A0A060VYT5_ONCMY Loading...

Visinin-like protein 1

May be involved in the calcium-dependent regulation of rhodopsin phosphorylation. Binds three calcium ions. Regulates (in vitro) the inhibition of rhodopsin phosphorylation in a calcium-dependent manner.

AlphaFold DB (A0A4W5M821), UniProt , Accession A0A060VYT5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529828, Length 191 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
1M33.5Very low56.6Low249 Ų249122.6 Ų122.6100%1.22769%0.688SS**  0125.40-69.4-179.2-173.200107.1
2G35.9Very low58.9Low72 Ų72117.2 Ų117.274%0.74266%0.659SS**  trans-69.1134.2-154.800000115.4K4G2-K4 PolarHBondContact O-N 3.04Å
3A37Very low60.9Low97 Ų97108.7 Ų108.780%0.80261%0.611SS**  trans-58.8103.216400000109N5A3-N5 PolarHBondContact O-N 3.12Å; A3-N5 VanDerWaalsContact O-N 3.15Å
4K42.4Very low62.7Low204 Ų204109 Ų10989%0.88761%0.605SS**  trans-73.5105.2174.3-74.6-177.2175.3-178.40108.3G2G2-K4 PolarHBondContact O-N 3.04Å
5N42.4Very low64.3Low126 Ų126105.8 Ų105.867%0.67459%0.587SS**  trans4877.2154.6-100.96.2000117.9A3 K7A3-N5 PolarHBondContact O-N 3.12Å; A3-N5 VanDerWaalsContact O-N 3.15Å; N5-K7 PolarHBondContact O-N 3.15Å
6S53.7Low65.8Low87 Ų8799.2 Ų99.261%0.60855%0.55SS**  trans-76.532.7165.5-46.10000113.6
7K63.1Low67.1Low168 Ų16896.9 Ų96.973%0.7354%0.539SS*.SBendtrans-130.4129.3-178.9-69.6-175.7179.9179.50109.4N5 T9N5-K7 PolarHBondContact O-N 3.15Å; K7-T9 PolarHBondContact O-N 2.77Å
8L70.9Confident68.1Low36 Ų36100.8 Ų100.819%0.18855%0.55CS..  trans-52.4126.2163.8-68.5164.7000108.1V12 M13 L16 Y31 F82L8-V12 HydrophobicContact CD2-CG1 3.88Å; L8-M13 HydrophobicContact CB-SD 3.96Å; L8-M13 HydrophobicContact CD1-CE 4.42Å; L8-M13 HydrophobicContact CD1-SD 3.56Å; L8-M13 VanDerWaalsContact CD1-SD 3.56Å; L8-M13 HydrophobicContact CG-SD 4.39Å; L8-L16 HydrophobicContact CD1-CD1 4.4Å; L8-L16 HydrophobicContact CD2-CD1 4.15Å; L8-Y31 HydrophobicContact CD1-CD1 4.01Å; L8-Y31 HydrophobicContact CD1-CD2 3.96Å; L8-Y31 HydrophobicContact CD1-CG 3.65Å; L8-Y31 HydrophobicContact CD2-CD2 3.94Å; L8-Y31 HydrophobicContact CD2-CE2 3.8Å; L8-Y31 HydrophobicContact CD2-CG 4.39Å; L8-Y31 HydrophobicContact CG-CD1 3.87Å; L8-Y31 HydrophobicContact CG-CD2 3.89Å; L8-Y31 HydrophobicContact CG-CE1 3.94Å; L8-Y31 HydrophobicContact CG-CE2 3.98Å; L8-Y31 HydrophobicContact CG-CG 3.83Å; L8-F82 HydrophobicContact CD1-CD1 4.33Å; L8-F82 HydrophobicContact CD1-CE1 3.79Å; L8-F82 HydrophobicContact CD2-CD1 3.91Å; L8-F82 HydrophobicContact CD2-CE1 4.2Å
9T80.7Confident68.9Low56 Ų5698.6 Ų98.634%0.34454%0.542SS..  trans-64.9153174.958.40000109K7 E11 V12 M13K7-T9 PolarHBondContact O-N 2.77Å; T9-E11 PolarHBondContact O-N 3.01Å; T9-V12 PolarHBondContact O-N 3.35Å; T9-V12 VanDerWaalsContact O-N 3.16Å; T9-V12 WeakPolarHBondContact OG1-CB 3.38Å; T9-V12 WeakPolarHBondContact OG1-CG2 3.35Å; T9-V12 PolarHBondContact OG1-N 3.31Å; T9-M13 WeakPolarHBondContact O-CB 3.43Å; T9-M13 PolarHBondContact O-N 2.95Å
10P80.5Confident69.8Low98 Ų9894 Ų9464%0.63652%0.517SS*.Hα-helixtrans-53.7-40.9177.7-24.133000112.2M13 E14P10-M13 WeakPolarHBondContact O-CB 3.4Å; P10-M13 PolarHBondContact O-N 3.44Å; P10-E14 WeakPolarHBondContact O-CG 3.35Å; P10-E14 PolarHBondContact O-N 3.05Å
11E82.9Confident70.5Confident156 Ų15695.4 Ų95.473%0.72952%0.52SS*.Hα-helixtrans-62.5-44.9178.6-62.8174.1149.900112.6T9 M13 E14 D15T9-E11 PolarHBondContact O-N 3.01Å; E11-M13 VanDerWaalsContact C-N 3.3Å; E11-M13 PolarHBondContact O-N 2.98Å; E11-E14 PolarHBondContact O-N 2.94Å; E11-D15 PolarHBondContact O-N 2.74Å
12V83.8Confident73Confident57 Ų5784.1 Ų84.135%0.34546%0.464SS..Hα-helixtrans-66.8-37.1176172.40000110.2L8 T9 D15 L16L8-V12 HydrophobicContact CD2-CG1 3.88Å; T9-V12 PolarHBondContact O-N 3.35Å; T9-V12 VanDerWaalsContact O-N 3.16Å; T9-V12 WeakPolarHBondContact OG1-CB 3.38Å; T9-V12 WeakPolarHBondContact OG1-CG2 3.35Å; T9-V12 PolarHBondContact OG1-N 3.31Å; V12-D15 PolarHBondContact O-N 3.42Å; V12-L16 HydrophobicContact CG1-CD1 3.92Å; V12-L16 HydrophobicContact CG1-CG 4.21Å; V12-L16 WeakPolarHBondContact O-CB 3.33Å; V12-L16 WeakPolarHBondContact O-CG 3.41Å; V12-L16 PolarHBondContact O-N 2.93Å
13M85Confident75.5Confident7 Ų784.6 Ų84.63%0.03445%0.45CS..Hα-helixtrans-62.6-45.8177.2-156.271.4-174.700111.7L8 T9 P10 E11 L16 V17 E24 L27 K28L8-M13 HydrophobicContact CB-SD 3.96Å; L8-M13 HydrophobicContact CD1-CE 4.42Å; L8-M13 HydrophobicContact CD1-SD 3.56Å; L8-M13 VanDerWaalsContact CD1-SD 3.56Å; L8-M13 HydrophobicContact CG-SD 4.39Å; T9-M13 WeakPolarHBondContact O-CB 3.43Å; T9-M13 PolarHBondContact O-N 2.95Å; P10-M13 WeakPolarHBondContact O-CB 3.4Å; P10-M13 PolarHBondContact O-N 3.44Å; E11-M13 VanDerWaalsContact C-N 3.3Å; E11-M13 PolarHBondContact O-N 2.98Å; M13-L16 PolarHBondContact O-N 3.39Å; M13-V17 VanDerWaalsContact O-CG2 3.3Å; M13-V17 WeakPolarHBondContact O-CG2 3.46Å; M13-V17 PolarHBondContact O-N 3.35Å; M13-E24 HydrophobicContact CE-CB 4.11Å; M13-E24 HydrophobicContact CE-CG 3.35Å; M13-E24 WeakPolarHBondContact CE-O 3.49Å; M13-E24 HydrophobicContact CG-CG 3.76Å; M13-E24 HydrophobicContact SD-CG 4.39Å; M13-L27 HydrophobicContact CE-CB 3.31Å; M13-L27 HydrophobicContact CE-CD1 3.99Å; M13-L27 HydrophobicContact CE-CG 4.3Å; M13-L27 HydrophobicContact SD-CB 4.38Å; M13-K28 HydrophobicContact CE-CD 4.43Å; M13-K28 HydrophobicContact CE-CG 3.74Å
