A0A5K4F444_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F444, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 289 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
1M39.3Very low54Low218 Ų21865.3 Ų65.3100%1.07432%0.317SS*.  0-11.10-149.4167.982.800114.1
2M47.1Very low54.7Low89 Ų8968.5 Ų68.544%0.43833%0.331SS..Hα-helixtrans-82.8-31.2-173-110.4164.666.100116.2I4 F5 R6 K135M2-I4 VanDerWaalsContact C-N 3.31Å; M2-I4 PolarHBondContact O-N 3.07Å; M2-F5 PolarHBondContact O-N 3.23Å; M2-R6 WeakPolarHBondContact O-CD 3.33Å; M2-R6 WeakPolarHBondContact O-CG 2.97Å; M2-R6 PolarHBondContact O-NE 3.09Å; M2-K135 HydrophobicContact CE-CD 3.46Å; M2-K135 VanDerWaalsContact CE-CD 3.46Å
3I47.1Very low55.1Low56 Ų5665.2 Ų65.229%0.28732%0.315SS..Hα-helixtrans-63.2-38-178.8-71.2136.8000112F5 R6 C7 D42I3-F5 VanDerWaalsContact C-N 3.34Å; I3-F5 PolarHBondContact O-N 3.38Å; I3-R6 WeakPolarHBondContact O-CB 3.33Å; I3-R6 PolarHBondContact O-N 2.85Å; I3-C7 VanDerWaalsContact O-CB 3.27Å; I3-C7 WeakPolarHBondContact O-CB 3.2Å; I3-C7 PolarHBondContact O-N 3.27Å; I3-D42 WeakPolarHBondContact CD1-OD1 3.49Å; I3-D42 WeakPolarHBondContact CG1-OD1 3.46Å; I3-D42 VanDerWaalsContact CG2-OD1 3.29Å; I3-D42 WeakPolarHBondContact CG2-OD1 3.47Å
4I45.2Very low55.7Low49 Ų4960.7 Ų60.725%0.25129%0.293SS..Hα-helixtrans-61.2-41.3-177.5-63.7170.4000111.9M2 L8 R40M2-I4 VanDerWaalsContact C-N 3.31Å; M2-I4 PolarHBondContact O-N 3.07Å; I4-L8 HydrophobicContact CG2-CD1 4.22Å; I4-L8 PolarHBondContact O-N 3.28Å; I4-L8 VanDerWaalsContact O-N 3.08Å; I4-R40 HydrophobicContact CD1-CB 4.11Å; I4-R40 HydrophobicContact CD1-CG 4.39Å; I4-R40 HydrophobicContact CG1-CB 3.84Å; I4-R40 HydrophobicContact CG1-CG 4.05Å; I4-R40 HydrophobicContact CG2-CG 4.04Å
5F50.6Low56.1Low154 Ų15463.3 Ų63.368%0.67531%0.305SS*.Hα-helixtrans-69.8-35.4-180-145.3-85.7000111.9M2 I3 L8 L9M2-F5 PolarHBondContact O-N 3.23Å; I3-F5 VanDerWaalsContact C-N 3.34Å; I3-F5 PolarHBondContact O-N 3.38Å; F5-L8 WeakPolarHBondContact O-CB 3.36Å; F5-L8 PolarHBondContact O-N 3.24Å; F5-L9 HydrophobicContact CD1-CD1 4.34Å; F5-L9 PolarHBondContact O-N 3.19Å; F5-L9 VanDerWaalsContact O-N 3.15Å
6R58.9Low56.2Low22 Ų2264.9 Ų64.98%0.08332%0.315CS..Hα-helixtrans-69-43.2178.3-62161.9-169-138.9-44.9112.1M2 I3 L8 L9 L10 E109 K135 D138M2-R6 WeakPolarHBondContact O-CD 3.33Å; M2-R6 WeakPolarHBondContact O-CG 2.97Å; M2-R6 PolarHBondContact O-NE 3.09Å; I3-R6 WeakPolarHBondContact O-CB 3.33Å; I3-R6 PolarHBondContact O-N 2.85Å; R6-L8 VanDerWaalsContact C-N 3.3Å; R6-L8 PolarHBondContact O-N 3.26Å; R6-L9 PolarHBondContact O-N 3.4Å; R6-L10 PolarHBondContact O-N 3.14Å; R6-E109 IonicContact NH1-OE1 2.75Å; R6-K135 VanDerWaalsContact CZ-NZ 3.3Å; R6-K135 VanDerWaalsContact NH2-CD 3.35Å; R6-D138 VanDerWaalsContact CZ-CG 3.44Å; R6-D138 IonicContact CZ-OD1 3.97Å; R6-D138 IonicContact CZ-OD2 2.79Å; R6-D138 IonicContact NE-OD2 3.41Å; R6-D138 PolarHBondContact NE-OD2 3.14Å; R6-D138 IonicContact NH1-OD1 2.63Å; R6-D138 PolarHBondContact NH1-OD1 2.84Å; R6-D138 IonicContact NH1-OD2 3.05Å; R6-D138 PolarHBondContact NH1-OD2 3.06Å; R6-D138 VanDerWaalsContact NH2-CG 3.33Å; R6-D138 IonicContact NH2-OD1 3.23Å; R6-D138 PolarHBondContact NH2-OD1 3.13Å; R6-D138 IonicContact NH2-OD2 3.39Å; R6-D138 PolarHBondContact NH2-OD2 3.37Å
7C58.7Low56.2Low1 Ų161.2 Ų61.21%0.00730%0.297CS..Hα-helixtrans-58.8-41.5173.2-100.10000111.3I3 L10 L11 F37 C45I3-C7 VanDerWaalsContact O-CB 3.27Å; I3-C7 WeakPolarHBondContact O-CB 3.2Å; I3-C7 PolarHBondContact O-N 3.27Å; C7-L10 PolarHBondContact O-N 2.94Å; C7-L11 WeakPolarHBondContact O-CB 3.29Å; C7-L11 PolarHBondContact O-N 3.23Å; C7-F37 VanDerWaalsContact C-CE1 3.42Å; C7-F37 VanDerWaalsContact CA-CZ 3.44Å; C7-F37 HydrophobicContact CB-CE1 3.3Å; C7-F37 HydrophobicContact CB-CE2 4.08Å; C7-F37 HydrophobicContact CB-CZ 3.05Å; C7-F37 VanDerWaalsContact O-CE1 3.25Å; C7-F37 WeakPolarHBondContact O-CE1 3.39Å; C7-F37 VanDerWaalsContact O-CZ 3.29Å; C7-F37 WeakPolarHBondContact O-CZ 3.49Å; C7-F37 VanDerWaalsContact SG-CE2 3.56Å; C7-F37 WeakPolarHBondContact SG-CZ 3.22Å; C7-C45 WeakPolarHBondContact CA-SG 3.27Å; C7-C45 WeakPolarHBondContact CB-SG 3.3Å; C7-C45 WeakPolarHBondContact SG-CA 3.49Å; C7-C45 WeakPolarHBondContact SG-CB 3.35Å; C7-C45 CovalentContact SG-SG 2.03Å; C7-C45 PolarHBondContact SG-SG 3.27Å
8L59.6Low56.2Low71 Ų7160.9 Ų60.937%0.37229%0.292SS..Hα-helixtrans-63.4-44.6175.5-97.3150.9000112.9I4 F5 R6 L10 L11 E12I4-L8 HydrophobicContact CG2-CD1 4.22Å; I4-L8 PolarHBondContact O-N 3.28Å; I4-L8 VanDerWaalsContact O-N 3.08Å; F5-L8 WeakPolarHBondContact O-CB 3.36Å; F5-L8 PolarHBondContact O-N 3.24Å; R6-L8 VanDerWaalsContact C-N 3.3Å; R6-L8 PolarHBondContact O-N 3.26Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.15Å; L8-L11 WeakPolarHBondContact O-CB 3.25Å; L8-L11 PolarHBondContact O-N 3.02Å; L8-L11 VanDerWaalsContact O-N 3.13Å; L8-E12 PolarHBondContact O-N 3.32Å
9L61.5Low55.9Low31 Ų3164.3 Ų64.316%0.16232%0.317CS..Hα-helixtrans-60.2-42.9173.9-91.7152.7000112.3F5 R6 L11 E12 F13F5-L9 HydrophobicContact CD1-CD1 4.34Å; F5-L9 PolarHBondContact O-N 3.19Å; F5-L9 VanDerWaalsContact O-N 3.15Å; R6-L9 PolarHBondContact O-N 3.4Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.18Å; L9-E12 PolarHBondContact O-N 3.36Å; L9-F13 VanDerWaalsContact O-CB 3.32Å; L9-F13 WeakPolarHBondContact O-CB 2.82Å; L9-F13 PolarHBondContact O-N 2.96Å
10L62.6Low55.5Low2 Ų266 Ų661%0.0132%0.324CS..Hα-helixtrans-65.3-33175.4-118.4157.2000111.8R6 C7 L8 L14 L48 V49 L52 L189 I191R6-L10 PolarHBondContact O-N 3.14Å; C7-L10 PolarHBondContact O-N 2.94Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.15Å; L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 PolarHBondContact O-N 3.14Å; L10-L48 VanDerWaalsContact C-CD2 3.43Å; L10-L48 HydrophobicContact CB-CD2 3.77Å; L10-L48 HydrophobicContact CD2-CD2 4.26Å; L10-V49 HydrophobicContact CD1-CG2 3.75Å; L10-V49 HydrophobicContact CD2-CG2 4.44Å; L10-L52 HydrophobicContact CD2-CD1 4.06Å; L10-L52 HydrophobicContact CD2-CD2 4.49Å; L10-L189 HydrophobicContact CD1-CD2 4.49Å; L10-I191 HydrophobicContact CD1-CD1 3.54Å; L10-I191 HydrophobicContact CG-CD1 4.26Å
11L63.2Low55Low25 Ų2566.7 Ų66.713%0.13133%0.329CS..Hα-helixtrans-71.1-44.4175-162.782.9000111.8C7 L8 L9 F13 L14 Q15 I34 F37 L48C7-L11 WeakPolarHBondContact O-CB 3.29Å; C7-L11 PolarHBondContact O-N 3.23Å; L8-L11 WeakPolarHBondContact O-CB 3.25Å; L8-L11 PolarHBondContact O-N 3.02Å; L8-L11 VanDerWaalsContact O-N 3.13Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.18Å; L11-F13 VanDerWaalsContact C-N 3.31Å; L11-L14 WeakPolarHBondContact O-CB 3.09Å; L11-L14 PolarHBondContact O-N 2.87Å; L11-Q15 WeakPolarHBondContact O-CB 3.32Å; L11-Q15 WeakPolarHBondContact O-CG 3.4Å; L11-Q15 PolarHBondContact O-N 3.35Å; L11-I34 HydrophobicContact CD1-CG1 4.17Å; L11-I34 HydrophobicContact CD1-CG2 4.31Å; L11-F37 HydrophobicContact CB-CE1 4.29Å; L11-F37 HydrophobicContact CD1-CD1 4.11Å; L11-F37 HydrophobicContact CD1-CE1 4.32Å; L11-F37 HydrophobicContact CD1-CG 4.35Å; L11-F37 HydrophobicContact CD2-CD1 4.47Å; L11-L48 HydrophobicContact CB-CD2 4.15Å; L11-L48 HydrophobicContact CD1-CD1 3.76Å; L11-L48 HydrophobicContact CD1-CD2 4.04Å
12E63Low55.3Low104 Ų10457.8 Ų57.849%0.48629%0.286SS..Hα-helixtrans-60.2-43.6172.6-76.9-176.6164.900110.7L8 L9 L14 Q15 L16L8-E12 PolarHBondContact O-N 3.32Å; L9-E12 PolarHBondContact O-N 3.36Å; E12-L14 VanDerWaalsContact C-N 3.31Å; E12-L14 PolarHBondContact O-N 3.29Å; E12-Q15 PolarHBondContact O-N 3.02Å; E12-L16 PolarHBondContact O-N 3.12Å
13F59.9Low55.2Low26 Ų2660 Ų6011%0.11430%0.3CS..Hα-helixtrans-58.2-44.2174-173.5-86.4000111.8L9 L11 L16 L17 L52 F279L9-F13 VanDerWaalsContact O-CB 3.32Å; L9-F13 WeakPolarHBondContact O-CB 2.82Å; L9-F13 PolarHBondContact O-N 2.96Å; L11-F13 VanDerWaalsContact C-N 3.31Å; F13-L16 PolarHBondContact O-N 3.02Å; F13-L17 HydrophobicContact CD1-CD1 3.64Å; F13-L17 HydrophobicContact CD1-CG 4.34Å; F13-L17 HydrophobicContact CE1-CD1 3.31Å; F13-L17 HydrophobicContact CE1-CG 4.13Å; F13-L17 HydrophobicContact CZ-CD1 4.26Å; F13-L17 PolarHBondContact O-N 3.44Å; F13-L52 HydrophobicContact CD1-CD1 3.19Å; F13-L52 HydrophobicContact CD1-CG 4.45Å; F13-L52 HydrophobicContact CE1-CD1 3.17Å; F13-L52 HydrophobicContact CE1-CD2 4.28Å; F13-L52 HydrophobicContact CE1-CG 4.05Å; F13-L52 HydrophobicContact CG-CD1 4.43Å; F13-L52 HydrophobicContact CZ-CD1 4.42Å; F13-F279 HydrophobicContact CD2-CB 4.5Å; F13-F279 AromaticContact CD2-CD1 3.4Å; F13-F279 HydrophobicContact CD2-CD1 3.4Å; F13-F279 VanDerWaalsContact CD2-CD1 3.4Å; F13-F279 HydrophobicContact CD2-CD2 4.11Å; F13-F279 AromaticContact CD2-CE1 3.49Å; F13-F279 HydrophobicContact CD2-CE1 3.49Å; F13-F279 VanDerWaalsContact CD2-CE1 3.49Å; F13-F279 HydrophobicContact CD2-CE2 4.25Å; F13-F279 AromaticContact CD2-CG 3.77Å; F13-F279 HydrophobicContact CD2-CG 3.77Å; F13-F279 AromaticContact CD2-CZ 3.96Å; F13-F279 HydrophobicContact CD2-CZ 3.96Å; F13-F279 HydrophobicContact CE1-CE2 4.36Å; F13-F279 HydrophobicContact CE1-CZ 4.34Å; F13-F279 HydrophobicContact CE2-CB 4Å; F13-F279 AromaticContact CE2-CD1 3.42Å; F13-F279 HydrophobicContact CE2-CD1 3.42Å; F13-F279 VanDerWaalsContact CE2-CD1 3.42Å; F13-F279 AromaticContact CE2-CD2 3.24Å; F13-F279 HydrophobicContact CE2-CD2 3.24Å; F13-F279 AromaticContact CE2-CE1 3.6Å; F13-F279 HydrophobicContact CE2-CE1 3.6Å; F13-F279 AromaticContact CE2-CE2 3.49Å; F13-F279 HydrophobicContact CE2-CE2 3.49Å; F13-F279 VanDerWaalsContact CE2-CE2 3.49Å; F13-F279 AromaticContact CE2-CG 3.27Å; F13-F279 HydrophobicContact CE2-CG 3.27Å; F13-F279 AromaticContact CE2-CZ 3.67Å; F13-F279 HydrophobicContact CE2-CZ 3.67Å; F13-F279 HydrophobicContact CG-CD1 4.4Å; F13-F279 HydrophobicContact CG-CE1 4.09Å; F13-F279 HydrophobicContact CG-CZ 4.43Å; F13-F279 HydrophobicContact CZ-CD1 4.41Å; F13-F279 AromaticContact CZ-CD2 3.68Å; F13-F279 HydrophobicContact CZ-CD2 3.68Å; F13-F279 HydrophobicContact CZ-CE1 4.25Å; F13-F279 AromaticContact CZ-CE2 3.55Å; F13-F279 HydrophobicContact CZ-CE2 3.55Å; F13-F279 HydrophobicContact CZ-CG 4.17Å; F13-F279 AromaticContact CZ-CZ 3.87Å; F13-F279 HydrophobicContact CZ-CZ 3.87Å
14L63.3Low54.9Low2 Ų262.3 Ų62.31%0.0132%0.316CS..Hα-helixtrans-66-42176.8-106154.4000112.6L10 L11 E12 L16 L17 Y18 L48 L51 L52 I55L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 PolarHBondContact O-N 3.14Å; L11-L14 WeakPolarHBondContact O-CB 3.09Å; L11-L14 PolarHBondContact O-N 2.87Å; E12-L14 VanDerWaalsContact C-N 3.31Å; E12-L14 PolarHBondContact O-N 3.29Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L17 PolarHBondContact O-N 3.31Å; L14-Y18 VanDerWaalsContact O-CB 3.3Å; L14-Y18 WeakPolarHBondContact O-CB 3.48Å; L14-Y18 PolarHBondContact O-N 2.92Å; L14-L48 HydrophobicContact CD1-CB 4.33Å; L14-L48 HydrophobicContact CD1-CD2 3.3Å; L14-L48 HydrophobicContact CD1-CG 3.45Å; L14-L48 VanDerWaalsContact CD1-CG 3.45Å; L14-L51 HydrophobicContact CD1-CB 4.36Å; L14-L51 HydrophobicContact CD1-CD2 3.91Å; L14-L51 HydrophobicContact CD1-CG 4.31Å; L14-L51 HydrophobicContact CD2-CD2 3.53Å; L14-L51 HydrophobicContact CD2-CG 3.75Å; L14-L51 HydrophobicContact CG-CD2 4.39Å; L14-L52 HydrophobicContact CG-CD1 4.35Å; L14-I55 HydrophobicContact CD2-CD1 3.28Å
15Q61.9Low54.7Low100 Ų10070.1 Ų70.147%0.46734%0.344SS..Hα-helixtrans-62.4-41.2176-77179.1-16.200111.5L11 E12 Y18 V19L11-Q15 WeakPolarHBondContact O-CB 3.32Å; L11-Q15 WeakPolarHBondContact O-CG 3.4Å; L11-Q15 PolarHBondContact O-N 3.35Å; E12-Q15 PolarHBondContact O-N 3.02Å; Q15-Y18 WeakPolarHBondContact O-CB 3.33Å; Q15-Y18 PolarHBondContact O-N 3.25Å; Q15-Y18 VanDerWaalsContact O-N 3.14Å; Q15-V19 WeakPolarHBondContact O-CG2 3.47Å; Q15-V19 PolarHBondContact O-N 3.41Å
16L57.8Low54.5Low89 Ų8964 Ų6447%0.46632%0.322SS..Hα-helixtrans-61.2-46.6173.5-90.5151.9000112.2E12 F13 L14 Y18 V19 E20 F279E12-L16 PolarHBondContact O-N 3.12Å; F13-L16 PolarHBondContact O-N 3.02Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L16-Y18 PolarHBondContact O-N 2.82Å; L16-V19 PolarHBondContact O-N 3.21Å; L16-E20 PolarHBondContact O-N 2.94Å; L16-F279 HydrophobicContact CB-CE1 3.93Å; L16-F279 HydrophobicContact CB-CZ 4.48Å; L16-F279 HydrophobicContact CD1-CE1 4.32Å
17L56.5Low53.7Low2 Ų266.4 Ų66.41%0.0134%0.336CS..Hα-helixtrans-60.4-33.3173.4-78.9172000112.9F13 L14 L52 I55 L275 F279F13-L17 HydrophobicContact CD1-CD1 3.64Å; F13-L17 HydrophobicContact CD1-CG 4.34Å; F13-L17 HydrophobicContact CE1-CD1 3.31Å; F13-L17 HydrophobicContact CE1-CG 4.13Å; F13-L17 HydrophobicContact CZ-CD1 4.26Å; F13-L17 PolarHBondContact O-N 3.44Å; L14-L17 PolarHBondContact O-N 3.31Å; L17-L52 HydrophobicContact CD1-CD1 4.07Å; L17-I55 HydrophobicContact CD1-CG2 4.23Å; L17-L275 HydrophobicContact CD2-CD2 3.49Å; L17-L275 VanDerWaalsContact CD2-CD2 3.49Å; L17-F279 HydrophobicContact CD2-CE2 4.28Å; L17-F279 HydrophobicContact CD2-CZ 4.07Å; L17-F279 HydrophobicContact CG-CZ 3.95Å
18Y54.8Low53Low55 Ų5574.6 Ų74.622%0.21637%0.373CS..Hα-helixtrans-69.3-43.5-179.7-146.4-98.3000112.4L14 Q15 L16 E20 L27 S30L14-Y18 VanDerWaalsContact O-CB 3.3Å; L14-Y18 WeakPolarHBondContact O-CB 3.48Å; L14-Y18 PolarHBondContact O-N 2.92Å; Q15-Y18 WeakPolarHBondContact O-CB 3.33Å; Q15-Y18 PolarHBondContact O-N 3.25Å; Q15-Y18 VanDerWaalsContact O-N 3.14Å; L16-Y18 PolarHBondContact O-N 2.82Å; Y18-E20 VanDerWaalsContact C-N 3.35Å; Y18-L27 HydrophobicContact CE1-CD2 4.18Å; Y18-L27 HydrophobicContact CE1-CG 4.21Å; Y18-L27 WeakPolarHBondContact OH-CA 3.3Å; Y18-L27 WeakPolarHBondContact OH-CD2 3.32Å; Y18-L27 WeakPolarHBondContact OH-CG 3.43Å; Y18-S30 VanDerWaalsContact CE2-OG 3.28Å; Y18-S30 WeakPolarHBondContact CE2-OG 3.22Å; Y18-S30 PolarHBondContact OH-OG 3.05Å
19V50.7Low52.3Low126 Ų12678.4 Ų78.476%0.76439%0.389SS*.Hα-helixtrans-69.1-35.4-177.2171.60000111.1Q15 L16Q15-V19 WeakPolarHBondContact O-CG2 3.47Å; Q15-V19 PolarHBondContact O-N 3.41Å; L16-V19 PolarHBondContact O-N 3.21Å
20E48Very low51.7Low97 Ų9777 Ų7745%0.45338%0.382SS..Hα-helixtrans-83.8-26.5-173.5-72.4-169.4153.200115L16 Y18 N278L16-E20 PolarHBondContact O-N 2.94Å; Y18-E20 VanDerWaalsContact C-N 3.35Å; E20-N278 PolarHBondContact OE2-ND2 2.89Å; E20-N278 VanDerWaalsContact OE2-ND2 3.12Å
21N46.4Very low51.1Low82 Ų8282.5 Ų82.544%0.43941%0.407SS..Hα-helixtrans-15615.5-152.7-88.3-57.5000121.1K59N21-K59 PolarHBondContact ND2-NZ 3.4Å
22L45.3Very low50.4Low30 Ų3089.4 Ų89.416%0.15743%0.433CS..  trans-128.2108.4-179.7-84.5157.9000115.2V24 A26 I55 Y58L22-V24 PolarHBondContact O-N 2.84Å; L22-A26 HydrophobicContact CD1-CB 3.97Å; L22-A26 HydrophobicContact CD2-CB 4.19Å; L22-A26 HydrophobicContact CG-CB 4.48Å; L22-I55 HydrophobicContact CD1-CD1 4.11Å; L22-I55 HydrophobicContact CD1-CG1 3.9Å; L22-I55 HydrophobicContact CD1-CG2 4.05Å; L22-Y58 HydrophobicContact CD2-CD1 3.49Å; L22-Y58 VanDerWaalsContact CD2-CD1 3.49Å; L22-Y58 HydrophobicContact CD2-CE1 3.56Å; L22-Y58 HydrophobicContact CD2-CG 4.27Å
23N43.3Very low49.9Very low137 Ų13785.9 Ų85.973%0.73342%0.417SS*.  trans-66.6112.4159.5-91.9-21.2000110.2Y25N23-Y25 VanDerWaalsContact C-N 3.29Å; N23-Y25 PolarHBondContact O-N 3.45Å
24V42.3Very low49.6Very low104 Ų10486.8 Ų86.863%0.6342%0.422SS*.SBendtrans55.1-31.7147.6-1670000120.5L22 L27L22-V24 PolarHBondContact O-N 2.84Å; V24-L27 WeakPolarHBondContact O-CB 3.38Å
25Y40.5Very low49Very low213 Ų21390.6 Ų90.684%0.83545%0.446SS*.SBendtrans-85.6-28.1-173.4-106.1-84.7000115.3N23 L27N23-Y25 VanDerWaalsContact C-N 3.29Å; N23-Y25 PolarHBondContact O-N 3.45Å; Y25-L27 PolarHBondContact O-N 3.46Å
26A45.7Very low48.4Very low25 Ų2587.4 Ų87.421%0.20744%0.435CS..SBendtrans-71.9-20.5172.600000112.3L22 H28 H29 S30L22-A26 HydrophobicContact CD1-CB 3.97Å; L22-A26 HydrophobicContact CD2-CB 4.19Å; L22-A26 HydrophobicContact CG-CB 4.48Å; A26-H28 PolarHBondContact O-N 3.36Å; A26-H29 PolarHBondContact O-N 3.13Å; A26-S30 VanDerWaalsContact O-CB 3.22Å; A26-S30 WeakPolarHBondContact O-CB 3.19Å; A26-S30 PolarHBondContact O-N 2.89Å; A26-S30 PolarHBondContact O-OG 3.36Å
27L43Very low48.2Very low72 Ų7284 Ų8438%0.37742%0.416SS..Hα-helixtrans-63.9-35.4-162.2-105.9138000115.1Y18 V24 Y25 S30 H31Y18-L27 HydrophobicContact CE1-CD2 4.18Å; Y18-L27 HydrophobicContact CE1-CG 4.21Å; Y18-L27 WeakPolarHBondContact OH-CA 3.3Å; Y18-L27 WeakPolarHBondContact OH-CD2 3.32Å; Y18-L27 WeakPolarHBondContact OH-CG 3.43Å; V24-L27 WeakPolarHBondContact O-CB 3.38Å; Y25-L27 PolarHBondContact O-N 3.46Å; L27-S30 WeakPolarHBondContact CA-OG 3.46Å; L27-S30 PolarHBondContact O-OG 3.15Å; L27-S30 VanDerWaalsContact O-OG 3.13Å; L27-H31 WeakPolarHBondContact O-CB 3.38Å; L27-H31 PolarHBondContact O-N 3.49Å
28H42.9Very low47.9Very low173 Ų17388 Ų8880%0.80145%0.449SS*.Hα-helixtrans-79.6-36.9-176.4-96-66.2000113.4A26A26-H28 PolarHBondContact O-N 3.36Å
29H45Very low47.8Very low152 Ų15288.4 Ų88.470%0.70446%0.464SS*.Hα-helixtrans-82.4-35.1177.1-95.3-30.4000112.8A26 Y32 I33A26-H29 PolarHBondContact O-N 3.13Å; H29-Y32 PolarHBondContact O-N 3.21Å; H29-I33 VanDerWaalsContact O-CG1 3.29Å; H29-I33 WeakPolarHBondContact O-CG1 3.33Å; H29-I33 PolarHBondContact O-N 3.08Å; H29-I33 VanDerWaalsContact O-N 3.15Å
30S50.2Low48.3Very low1 Ų189.3 Ų89.31%0.00745%0.454CS..Hα-helixtrans-63.1-41.8176.457.30000111.8Y18 A26 L27 Y32 I33 I34Y18-S30 VanDerWaalsContact CE2-OG 3.28Å; Y18-S30 WeakPolarHBondContact CE2-OG 3.22Å; Y18-S30 PolarHBondContact OH-OG 3.05Å; A26-S30 VanDerWaalsContact O-CB 3.22Å; A26-S30 WeakPolarHBondContact O-CB 3.19Å; A26-S30 PolarHBondContact O-N 2.89Å; A26-S30 PolarHBondContact O-OG 3.36Å; L27-S30 WeakPolarHBondContact CA-OG 3.46Å; L27-S30 PolarHBondContact O-OG 3.15Å; L27-S30 VanDerWaalsContact O-OG 3.13Å; S30-Y32 VanDerWaalsContact C-N 3.33Å; S30-Y32 PolarHBondContact O-N 3.39Å; S30-I33 PolarHBondContact O-N 2.92Å; S30-I34 WeakPolarHBondContact O-CB 3.44Å; S30-I34 WeakPolarHBondContact O-CD1 3.35Å; S30-I34 WeakPolarHBondContact O-CG1 3.24Å; S30-I34 PolarHBondContact O-N 3.24Å
31H48.5Very low48.9Very low117 Ų11787.7 Ų87.754%0.54245%0.451SS..Hα-helixtrans-62.7-41.8-178.2-142.284000111.3L27 I34 T35L27-H31 WeakPolarHBondContact O-CB 3.38Å; L27-H31 PolarHBondContact O-N 3.49Å; H31-I34 PolarHBondContact O-N 2.99Å; H31-T35 WeakPolarHBondContact O-CG2 3.14Å; H31-T35 PolarHBondContact O-N 2.83Å; H31-T35 PolarHBondContact O-OG1 3.36Å
32Y50.2Low49.6Very low171 Ų17187.9 Ų87.967%0.67145%0.452SS*.Hα-helixtrans-66.5-37176.6-158.8-89.3000112.5H29 S30 T35 S36H29-Y32 PolarHBondContact O-N 3.21Å; S30-Y32 VanDerWaalsContact C-N 3.33Å; S30-Y32 PolarHBondContact O-N 3.39Å; Y32-T35 WeakPolarHBondContact CA-OG1 3.39Å; Y32-T35 PolarHBondContact O-OG1 3.41Å; Y32-S36 WeakPolarHBondContact O-CB 3.35Å; Y32-S36 PolarHBondContact O-N 2.88Å; Y32-S36 PolarHBondContact O-OG 3.37Å
33I51.2Low50.6Low30 Ų3093.1 Ų93.115%0.15448%0.475CS..Hα-helixtrans-69.6-44.9177.5-67.1167.2000110.3H29 S30 T35 S36 F37 K47 L48 L51H29-I33 VanDerWaalsContact O-CG1 3.29Å; H29-I33 WeakPolarHBondContact O-CG1 3.33Å; H29-I33 PolarHBondContact O-N 3.08Å; H29-I33 VanDerWaalsContact O-N 3.15Å; S30-I33 PolarHBondContact O-N 2.92Å; I33-T35 PolarHBondContact O-N 3.33Å; I33-S36 WeakPolarHBondContact CA-OG 3.46Å; I33-S36 PolarHBondContact O-N 3.17Å; I33-S36 PolarHBondContact O-OG 3.46Å; I33-F37 PolarHBondContact O-N 3.4Å; I33-F37 VanDerWaalsContact O-N 3.13Å; I33-K47 HydrophobicContact CG2-CB 4.19Å; I33-L48 HydrophobicContact CG2-CD1 4.01Å; I33-L51 HydrophobicContact CD1-CB 4.39Å; I33-L51 HydrophobicContact CD1-CD1 4.34Å; I33-L51 HydrophobicContact CD1-CD2 4.45Å; I33-L51 HydrophobicContact CG2-CD2 4.32Å
34I53.7Low51.6Low44 Ų4486.8 Ų86.823%0.22644%0.442CS..Hα-helixtrans-61.9-42.4177.5-68164.8000110.8L11 S30 H31 F37L11-I34 HydrophobicContact CD1-CG1 4.17Å; L11-I34 HydrophobicContact CD1-CG2 4.31Å; S30-I34 WeakPolarHBondContact O-CB 3.44Å; S30-I34 WeakPolarHBondContact O-CD1 3.35Å; S30-I34 WeakPolarHBondContact O-CG1 3.24Å; S30-I34 PolarHBondContact O-N 3.24Å; H31-I34 PolarHBondContact O-N 2.99Å; I34-F37 WeakPolarHBondContact O-CB 3.18Å; I34-F37 PolarHBondContact O-N 3.31Å
35T51.1Low52.8Low83 Ų8382 Ų8251%0.50941%0.413SS..Hα-helixtrans-73.2-36.4176.8540000112.8H31 Y32 I33 F37 A38H31-T35 WeakPolarHBondContact O-CG2 3.14Å; H31-T35 PolarHBondContact O-N 2.83Å; H31-T35 PolarHBondContact O-OG1 3.36Å; Y32-T35 WeakPolarHBondContact CA-OG1 3.39Å; Y32-T35 PolarHBondContact O-OG1 3.41Å; I33-T35 PolarHBondContact O-N 3.33Å; T35-F37 PolarHBondContact O-N 2.82Å; T35-F37 VanDerWaalsContact O-N 3.17Å; T35-A38 WeakPolarHBondContact O-CB 3.28Å; T35-A38 PolarHBondContact O-N 2.87Å
36S49.7Very low54.2Low33 Ų3374.9 Ų74.923%0.23139%0.389CS..Hα-helixtrans-63.7-19.4174.374.80000113.3Y32 I33 A38 A39Y32-S36 WeakPolarHBondContact O-CB 3.35Å; Y32-S36 PolarHBondContact O-N 2.88Å; Y32-S36 PolarHBondContact O-OG 3.37Å; I33-S36 WeakPolarHBondContact CA-OG 3.46Å; I33-S36 PolarHBondContact O-N 3.17Å; I33-S36 PolarHBondContact O-OG 3.46Å; S36-A38 PolarHBondContact O-N 3.18Å; S36-A38 VanDerWaalsContact O-N 3.17Å; S36-A39 WeakPolarHBondContact O-CB 3.35Å; S36-A39 PolarHBondContact O-N 2.93Å; S36-A39 VanDerWaalsContact O-N 3.13Å
37F52.5Low55.4Low16 Ų1678.4 Ų78.47%0.0740%0.4CS..G310 helixtrans-67-12.4178.4-144.6-113.2000114.5C7 L11 I33 I34 T35 A39 R40 S44 L48C7-F37 VanDerWaalsContact C-CE1 3.42Å; C7-F37 VanDerWaalsContact CA-CZ 3.44Å; C7-F37 HydrophobicContact CB-CE1 3.3Å; C7-F37 HydrophobicContact CB-CE2 4.08Å; C7-F37 HydrophobicContact CB-CZ 3.05Å; C7-F37 VanDerWaalsContact O-CE1 3.25Å; C7-F37 WeakPolarHBondContact O-CE1 3.39Å; C7-F37 VanDerWaalsContact O-CZ 3.29Å; C7-F37 WeakPolarHBondContact O-CZ 3.49Å; C7-F37 VanDerWaalsContact SG-CE2 3.56Å; C7-F37 WeakPolarHBondContact SG-CZ 3.22Å; L11-F37 HydrophobicContact CB-CE1 4.29Å; L11-F37 HydrophobicContact CD1-CD1 4.11Å; L11-F37 HydrophobicContact CD1-CE1 4.32Å; L11-F37 HydrophobicContact CD1-CG 4.35Å; L11-F37 HydrophobicContact CD2-CD1 4.47Å; I33-F37 PolarHBondContact O-N 3.4Å; I33-F37 VanDerWaalsContact O-N 3.13Å; I34-F37 WeakPolarHBondContact O-CB 3.18Å; I34-F37 PolarHBondContact O-N 3.31Å; T35-F37 PolarHBondContact O-N 2.82Å; T35-F37 VanDerWaalsContact O-N 3.17Å; F37-A39 PolarHBondContact O-N 3.04Å; F37-A39 VanDerWaalsContact O-N 3.13Å; F37-R40 PolarHBondContact O-N 3.23Å; F37-S44 WeakPolarHBondContact CE2-O 3.38Å; F37-L48 HydrophobicContact CD1-CD1 4.43Å; F37-L48 HydrophobicContact CD2-CD1 3.19Å; F37-L48 HydrophobicContact CD2-CG 4.4Å; F37-L48 HydrophobicContact CE1-CD1 4.29Å; F37-L48 HydrophobicContact CE2-CB 3.9Å; F37-L48 HydrophobicContact CE2-CD1 3.09Å; F37-L48 HydrophobicContact CE2-CD2 4.23Å; F37-L48 HydrophobicContact CE2-CG 3.88Å; F37-L48 HydrophobicContact CG-CD1 3.86Å; F37-L48 HydrophobicContact CZ-CB 4.37Å; F37-L48 HydrophobicContact CZ-CD1 3.62Å; F37-L48 HydrophobicContact CZ-CD2 4.02Å; F37-L48 HydrophobicContact CZ-CG 4.19Å
38A51.1Low56.7Low86 Ų8675 Ų7571%0.71138%0.382SS*.G310 helixtrans-53.9-28.7168.200000112.3T35 S36 R40T35-A38 WeakPolarHBondContact O-CB 3.28Å; T35-A38 PolarHBondContact O-N 2.87Å; S36-A38 PolarHBondContact O-N 3.18Å; S36-A38 VanDerWaalsContact O-N 3.17Å; A38-R40 VanDerWaalsContact C-N 3.27Å; A38-R40 PolarHBondContact O-N 2.84Å
39A52.7Low58.2Low64 Ų6466.7 Ų66.753%0.52934%0.344SS..G310 helixtrans-70.3-17.7178.900000114S36 F37 T41S36-A39 WeakPolarHBondContact O-CB 3.35Å; S36-A39 PolarHBondContact O-N 2.93Å; S36-A39 VanDerWaalsContact O-N 3.13Å; F37-A39 PolarHBondContact O-N 3.04Å; F37-A39 VanDerWaalsContact O-N 3.13Å; A39-T41 HydrophobicContact CB-CG2 4.27Å; A39-T41 VanDerWaalsContact O-CG2 3.31Å; A39-T41 WeakPolarHBondContact O-CG2 3.47Å; A39-T41 PolarHBondContact O-N 3.44Å
40R60.6Low59.6Low145 Ų14563 Ų6355%0.54732%0.323SS..  trans54.530171-80.9-179-178.5-164.34114.7I4 F37 A38I4-R40 HydrophobicContact CD1-CB 4.11Å; I4-R40 HydrophobicContact CD1-CG 4.39Å; I4-R40 HydrophobicContact CG1-CB 3.84Å; I4-R40 HydrophobicContact CG1-CG 4.05Å; I4-R40 HydrophobicContact CG2-CG 4.04Å; F37-R40 PolarHBondContact O-N 3.23Å; A38-R40 VanDerWaalsContact C-N 3.27Å; A38-R40 PolarHBondContact O-N 2.84Å
41T60.8Low60.7Low64 Ų6463.4 Ų63.439%0.39333%0.326SS..  trans-95.9158.8-178.961.90000112.5A39 Q43 S44 C45A39-T41 HydrophobicContact CB-CG2 4.27Å; A39-T41 VanDerWaalsContact O-CG2 3.31Å; A39-T41 WeakPolarHBondContact O-CG2 3.47Å; A39-T41 PolarHBondContact O-N 3.44Å; T41-Q43 PolarHBondContact O-N 3.05Å; T41-S44 WeakPolarHBondContact O-CA 3.39Å; T41-S44 WeakPolarHBondContact O-CB 3.48Å; T41-S44 PolarHBondContact O-N 3.25Å; T41-S44 PolarHBondContact OG1-N 3.32Å; T41-S44 PolarHBondContact OG1-OG 2.81Å; T41-C45 PolarHBondContact O-N 3.45Å
42D61.2Low61.9Low86 Ų8657.9 Ų57.946%0.4630%0.3SS..Hα-helixtrans-53-41.1173.4-69.5-37.4000112.3I3 S44 C45 L46I3-D42 WeakPolarHBondContact CD1-OD1 3.49Å; I3-D42 WeakPolarHBondContact CG1-OD1 3.46Å; I3-D42 VanDerWaalsContact CG2-OD1 3.29Å; I3-D42 WeakPolarHBondContact CG2-OD1 3.47Å; D42-S44 PolarHBondContact O-N 3.13Å; D42-C45 WeakPolarHBondContact O-CB 3.19Å; D42-C45 PolarHBondContact O-N 2.77Å; D42-C45 VanDerWaalsContact O-N 3.08Å; D42-L46 PolarHBondContact O-N 3.33Å
43Q67.1Low63.2Low139 Ų13949.9 Ų49.965%0.6527%0.269SS*.Hα-helixtrans-62.5-31.3177.5-144.9173.78.900112.4T41 K47T41-Q43 PolarHBondContact O-N 3.05Å; Q43-K47 WeakPolarHBondContact O-CG 3.31Å; Q43-K47 PolarHBondContact O-N 3.18Å; Q43-K47 VanDerWaalsContact O-N 3.15Å
44S64.3Low64.3Low5 Ų551 Ų514%0.03528%0.275CS..Hα-helixtrans-69.9-42.4173.8-510000110.8F37 T41 D42 K47 L48F37-S44 WeakPolarHBondContact CE2-O 3.38Å; T41-S44 WeakPolarHBondContact O-CA 3.39Å; T41-S44 WeakPolarHBondContact O-CB 3.48Å; T41-S44 PolarHBondContact O-N 3.25Å; T41-S44 PolarHBondContact OG1-N 3.32Å; T41-S44 PolarHBondContact OG1-OG 2.81Å; D42-S44 PolarHBondContact O-N 3.13Å; S44-K47 WeakPolarHBondContact O-CB 3.43Å; S44-K47 PolarHBondContact O-N 2.84Å; S44-L48 PolarHBondContact O-N 2.94Å
45C66.4Low65.2Low4 Ų449.1 Ų49.13%0.02727%0.265CS..Hα-helixtrans-59.8-45.8174.4-112.10000111.8C7 T41 D42 K47 L48 V49C7-C45 WeakPolarHBondContact CA-SG 3.27Å; C7-C45 WeakPolarHBondContact CB-SG 3.3Å; C7-C45 WeakPolarHBondContact SG-CA 3.49Å; C7-C45 WeakPolarHBondContact SG-CB 3.35Å; C7-C45 CovalentContact SG-SG 2.03Å; C7-C45 PolarHBondContact SG-SG 3.27Å; T41-C45 PolarHBondContact O-N 3.45Å; D42-C45 WeakPolarHBondContact O-CB 3.19Å; D42-C45 PolarHBondContact O-N 2.77Å; D42-C45 VanDerWaalsContact O-N 3.08Å; C45-K47 VanDerWaalsContact C-N 3.33Å; C45-K47 PolarHBondContact O-N 3.4Å; C45-L48 WeakPolarHBondContact O-CA 3.14Å; C45-L48 VanDerWaalsContact O-CB 3.31Å; C45-L48 WeakPolarHBondContact O-CB 3.36Å; C45-L48 PolarHBondContact O-N 3.17Å; C45-V49 PolarHBondContact O-N 3.48Å
46L69.3Low66.2Low62 Ų6245.9 Ų45.933%0.32525%0.245SC..Hα-helixtrans-61.2-40.2177.3-70.8172.9000112.5D42 L48 V49 R50 I105 Y140D42-L46 PolarHBondContact O-N 3.33Å; L46-L48 PolarHBondContact O-N 2.93Å; L46-V49 PolarHBondContact O-N 3.47Å; L46-R50 PolarHBondContact O-N 3.46Å; L46-I105 HydrophobicContact CD2-CB 3.92Å; L46-I105 HydrophobicContact CD2-CD1 4.27Å; L46-I105 HydrophobicContact CD2-CG2 3.53Å; L46-Y140 HydrophobicContact CD2-CE1 4.48Å
47K71.3Confident67.5Low99 Ų9945.3 Ų45.343%0.4324%0.238SC..Hα-helixtrans-60.3-37.1172.3-74.6174.8-179.5-179.50111.8I33 Q43 S44 C45 R50 L51I33-K47 HydrophobicContact CG2-CB 4.19Å; Q43-K47 WeakPolarHBondContact O-CG 3.31Å; Q43-K47 PolarHBondContact O-N 3.18Å; Q43-K47 VanDerWaalsContact O-N 3.15Å; S44-K47 WeakPolarHBondContact O-CB 3.43Å; S44-K47 PolarHBondContact O-N 2.84Å; C45-K47 VanDerWaalsContact C-N 3.33Å; C45-K47 PolarHBondContact O-N 3.4Å; K47-R50 PolarHBondContact O-N 2.89Å; K47-L51 PolarHBondContact O-N 3.17Å
48L71.6Confident68.6Low0 Ų049 Ų490%025%0.253CS..Hα-helixtrans-69-42.4177.7-126101.8000112.2L10 L11 L14 I33 F37 S44 C45 L46 R50 L51 L52L10-L48 VanDerWaalsContact C-CD2 3.43Å; L10-L48 HydrophobicContact CB-CD2 3.77Å; L10-L48 HydrophobicContact CD2-CD2 4.26Å; L11-L48 HydrophobicContact CB-CD2 4.15Å; L11-L48 HydrophobicContact CD1-CD1 3.76Å; L11-L48 HydrophobicContact CD1-CD2 4.04Å; L14-L48 HydrophobicContact CD1-CB 4.33Å; L14-L48 HydrophobicContact CD1-CD2 3.3Å; L14-L48 HydrophobicContact CD1-CG 3.45Å; L14-L48 VanDerWaalsContact CD1-CG 3.45Å; I33-L48 HydrophobicContact CG2-CD1 4.01Å; F37-L48 HydrophobicContact CD1-CD1 4.43Å; F37-L48 HydrophobicContact CD2-CD1 3.19Å; F37-L48 HydrophobicContact CD2-CG 4.4Å; F37-L48 HydrophobicContact CE1-CD1 4.29Å; F37-L48 HydrophobicContact CE2-CB 3.9Å; F37-L48 HydrophobicContact CE2-CD1 3.09Å; F37-L48 HydrophobicContact CE2-CD2 4.23Å; F37-L48 HydrophobicContact CE2-CG 3.88Å; F37-L48 HydrophobicContact CG-CD1 3.86Å; F37-L48 HydrophobicContact CZ-CB 4.37Å; F37-L48 HydrophobicContact CZ-CD1 3.62Å; F37-L48 HydrophobicContact CZ-CD2 4.02Å; F37-L48 HydrophobicContact CZ-CG 4.19Å; S44-L48 PolarHBondContact O-N 2.94Å; C45-L48 WeakPolarHBondContact O-CA 3.14Å; C45-L48 VanDerWaalsContact O-CB 3.31Å; C45-L48 WeakPolarHBondContact O-CB 3.36Å; C45-L48 PolarHBondContact O-N 3.17Å; L46-L48 PolarHBondContact O-N 2.93Å; L48-R50 VanDerWaalsContact C-N 3.32Å; L48-R50 PolarHBondContact O-N 3.33Å; L48-L51 WeakPolarHBondContact O-CB 3.22Å; L48-L51 PolarHBondContact O-N 3.39Å; L48-L52 PolarHBondContact O-N 3.13Å
49V73.1Confident69.6Low0 Ų046.6 Ų46.60%023%0.226CC..Hα-helixtrans-60.3-43.2172.4175.60000110.6L10 C45 L46 L51 L52 I53 I105 I142 L189L10-V49 HydrophobicContact CD1-CG2 3.75Å; L10-V49 HydrophobicContact CD2-CG2 4.44Å; C45-V49 PolarHBondContact O-N 3.48Å; L46-V49 PolarHBondContact O-N 3.47Å; V49-L51 VanDerWaalsContact C-N 3.32Å; V49-L51 PolarHBondContact O-N 2.8Å; V49-L52 WeakPolarHBondContact O-CB 3.43Å; V49-L52 PolarHBondContact O-N 3.17Å; V49-L52 VanDerWaalsContact O-N 3.16Å; V49-I53 WeakPolarHBondContact O-CG1 3.27Å; V49-I53 PolarHBondContact O-N 3.13Å; V49-I53 VanDerWaalsContact O-N 3.08Å; V49-I105 HydrophobicContact CB-CD1 4.02Å; V49-I105 HydrophobicContact CG1-CD1 3.73Å; V49-I142 HydrophobicContact CG1-CD1 3.49Å; V49-I142 VanDerWaalsContact CG1-CD1 3.49Å; V49-I142 HydrophobicContact CG1-CG1 4.16Å; V49-L189 HydrophobicContact CG1-CD2 4.13Å; V49-L189 HydrophobicContact CG2-CD2 3.99Å
50R74.8Confident70.6Confident73 Ų7343.7 Ų43.728%0.27520%0.202SC..Hα-helixtrans-60.8-41.7175.3-172.6169.4-174.7173.51.4111.9L46 K47 L48 L52 I53 N54 D100 F103L46-R50 PolarHBondContact O-N 3.46Å; K47-R50 PolarHBondContact O-N 2.89Å; L48-R50 VanDerWaalsContact C-N 3.32Å; L48-R50 PolarHBondContact O-N 3.33Å; R50-L52 VanDerWaalsContact C-N 3.32Å; R50-L52 PolarHBondContact O-N 3.03Å; R50-I53 PolarHBondContact O-N 3.13Å; R50-N54 VanDerWaalsContact O-CG 3.23Å; R50-N54 PolarHBondContact O-N 2.92Å; R50-N54 PolarHBondContact O-OD1 3.27Å; R50-D100 IonicContact NH1-OD1 2.88Å; R50-F103 HydrophobicContact CB-CE1 3.97Å; R50-F103 HydrophobicContact CB-CZ 3.93Å; R50-F103 HydrophobicContact CG-CD1 4.43Å; R50-F103 HydrophobicContact CG-CE1 3.72Å; R50-F103 HydrophobicContact CG-CE2 4.3Å; R50-F103 HydrophobicContact CG-CZ 3.68Å
51L74.5Confident71.5Confident10 Ų1040.6 Ų40.65%0.05219%0.192CC..Hα-helixtrans-61.8-40.8175-176.364000111.7L14 I33 K47 L48 V49 I53 N54 I55L14-L51 HydrophobicContact CD1-CB 4.36Å; L14-L51 HydrophobicContact CD1-CD2 3.91Å; L14-L51 HydrophobicContact CD1-CG 4.31Å; L14-L51 HydrophobicContact CD2-CD2 3.53Å; L14-L51 HydrophobicContact CD2-CG 3.75Å; L14-L51 HydrophobicContact CG-CD2 4.39Å; I33-L51 HydrophobicContact CD1-CB 4.39Å; I33-L51 HydrophobicContact CD1-CD1 4.34Å; I33-L51 HydrophobicContact CD1-CD2 4.45Å; I33-L51 HydrophobicContact CG2-CD2 4.32Å; K47-L51 PolarHBondContact O-N 3.17Å; L48-L51 WeakPolarHBondContact O-CB 3.22Å; L48-L51 PolarHBondContact O-N 3.39Å; V49-L51 VanDerWaalsContact C-N 3.32Å; V49-L51 PolarHBondContact O-N 2.8Å; L51-I53 VanDerWaalsContact C-N 3.35Å; L51-I53 PolarHBondContact O-N 3.18Å; L51-N54 PolarHBondContact O-N 3.24Å; L51-I55 HydrophobicContact CG-CD1 4.4Å; L51-I55 WeakPolarHBondContact O-CG1 3.15Å; L51-I55 PolarHBondContact O-N 3.05Å
52L73.7Confident72.3Confident2 Ų240.8 Ų40.81%0.0119%0.193CC..Hα-helixtrans-53.4-51.8173.3-157.282.8000111.8L10 F13 L14 L17 L48 V49 R50 N54 I55 I56 L189L10-L52 HydrophobicContact CD2-CD1 4.06Å; L10-L52 HydrophobicContact CD2-CD2 4.49Å; F13-L52 HydrophobicContact CD1-CD1 3.19Å; F13-L52 HydrophobicContact CD1-CG 4.45Å; F13-L52 HydrophobicContact CE1-CD1 3.17Å; F13-L52 HydrophobicContact CE1-CD2 4.28Å; F13-L52 HydrophobicContact CE1-CG 4.05Å; F13-L52 HydrophobicContact CG-CD1 4.43Å; F13-L52 HydrophobicContact CZ-CD1 4.42Å; L14-L52 HydrophobicContact CG-CD1 4.35Å; L17-L52 HydrophobicContact CD1-CD1 4.07Å; L48-L52 PolarHBondContact O-N 3.13Å; V49-L52 WeakPolarHBondContact O-CB 3.43Å; V49-L52 PolarHBondContact O-N 3.17Å; V49-L52 VanDerWaalsContact O-N 3.16Å; R50-L52 VanDerWaalsContact C-N 3.32Å; R50-L52 PolarHBondContact O-N 3.03Å; L52-N54 VanDerWaalsContact C-N 3.32Å; L52-N54 PolarHBondContact O-N 2.03Å; L52-I55 PolarHBondContact O-N 3.06Å; L52-I55 VanDerWaalsContact O-N 3.17Å; L52-I56 HydrophobicContact CD2-CD1 4.42Å; L52-I56 HydrophobicContact CG-CD1 4.35Å; L52-I56 WeakPolarHBondContact O-CG1 3.42Å; L52-I56 PolarHBondContact O-N 3.12Å; L52-L189 HydrophobicContact CD2-CD1 3.95Å; L52-L189 HydrophobicContact CD2-CD2 4.33Å
53I75.8Confident73.1Confident2 Ų240.6 Ų40.61%0.0119%0.187CC..Hα-helixtrans-62.1-42.3-179.3-63.8-50.6000110.7V49 R50 L51 I55 I56 F57 F103 I142 F144 L187V49-I53 WeakPolarHBondContact O-CG1 3.27Å; V49-I53 PolarHBondContact O-N 3.13Å; V49-I53 VanDerWaalsContact O-N 3.08Å; R50-I53 PolarHBondContact O-N 3.13Å; L51-I53 VanDerWaalsContact C-N 3.35Å; L51-I53 PolarHBondContact O-N 3.18Å; I53-I55 VanDerWaalsContact C-N 3.29Å; I53-I55 PolarHBondContact O-N 3.44Å; I53-I56 HydrophobicContact CD1-CD1 4.39Å; I53-I56 PolarHBondContact O-N 3.49Å; I53-F57 WeakPolarHBondContact O-CB 2.99Å; I53-F57 PolarHBondContact O-N 3.46Å; I53-F103 HydrophobicContact CB-CE2 4.47Å; I53-F103 HydrophobicContact CG2-CE2 4.19Å; I53-I142 HydrophobicContact CD1-CD1 3.74Å; I53-I142 HydrophobicContact CD1-CG2 4.33Å; I53-I142 HydrophobicContact CG1-CD1 3.94Å; I53-I142 HydrophobicContact CG1-CG2 3.89Å; I53-F144 HydrophobicContact CG2-CD1 4.27Å; I53-F144 HydrophobicContact CG2-CE1 4.12Å; I53-F144 HydrophobicContact CG2-CZ 4.24Å; I53-L187 HydrophobicContact CD1-CD1 3.48Å; I53-L187 VanDerWaalsContact CD1-CD1 3.48Å
54N75.2Confident73.5Confident53 Ų5334.2 Ų34.228%0.28316%0.157SC..Hα-helixtrans-60.6-39.1176.8-67.3-7.6000111.9R50 L51 L52 Y58 Q95R50-N54 VanDerWaalsContact O-CG 3.23Å; R50-N54 PolarHBondContact O-N 2.92Å; R50-N54 PolarHBondContact O-OD1 3.27Å; L51-N54 PolarHBondContact O-N 3.24Å; L52-N54 VanDerWaalsContact C-N 3.32Å; L52-N54 PolarHBondContact O-N 2.03Å; N54-Y58 WeakPolarHBondContact O-CB 3.42Å; N54-Y58 PolarHBondContact O-N 3.44Å; N54-Q95 PolarHBondContact OD1-OE1 3.01Å; N54-Q95 VanDerWaalsContact OD1-OE1 3.12Å
55I72.5Confident74.1Confident5 Ų536.2 Ų36.23%0.02617%0.174CC..Hα-helixtrans-66.4-45.6176.5-68.7174.3000111.2L14 L17 L22 L51 L52 I53 F57 Y58 K59L14-I55 HydrophobicContact CD2-CD1 3.28Å; L17-I55 HydrophobicContact CD1-CG2 4.23Å; L22-I55 HydrophobicContact CD1-CD1 4.11Å; L22-I55 HydrophobicContact CD1-CG1 3.9Å; L22-I55 HydrophobicContact CD1-CG2 4.05Å; L51-I55 HydrophobicContact CG-CD1 4.4Å; L51-I55 WeakPolarHBondContact O-CG1 3.15Å; L51-I55 PolarHBondContact O-N 3.05Å; L52-I55 PolarHBondContact O-N 3.06Å; L52-I55 VanDerWaalsContact O-N 3.17Å; I53-I55 VanDerWaalsContact C-N 3.29Å; I53-I55 PolarHBondContact O-N 3.44Å; I55-F57 VanDerWaalsContact C-N 3.29Å; I55-F57 PolarHBondContact O-N 2.93Å; I55-Y58 PolarHBondContact O-N 2.8Å; I55-K59 PolarHBondContact O-N 2.85Å
56I72.8Confident74.8Confident15 Ų1544.3 Ų44.38%0.07721%0.209CC..Hα-helixtrans-60.1-44.7177.7-66.1171.4000110.2L52 I53 K59 T60 L199 L272 L275L52-I56 HydrophobicContact CD2-CD1 4.42Å; L52-I56 HydrophobicContact CG-CD1 4.35Å; L52-I56 WeakPolarHBondContact O-CG1 3.42Å; L52-I56 PolarHBondContact O-N 3.12Å; I53-I56 HydrophobicContact CD1-CD1 4.39Å; I53-I56 PolarHBondContact O-N 3.49Å; I56-K59 PolarHBondContact O-N 3.36Å; I56-T60 WeakPolarHBondContact O-CB 3.31Å; I56-T60 PolarHBondContact O-N 2.84Å; I56-T60 PolarHBondContact O-OG1 3.04Å; I56-L199 HydrophobicContact CD1-CD2 3.55Å; I56-L272 HydrophobicContact CG2-CD1 4.42Å; I56-L275 HydrophobicContact CG1-CD1 3.85Å; I56-L275 HydrophobicContact CG2-CD1 4.46Å
57F75.8Confident75Confident21 Ų2144 Ų449%0.09221%0.208CC..Hα-helixtrans-61.7-47.1177.2-174.8-93.8000111.6I53 I55 K59 T60 K61 L93 Q95 F144 I146I53-F57 WeakPolarHBondContact O-CB 2.99Å; I53-F57 PolarHBondContact O-N 3.46Å; I55-F57 VanDerWaalsContact C-N 3.29Å; I55-F57 PolarHBondContact O-N 2.93Å; F57-K59 PolarHBondContact O-N 2.67Å; F57-T60 WeakPolarHBondContact O-CB 3.28Å; F57-T60 PolarHBondContact O-N 3.18Å; F57-K61 WeakPolarHBondContact O-CB 3.37Å; F57-K61 PolarHBondContact O-N 2.89Å; F57-L93 HydrophobicContact CD2-CD2 4.19Å; F57-L93 HydrophobicContact CE1-CD2 4.47Å; F57-L93 HydrophobicContact CE2-CD2 3.35Å; F57-L93 HydrophobicContact CE2-CG 3.86Å; F57-L93 HydrophobicContact CZ-CB 4.34Å; F57-L93 HydrophobicContact CZ-CD2 3.51Å; F57-L93 HydrophobicContact CZ-CG 3.7Å; F57-Q95 HydrophobicContact CD1-CB 3.94Å; F57-Q95 HydrophobicContact CD2-CB 4.32Å; F57-Q95 HydrophobicContact CE1-CB 3.75Å; F57-Q95 HydrophobicContact CE2-CB 4.14Å; F57-Q95 HydrophobicContact CG-CB 4.23Å; F57-Q95 HydrophobicContact CZ-CB 3.86Å; F57-F144 HydrophobicContact CD2-CE2 4.43Å; F57-I146 HydrophobicContact CD2-CD1 4.21Å; F57-I146 HydrophobicContact CD2-CG1 4.35Å; F57-I146 HydrophobicContact CE2-CB 4.33Å; F57-I146 HydrophobicContact CE2-CD1 3.86Å; F57-I146 HydrophobicContact CE2-CG1 3.81Å; F57-I146 HydrophobicContact CE2-CG2 3.64Å; F57-I146 HydrophobicContact CZ-CG2 4.04Å
58Y75.3Confident75.3Confident95 Ų9544.7 Ų44.737%0.37322%0.216SC..Hα-helixtrans-59.2-45.9177.5-178.3-91.7000112.1L22 N54 I55 T60 K61 T62L22-Y58 HydrophobicContact CD2-CD1 3.49Å; L22-Y58 VanDerWaalsContact CD2-CD1 3.49Å; L22-Y58 HydrophobicContact CD2-CE1 3.56Å; L22-Y58 HydrophobicContact CD2-CG 4.27Å; N54-Y58 WeakPolarHBondContact O-CB 3.42Å; N54-Y58 PolarHBondContact O-N 3.44Å; I55-Y58 PolarHBondContact O-N 2.8Å; Y58-T60 VanDerWaalsContact C-N 3.34Å; Y58-T60 PolarHBondContact O-N 2.63Å; Y58-K61 PolarHBondContact O-N 3.11Å; Y58-T62 WeakPolarHBondContact CE1-OG1 2.99Å; Y58-T62 PolarHBondContact O-N 2.85Å; Y58-T62 PolarHBondContact O-OG1 2.73Å
59K72.9Confident75.9Confident35 Ų3546.9 Ų46.915%0.15223%0.231CC..Hα-helixtrans-60.7-43.9175.6-85-170.1164.9-168.10112.1N21 I55 I56 F57 K61 T62 Y63 L275N21-K59 PolarHBondContact ND2-NZ 3.4Å; I55-K59 PolarHBondContact O-N 2.85Å; I56-K59 PolarHBondContact O-N 3.36Å; F57-K59 PolarHBondContact O-N 2.67Å; K59-K61 PolarHBondContact O-N 2.75Å; K59-T62 PolarHBondContact O-N 2.9Å; K59-Y63 PolarHBondContact O-N 3Å; K59-L275 HydrophobicContact CD-CD2 3.76Å
60T74.1Confident76.3Confident3 Ų348.7 Ų48.72%0.01824%0.239CC..Hα-helixtrans-58.9-48.7176-56.50000110.8I56 F57 Y58 T62 Y63 L64 L93 L268I56-T60 WeakPolarHBondContact O-CB 3.31Å; I56-T60 PolarHBondContact O-N 2.84Å; I56-T60 PolarHBondContact O-OG1 3.04Å; F57-T60 WeakPolarHBondContact O-CB 3.28Å; F57-T60 PolarHBondContact O-N 3.18Å; Y58-T60 VanDerWaalsContact C-N 3.34Å; Y58-T60 PolarHBondContact O-N 2.63Å; T60-T62 VanDerWaalsContact C-N 3.28Å; T60-T62 PolarHBondContact O-N 2.67Å; T60-Y63 WeakPolarHBondContact O-CB 3.49Å; T60-Y63 PolarHBondContact O-N 2.76Å; T60-L64 HydrophobicContact CG2-CD1 4.01Å; T60-L64 HydrophobicContact CG2-CG 4.43Å; T60-L64 VanDerWaalsContact O-CG 3.32Å; T60-L64 WeakPolarHBondContact O-CG 3.3Å; T60-L64 PolarHBondContact O-N 3.48Å; T60-L93 HydrophobicContact CG2-CD2 4.37Å; T60-L268 HydrophobicContact CG2-CD2 3.48Å; T60-L268 VanDerWaalsContact CG2-CD2 3.48Å; T60-L268 HydrophobicContact CG2-CG 4.29Å
61K78.3Confident76.7Confident80 Ų8051.2 Ų51.235%0.34825%0.254SS..Hα-helixtrans-56.8-43.7176-178.5178.9-177.5162.70111.9F57 Y58 K59 Y63 L64 A65 L93F57-K61 WeakPolarHBondContact O-CB 3.37Å; F57-K61 PolarHBondContact O-N 2.89Å; Y58-K61 PolarHBondContact O-N 3.11Å; K59-K61 PolarHBondContact O-N 2.75Å; K61-Y63 VanDerWaalsContact C-N 3.35Å; K61-Y63 PolarHBondContact O-N 2.05Å; K61-L64 PolarHBondContact O-N 2.82Å; K61-A65 WeakPolarHBondContact O-CB 3.37Å; K61-A65 PolarHBondContact O-N 3.4Å; K61-L93 WeakPolarHBondContact CD-O 3.29Å; K61-L93 WeakPolarHBondContact CE-O 3.21Å; K61-L93 PolarHBondContact NZ-O 2.74Å
62T78.5Confident77Confident68 Ų6851.3 Ų51.342%0.41726%0.255SS..Hα-helixtrans-65.7-39.4180-43.60000111.5Y58 K59 T60 A65 K66Y58-T62 WeakPolarHBondContact CE1-OG1 2.99Å; Y58-T62 PolarHBondContact O-N 2.85Å; Y58-T62 PolarHBondContact O-OG1 2.73Å; K59-T62 PolarHBondContact O-N 2.9Å; T60-T62 VanDerWaalsContact C-N 3.28Å; T60-T62 PolarHBondContact O-N 2.67Å; T62-A65 PolarHBondContact O-N 2.88Å; T62-K66 PolarHBondContact O-N 3.15Å
63Y78Confident77.4Confident81 Ų8157.7 Ų57.732%0.31829%0.289SS..Hα-helixtrans-63-46.3174.4177.7-87.8000111.8K59 T60 K61 A65 K66 N67 F70 I267K59-Y63 PolarHBondContact O-N 3Å; T60-Y63 WeakPolarHBondContact O-CB 3.49Å; T60-Y63 PolarHBondContact O-N 2.76Å; K61-Y63 VanDerWaalsContact C-N 3.35Å; K61-Y63 PolarHBondContact O-N 2.05Å; Y63-A65 VanDerWaalsContact C-N 3.35Å; Y63-K66 PolarHBondContact O-N 3.33Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.45Å; Y63-N67 VanDerWaalsContact CE2-ND2 3.31Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.23Å; Y63-N67 PolarHBondContact O-N 2.98Å; Y63-N67 PolarHBondContact O-ND2 3.22Å; Y63-N67 PolarHBondContact OH-ND2 3.15Å; Y63-F70 HydrophobicContact CE1-CE1 4.29Å; Y63-I267 HydrophobicContact CD1-CG2 3.8Å; Y63-I267 HydrophobicContact CE1-CG2 3.78Å
64L75.7Confident77.8Confident5 Ų564.9 Ų64.93%0.02632%0.317CS..Hα-helixtrans-63.6-40.5177.2-66.4170000111.5T60 K61 K66 N67 F70 F90 L93 I267T60-L64 HydrophobicContact CG2-CD1 4.01Å; T60-L64 HydrophobicContact CG2-CG 4.43Å; T60-L64 VanDerWaalsContact O-CG 3.32Å; T60-L64 WeakPolarHBondContact O-CG 3.3Å; T60-L64 PolarHBondContact O-N 3.48Å; K61-L64 PolarHBondContact O-N 2.82Å; L64-K66 PolarHBondContact O-N 2.75Å; L64-N67 CarbonylContact O-C 3.6Å; L64-N67 PolarHBondContact O-N 3.47Å; L64-F70 HydrophobicContact CD2-CE2 3.7Å; L64-F70 HydrophobicContact CD2-CZ 3.43Å; L64-F70 VanDerWaalsContact CD2-CZ 3.43Å; L64-F90 HydrophobicContact CB-CB 4.06Å; L64-F90 HydrophobicContact CD1-CB 4.1Å; L64-F90 HydrophobicContact CD2-CB 3.82Å; L64-F90 HydrophobicContact CD2-CG 4.3Å; L64-F90 HydrophobicContact CG-CB 4.19Å; L64-L93 HydrophobicContact CD1-CB 4.27Å; L64-L93 HydrophobicContact CD1-CD1 4.36Å; L64-L93 HydrophobicContact CD1-CD2 3.88Å; L64-L93 HydrophobicContact CD1-CG 4.4Å; L64-I267 HydrophobicContact CD2-CD1 3.99Å; L64-I267 HydrophobicContact CD2-CG2 3.96Å
65A77.7Confident78Confident48 Ų4863.2 Ų63.240%0.39731%0.308SS..Hα-helixtrans-67.4-23.5175.900000113.4K61 T62 Y63 N68 D91K61-A65 WeakPolarHBondContact O-CB 3.37Å; K61-A65 PolarHBondContact O-N 3.4Å; T62-A65 PolarHBondContact O-N 2.88Å; Y63-A65 VanDerWaalsContact C-N 3.35Å; A65-N68 PolarHBondContact O-OD1 3.21Å; A65-D91 HydrophobicContact CB-CB 4.27Å
66K80Confident78.2Confident174 Ų17467.2 Ų67.276%0.75733%0.329SS*.Hα-helixtrans-80.7-40.1173.7-173.9178.4177.8-178.10111.4T62 Y63 L64 N68T62-K66 PolarHBondContact O-N 3.15Å; Y63-K66 PolarHBondContact O-N 3.33Å; L64-K66 PolarHBondContact O-N 2.75Å; K66-N68 PolarHBondContact O-N 3.42Å
67N74.5Confident78.2Confident56 Ų5667.8 Ų67.830%0.29933%0.332SS..SBendtrans-96.675.9177.5-63-43000109Y63 L64 S69 F70Y63-N67 WeakPolarHBondContact CE1-ND2 3.45Å; Y63-N67 VanDerWaalsContact CE2-ND2 3.31Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.23Å; Y63-N67 PolarHBondContact O-N 2.98Å; Y63-N67 PolarHBondContact O-ND2 3.22Å; Y63-N67 PolarHBondContact OH-ND2 3.15Å; L64-N67 CarbonylContact O-C 3.6Å; L64-N67 PolarHBondContact O-N 3.47Å; N67-S69 PolarHBondContact O-N 3.34Å; N67-F70 HydrophobicContact CB-CE1 4.15Å; N67-F70 HydrophobicContact CB-CZ 4.03Å
68N76.2Confident78.1Confident112 Ų11274.4 Ų74.460%0.59936%0.357SS*.  trans-51.5-20.7-176.2-72.9-13.4000114.8A65 K66A65-N68 PolarHBondContact O-OD1 3.21Å; K66-N68 PolarHBondContact O-N 3.42Å
69S84.1Confident78Confident47 Ų4771 Ų7133%0.32935%0.345SS..EExtended strand (participates in β ladder)trans-144.1152.1-179.765.70000112.4N67 I87N67-S69 PolarHBondContact O-N 3.34Å; S69-I87 CarbonylContact C-O 3.55Å; S69-I87 WeakPolarHBondContact CA-O 3.47Å
70F81.4Confident78.2Confident37 Ų3769.5 Ų69.516%0.16234%0.338CS..EExtended strand (participates in β ladder)trans-115.7142.1170.2-60.7-82000110.3Y63 L64 N67 T86 I87 F90 I267Y63-F70 HydrophobicContact CE1-CE1 4.29Å; L64-F70 HydrophobicContact CD2-CE2 3.7Å; L64-F70 HydrophobicContact CD2-CZ 3.43Å; L64-F70 VanDerWaalsContact CD2-CZ 3.43Å; N67-F70 HydrophobicContact CB-CE1 4.15Å; N67-F70 HydrophobicContact CB-CZ 4.03Å; F70-T86 CarbonylContact O-C 3.56Å; F70-T86 WeakPolarHBondContact O-CA 3.35Å; F70-I87 PolarHBondContact N-O 3.19Å; F70-I87 PolarHBondContact O-N 3.29Å; F70-F90 AromaticContact CD2-CD2 3.38Å; F70-F90 HydrophobicContact CD2-CD2 3.38Å; F70-F90 AromaticContact CD2-CE2 3.56Å; F70-F90 HydrophobicContact CD2-CE2 3.56Å; F70-F90 HydrophobicContact CD2-CG 4.36Å; F70-F90 HydrophobicContact CE2-CB 4.14Å; F70-F90 AromaticContact CE2-CD2 3.43Å; F70-F90 HydrophobicContact CE2-CD2 3.43Å; F70-F90 VanDerWaalsContact CE2-CD2 3.43Å; F70-F90 HydrophobicContact CE2-CE2 4.04Å; F70-F90 HydrophobicContact CE2-CG 4.01Å; F70-I267 HydrophobicContact CD1-CD1 3.88Å; F70-I267 HydrophobicContact CD2-CD1 4.44Å; F70-I267 HydrophobicContact CE1-CD1 3.5Å; F70-I267 HydrophobicContact CE1-CG1 4.15Å; F70-I267 HydrophobicContact CE2-CD1 4.11Å; F70-I267 HydrophobicContact CG-CD1 4.34Å; F70-I267 HydrophobicContact CZ-CD1 3.66Å