14E85.8Confident78Confident113 Ų11384.8 Ų84.853%0.52843%0.434SS..Hα-helixtrans-64.2-39.8176.3-73.5-17679.300112.1P10 E11 K18P10-E14 WeakPolarHBondContact O-CG 3.35Å; P10-E14 PolarHBondContact O-N 3.05Å; E11-E14 PolarHBondContact O-N 2.94Å; E14-K18 VanDerWaalsContact O-CG 3.3Å; E14-K18 WeakPolarHBondContact O-CG 3.45Å; E14-K18 PolarHBondContact O-N 2.94Å; E14-K18 VanDerWaalsContact O-N 3.1Å
15D87.3Confident80.1Confident61 Ų6180.8 Ų80.833%0.32642%0.418SS..Hα-helixtrans-61.1-45.6173.7-176.2-110.6000111.7E11 V12 K18 S19 R83E11-D15 PolarHBondContact O-N 2.74Å; V12-D15 PolarHBondContact O-N 3.42Å; D15-K18 PolarHBondContact O-N 2.77Å; D15-S19 VanDerWaalsContact O-CB 3.26Å; D15-S19 WeakPolarHBondContact O-CB 3.31Å; D15-S19 PolarHBondContact O-N 3.4Å; D15-S19 PolarHBondContact O-OG 2.85Å; D15-R83 IonicContact OD1-CZ 3.73Å; D15-R83 IonicContact OD1-NE 3.79Å; D15-R83 PolarHBondContact OD1-NE 2.94Å; D15-R83 IonicContact OD1-NH2 3.89Å; D15-R83 PolarHBondContact OD1-NH2 3.15Å; D15-R83 IonicContact OD2-NH2 2.63Å
16L87.2Confident82.3Confident0 Ų076.9 Ų76.90%040%0.396CS..Hα-helixtrans-66.6-40.5179.9-71.4176000112.2L8 V12 M13 K18 S19 T20 L27 F82 R83 I86L8-L16 HydrophobicContact CD1-CD1 4.4Å; L8-L16 HydrophobicContact CD2-CD1 4.15Å; V12-L16 HydrophobicContact CG1-CD1 3.92Å; V12-L16 HydrophobicContact CG1-CG 4.21Å; V12-L16 WeakPolarHBondContact O-CB 3.33Å; V12-L16 WeakPolarHBondContact O-CG 3.41Å; V12-L16 PolarHBondContact O-N 2.93Å; M13-L16 PolarHBondContact O-N 3.39Å; L16-K18 PolarHBondContact O-N 3.28Å; L16-S19 PolarHBondContact O-N 3.03Å; L16-T20 VanDerWaalsContact O-CB 3.31Å; L16-T20 WeakPolarHBondContact O-CB 3.4Å; L16-T20 WeakPolarHBondContact O-CG2 3.41Å; L16-T20 PolarHBondContact O-N 2.97Å; L16-T20 PolarHBondContact O-OG1 3.18Å; L16-L27 HydrophobicContact CB-CD1 3.79Å; L16-L27 HydrophobicContact CB-CD2 4.46Å; L16-F82 HydrophobicContact CD1-CD1 4.11Å; L16-F82 HydrophobicContact CD1-CE1 3.86Å; L16-R83 HydrophobicContact CD2-CB 3.96Å; L16-R83 HydrophobicContact CD2-CG 3.68Å; L16-I86 HydrophobicContact CD2-CG2 3.7Å
17V87.9Confident83.9Confident61 Ų6172.7 Ų72.737%0.3737%0.367SS..Hα-helixtrans-64.6-31.8174.9172.60000111.3M13 E24 L27M13-V17 VanDerWaalsContact O-CG2 3.3Å; M13-V17 WeakPolarHBondContact O-CG2 3.46Å; M13-V17 PolarHBondContact O-N 3.35Å; V17-E24 HydrophobicContact CG2-CB 4.49Å; V17-L27 HydrophobicContact CB-CD1 4.49Å; V17-L27 HydrophobicContact CG2-CD1 3.54Å
18K86.2Confident85.1Confident166 Ų16669.7 Ų69.772%0.72235%0.354SS*.Hα-helixtrans-78.6-31.5175.5-72.4172.2-174.21700113.2E14 D15 L16E14-K18 VanDerWaalsContact O-CG 3.3Å; E14-K18 WeakPolarHBondContact O-CG 3.45Å; E14-K18 PolarHBondContact O-N 2.94Å; E14-K18 VanDerWaalsContact O-N 3.1Å; D15-K18 PolarHBondContact O-N 2.77Å; L16-K18 PolarHBondContact O-N 3.28Å
19S82.6Confident85.9Confident59 Ų5973.6 Ų73.641%0.41337%0.371SS..Hα-helixtrans-92.1-10.7-175.1-56.60000113.2D15 L16D15-S19 VanDerWaalsContact O-CB 3.26Å; D15-S19 WeakPolarHBondContact O-CB 3.31Å; D15-S19 PolarHBondContact O-N 3.4Å; D15-S19 PolarHBondContact O-OG 2.85Å; L16-S19 PolarHBondContact O-N 3.03Å
20T87Confident86.2Confident7 Ų776 Ų764%0.04337%0.374CS..SBendtrans-132.9159.9-177.872.60000111.8L16 F22 I86 S90L16-T20 VanDerWaalsContact O-CB 3.31Å; L16-T20 WeakPolarHBondContact O-CB 3.4Å; L16-T20 WeakPolarHBondContact O-CG2 3.41Å; L16-T20 PolarHBondContact O-N 2.97Å; L16-T20 PolarHBondContact O-OG1 3.18Å; T20-F22 PolarHBondContact O-N 2.6Å; T20-F22 PolarHBondContact OG1-N 2.85Å; T20-I86 HydrophobicContact CG2-CG2 4.25Å; T20-S90 WeakPolarHBondContact CA-OG 3.48Å
21E84.6Confident86.6Confident124 Ų12473.3 Ų73.358%0.57935%0.352SS*.SBendtrans-8621.4175.9-62-63.7123.100112S90 R94E21-S90 PolarHBondContact N-OG 2.97Å; E21-R94 HydrophobicContact CB-CB 3.63Å; E21-R94 HydrophobicContact CB-CG 4.33Å; E21-R94 HydrophobicContact CG-CB 3.98Å; E21-R94 WeakPolarHBondContact O-CD 3.45Å; E21-R94 PolarHBondContact O-NH1 3.19Å
22F86.6Confident86.7Confident11 Ų1173.7 Ų73.75%0.04835%0.351CS..  trans-106.2141179.7-68.1-69.8000111.3T20 E26 L27 I86 L89T20-F22 PolarHBondContact O-N 2.6Å; T20-F22 PolarHBondContact OG1-N 2.85Å; F22-E26 HydrophobicContact CB-CB 4.29Å; F22-E26 HydrophobicContact CD1-CB 4.11Å; F22-L27 HydrophobicContact CB-CD2 3.73Å; F22-L27 HydrophobicContact CB-CG 3.82Å; F22-L27 HydrophobicContact CD2-CD2 4.44Å; F22-L27 HydrophobicContact CG-CD2 4.42Å; F22-I86 HydrophobicContact CD2-CD1 3.8Å; F22-I86 HydrophobicContact CD2-CG1 3.99Å; F22-I86 HydrophobicContact CE2-CD1 3.74Å; F22-I86 HydrophobicContact CE2-CG1 4.29Å; F22-I86 HydrophobicContact CZ-CD1 4.46Å; F22-L89 HydrophobicContact CE2-CD2 4.41Å; F22-L89 HydrophobicContact CE2-CG 4.33Å; F22-L89 HydrophobicContact CZ-CD2 4.14Å; F22-L89 HydrophobicContact CZ-CG 4.16Å
23N88.6Confident86.8Confident82 Ų8272.3 Ų72.344%0.43935%0.348SS..  trans-82.1168173.667.358.4000112H25 E26 L27N23-H25 PolarHBondContact O-N 2.69Å; N23-H25 VanDerWaalsContact O-N 3.16Å; N23-H25 WeakPolarHBondContact OD1-CB 3.36Å; N23-H25 PolarHBondContact OD1-N 3.47Å; N23-E26 PolarHBondContact N-OE2 3.04Å; N23-E26 VanDerWaalsContact N-OE2 3.14Å; N23-E26 PolarHBondContact ND2-OE2 3.33Å; N23-E26 VanDerWaalsContact ND2-OE2 3.1Å; N23-E26 PolarHBondContact O-N 3.27Å; N23-E26 VanDerWaalsContact O-N 3.17Å; N23-E26 WeakPolarHBondContact OD1-CG 3.36Å; N23-E26 PolarHBondContact OD1-N 3.36Å; N23-L27 WeakPolarHBondContact O-CG 3.35Å; N23-L27 PolarHBondContact O-N 2.88Å