71Q84.4Confident78.6Confident126 Ų12670 Ų7059%0.58934%0.341SS*.EExtended strand (participates in β ladder)trans-107.6140.4177.7-68.8-66.4-27.400109.7I85 T86Q71-I85 CarbonylContact C-O 3.55Å; Q71-I85 WeakPolarHBondContact CA-O 3.38Å; Q71-I85 PolarHBondContact OE1-O 2.69Å; Q71-T86 PolarHBondContact NE2-OG1 3.06Å; Q71-T86 PolarHBondContact OE1-OG1 2.95Å
72I80.7Confident78.9Confident13 Ų1366.2 Ų66.27%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-137.7132.9179.5-57.4150000107.5I85 I87 Y259I72-I85 HydrophobicContact CB-CB 4.02Å; I72-I85 HydrophobicContact CD1-CB 4.4Å; I72-I85 HydrophobicContact CD1-CG2 4.09Å; I72-I85 HydrophobicContact CG2-CB 4.44Å; I72-I85 HydrophobicContact CG2-CD1 4.05Å; I72-I85 PolarHBondContact N-O 3.31Å; I72-I85 PolarHBondContact O-N 3.48Å; I72-I87 HydrophobicContact CD1-CD1 3.33Å; I72-I87 HydrophobicContact CD1-CG1 3.82Å; I72-Y259 HydrophobicContact CB-CE1 4.28Å; I72-Y259 HydrophobicContact CD1-CD1 3.77Å; I72-Y259 HydrophobicContact CD1-CE1 3.07Å; I72-Y259 HydrophobicContact CG1-CE1 3.46Å; I72-Y259 VanDerWaalsContact CG1-CE1 3.46Å; I72-Y259 VanDerWaalsContact CG1-OH 3.29Å; I72-Y259 WeakPolarHBondContact CG1-OH 3.31Å; I72-Y259 HydrophobicContact CG2-CE1 3.95Å; I72-Y259 HydrophobicContact CG2-CE2 3.9Å; I72-Y259 WeakPolarHBondContact CG2-OH 3.07Å
73D80.7Confident79.3Confident136 Ų13667.1 Ų67.173%0.72732%0.323SS*.EExtended strand (participates in β ladder)trans-66.3-56.3-173.2-63.5-26.3000112.1K83 N84D73-K83 WeakPolarHBondContact O-CA 3.49Å; D73-N84 PolarHBondContact O-N 3.46Å
74Y84.6Confident79.8Confident152 Ų15268.2 Ų68.260%0.59633%0.334SS*.EExtended strand (participates in β ladder)trans-159.3156.7-179.979.2-81.6000113.6D76 L82Y74-D76 HydrophobicContact CD2-CB 3.93Å; Y74-D76 HydrophobicContact CE2-CB 3.96Å; Y74-L82 CarbonylContact C-O 3.6Å; Y74-L82 WeakPolarHBondContact CA-O 2.97Å; Y74-L82 WeakPolarHBondContact CB-O 3.46Å
75I79.1Confident80.3Confident18 Ų1868 Ų689%0.09233%0.333CS..EExtended strand (participates in β ladder)trans-127.7129.6165.8-65.6171.7000106.3T81 L82 I85 I255 Y259I75-T81 CarbonylContact O-C 3.57Å; I75-T81 WeakPolarHBondContact O-CA 3.49Å; I75-L82 HydrophobicContact CB-CB 4.2Å; I75-L82 PolarHBondContact N-O 3.34Å; I75-L82 PolarHBondContact O-N 2.9Å; I75-I85 HydrophobicContact CB-CD1 3.96Å; I75-I85 HydrophobicContact CD1-CD1 3.52Å; I75-I85 HydrophobicContact CG1-CD1 3.5Å; I75-I85 VanDerWaalsContact CG1-CD1 3.5Å; I75-I255 HydrophobicContact CG2-CG2 3.53Å; I75-Y259 HydrophobicContact CD1-CD1 4.33Å; I75-Y259 HydrophobicContact CD1-CD2 3.73Å; I75-Y259 HydrophobicContact CD1-CE2 4.29Å; I75-Y259 HydrophobicContact CD1-CG 3.78Å; I75-Y259 HydrophobicContact CG1-CD2 3.81Å; I75-Y259 HydrophobicContact CG1-CE2 4.06Å; I75-Y259 HydrophobicContact CG1-CG 4.38Å
76D77.6Confident80.9Confident89 Ų8966.5 Ų66.548%0.47632%0.319SS..EExtended strand (participates in β ladder)trans-132.9140.9-178.6-167.331.5000112Y74 T81Y74-D76 HydrophobicContact CD2-CB 3.93Å; Y74-D76 HydrophobicContact CE2-CB 3.96Å; D76-T81 HydrophobicContact CB-CG2 4.29Å; D76-T81 WeakPolarHBondContact OD1-CB 3.36Å; D76-T81 PolarHBondContact OD1-OG1 3.19Å
77N73.7Confident81.2Confident27 Ų2758.4 Ų58.414%0.14428%0.284CS..  trans-145-177.3167.681.318.9000110.4M79 I80 I255N77-M79 PolarHBondContact O-N 3Å; N77-M79 VanDerWaalsContact O-N 3.11Å; N77-M79 WeakPolarHBondContact OD1-CA 3.29Å; N77-M79 WeakPolarHBondContact OD1-CB 3.06Å; N77-M79 PolarHBondContact OD1-N 3.41Å; N77-I80 PolarHBondContact N-O 3.19Å; N77-I80 PolarHBondContact OD1-N 3.5Å; N77-I80 PolarHBondContact OD1-O 2.89Å; N77-I255 HydrophobicContact CB-CD1 4.04Å; N77-I255 WeakPolarHBondContact ND2-CD1 3.46Å
78W72Confident81.9Confident161 Ų16159.9 Ų59.961%0.6129%0.285SS*.SBendtrans-63.6-16.4-177.466.1-85.7000115.5F161 W245W78-F161 AromaticContact CE3-CE1 3.88Å; W78-F161 HydrophobicContact CE3-CE1 3.88Å; W78-F161 HydrophobicContact CE3-CZ 4.07Å; W78-F161 AromaticContact CZ3-CE1 3.99Å; W78-F161 HydrophobicContact CZ3-CE1 3.99Å; W78-F161 AromaticContact CZ3-CZ 3.75Å; W78-F161 HydrophobicContact CZ3-CZ 3.75Å; W78-F161 WeakPolarHBondContact O-CD1 3.33Å; W78-W245 HydrophobicContact CH2-CH2 4.16Å; W78-W245 AromaticContact CZ2-CH2 3.9Å; W78-W245 HydrophobicContact CZ2-CH2 3.9Å
79M74.2Confident82.3Confident23 Ų2355 Ų5511%0.11326%0.262CS..SBendtrans-116.1-33.1-175.5-88.7-116.4-166.900114.5N77 F161 T242 W245N77-M79 PolarHBondContact O-N 3Å; N77-M79 VanDerWaalsContact O-N 3.11Å; N77-M79 WeakPolarHBondContact OD1-CA 3.29Å; N77-M79 WeakPolarHBondContact OD1-CB 3.06Å; N77-M79 PolarHBondContact OD1-N 3.41Å; M79-F161 HydrophobicContact CE-CE2 3.95Å; M79-F161 HydrophobicContact CE-CZ 3.76Å; M79-F161 HydrophobicContact CG-CE1 4.16Å; M79-F161 HydrophobicContact CG-CE2 3.96Å; M79-F161 HydrophobicContact CG-CZ 3.66Å; M79-F161 WeakPolarHBondContact O-CA 3.18Å; M79-F161 PolarHBondContact O-N 3.46Å; M79-F161 HydrophobicContact SD-CD2 4.33Å; M79-F161 HydrophobicContact SD-CE2 3.4Å; M79-F161 WeakPolarHBondContact SD-CE2 3.37Å; M79-F161 HydrophobicContact SD-CZ 3.58Å; M79-F161 VanDerWaalsContact SD-CZ 3.58Å; M79-T242 HydrophobicContact SD-CG2 4.46Å; M79-W245 HydrophobicContact CE-CD2 4.47Å; M79-W245 HydrophobicContact CE-CE3 4.05Å; M79-W245 HydrophobicContact CE-CH2 3.69Å; M79-W245 HydrophobicContact CE-CZ2 4.08Å; M79-W245 HydrophobicContact CE-CZ3 3.65Å; M79-W245 HydrophobicContact SD-CE3 4.27Å; M79-W245 HydrophobicContact SD-CH2 4.49Å; M79-W245 HydrophobicContact SD-CZ3 3.92Å
80I77.6Confident82.2Confident3 Ų353 Ų532%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-143.1135.7-174.1-167.2170.2000110.7N77 L82 W158 L159 I174 L246 L252N77-I80 PolarHBondContact N-O 3.19Å; N77-I80 PolarHBondContact OD1-N 3.5Å; N77-I80 PolarHBondContact OD1-O 2.89Å; I80-L82 HydrophobicContact CD1-CD2 3.77Å; I80-L82 HydrophobicContact CD1-CG 4.46Å; I80-L82 HydrophobicContact CG1-CD2 4.01Å; I80-L82 HydrophobicContact CG1-CG 4.45Å; I80-W158 HydrophobicContact CD1-CE3 3.93Å; I80-W158 HydrophobicContact CG1-CE3 4.35Å; I80-L159 WeakPolarHBondContact CA-O 3.34Å; I80-I174 HydrophobicContact CD1-CD1 4.37Å; I80-L246 HydrophobicContact CD1-CD1 4.21Å; I80-L252 HydrophobicContact CG2-CD1 4.2Å
81T81.7Confident82.1Confident13 Ų1353.7 Ų53.78%0.0825%0.252CS..EExtended strand (participates in β ladder)trans-113.2125.6167.6-48.10000108.2I75 D76 K83 W158 L159I75-T81 CarbonylContact O-C 3.57Å; I75-T81 WeakPolarHBondContact O-CA 3.49Å; D76-T81 HydrophobicContact CB-CG2 4.29Å; D76-T81 WeakPolarHBondContact OD1-CB 3.36Å; D76-T81 PolarHBondContact OD1-OG1 3.19Å; T81-K83 HydrophobicContact CG2-CG 4.2Å; T81-W158 CarbonylContact O-C 3.53Å; T81-W158 WeakPolarHBondContact O-CA 3.45Å; T81-L159 PolarHBondContact N-O 3.34Å; T81-L159 PolarHBondContact O-N 3.45Å
82L84.1Confident81.8Confident1 Ų148 Ų481%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107.1136.6170.4-56.6-180000109.1Y74 I75 I80 I85 M154 A156 N157 W158 I174 L256Y74-L82 CarbonylContact C-O 3.6Å; Y74-L82 WeakPolarHBondContact CA-O 2.97Å; Y74-L82 WeakPolarHBondContact CB-O 3.46Å; I75-L82 HydrophobicContact CB-CB 4.2Å; I75-L82 PolarHBondContact N-O 3.34Å; I75-L82 PolarHBondContact O-N 2.9Å; I80-L82 HydrophobicContact CD1-CD2 3.77Å; I80-L82 HydrophobicContact CD1-CG 4.46Å; I80-L82 HydrophobicContact CG1-CD2 4.01Å; I80-L82 HydrophobicContact CG1-CG 4.45Å; L82-I85 HydrophobicContact CB-CD1 3.61Å; L82-I85 HydrophobicContact CB-CG1 3.98Å; L82-I85 HydrophobicContact CD1-CD1 4.41Å; L82-M154 HydrophobicContact CD1-CE 3.84Å; L82-M154 HydrophobicContact CD1-SD 4.44Å; L82-A156 HydrophobicContact CB-CB 4.13Å; L82-A156 HydrophobicContact CD2-CB 4.29Å; L82-N157 CarbonylContact C-O 3.5Å; L82-N157 VanDerWaalsContact CA-O 3.28Å; L82-N157 WeakPolarHBondContact CA-O 3.49Å; L82-W158 HydrophobicContact CD2-CB 3.58Å; L82-I174 HydrophobicContact CD2-CG2 3.73Å; L82-L256 HydrophobicContact CD1-CD2 4.42Å
83K87.7Confident81.8Confident88 Ų8847.8 Ų47.838%0.38323%0.227SC..EExtended strand (participates in β ladder)trans-133.9159.2178.1-64.3-178.9-178.4174.40110.8D73 T81 I85 N157D73-K83 WeakPolarHBondContact O-CA 3.49Å; T81-K83 HydrophobicContact CG2-CG 4.2Å; K83-I85 VanDerWaalsContact C-N 3.27Å; K83-I85 PolarHBondContact O-N 3.44Å; K83-N157 HydrophobicContact CB-CB 4.26Å; K83-N157 PolarHBondContact N-O 3.42Å; K83-N157 PolarHBondContact O-N 3.48Å
84N87.6Confident81.7Confident104 Ų10442.4 Ų42.456%0.55620%0.2SC*.EExtended strand (participates in β ladder)trans51.548.2177.3-54.6-35.5000111.8D73 T86 N157D73-N84 PolarHBondContact O-N 3.46Å; N84-T86 PolarHBondContact O-N 3.21Å; N84-N157 WeakPolarHBondContact CB-OD1 3.38Å; N84-N157 PolarHBondContact ND2-OD1 2.95Å
85I86.8Confident81.2Confident0 Ų036.4 Ų36.40%018%0.177CC..EExtended strand (participates in β ladder)trans-81.6124.1-168.9-47.3173.5000108.3Q71 I72 I75 L82 K83 I87 M154 F155 A156Q71-I85 CarbonylContact C-O 3.55Å; Q71-I85 WeakPolarHBondContact CA-O 3.38Å; Q71-I85 PolarHBondContact OE1-O 2.69Å; I72-I85 HydrophobicContact CB-CB 4.02Å; I72-I85 HydrophobicContact CD1-CB 4.4Å; I72-I85 HydrophobicContact CD1-CG2 4.09Å; I72-I85 HydrophobicContact CG2-CB 4.44Å; I72-I85 HydrophobicContact CG2-CD1 4.05Å; I72-I85 PolarHBondContact N-O 3.31Å; I72-I85 PolarHBondContact O-N 3.48Å; I75-I85 HydrophobicContact CB-CD1 3.96Å; I75-I85 HydrophobicContact CD1-CD1 3.52Å; I75-I85 HydrophobicContact CG1-CD1 3.5Å; I75-I85 VanDerWaalsContact CG1-CD1 3.5Å; L82-I85 HydrophobicContact CB-CD1 3.61Å; L82-I85 HydrophobicContact CB-CG1 3.98Å; L82-I85 HydrophobicContact CD1-CD1 4.41Å; K83-I85 VanDerWaalsContact C-N 3.27Å; K83-I85 PolarHBondContact O-N 3.44Å; I85-I87 HydrophobicContact CG2-CG1 4.2Å; I85-M154 HydrophobicContact CG2-CG 3.38Å; I85-M154 HydrophobicContact CG2-SD 3.57Å; I85-M154 VanDerWaalsContact CG2-SD 3.57Å; I85-F155 CarbonylContact C-O 3.5Å; I85-F155 VanDerWaalsContact CA-O 3.26Å; I85-F155 WeakPolarHBondContact CA-O 3.34Å; I85-A156 HydrophobicContact CB-CB 4.16Å; I85-A156 HydrophobicContact CG1-CB 3.73Å; I85-A156 HydrophobicContact CG2-CB 4.23Å
86T89.2Confident80.6Confident16 Ų1636 Ų3610%0.09818%0.175CC..EExtended strand (participates in β ladder)trans-110.7132172-49.50000109.9F70 Q71 N84 W88 M154 F155F70-T86 CarbonylContact O-C 3.56Å; F70-T86 WeakPolarHBondContact O-CA 3.35Å; Q71-T86 PolarHBondContact NE2-OG1 3.06Å; Q71-T86 PolarHBondContact OE1-OG1 2.95Å; N84-T86 PolarHBondContact O-N 3.21Å; T86-W88 HydrophobicContact CG2-CD2 4.05Å; T86-W88 HydrophobicContact CG2-CH2 3.79Å; T86-W88 HydrophobicContact CG2-CZ2 3.19Å; T86-W88 HydrophobicContact CG2-CZ3 4.4Å; T86-M154 CarbonylContact O-C 3.58Å; T86-M154 WeakPolarHBondContact O-CA 3.41Å; T86-F155 PolarHBondContact N-O 3.41Å; T86-F155 PolarHBondContact O-N 3.46Å
87I87.4Confident79.7Confident5 Ų534.7 Ų34.73%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-120.3134.5177.2-51.4-175.6000110.7S69 F70 I72 I85 F90 V152 E153 M154 L260S69-I87 CarbonylContact C-O 3.55Å; S69-I87 WeakPolarHBondContact CA-O 3.47Å; F70-I87 PolarHBondContact N-O 3.19Å; F70-I87 PolarHBondContact O-N 3.29Å; I72-I87 HydrophobicContact CD1-CD1 3.33Å; I72-I87 HydrophobicContact CD1-CG1 3.82Å; I85-I87 HydrophobicContact CG2-CG1 4.2Å; I87-F90 HydrophobicContact CB-CE2 4.07Å; I87-F90 HydrophobicContact CG2-CD2 4.32Å; I87-F90 HydrophobicContact CG2-CE2 3.42Å; I87-F90 VanDerWaalsContact CG2-CE2 3.42Å; I87-F90 HydrophobicContact CG2-CZ 3.94Å; I87-V152 HydrophobicContact CG2-CG1 3.54Å; I87-E153 CarbonylContact C-O 3.52Å; I87-E153 VanDerWaalsContact CA-O 3.27Å; I87-E153 WeakPolarHBondContact CA-O 3.45Å; I87-E153 WeakPolarHBondContact CG2-O 3.44Å; I87-M154 HydrophobicContact CD1-CG 4.49Å; I87-M154 HydrophobicContact CG1-CB 4.21Å; I87-M154 HydrophobicContact CG1-CG 3.99Å; I87-L260 HydrophobicContact CD1-CD2 4.01Å; I87-L260 HydrophobicContact CG2-CD2 4.33Å
88W89.1Confident78.4Confident86 Ų8641 Ų4133%0.32620%0.197SC..EExtended strand (participates in β ladder)trans-125.6173.1176.7-51.1-92.5000112.1T86 V152 E153 F155T86-W88 HydrophobicContact CG2-CD2 4.05Å; T86-W88 HydrophobicContact CG2-CH2 3.79Å; T86-W88 HydrophobicContact CG2-CZ2 3.19Å; T86-W88 HydrophobicContact CG2-CZ3 4.4Å; W88-V152 WeakPolarHBondContact O-CA 3.44Å; W88-E153 HydrophobicContact CE3-CB 4.03Å; W88-E153 PolarHBondContact N-O 3.29Å; W88-E153 PolarHBondContact O-N 3.12Å; W88-E153 VanDerWaalsContact O-N 3.16Å; W88-F155 HydrophobicContact CH2-CB 3.35Å; W88-F155 HydrophobicContact CH2-CG 4.18Å; W88-F155 HydrophobicContact CZ3-CB 3.37Å
89G83.8Confident77.1Confident10 Ų1040 Ų4010%0.10319%0.194CC..  trans98.6-1.2170.400000115.4D91 G92G89-D91 PolarHBondContact O-N 3.45Å; G89-G92 PolarHBondContact O-N 2.84Å
90F81.8Confident75.9Confident6 Ų644.6 Ų44.63%0.02622%0.219CC..G310 helixtrans-68.9-14.4177.1-68.1-74.9000114.1L64 F70 I87 G92 L93 L148 L260 V264L64-F90 HydrophobicContact CB-CB 4.06Å; L64-F90 HydrophobicContact CD1-CB 4.1Å; L64-F90 HydrophobicContact CD2-CB 3.82Å; L64-F90 HydrophobicContact CD2-CG 4.3Å; L64-F90 HydrophobicContact CG-CB 4.19Å; F70-F90 AromaticContact CD2-CD2 3.38Å; F70-F90 HydrophobicContact CD2-CD2 3.38Å; F70-F90 AromaticContact CD2-CE2 3.56Å; F70-F90 HydrophobicContact CD2-CE2 3.56Å; F70-F90 HydrophobicContact CD2-CG 4.36Å; F70-F90 HydrophobicContact CE2-CB 4.14Å; F70-F90 AromaticContact CE2-CD2 3.43Å; F70-F90 HydrophobicContact CE2-CD2 3.43Å; F70-F90 VanDerWaalsContact CE2-CD2 3.43Å; F70-F90 HydrophobicContact CE2-CE2 4.04Å; F70-F90 HydrophobicContact CE2-CG 4.01Å; I87-F90 HydrophobicContact CB-CE2 4.07Å; I87-F90 HydrophobicContact CG2-CD2 4.32Å; I87-F90 HydrophobicContact CG2-CE2 3.42Å; I87-F90 VanDerWaalsContact CG2-CE2 3.42Å; I87-F90 HydrophobicContact CG2-CZ 3.94Å; F90-G92 PolarHBondContact O-N 3.24Å; F90-L93 WeakPolarHBondContact O-CB 3.35Å; F90-L93 PolarHBondContact O-N 2.91Å; F90-L148 HydrophobicContact CD1-CD1 4.41Å; F90-L260 HydrophobicContact CE1-CD2 4.42Å; F90-L260 HydrophobicContact CZ-CD2 3.8Å; F90-V264 HydrophobicContact CD1-CG2 4.31Å; F90-V264 HydrophobicContact CE1-CG2 3.6Å; F90-V264 HydrophobicContact CZ-CG2 4.36Å
91D79.4Confident74.5Confident50 Ų5051.7 Ų51.727%0.26726%0.257SS..G310 helixtrans-66.1-19.6173.269.8-42.4000112.4A65 G89 L93 K150A65-D91 HydrophobicContact CB-CB 4.27Å; G89-D91 PolarHBondContact O-N 3.45Å; D91-L93 PolarHBondContact O-N 2.86Å; D91-K150 IonicContact OD1-NZ 2.67Å; D91-K150 IonicContact OD2-NZ 3.73Å; D91-K150 PolarHBondContact OD2-NZ 2.94Å
92G78.2Confident73.8Confident8 Ų853.4 Ų53.48%0.08226%0.264CS..G310 helixtrans-73.83.3173.100000115.4G89 F90 S94 N149G89-G92 PolarHBondContact O-N 2.84Å; F90-G92 PolarHBondContact O-N 3.24Å; G92-S94 PolarHBondContact O-N 3.36Å; G92-N149 PolarHBondContact O-N 3.01Å
93L80.4Confident73.3Confident7 Ų754.5 Ų54.54%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-58.8125-177.3-154.586.7000111.7F57 T60 K61 L64 F90 D91 I146 L148F57-L93 HydrophobicContact CD2-CD2 4.19Å; F57-L93 HydrophobicContact CE1-CD2 4.47Å; F57-L93 HydrophobicContact CE2-CD2 3.35Å; F57-L93 HydrophobicContact CE2-CG 3.86Å; F57-L93 HydrophobicContact CZ-CB 4.34Å; F57-L93 HydrophobicContact CZ-CD2 3.51Å; F57-L93 HydrophobicContact CZ-CG 3.7Å; T60-L93 HydrophobicContact CG2-CD2 4.37Å; K61-L93 WeakPolarHBondContact CD-O 3.29Å; K61-L93 WeakPolarHBondContact CE-O 3.21Å; K61-L93 PolarHBondContact NZ-O 2.74Å; L64-L93 HydrophobicContact CD1-CB 4.27Å; L64-L93 HydrophobicContact CD1-CD1 4.36Å; L64-L93 HydrophobicContact CD1-CD2 3.88Å; L64-L93 HydrophobicContact CD1-CG 4.4Å; F90-L93 WeakPolarHBondContact O-CB 3.35Å; F90-L93 PolarHBondContact O-N 2.91Å; D91-L93 PolarHBondContact O-N 2.86Å; L93-I146 HydrophobicContact CD1-CG2 3.51Å; L93-I146 HydrophobicContact CD2-CG2 4.17Å; L93-I146 HydrophobicContact CG-CG2 3.56Å; L93-L148 HydrophobicContact CB-CD2 4.1Å; L93-L148 HydrophobicContact CD1-CD2 3.58Å; L93-L148 HydrophobicContact CD1-CG 4.23Å; L93-L148 HydrophobicContact CG-CD2 4.42Å
94S79.5Confident73.1Confident24 Ų2452.2 Ų52.217%0.16826%0.264CS..EExtended strand (participates in β ladder)trans-136.6142174.692.50000110.9G92 I146 E147 N149G92-S94 PolarHBondContact O-N 3.36Å; S94-I146 WeakPolarHBondContact O-CA 3.31Å; S94-I146 WeakPolarHBondContact O-CG2 3.23Å; S94-E147 PolarHBondContact N-O 3.17Å; S94-E147 PolarHBondContact O-N 3.01Å; S94-E147 VanDerWaalsContact O-O 3.13Å; S94-E147 WeakPolarHBondContact OG-CG 3.5Å; S94-N149 VanDerWaalsContact CB-OD1 3.25Å; S94-N149 WeakPolarHBondContact CB-OD1 3.48Å; S94-N149 PolarHBondContact OG-OD1 2.89Å
95Q73.4Confident72.6Confident25 Ų2549 Ų4912%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-86.1131.9176.8-168.8-175.36.500108.1N54 F57 N97 F144N54-Q95 PolarHBondContact OD1-OE1 3.01Å; N54-Q95 VanDerWaalsContact OD1-OE1 3.12Å; F57-Q95 HydrophobicContact CD1-CB 3.94Å; F57-Q95 HydrophobicContact CD2-CB 4.32Å; F57-Q95 HydrophobicContact CE1-CB 3.75Å; F57-Q95 HydrophobicContact CE2-CB 4.14Å; F57-Q95 HydrophobicContact CG-CB 4.23Å; F57-Q95 HydrophobicContact CZ-CB 3.86Å; Q95-N97 VanDerWaalsContact C-N 3.31Å; Q95-N97 VanDerWaalsContact CD-ND2 3.27Å; Q95-N97 VanDerWaalsContact CG-OD1 3.26Å; Q95-N97 WeakPolarHBondContact CG-OD1 3.48Å; Q95-N97 PolarHBondContact NE2-OD1 3.27Å; Q95-N97 VanDerWaalsContact NE2-OD1 3.1Å; Q95-N97 PolarHBondContact O-N 3.44Å; Q95-N97 PolarHBondContact OE1-ND2 3.45Å; Q95-N97 PolarHBondContact OE1-OD1 3.08Å; Q95-F144 HydrophobicContact CG-CD2 4.26Å
96I67.3Low72.3Confident10 Ų1053.5 Ų53.55%0.05127%0.268CS..  trans-84.686.2-179.9-43.3176.8000107.3S145 E147 R182I96-S145 PolarHBondContact N-O 3.28Å; I96-S145 VanDerWaalsContact N-O 3.07Å; I96-E147 HydrophobicContact CD1-CB 3.69Å; I96-E147 HydrophobicContact CD1-CG 4.15Å; I96-E147 WeakPolarHBondContact CD1-OE2 3.45Å; I96-E147 HydrophobicContact CG1-CB 3.95Å; I96-E147 HydrophobicContact CG1-CG 3.94Å; I96-R182 HydrophobicContact CD1-CG 3.79Å
97N58.2Low71.7Confident61 Ų6156.4 Ų56.433%0.32628%0.28SS..  trans-97.28.2-178-76-26.3000112.8Q95Q95-N97 VanDerWaalsContact C-N 3.31Å; Q95-N97 VanDerWaalsContact CD-ND2 3.27Å; Q95-N97 VanDerWaalsContact CG-OD1 3.26Å; Q95-N97 WeakPolarHBondContact CG-OD1 3.48Å; Q95-N97 PolarHBondContact NE2-OD1 3.27Å; Q95-N97 VanDerWaalsContact NE2-OD1 3.1Å; Q95-N97 PolarHBondContact O-N 3.44Å; Q95-N97 PolarHBondContact OE1-ND2 3.45Å; Q95-N97 PolarHBondContact OE1-OD1 3.08Å
98Q46.6Very low71.1Confident160 Ų16060.2 Ų60.275%0.74830%0.298SS*.SBendtrans-78.8-16.5-170.4-73.6-174.7-16.300114.4
99Y44.5Very low70.3Confident139 Ų13960 Ų6055%0.54530%0.3SS..  trans-132.7129.2178.6-59.5-76000110.3D101 Q102Y99-D101 PolarHBondContact O-N 3.16Å; Y99-D101 VanDerWaalsContact O-N 3.17Å; Y99-Q102 PolarHBondContact O-N 3.46Å; Y99-Q102 VanDerWaalsContact O-N 3.12Å
100D49.5Very low69.7Low120 Ų12061 Ų6164%0.64230%0.303SS*.G310 helixtrans-57.9-28.9179.4-83.7-29.6000111.8R50 Q102 F103R50-D100 IonicContact NH1-OD1 2.88Å; D100-Q102 PolarHBondContact O-N 2.94Å; D100-Q102 VanDerWaalsContact O-N 3.15Å; D100-F103 PolarHBondContact O-N 3.21Å; D100-F103 VanDerWaalsContact O-O 3.08Å
101D48.3Very low69.1Low152 Ų15264.7 Ų64.781%0.81332%0.317SS*.G310 helixtrans-63.7-20.3-179.7-35.4-11.2000113.2Y99Y99-D101 PolarHBondContact O-N 3.16Å; Y99-D101 VanDerWaalsContact O-N 3.17Å
102Q66.2Low68.3Low49 Ų4964.4 Ų64.423%0.22932%0.315CS..G310 helixtrans-96.9-3.6-176.6-63.6-172.7300113.2Y99 D100 F144 S145Y99-Q102 PolarHBondContact O-N 3.46Å; Y99-Q102 VanDerWaalsContact O-N 3.12Å; D100-Q102 PolarHBondContact O-N 2.94Å; D100-Q102 VanDerWaalsContact O-N 3.15Å; Q102-F144 VanDerWaalsContact O-CA 3.24Å; Q102-F144 WeakPolarHBondContact O-CA 3.33Å; Q102-S145 PolarHBondContact O-N 2.76Å
103F75.3Confident67.2Low24 Ų2468.3 Ų68.311%0.10533%0.331CS..EExtended strand (participates in β ladder)trans-126.5109.4174.4-175.8-87.2000109.3R50 I53 D100 I105 I142 K143 F144R50-F103 HydrophobicContact CB-CE1 3.97Å; R50-F103 HydrophobicContact CB-CZ 3.93Å; R50-F103 HydrophobicContact CG-CD1 4.43Å; R50-F103 HydrophobicContact CG-CE1 3.72Å; R50-F103 HydrophobicContact CG-CE2 4.3Å; R50-F103 HydrophobicContact CG-CZ 3.68Å; I53-F103 HydrophobicContact CB-CE2 4.47Å; I53-F103 HydrophobicContact CG2-CE2 4.19Å; D100-F103 PolarHBondContact O-N 3.21Å; D100-F103 VanDerWaalsContact O-O 3.08Å; F103-I105 HydrophobicContact CD1-CG1 4.37Å; F103-I105 HydrophobicContact CE1-CD1 3.42Å; F103-I105 VanDerWaalsContact CE1-CD1 3.42Å; F103-I105 HydrophobicContact CE1-CG1 3.49Å; F103-I105 VanDerWaalsContact CE1-CG1 3.49Å; F103-I105 HydrophobicContact CZ-CD1 3.72Å; F103-I105 HydrophobicContact CZ-CG1 3.83Å; F103-I142 HydrophobicContact CE2-CG2 4.04Å; F103-I142 HydrophobicContact CZ-CG2 4Å; F103-K143 CarbonylContact C-O 3.54Å; F103-K143 WeakPolarHBondContact CA-O 3.33Å; F103-F144 HydrophobicContact CD2-CB 3.63Å; F103-F144 HydrophobicContact CE2-CB 4.19Å
104S81.8Confident65.5Low41 Ų4171 Ų7129%0.28735%0.351SS..EExtended strand (participates in β ladder)trans-119.7142.417677.50000111.6I142 K143S104-I142 CarbonylContact O-C 3.56Å; S104-I142 WeakPolarHBondContact O-CA 3.34Å; S104-K143 PolarHBondContact N-O 2.89Å; S104-K143 PolarHBondContact O-N 2.8Å
105I77.8Confident64Low36 Ų3677 Ų7719%0.18538%0.381CS..EExtended strand (participates in β ladder)trans-125.4117.3169.2-59174.2000106.9L46 V49 F103 Y140 K141 I142L46-I105 HydrophobicContact CD2-CB 3.92Å; L46-I105 HydrophobicContact CD2-CD1 4.27Å; L46-I105 HydrophobicContact CD2-CG2 3.53Å; V49-I105 HydrophobicContact CB-CD1 4.02Å; V49-I105 HydrophobicContact CG1-CD1 3.73Å; F103-I105 HydrophobicContact CD1-CG1 4.37Å; F103-I105 HydrophobicContact CE1-CD1 3.42Å; F103-I105 VanDerWaalsContact CE1-CD1 3.42Å; F103-I105 HydrophobicContact CE1-CG1 3.49Å; F103-I105 VanDerWaalsContact CE1-CG1 3.49Å; F103-I105 HydrophobicContact CZ-CD1 3.72Å; F103-I105 HydrophobicContact CZ-CG1 3.83Å; I105-Y140 HydrophobicContact CG2-CD1 3.79Å; I105-Y140 HydrophobicContact CG2-CG 4.43Å; I105-K141 WeakPolarHBondContact CA-O 3.5Å; I105-I142 HydrophobicContact CG1-CG1 4.25Å; I105-I142 HydrophobicContact CG1-CG2 4.17Å; I105-I142 HydrophobicContact CG2-CG1 4.36Å
106E80.8Confident62.9Low95 Ų9582.4 Ų82.444%0.44440%0.404SS..EExtended strand (participates in β ladder)trans-107.6129.6171.9-66.2165.3-15200108.3Y140 K141 K143E106-Y140 CarbonylContact O-C 3.5Å; E106-Y140 VanDerWaalsContact O-CA 3.31Å; E106-Y140 WeakPolarHBondContact O-CA 3.5Å; E106-K141 HydrophobicContact CB-CB 4.31Å; E106-K141 PolarHBondContact N-O 3.28Å; E106-K141 PolarHBondContact O-N 2.78Å; E106-K143 IonicContact OE1-NZ 2.73Å
107Q76.3Confident62.1Low76 Ų7688.3 Ų88.336%0.35545%0.446SS..EExtended strand (participates in β ladder)trans-98.6131.6175.1-175.7-177.2-30.600109.9I139 Y140Q107-I139 CarbonylContact C-O 3.43Å; Q107-I139 WeakPolarHBondContact CA-O 3.11Å; Q107-Y140 HydrophobicContact CB-CD1 3.86Å; Q107-Y140 HydrophobicContact CB-CE1 3.72Å; Q107-Y140 HydrophobicContact CG-CD1 4Å; Q107-Y140 HydrophobicContact CG-CE1 3.55Å; Q107-Y140 VanDerWaalsContact OE1-CE1 3.28Å; Q107-Y140 PolarHBondContact OE1-OH 3.33Å
108E74.6Confident61.7Low86 Ų8693.8 Ų93.840%0.40247%0.47SS..EExtended strand (participates in β ladder)trans-122.6138.4171.7-178.1174.8179.600109I139 K141E108-I139 HydrophobicContact CB-CB 4.41Å; E108-I139 PolarHBondContact N-O 3.43Å; E108-I139 PolarHBondContact O-N 2.91Å; E108-K141 WeakPolarHBondContact OE2-CE 3.28Å; E108-K141 IonicContact OE2-NZ 2.74Å; E108-K141 PolarHBondContact OE2-NZ 2.91Å
109E73.3Confident61.5Low80 Ų8089 Ų8937%0.37445%0.452SS..EExtended strand (participates in β ladder)trans-106.4124.1177.3-53.5-162148.900109.8R6 W111 K135R6-E109 IonicContact NH1-OE1 2.75Å; E109-W111 WeakPolarHBondContact OE2-CZ2 3.45Å; E109-W111 PolarHBondContact OE2-NE1 2.96Å; E109-K135 IonicContact OE1-NZ 3.33Å; E109-K135 PolarHBondContact OE1-NZ 2.78Å; E109-K135 IonicContact OE2-NZ 2.89Å; E109-K135 PolarHBondContact OE2-NZ 3.29Å
110I71.5Confident61.6Low31 Ų3186.1 Ų86.116%0.15945%0.447CS..EExtended strand (participates in β ladder)trans-93.9123.1174.8-62.4-159.9000110L136 C137 I139I110-L136 HydrophobicContact CG2-CB 4.23Å; I110-L136 HydrophobicContact CG2-CD1 4.17Å; I110-L136 PolarHBondContact O-N 3.36Å; I110-C137 PolarHBondContact N-O 3.27Å; I110-I139 HydrophobicContact CD1-CD1 3.34Å; I110-I139 HydrophobicContact CD1-CG1 4.1Å; I110-I139 HydrophobicContact CG1-CD1 3.9Å; I110-I139 HydrophobicContact CG1-CG1 4.17Å
111W69.4Low61.6Low85 Ų8586 Ų8632%0.32246%0.455SS..EExtended strand (participates in β ladder)trans-121.1139.5178.8-65.681.4000110.7E109 Q113 K135E109-W111 WeakPolarHBondContact OE2-CZ2 3.45Å; E109-W111 PolarHBondContact OE2-NE1 2.96Å; W111-Q113 HydrophobicContact CB-CG 3.63Å; W111-Q113 PolarHBondContact O-N 3.33Å; W111-K135 HydrophobicContact CD2-CB 3.71Å; W111-K135 HydrophobicContact CD2-CG 4.24Å; W111-K135 HydrophobicContact CE3-CB 3.59Å; W111-K135 HydrophobicContact CG-CB 4.43Å; W111-K135 HydrophobicContact CH2-CB 3.86Å; W111-K135 HydrophobicContact CH2-CD 4.31Å; W111-K135 HydrophobicContact CZ2-CB 3.97Å; W111-K135 HydrophobicContact CZ2-CD 3.83Å; W111-K135 HydrophobicContact CZ2-CG 4.3Å; W111-K135 HydrophobicContact CZ3-CB 3.67Å
112L62.2Low61.5Low44 Ų4484.2 Ų84.223%0.2345%0.445CS..  trans-76.895.3159.3-91.5153.6000108D133 V134 L136L112-D133 WeakPolarHBondContact O-CA 3.07Å; L112-D133 PolarHBondContact O-N 3.42Å; L112-V134 PolarHBondContact N-O 3.08Å; L112-L136 HydrophobicContact CD1-CD1 3.74Å; L112-L136 HydrophobicContact CD1-CD2 3.65Å; L112-L136 HydrophobicContact CD1-CG 3.79Å; L112-L136 HydrophobicContact CG-CD1 3.79Å; L112-L136 HydrophobicContact CG-CG 4.14Å
113Q53.7Low60.5Low89 Ų8985.2 Ų85.242%0.41646%0.455SS..  trans-104.6125.5179.4-67.8-178.7-8.200110.7W111 N115W111-Q113 HydrophobicContact CB-CG 3.63Å; W111-Q113 PolarHBondContact O-N 3.33Å; Q113-N115 VanDerWaalsContact C-N 3.35Å; Q113-N115 PolarHBondContact O-N 3.47Å
114S45.2Very low59.3Low64 Ų6489.9 Ų89.945%0.44849%0.49SS..THydrogen-bonded Turntrans-78-11.1-171.360.20000115.5
115N49.1Very low57.9Low150 Ų15091.5 Ų91.580%0.80250%0.495SS*.THydrogen-bonded Turntrans-110.415.6-163.9-65.20000115Q113Q113-N115 VanDerWaalsContact C-N 3.35Å; Q113-N115 PolarHBondContact O-N 3.47Å
116K49.9Very low56.5Low139 Ų13999.8 Ų99.860%0.60453%0.53SS*.SBendtrans-103.5138.1170.6-74.1-172176.7179.60110.3Q118 P119K116-Q118 PolarHBondContact O-N 3.42Å; K116-Q118 VanDerWaalsContact O-N 3.15Å; K116-P119 HydrophobicContact CB-CB 4.48Å; K116-P119 WeakPolarHBondContact O-CD 3.34Å
117S50.9Low54.8Low134 Ų134102.3 Ų102.394%0.93754%0.542SS*.SBendtrans-62.5-18179.1490000113.8
118Q48.7Very low53.4Low176 Ų176106.3 Ų106.382%0.82255%0.554SS**SBendtrans-142.991.8167.9-70.1-178.2-20.100109.1K116K116-Q118 PolarHBondContact O-N 3.42Å; K116-Q118 VanDerWaalsContact O-N 3.15Å
119P43.6Very low52Low58 Ų58109 Ų10938%0.37757%0.568SS.*  trans-90.7116.7171.427.1-14000108.7K116K116-P119 HydrophobicContact CB-CB 4.48Å; K116-P119 WeakPolarHBondContact O-CD 3.34Å
120N46.5Very low50.7Low80 Ų80113.6 Ų113.643%0.42859%0.591SS.*  trans45.687.8167.6-56.2-18.8000114.5D122 V123N120-D122 PolarHBondContact O-N 2.92Å; N120-V123 HydrophobicContact CB-CG2 4.27Å; N120-V123 PolarHBondContact O-N 2.93Å
121S49.3Very low49.5Very low118 Ų118117.7 Ų117.783%0.82561%0.608SS**THydrogen-bonded Turntrans-53-7.8177.346.60000115.9
122D46.3Very low48.8Very low113 Ų113123 Ų12360%0.60463%0.628SS**THydrogen-bonded Turntrans-107.41.5-164-50.2-18.8000113N120N120-D122 PolarHBondContact O-N 2.92Å
123V44.2Very low48.8Very low70 Ų70125.8 Ų125.842%0.42464%0.643SS.*  trans-104.3104.2-176.6-173.40000111.6N120 I125N120-V123 HydrophobicContact CB-CG2 4.27Å; N120-V123 PolarHBondContact O-N 2.93Å; V123-I125 HydrophobicContact CG1-CD1 4.46Å; V123-I125 HydrophobicContact CG1-CG1 4.31Å; V123-I125 PolarHBondContact O-N 3.32Å
124S49.2Very low49.2Very low122 Ų122124 Ų12485%0.85364%0.639SS**  trans-98.550.8-174.753.10000114.4
125I52.5Low50.3Low75 Ų75121.2 Ų121.239%0.38562%0.618SS.*  trans-114.4121.1-177.9-53.2179.5000111.9V123 E127 W128 L285V123-I125 HydrophobicContact CG1-CD1 4.46Å; V123-I125 HydrophobicContact CG1-CG1 4.31Å; V123-I125 PolarHBondContact O-N 3.32Å; I125-E127 HydrophobicContact CG2-CB 4.13Å; I125-E127 PolarHBondContact O-N 3.39Å; I125-E127 VanDerWaalsContact O-N 3.14Å; I125-W128 PolarHBondContact O-N 3.07Å; I125-L285 HydrophobicContact CD1-CD2 3.98Å
126K49Very low51.3Low210 Ų210115.1 Ų115.191%0.91359%0.585SS**THydrogen-bonded Turntrans-61-16.3178.2-91.6-178.8174.4177.90115
127E45Very low52.5Low148 Ų148108.5 Ų108.569%0.69256%0.557SS**THydrogen-bonded Turntrans-93.23.4-176.2-65.5175.1163.200114.6I125 M129 M130I125-E127 HydrophobicContact CG2-CB 4.13Å; I125-E127 PolarHBondContact O-N 3.39Å; I125-E127 VanDerWaalsContact O-N 3.14Å; E127-M129 PolarHBondContact O-N 3.01Å; E127-M130 PolarHBondContact O-N 3.3Å
128W47.1Very low53.6Low161 Ų161102.2 Ų102.261%0.6151%0.512SS*.G310 helixtrans-56.5-25.6-174.675.4-79.5000114.6I125 M130I125-W128 PolarHBondContact O-N 3.07Å; W128-M130 PolarHBondContact O-N 3.42Å
129M44.8Very low55.1Low141 Ų14194.1 Ų94.170%0.69548%0.475SS*.G310 helixtrans-64.3-18.7-179-81177.549.900114.9E127E127-M129 PolarHBondContact O-N 3.01Å
130M46.4Very low56.8Low177 Ų17791.6 Ų91.687%0.87246%0.458SS*.G310 helixtrans-104.4-8.5-172-68.8-165.217900115.7E127 W128E127-M130 PolarHBondContact O-N 3.3Å; W128-M130 PolarHBondContact O-N 3.42Å
131K45.9Very low58.7Low118 Ų11890.8 Ų90.851%0.51345%0.451SS..  trans-124.984.7-177.2-70-172.5179.9178.50111.1V134K131-V134 HydrophobicContact CB-CG2 4.05Å
132R55.2Low60.4Low196 Ų19685.1 Ų85.174%0.7441%0.411SS*.THydrogen-bonded Turntrans-78.2141.7179.4-60.3179.8-178178.1-0.8110.8V134R132-V134 VanDerWaalsContact C-N 3.26Å; R132-V134 PolarHBondContact O-N 3.15Å
133D62.6Low62.4Low102 Ų10283.9 Ų83.955%0.54540%0.4SS..THydrogen-bonded Turntrans53.933.8173.3-55.9-36.6000115.8L112L112-D133 WeakPolarHBondContact O-CA 3.07Å; L112-D133 PolarHBondContact O-N 3.42Å
134V62.5Low64.3Low53 Ų5381.1 Ų81.132%0.32138%0.383SS..  trans-92.3118.8176.4-176.30000108.8L112 K131 R132 L136L112-V134 PolarHBondContact N-O 3.08Å; K131-V134 HydrophobicContact CB-CG2 4.05Å; R132-V134 VanDerWaalsContact C-N 3.26Å; R132-V134 PolarHBondContact O-N 3.15Å; V134-L136 PolarHBondContact O-N 3.37Å
135K67.3Low66.1Low4 Ų475.8 Ų75.82%0.01735%0.345CS..EExtended strand (participates in β ladder)trans-62.8131.4167.2175.5177.3-161.7164.20109.4M2 R6 E109 W111 D138 Q193M2-K135 HydrophobicContact CE-CD 3.46Å; M2-K135 VanDerWaalsContact CE-CD 3.46Å; R6-K135 VanDerWaalsContact CZ-NZ 3.3Å; R6-K135 VanDerWaalsContact NH2-CD 3.35Å; E109-K135 IonicContact OE1-NZ 3.33Å; E109-K135 PolarHBondContact OE1-NZ 2.78Å; E109-K135 IonicContact OE2-NZ 2.89Å; E109-K135 PolarHBondContact OE2-NZ 3.29Å; W111-K135 HydrophobicContact CD2-CB 3.71Å; W111-K135 HydrophobicContact CD2-CG 4.24Å; W111-K135 HydrophobicContact CE3-CB 3.59Å; W111-K135 HydrophobicContact CG-CB 4.43Å; W111-K135 HydrophobicContact CH2-CB 3.86Å; W111-K135 HydrophobicContact CH2-CD 4.31Å; W111-K135 HydrophobicContact CZ2-CB 3.97Å; W111-K135 HydrophobicContact CZ2-CD 3.83Å; W111-K135 HydrophobicContact CZ2-CG 4.3Å; W111-K135 HydrophobicContact CZ3-CB 3.67Å; K135-D138 WeakPolarHBondContact CE-OD1 3.31Å; K135-D138 IonicContact NZ-OD1 2.81Å; K135-D138 PolarHBondContact NZ-OD1 2.97Å; K135-D138 IonicContact NZ-OD2 3.54Å; K135-Q193 VanDerWaalsContact CB-NE2 3.31Å; K135-Q193 WeakPolarHBondContact O-CG 3.29Å; K135-Q193 PolarHBondContact O-NE2 2.96Å; K135-Q193 PolarHBondContact O-OE1 3.32Å
136L70.1Confident67.7Low22 Ų2272.4 Ų72.412%0.11533%0.328CS..EExtended strand (participates in β ladder)trans-92.6-52-177.8-73.9174.3000111.5I110 L112 V134 Q193I110-L136 HydrophobicContact CG2-CB 4.23Å; I110-L136 HydrophobicContact CG2-CD1 4.17Å; I110-L136 PolarHBondContact O-N 3.36Å; L112-L136 HydrophobicContact CD1-CD1 3.74Å; L112-L136 HydrophobicContact CD1-CD2 3.65Å; L112-L136 HydrophobicContact CD1-CG 3.79Å; L112-L136 HydrophobicContact CG-CD1 3.79Å; L112-L136 HydrophobicContact CG-CG 4.14Å; V134-L136 PolarHBondContact O-N 3.37Å; L136-Q193 PolarHBondContact O-N 3.21Å
137C74.5Confident69.5Low0 Ų065.2 Ų65.20%030%0.298CS..EExtended strand (participates in β ladder)trans-156162.4-175.860.90000111.9I110 I191 N192 C287I110-C137 PolarHBondContact N-O 3.27Å; C137-I191 CarbonylContact C-O 3.55Å; C137-I191 VanDerWaalsContact CA-O 3.24Å; C137-I191 WeakPolarHBondContact CA-O 3.21Å; C137-I191 WeakPolarHBondContact CB-O 3.35Å; C137-N192 WeakPolarHBondContact CB-OD1 3.36Å; C137-C287 HydrophobicContact CB-CB 3.87Å; C137-C287 WeakPolarHBondContact CB-SG 3.34Å; C137-C287 WeakPolarHBondContact SG-CB 3.41Å; C137-C287 CovalentContact SG-SG 2.05Å; C137-C287 PolarHBondContact SG-SG 2.64Å
138D75Confident71.4Confident2 Ų258.5 Ų58.51%0.01127%0.266CS..EExtended strand (participates in β ladder)trans-98.7141.8158.3-57.1-71.9000109.5R6 K135 Y140 F190 I191R6-D138 VanDerWaalsContact CZ-CG 3.44Å; R6-D138 IonicContact CZ-OD1 3.97Å; R6-D138 IonicContact CZ-OD2 2.79Å; R6-D138 IonicContact NE-OD2 3.41Å; R6-D138 PolarHBondContact NE-OD2 3.14Å; R6-D138 IonicContact NH1-OD1 2.63Å; R6-D138 PolarHBondContact NH1-OD1 2.84Å; R6-D138 IonicContact NH1-OD2 3.05Å; R6-D138 PolarHBondContact NH1-OD2 3.06Å; R6-D138 VanDerWaalsContact NH2-CG 3.33Å; R6-D138 IonicContact NH2-OD1 3.23Å; R6-D138 PolarHBondContact NH2-OD1 3.13Å; R6-D138 IonicContact NH2-OD2 3.39Å; R6-D138 PolarHBondContact NH2-OD2 3.37Å; K135-D138 WeakPolarHBondContact CE-OD1 3.31Å; K135-D138 IonicContact NZ-OD1 2.81Å; K135-D138 PolarHBondContact NZ-OD1 2.97Å; K135-D138 IonicContact NZ-OD2 3.54Å; D138-Y140 HydrophobicContact CB-CE2 3.91Å; D138-F190 CarbonylContact O-C 3.57Å; D138-F190 VanDerWaalsContact O-CA 3.31Å; D138-F190 WeakPolarHBondContact O-CA 3.36Å; D138-I191 PolarHBondContact N-O 2.94Å; D138-I191 PolarHBondContact O-N 2.8Å
139I80.1Confident73Confident7 Ų755.7 Ų55.74%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-116121.7171.4-57.1-168.9000107.6Q107 E108 I110 K141 R188 L189 F190Q107-I139 CarbonylContact C-O 3.43Å; Q107-I139 WeakPolarHBondContact CA-O 3.11Å; E108-I139 HydrophobicContact CB-CB 4.41Å; E108-I139 PolarHBondContact N-O 3.43Å; E108-I139 PolarHBondContact O-N 2.91Å; I110-I139 HydrophobicContact CD1-CD1 3.34Å; I110-I139 HydrophobicContact CD1-CG1 4.1Å; I110-I139 HydrophobicContact CG1-CD1 3.9Å; I110-I139 HydrophobicContact CG1-CG1 4.17Å; I139-K141 HydrophobicContact CG2-CG 4.36Å; I139-R188 HydrophobicContact CG2-CB 4.16Å; I139-R188 HydrophobicContact CG2-CG 4.03Å; I139-L189 CarbonylContact C-O 3.52Å; I139-L189 WeakPolarHBondContact CA-O 3.02Å; I139-F190 HydrophobicContact CD1-CD1 3.77Å; I139-F190 HydrophobicContact CD1-CE1 3.83Å; I139-F190 HydrophobicContact CG1-CD1 3.76Å; I139-F190 HydrophobicContact CG1-CE1 4.25Å; I139-F190 HydrophobicContact CG2-CD1 4.38Å; I139-F190 HydrophobicContact CG2-CE1 4.33Å
140Y80.4Confident74.9Confident4 Ų454.1 Ų54.12%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-100.1113.6166.4-60.4-93.4000108.2L46 I105 E106 Q107 D138 R188 L189 I191L46-Y140 HydrophobicContact CD2-CE1 4.48Å; I105-Y140 HydrophobicContact CG2-CD1 3.79Å; I105-Y140 HydrophobicContact CG2-CG 4.43Å; E106-Y140 CarbonylContact O-C 3.5Å; E106-Y140 VanDerWaalsContact O-CA 3.31Å; E106-Y140 WeakPolarHBondContact O-CA 3.5Å; Q107-Y140 HydrophobicContact CB-CD1 3.86Å; Q107-Y140 HydrophobicContact CB-CE1 3.72Å; Q107-Y140 HydrophobicContact CG-CD1 4Å; Q107-Y140 HydrophobicContact CG-CE1 3.55Å; Q107-Y140 VanDerWaalsContact OE1-CE1 3.28Å; Q107-Y140 PolarHBondContact OE1-OH 3.33Å; D138-Y140 HydrophobicContact CB-CE2 3.91Å; Y140-R188 CarbonylContact O-C 3.59Å; Y140-R188 WeakPolarHBondContact O-CA 3.39Å; Y140-L189 HydrophobicContact CD2-CD2 4.07Å; Y140-L189 HydrophobicContact CD2-CG 4.47Å; Y140-L189 PolarHBondContact N-O 3.48Å; Y140-L189 PolarHBondContact O-N 2.87Å; Y140-I191 HydrophobicContact CD2-CD1 4.3Å; Y140-I191 HydrophobicContact CE2-CD1 3.77Å; Y140-I191 HydrophobicContact CE2-CG1 4.31Å
141K85.8Confident77Confident63 Ų6348.7 Ų48.727%0.27423%0.227SC..EExtended strand (participates in β ladder)trans-82.9115.2168.5-66.1173.8-171.7161.30107.3I105 E106 E108 I139 L187 R188I105-K141 WeakPolarHBondContact CA-O 3.5Å; E106-K141 HydrophobicContact CB-CB 4.31Å; E106-K141 PolarHBondContact N-O 3.28Å; E106-K141 PolarHBondContact O-N 2.78Å; E108-K141 WeakPolarHBondContact OE2-CE 3.28Å; E108-K141 IonicContact OE2-NZ 2.74Å; E108-K141 PolarHBondContact OE2-NZ 2.91Å; I139-K141 HydrophobicContact CG2-CG 4.36Å; K141-L187 WeakPolarHBondContact CA-O 3.26Å; K141-R188 HydrophobicContact CG-CG 4.34Å
142I84.5Confident79Confident0 Ų043.1 Ų43.10%020%0.203CC..EExtended strand (participates in β ladder)trans-115.5118.4-174-51.9166.1000107.1V49 I53 F103 S104 I105 F144 S186 L187 L189V49-I142 HydrophobicContact CG1-CD1 3.49Å; V49-I142 VanDerWaalsContact CG1-CD1 3.49Å; V49-I142 HydrophobicContact CG1-CG1 4.16Å; I53-I142 HydrophobicContact CD1-CD1 3.74Å; I53-I142 HydrophobicContact CD1-CG2 4.33Å; I53-I142 HydrophobicContact CG1-CD1 3.94Å; I53-I142 HydrophobicContact CG1-CG2 3.89Å; F103-I142 HydrophobicContact CE2-CG2 4.04Å; F103-I142 HydrophobicContact CZ-CG2 4Å; S104-I142 CarbonylContact O-C 3.56Å; S104-I142 WeakPolarHBondContact O-CA 3.34Å; I105-I142 HydrophobicContact CG1-CG1 4.25Å; I105-I142 HydrophobicContact CG1-CG2 4.17Å; I105-I142 HydrophobicContact CG2-CG1 4.36Å; I142-F144 HydrophobicContact CG2-CD1 4.33Å; I142-S186 CarbonylContact O-C 3.55Å; I142-S186 WeakPolarHBondContact O-CA 3.24Å; I142-L187 HydrophobicContact CB-CB 4.26Å; I142-L187 PolarHBondContact N-O 2.84Å; I142-L187 PolarHBondContact O-N 2.88Å; I142-L189 HydrophobicContact CD1-CB 4.04Å
143K87.7Confident80.7Confident86 Ų8637.4 Ų37.437%0.37419%0.185SC..EExtended strand (participates in β ladder)trans-114.1134.2176.3-62.7172.8-175.2157.90109.3F103 S104 E106 V185F103-K143 CarbonylContact C-O 3.54Å; F103-K143 WeakPolarHBondContact CA-O 3.33Å; S104-K143 PolarHBondContact N-O 2.89Å; S104-K143 PolarHBondContact O-N 2.8Å; E106-K143 IonicContact OE1-NZ 2.73Å; K143-V185 CarbonylContact C-O 3.59Å; K143-V185 VanDerWaalsContact CA-O 3.29Å; K143-V185 WeakPolarHBondContact CA-O 3.49Å
144F85.5Confident82Confident13 Ų1333 Ų336%0.05716%0.161CC..EExtended strand (participates in β ladder)trans-151.8160.6175.665.1-77.8000112.3I53 F57 Q95 Q102 F103 I142 I146 V185 L187I53-F144 HydrophobicContact CG2-CD1 4.27Å; I53-F144 HydrophobicContact CG2-CE1 4.12Å; I53-F144 HydrophobicContact CG2-CZ 4.24Å; F57-F144 HydrophobicContact CD2-CE2 4.43Å; Q95-F144 HydrophobicContact CG-CD2 4.26Å; Q102-F144 VanDerWaalsContact O-CA 3.24Å; Q102-F144 WeakPolarHBondContact O-CA 3.33Å; F103-F144 HydrophobicContact CD2-CB 3.63Å; F103-F144 HydrophobicContact CE2-CB 4.19Å; I142-F144 HydrophobicContact CG2-CD1 4.33Å; F144-I146 HydrophobicContact CD2-CD1 4.41Å; F144-I146 HydrophobicContact CD2-CG1 3.86Å; F144-I146 HydrophobicContact CE2-CD1 3.63Å; F144-I146 HydrophobicContact CE2-CG1 3.56Å; F144-I146 HydrophobicContact CZ-CD1 4.32Å; F144-V185 HydrophobicContact CD1-CB 4.16Å; F144-V185 HydrophobicContact CD1-CG1 4.2Å; F144-V185 HydrophobicContact CD2-CB 4.39Å; F144-V185 HydrophobicContact CE1-CB 3.76Å; F144-V185 HydrophobicContact CE1-CG1 3.39Å; F144-V185 HydrophobicContact CE2-CB 4.07Å; F144-V185 HydrophobicContact CE2-CG1 4.27Å; F144-V185 HydrophobicContact CE2-CG2 4.36Å; F144-V185 HydrophobicContact CG-CB 4.45Å; F144-V185 HydrophobicContact CZ-CB 3.73Å; F144-V185 HydrophobicContact CZ-CG1 3.45Å; F144-V185 VanDerWaalsContact CZ-CG1 3.45Å; F144-V185 HydrophobicContact CZ-CG2 4.31Å; F144-V185 PolarHBondContact N-O 2.8Å; F144-V185 PolarHBondContact O-N 2.81Å; F144-L187 HydrophobicContact CD1-CD1 4.43Å; F144-L187 HydrophobicContact CE1-CD1 3.42Å; F144-L187 VanDerWaalsContact CE1-CD1 3.42Å; F144-L187 HydrophobicContact CE1-CG 3.89Å; F144-L187 HydrophobicContact CZ-CD1 4.04Å
145S86.4Confident83.3Confident10 Ų1032.9 Ų32.97%0.0716%0.156CC..EExtended strand (participates in β ladder)trans-106.5143.4175.5-61.40000112I96 Q102 F183 N184I96-S145 PolarHBondContact N-O 3.28Å; I96-S145 VanDerWaalsContact N-O 3.07Å; Q102-S145 PolarHBondContact O-N 2.76Å; S145-F183 CarbonylContact C-O 3.53Å; S145-F183 VanDerWaalsContact CA-O 3.28Å; S145-F183 WeakPolarHBondContact CA-O 3.27Å; S145-N184 PolarHBondContact OG-OD1 2.79Å
146I85.1Confident84.3Confident4 Ų432.7 Ų32.72%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-122.7140.9175.6-54173000107.3F57 L93 S94 F144 R182 F183 V185F57-I146 HydrophobicContact CD2-CD1 4.21Å; F57-I146 HydrophobicContact CD2-CG1 4.35Å; F57-I146 HydrophobicContact CE2-CB 4.33Å; F57-I146 HydrophobicContact CE2-CD1 3.86Å; F57-I146 HydrophobicContact CE2-CG1 3.81Å; F57-I146 HydrophobicContact CE2-CG2 3.64Å; F57-I146 HydrophobicContact CZ-CG2 4.04Å; L93-I146 HydrophobicContact CD1-CG2 3.51Å; L93-I146 HydrophobicContact CD2-CG2 4.17Å; L93-I146 HydrophobicContact CG-CG2 3.56Å; S94-I146 WeakPolarHBondContact O-CA 3.31Å; S94-I146 WeakPolarHBondContact O-CG2 3.23Å; F144-I146 HydrophobicContact CD2-CD1 4.41Å; F144-I146 HydrophobicContact CD2-CG1 3.86Å; F144-I146 HydrophobicContact CE2-CD1 3.63Å; F144-I146 HydrophobicContact CE2-CG1 3.56Å; F144-I146 HydrophobicContact CZ-CD1 4.32Å; I146-R182 CarbonylContact O-C 3.57Å; I146-R182 WeakPolarHBondContact O-CA 3.26Å; I146-F183 HydrophobicContact CB-CB 4.42Å; I146-F183 PolarHBondContact N-O 3.13Å; I146-F183 PolarHBondContact O-N 2.97Å; I146-V185 HydrophobicContact CD1-CB 4.5Å; I146-V185 HydrophobicContact CD1-CG2 3.49Å; I146-V185 VanDerWaalsContact CD1-CG2 3.49Å; I146-V185 HydrophobicContact CG1-CG2 4.04Å
147E87Confident85.1Confident59 Ų5933.1 Ų33.128%0.27616%0.158SC..EExtended strand (participates in β ladder)trans-121159.3166.375.5-175.6-139.800111.7S94 I96 N149 L181 R182S94-E147 PolarHBondContact N-O 3.17Å; S94-E147 PolarHBondContact O-N 3.01Å; S94-E147 VanDerWaalsContact O-O 3.13Å; S94-E147 WeakPolarHBondContact OG-CG 3.5Å; I96-E147 HydrophobicContact CD1-CB 3.69Å; I96-E147 HydrophobicContact CD1-CG 4.15Å; I96-E147 WeakPolarHBondContact CD1-OE2 3.45Å; I96-E147 HydrophobicContact CG1-CB 3.95Å; I96-E147 HydrophobicContact CG1-CG 3.94Å; E147-N149 WeakPolarHBondContact CG-OD1 3.19Å; E147-N149 PolarHBondContact OE1-OD1 2.87Å; E147-N149 VanDerWaalsContact OE1-OD1 3.1Å; E147-L181 VanDerWaalsContact CA-O 3.32Å; E147-L181 WeakPolarHBondContact CA-O 3.32Å; E147-R182 IonicContact OE2-NH2 3.61Å
148L84.9Confident85.4Confident6 Ų633.1 Ų33.13%0.03116%0.158CC..EExtended strand (participates in β ladder)trans-103.2108.9167.7-71.1167.3000108.2F90 L93 K150 V152 L181 F183F90-L148 HydrophobicContact CD1-CD1 4.41Å; L93-L148 HydrophobicContact CB-CD2 4.1Å; L93-L148 HydrophobicContact CD1-CD2 3.58Å; L93-L148 HydrophobicContact CD1-CG 4.23Å; L93-L148 HydrophobicContact CG-CD2 4.42Å; L148-K150 PolarHBondContact O-N 3.35Å; L148-V152 HydrophobicContact CD1-CG2 3.27Å; L148-V152 HydrophobicContact CG-CG2 4.41Å; L148-L181 HydrophobicContact CB-CB 4.39Å; L148-L181 HydrophobicContact CD1-CB 4.19Å; L148-L181 HydrophobicContact CD1-CD1 4.08Å; L148-L181 PolarHBondContact N-O 3Å; L148-F183 HydrophobicContact CD1-CE2 3.58Å; L148-F183 HydrophobicContact CD1-CZ 4.04Å; L148-F183 HydrophobicContact CG-CE2 4.05Å
149N81.4Confident85.5Confident103 Ų10334.1 Ų34.155%0.55116%0.163SC*.SBendtrans-73.9-7.3179.9-61.831.2000112.2G92 S94 E147G92-N149 PolarHBondContact O-N 3.01Å; S94-N149 VanDerWaalsContact CB-OD1 3.25Å; S94-N149 WeakPolarHBondContact CB-OD1 3.48Å; S94-N149 PolarHBondContact OG-OD1 2.89Å; E147-N149 WeakPolarHBondContact CG-OD1 3.19Å; E147-N149 PolarHBondContact OE1-OD1 2.87Å; E147-N149 VanDerWaalsContact OE1-OD1 3.1Å
150K85.6Confident85.2Confident107 Ų10734 Ų3447%0.46516%0.162SC..SBendtrans-116.1153.6172.8-67.1-174.8177-176.70108.7D91 L148D91-K150 IonicContact OD1-NZ 2.67Å; D91-K150 IonicContact OD2-NZ 3.73Å; D91-K150 PolarHBondContact OD2-NZ 2.94Å; L148-K150 PolarHBondContact O-N 3.35Å
151N89.2Confident84.7Confident64 Ų6436.1 Ų36.134%0.34217%0.172SC..  trans-63.7140.6171.7-61-14.3000109.5T177 L178N151-T177 HydrophobicContact CB-CG2 3.71Å; N151-L178 VanDerWaalsContact CA-O 3.3Å; N151-L178 WeakPolarHBondContact CA-O 3.44Å
152V88.4Confident83.3Confident1 Ų135.9 Ų35.91%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-86.9126166.4173.10000107.2I87 W88 L148 L178 L181 L260I87-V152 HydrophobicContact CG2-CG1 3.54Å; W88-V152 WeakPolarHBondContact O-CA 3.44Å; L148-V152 HydrophobicContact CD1-CG2 3.27Å; L148-V152 HydrophobicContact CG-CG2 4.41Å; V152-L178 HydrophobicContact CB-CB 4.21Å; V152-L178 HydrophobicContact CB-CD1 4.48Å; V152-L178 HydrophobicContact CG1-CD1 4.36Å; V152-L178 PolarHBondContact N-O 2.86Å; V152-L178 PolarHBondContact O-N 3.29Å; V152-L181 HydrophobicContact CB-CD1 3.97Å; V152-L181 HydrophobicContact CG2-CD1 3.69Å; V152-L260 HydrophobicContact CG1-CD2 4.16Å