24E87.9Confident86.8Confident101 Ų10172.5 Ų72.547%0.47235%0.349SS..Hα-helixtrans-56-37.3-176.4-166.3-17288.600113.3M13 V17 K28M13-E24 HydrophobicContact CE-CB 4.11Å; M13-E24 HydrophobicContact CE-CG 3.35Å; M13-E24 WeakPolarHBondContact CE-O 3.49Å; M13-E24 HydrophobicContact CG-CG 3.76Å; M13-E24 HydrophobicContact SD-CG 4.39Å; V17-E24 HydrophobicContact CG2-CB 4.49Å; E24-K28 HydrophobicContact CG-CD 4.5Å; E24-K28 WeakPolarHBondContact O-CG 3.34Å; E24-K28 PolarHBondContact O-N 2.8Å; E24-K28 VanDerWaalsContact O-N 3.11Å; E24-K28 IonicContact OE1-NZ 3.79Å; E24-K28 PolarHBondContact OE1-NZ 2.64Å
25H87.6Confident86.8Confident120 Ų12069.1 Ų69.156%0.55633%0.334SS*.Hα-helixtrans-70.5-43.8-179-179.6-92.8000111.7N23 K28 Q29N23-H25 PolarHBondContact O-N 2.69Å; N23-H25 VanDerWaalsContact O-N 3.16Å; N23-H25 WeakPolarHBondContact OD1-CB 3.36Å; N23-H25 PolarHBondContact OD1-N 3.47Å; H25-K28 PolarHBondContact O-N 2.87Å; H25-Q29 PolarHBondContact CE1-NE2 2.89Å; H25-Q29 WeakPolarHBondContact O-CG 3.45Å; H25-Q29 PolarHBondContact O-N 3.35Å; H25-Q29 VanDerWaalsContact O-N 3.13Å
26E88Confident86.6Confident44 Ų4474.4 Ų74.421%0.20635%0.354CS..Hα-helixtrans-61.6-46.2175.9-68.3178.6124.700111.4F22 N23 K28 Q29 W30 R94F22-E26 HydrophobicContact CB-CB 4.29Å; F22-E26 HydrophobicContact CD1-CB 4.11Å; N23-E26 PolarHBondContact N-OE2 3.04Å; N23-E26 VanDerWaalsContact N-OE2 3.14Å; N23-E26 PolarHBondContact ND2-OE2 3.33Å; N23-E26 VanDerWaalsContact ND2-OE2 3.1Å; N23-E26 PolarHBondContact O-N 3.27Å; N23-E26 VanDerWaalsContact O-N 3.17Å; N23-E26 WeakPolarHBondContact OD1-CG 3.36Å; N23-E26 PolarHBondContact OD1-N 3.36Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.37Å; E26-Q29 WeakPolarHBondContact O-CB 3.44Å; E26-Q29 PolarHBondContact O-N 2.92Å; E26-Q29 VanDerWaalsContact O-N 3.09Å; E26-W30 PolarHBondContact O-N 3.08Å; E26-R94 IonicContact OE1-CZ 3.28Å; E26-R94 IonicContact OE1-NH1 2.93Å; E26-R94 PolarHBondContact OE1-NH1 3.45Å; E26-R94 IonicContact OE1-NH2 3.93Å; E26-R94 PolarHBondContact OE1-NH2 3.34Å; E26-R94 IonicContact OE2-CZ 3.38Å; E26-R94 IonicContact OE2-NH1 3.5Å; E26-R94 PolarHBondContact OE2-NH1 2.92Å; E26-R94 IonicContact OE2-NH2 2.93Å
27L88.4Confident86.2Confident0 Ų079.7 Ų79.70%038%0.382CS..Hα-helixtrans-59.1-40.9177.6-71.9175.4000111.9M13 L16 V17 F22 N23 Q29 W30 Y31 I86M13-L27 HydrophobicContact CE-CB 3.31Å; M13-L27 HydrophobicContact CE-CD1 3.99Å; M13-L27 HydrophobicContact CE-CG 4.3Å; M13-L27 HydrophobicContact SD-CB 4.38Å; L16-L27 HydrophobicContact CB-CD1 3.79Å; L16-L27 HydrophobicContact CB-CD2 4.46Å; V17-L27 HydrophobicContact CB-CD1 4.49Å; V17-L27 HydrophobicContact CG2-CD1 3.54Å; F22-L27 HydrophobicContact CB-CD2 3.73Å; F22-L27 HydrophobicContact CB-CG 3.82Å; F22-L27 HydrophobicContact CD2-CD2 4.44Å; F22-L27 HydrophobicContact CG-CD2 4.42Å; N23-L27 WeakPolarHBondContact O-CG 3.35Å; N23-L27 PolarHBondContact O-N 2.88Å; L27-Q29 VanDerWaalsContact C-N 3.34Å; L27-Q29 PolarHBondContact O-N 3.37Å; L27-W30 PolarHBondContact O-N 2.92Å; L27-Y31 VanDerWaalsContact O-CB 3.26Å; L27-Y31 WeakPolarHBondContact O-CB 3.45Å; L27-Y31 PolarHBondContact O-N 3.33Å; L27-I86 HydrophobicContact CD2-CD1 4.18Å; L27-I86 HydrophobicContact CD2-CG1 3.39Å; L27-I86 HydrophobicContact CD2-CG2 4.39Å
28K87.1Confident85.8Confident105 Ų10577 Ų7746%0.45737%0.366SS..Hα-helixtrans-63.4-38.8174.7-77.8169.3-178168.10112.4M13 E24 H25 E26 K32M13-K28 HydrophobicContact CE-CD 4.43Å; M13-K28 HydrophobicContact CE-CG 3.74Å; E24-K28 HydrophobicContact CG-CD 4.5Å; E24-K28 WeakPolarHBondContact O-CG 3.34Å; E24-K28 PolarHBondContact O-N 2.8Å; E24-K28 VanDerWaalsContact O-N 3.11Å; E24-K28 IonicContact OE1-NZ 3.79Å; E24-K28 PolarHBondContact OE1-NZ 2.64Å; H25-K28 PolarHBondContact O-N 2.87Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.37Å; K28-K32 WeakPolarHBondContact O-CB 3.19Å; K28-K32 PolarHBondContact O-N 3.09Å
29Q88.1Confident85.6Confident118 Ų11874.5 Ų74.555%0.55137%0.366SS*.Hα-helixtrans-67.7-47.2177.6-71.9-173.6-24.900111.4H25 E26 L27 Y31 K32 G33H25-Q29 PolarHBondContact CE1-NE2 2.89Å; H25-Q29 WeakPolarHBondContact O-CG 3.45Å; H25-Q29 PolarHBondContact O-N 3.35Å; H25-Q29 VanDerWaalsContact O-N 3.13Å; E26-Q29 WeakPolarHBondContact O-CB 3.44Å; E26-Q29 PolarHBondContact O-N 2.92Å; E26-Q29 VanDerWaalsContact O-N 3.09Å; L27-Q29 VanDerWaalsContact C-N 3.34Å; L27-Q29 PolarHBondContact O-N 3.37Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Q29-Y31 PolarHBondContact O-N 3.28Å; Q29-K32 PolarHBondContact O-N 3.26Å; Q29-G33 PolarHBondContact O-N 3.42Å
30W87.9Confident85.6Confident105 Ų10575.5 Ų75.540%0.39837%0.374SS..Hα-helixtrans-59.3-44.7174.7-82.7112.8000111.9E26 L27 K32 G33 F34 F82 F85 I86 L89E26-W30 PolarHBondContact O-N 3.08Å; L27-W30 PolarHBondContact O-N 2.92Å; W30-K32 VanDerWaalsContact C-N 3.32Å; W30-K32 PolarHBondContact O-N 3.12Å; W30-G33 PolarHBondContact O-N 2.91Å; W30-F34 WeakPolarHBondContact O-CB 3.47Å; W30-F34 PolarHBondContact O-N 3.29Å; W30-F82 HydrophobicContact CB-CE2 4.04Å; W30-F82 HydrophobicContact CB-CZ 4.12Å; W30-F85 AromaticContact CE3-CE1 3.86Å; W30-F85 HydrophobicContact CE3-CE1 3.86Å; W30-F85 HydrophobicContact CE3-CZ 4.27Å; W30-F85 HydrophobicContact CZ3-CE1 4.16Å; W30-F85 HydrophobicContact CZ3-CZ 4.11Å; W30-I86 HydrophobicContact CB-CD1 3.92Å; W30-I86 HydrophobicContact CD2-CD1 4.39Å; W30-I86 HydrophobicContact CG-CD1 3.79Å; W30-L89 HydrophobicContact CD2-CD2 3.96Å; W30-L89 HydrophobicContact CE3-CD2 4.16Å; W30-L89 HydrophobicContact CH2-CD2 3.72Å; W30-L89 HydrophobicContact CZ2-CD2 3.5Å; W30-L89 HydrophobicContact CZ3-CD2 4.05Å
31Y87.1Confident85.4Confident43 Ų4376.2 Ų76.217%0.16938%0.383CS..Hα-helixtrans-60.9-42.1177.9-172.2-116.1000112.4L8 L27 Q29 F34 L35 F82L8-Y31 HydrophobicContact CD1-CD1 4.01Å; L8-Y31 HydrophobicContact CD1-CD2 3.96Å; L8-Y31 HydrophobicContact CD1-CG 3.65Å; L8-Y31 HydrophobicContact CD2-CD2 3.94Å; L8-Y31 HydrophobicContact CD2-CE2 3.8Å; L8-Y31 HydrophobicContact CD2-CG 4.39Å; L8-Y31 HydrophobicContact CG-CD1 3.87Å; L8-Y31 HydrophobicContact CG-CD2 3.89Å; L8-Y31 HydrophobicContact CG-CE1 3.94Å; L8-Y31 HydrophobicContact CG-CE2 3.98Å; L8-Y31 HydrophobicContact CG-CG 3.83Å; L27-Y31 VanDerWaalsContact O-CB 3.26Å; L27-Y31 WeakPolarHBondContact O-CB 3.45Å; L27-Y31 PolarHBondContact O-N 3.33Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Q29-Y31 PolarHBondContact O-N 3.28Å; Y31-F34 PolarHBondContact O-N 3.34Å; Y31-L35 HydrophobicContact CD1-CD1 3.97Å; Y31-L35 HydrophobicContact CE1-CD1 3.42Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.42Å; Y31-L35 HydrophobicContact CE1-CG 4.24Å; Y31-L35 HydrophobicContact CE2-CD1 4.28Å; Y31-L35 HydrophobicContact CE2-CG 4.27Å; Y31-L35 WeakPolarHBondContact O-CG 3.39Å; Y31-L35 PolarHBondContact O-N 3.49Å; Y31-F82 HydrophobicContact CD2-CB 4.08Å; Y31-F82 AromaticContact CD2-CD1 3.48Å; Y31-F82 HydrophobicContact CD2-CD1 3.48Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.48Å; Y31-F82 AromaticContact CD2-CD2 3.75Å; Y31-F82 HydrophobicContact CD2-CD2 3.75Å; Y31-F82 AromaticContact CD2-CE1 3.75Å; Y31-F82 HydrophobicContact CD2-CE1 3.75Å; Y31-F82 HydrophobicContact CD2-CE2 4.02Å; Y31-F82 AromaticContact CD2-CG 3.46Å; Y31-F82 HydrophobicContact CD2-CG 3.46Å; Y31-F82 VanDerWaalsContact CD2-CG 3.46Å; Y31-F82 HydrophobicContact CD2-CZ 4.02Å; Y31-F82 HydrophobicContact CE2-CB 4.15Å; Y31-F82 HydrophobicContact CE2-CD1 4.1Å; Y31-F82 HydrophobicContact CE2-CG 4.02Å; Y31-F82 HydrophobicContact CG-CD1 4.4Å; Y31-F82 HydrophobicContact CG-CE1 4.24Å; Y31-F82 HydrophobicContact CG-CE2 4.49Å; Y31-F82 HydrophobicContact CG-CZ 4.3Å; Y31-F82 VanDerWaalsContact N-CE2 3.35Å
32K86.3Confident85.5Confident164 Ų16475.6 Ų75.671%0.71338%0.375SS*.Hα-helixtrans-65.9-39176.8-171.5179.4179.3-177.20112K28 Q29 W30 K36K28-K32 WeakPolarHBondContact O-CB 3.19Å; K28-K32 PolarHBondContact O-N 3.09Å; Q29-K32 PolarHBondContact O-N 3.26Å; W30-K32 VanDerWaalsContact C-N 3.32Å; W30-K32 PolarHBondContact O-N 3.12Å; K32-K36 WeakPolarHBondContact O-CB 3.41Å; K32-K36 PolarHBondContact O-N 3.35Å
33G85.7Confident85.5Confident27 Ų2775.2 Ų75.228%0.27837%0.373SS..Hα-helixtrans-63.8-50173.400000111.4Q29 W30 L35 K36 D37Q29-G33 PolarHBondContact O-N 3.42Å; W30-G33 PolarHBondContact O-N 2.91Å; G33-L35 PolarHBondContact O-N 3.44Å; G33-K36 WeakPolarHBondContact O-CA 3.45Å; G33-K36 VanDerWaalsContact O-CB 3.31Å; G33-K36 WeakPolarHBondContact O-CB 3.32Å; G33-K36 PolarHBondContact O-N 3.42Å; G33-D37 PolarHBondContact O-N 2.8Å
34F84.4Confident85.6Confident12 Ų1274.1 Ų74.15%0.05337%0.367CS..Hα-helixtrans-56.5-46.1178.8-171.3-93.5000112.3W30 Y31 K36 D37 C38 L43 F82 F85W30-F34 WeakPolarHBondContact O-CB 3.47Å; W30-F34 PolarHBondContact O-N 3.29Å; Y31-F34 PolarHBondContact O-N 3.34Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 3.16Å; F34-D37 PolarHBondContact O-N 3.45Å; F34-C38 HydrophobicContact CE1-CB 4.39Å; F34-C38 WeakPolarHBondContact O-CA 3.49Å; F34-C38 WeakPolarHBondContact O-CB 3.44Å; F34-C38 PolarHBondContact O-N 3.19Å; F34-L43 HydrophobicContact CE2-CB 4.18Å; F34-L43 HydrophobicContact CE2-CD2 4.42Å; F34-L43 HydrophobicContact CZ-CB 4.02Å; F34-F82 HydrophobicContact CB-CD2 3.85Å; F34-F82 HydrophobicContact CB-CE2 4.2Å; F34-F82 HydrophobicContact CD1-CB 4.17Å; F34-F82 HydrophobicContact CD1-CD2 4.06Å; F34-F82 HydrophobicContact CD2-CD2 4.36Å; F34-F82 HydrophobicContact CE1-CB 4.2Å; F34-F82 AromaticContact CG-CD2 3.84Å; F34-F82 HydrophobicContact CG-CD2 3.84Å; F34-F85 HydrophobicContact CD2-CB 4.43Å; F34-F85 AromaticContact CD2-CD1 3.94Å; F34-F85 HydrophobicContact CD2-CD1 3.94Å; F34-F85 HydrophobicContact CD2-CE1 4.35Å; F34-F85 HydrophobicContact CD2-CG 4.04Å; F34-F85 HydrophobicContact CE2-CB 4Å; F34-F85 HydrophobicContact CE2-CD1 4.33Å; F34-F85 HydrophobicContact CE2-CD2 4.34Å; F34-F85 AromaticContact CE2-CG 3.96Å; F34-F85 HydrophobicContact CE2-CG 3.96Å
35L85.3Confident85.5Confident42 Ų4271.8 Ų71.822%0.2236%0.358CS..Hα-helixtrans-68.9-24.3175.9-72.8-178.5000114.1Y31 G33 C38 P39Y31-L35 HydrophobicContact CD1-CD1 3.97Å; Y31-L35 HydrophobicContact CE1-CD1 3.42Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.42Å; Y31-L35 HydrophobicContact CE1-CG 4.24Å; Y31-L35 HydrophobicContact CE2-CD1 4.28Å; Y31-L35 HydrophobicContact CE2-CG 4.27Å; Y31-L35 WeakPolarHBondContact O-CG 3.39Å; Y31-L35 PolarHBondContact O-N 3.49Å; G33-L35 PolarHBondContact O-N 3.44Å; L35-C38 CarbonylContact O-C 3.6Å; L35-P39 WeakPolarHBondContact O-CA 3.09Å
36K84.4Confident85.4Confident172 Ų17270.3 Ų70.375%0.74835%0.354SS*.Hα-helixtrans-73.3-41.7176.6-175.9-170.8174.5-1650110.7K32 G33 F34K32-K36 WeakPolarHBondContact O-CB 3.41Å; K32-K36 PolarHBondContact O-N 3.35Å; G33-K36 WeakPolarHBondContact O-CA 3.45Å; G33-K36 VanDerWaalsContact O-CB 3.31Å; G33-K36 WeakPolarHBondContact O-CB 3.32Å; G33-K36 PolarHBondContact O-N 3.42Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 3.16Å