153E90.8Very high81.8Confident76 Ų7645 Ų4536%0.35522%0.217SC..EExtended strand (participates in β ladder)trans-112.1134.6178.8-67-173.6-159.300109I87 W88 H175 V176 T177I87-E153 CarbonylContact C-O 3.52Å; I87-E153 VanDerWaalsContact CA-O 3.27Å; I87-E153 WeakPolarHBondContact CA-O 3.45Å; I87-E153 WeakPolarHBondContact CG2-O 3.44Å; W88-E153 HydrophobicContact CE3-CB 4.03Å; W88-E153 PolarHBondContact N-O 3.29Å; W88-E153 PolarHBondContact O-N 3.12Å; W88-E153 VanDerWaalsContact O-N 3.16Å; E153-H175 IonicContact OE2-CE1 3.49Å; E153-H175 PolarHBondContact OE2-CE1 3.44Å; E153-H175 IonicContact OE2-NE2 2.98Å; E153-H175 PolarHBondContact OE2-NE2 2.92Å; E153-V176 CarbonylContact C-O 3.56Å; E153-V176 WeakPolarHBondContact CA-O 3.27Å; E153-T177 HydrophobicContact CG-CG2 4.23Å
154M89.8Confident80.4Confident9 Ų946.7 Ų46.74%0.04422%0.221CC..EExtended strand (participates in β ladder)trans-122.7130.7174.8178.4-170.177.900108.9L82 I85 T86 I87 H175 V176 L256L82-M154 HydrophobicContact CD1-CE 3.84Å; L82-M154 HydrophobicContact CD1-SD 4.44Å; I85-M154 HydrophobicContact CG2-CG 3.38Å; I85-M154 HydrophobicContact CG2-SD 3.57Å; I85-M154 VanDerWaalsContact CG2-SD 3.57Å; T86-M154 CarbonylContact O-C 3.58Å; T86-M154 WeakPolarHBondContact O-CA 3.41Å; I87-M154 HydrophobicContact CD1-CG 4.49Å; I87-M154 HydrophobicContact CG1-CB 4.21Å; I87-M154 HydrophobicContact CG1-CG 3.99Å; M154-H175 CarbonylContact O-C 3.53Å; M154-H175 WeakPolarHBondContact O-CA 3.2Å; M154-H175 PolarHBondContact O-CD2 2.83Å; M154-V176 HydrophobicContact CB-CB 4.27Å; M154-V176 HydrophobicContact CE-CB 3.91Å; M154-V176 HydrophobicContact CE-CG2 3.4Å; M154-V176 PolarHBondContact N-O 3.1Å; M154-V176 PolarHBondContact O-N 2.87Å; M154-L256 HydrophobicContact CE-CD1 4.46Å; M154-L256 HydrophobicContact CE-CD2 3.64Å; M154-L256 HydrophobicContact SD-CD2 3.52Å; M154-L256 VanDerWaalsContact SD-CD2 3.52Å
155F90Very high78.9Confident50 Ų5050.9 Ų50.922%0.21924%0.244CC..EExtended strand (participates in β ladder)trans-119135.8172.7-175.5-108.2000109.9I85 T86 W88 F173 I174 H175 F217I85-F155 CarbonylContact C-O 3.5Å; I85-F155 VanDerWaalsContact CA-O 3.26Å; I85-F155 WeakPolarHBondContact CA-O 3.34Å; T86-F155 PolarHBondContact N-O 3.41Å; T86-F155 PolarHBondContact O-N 3.46Å; W88-F155 HydrophobicContact CH2-CB 3.35Å; W88-F155 HydrophobicContact CH2-CG 4.18Å; W88-F155 HydrophobicContact CZ3-CB 3.37Å; F155-F173 HydrophobicContact CD1-CD1 4.41Å; F155-F173 HydrophobicContact CD2-CB 4.46Å; F155-F173 AromaticContact CE1-CD1 3.41Å; F155-F173 HydrophobicContact CE1-CD1 3.41Å; F155-F173 VanDerWaalsContact CE1-CD1 3.41Å; F155-F173 AromaticContact CE1-CE1 3.64Å; F155-F173 HydrophobicContact CE1-CE1 3.64Å; F155-F173 HydrophobicContact CE1-CG 4.03Å; F155-F173 HydrophobicContact CE1-CZ 4.42Å; F155-F173 HydrophobicContact CE2-CB 3.43Å; F155-F173 VanDerWaalsContact CE2-CB 3.43Å; F155-F173 AromaticContact CE2-CD1 3.91Å; F155-F173 HydrophobicContact CE2-CD1 3.91Å; F155-F173 AromaticContact CE2-CG 3.77Å; F155-F173 HydrophobicContact CE2-CG 3.77Å; F155-F173 HydrophobicContact CZ-CB 3.5Å; F155-F173 VanDerWaalsContact CZ-CB 3.5Å; F155-F173 AromaticContact CZ-CD1 3.12Å; F155-F173 HydrophobicContact CZ-CD1 3.12Å; F155-F173 AromaticContact CZ-CD2 3.89Å; F155-F173 HydrophobicContact CZ-CD2 3.89Å; F155-F173 AromaticContact CZ-CE1 3.68Å; F155-F173 HydrophobicContact CZ-CE1 3.68Å; F155-F173 HydrophobicContact CZ-CE2 4.33Å; F155-F173 AromaticContact CZ-CG 3.24Å; F155-F173 HydrophobicContact CZ-CG 3.24Å; F155-F173 HydrophobicContact CZ-CZ 4.26Å; F155-I174 WeakPolarHBondContact CA-O 3.25Å; F155-H175 HydrophobicContact CD2-CB 4.41Å; F155-F217 HydrophobicContact CD2-CE1 4.4Å; F155-F217 HydrophobicContact CD2-CZ 4.15Å; F155-F217 AromaticContact CE2-CE1 3.75Å; F155-F217 HydrophobicContact CE2-CE1 3.75Å; F155-F217 AromaticContact CE2-CE2 3.92Å; F155-F217 HydrophobicContact CE2-CE2 3.92Å; F155-F217 AromaticContact CE2-CZ 3.2Å; F155-F217 HydrophobicContact CE2-CZ 3.2Å; F155-F217 HydrophobicContact CZ-CE2 4.2Å; F155-F217 AromaticContact CZ-CZ 3.89Å; F155-F217 HydrophobicContact CZ-CZ 3.89Å
156A88.3Confident77.4Confident0 Ų057.9 Ų57.90%027%0.27CS..EExtended strand (participates in β ladder)trans-151.1152.8178.900000112L82 I85 F173 I174L82-A156 HydrophobicContact CB-CB 4.13Å; L82-A156 HydrophobicContact CD2-CB 4.29Å; I85-A156 HydrophobicContact CB-CB 4.16Å; I85-A156 HydrophobicContact CG1-CB 3.73Å; I85-A156 HydrophobicContact CG2-CB 4.23Å; A156-F173 CarbonylContact O-C 3.5Å; A156-F173 VanDerWaalsContact O-CA 3.3Å; A156-F173 WeakPolarHBondContact O-CA 3.32Å; A156-I174 HydrophobicContact CB-CG2 3.86Å; A156-I174 PolarHBondContact N-O 2.88Å; A156-I174 PolarHBondContact O-N 3.05Å
157N86.2Confident75.9Confident31 Ų3159.2 Ų59.217%0.16628%0.277CS..EExtended strand (participates in β ladder)trans-66.4139.8155.5-67.594.5000108L82 K83 N84 E170 F173L82-N157 CarbonylContact C-O 3.5Å; L82-N157 VanDerWaalsContact CA-O 3.28Å; L82-N157 WeakPolarHBondContact CA-O 3.49Å; K83-N157 HydrophobicContact CB-CB 4.26Å; K83-N157 PolarHBondContact N-O 3.42Å; K83-N157 PolarHBondContact O-N 3.48Å; N84-N157 WeakPolarHBondContact CB-OD1 3.38Å; N84-N157 PolarHBondContact ND2-OD1 2.95Å; N157-E170 PolarHBondContact ND2-O 2.91Å; N157-F173 WeakPolarHBondContact ND2-CE1 3.4Å
158W81.2Confident74.4Confident1 Ų156.6 Ų56.60%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-134.1144.6-179.879.5-69.1000112.6I80 T81 L82 L160 T168 N172 F173 I174 T216 E239I80-W158 HydrophobicContact CD1-CE3 3.93Å; I80-W158 HydrophobicContact CG1-CE3 4.35Å; T81-W158 CarbonylContact O-C 3.53Å; T81-W158 WeakPolarHBondContact O-CA 3.45Å; L82-W158 HydrophobicContact CD2-CB 3.58Å; W158-L160 HydrophobicContact CE3-CB 4.09Å; W158-L160 HydrophobicContact CE3-CD1 4.48Å; W158-L160 HydrophobicContact CH2-CB 4.2Å; W158-L160 HydrophobicContact CH2-CD1 3.62Å; W158-L160 HydrophobicContact CH2-CG 4.43Å; W158-L160 HydrophobicContact CZ3-CB 3.56Å; W158-L160 HydrophobicContact CZ3-CD1 3.3Å; W158-L160 HydrophobicContact CZ3-CG 3.74Å; W158-T168 HydrophobicContact CH2-CG2 3.87Å; W158-T168 HydrophobicContact CZ2-CG2 3.99Å; W158-T168 HydrophobicContact CZ3-CG2 4.26Å; W158-N172 VanDerWaalsContact CD1-C 3.45Å; W158-N172 VanDerWaalsContact CD1-O 3.32Å; W158-N172 PolarHBondContact N-O 2.89Å; W158-N172 VanDerWaalsContact N-O 3.12Å; W158-F173 PolarHBondContact NE1-O 3.49Å; W158-I174 HydrophobicContact CB-CB 4.03Å; W158-I174 HydrophobicContact CB-CG2 3.84Å; W158-I174 HydrophobicContact CG-CB 3.88Å; W158-I174 HydrophobicContact CG-CG2 4.26Å; W158-T216 HydrophobicContact CD2-CG2 4.38Å; W158-T216 HydrophobicContact CH2-CG2 4.16Å; W158-T216 HydrophobicContact CZ2-CG2 3.53Å; W158-E239 HydrophobicContact CH2-CB 4.36Å; W158-E239 HydrophobicContact CH2-CG 3.85Å; W158-E239 HydrophobicContact CZ2-CG 4.22Å
159L76.4Confident73.2Confident23 Ų2358.4 Ų58.412%0.1228%0.278CS..EExtended strand (participates in β ladder)trans-132.2126.5176.3-77154000108.2I80 T81I80-L159 WeakPolarHBondContact CA-O 3.34Å; T81-L159 PolarHBondContact N-O 3.34Å; T81-L159 PolarHBondContact O-N 3.45Å
160L74Confident72.3Confident3 Ų360.2 Ų60.22%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-99.9120.5-178.4-155.4167.4000108.7W158 T168 F238 T242W158-L160 HydrophobicContact CE3-CB 4.09Å; W158-L160 HydrophobicContact CE3-CD1 4.48Å; W158-L160 HydrophobicContact CH2-CB 4.2Å; W158-L160 HydrophobicContact CH2-CD1 3.62Å; W158-L160 HydrophobicContact CH2-CG 4.43Å; W158-L160 HydrophobicContact CZ3-CB 3.56Å; W158-L160 HydrophobicContact CZ3-CD1 3.3Å; W158-L160 HydrophobicContact CZ3-CG 3.74Å; L160-T168 HydrophobicContact CB-CG2 3.58Å; L160-T168 PolarHBondContact N-OG1 2.82Å; L160-F238 HydrophobicContact CD2-CE1 3.86Å; L160-T242 HydrophobicContact CD1-CG2 3.56Å; L160-T242 HydrophobicContact CD2-CG2 3.93Å; L160-T242 HydrophobicContact CG-CG2 3.95Å
161F70.6Confident71.4Confident49 Ų4957.5 Ų57.522%0.21527%0.273CS..  trans52.2104.5-171.4-88-76.6000112.8W78 M79 K163 W164W78-F161 AromaticContact CE3-CE1 3.88Å; W78-F161 HydrophobicContact CE3-CE1 3.88Å; W78-F161 HydrophobicContact CE3-CZ 4.07Å; W78-F161 AromaticContact CZ3-CE1 3.99Å; W78-F161 HydrophobicContact CZ3-CE1 3.99Å; W78-F161 AromaticContact CZ3-CZ 3.75Å; W78-F161 HydrophobicContact CZ3-CZ 3.75Å; W78-F161 WeakPolarHBondContact O-CD1 3.33Å; M79-F161 HydrophobicContact CE-CE2 3.95Å; M79-F161 HydrophobicContact CE-CZ 3.76Å; M79-F161 HydrophobicContact CG-CE1 4.16Å; M79-F161 HydrophobicContact CG-CE2 3.96Å; M79-F161 HydrophobicContact CG-CZ 3.66Å; M79-F161 WeakPolarHBondContact O-CA 3.18Å; M79-F161 PolarHBondContact O-N 3.46Å; M79-F161 HydrophobicContact SD-CD2 4.33Å; M79-F161 HydrophobicContact SD-CE2 3.4Å; M79-F161 WeakPolarHBondContact SD-CE2 3.37Å; M79-F161 HydrophobicContact SD-CZ 3.58Å; M79-F161 VanDerWaalsContact SD-CZ 3.58Å; F161-K163 PolarHBondContact O-N 3.39Å; F161-W164 HydrophobicContact CB-CB 3.94Å; F161-W164 HydrophobicContact CB-CG 4.23Å; F161-W164 CarbonylContact O-C 3.57Å; F161-W164 WeakPolarHBondContact O-CA 3.38Å; F161-W164 PolarHBondContact O-N 3.37Å
162P55.5Low70.8Confident59 Ų5954.6 Ų54.638%0.38326%0.258SS..THydrogen-bonded Turntrans-60.6-14.6-179.920.1-30.4000114.5N165P162-N165 PolarHBondContact O-OD1 2.87Å; P162-N165 VanDerWaalsContact O-OD1 3.06Å
163K54.7Low70.6Confident192 Ų19256 Ų5684%0.83526%0.264SS*.THydrogen-bonded Turntrans-84.2-16172.2-75-175.5177.6-179.90114.1F161F161-K163 PolarHBondContact O-N 3.39Å
164W57.2Low70.3Confident120 Ų12052.4 Ų52.446%0.45525%0.247SC..  trans-11835.9-174.4-6753.5000111F161 Y166 L167F161-W164 HydrophobicContact CB-CB 3.94Å; F161-W164 HydrophobicContact CB-CG 4.23Å; F161-W164 CarbonylContact O-C 3.57Å; F161-W164 WeakPolarHBondContact O-CA 3.38Å; F161-W164 PolarHBondContact O-N 3.37Å; W164-Y166 HydrophobicContact CB-CD1 4.47Å; W164-Y166 HydrophobicContact CB-CE1 3.93Å; W164-Y166 HydrophobicContact CD2-CE1 4.26Å; W164-Y166 AromaticContact CD2-CZ 3.94Å; W164-Y166 HydrophobicContact CE3-CE1 4.29Å; W164-Y166 HydrophobicContact CE3-CE2 4.15Å; W164-Y166 AromaticContact CE3-CZ 3.53Å; W164-Y166 HydrophobicContact CG-CE1 4.14Å; W164-Y166 WeakPolarHBondContact CZ3-OH 3.38Å; W164-Y166 PolarHBondContact O-N 3.3Å; W164-L167 HydrophobicContact CB-CD1 4.44Å; W164-L167 HydrophobicContact CE3-CD1 3.6Å; W164-L167 HydrophobicContact CE3-CG 4.43Å; W164-L167 HydrophobicContact CZ3-CD1 4.3Å; W164-L167 PolarHBondContact O-N 2.82Å
165N54Low70.3Confident101 Ų10153.9 Ų53.954%0.5425%0.254SS..THydrogen-bonded Turntrans-49.1-6.1178.8-74.6-6.1000116.1P162P162-N165 PolarHBondContact O-OD1 2.87Å; P162-N165 VanDerWaalsContact O-OD1 3.06Å
166Y54.4Low70.2Confident157 Ų15751.6 Ų51.662%0.61624%0.244SC*.THydrogen-bonded Turntrans-83.5-15.217458.4-91.4000113.7W164W164-Y166 HydrophobicContact CB-CD1 4.47Å; W164-Y166 HydrophobicContact CB-CE1 3.93Å; W164-Y166 HydrophobicContact CD2-CE1 4.26Å; W164-Y166 AromaticContact CD2-CZ 3.94Å; W164-Y166 HydrophobicContact CE3-CE1 4.29Å; W164-Y166 HydrophobicContact CE3-CE2 4.15Å; W164-Y166 AromaticContact CE3-CZ 3.53Å; W164-Y166 HydrophobicContact CG-CE1 4.14Å; W164-Y166 WeakPolarHBondContact CZ3-OH 3.38Å; W164-Y166 PolarHBondContact O-N 3.3Å
167L54.8Low70.2Confident32 Ų3252 Ų5217%0.16825%0.247CC..SBendtrans-92.1-24.4-177.9-67.4-177000113.7W164 V235 F238W164-L167 HydrophobicContact CB-CD1 4.44Å; W164-L167 HydrophobicContact CE3-CD1 3.6Å; W164-L167 HydrophobicContact CE3-CG 4.43Å; W164-L167 HydrophobicContact CZ3-CD1 4.3Å; W164-L167 PolarHBondContact O-N 2.82Å; L167-V235 HydrophobicContact CD2-CG2 4.19Å; L167-F238 HydrophobicContact CD1-CD1 4.01Å; L167-F238 HydrophobicContact CD1-CE1 3.96Å
168T55.5Low70.4Confident4 Ų450.8 Ų50.83%0.02524%0.24CC..SBendtrans-129.9131.8178.548.40000109.7W158 L160W158-T168 HydrophobicContact CH2-CG2 3.87Å; W158-T168 HydrophobicContact CZ2-CG2 3.99Å; W158-T168 HydrophobicContact CZ3-CG2 4.26Å; L160-T168 HydrophobicContact CB-CG2 3.58Å; L160-T168 PolarHBondContact N-OG1 2.82Å
169S59.4Low70.8Confident44 Ų4452.6 Ų52.631%0.30825%0.249SC..  trans-90.2151.2-179.3870000110.4N171 N172S169-N171 PolarHBondContact O-N 2.79Å; S169-N171 PolarHBondContact OG-N 2.86Å; S169-N172 PolarHBondContact N-ND2 2.86Å; S169-N172 VanDerWaalsContact O-CB 3.27Å; S169-N172 WeakPolarHBondContact O-CB 3.5Å; S169-N172 PolarHBondContact O-N 3.38Å; S169-N172 PolarHBondContact OG-OD1 3.39Å
170E62Low71.3Confident141 Ų14152.7 Ų52.766%0.65926%0.256SS*.THydrogen-bonded Turntrans-57.6-20.3176.5-69.8-171.7146.800113.3N157 N172N157-E170 PolarHBondContact ND2-O 2.91Å; E170-N172 VanDerWaalsContact C-N 3.3Å
171N66.5Low72Confident50 Ų5052.6 Ų52.627%0.26726%0.256SS..THydrogen-bonded Turntrans-89.97.4178.4-56.2-34.1000113.3S169 D219 Y222S169-N171 PolarHBondContact O-N 2.79Å; S169-N171 PolarHBondContact OG-N 2.86Å; N171-D219 PolarHBondContact O-N 3Å; N171-Y222 HydrophobicContact CB-CD2 4.28Å; N171-Y222 HydrophobicContact CB-CG 4.21Å; N171-Y222 WeakPolarHBondContact ND2-CB 3.33Å; N171-Y222 WeakPolarHBondContact ND2-CD1 3.37Å
172N77.3Confident72.9Confident4 Ų453 Ų532%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-82.4133.1171.4-65.26000108.7W158 S169 E170 Q218W158-N172 VanDerWaalsContact CD1-C 3.45Å; W158-N172 VanDerWaalsContact CD1-O 3.32Å; W158-N172 PolarHBondContact N-O 2.89Å; W158-N172 VanDerWaalsContact N-O 3.12Å; S169-N172 PolarHBondContact N-ND2 2.86Å; S169-N172 VanDerWaalsContact O-CB 3.27Å; S169-N172 WeakPolarHBondContact O-CB 3.5Å; S169-N172 PolarHBondContact O-N 3.38Å; S169-N172 PolarHBondContact OG-OD1 3.39Å; E170-N172 VanDerWaalsContact C-N 3.3Å; N172-Q218 WeakPolarHBondContact OD1-CG 3.49Å; N172-Q218 PolarHBondContact OD1-NE2 2.79Å
173F84.4Confident74.5Confident29 Ų2950.4 Ų50.413%0.12724%0.238CC..EExtended strand (participates in β ladder)trans-114.5150.8176.3-63.9-75.8000111.4F155 A156 N157 W158 T216 F217 D219F155-F173 HydrophobicContact CD1-CD1 4.41Å; F155-F173 HydrophobicContact CD2-CB 4.46Å; F155-F173 AromaticContact CE1-CD1 3.41Å; F155-F173 HydrophobicContact CE1-CD1 3.41Å; F155-F173 VanDerWaalsContact CE1-CD1 3.41Å; F155-F173 AromaticContact CE1-CE1 3.64Å; F155-F173 HydrophobicContact CE1-CE1 3.64Å; F155-F173 HydrophobicContact CE1-CG 4.03Å; F155-F173 HydrophobicContact CE1-CZ 4.42Å; F155-F173 HydrophobicContact CE2-CB 3.43Å; F155-F173 VanDerWaalsContact CE2-CB 3.43Å; F155-F173 AromaticContact CE2-CD1 3.91Å; F155-F173 HydrophobicContact CE2-CD1 3.91Å; F155-F173 AromaticContact CE2-CG 3.77Å; F155-F173 HydrophobicContact CE2-CG 3.77Å; F155-F173 HydrophobicContact CZ-CB 3.5Å; F155-F173 VanDerWaalsContact CZ-CB 3.5Å; F155-F173 AromaticContact CZ-CD1 3.12Å; F155-F173 HydrophobicContact CZ-CD1 3.12Å; F155-F173 AromaticContact CZ-CD2 3.89Å; F155-F173 HydrophobicContact CZ-CD2 3.89Å; F155-F173 AromaticContact CZ-CE1 3.68Å; F155-F173 HydrophobicContact CZ-CE1 3.68Å; F155-F173 HydrophobicContact CZ-CE2 4.33Å; F155-F173 AromaticContact CZ-CG 3.24Å; F155-F173 HydrophobicContact CZ-CG 3.24Å; F155-F173 HydrophobicContact CZ-CZ 4.26Å; A156-F173 CarbonylContact O-C 3.5Å; A156-F173 VanDerWaalsContact O-CA 3.3Å; A156-F173 WeakPolarHBondContact O-CA 3.32Å; N157-F173 WeakPolarHBondContact ND2-CE1 3.4Å; W158-F173 PolarHBondContact NE1-O 3.49Å; F173-T216 VanDerWaalsContact O-CA 3.26Å; F173-T216 WeakPolarHBondContact O-CA 3.17Å; F173-F217 HydrophobicContact CB-CD2 4.22Å; F173-F217 HydrophobicContact CB-CE1 4.41Å; F173-F217 HydrophobicContact CB-CE2 4.03Å; F173-F217 HydrophobicContact CB-CZ 4.2Å; F173-F217 HydrophobicContact CD2-CD2 4.34Å; F173-F217 HydrophobicContact CD2-CE2 4.11Å; F173-F217 HydrophobicContact CG-CE2 4.39Å; F173-F217 PolarHBondContact N-O 3.25Å; F173-F217 PolarHBondContact O-N 2.96Å; F173-D219 HydrophobicContact CD2-CB 4.46Å; F173-D219 HydrophobicContact CE2-CB 3.79Å
174I84.3Confident76.1Confident1 Ų144 Ų441%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-120.6131.4172.6-161.6168000108.4I80 L82 F155 A156 W158 V176 L214 H215 T216 L243I80-I174 HydrophobicContact CD1-CD1 4.37Å; L82-I174 HydrophobicContact CD2-CG2 3.73Å; F155-I174 WeakPolarHBondContact CA-O 3.25Å; A156-I174 HydrophobicContact CB-CG2 3.86Å; A156-I174 PolarHBondContact N-O 2.88Å; A156-I174 PolarHBondContact O-N 3.05Å; W158-I174 HydrophobicContact CB-CB 4.03Å; W158-I174 HydrophobicContact CB-CG2 3.84Å; W158-I174 HydrophobicContact CG-CB 3.88Å; W158-I174 HydrophobicContact CG-CG2 4.26Å; I174-V176 HydrophobicContact CG1-CG2 4.16Å; I174-L214 HydrophobicContact CD1-CD2 3.25Å; I174-L214 HydrophobicContact CG1-CD2 3.47Å; I174-L214 VanDerWaalsContact CG1-CD2 3.47Å; I174-H215 WeakPolarHBondContact CA-O 3.34Å; I174-T216 HydrophobicContact CB-CG2 4.42Å; I174-T216 HydrophobicContact CD1-CG2 4.39Å; I174-T216 HydrophobicContact CG1-CG2 4.03Å; I174-L243 HydrophobicContact CD1-CD2 4.03Å
175H88.8Confident77.5Confident41 Ų4138.4 Ų38.419%0.1919%0.192CC..EExtended strand (participates in β ladder)trans-114.5123.5170.9-179.6-146.6000108.2E153 M154 F155 L214 H215 F217E153-H175 IonicContact OE2-CE1 3.49Å; E153-H175 PolarHBondContact OE2-CE1 3.44Å; E153-H175 IonicContact OE2-NE2 2.98Å; E153-H175 PolarHBondContact OE2-NE2 2.92Å; M154-H175 CarbonylContact O-C 3.53Å; M154-H175 WeakPolarHBondContact O-CA 3.2Å; M154-H175 PolarHBondContact O-CD2 2.83Å; F155-H175 HydrophobicContact CD2-CB 4.41Å; H175-L214 WeakPolarHBondContact O-CA 3.21Å; H175-H215 PolarHBondContact N-O 2.81Å; H175-H215 PolarHBondContact O-N 2.78Å; H175-F217 HydrophobicContact CB-CE1 4.11Å
176V88Confident79.1Confident1 Ų133.8 Ų33.81%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-118.6123.7-179.8-173.70000108.4E153 M154 I174 L178 I212 Q213 L214 L256E153-V176 CarbonylContact C-O 3.56Å; E153-V176 WeakPolarHBondContact CA-O 3.27Å; M154-V176 HydrophobicContact CB-CB 4.27Å; M154-V176 HydrophobicContact CE-CB 3.91Å; M154-V176 HydrophobicContact CE-CG2 3.4Å; M154-V176 PolarHBondContact N-O 3.1Å; M154-V176 PolarHBondContact O-N 2.87Å; I174-V176 HydrophobicContact CG1-CG2 4.16Å; V176-L178 HydrophobicContact CG1-CD2 4.29Å; V176-L178 HydrophobicContact CG1-CG 4.42Å; V176-I212 HydrophobicContact CG1-CD1 3.85Å; V176-I212 HydrophobicContact CG1-CG1 3.88Å; V176-Q213 CarbonylContact C-O 3.57Å; V176-Q213 WeakPolarHBondContact CA-O 3.25Å; V176-L214 HydrophobicContact CB-CG 4.4Å; V176-L214 HydrophobicContact CG1-CD1 4.37Å; V176-L214 HydrophobicContact CG1-CG 4.18Å; V176-L214 HydrophobicContact CG2-CD1 4.48Å; V176-L214 HydrophobicContact CG2-CD2 3.53Å; V176-L214 HydrophobicContact CG2-CG 3.79Å; V176-L256 HydrophobicContact CG1-CD1 4.13Å
177T90Very high80.7Confident9 Ų926.4 Ų26.46%0.05514%0.139CC..EExtended strand (participates in β ladder)trans-112.2118.4177.1-55.10000108.5N151 E153 I179 I212 Q213N151-T177 HydrophobicContact CB-CG2 3.71Å; E153-T177 HydrophobicContact CG-CG2 4.23Å; T177-I179 HydrophobicContact CG2-CD1 4.44Å; T177-I179 HydrophobicContact CG2-CG1 4.05Å; T177-I212 WeakPolarHBondContact O-CA 3.43Å; T177-Q213 PolarHBondContact N-O 2.7Å; T177-Q213 PolarHBondContact O-N 2.67Å
178L89Confident82.1Confident5 Ų528.4 Ų28.43%0.02614%0.144CC..EExtended strand (participates in β ladder)trans-102.5122.5176.7-59.4170000109.1N151 V152 V176 L181 L209 I212 F257 L260N151-L178 VanDerWaalsContact CA-O 3.3Å; N151-L178 WeakPolarHBondContact CA-O 3.44Å; V152-L178 HydrophobicContact CB-CB 4.21Å; V152-L178 HydrophobicContact CB-CD1 4.48Å; V152-L178 HydrophobicContact CG1-CD1 4.36Å; V152-L178 PolarHBondContact N-O 2.86Å; V152-L178 PolarHBondContact O-N 3.29Å; V176-L178 HydrophobicContact CG1-CD2 4.29Å; V176-L178 HydrophobicContact CG1-CG 4.42Å; L178-L181 HydrophobicContact CB-CD1 3.82Å; L178-L181 HydrophobicContact CB-CG 4.21Å; L178-L181 HydrophobicContact CD1-CD1 4.09Å; L178-L209 HydrophobicContact CB-CD1 3.93Å; L178-L209 HydrophobicContact CD2-CD1 3.96Å; L178-L209 HydrophobicContact CD2-CD2 4.41Å; L178-I212 HydrophobicContact CD2-CB 4Å; L178-I212 HydrophobicContact CD2-CD1 3.54Å; L178-I212 HydrophobicContact CD2-CG1 3.66Å; L178-F257 HydrophobicContact CD2-CE1 4.41Å; L178-L260 HydrophobicContact CD1-CD1 3.19Å
179I89.5Confident83.3Confident39 Ų3928.3 Ų28.320%0.214%0.144CC..EExtended strand (participates in β ladder)trans-112.3132-170.9-53.6-176.9000109.3T177 S210 D211 Q213T177-I179 HydrophobicContact CG2-CD1 4.44Å; T177-I179 HydrophobicContact CG2-CG1 4.05Å; I179-S210 WeakPolarHBondContact O-CB 3.34Å; I179-S210 PolarHBondContact O-N 3.3Å; I179-D211 HydrophobicContact CB-CB 4.12Å; I179-D211 HydrophobicContact CD1-CB 4.24Å; I179-D211 HydrophobicContact CG1-CB 4.47Å; I179-D211 PolarHBondContact N-O 3.3Å; I179-D211 PolarHBondContact O-N 3.21Å; I179-Q213 HydrophobicContact CD1-CG 4.2Å
180G87.9Confident84.3Confident25 Ų2526.9 Ų26.926%0.25813%0.132SC..SBendtrans66.449.4172.700000113.8
181L88.8Confident84.9Confident2 Ų220.4 Ų20.41%0.0110%0.102CC..  trans-75.7129.8177.3-79.1169.6000111.5E147 L148 V152 L178 F183 I206 Q208 L209E147-L181 VanDerWaalsContact CA-O 3.32Å; E147-L181 WeakPolarHBondContact CA-O 3.32Å; L148-L181 HydrophobicContact CB-CB 4.39Å; L148-L181 HydrophobicContact CD1-CB 4.19Å; L148-L181 HydrophobicContact CD1-CD1 4.08Å; L148-L181 PolarHBondContact N-O 3Å; V152-L181 HydrophobicContact CB-CD1 3.97Å; V152-L181 HydrophobicContact CG2-CD1 3.69Å; L178-L181 HydrophobicContact CB-CD1 3.82Å; L178-L181 HydrophobicContact CB-CG 4.21Å; L178-L181 HydrophobicContact CD1-CD1 4.09Å; L181-F183 HydrophobicContact CB-CE2 3.97Å; L181-F183 HydrophobicContact CB-CZ 4.34Å; L181-F183 HydrophobicContact CD1-CZ 4.36Å; L181-I206 HydrophobicContact CD2-CD1 4.21Å; L181-I206 HydrophobicContact CD2-CG1 4.41Å; L181-I206 HydrophobicContact CD2-CG2 3.74Å; L181-Q208 WeakPolarHBondContact CA-O 3.49Å; L181-L209 HydrophobicContact CD2-CB 4.33Å; L181-L209 HydrophobicContact CD2-CD1 3.62Å; L181-L209 HydrophobicContact CG-CD1 3.99Å
182R89.1Confident85Confident58 Ų5818.9 Ų18.922%0.2199%0.094CC..EExtended strand (participates in β ladder)trans-122.2135.4169-173.1173.3-77.3-179.7-11.8110.3I96 I146 E147 I206 T207 Q208I96-R182 HydrophobicContact CD1-CG 3.79Å; I146-R182 CarbonylContact O-C 3.57Å; I146-R182 WeakPolarHBondContact O-CA 3.26Å; E147-R182 IonicContact OE2-NH2 3.61Å; R182-I206 CarbonylContact O-C 3.19Å; R182-I206 WeakPolarHBondContact O-CA 3.32Å; R182-T207 PolarHBondContact O-N 3.26Å; R182-T207 PolarHBondContact O-OG1 3.3Å; R182-Q208 HydrophobicContact CB-CB 3.61Å; R182-Q208 PolarHBondContact N-O 3.26Å; R182-Q208 PolarHBondContact O-N 2.86Å