37D78.3Confident85.3Confident111 Ų11171 Ų7159%0.59436%0.357SS*.Hα-helixtrans-83-31.9179.9-63.3-43000111.7G33 F34G33-D37 PolarHBondContact O-N 2.8Å; F34-D37 PolarHBondContact O-N 3.45Å
38C80.5Confident85.2Confident5 Ų571.3 Ų71.33%0.03436%0.359CS..  trans-125.884.7179.3-53.80000110.5F34 L35 S40 G41 L43F34-C38 HydrophobicContact CE1-CB 4.39Å; F34-C38 WeakPolarHBondContact O-CA 3.49Å; F34-C38 WeakPolarHBondContact O-CB 3.44Å; F34-C38 PolarHBondContact O-N 3.19Å; L35-C38 CarbonylContact O-C 3.6Å; C38-S40 PolarHBondContact O-N 2.97Å; C38-S40 VanDerWaalsContact O-N 3.12Å; C38-G41 PolarHBondContact O-N 3.4Å; C38-L43 WeakPolarHBondContact SG-CD1 3.26Å
39P80.6Confident85Confident112 Ų11268.4 Ų68.473%0.72735%0.347SS*.THydrogen-bonded Turntrans-61.8-22.3-177.6-21.532.2000114.1L35 G41L35-P39 WeakPolarHBondContact O-CA 3.09Å; P39-G41 PolarHBondContact O-N 3.28Å
40S82.6Confident84.7Confident81 Ų8167.9 Ų67.957%0.56634%0.344SS*.THydrogen-bonded Turntrans-66-21.3172.850.90000113.3C38 R42C38-S40 PolarHBondContact O-N 2.97Å; C38-S40 VanDerWaalsContact O-N 3.12Å; S40-R42 PolarHBondContact O-N 3.04Å; S40-R42 PolarHBondContact OG-N 3.47Å; S40-R42 PolarHBondContact OG-O 2.86Å
41G83.3Confident84.2Confident22 Ų2265.4 Ų65.423%0.22734%0.338CS..SBendtrans71.212.9-170.100000114C38 P39C38-G41 PolarHBondContact O-N 3.4Å; P39-G41 PolarHBondContact O-N 3.28Å
42R86.6Confident83.6Confident111 Ų11165.6 Ų65.642%0.41934%0.339SS..EExtended strand (participates in β ladder)trans-141.4139.7177.2-71.6178.8176.2-99.5-1108.8S40 D77 T79S40-R42 PolarHBondContact O-N 3.04Å; S40-R42 PolarHBondContact OG-N 3.47Å; S40-R42 PolarHBondContact OG-O 2.86Å; R42-D77 IonicContact CZ-OD2 2.66Å; R42-D77 IonicContact NH1-OD1 2.91Å; R42-D77 IonicContact NH1-OD2 2.73Å; R42-D77 PolarHBondContact NH1-OD2 2.67Å; R42-T79 PolarHBondContact NH1-OG1 3.39Å
43L87.4Confident83Confident3 Ų361 Ų612%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-108.9114.9-179.3-178.169.2000108.6F34 C38 E47 F48 L51 F69 T79 I80F34-L43 HydrophobicContact CE2-CB 4.18Å; F34-L43 HydrophobicContact CE2-CD2 4.42Å; F34-L43 HydrophobicContact CZ-CB 4.02Å; C38-L43 WeakPolarHBondContact SG-CD1 3.26Å; L43-E47 HydrophobicContact CD1-CB 3.39Å; L43-E47 HydrophobicContact CG-CB 4.39Å; L43-F48 HydrophobicContact CD2-CB 4.27Å; L43-F48 HydrophobicContact CD2-CD2 3.58Å; L43-F48 HydrophobicContact CD2-CE2 4.45Å; L43-F48 HydrophobicContact CD2-CG 4.42Å; L43-F48 HydrophobicContact CG-CB 4.21Å; L43-F48 HydrophobicContact CG-CD2 4.39Å; L43-L51 HydrophobicContact CD1-CD1 3.96Å; L43-L51 HydrophobicContact CD2-CD1 4.05Å; L43-F69 WeakPolarHBondContact O-CE2 3.26Å; L43-T79 WeakPolarHBondContact O-CA 3.42Å; L43-I80 HydrophobicContact CB-CB 4.32Å; L43-I80 PolarHBondContact N-O 2.97Å; L43-I80 PolarHBondContact O-N 3.19Å
44N89.4Confident82.4Confident58 Ų5867.1 Ų67.131%0.3134%0.344SS..EExtended strand (participates in β ladder)trans-84.8170.5176.668.658000111.5D46 E47 F48N44-D46 VanDerWaalsContact C-N 3.31Å; N44-D46 PolarHBondContact O-N 3.18Å; N44-D46 WeakPolarHBondContact OD1-CB 3.48Å; N44-D46 PolarHBondContact OD1-N 2.9Å; N44-E47 PolarHBondContact N-OE2 3.26Å; N44-E47 PolarHBondContact ND2-OE2 2.83Å; N44-E47 PolarHBondContact O-N 2.92Å; N44-E47 PolarHBondContact OD1-N 3.49Å; N44-F48 WeakPolarHBondContact O-CB 3.38Å; N44-F48 PolarHBondContact O-N 2.63Å
45L85.9Confident81.6Confident52 Ų5274 Ų7427%0.27237%0.374SS..Hα-helixtrans-58.1-40.1-177.617862.6000113.2F48 Q49 Q66 F69L45-F48 PolarHBondContact O-N 3.13Å; L45-Q49 HydrophobicContact CD1-CG 4.26Å; L45-Q49 WeakPolarHBondContact O-CB 3.34Å; L45-Q49 WeakPolarHBondContact O-CG 3.14Å; L45-Q49 PolarHBondContact O-N 3.09Å; L45-Q66 HydrophobicContact CD1-CB 4.16Å; L45-Q66 HydrophobicContact CD1-CG 4.22Å; L45-Q66 HydrophobicContact CD2-CG 4.16Å; L45-F69 HydrophobicContact CB-CD2 4.36Å; L45-F69 HydrophobicContact CB-CE1 4.47Å; L45-F69 HydrophobicContact CB-CE2 4.29Å; L45-F69 HydrophobicContact CB-CG 4.48Å; L45-F69 HydrophobicContact CB-CZ 4.35Å; L45-F69 HydrophobicContact CD1-CB 3.7Å; L45-F69 HydrophobicContact CD1-CD1 4.17Å; L45-F69 HydrophobicContact CD1-CD2 4.06Å; L45-F69 HydrophobicContact CD1-CG 3.71Å
46D86.1Confident80.7Confident90 Ų9074.5 Ų74.548%0.48137%0.374SS..Hα-helixtrans-66.1-46.2-179.7-170.6-88.8000110.7N44 F48 Q49 Q50N44-D46 VanDerWaalsContact C-N 3.31Å; N44-D46 PolarHBondContact O-N 3.18Å; N44-D46 WeakPolarHBondContact OD1-CB 3.48Å; N44-D46 PolarHBondContact OD1-N 2.9Å; D46-F48 VanDerWaalsContact C-N 3.32Å; D46-F48 PolarHBondContact O-N 3.49Å; D46-Q49 PolarHBondContact O-N 2.94Å; D46-Q50 WeakPolarHBondContact O-CG 3.48Å; D46-Q50 PolarHBondContact O-N 3.42Å; D46-Q50 PolarHBondContact OD1-NE2 3.46Å
47E86.3Confident79.9Confident57 Ų5770.2 Ų70.227%0.26636%0.364SS..Hα-helixtrans-61.3-41.6175.5-66.4171.1145.800111.4L43 N44 Q50 L51L43-E47 HydrophobicContact CD1-CB 3.39Å; L43-E47 HydrophobicContact CG-CB 4.39Å; N44-E47 PolarHBondContact N-OE2 3.26Å; N44-E47 PolarHBondContact ND2-OE2 2.83Å; N44-E47 PolarHBondContact O-N 2.92Å; N44-E47 PolarHBondContact OD1-N 3.49Å; E47-Q50 PolarHBondContact O-N 3.03Å; E47-L51 WeakPolarHBondContact O-CG 3.48Å; E47-L51 PolarHBondContact O-N 3.35Å; E47-L51 VanDerWaalsContact O-N 3.09Å