183F88.2Confident84.5Confident3 Ų323.8 Ų23.81%0.01312%0.117CC..EExtended strand (participates in β ladder)trans-114.4135.5176.3-55.5-96.2000109.5S145 I146 L148 L181 L204 K205 I206S145-F183 CarbonylContact C-O 3.53Å; S145-F183 VanDerWaalsContact CA-O 3.28Å; S145-F183 WeakPolarHBondContact CA-O 3.27Å; I146-F183 HydrophobicContact CB-CB 4.42Å; I146-F183 PolarHBondContact N-O 3.13Å; I146-F183 PolarHBondContact O-N 2.97Å; L148-F183 HydrophobicContact CD1-CE2 3.58Å; L148-F183 HydrophobicContact CD1-CZ 4.04Å; L148-F183 HydrophobicContact CG-CE2 4.05Å; L181-F183 HydrophobicContact CB-CE2 3.97Å; L181-F183 HydrophobicContact CB-CZ 4.34Å; L181-F183 HydrophobicContact CD1-CZ 4.36Å; F183-L204 HydrophobicContact CB-CG 4.38Å; F183-L204 HydrophobicContact CD1-CD2 3.51Å; F183-L204 HydrophobicContact CD1-CG 4.19Å; F183-L204 HydrophobicContact CE1-CD2 4.11Å; F183-L204 HydrophobicContact CG-CD2 4.41Å; F183-K205 CarbonylContact C-O 3.59Å; F183-K205 VanDerWaalsContact CA-O 3.28Å; F183-K205 WeakPolarHBondContact CA-O 3.44Å; F183-I206 HydrophobicContact CD1-CG1 3.51Å; F183-I206 HydrophobicContact CE1-CD1 3.82Å; F183-I206 HydrophobicContact CE1-CG1 3.24Å; F183-I206 HydrophobicContact CZ-CD1 4.4Å; F183-I206 HydrophobicContact CZ-CG1 4.02Å
184N88.7Confident83.6Confident59 Ų5925 Ų2532%0.31613%0.125SC..EExtended strand (participates in β ladder)trans-96.3127.9161.5-77.36.4000109.1S145 L204 K205 T207S145-N184 PolarHBondContact OG-OD1 2.79Å; N184-L204 WeakPolarHBondContact O-CA 3.34Å; N184-K205 PolarHBondContact N-O 3.1Å; N184-K205 PolarHBondContact O-N 3.07Å; N184-T207 HydrophobicContact CB-CG2 3.73Å; N184-T207 VanDerWaalsContact CG-CG2 3.5Å; N184-T207 PolarHBondContact OD1-OG1 2.98Å
185V87Confident82.5Confident1 Ų125.3 Ų25.31%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-114.5135.6-177.9177.60000109.4K143 F144 I146 L187 F201 L204K143-V185 CarbonylContact C-O 3.59Å; K143-V185 VanDerWaalsContact CA-O 3.29Å; K143-V185 WeakPolarHBondContact CA-O 3.49Å; F144-V185 HydrophobicContact CD1-CB 4.16Å; F144-V185 HydrophobicContact CD1-CG1 4.2Å; F144-V185 HydrophobicContact CD2-CB 4.39Å; F144-V185 HydrophobicContact CE1-CB 3.76Å; F144-V185 HydrophobicContact CE1-CG1 3.39Å; F144-V185 HydrophobicContact CE2-CB 4.07Å; F144-V185 HydrophobicContact CE2-CG1 4.27Å; F144-V185 HydrophobicContact CE2-CG2 4.36Å; F144-V185 HydrophobicContact CG-CB 4.45Å; F144-V185 HydrophobicContact CZ-CB 3.73Å; F144-V185 HydrophobicContact CZ-CG1 3.45Å; F144-V185 VanDerWaalsContact CZ-CG1 3.45Å; F144-V185 HydrophobicContact CZ-CG2 4.31Å; F144-V185 PolarHBondContact N-O 2.8Å; F144-V185 PolarHBondContact O-N 2.81Å; I146-V185 HydrophobicContact CD1-CB 4.5Å; I146-V185 HydrophobicContact CD1-CG2 3.49Å; I146-V185 VanDerWaalsContact CD1-CG2 3.49Å; I146-V185 HydrophobicContact CG1-CG2 4.04Å; V185-L187 HydrophobicContact CG1-CD2 4.42Å; V185-L187 HydrophobicContact CG1-CG 4.15Å; V185-F201 HydrophobicContact CG1-CD1 4Å; V185-F201 HydrophobicContact CG1-CE1 3.31Å; V185-F201 HydrophobicContact CG1-CZ 4.14Å; V185-L204 HydrophobicContact CG2-CB 4.5Å; V185-L204 HydrophobicContact CG2-CD1 3.83Å; V185-L204 HydrophobicContact CG2-CG 4.08Å
186S88.7Confident81.4Confident5 Ų524.4 Ų24.44%0.03513%0.127CC..EExtended strand (participates in β ladder)trans-122.2131.8168.7-172.80000109.5I142 D202 H203I142-S186 CarbonylContact O-C 3.55Å; I142-S186 WeakPolarHBondContact O-CA 3.24Å; S186-D202 PolarHBondContact O-N 2.71Å; S186-H203 WeakPolarHBondContact CB-CE1 3.17Å; S186-H203 WeakPolarHBondContact CB-ND1 3.36Å; S186-H203 PolarHBondContact N-ND1 3.25Å; S186-H203 PolarHBondContact N-O 2.87Å; S186-H203 PolarHBondContact O-N 2.84Å
187L86.4Confident80.5Confident1 Ų125.5 Ų25.51%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-124.4151.5177.5-62.4169.9000109.6I53 K141 I142 F144 V185 L199 K200 F201I53-L187 HydrophobicContact CD1-CD1 3.48Å; I53-L187 VanDerWaalsContact CD1-CD1 3.48Å; K141-L187 WeakPolarHBondContact CA-O 3.26Å; I142-L187 HydrophobicContact CB-CB 4.26Å; I142-L187 PolarHBondContact N-O 2.84Å; I142-L187 PolarHBondContact O-N 2.88Å; F144-L187 HydrophobicContact CD1-CD1 4.43Å; F144-L187 HydrophobicContact CE1-CD1 3.42Å; F144-L187 VanDerWaalsContact CE1-CD1 3.42Å; F144-L187 HydrophobicContact CE1-CG 3.89Å; F144-L187 HydrophobicContact CZ-CD1 4.04Å; V185-L187 HydrophobicContact CG1-CD2 4.42Å; V185-L187 HydrophobicContact CG1-CG 4.15Å; L187-L199 HydrophobicContact CD1-CD2 4.35Å; L187-L199 HydrophobicContact CD2-CD2 4.33Å; L187-K200 CarbonylContact C-O 3.53Å; L187-K200 WeakPolarHBondContact CA-O 3.35Å; L187-F201 HydrophobicContact CD2-CB 4.48Å; L187-F201 HydrophobicContact CD2-CD1 3.62Å; L187-F201 HydrophobicContact CD2-CD2 3.53Å; L187-F201 HydrophobicContact CD2-CE1 3.54Å; L187-F201 HydrophobicContact CD2-CE2 3.38Å; L187-F201 HydrophobicContact CD2-CG 3.62Å; L187-F201 HydrophobicContact CD2-CZ 3.38Å; L187-F201 HydrophobicContact CG-CE1 4.44Å; L187-F201 HydrophobicContact CG-CZ 4.44Å
188R85.6Confident79.8Confident75 Ų7526 Ų2628%0.28314%0.141SC..EExtended strand (participates in β ladder)trans-112.7128.7160.9-69.8-177-149.4160.525.9110.1I139 Y140 K141 F190 L199 K200 D202I139-R188 HydrophobicContact CG2-CB 4.16Å; I139-R188 HydrophobicContact CG2-CG 4.03Å; Y140-R188 CarbonylContact O-C 3.59Å; Y140-R188 WeakPolarHBondContact O-CA 3.39Å; K141-R188 HydrophobicContact CG-CG 4.34Å; R188-F190 HydrophobicContact CB-CE1 3.88Å; R188-F190 HydrophobicContact CB-CE2 3.74Å; R188-F190 HydrophobicContact CB-CZ 3.36Å; R188-F190 HydrophobicContact CG-CZ 4.23Å; R188-L199 CarbonylContact O-C 3.57Å; R188-L199 VanDerWaalsContact O-CA 3.23Å; R188-L199 WeakPolarHBondContact O-CA 3.48Å; R188-K200 PolarHBondContact N-O 2.84Å; R188-K200 PolarHBondContact O-N 3.04Å; R188-D202 WeakPolarHBondContact CD-OD1 3.29Å; R188-D202 VanDerWaalsContact CG-OD2 3.28Å; R188-D202 WeakPolarHBondContact CG-OD2 3.46Å; R188-D202 IonicContact CZ-OD1 3.82Å; R188-D202 IonicContact CZ-OD2 2.78Å; R188-D202 IonicContact NE-OD1 3.63Å; R188-D202 PolarHBondContact NE-OD1 3.35Å; R188-D202 IonicContact NE-OD2 2.67Å; R188-D202 PolarHBondContact NE-OD2 2.77Å; R188-D202 VanDerWaalsContact NH2-CG 3.34Å; R188-D202 IonicContact NH2-OD1 3.77Å; R188-D202 PolarHBondContact NH2-OD1 2.94Å; R188-D202 IonicContact NH2-OD2 2.7Å; R188-D202 PolarHBondContact NH2-OD2 3.14Å
189L80.7Confident79.2Confident1 Ų126.6 Ų26.61%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-102.3118.8164.4175.875.4000108.2L10 V49 L52 I139 Y140 I142 I191 V197 G198 L199L10-L189 HydrophobicContact CD1-CD2 4.49Å; V49-L189 HydrophobicContact CG1-CD2 4.13Å; V49-L189 HydrophobicContact CG2-CD2 3.99Å; L52-L189 HydrophobicContact CD2-CD1 3.95Å; L52-L189 HydrophobicContact CD2-CD2 4.33Å; I139-L189 CarbonylContact C-O 3.52Å; I139-L189 WeakPolarHBondContact CA-O 3.02Å; Y140-L189 HydrophobicContact CD2-CD2 4.07Å; Y140-L189 HydrophobicContact CD2-CG 4.47Å; Y140-L189 PolarHBondContact N-O 3.48Å; Y140-L189 PolarHBondContact O-N 2.87Å; I142-L189 HydrophobicContact CD1-CB 4.04Å; L189-I191 HydrophobicContact CD2-CD1 4.24Å; L189-I191 HydrophobicContact CD2-CG1 4.4Å; L189-I191 HydrophobicContact CG-CG1 4.24Å; L189-V197 HydrophobicContact CD1-CG1 3.44Å; L189-V197 VanDerWaalsContact CD1-CG1 3.44Å; L189-V197 HydrophobicContact CG-CG1 4.48Å; L189-G198 CarbonylContact C-O 3.57Å; L189-G198 WeakPolarHBondContact CA-O 3.45Å; L189-L199 HydrophobicContact CB-CD1 3.63Å; L189-L199 HydrophobicContact CD1-CD1 3.57Å; L189-L199 HydrophobicContact CG-CD1 4.21Å
190F79.3Confident78.8Confident15 Ų1528.9 Ų28.97%0.06615%0.152CC..EExtended strand (participates in β ladder)trans-100.7128.7175.2-42.4-93.1000108.4D138 I139 R188 V197 G198 K200D138-F190 CarbonylContact O-C 3.57Å; D138-F190 VanDerWaalsContact O-CA 3.31Å; D138-F190 WeakPolarHBondContact O-CA 3.36Å; I139-F190 HydrophobicContact CD1-CD1 3.77Å; I139-F190 HydrophobicContact CD1-CE1 3.83Å; I139-F190 HydrophobicContact CG1-CD1 3.76Å; I139-F190 HydrophobicContact CG1-CE1 4.25Å; I139-F190 HydrophobicContact CG2-CD1 4.38Å; I139-F190 HydrophobicContact CG2-CE1 4.33Å; R188-F190 HydrophobicContact CB-CE1 3.88Å; R188-F190 HydrophobicContact CB-CE2 3.74Å; R188-F190 HydrophobicContact CB-CZ 3.36Å; R188-F190 HydrophobicContact CG-CZ 4.23Å; F190-V197 CarbonylContact O-C 3.52Å; F190-V197 VanDerWaalsContact O-CA 3.3Å; F190-V197 WeakPolarHBondContact O-CA 3.32Å; F190-G198 WeakPolarHBondContact CD2-O 3.34Å; F190-G198 PolarHBondContact N-O 2.86Å; F190-G198 PolarHBondContact O-N 2.9Å; F190-K200 HydrophobicContact CE2-CB 3.6Å; F190-K200 HydrophobicContact CE2-CD 4.5Å; F190-K200 HydrophobicContact CZ-CB 4.07Å; F190-K200 HydrophobicContact CZ-CD 4.36Å
191I74.9Confident78.5Confident4 Ų428.8 Ų28.82%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-118.8104.2171.2-51.7-176.4000106.9L10 C137 D138 Y140 L189 V197L10-I191 HydrophobicContact CD1-CD1 3.54Å; L10-I191 HydrophobicContact CG-CD1 4.26Å; C137-I191 CarbonylContact C-O 3.55Å; C137-I191 VanDerWaalsContact CA-O 3.24Å; C137-I191 WeakPolarHBondContact CA-O 3.21Å; C137-I191 WeakPolarHBondContact CB-O 3.35Å; D138-I191 PolarHBondContact N-O 2.94Å; D138-I191 PolarHBondContact O-N 2.8Å; Y140-I191 HydrophobicContact CD2-CD1 4.3Å; Y140-I191 HydrophobicContact CE2-CD1 3.77Å; Y140-I191 HydrophobicContact CE2-CG1 4.31Å; L189-I191 HydrophobicContact CD2-CD1 4.24Å; L189-I191 HydrophobicContact CD2-CG1 4.4Å; L189-I191 HydrophobicContact CG-CG1 4.24Å; I191-V197 HydrophobicContact CG2-CG2 4.43Å
192N68.5Low78.2Confident19 Ų1931.3 Ų31.310%0.10216%0.159CC..EExtended strand (participates in β ladder)trans-74.6155.4177-69.8-36000110.5C137 N194 G195 A196 G286 C287C137-N192 WeakPolarHBondContact CB-OD1 3.36Å; N192-N194 WeakPolarHBondContact CB-OD1 3.14Å; N192-N194 PolarHBondContact O-N 2.91Å; N192-G195 PolarHBondContact O-N 2.79Å; N192-A196 HydrophobicContact CB-CB 4.17Å; N192-A196 WeakPolarHBondContact CB-O 3.31Å; N192-A196 PolarHBondContact N-O 3.44Å; N192-G286 VanDerWaalsContact CG-CA 3.48Å; N192-G286 VanDerWaalsContact ND2-CA 3.33Å; N192-G286 WeakPolarHBondContact ND2-CA 3.44Å; N192-C287 PolarHBondContact OD1-N 2.91Å
193Q66.9Low78.1Confident107 Ų10733 Ų3350%0.517%0.168SC..THydrogen-bonded Turntrans-62.7-26.9178.7-72.6-146.6-20.600114.7K135 L136 G195K135-Q193 VanDerWaalsContact CB-NE2 3.31Å; K135-Q193 WeakPolarHBondContact O-CG 3.29Å; K135-Q193 PolarHBondContact O-NE2 2.96Å; K135-Q193 PolarHBondContact O-OE1 3.32Å; L136-Q193 PolarHBondContact O-N 3.21Å; Q193-G195 PolarHBondContact O-N 2.81Å
194N65.5Low78.1Confident55 Ų5533.2 Ų33.229%0.29417%0.17SC..THydrogen-bonded Turntrans-75.21.9173.665.1-15.2000113.1N192 A196 G284N192-N194 WeakPolarHBondContact CB-OD1 3.14Å; N192-N194 PolarHBondContact O-N 2.91Å; N194-A196 VanDerWaalsContact C-N 3.32Å; N194-A196 WeakPolarHBondContact OD1-CB 3.01Å; N194-A196 PolarHBondContact OD1-N 2.98Å; N194-A196 VanDerWaalsContact OD1-N 3.13Å; N194-G284 VanDerWaalsContact ND2-C 3.35Å; N194-G284 VanDerWaalsContact ND2-CA 3.27Å; N194-G284 WeakPolarHBondContact ND2-CA 3.46Å; N194-G284 PolarHBondContact ND2-N 3.05Å; N194-G284 PolarHBondContact ND2-O 3.44Å
195G60.8Low78.2Confident6 Ų636.5 Ų36.56%0.06218%0.182CC..SBendtrans84.9-0.4-177.500000114.4N192 Q193 V197N192-G195 PolarHBondContact O-N 2.79Å; Q193-G195 PolarHBondContact O-N 2.81Å; G195-V197 PolarHBondContact O-N 3.32Å
196A66.2Low78.2Confident23 Ų2337 Ų3719%0.1918%0.184CC..  trans-67.4122.6173.800000110N192 N194N192-A196 HydrophobicContact CB-CB 4.17Å; N192-A196 WeakPolarHBondContact CB-O 3.31Å; N192-A196 PolarHBondContact N-O 3.44Å; N194-A196 VanDerWaalsContact C-N 3.32Å; N194-A196 WeakPolarHBondContact OD1-CB 3.01Å; N194-A196 PolarHBondContact OD1-N 2.98Å; N194-A196 VanDerWaalsContact OD1-N 3.13Å
197V69.8Low78.2Confident24 Ų2440 Ų4015%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-104.6125.6178.3-178.50000109.2L189 F190 I191 G195L189-V197 HydrophobicContact CD1-CG1 3.44Å; L189-V197 VanDerWaalsContact CD1-CG1 3.44Å; L189-V197 HydrophobicContact CG-CG1 4.48Å; F190-V197 CarbonylContact O-C 3.52Å; F190-V197 VanDerWaalsContact O-CA 3.3Å; F190-V197 WeakPolarHBondContact O-CA 3.32Å; I191-V197 HydrophobicContact CG2-CG2 4.43Å; G195-V197 PolarHBondContact O-N 3.32Å
198G74.3Confident78.3Confident20 Ų2044 Ų4421%0.20622%0.221CC..EExtended strand (participates in β ladder)trans-115.9149.1172.400000110.2L189 F190L189-G198 CarbonylContact C-O 3.57Å; L189-G198 WeakPolarHBondContact CA-O 3.45Å; F190-G198 WeakPolarHBondContact CD2-O 3.34Å; F190-G198 PolarHBondContact N-O 2.86Å; F190-G198 PolarHBondContact O-N 2.9Å
199L76.9Confident78.4Confident17 Ų1742.4 Ų42.49%0.08922%0.218CC..EExtended strand (participates in β ladder)trans-128.2140.4169.5-160.389.1000108I56 L187 R188 L189 L272 Q276I56-L199 HydrophobicContact CD1-CD2 3.55Å; L187-L199 HydrophobicContact CD1-CD2 4.35Å; L187-L199 HydrophobicContact CD2-CD2 4.33Å; R188-L199 CarbonylContact O-C 3.57Å; R188-L199 VanDerWaalsContact O-CA 3.23Å; R188-L199 WeakPolarHBondContact O-CA 3.48Å; L189-L199 HydrophobicContact CB-CD1 3.63Å; L189-L199 HydrophobicContact CD1-CD1 3.57Å; L189-L199 HydrophobicContact CG-CD1 4.21Å; L199-L272 VanDerWaalsContact C-CD2 3.45Å; L199-L272 HydrophobicContact CB-CD2 3.68Å; L199-L272 HydrophobicContact CB-CG 4.25Å; L199-L272 HydrophobicContact CD2-CD1 3.51Å; L199-L272 HydrophobicContact CD2-CD2 3.87Å; L199-L272 HydrophobicContact CD2-CG 3.82Å; L199-L272 HydrophobicContact CG-CD2 4.05Å; L199-L272 HydrophobicContact CG-CG 4.5Å; L199-L272 WeakPolarHBondContact O-CD2 3.17Å; L199-Q276 PolarHBondContact O-NE2 3.31Å
200K81.6Confident78.8Confident86 Ų8646.1 Ų46.137%0.37424%0.244SC..EExtended strand (participates in β ladder)trans-142.6138.7178.3-170178.4-173177.50109.4L187 R188 F190 V289L187-K200 CarbonylContact C-O 3.53Å; L187-K200 WeakPolarHBondContact CA-O 3.35Å; R188-K200 PolarHBondContact N-O 2.84Å; R188-K200 PolarHBondContact O-N 3.04Å; F190-K200 HydrophobicContact CE2-CB 3.6Å; F190-K200 HydrophobicContact CE2-CD 4.5Å; F190-K200 HydrophobicContact CZ-CB 4.07Å; F190-K200 HydrophobicContact CZ-CD 4.36Å; K200-V289 VanDerWaalsContact NZ-C 3.31Å; K200-V289 PolarHBondContact NZ-O 2.93Å; K200-V289 PolarHBondContact NZ-OXT 3.43Å; K200-V289 VanDerWaalsContact NZ-OXT 3.13Å
201F80.7Confident79.2Confident23 Ų2349.1 Ų49.110%0.10126%0.26CS..EExtended strand (participates in β ladder)trans-73.3126.6167.7-92.3-91000109.6V185 L187 L268 L272V185-F201 HydrophobicContact CG1-CD1 4Å; V185-F201 HydrophobicContact CG1-CE1 3.31Å; V185-F201 HydrophobicContact CG1-CZ 4.14Å; L187-F201 HydrophobicContact CD2-CB 4.48Å; L187-F201 HydrophobicContact CD2-CD1 3.62Å; L187-F201 HydrophobicContact CD2-CD2 3.53Å; L187-F201 HydrophobicContact CD2-CE1 3.54Å; L187-F201 HydrophobicContact CD2-CE2 3.38Å; L187-F201 HydrophobicContact CD2-CG 3.62Å; L187-F201 HydrophobicContact CD2-CZ 3.38Å; L187-F201 HydrophobicContact CG-CE1 4.44Å; L187-F201 HydrophobicContact CG-CZ 4.44Å; F201-L268 HydrophobicContact CD2-CB 4.15Å; F201-L268 HydrophobicContact CE1-CB 4.28Å; F201-L268 HydrophobicContact CE1-CD1 3.58Å; F201-L268 HydrophobicContact CE1-CG 4.39Å; F201-L268 HydrophobicContact CE2-CB 3.47Å; F201-L268 VanDerWaalsContact CE2-CB 3.47Å; F201-L268 HydrophobicContact CE2-CD1 4.23Å; F201-L268 HydrophobicContact CE2-CD2 4.2Å; F201-L268 HydrophobicContact CE2-CG 4.17Å; F201-L268 HydrophobicContact CZ-CB 3.57Å; F201-L268 HydrophobicContact CZ-CD1 3.41Å; F201-L268 VanDerWaalsContact CZ-CD1 3.41Å; F201-L268 HydrophobicContact CZ-CD2 3.75Å; F201-L268 HydrophobicContact CZ-CG 3.75Å; F201-L272 HydrophobicContact CD2-CD1 3.99Å; F201-L272 HydrophobicContact CE2-CD1 3.6Å
202D83.2Confident79.7Confident56 Ų5650.1 Ų50.130%0.29927%0.266SS..EExtended strand (participates in β ladder)trans-87-54.8172.3-88.4-13.4000110.6S186 R188S186-D202 PolarHBondContact O-N 2.71Å; R188-D202 WeakPolarHBondContact CD-OD1 3.29Å; R188-D202 VanDerWaalsContact CG-OD2 3.28Å; R188-D202 WeakPolarHBondContact CG-OD2 3.46Å; R188-D202 IonicContact CZ-OD1 3.82Å; R188-D202 IonicContact CZ-OD2 2.78Å; R188-D202 IonicContact NE-OD1 3.63Å; R188-D202 PolarHBondContact NE-OD1 3.35Å; R188-D202 IonicContact NE-OD2 2.67Å; R188-D202 PolarHBondContact NE-OD2 2.77Å; R188-D202 VanDerWaalsContact NH2-CG 3.34Å; R188-D202 IonicContact NH2-OD1 3.77Å; R188-D202 PolarHBondContact NH2-OD1 2.94Å; R188-D202 IonicContact NH2-OD2 2.7Å; R188-D202 PolarHBondContact NH2-OD2 3.14Å
203H85.7Confident80.5Confident92 Ų9252.9 Ų52.943%0.42628%0.278SS..EExtended strand (participates in β ladder)trans-152.7155.7178.573.241.4000110.3S186S186-H203 WeakPolarHBondContact CB-CE1 3.17Å; S186-H203 WeakPolarHBondContact CB-ND1 3.36Å; S186-H203 PolarHBondContact N-ND1 3.25Å; S186-H203 PolarHBondContact N-O 2.87Å; S186-H203 PolarHBondContact O-N 2.84Å
204L88Confident81.3Confident8 Ų848.9 Ų48.94%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-137.6129.6161.9175.6153000106.6F183 N184 V185 E261 V264 I265 L268F183-L204 HydrophobicContact CB-CG 4.38Å; F183-L204 HydrophobicContact CD1-CD2 3.51Å; F183-L204 HydrophobicContact CD1-CG 4.19Å; F183-L204 HydrophobicContact CE1-CD2 4.11Å; F183-L204 HydrophobicContact CG-CD2 4.41Å; N184-L204 WeakPolarHBondContact O-CA 3.34Å; V185-L204 HydrophobicContact CG2-CB 4.5Å; V185-L204 HydrophobicContact CG2-CD1 3.83Å; V185-L204 HydrophobicContact CG2-CG 4.08Å; L204-E261 HydrophobicContact CD2-CB 3.94Å; L204-E261 HydrophobicContact CD2-CG 3.91Å; L204-V264 HydrophobicContact CD1-CB 4.18Å; L204-V264 HydrophobicContact CD1-CG1 3.48Å; L204-V264 VanDerWaalsContact CD1-CG1 3.48Å; L204-V264 HydrophobicContact CD2-CB 4.43Å; L204-I265 HydrophobicContact CB-CD1 4.02Å; L204-I265 HydrophobicContact CB-CG1 3.7Å; L204-I265 HydrophobicContact CD1-CG1 4.47Å; L204-I265 HydrophobicContact CD2-CG1 4.46Å; L204-I265 HydrophobicContact CG-CG1 4.45Å; L204-L268 HydrophobicContact CD1-CD1 3.64Å
205K90.7Very high82.1Confident129 Ų12951.1 Ų51.156%0.56127%0.268SS*.EExtended strand (participates in β ladder)trans-138.7134.2-177.4-172.9170.6-176.4174.80110.8F183 N184 T207 E261F183-K205 CarbonylContact C-O 3.59Å; F183-K205 VanDerWaalsContact CA-O 3.28Å; F183-K205 WeakPolarHBondContact CA-O 3.44Å; N184-K205 PolarHBondContact N-O 3.1Å; N184-K205 PolarHBondContact O-N 3.07Å; K205-T207 PolarHBondContact O-N 2.64Å; K205-E261 WeakPolarHBondContact CA-OE1 3.09Å
206I88.6Confident83Confident11 Ų1152.7 Ų52.76%0.05628%0.277CS..EExtended strand (participates in β ladder)trans-68.4115.9168.5-65.5165.9000107.5L181 R182 F183 F257 L260 E261L181-I206 HydrophobicContact CD2-CD1 4.21Å; L181-I206 HydrophobicContact CD2-CG1 4.41Å; L181-I206 HydrophobicContact CD2-CG2 3.74Å; R182-I206 CarbonylContact O-C 3.19Å; R182-I206 WeakPolarHBondContact O-CA 3.32Å; F183-I206 HydrophobicContact CD1-CG1 3.51Å; F183-I206 HydrophobicContact CE1-CD1 3.82Å; F183-I206 HydrophobicContact CE1-CG1 3.24Å; F183-I206 HydrophobicContact CZ-CD1 4.4Å; F183-I206 HydrophobicContact CZ-CG1 4.02Å; I206-F257 HydrophobicContact CB-CD2 4.1Å; I206-F257 HydrophobicContact CB-CE2 4.35Å; I206-F257 HydrophobicContact CD1-CB 3.84Å; I206-F257 HydrophobicContact CD1-CD1 3.86Å; I206-F257 HydrophobicContact CD1-CD2 4.14Å; I206-F257 HydrophobicContact CD1-CE1 4.44Å; I206-F257 HydrophobicContact CD1-CG 3.68Å; I206-F257 HydrophobicContact CG2-CD2 3.96Å; I206-F257 HydrophobicContact CG2-CE2 3.71Å; I206-F257 HydrophobicContact CG2-CZ 4.07Å; I206-L260 HydrophobicContact CD1-CB 4.19Å; I206-E261 HydrophobicContact CD1-CG 3.96Å; I206-E261 HydrophobicContact CG1-CG 3.86Å; I206-E261 PolarHBondContact N-OE1 3.49Å
207T88.3Confident83.6Confident69 Ų6956.1 Ų56.142%0.42329%0.288SS..EExtended strand (participates in β ladder)trans-104.5-19.4-179.851.70000112.8R182 N184 K205R182-T207 PolarHBondContact O-N 3.26Å; R182-T207 PolarHBondContact O-OG1 3.3Å; N184-T207 HydrophobicContact CB-CG2 3.73Å; N184-T207 VanDerWaalsContact CG-CG2 3.5Å; N184-T207 PolarHBondContact OD1-OG1 2.98Å; K205-T207 PolarHBondContact O-N 2.64Å
208Q88.2Confident83.9Confident84 Ų8458.9 Ų58.939%0.39330%0.299SS..EExtended strand (participates in β ladder)trans-141.9139.5177.6-160.6177.9-38.600110.2L181 R182L181-Q208 WeakPolarHBondContact CA-O 3.49Å; R182-Q208 HydrophobicContact CB-CB 3.61Å; R182-Q208 PolarHBondContact N-O 3.26Å; R182-Q208 PolarHBondContact O-N 2.86Å
209L87.6Confident83.5Confident42 Ų4259.7 Ų59.722%0.2230%0.299CS..  trans-138.3123.3163.7174.178.7000105.4L178 L181 D211 I212 F257L178-L209 HydrophobicContact CB-CD1 3.93Å; L178-L209 HydrophobicContact CD2-CD1 3.96Å; L178-L209 HydrophobicContact CD2-CD2 4.41Å; L181-L209 HydrophobicContact CD2-CB 4.33Å; L181-L209 HydrophobicContact CD2-CD1 3.62Å; L181-L209 HydrophobicContact CG-CD1 3.99Å; L209-D211 VanDerWaalsContact CD1-O 3.32Å; L209-D211 WeakPolarHBondContact CD1-O 3.46Å; L209-I212 HydrophobicContact CD2-CB 3.96Å; L209-I212 HydrophobicContact CD2-CG2 4.14Å; L209-F257 HydrophobicContact CB-CE2 4.45Å; L209-F257 HydrophobicContact CB-CZ 3.68Å; L209-F257 HydrophobicContact CD1-CE1 4.45Å; L209-F257 HydrophobicContact CD1-CZ 4.36Å; L209-F257 HydrophobicContact CD2-CE1 3.91Å; L209-F257 HydrophobicContact CD2-CZ 3.51Å; L209-F257 HydrophobicContact CG-CZ 4.02Å
210S88.3Confident82.5Confident79 Ų7963.6 Ų63.655%0.55233%0.325SS*.  trans-75.8-44.2178.5-68.20000111.7I179I179-S210 WeakPolarHBondContact O-CB 3.34Å; I179-S210 PolarHBondContact O-N 3.3Å
211D87.5Confident81.3Confident77 Ų7765.8 Ų65.841%0.41234%0.339SS..EExtended strand (participates in β ladder)trans-157.2157.8-178.7-166.619.1000111.2I179 L209 Q213I179-D211 HydrophobicContact CB-CB 4.12Å; I179-D211 HydrophobicContact CD1-CB 4.24Å; I179-D211 HydrophobicContact CG1-CB 4.47Å; I179-D211 PolarHBondContact N-O 3.3Å; I179-D211 PolarHBondContact O-N 3.21Å; L209-D211 VanDerWaalsContact CD1-O 3.32Å; L209-D211 WeakPolarHBondContact CD1-O 3.46Å; D211-Q213 PolarHBondContact OD2-NE2 2.98Å
212I85.2Confident79.6Confident26 Ų2671.5 Ų71.513%0.13336%0.361CS..EExtended strand (participates in β ladder)trans-132.5120.1171.7178.6169.7000109.1V176 T177 L178 L209 L214 L247 L256V176-I212 HydrophobicContact CG1-CD1 3.85Å; V176-I212 HydrophobicContact CG1-CG1 3.88Å; T177-I212 WeakPolarHBondContact O-CA 3.43Å; L178-I212 HydrophobicContact CD2-CB 4Å; L178-I212 HydrophobicContact CD2-CD1 3.54Å; L178-I212 HydrophobicContact CD2-CG1 3.66Å; L209-I212 HydrophobicContact CD2-CB 3.96Å; L209-I212 HydrophobicContact CD2-CG2 4.14Å; I212-L214 HydrophobicContact CD1-CD1 4.08Å; I212-L214 HydrophobicContact CG1-CD1 4.17Å; I212-L247 HydrophobicContact CB-CD2 4.25Å; I212-L247 HydrophobicContact CD1-CD2 3.75Å; I212-L247 HydrophobicContact CG1-CD2 3.86Å; I212-L247 HydrophobicContact CG2-CD2 3.44Å; I212-L247 VanDerWaalsContact CG2-CD2 3.44Å; I212-L256 HydrophobicContact CD1-CD1 4.36Å