48F85.3Confident79.3Confident8 Ų875.4 Ų75.44%0.03538%0.377CS..Hα-helixtrans-64.2-42.6176.6-169.7-100.3000112L43 N44 L45 D46 L51 Y52 A65 A68 F69 I80L43-F48 HydrophobicContact CD2-CB 4.27Å; L43-F48 HydrophobicContact CD2-CD2 3.58Å; L43-F48 HydrophobicContact CD2-CE2 4.45Å; L43-F48 HydrophobicContact CD2-CG 4.42Å; L43-F48 HydrophobicContact CG-CB 4.21Å; L43-F48 HydrophobicContact CG-CD2 4.39Å; N44-F48 WeakPolarHBondContact O-CB 3.38Å; N44-F48 PolarHBondContact O-N 2.63Å; L45-F48 PolarHBondContact O-N 3.13Å; D46-F48 VanDerWaalsContact C-N 3.32Å; D46-F48 PolarHBondContact O-N 3.49Å; F48-L51 WeakPolarHBondContact O-CB 3.27Å; F48-L51 PolarHBondContact O-N 3.11Å; F48-Y52 HydrophobicContact CD1-CD2 4.08Å; F48-Y52 HydrophobicContact CD1-CE2 4.17Å; F48-Y52 AromaticContact CE1-CD2 3.75Å; F48-Y52 HydrophobicContact CE1-CD2 3.75Å; F48-Y52 AromaticContact CE1-CE2 3.39Å; F48-Y52 HydrophobicContact CE1-CE2 3.39Å; F48-Y52 HydrophobicContact CE2-CE2 4.06Å; F48-Y52 HydrophobicContact CZ-CD2 4.06Å; F48-Y52 AromaticContact CZ-CE2 3.34Å; F48-Y52 HydrophobicContact CZ-CE2 3.34Å; F48-Y52 PolarHBondContact O-N 2.77Å; F48-Y52 VanDerWaalsContact O-N 3.12Å; F48-A65 HydrophobicContact CD1-CB 4.13Å; F48-A65 WeakPolarHBondContact CD1-O 3.4Å; F48-A65 HydrophobicContact CE1-CB 4.31Å; F48-A65 VanDerWaalsContact CE1-O 3.29Å; F48-A65 WeakPolarHBondContact CE1-O 3.19Å; F48-A68 HydrophobicContact CE1-CB 4.01Å; F48-A68 HydrophobicContact CZ-CB 4.3Å; F48-F69 HydrophobicContact CB-CD2 3.72Å; F48-F69 HydrophobicContact CB-CE2 4.22Å; F48-F69 HydrophobicContact CD1-CB 3.96Å; F48-F69 HydrophobicContact CD1-CD2 4.02Å; F48-F69 HydrophobicContact CD2-CD2 4.38Å; F48-F69 HydrophobicContact CE1-CB 4.17Å; F48-F69 AromaticContact CG-CD2 3.8Å; F48-F69 HydrophobicContact CG-CD2 3.8Å; F48-I80 HydrophobicContact CD2-CD1 3.93Å; F48-I80 HydrophobicContact CE2-CD1 4.03Å; F48-I80 HydrophobicContact CG-CD1 4.46Å
49Q83.5Confident78.7Confident44 Ų4476.3 Ų76.321%0.20639%0.387CS..Hα-helixtrans-61.9-43.9174.5-78.2179.5-14.600111.5L45 D46 L51 Y52 V53 S62 A65L45-Q49 HydrophobicContact CD1-CG 4.26Å; L45-Q49 WeakPolarHBondContact O-CB 3.34Å; L45-Q49 WeakPolarHBondContact O-CG 3.14Å; L45-Q49 PolarHBondContact O-N 3.09Å; D46-Q49 PolarHBondContact O-N 2.94Å; Q49-L51 VanDerWaalsContact C-N 3.27Å; Q49-L51 PolarHBondContact O-N 2.96Å; Q49-Y52 PolarHBondContact O-N 3.36Å; Q49-Y52 VanDerWaalsContact O-N 3.08Å; Q49-V53 WeakPolarHBondContact O-CG2 3.49Å; Q49-V53 PolarHBondContact O-N 3.12Å; Q49-S62 PolarHBondContact NE2-O 2.88Å; Q49-A65 HydrophobicContact CG-CB 3.84Å
50Q81.6Confident78.6Confident107 Ų10774.6 Ų74.650%0.537%0.372SS..Hα-helixtrans-61-35.2176.9-71.8-17628.900112.7D46 E47 K54D46-Q50 WeakPolarHBondContact O-CG 3.48Å; D46-Q50 PolarHBondContact O-N 3.42Å; D46-Q50 PolarHBondContact OD1-NE2 3.46Å; E47-Q50 PolarHBondContact O-N 3.03Å; Q50-K54 WeakPolarHBondContact O-CG 3.17Å; Q50-K54 PolarHBondContact O-N 3.16Å
51L78.8Confident78.3Confident52 Ų5270.8 Ų70.827%0.27235%0.345SS..Hα-helixtrans-63.2-47.9172.2-68.3172.3000110.7L43 E47 F48 Q49 V53 K54 F55L43-L51 HydrophobicContact CD1-CD1 3.96Å; L43-L51 HydrophobicContact CD2-CD1 4.05Å; E47-L51 WeakPolarHBondContact O-CG 3.48Å; E47-L51 PolarHBondContact O-N 3.35Å; E47-L51 VanDerWaalsContact O-N 3.09Å; F48-L51 WeakPolarHBondContact O-CB 3.27Å; F48-L51 PolarHBondContact O-N 3.11Å; Q49-L51 VanDerWaalsContact C-N 3.27Å; Q49-L51 PolarHBondContact O-N 2.96Å; L51-V53 PolarHBondContact O-N 3.29Å; L51-K54 WeakPolarHBondContact O-CB 3.36Å; L51-K54 PolarHBondContact O-N 2.99Å; L51-K54 VanDerWaalsContact O-N 3.16Å; L51-F55 WeakPolarHBondContact O-CD2 3.47Å; L51-F55 PolarHBondContact O-N 2.79Å
52Y72.6Confident78.3Confident47 Ų4771.8 Ų71.818%0.18435%0.348CS..Hα-helixtrans-61.7-40.5178.6-96-103.9000113.1F48 Q49 K54 F55 F56 A61 F64 A65 M131F48-Y52 HydrophobicContact CD1-CD2 4.08Å; F48-Y52 HydrophobicContact CD1-CE2 4.17Å; F48-Y52 AromaticContact CE1-CD2 3.75Å; F48-Y52 HydrophobicContact CE1-CD2 3.75Å; F48-Y52 AromaticContact CE1-CE2 3.39Å; F48-Y52 HydrophobicContact CE1-CE2 3.39Å; F48-Y52 HydrophobicContact CE2-CE2 4.06Å; F48-Y52 HydrophobicContact CZ-CD2 4.06Å; F48-Y52 AromaticContact CZ-CE2 3.34Å; F48-Y52 HydrophobicContact CZ-CE2 3.34Å; F48-Y52 PolarHBondContact O-N 2.77Å; F48-Y52 VanDerWaalsContact O-N 3.12Å; Q49-Y52 PolarHBondContact O-N 3.36Å; Q49-Y52 VanDerWaalsContact O-N 3.08Å; Y52-K54 VanDerWaalsContact C-N 3.26Å; Y52-K54 PolarHBondContact O-N 3.42Å; Y52-F55 PolarHBondContact O-N 2.93Å; Y52-F55 VanDerWaalsContact O-N 3.1Å; Y52-F56 HydrophobicContact CD1-CD2 4.32Å; Y52-F56 HydrophobicContact CD1-CE2 4.39Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 3.25Å; Y52-A61 HydrophobicContact CD1-CB 4.45Å; Y52-F64 HydrophobicContact CD1-CD1 4.27Å; Y52-F64 AromaticContact CE1-CD1 3.73Å; Y52-F64 HydrophobicContact CE1-CD1 3.73Å; Y52-F64 AromaticContact CE1-CE1 3.77Å; Y52-F64 HydrophobicContact CE1-CE1 3.77Å; Y52-A65 HydrophobicContact CD1-CB 4.21Å; Y52-A65 HydrophobicContact CD2-CB 4.16Å; Y52-A65 HydrophobicContact CG-CB 3.82Å; Y52-M131 HydrophobicContact CD1-CE 3.72Å; Y52-M131 HydrophobicContact CE1-CE 3.85Å
53V73.9Confident78.1Confident67 Ų6769.8 Ų69.841%0.40634%0.343SS..Hα-helixtrans-61.4-34.7176.1172.30000111.7Q49 L51 F55 F56 P57Q49-V53 WeakPolarHBondContact O-CG2 3.49Å; Q49-V53 PolarHBondContact O-N 3.12Å; L51-V53 PolarHBondContact O-N 3.29Å; V53-F55 VanDerWaalsContact C-N 3.34Å; V53-F55 PolarHBondContact O-N 3.06Å; V53-F56 CarbonylContact O-C 3.51Å; V53-F56 VanDerWaalsContact O-C 3.3Å; V53-F56 PolarHBondContact O-N 2.74Å; V53-P57 VanDerWaalsContact O-CA 3.26Å; V53-P57 WeakPolarHBondContact O-CA 3.16Å