213Q86.1Confident78.1Confident76 Ų7674.4 Ų74.436%0.35538%0.376SS..EExtended strand (participates in β ladder)trans-106.8139.2177-57.6175.2-10.500109V176 T177 I179 D211V176-Q213 CarbonylContact C-O 3.57Å; V176-Q213 WeakPolarHBondContact CA-O 3.25Å; T177-Q213 PolarHBondContact N-O 2.7Å; T177-Q213 PolarHBondContact O-N 2.67Å; I179-Q213 HydrophobicContact CD1-CG 4.2Å; D211-Q213 PolarHBondContact OD2-NE2 2.98Å
214L84.3Confident75.7Confident24 Ų2475.3 Ų75.313%0.12639%0.388CS..EExtended strand (participates in β ladder)trans-133.1126.1-177.4-103.5137.9000109.3I174 H175 V176 I212 L243 L247 L252I174-L214 HydrophobicContact CD1-CD2 3.25Å; I174-L214 HydrophobicContact CG1-CD2 3.47Å; I174-L214 VanDerWaalsContact CG1-CD2 3.47Å; H175-L214 WeakPolarHBondContact O-CA 3.21Å; V176-L214 HydrophobicContact CB-CG 4.4Å; V176-L214 HydrophobicContact CG1-CD1 4.37Å; V176-L214 HydrophobicContact CG1-CG 4.18Å; V176-L214 HydrophobicContact CG2-CD1 4.48Å; V176-L214 HydrophobicContact CG2-CD2 3.53Å; V176-L214 HydrophobicContact CG2-CG 3.79Å; I212-L214 HydrophobicContact CD1-CD1 4.08Å; I212-L214 HydrophobicContact CG1-CD1 4.17Å; L214-L243 HydrophobicContact CD2-CD2 3.83Å; L214-L247 HydrophobicContact CB-CD1 4.42Å; L214-L247 HydrophobicContact CD1-CD1 4.06Å; L214-L247 HydrophobicContact CD1-CD2 3.31Å; L214-L247 HydrophobicContact CD1-CG 3.72Å; L214-L252 HydrophobicContact CD1-CD2 4.01Å; L214-L252 HydrophobicContact CD2-CD2 4.36Å
215H82.4Confident73.4Confident101 Ų10180.1 Ų80.147%0.46842%0.422SS..EExtended strand (participates in β ladder)trans-131130.3177.8-59.1-57.6000109.2I174 H175I174-H215 WeakPolarHBondContact CA-O 3.34Å; H175-H215 PolarHBondContact N-O 2.81Å; H175-H215 PolarHBondContact O-N 2.78Å
216T79.7Confident71Confident40 Ų4083.4 Ų83.425%0.24544%0.436CS..EExtended strand (participates in β ladder)trans-105.8144170.354.80000109.4W158 F173 I174 L243W158-T216 HydrophobicContact CD2-CG2 4.38Å; W158-T216 HydrophobicContact CH2-CG2 4.16Å; W158-T216 HydrophobicContact CZ2-CG2 3.53Å; F173-T216 VanDerWaalsContact O-CA 3.26Å; F173-T216 WeakPolarHBondContact O-CA 3.17Å; I174-T216 HydrophobicContact CB-CG2 4.42Å; I174-T216 HydrophobicContact CD1-CG2 4.39Å; I174-T216 HydrophobicContact CG1-CG2 4.03Å; T216-L243 HydrophobicContact CG2-CD1 3.73Å; T216-L243 HydrophobicContact CG2-CD2 4.11Å
217F77.5Confident68.9Low94 Ų9487.7 Ų87.741%0.41246%0.457SS..EExtended strand (participates in β ladder)trans-152.1158.6173.960.1-91.1000110.9F155 F173 H175F155-F217 HydrophobicContact CD2-CE1 4.4Å; F155-F217 HydrophobicContact CD2-CZ 4.15Å; F155-F217 AromaticContact CE2-CE1 3.75Å; F155-F217 HydrophobicContact CE2-CE1 3.75Å; F155-F217 AromaticContact CE2-CE2 3.92Å; F155-F217 HydrophobicContact CE2-CE2 3.92Å; F155-F217 AromaticContact CE2-CZ 3.2Å; F155-F217 HydrophobicContact CE2-CZ 3.2Å; F155-F217 HydrophobicContact CZ-CE2 4.2Å; F155-F217 AromaticContact CZ-CZ 3.89Å; F155-F217 HydrophobicContact CZ-CZ 3.89Å; F173-F217 HydrophobicContact CB-CD2 4.22Å; F173-F217 HydrophobicContact CB-CE1 4.41Å; F173-F217 HydrophobicContact CB-CE2 4.03Å; F173-F217 HydrophobicContact CB-CZ 4.2Å; F173-F217 HydrophobicContact CD2-CD2 4.34Å; F173-F217 HydrophobicContact CD2-CE2 4.11Å; F173-F217 HydrophobicContact CG-CE2 4.39Å; F173-F217 PolarHBondContact N-O 3.25Å; F173-F217 PolarHBondContact O-N 2.96Å; H175-F217 HydrophobicContact CB-CE1 4.11Å
218Q75.9Confident66.5Low83 Ų8391.7 Ų91.739%0.38848%0.476SS..EExtended strand (participates in β ladder)trans-97.3147173.2-83.6177.9-18.800110.4N172 P220N172-Q218 WeakPolarHBondContact OD1-CG 3.49Å; N172-Q218 PolarHBondContact OD1-NE2 2.79Å; Q218-P220 VanDerWaalsContact O-CD 3.29Å; Q218-P220 WeakPolarHBondContact O-CD 3.35Å
219D66.4Low64.3Low37 Ų3792.9 Ų92.920%0.19849%0.494CS..  trans-57.9119.2168.6-159.6-38.8000109.9N171 F173 I221 Y222N171-D219 PolarHBondContact O-N 3Å; F173-D219 HydrophobicContact CD2-CB 4.46Å; F173-D219 HydrophobicContact CE2-CB 3.79Å; D219-I221 PolarHBondContact O-N 3.17Å; D219-I221 VanDerWaalsContact O-N 3.13Å; D219-I221 WeakPolarHBondContact OD1-CB 3.37Å; D219-I221 WeakPolarHBondContact OD1-CG1 3.34Å; D219-I221 PolarHBondContact OD1-N 3.12Å; D219-Y222 HydrophobicContact CB-CD2 3.94Å; D219-Y222 PolarHBondContact O-N 2.94Å; D219-Y222 VanDerWaalsContact O-N 3.08Å
220P56.5Low62.4Low98 Ų9894.9 Ų94.964%0.63651%0.511SS*.G310 helixtrans-59.9-23.9177.622.1-31.2000113.1Q218 Y222 I223Q218-P220 VanDerWaalsContact O-CD 3.29Å; Q218-P220 WeakPolarHBondContact O-CD 3.35Å; P220-Y222 VanDerWaalsContact C-N 3.27Å; P220-Y222 PolarHBondContact O-N 2.83Å; P220-I223 HydrophobicContact CB-CD1 4.35Å; P220-I223 PolarHBondContact O-N 2.8Å
221I56.4Low60.6Low133 Ų13396.3 Ų96.368%0.68251%0.512SS*.G310 helixtrans-69.6-25.2179.3-59.3173000111.5D219D219-I221 PolarHBondContact O-N 3.17Å; D219-I221 VanDerWaalsContact O-N 3.13Å; D219-I221 WeakPolarHBondContact OD1-CB 3.37Å; D219-I221 WeakPolarHBondContact OD1-CG1 3.34Å; D219-I221 PolarHBondContact OD1-N 3.12Å
222Y45.7Very low58.8Low143 Ų14395.4 Ų95.456%0.56151%0.507SS*.G310 helixtrans-97.84.7-178.8-78.2-85.7000114.7N171 D219 P220 T224N171-Y222 HydrophobicContact CB-CD2 4.28Å; N171-Y222 HydrophobicContact CB-CG 4.21Å; N171-Y222 WeakPolarHBondContact ND2-CB 3.33Å; N171-Y222 WeakPolarHBondContact ND2-CD1 3.37Å; D219-Y222 HydrophobicContact CB-CD2 3.94Å; D219-Y222 PolarHBondContact O-N 2.94Å; D219-Y222 VanDerWaalsContact O-N 3.08Å; P220-Y222 VanDerWaalsContact C-N 3.27Å; P220-Y222 PolarHBondContact O-N 2.83Å; Y222-T224 PolarHBondContact O-N 2.79Å
223I50.3Low57.2Low117 Ų11799.8 Ų99.860%0.653%0.531SS*.  trans-67.3-5.1177.2-63.2178.3000112.1P220 S225P220-I223 HydrophobicContact CB-CD1 4.35Å; P220-I223 PolarHBondContact O-N 2.8Å; I223-S225 PolarHBondContact O-N 3.47Å; I223-S225 VanDerWaalsContact O-N 3.13Å
224T36.1Very low55.6Low111 Ų111100.2 Ų100.268%0.68154%0.539SS*.SBendtrans-75.4105.9173.354.80000111.7Y222Y222-T224 PolarHBondContact O-N 2.79Å
225S39.9Very low54.3Low109 Ų10999.7 Ų99.776%0.76254%0.537SS*.SBendtrans89.3113.9164.381.60000117.2I223I223-S225 PolarHBondContact O-N 3.47Å; I223-S225 VanDerWaalsContact O-N 3.13Å
226K40.7Very low53.2Low197 Ų19798.7 Ų98.786%0.85754%0.535SS*.  trans93.977.2171-60.1176.1172.5175.50116.4
227M42.9Very low52.3Low102 Ų102101.2 Ų101.250%0.50255%0.55SS.*  trans-162.990.7142.4-107.3158.4-174.400110.4S229 N232M227-S229 PolarHBondContact O-N 3.16Å; M227-N232 VanDerWaalsContact CG-OD1 3.27Å; M227-N232 WeakPolarHBondContact CG-OD1 3.43Å; M227-N232 PolarHBondContact SD-OD1 3.15Å
228N38.5Very low51.6Low152 Ų152100.3 Ų100.381%0.81355%0.546SS*.  trans-8296.9167.6-81.5-11.4000109.3S230N228-S230 PolarHBondContact O-N 2.78Å
229S42.7Very low51Low109 Ų10997.1 Ų97.176%0.76253%0.531SS*.THydrogen-bonded Turntrans49.621.1132.876.40000123.3M227M227-S229 PolarHBondContact O-N 3.16Å
230S47.2Very low51Low84 Ų84100.2 Ų100.259%0.58755%0.548SS*.THydrogen-bonded Turntrans-144.9-27.4160.165.80000114.5N228 N232N228-S230 PolarHBondContact O-N 2.78Å; S230-N232 VanDerWaalsContact C-N 3.29Å
231L49.7Very low51.5Low109 Ų109101.8 Ų101.857%0.57155%0.545SS*.Hα-helixtrans-69-25.3170.7-88.9137.8000113D233 T234 V235L231-D233 PolarHBondContact O-N 2.96Å; L231-T234 PolarHBondContact O-OG1 2.77Å; L231-T234 VanDerWaalsContact O-OG1 3.08Å; L231-V235 WeakPolarHBondContact O-CB 3.11Å; L231-V235 WeakPolarHBondContact O-CG2 3.3Å; L231-V235 PolarHBondContact O-N 2.88Å
232N51.6Low52.1Low58 Ų5895.7 Ų95.731%0.3151%0.514SS..Hα-helixtrans-66.1-38.3-179.3-84.414.6000112.7M227 S230 N236M227-N232 VanDerWaalsContact CG-OD1 3.27Å; M227-N232 WeakPolarHBondContact CG-OD1 3.43Å; M227-N232 PolarHBondContact SD-OD1 3.15Å; S230-N232 VanDerWaalsContact C-N 3.29Å; N232-N236 WeakPolarHBondContact O-CB 3.27Å; N232-N236 PolarHBondContact O-N 2.82Å; N232-N236 PolarHBondContact O-ND2 3.29Å
233D50.3Low53.3Low118 Ų11889.4 Ų89.463%0.63149%0.49SS*.Hα-helixtrans-70.8-38.8-177.6-73-17.8000111.7L231 T237L231-D233 PolarHBondContact O-N 2.96Å; D233-T237 PolarHBondContact O-N 3.38Å; D233-T237 PolarHBondContact O-OG1 3.41Å
234T52.9Low54.3Low85 Ų8586.8 Ų86.852%0.52148%0.482SS..Hα-helixtrans-71-38175.850.10000112.3L231 T237 F238L231-T234 PolarHBondContact O-OG1 2.77Å; L231-T234 VanDerWaalsContact O-OG1 3.08Å; T234-T237 WeakPolarHBondContact CA-OG1 3.28Å; T234-T237 PolarHBondContact O-OG1 2.84Å; T234-F238 WeakPolarHBondContact O-CB 3.37Å; T234-F238 PolarHBondContact O-N 3.43Å
235V56.4Low55.9Low14 Ų1484.4 Ų84.49%0.08546%0.461CS..Hα-helixtrans-64.7-50.5173.7171.70000110.1L167 L231 T237 F238 E239L167-V235 HydrophobicContact CD2-CG2 4.19Å; L231-V235 WeakPolarHBondContact O-CB 3.11Å; L231-V235 WeakPolarHBondContact O-CG2 3.3Å; L231-V235 PolarHBondContact O-N 2.88Å; V235-T237 VanDerWaalsContact C-N 3.33Å; V235-T237 PolarHBondContact O-N 2.85Å; V235-F238 PolarHBondContact O-N 2.97Å; V235-E239 HydrophobicContact CG1-CG 4.13Å; V235-E239 WeakPolarHBondContact O-CB 3.22Å; V235-E239 WeakPolarHBondContact O-CG 3.28Å; V235-E239 PolarHBondContact O-N 2.74Å
236N60Low57.3Low79 Ų7979.3 Ų79.342%0.42243%0.425SS..Hα-helixtrans-60.5-40.3179.8-73.8-15.5000112.5N232 N240N232-N236 WeakPolarHBondContact O-CB 3.27Å; N232-N236 PolarHBondContact O-N 2.82Å; N232-N236 PolarHBondContact O-ND2 3.29Å; N236-N240 VanDerWaalsContact O-CB 3.27Å; N236-N240 WeakPolarHBondContact O-CB 3.34Å; N236-N240 PolarHBondContact O-N 2.87Å; N236-N240 PolarHBondContact O-ND2 3.37Å
237T60Low58.7Low94 Ų9472.3 Ų72.358%0.57740%0.397SS*.Hα-helixtrans-68.1-40.4176.734.40000112.5D233 T234 V235 F241D233-T237 PolarHBondContact O-N 3.38Å; D233-T237 PolarHBondContact O-OG1 3.41Å; T234-T237 WeakPolarHBondContact CA-OG1 3.28Å; T234-T237 PolarHBondContact O-OG1 2.84Å; V235-T237 VanDerWaalsContact C-N 3.33Å; V235-T237 PolarHBondContact O-N 2.85Å; T237-F241 WeakPolarHBondContact O-CB 3.36Å; T237-F241 PolarHBondContact O-N 2.93Å
238F63.1Low59.7Low74 Ų7473.6 Ų73.633%0.32541%0.406SS..Hα-helixtrans-69.6-40.3176.9-175.8-102.9000112.8L160 L167 T234 V235 F241 T242L160-F238 HydrophobicContact CD2-CE1 3.86Å; L167-F238 HydrophobicContact CD1-CD1 4.01Å; L167-F238 HydrophobicContact CD1-CE1 3.96Å; T234-F238 WeakPolarHBondContact O-CB 3.37Å; T234-F238 PolarHBondContact O-N 3.43Å; V235-F238 PolarHBondContact O-N 2.97Å; F238-F241 PolarHBondContact O-N 2.87Å; F238-T242 WeakPolarHBondContact O-CB 3.37Å; F238-T242 PolarHBondContact O-N 3.46Å; F238-T242 PolarHBondContact O-OG1 2.87Å
239E63.7Low60.8Low16 Ų1672.5 Ų72.58%0.07539%0.393CS..Hα-helixtrans-59.5-49.5172.1-72.8-169.9170.600110.5W158 V235 F241 T242 L243W158-E239 HydrophobicContact CH2-CB 4.36Å; W158-E239 HydrophobicContact CH2-CG 3.85Å; W158-E239 HydrophobicContact CZ2-CG 4.22Å; V235-E239 HydrophobicContact CG1-CG 4.13Å; V235-E239 WeakPolarHBondContact O-CB 3.22Å; V235-E239 WeakPolarHBondContact O-CG 3.28Å; V235-E239 PolarHBondContact O-N 2.74Å; E239-F241 VanDerWaalsContact C-N 3.34Å; E239-F241 PolarHBondContact O-N 2.75Å; E239-T242 PolarHBondContact O-N 3.42Å; E239-T242 VanDerWaalsContact O-N 3.11Å; E239-L243 WeakPolarHBondContact O-CB 3.28Å; E239-L243 VanDerWaalsContact O-CG 3.29Å; E239-L243 WeakPolarHBondContact O-CG 3.42Å; E239-L243 PolarHBondContact O-N 2.86Å
240N66.1Low61.8Low102 Ų10270.3 Ų70.355%0.54537%0.373SS..Hα-helixtrans-60.6-42.4177.9-76.6-23.4000112.3N236 T242 S244N236-N240 VanDerWaalsContact O-CB 3.27Å; N236-N240 WeakPolarHBondContact O-CB 3.34Å; N236-N240 PolarHBondContact O-N 2.87Å; N236-N240 PolarHBondContact O-ND2 3.37Å; N240-T242 VanDerWaalsContact C-N 3.33Å; N240-T242 PolarHBondContact O-N 3.24Å; N240-S244 WeakPolarHBondContact O-CB 3.36Å; N240-S244 PolarHBondContact O-N 3.39Å
241F67.9Low62.8Low131 Ų13168 Ų6858%0.57536%0.357SS*.Hα-helixtrans-61.7-43.4174.6173.9-95.8000111.3T237 F238 E239 W245T237-F241 WeakPolarHBondContact O-CB 3.36Å; T237-F241 PolarHBondContact O-N 2.93Å; F238-F241 PolarHBondContact O-N 2.87Å; E239-F241 VanDerWaalsContact C-N 3.34Å; E239-F241 PolarHBondContact O-N 2.75Å; F241-W245 WeakPolarHBondContact O-CB 3.21Å; F241-W245 PolarHBondContact O-N 2.84Å
242T69Low63.7Low5 Ų563 Ų633%0.03133%0.33CS..Hα-helixtrans-70.8-40.9-177.6-53.60000111.5M79 L160 F238 E239 N240 W245 L246M79-T242 HydrophobicContact SD-CG2 4.46Å; L160-T242 HydrophobicContact CD1-CG2 3.56Å; L160-T242 HydrophobicContact CD2-CG2 3.93Å; L160-T242 HydrophobicContact CG-CG2 3.95Å; F238-T242 WeakPolarHBondContact O-CB 3.37Å; F238-T242 PolarHBondContact O-N 3.46Å; F238-T242 PolarHBondContact O-OG1 2.87Å; E239-T242 PolarHBondContact O-N 3.42Å; E239-T242 VanDerWaalsContact O-N 3.11Å; N240-T242 VanDerWaalsContact C-N 3.33Å; N240-T242 PolarHBondContact O-N 3.24Å; T242-W245 CarbonylContact O-C 3.58Å; T242-W245 PolarHBondContact O-N 2.79Å; T242-L246 HydrophobicContact CG2-CD1 3.94Å; T242-L246 HydrophobicContact CG2-CG 4.17Å; T242-L246 VanDerWaalsContact O-CB 3.28Å; T242-L246 WeakPolarHBondContact O-CB 3.44Å; T242-L246 WeakPolarHBondContact O-CG 3.25Å; T242-L246 PolarHBondContact O-N 2.62Å
243L70.2Confident64.9Low12 Ų1264.4 Ų64.46%0.06333%0.331CS..Hα-helixtrans-63-46.3175.4-71165.8000110.9I174 L214 T216 E239 W245 L246 L247I174-L243 HydrophobicContact CD1-CD2 4.03Å; L214-L243 HydrophobicContact CD2-CD2 3.83Å; T216-L243 HydrophobicContact CG2-CD1 3.73Å; T216-L243 HydrophobicContact CG2-CD2 4.11Å; E239-L243 WeakPolarHBondContact O-CB 3.28Å; E239-L243 VanDerWaalsContact O-CG 3.29Å; E239-L243 WeakPolarHBondContact O-CG 3.42Å; E239-L243 PolarHBondContact O-N 2.86Å; L243-W245 VanDerWaalsContact C-N 3.33Å; L243-W245 PolarHBondContact O-N 3.39Å; L243-L246 PolarHBondContact O-N 3.04Å; L243-L247 WeakPolarHBondContact O-CB 3.39Å; L243-L247 WeakPolarHBondContact O-CG 3.25Å; L243-L247 PolarHBondContact O-N 3.4Å
244S70.6Confident66.3Low62 Ų6264.4 Ų64.443%0.43433%0.327SS..Hα-helixtrans-57.9-47173.4178.60000111N240 L246 L247 D248N240-S244 WeakPolarHBondContact O-CB 3.36Å; N240-S244 PolarHBondContact O-N 3.39Å; S244-L246 PolarHBondContact O-N 3.47Å; S244-L247 PolarHBondContact O-N 3.08Å; S244-D248 WeakPolarHBondContact O-CB 3.3Å; S244-D248 PolarHBondContact O-N 3.18Å
245W71Confident67.5Low61 Ų6162.8 Ų62.823%0.23132%0.315CS..Hα-helixtrans-61.9-42.5176.3-175.194.9000112.3W78 M79 F241 T242 L243 L247 D248 K249W78-W245 HydrophobicContact CH2-CH2 4.16Å; W78-W245 AromaticContact CZ2-CH2 3.9Å; W78-W245 HydrophobicContact CZ2-CH2 3.9Å; M79-W245 HydrophobicContact CE-CD2 4.47Å; M79-W245 HydrophobicContact CE-CE3 4.05Å; M79-W245 HydrophobicContact CE-CH2 3.69Å; M79-W245 HydrophobicContact CE-CZ2 4.08Å; M79-W245 HydrophobicContact CE-CZ3 3.65Å; M79-W245 HydrophobicContact SD-CE3 4.27Å; M79-W245 HydrophobicContact SD-CH2 4.49Å; M79-W245 HydrophobicContact SD-CZ3 3.92Å; F241-W245 WeakPolarHBondContact O-CB 3.21Å; F241-W245 PolarHBondContact O-N 2.84Å; T242-W245 CarbonylContact O-C 3.58Å; T242-W245 PolarHBondContact O-N 2.79Å; L243-W245 VanDerWaalsContact C-N 3.33Å; L243-W245 PolarHBondContact O-N 3.39Å; W245-L247 VanDerWaalsContact C-N 3.3Å; W245-L247 PolarHBondContact O-N 3.13Å; W245-D248 PolarHBondContact O-N 2.79Å; W245-K249 HydrophobicContact CD2-CB 4.14Å; W245-K249 HydrophobicContact CD2-CG 4.11Å; W245-K249 HydrophobicContact CE3-CB 4.36Å; W245-K249 HydrophobicContact CG-CG 4.45Å; W245-K249 HydrophobicContact CH2-CB 4.18Å; W245-K249 HydrophobicContact CH2-CG 4.46Å; W245-K249 HydrophobicContact CZ2-CB 3.99Å; W245-K249 HydrophobicContact CZ2-CD 4.09Å; W245-K249 HydrophobicContact CZ2-CG 3.78Å; W245-K249 HydrophobicContact CZ3-CB 4.37Å; W245-K249 VanDerWaalsContact O-CB 3.25Å; W245-K249 WeakPolarHBondContact O-CB 3.29Å; W245-K249 PolarHBondContact O-N 2.9Å
246L69.8Low68.6Low1 Ų162.5 Ų62.51%0.00531%0.313CS..Hα-helixtrans-64.4-35.6179.6-78.3168.7000111.9I80 T242 L243 S244 L252I80-L246 HydrophobicContact CD1-CD1 4.21Å; T242-L246 HydrophobicContact CG2-CD1 3.94Å; T242-L246 HydrophobicContact CG2-CG 4.17Å; T242-L246 VanDerWaalsContact O-CB 3.28Å; T242-L246 WeakPolarHBondContact O-CB 3.44Å; T242-L246 WeakPolarHBondContact O-CG 3.25Å; T242-L246 PolarHBondContact O-N 2.62Å; L243-L246 PolarHBondContact O-N 3.04Å; S244-L246 PolarHBondContact O-N 3.47Å; L246-L252 HydrophobicContact CB-CB 3.86Å; L246-L252 HydrophobicContact CB-CD2 4.09Å; L246-L252 HydrophobicContact CD1-CD2 4.37Å; L246-L252 HydrophobicContact CD2-CB 4.04Å; L246-L252 HydrophobicContact CG-CB 4.44Å
247L68.8Low69.9Low51 Ų5160 Ų6027%0.26730%0.298SS..Hα-helixtrans-70-47.5172.9-75.6177.3000111.9I212 L214 L243 S244 W245I212-L247 HydrophobicContact CB-CD2 4.25Å; I212-L247 HydrophobicContact CD1-CD2 3.75Å; I212-L247 HydrophobicContact CG1-CD2 3.86Å; I212-L247 HydrophobicContact CG2-CD2 3.44Å; I212-L247 VanDerWaalsContact CG2-CD2 3.44Å; L214-L247 HydrophobicContact CB-CD1 4.42Å; L214-L247 HydrophobicContact CD1-CD1 4.06Å; L214-L247 HydrophobicContact CD1-CD2 3.31Å; L214-L247 HydrophobicContact CD1-CG 3.72Å; L243-L247 WeakPolarHBondContact O-CB 3.39Å; L243-L247 WeakPolarHBondContact O-CG 3.25Å; L243-L247 PolarHBondContact O-N 3.4Å; S244-L247 PolarHBondContact O-N 3.08Å; W245-L247 VanDerWaalsContact C-N 3.3Å; W245-L247 PolarHBondContact O-N 3.13Å
248D64.8Low71Confident129 Ų12960.2 Ų60.269%0.6930%0.296SS*.Hα-helixtrans-71-42.7-176.3-93.8-3.3000113.1S244 W245 I250S244-D248 WeakPolarHBondContact O-CB 3.3Å; S244-D248 PolarHBondContact O-N 3.18Å; W245-D248 PolarHBondContact O-N 2.79Å; D248-I250 PolarHBondContact O-N 2.78Å; D248-I250 VanDerWaalsContact O-N 3.14Å
249K60.7Low71.8Confident128 Ų12860.2 Ų60.256%0.55730%0.295SS*.THydrogen-bonded Turntrans-80.811-173.4-89.6-92.4-176.6177.40114.2W245 S251W245-K249 HydrophobicContact CD2-CB 4.14Å; W245-K249 HydrophobicContact CD2-CG 4.11Å; W245-K249 HydrophobicContact CE3-CB 4.36Å; W245-K249 HydrophobicContact CG-CG 4.45Å; W245-K249 HydrophobicContact CH2-CB 4.18Å; W245-K249 HydrophobicContact CH2-CG 4.46Å; W245-K249 HydrophobicContact CZ2-CB 3.99Å; W245-K249 HydrophobicContact CZ2-CD 4.09Å; W245-K249 HydrophobicContact CZ2-CG 3.78Å; W245-K249 HydrophobicContact CZ3-CB 4.37Å; W245-K249 VanDerWaalsContact O-CB 3.25Å; W245-K249 WeakPolarHBondContact O-CB 3.29Å; W245-K249 PolarHBondContact O-N 2.9Å; K249-S251 PolarHBondContact O-N 2.86Å; K249-S251 PolarHBondContact O-OG 3.3Å
250I63.6Low72.6Confident64 Ų6459.7 Ų59.733%0.32829%0.292SS..SBendtrans66.7-15.6175.5-56.3171.1000113D248 L252 R253 E254D248-I250 PolarHBondContact O-N 2.78Å; D248-I250 VanDerWaalsContact O-N 3.14Å; I250-L252 PolarHBondContact O-N 2.87Å; I250-R253 PolarHBondContact O-N 2.94Å; I250-E254 HydrophobicContact CG2-CB 4.33Å; I250-E254 HydrophobicContact CG2-CG 3.43Å; I250-E254 VanDerWaalsContact CG2-CG 3.43Å; I250-E254 WeakPolarHBondContact CG2-OE1 3.47Å; I250-E254 WeakPolarHBondContact O-CB 3.33Å; I250-E254 PolarHBondContact O-N 2.78Å
251S68.4Low73.5Confident36 Ų3656.3 Ų56.325%0.25227%0.273SS..Hα-helixtrans-66.6-47.8-167.1-57.40000112.8K249 I255K249-S251 PolarHBondContact O-N 2.86Å; K249-S251 PolarHBondContact O-OG 3.3Å; S251-I255 WeakPolarHBondContact O-CD1 3.32Å; S251-I255 WeakPolarHBondContact O-CG1 3.4Å; S251-I255 PolarHBondContact O-N 2.85Å
252L69.7Low74.2Confident2 Ų253 Ų531%0.0126%0.264CS..Hα-helixtrans-68.7-41.8176.2-176.965.3000110.6I80 L214 L246 I250 E254 I255 L256I80-L252 HydrophobicContact CG2-CD1 4.2Å; L214-L252 HydrophobicContact CD1-CD2 4.01Å; L214-L252 HydrophobicContact CD2-CD2 4.36Å; L246-L252 HydrophobicContact CB-CB 3.86Å; L246-L252 HydrophobicContact CB-CD2 4.09Å; L246-L252 HydrophobicContact CD1-CD2 4.37Å; L246-L252 HydrophobicContact CD2-CB 4.04Å; L246-L252 HydrophobicContact CG-CB 4.44Å; I250-L252 PolarHBondContact O-N 2.87Å; L252-E254 PolarHBondContact O-N 2.92Å; L252-I255 PolarHBondContact O-N 2.98Å; L252-L256 HydrophobicContact CD1-CD1 4.26Å; L252-L256 HydrophobicContact CD1-CG 4.19Å; L252-L256 HydrophobicContact CD2-CD1 4.33Å; L252-L256 HydrophobicContact CG-CD1 3.83Å; L252-L256 HydrophobicContact CG-CG 4.19Å; L252-L256 WeakPolarHBondContact O-CB 3.37Å; L252-L256 VanDerWaalsContact O-CG 3.26Å; L252-L256 WeakPolarHBondContact O-CG 3.42Å; L252-L256 PolarHBondContact O-N 3.42Å
253R76.1Confident74.5Confident88 Ų8853.8 Ų53.833%0.33227%0.269SS..Hα-helixtrans-57.7-49.4178.7-171.4-173.775.5-166.52.5111.8I250 I255 L256 F257I250-R253 PolarHBondContact O-N 2.94Å; R253-I255 VanDerWaalsContact C-N 3.35Å; R253-I255 PolarHBondContact O-N 2.72Å; R253-L256 PolarHBondContact O-N 3.02Å; R253-F257 HydrophobicContact CG-CD1 4Å; R253-F257 HydrophobicContact CG-CD2 4.26Å; R253-F257 HydrophobicContact CG-CE1 3.61Å; R253-F257 HydrophobicContact CG-CE2 3.89Å; R253-F257 HydrophobicContact CG-CG 4.31Å; R253-F257 HydrophobicContact CG-CZ 3.55Å; R253-F257 VanDerWaalsContact O-CB 3.25Å; R253-F257 WeakPolarHBondContact O-CB 3.44Å; R253-F257 WeakPolarHBondContact O-CD1 3.26Å; R253-F257 WeakPolarHBondContact O-CG 3.27Å; R253-F257 PolarHBondContact O-N 3.31Å
254E79.9Confident74.8Confident118 Ų11853.8 Ų53.855%0.55127%0.27SS*.Hα-helixtrans-63.3-40.5179.1-89.1175.6-176.700112.3I250 L252 F257 N258I250-E254 HydrophobicContact CG2-CB 4.33Å; I250-E254 HydrophobicContact CG2-CG 3.43Å; I250-E254 VanDerWaalsContact CG2-CG 3.43Å; I250-E254 WeakPolarHBondContact CG2-OE1 3.47Å; I250-E254 WeakPolarHBondContact O-CB 3.33Å; I250-E254 PolarHBondContact O-N 2.78Å; L252-E254 PolarHBondContact O-N 2.92Å; E254-F257 PolarHBondContact O-N 3.27Å; E254-N258 VanDerWaalsContact O-CB 3.25Å; E254-N258 WeakPolarHBondContact O-CB 3.18Å; E254-N258 PolarHBondContact O-N 3.3Å
255I78.1Confident75.3Confident52 Ų5252.9 Ų52.927%0.26726%0.26SS..Hα-helixtrans-64.5-48.4176.7-68.8167.7000110.2I75 N77 S251 L252 R253 F257 N258 Y259I75-I255 HydrophobicContact CG2-CG2 3.53Å; N77-I255 HydrophobicContact CB-CD1 4.04Å; N77-I255 WeakPolarHBondContact ND2-CD1 3.46Å; S251-I255 WeakPolarHBondContact O-CD1 3.32Å; S251-I255 WeakPolarHBondContact O-CG1 3.4Å; S251-I255 PolarHBondContact O-N 2.85Å; L252-I255 PolarHBondContact O-N 2.98Å; R253-I255 VanDerWaalsContact C-N 3.35Å; R253-I255 PolarHBondContact O-N 2.72Å; I255-F257 VanDerWaalsContact C-N 3.3Å; I255-F257 PolarHBondContact O-N 3.12Å; I255-N258 PolarHBondContact O-N 2.92Å; I255-Y259 VanDerWaalsContact O-CB 3.31Å; I255-Y259 WeakPolarHBondContact O-CB 3.26Å; I255-Y259 PolarHBondContact O-N 3.34Å
256L79.6Confident75.6Confident7 Ų754.1 Ų54.14%0.03727%0.271CS..Hα-helixtrans-61.2-40.4176.9-70.7176.6000111.5L82 M154 V176 I212 L252 R253 Y259 L260L82-L256 HydrophobicContact CD1-CD2 4.42Å; M154-L256 HydrophobicContact CE-CD1 4.46Å; M154-L256 HydrophobicContact CE-CD2 3.64Å; M154-L256 HydrophobicContact SD-CD2 3.52Å; M154-L256 VanDerWaalsContact SD-CD2 3.52Å; V176-L256 HydrophobicContact CG1-CD1 4.13Å; I212-L256 HydrophobicContact CD1-CD1 4.36Å; L252-L256 HydrophobicContact CD1-CD1 4.26Å; L252-L256 HydrophobicContact CD1-CG 4.19Å; L252-L256 HydrophobicContact CD2-CD1 4.33Å; L252-L256 HydrophobicContact CG-CD1 3.83Å; L252-L256 HydrophobicContact CG-CG 4.19Å; L252-L256 WeakPolarHBondContact O-CB 3.37Å; L252-L256 VanDerWaalsContact O-CG 3.26Å; L252-L256 WeakPolarHBondContact O-CG 3.42Å; L252-L256 PolarHBondContact O-N 3.42Å; R253-L256 PolarHBondContact O-N 3.02Å; L256-Y259 PolarHBondContact O-N 3.46Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 3.49Å
257F86.2Confident75.8Confident26 Ų2654.8 Ų54.811%0.11427%0.274CS..Hα-helixtrans-66.6-51.2179.1-79.916.5000111.2L178 I206 L209 R253 E254 I255 Y259 L260 E261L178-F257 HydrophobicContact CD2-CE1 4.41Å; I206-F257 HydrophobicContact CB-CD2 4.1Å; I206-F257 HydrophobicContact CB-CE2 4.35Å; I206-F257 HydrophobicContact CD1-CB 3.84Å; I206-F257 HydrophobicContact CD1-CD1 3.86Å; I206-F257 HydrophobicContact CD1-CD2 4.14Å; I206-F257 HydrophobicContact CD1-CE1 4.44Å; I206-F257 HydrophobicContact CD1-CG 3.68Å; I206-F257 HydrophobicContact CG2-CD2 3.96Å; I206-F257 HydrophobicContact CG2-CE2 3.71Å; I206-F257 HydrophobicContact CG2-CZ 4.07Å; L209-F257 HydrophobicContact CB-CE2 4.45Å; L209-F257 HydrophobicContact CB-CZ 3.68Å; L209-F257 HydrophobicContact CD1-CE1 4.45Å; L209-F257 HydrophobicContact CD1-CZ 4.36Å; L209-F257 HydrophobicContact CD2-CE1 3.91Å; L209-F257 HydrophobicContact CD2-CZ 3.51Å; L209-F257 HydrophobicContact CG-CZ 4.02Å; R253-F257 HydrophobicContact CG-CD1 4Å; R253-F257 HydrophobicContact CG-CD2 4.26Å; R253-F257 HydrophobicContact CG-CE1 3.61Å; R253-F257 HydrophobicContact CG-CE2 3.89Å; R253-F257 HydrophobicContact CG-CG 4.31Å; R253-F257 HydrophobicContact CG-CZ 3.55Å; R253-F257 VanDerWaalsContact O-CB 3.25Å; R253-F257 WeakPolarHBondContact O-CB 3.44Å; R253-F257 WeakPolarHBondContact O-CD1 3.26Å; R253-F257 WeakPolarHBondContact O-CG 3.27Å; R253-F257 PolarHBondContact O-N 3.31Å; E254-F257 PolarHBondContact O-N 3.27Å; I255-F257 VanDerWaalsContact C-N 3.3Å; I255-F257 PolarHBondContact O-N 3.12Å; F257-Y259 PolarHBondContact O-N 2.78Å; F257-L260 PolarHBondContact O-N 2.92Å; F257-L260 VanDerWaalsContact O-N 3.14Å; F257-E261 WeakPolarHBondContact O-CB 3.5Å; F257-E261 WeakPolarHBondContact O-CG 3.11Å; F257-E261 PolarHBondContact O-N 2.77Å
258N83.7Confident76.1Confident100 Ų10052.8 Ų52.854%0.53526%0.264SS..Hα-helixtrans-57.2-38.9177-17340.9000110.9E254 I255 T262E254-N258 VanDerWaalsContact O-CB 3.25Å; E254-N258 WeakPolarHBondContact O-CB 3.18Å; E254-N258 PolarHBondContact O-N 3.3Å; I255-N258 PolarHBondContact O-N 2.92Å; N258-T262 WeakPolarHBondContact O-CB 3.33Å; N258-T262 PolarHBondContact O-N 2.72Å; N258-T262 PolarHBondContact O-OG1 2.99Å
259Y79.4Confident76.7Confident74 Ų7449.3 Ų49.329%0.2925%0.245SC..Hα-helixtrans-65.8-48.2176.1-161.9-78.3000112.5I72 I75 I255 L256 F257 T262 S263I72-Y259 HydrophobicContact CB-CE1 4.28Å; I72-Y259 HydrophobicContact CD1-CD1 3.77Å; I72-Y259 HydrophobicContact CD1-CE1 3.07Å; I72-Y259 HydrophobicContact CG1-CE1 3.46Å; I72-Y259 VanDerWaalsContact CG1-CE1 3.46Å; I72-Y259 VanDerWaalsContact CG1-OH 3.29Å; I72-Y259 WeakPolarHBondContact CG1-OH 3.31Å; I72-Y259 HydrophobicContact CG2-CE1 3.95Å; I72-Y259 HydrophobicContact CG2-CE2 3.9Å; I72-Y259 WeakPolarHBondContact CG2-OH 3.07Å; I75-Y259 HydrophobicContact CD1-CD1 4.33Å; I75-Y259 HydrophobicContact CD1-CD2 3.73Å; I75-Y259 HydrophobicContact CD1-CE2 4.29Å; I75-Y259 HydrophobicContact CD1-CG 3.78Å; I75-Y259 HydrophobicContact CG1-CD2 3.81Å; I75-Y259 HydrophobicContact CG1-CE2 4.06Å; I75-Y259 HydrophobicContact CG1-CG 4.38Å; I255-Y259 VanDerWaalsContact O-CB 3.31Å; I255-Y259 WeakPolarHBondContact O-CB 3.26Å; I255-Y259 PolarHBondContact O-N 3.34Å; L256-Y259 PolarHBondContact O-N 3.46Å; F257-Y259 PolarHBondContact O-N 2.78Å; Y259-T262 PolarHBondContact O-N 3.45Å; Y259-S263 WeakPolarHBondContact CD1-OG 3.11Å; Y259-S263 WeakPolarHBondContact CE1-OG 3.49Å; Y259-S263 WeakPolarHBondContact O-CB 3.38Å; Y259-S263 PolarHBondContact O-N 3.2Å; Y259-S263 PolarHBondContact O-OG 2.78Å
260L80.7Confident77.4Confident5 Ų550 Ų503%0.02625%0.248CC..Hα-helixtrans-61.9-44.9177.4-77.6164.5000111.5I87 F90 V152 L178 I206 L256 F257 S263 V264I87-L260 HydrophobicContact CD1-CD2 4.01Å; I87-L260 HydrophobicContact CG2-CD2 4.33Å; F90-L260 HydrophobicContact CE1-CD2 4.42Å; F90-L260 HydrophobicContact CZ-CD2 3.8Å; V152-L260 HydrophobicContact CG1-CD2 4.16Å; L178-L260 HydrophobicContact CD1-CD1 3.19Å; I206-L260 HydrophobicContact CD1-CB 4.19Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 3.49Å; F257-L260 PolarHBondContact O-N 2.92Å; F257-L260 VanDerWaalsContact O-N 3.14Å; L260-S263 PolarHBondContact O-N 2.87Å; L260-V264 WeakPolarHBondContact O-CB 3.19Å; L260-V264 WeakPolarHBondContact O-CG2 3.43Å; L260-V264 PolarHBondContact O-N 2.72Å
261E86.4Confident77.7Confident30 Ų3048 Ų4814%0.1424%0.239CC..Hα-helixtrans-57-51.3175.3-71.6174.1176.700110.4L204 K205 I206 F257 S263 V264 I265L204-E261 HydrophobicContact CD2-CB 3.94Å; L204-E261 HydrophobicContact CD2-CG 3.91Å; K205-E261 WeakPolarHBondContact CA-OE1 3.09Å; I206-E261 HydrophobicContact CD1-CG 3.96Å; I206-E261 HydrophobicContact CG1-CG 3.86Å; I206-E261 PolarHBondContact N-OE1 3.49Å; F257-E261 WeakPolarHBondContact O-CB 3.5Å; F257-E261 WeakPolarHBondContact O-CG 3.11Å; F257-E261 PolarHBondContact O-N 2.77Å; E261-S263 PolarHBondContact O-N 3.06Å; E261-V264 PolarHBondContact O-N 3.11Å; E261-I265 WeakPolarHBondContact O-CB 3.33Å; E261-I265 WeakPolarHBondContact O-CD1 3.4Å; E261-I265 WeakPolarHBondContact O-CG1 3.47Å; E261-I265 PolarHBondContact O-N 3.13Å
262T82.3Confident77.9Confident61 Ų6146.7 Ų46.737%0.37423%0.228SC..Hα-helixtrans-61.6-42.7179-54.20000111.7N258 Y259 V264 I265 D266N258-T262 WeakPolarHBondContact O-CB 3.33Å; N258-T262 PolarHBondContact O-N 2.72Å; N258-T262 PolarHBondContact O-OG1 2.99Å; Y259-T262 PolarHBondContact O-N 3.45Å; T262-V264 PolarHBondContact O-N 3.48Å; T262-I265 WeakPolarHBondContact O-CB 3.2Å; T262-I265 PolarHBondContact O-N 2.98Å; T262-D266 WeakPolarHBondContact O-CB 3.29Å; T262-D266 PolarHBondContact O-N 3.42Å
263S74.3Confident78.1Confident22 Ų2249.9 Ų49.915%0.15425%0.251CS..Hα-helixtrans-62.9-44.6178.8-61.50000112Y259 L260 E261 D266 I267Y259-S263 WeakPolarHBondContact CD1-OG 3.11Å; Y259-S263 WeakPolarHBondContact CE1-OG 3.49Å; Y259-S263 WeakPolarHBondContact O-CB 3.38Å; Y259-S263 PolarHBondContact O-N 3.2Å; Y259-S263 PolarHBondContact O-OG 2.78Å; L260-S263 PolarHBondContact O-N 2.87Å; E261-S263 PolarHBondContact O-N 3.06Å; S263-D266 PolarHBondContact O-N 2.89Å; S263-I267 WeakPolarHBondContact O-CD1 3.4Å; S263-I267 VanDerWaalsContact O-CG1 3.27Å; S263-I267 WeakPolarHBondContact O-CG1 3.28Å; S263-I267 PolarHBondContact O-N 2.71Å
264V76Confident77.7Confident12 Ų1251 Ų517%0.07326%0.26CS..Hα-helixtrans-67.1-40.8177.9177.30000110.1F90 L204 L260 E261 T262 I267 L268F90-V264 HydrophobicContact CD1-CG2 4.31Å; F90-V264 HydrophobicContact CE1-CG2 3.6Å; F90-V264 HydrophobicContact CZ-CG2 4.36Å; L204-V264 HydrophobicContact CD1-CB 4.18Å; L204-V264 HydrophobicContact CD1-CG1 3.48Å; L204-V264 VanDerWaalsContact CD1-CG1 3.48Å; L204-V264 HydrophobicContact CD2-CB 4.43Å; L260-V264 WeakPolarHBondContact O-CB 3.19Å; L260-V264 WeakPolarHBondContact O-CG2 3.43Å; L260-V264 PolarHBondContact O-N 2.72Å; E261-V264 PolarHBondContact O-N 3.11Å; T262-V264 PolarHBondContact O-N 3.48Å; V264-I267 PolarHBondContact O-N 3.5Å; V264-L268 HydrophobicContact CG1-CD1 3.6Å; V264-L268 HydrophobicContact CG1-CG 4.3Å; V264-L268 VanDerWaalsContact O-CB 3.25Å; V264-L268 WeakPolarHBondContact O-CB 3.27Å; V264-L268 WeakPolarHBondContact O-CD1 3.33Å; V264-L268 WeakPolarHBondContact O-CG 3.13Å; V264-L268 PolarHBondContact O-N 3.31Å
265I81.4Confident76.9Confident43 Ų4345.9 Ų45.922%0.22124%0.236CC..Hα-helixtrans-58.1-47.2173.3-72.4165.3000110.9L204 E261 T262 I267 L268 N269L204-I265 HydrophobicContact CB-CD1 4.02Å; L204-I265 HydrophobicContact CB-CG1 3.7Å; L204-I265 HydrophobicContact CD1-CG1 4.47Å; L204-I265 HydrophobicContact CD2-CG1 4.46Å; L204-I265 HydrophobicContact CG-CG1 4.45Å; E261-I265 WeakPolarHBondContact O-CB 3.33Å; E261-I265 WeakPolarHBondContact O-CD1 3.4Å; E261-I265 WeakPolarHBondContact O-CG1 3.47Å; E261-I265 PolarHBondContact O-N 3.13Å; T262-I265 WeakPolarHBondContact O-CB 3.2Å; T262-I265 PolarHBondContact O-N 2.98Å; I265-I267 PolarHBondContact O-N 3.22Å; I265-L268 PolarHBondContact O-N 3.17Å; I265-N269 WeakPolarHBondContact CG2-ND2 3.42Å; I265-N269 WeakPolarHBondContact O-CB 3.45Å; I265-N269 PolarHBondContact O-N 2.85Å; I265-N269 PolarHBondContact O-ND2 3.3Å
266D78.7Confident76.4Confident87 Ų8746.3 Ų46.347%0.46524%0.237SC..Hα-helixtrans-64.1-41.8-179-82.4-10.4000112.3T262 S263 N269 K270T262-D266 WeakPolarHBondContact O-CB 3.29Å; T262-D266 PolarHBondContact O-N 3.42Å; S263-D266 PolarHBondContact O-N 2.89Å; D266-N269 PolarHBondContact O-N 2.97Å; D266-K270 WeakPolarHBondContact O-CG 3.43Å; D266-K270 PolarHBondContact O-N 2.92Å
267I73.1Confident75.6Confident15 Ų1549.8 Ų49.88%0.07726%0.262CS..Hα-helixtrans-63.7-45.4175.4-67.8163.1000110.4Y63 L64 F70 S263 V264 I265 K270 N271Y63-I267 HydrophobicContact CD1-CG2 3.8Å; Y63-I267 HydrophobicContact CE1-CG2 3.78Å; L64-I267 HydrophobicContact CD2-CD1 3.99Å; L64-I267 HydrophobicContact CD2-CG2 3.96Å; F70-I267 HydrophobicContact CD1-CD1 3.88Å; F70-I267 HydrophobicContact CD2-CD1 4.44Å; F70-I267 HydrophobicContact CE1-CD1 3.5Å; F70-I267 HydrophobicContact CE1-CG1 4.15Å; F70-I267 HydrophobicContact CE2-CD1 4.11Å; F70-I267 HydrophobicContact CG-CD1 4.34Å; F70-I267 HydrophobicContact CZ-CD1 3.66Å; S263-I267 WeakPolarHBondContact O-CD1 3.4Å; S263-I267 VanDerWaalsContact O-CG1 3.27Å; S263-I267 WeakPolarHBondContact O-CG1 3.28Å; S263-I267 PolarHBondContact O-N 2.71Å; V264-I267 PolarHBondContact O-N 3.5Å; I265-I267 PolarHBondContact O-N 3.22Å; I267-K270 PolarHBondContact O-N 2.8Å; I267-N271 PolarHBondContact O-N 3.14Å; I267-N271 PolarHBondContact O-ND2 3.11Å
268L74.5Confident74.1Confident10 Ų1052.3 Ų52.35%0.05228%0.277CS..Hα-helixtrans-62.8-43178.2-78.5166.7000111.5T60 F201 L204 V264 I265 N271 L272T60-L268 HydrophobicContact CG2-CD2 3.48Å; T60-L268 VanDerWaalsContact CG2-CD2 3.48Å; T60-L268 HydrophobicContact CG2-CG 4.29Å; F201-L268 HydrophobicContact CD2-CB 4.15Å; F201-L268 HydrophobicContact CE1-CB 4.28Å; F201-L268 HydrophobicContact CE1-CD1 3.58Å; F201-L268 HydrophobicContact CE1-CG 4.39Å; F201-L268 HydrophobicContact CE2-CB 3.47Å; F201-L268 VanDerWaalsContact CE2-CB 3.47Å; F201-L268 HydrophobicContact CE2-CD1 4.23Å; F201-L268 HydrophobicContact CE2-CD2 4.2Å; F201-L268 HydrophobicContact CE2-CG 4.17Å; F201-L268 HydrophobicContact CZ-CB 3.57Å; F201-L268 HydrophobicContact CZ-CD1 3.41Å; F201-L268 VanDerWaalsContact CZ-CD1 3.41Å; F201-L268 HydrophobicContact CZ-CD2 3.75Å; F201-L268 HydrophobicContact CZ-CG 3.75Å; L204-L268 HydrophobicContact CD1-CD1 3.64Å; V264-L268 HydrophobicContact CG1-CD1 3.6Å; V264-L268 HydrophobicContact CG1-CG 4.3Å; V264-L268 VanDerWaalsContact O-CB 3.25Å; V264-L268 WeakPolarHBondContact O-CB 3.27Å; V264-L268 WeakPolarHBondContact O-CD1 3.33Å; V264-L268 WeakPolarHBondContact O-CG 3.13Å; V264-L268 PolarHBondContact O-N 3.31Å; I265-L268 PolarHBondContact O-N 3.17Å; L268-N271 PolarHBondContact O-N 3.33Å; L268-L272 WeakPolarHBondContact O-CB 3.5Å; L268-L272 PolarHBondContact O-N 2.87Å
269N78.1Confident72.6Confident56 Ų5648.6 Ų48.630%0.29926%0.256SS..Hα-helixtrans-62.4-45.7175.2-80-27.6000111.6I265 D266 N271 L272 S273I265-N269 WeakPolarHBondContact CG2-ND2 3.42Å; I265-N269 WeakPolarHBondContact O-CB 3.45Å; I265-N269 PolarHBondContact O-N 2.85Å; I265-N269 PolarHBondContact O-ND2 3.3Å; D266-N269 PolarHBondContact O-N 2.97Å; N269-N271 VanDerWaalsContact C-N 3.31Å; N269-N271 PolarHBondContact O-N 3.19Å; N269-L272 VanDerWaalsContact O-CB 3.3Å; N269-L272 WeakPolarHBondContact O-CB 3.33Å; N269-L272 PolarHBondContact O-N 3.5Å; N269-L272 VanDerWaalsContact O-N 3.11Å; N269-S273 WeakPolarHBondContact O-CB 3.19Å; N269-S273 PolarHBondContact O-N 2.95Å; N269-S273 PolarHBondContact O-OG 2.79Å
270K75.9Confident71.1Confident141 Ų14151.2 Ų51.261%0.61328%0.279SS*.Hα-helixtrans-56.1-45.6175-80.8177.1178.8173.10111.9D266 I267 S273 H274D266-K270 WeakPolarHBondContact O-CG 3.43Å; D266-K270 PolarHBondContact O-N 2.92Å; I267-K270 PolarHBondContact O-N 2.8Å; K270-S273 PolarHBondContact O-N 3.4Å; K270-H274 PolarHBondContact O-N 3.24Å
271N69.5Low69.2Low24 Ų2456 Ų5613%0.12831%0.305CS..Hα-helixtrans-65.8-39.4176.8-74.1-37.3000111.8I267 L268 N269 H274 L275I267-N271 PolarHBondContact O-N 3.14Å; I267-N271 PolarHBondContact O-ND2 3.11Å; L268-N271 PolarHBondContact O-N 3.33Å; N269-N271 VanDerWaalsContact C-N 3.31Å; N269-N271 PolarHBondContact O-N 3.19Å; N271-H274 PolarHBondContact O-N 2.82Å; N271-L275 VanDerWaalsContact O-CG 3.28Å; N271-L275 WeakPolarHBondContact O-CG 3.38Å; N271-L275 PolarHBondContact O-N 3.47Å
272L73Confident66.9Low7 Ų759.4 Ų59.44%0.03733%0.332CS..Hα-helixtrans-60.7-49174.5-127.692.8000112.3I56 L199 F201 L268 N269 H274 L275 Q276I56-L272 HydrophobicContact CG2-CD1 4.42Å; L199-L272 VanDerWaalsContact C-CD2 3.45Å; L199-L272 HydrophobicContact CB-CD2 3.68Å; L199-L272 HydrophobicContact CB-CG 4.25Å; L199-L272 HydrophobicContact CD2-CD1 3.51Å; L199-L272 HydrophobicContact CD2-CD2 3.87Å; L199-L272 HydrophobicContact CD2-CG 3.82Å; L199-L272 HydrophobicContact CG-CD2 4.05Å; L199-L272 HydrophobicContact CG-CG 4.5Å; L199-L272 WeakPolarHBondContact O-CD2 3.17Å; F201-L272 HydrophobicContact CD2-CD1 3.99Å; F201-L272 HydrophobicContact CE2-CD1 3.6Å; L268-L272 WeakPolarHBondContact O-CB 3.5Å; L268-L272 PolarHBondContact O-N 2.87Å; N269-L272 VanDerWaalsContact O-CB 3.3Å; N269-L272 WeakPolarHBondContact O-CB 3.33Å; N269-L272 PolarHBondContact O-N 3.5Å; N269-L272 VanDerWaalsContact O-N 3.11Å; L272-H274 VanDerWaalsContact C-N 3.3Å; L272-H274 PolarHBondContact O-N 2.73Å; L272-L275 WeakPolarHBondContact O-CB 3.21Å; L272-L275 PolarHBondContact O-N 3.29Å; L272-L275 VanDerWaalsContact O-N 3.12Å; L272-Q276 WeakPolarHBondContact O-CB 3.39Å; L272-Q276 WeakPolarHBondContact O-CG 3.25Å; L272-Q276 PolarHBondContact O-N 2.88Å
273S73.2Confident64.7Low69 Ų6967 Ų6748%0.48336%0.359SS..Hα-helixtrans-62.5-41.6-178.3-55.60000110.4N269 K270 L275 Q276 S277N269-S273 WeakPolarHBondContact O-CB 3.19Å; N269-S273 PolarHBondContact O-N 2.95Å; N269-S273 PolarHBondContact O-OG 2.79Å; K270-S273 PolarHBondContact O-N 3.4Å; S273-L275 VanDerWaalsContact C-N 3.31Å; S273-L275 PolarHBondContact O-N 2.81Å; S273-Q276 PolarHBondContact O-N 2.8Å; S273-S277 WeakPolarHBondContact O-CB 3.16Å; S273-S277 PolarHBondContact O-N 3.41Å; S273-S277 PolarHBondContact O-OG 2.8Å
274H67.7Low63Low112 Ų11268 Ų6852%0.51937%0.373SS..Hα-helixtrans-59.7-43.2173.7-175.3-63.2000111.4K270 N271 L272 S277K270-H274 PolarHBondContact O-N 3.24Å; N271-H274 PolarHBondContact O-N 2.82Å; L272-H274 VanDerWaalsContact C-N 3.3Å; L272-H274 PolarHBondContact O-N 2.73Å; H274-S277 PolarHBondContact O-OG 3.44Å
275L62.7Low61.2Low11 Ų1171.7 Ų71.76%0.05839%0.392CS..Hα-helixtrans-61.8-56.6175.2-66.3165.2000109.5L17 I56 K59 N271 L272 S273 S277 N278 F279L17-L275 HydrophobicContact CD2-CD2 3.49Å; L17-L275 VanDerWaalsContact CD2-CD2 3.49Å; I56-L275 HydrophobicContact CG1-CD1 3.85Å; I56-L275 HydrophobicContact CG2-CD1 4.46Å; K59-L275 HydrophobicContact CD-CD2 3.76Å; N271-L275 VanDerWaalsContact O-CG 3.28Å; N271-L275 WeakPolarHBondContact O-CG 3.38Å; N271-L275 PolarHBondContact O-N 3.47Å; L272-L275 WeakPolarHBondContact O-CB 3.21Å; L272-L275 PolarHBondContact O-N 3.29Å; L272-L275 VanDerWaalsContact O-N 3.12Å; S273-L275 VanDerWaalsContact C-N 3.31Å; S273-L275 PolarHBondContact O-N 2.81Å; L275-S277 VanDerWaalsContact C-N 3.3Å; L275-S277 PolarHBondContact O-N 2.97Å; L275-N278 WeakPolarHBondContact O-CB 3.21Å; L275-N278 PolarHBondContact O-N 3.31Å; L275-N278 VanDerWaalsContact O-N 3.09Å; L275-F279 HydrophobicContact CB-CE2 4.43Å; L275-F279 WeakPolarHBondContact O-CD2 3.4Å; L275-F279 WeakPolarHBondContact O-CE2 3.36Å
276Q67.5Low59.4Low61 Ų6171 Ų7129%0.28540%0.396SS..Hα-helixtrans-59.3-33.4-176.4-74.1177-400115.1L199 L272 S273 N278 F279L199-Q276 PolarHBondContact O-NE2 3.31Å; L272-Q276 WeakPolarHBondContact O-CB 3.39Å; L272-Q276 WeakPolarHBondContact O-CG 3.25Å; L272-Q276 PolarHBondContact O-N 2.88Å; S273-Q276 PolarHBondContact O-N 2.8Å; Q276-N278 PolarHBondContact O-N 3.21Å; Q276-N278 VanDerWaalsContact O-N 3.14Å; Q276-F279 WeakPolarHBondContact O-CA 3.27Å; Q276-F279 PolarHBondContact O-N 2.99Å
277S64.5Low57.8Low79 Ų7967.8 Ų67.855%0.55238%0.38SS*.Hα-helixtrans-60.9-22.6178.665.20000112.8S273 H274 L275 F279S273-S277 WeakPolarHBondContact O-CB 3.16Å; S273-S277 PolarHBondContact O-N 3.41Å; S273-S277 PolarHBondContact O-OG 2.8Å; H274-S277 PolarHBondContact O-OG 3.44Å; L275-S277 VanDerWaalsContact C-N 3.3Å; L275-S277 PolarHBondContact O-N 2.97Å; S277-F279 VanDerWaalsContact C-N 3.3Å
278N54.3Low56.5Low80 Ų8074.5 Ų74.543%0.42842%0.416SS..THydrogen-bonded Turntrans-82.8-3.3174-66.1-0.1000113E20 L275 Q276E20-N278 PolarHBondContact OE2-ND2 2.89Å; E20-N278 VanDerWaalsContact OE2-ND2 3.12Å; L275-N278 WeakPolarHBondContact O-CB 3.21Å; L275-N278 PolarHBondContact O-N 3.31Å; L275-N278 VanDerWaalsContact O-N 3.09Å; Q276-N278 PolarHBondContact O-N 3.21Å; Q276-N278 VanDerWaalsContact O-N 3.14Å
279F52.3Low54.9Low21 Ų2178.5 Ų78.59%0.09244%0.441CS..  trans-124.38.1-163.3-66-66.5000117.1F13 L16 L17 L275 Q276 S277 L281F13-F279 HydrophobicContact CD2-CB 4.5Å; F13-F279 AromaticContact CD2-CD1 3.4Å; F13-F279 HydrophobicContact CD2-CD1 3.4Å; F13-F279 VanDerWaalsContact CD2-CD1 3.4Å; F13-F279 HydrophobicContact CD2-CD2 4.11Å; F13-F279 AromaticContact CD2-CE1 3.49Å; F13-F279 HydrophobicContact CD2-CE1 3.49Å; F13-F279 VanDerWaalsContact CD2-CE1 3.49Å; F13-F279 HydrophobicContact CD2-CE2 4.25Å; F13-F279 AromaticContact CD2-CG 3.77Å; F13-F279 HydrophobicContact CD2-CG 3.77Å; F13-F279 AromaticContact CD2-CZ 3.96Å; F13-F279 HydrophobicContact CD2-CZ 3.96Å; F13-F279 HydrophobicContact CE1-CE2 4.36Å; F13-F279 HydrophobicContact CE1-CZ 4.34Å; F13-F279 HydrophobicContact CE2-CB 4Å; F13-F279 AromaticContact CE2-CD1 3.42Å; F13-F279 HydrophobicContact CE2-CD1 3.42Å; F13-F279 VanDerWaalsContact CE2-CD1 3.42Å; F13-F279 AromaticContact CE2-CD2 3.24Å; F13-F279 HydrophobicContact CE2-CD2 3.24Å; F13-F279 AromaticContact CE2-CE1 3.6Å; F13-F279 HydrophobicContact CE2-CE1 3.6Å; F13-F279 AromaticContact CE2-CE2 3.49Å; F13-F279 HydrophobicContact CE2-CE2 3.49Å; F13-F279 VanDerWaalsContact CE2-CE2 3.49Å; F13-F279 AromaticContact CE2-CG 3.27Å; F13-F279 HydrophobicContact CE2-CG 3.27Å; F13-F279 AromaticContact CE2-CZ 3.67Å; F13-F279 HydrophobicContact CE2-CZ 3.67Å; F13-F279 HydrophobicContact CG-CD1 4.4Å; F13-F279 HydrophobicContact CG-CE1 4.09Å; F13-F279 HydrophobicContact CG-CZ 4.43Å; F13-F279 HydrophobicContact CZ-CD1 4.41Å; F13-F279 AromaticContact CZ-CD2 3.68Å; F13-F279 HydrophobicContact CZ-CD2 3.68Å; F13-F279 HydrophobicContact CZ-CE1 4.25Å; F13-F279 AromaticContact CZ-CE2 3.55Å; F13-F279 HydrophobicContact CZ-CE2 3.55Å; F13-F279 HydrophobicContact CZ-CG 4.17Å; F13-F279 AromaticContact CZ-CZ 3.87Å; F13-F279 HydrophobicContact CZ-CZ 3.87Å; L16-F279 HydrophobicContact CB-CE1 3.93Å; L16-F279 HydrophobicContact CB-CZ 4.48Å; L16-F279 HydrophobicContact CD1-CE1 4.32Å; L17-F279 HydrophobicContact CD2-CE2 4.28Å; L17-F279 HydrophobicContact CD2-CZ 4.07Å; L17-F279 HydrophobicContact CG-CZ 3.95Å; L275-F279 HydrophobicContact CB-CE2 4.43Å; L275-F279 WeakPolarHBondContact O-CD2 3.4Å; L275-F279 WeakPolarHBondContact O-CE2 3.36Å; Q276-F279 WeakPolarHBondContact O-CA 3.27Å; Q276-F279 PolarHBondContact O-N 2.99Å; S277-F279 VanDerWaalsContact C-N 3.3Å; F279-L281 VanDerWaalsContact C-N 3.33Å; F279-L281 PolarHBondContact O-N 2.99Å
280T48Very low53.8Low129 Ų12979.7 Ų79.779%0.79145%0.448SS*.  trans-73.285.8174.141.10000112.2S282T280-S282 VanDerWaalsContact C-N 3.33Å; T280-S282 PolarHBondContact O-N 3.48Å
281L40.2Very low52.6Low107 Ų10776.4 Ų76.456%0.5644%0.439SS*.  trans-77.881.2167.5-84.8160000110.7F279F279-L281 VanDerWaalsContact C-N 3.33Å; F279-L281 PolarHBondContact O-N 2.99Å
282S37.2Very low51.7Low101 Ų10179.3 Ų79.371%0.70646%0.456SS*.  trans59.8154.2160.880.10000119.4T280 G284T280-S282 VanDerWaalsContact C-N 3.33Å; T280-S282 PolarHBondContact O-N 3.48Å; S282-G284 PolarHBondContact O-N 3.08Å
283K36.5Very low50.4Low219 Ų21983.6 Ų83.695%0.95248%0.481SS*.  trans-65.8113.6-174.6-68.5176.9176.9177.40111.3
284G38Very low49Very low43 Ų4384.5 Ų84.544%0.44348%0.481SS..  trans-149.3164.3165.300000110.4N194 S282 G286N194-G284 VanDerWaalsContact ND2-C 3.35Å; N194-G284 VanDerWaalsContact ND2-CA 3.27Å; N194-G284 WeakPolarHBondContact ND2-CA 3.46Å; N194-G284 PolarHBondContact ND2-N 3.05Å; N194-G284 PolarHBondContact ND2-O 3.44Å; S282-G284 PolarHBondContact O-N 3.08Å; G284-G286 PolarHBondContact O-N 3.21Å; G284-G286 VanDerWaalsContact O-N 3.15Å
285L39.9Very low47.7Very low90 Ų9082.7 Ų82.747%0.47148%0.478SS..  trans-54.1117.6175.7-83.1146.8000109.5I125I125-L285 HydrophobicContact CD1-CD2 3.98Å
286G43.4Very low46.7Very low29 Ų2987.8 Ų87.830%0.29951%0.509SS..  trans-128.5154.5179.800000111.4N192 G284 N288N192-G286 VanDerWaalsContact CG-CA 3.48Å; N192-G286 VanDerWaalsContact ND2-CA 3.33Å; N192-G286 WeakPolarHBondContact ND2-CA 3.44Å; G284-G286 PolarHBondContact O-N 3.21Å; G284-G286 VanDerWaalsContact O-N 3.15Å; G286-N288 PolarHBondContact O-N 3.01Å
287C45Very low45.1Very low19 Ų1989.8 Ų89.813%0.12853%0.526CS..  trans-66.7108.5167.1-74.50000108.8C137 N192 V289C137-C287 HydrophobicContact CB-CB 3.87Å; C137-C287 WeakPolarHBondContact CB-SG 3.34Å; C137-C287 WeakPolarHBondContact SG-CB 3.41Å; C137-C287 CovalentContact SG-SG 2.05Å; C137-C287 PolarHBondContact SG-SG 2.64Å; N192-C287 PolarHBondContact OD1-N 2.91Å; C287-V289 HydrophobicContact CB-CG2 4.42Å
288N44.5Very low43.4Very low156 Ų15690.8 Ų90.883%0.83452%0.523SS*.  trans-94.1107161.9-78.4-10.8000106.9G286G286-N288 PolarHBondContact O-N 3.01Å
289V42.2Very low42.5Very low95 Ų9591.7 Ų91.758%0.57653%0.532SS*.  trans-125.30173.1-167.30000109.6K200 C287K200-V289 VanDerWaalsContact NZ-C 3.31Å; K200-V289 PolarHBondContact NZ-O 2.93Å; K200-V289 PolarHBondContact NZ-OXT 3.43Å; K200-V289 VanDerWaalsContact NZ-OXT 3.13Å; C287-V289 HydrophobicContact CB-CG2 4.42Å

Retrieved 289 of 289 residues in 113.5 ms (Link to these results)

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