54K72.8Confident77.9Confident157 Ų15770.9 Ų70.968%0.68335%0.347SS*.Hα-helixtrans-66.4-34.3175-72.1173.1-178169.90112.8Q50 L51 Y52Q50-K54 WeakPolarHBondContact O-CG 3.17Å; Q50-K54 PolarHBondContact O-N 3.16Å; L51-K54 WeakPolarHBondContact O-CB 3.36Å; L51-K54 PolarHBondContact O-N 2.99Å; L51-K54 VanDerWaalsContact O-N 3.16Å; Y52-K54 VanDerWaalsContact C-N 3.26Å; Y52-K54 PolarHBondContact O-N 3.42Å
55F68.5Low77.6Confident155 Ų15568.1 Ų68.168%0.6833%0.333SS*.Hα-helixtrans-79.9-31.2177.2-70.3-71.5000112.7L51 Y52 V53 P57L51-F55 WeakPolarHBondContact O-CD2 3.47Å; L51-F55 PolarHBondContact O-N 2.79Å; Y52-F55 PolarHBondContact O-N 2.93Å; Y52-F55 VanDerWaalsContact O-N 3.1Å; V53-F55 VanDerWaalsContact C-N 3.34Å; V53-F55 PolarHBondContact O-N 3.06Å; F55-P57 WeakPolarHBondContact O-CD 3.29Å
56F67Low77.6Confident53 Ų5370.3 Ų70.323%0.23234%0.342CS..  trans-124.164.6-177.9-60.2-84.7000111.3Y52 V53 Y58 G59 A61 M131 L189Y52-F56 HydrophobicContact CD1-CD2 4.32Å; Y52-F56 HydrophobicContact CD1-CE2 4.39Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 3.25Å; V53-F56 CarbonylContact O-C 3.51Å; V53-F56 VanDerWaalsContact O-C 3.3Å; V53-F56 PolarHBondContact O-N 2.74Å; F56-Y58 PolarHBondContact O-N 3.49Å; F56-G59 PolarHBondContact O-N 3.24Å; F56-A61 HydrophobicContact CB-CB 4.38Å; F56-M131 HydrophobicContact CB-CE 4.45Å; F56-M131 HydrophobicContact CD1-CE 3.84Å; F56-M131 HydrophobicContact CD2-CE 3.15Å; F56-M131 HydrophobicContact CE1-CE 3.81Å; F56-M131 HydrophobicContact CE2-CE 3.11Å; F56-M131 HydrophobicContact CG-CE 3.53Å; F56-M131 HydrophobicContact CG-CG 4.34Å; F56-M131 HydrophobicContact CZ-CE 3.46Å; F56-M131 VanDerWaalsContact CZ-CE 3.46Å; F56-L189 HydrophobicContact CE1-CD1 3.47Å; F56-L189 VanDerWaalsContact CE1-CD1 3.47Å; F56-L189 HydrophobicContact CE1-CD2 4.17Å; F56-L189 HydrophobicContact CE1-CG 4.42Å; F56-L189 HydrophobicContact CZ-CD1 3.56Å
57P66.8Low77.6Confident82 Ų8266.7 Ų66.753%0.53232%0.322SS..THydrogen-bonded Turntrans-69.1-10.4-170.726.8-35.1000114.6V53 F55V53-P57 VanDerWaalsContact O-CA 3.26Å; V53-P57 WeakPolarHBondContact O-CA 3.16Å; F55-P57 WeakPolarHBondContact O-CD 3.29Å
58Y65.9Low77.4Confident220 Ų22064 Ų6486%0.86331%0.309SS*.THydrogen-bonded Turntrans-105.8-2.7-174.5-58.7-73000114.2F56F56-Y58 PolarHBondContact O-N 3.49Å
59G68.9Low77.5Confident24 Ų2464.2 Ų64.225%0.24731%0.31CS..SBendtrans-131.9172179.100000112.9F56 A61 K130 M131F56-G59 PolarHBondContact O-N 3.24Å; G59-A61 PolarHBondContact O-N 3.37Å; G59-K130 WeakPolarHBondContact CA-O 3.42Å; G59-M131 WeakPolarHBondContact CA-O 3.46Å
60D78.2Confident77.7Confident77 Ų7766.2 Ų66.241%0.41232%0.316SS..  trans-92.189175.4-178.35.4000109.5S62 K130 M131D60-S62 PolarHBondContact O-N 3.33Å; D60-S62 WeakPolarHBondContact OD1-CB 3.17Å; D60-S62 PolarHBondContact OD1-N 2.8Å; D60-S62 PolarHBondContact OD1-OG 3.49Å; D60-K130 HydrophobicContact CB-CB 4.33Å; D60-K130 PolarHBondContact N-O 3.06Å; D60-K130 CarbonylContact O-C 3.3Å; D60-M131 WeakPolarHBondContact O-CA 3.46Å; D60-M131 PolarHBondContact O-N 3.42Å
61A76.1Confident77.7Confident0 Ų061.3 Ų61.30%029%0.293CS..  trans-78.2-2.3177.800000113.2Y52 F56 G59 K63 F64 A65 M131Y52-A61 HydrophobicContact CD1-CB 4.45Å; F56-A61 HydrophobicContact CB-CB 4.38Å; G59-A61 PolarHBondContact O-N 3.37Å; A61-K63 PolarHBondContact O-N 2.95Å; A61-F64 PolarHBondContact O-N 3.19Å; A61-A65 WeakPolarHBondContact O-CB 3.25Å; A61-A65 PolarHBondContact O-N 2.9Å; A61-M131 HydrophobicContact CB-CB 4.45Å; A61-M131 HydrophobicContact CB-CE 4.44Å; A61-M131 HydrophobicContact CB-CG 3.81Å; A61-M131 HydrophobicContact CB-SD 4.38Å
62S81.9Confident78.1Confident43 Ų4359.6 Ų59.630%0.30128%0.284SS..Hα-helixtrans-62.7-46.4-167-43.70000112.4Q49 D60 Q66Q49-S62 PolarHBondContact NE2-O 2.88Å; D60-S62 PolarHBondContact O-N 3.33Å; D60-S62 WeakPolarHBondContact OD1-CB 3.17Å; D60-S62 PolarHBondContact OD1-N 2.8Å; D60-S62 PolarHBondContact OD1-OG 3.49Å; S62-Q66 WeakPolarHBondContact O-CB 3.33Å; S62-Q66 PolarHBondContact O-N 3.41Å
63K82.8Confident78.8Confident70 Ų7058.4 Ų58.430%0.30428%0.281SS..Hα-helixtrans-64.7-48.1176.4-81.3-159.2169-1560111.7A61 A65 Q66 H67 E123 A127A61-K63 PolarHBondContact O-N 2.95Å; K63-A65 VanDerWaalsContact C-N 3.34Å; K63-A65 PolarHBondContact O-N 2.89Å; K63-Q66 WeakPolarHBondContact O-CB 3.4Å; K63-Q66 PolarHBondContact O-N 3.07Å; K63-Q66 VanDerWaalsContact O-N 3.11Å; K63-H67 PolarHBondContact O-CD2 3.37Å; K63-H67 PolarHBondContact O-N 3.1Å; K63-E123 IonicContact NZ-OE2 2.69Å; K63-A127 HydrophobicContact CB-CB 3.8Å
64F82.8Confident79.2Confident25 Ų2561.6 Ų61.611%0.1129%0.289CS..Hα-helixtrans-61.8-43.9179.8-177.1-91.6000111.7Y52 A61 Q66 H67 A68 M107 A127 I128 M131Y52-F64 HydrophobicContact CD1-CD1 4.27Å; Y52-F64 AromaticContact CE1-CD1 3.73Å; Y52-F64 HydrophobicContact CE1-CD1 3.73Å; Y52-F64 AromaticContact CE1-CE1 3.77Å; Y52-F64 HydrophobicContact CE1-CE1 3.77Å; A61-F64 PolarHBondContact O-N 3.19Å; F64-Q66 VanDerWaalsContact C-N 3.25Å; F64-Q66 PolarHBondContact O-N 2.89Å; F64-H67 PolarHBondContact O-N 3.11Å; F64-A68 HydrophobicContact CE1-CB 4.35Å; F64-A68 WeakPolarHBondContact O-CB 3.3Å; F64-A68 PolarHBondContact O-N 3.36Å; F64-M107 HydrophobicContact CE2-SD 3.82Å; F64-M107 HydrophobicContact CZ-CE 4.08Å; F64-M107 HydrophobicContact CZ-SD 3.87Å; F64-A127 HydrophobicContact CB-CB 4.33Å; F64-I128 HydrophobicContact CD2-CG1 3.64Å; F64-I128 HydrophobicContact CE2-CD1 4.23Å; F64-I128 HydrophobicContact CE2-CG1 3.74Å; F64-M131 HydrophobicContact CB-CB 4.33Å; F64-M131 HydrophobicContact CB-SD 3.61Å; F64-M131 HydrophobicContact CD1-CE 3.94Å; F64-M131 HydrophobicContact CD1-SD 3.25Å; F64-M131 WeakPolarHBondContact CD1-SD 3.18Å; F64-M131 HydrophobicContact CD2-SD 4.17Å; F64-M131 HydrophobicContact CE1-CE 4.28Å; F64-M131 HydrophobicContact CE1-SD 3.94Å; F64-M131 HydrophobicContact CG-SD 3.39Å; F64-M131 WeakPolarHBondContact CG-SD 3.37Å
65A84.1Confident79.8Confident0 Ų058.2 Ų58.20%028%0.278CS..Hα-helixtrans-60.7-35.1175.500000111.7F48 Q49 Y52 A61 K63 F69F48-A65 HydrophobicContact CD1-CB 4.13Å; F48-A65 WeakPolarHBondContact CD1-O 3.4Å; F48-A65 HydrophobicContact CE1-CB 4.31Å; F48-A65 VanDerWaalsContact CE1-O 3.29Å; F48-A65 WeakPolarHBondContact CE1-O 3.19Å; Q49-A65 HydrophobicContact CG-CB 3.84Å; Y52-A65 HydrophobicContact CD1-CB 4.21Å; Y52-A65 HydrophobicContact CD2-CB 4.16Å; Y52-A65 HydrophobicContact CG-CB 3.82Å; A61-A65 WeakPolarHBondContact O-CB 3.25Å; A61-A65 PolarHBondContact O-N 2.9Å; K63-A65 VanDerWaalsContact C-N 3.34Å; K63-A65 PolarHBondContact O-N 2.89Å; A65-F69 WeakPolarHBondContact O-CB 3.46Å; A65-F69 PolarHBondContact O-N 2.9Å
66Q86.7Confident80.5Confident99 Ų9953.7 Ų53.746%0.46328%0.276SS..Hα-helixtrans-65.7-44.5174.2-173.3178.212.800112.6L45 S62 K63 F64 F69 R70L45-Q66 HydrophobicContact CD1-CB 4.16Å; L45-Q66 HydrophobicContact CD1-CG 4.22Å; L45-Q66 HydrophobicContact CD2-CG 4.16Å; S62-Q66 WeakPolarHBondContact O-CB 3.33Å; S62-Q66 PolarHBondContact O-N 3.41Å; K63-Q66 WeakPolarHBondContact O-CB 3.4Å; K63-Q66 PolarHBondContact O-N 3.07Å; K63-Q66 VanDerWaalsContact O-N 3.11Å; F64-Q66 VanDerWaalsContact C-N 3.25Å; F64-Q66 PolarHBondContact O-N 2.89Å; Q66-F69 WeakPolarHBondContact O-CB 3.4Å; Q66-F69 PolarHBondContact O-N 3.17Å; Q66-R70 PolarHBondContact O-N 3.16Å; Q66-R70 VanDerWaalsContact O-N 3.11Å
67H84.4Confident81.5Confident13 Ų1354.7 Ų54.76%0.0628%0.283CS..Hα-helixtrans-65.9-43.9175.8-61.7-62.7000111.6K63 F64 F69 R70 T71 L110 E123 I124K63-H67 PolarHBondContact O-CD2 3.37Å; K63-H67 PolarHBondContact O-N 3.1Å; F64-H67 PolarHBondContact O-N 3.11Å; H67-F69 VanDerWaalsContact C-N 3.33Å; H67-F69 PolarHBondContact O-N 2.98Å; H67-R70 PolarHBondContact O-N 3.04Å; H67-T71 PolarHBondContact O-N 3.34Å; H67-L110 VanDerWaalsContact ND1-CD2 3.32Å; H67-L110 WeakPolarHBondContact ND1-CD2 3.38Å; H67-E123 IonicContact CE1-OE1 2.82Å; H67-E123 PolarHBondContact CE1-OE1 3.23Å; H67-E123 VanDerWaalsContact CE1-OE1 3.28Å; H67-E123 IonicContact NE2-OE1 3.78Å; H67-I124 HydrophobicContact CB-CD1 3.66Å; H67-I124 VanDerWaalsContact CD2-CD1 3.42Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.45Å
68A83.9Confident82.5Confident0 Ų052.6 Ų52.60%028%0.276CS..Hα-helixtrans-59.4-44.4173.900000111.1F48 F64 R70 T71 F72 M107F48-A68 HydrophobicContact CE1-CB 4.01Å; F48-A68 HydrophobicContact CZ-CB 4.3Å; F64-A68 HydrophobicContact CE1-CB 4.35Å; F64-A68 WeakPolarHBondContact O-CB 3.3Å; F64-A68 PolarHBondContact O-N 3.36Å; A68-R70 VanDerWaalsContact C-N 3.32Å; A68-R70 PolarHBondContact O-N 3.28Å; A68-T71 PolarHBondContact O-N 3.48Å; A68-T71 PolarHBondContact O-OG1 3.47Å; A68-F72 WeakPolarHBondContact O-CD2 3.46Å; A68-F72 PolarHBondContact O-N 3.01Å; A68-F72 VanDerWaalsContact O-N 3.15Å; A68-M107 HydrophobicContact CB-CE 4.06Å
69F87.1Confident83.7Confident13 Ų1343.5 Ų43.56%0.05724%0.244CC..Hα-helixtrans-54.7-47.1176.7-174.5-85.2000111.7L43 L45 F48 A65 Q66 H67 T71 F72 D73 G78 I80L43-F69 WeakPolarHBondContact O-CE2 3.26Å; L45-F69 HydrophobicContact CB-CD2 4.36Å; L45-F69 HydrophobicContact CB-CE1 4.47Å; L45-F69 HydrophobicContact CB-CE2 4.29Å; L45-F69 HydrophobicContact CB-CG 4.48Å; L45-F69 HydrophobicContact CB-CZ 4.35Å; L45-F69 HydrophobicContact CD1-CB 3.7Å; L45-F69 HydrophobicContact CD1-CD1 4.17Å; L45-F69 HydrophobicContact CD1-CD2 4.06Å; L45-F69 HydrophobicContact CD1-CG 3.71Å; F48-F69 HydrophobicContact CB-CD2 3.72Å; F48-F69 HydrophobicContact CB-CE2 4.22Å; F48-F69 HydrophobicContact CD1-CB 3.96Å; F48-F69 HydrophobicContact CD1-CD2 4.02Å; F48-F69 HydrophobicContact CD2-CD2 4.38Å; F48-F69 HydrophobicContact CE1-CB 4.17Å; F48-F69 AromaticContact CG-CD2 3.8Å; F48-F69 HydrophobicContact CG-CD2 3.8Å; A65-F69 WeakPolarHBondContact O-CB 3.46Å; A65-F69 PolarHBondContact O-N 2.9Å; Q66-F69 WeakPolarHBondContact O-CB 3.4Å; Q66-F69 PolarHBondContact O-N 3.17Å; H67-F69 VanDerWaalsContact C-N 3.33Å; H67-F69 PolarHBondContact O-N 2.98Å; F69-T71 PolarHBondContact O-N 3.02Å; F69-F72 WeakPolarHBondContact O-CB 3.49Å; F69-F72 PolarHBondContact O-N 3.07Å; F69-D73 HydrophobicContact CD1-CB 4.29Å; F69-D73 HydrophobicContact CE1-CB 4Å; F69-D73 WeakPolarHBondContact O-CB 3.4Å; F69-D73 PolarHBondContact O-N 2.85Å; F69-G78 WeakPolarHBondContact CZ-O 3.47Å; F69-I80 HydrophobicContact CD2-CD1 3.29Å; F69-I80 HydrophobicContact CD2-CG1 3.91Å; F69-I80 HydrophobicContact CE1-CG1 4.49Å; F69-I80 HydrophobicContact CE2-CB 4.42Å; F69-I80 HydrophobicContact CE2-CD1 3.44Å; F69-I80 VanDerWaalsContact CE2-CD1 3.44Å; F69-I80 HydrophobicContact CE2-CG1 3.57Å; F69-I80 HydrophobicContact CG-CD1 3.97Å; F69-I80 HydrophobicContact CZ-CD1 4.22Å; F69-I80 HydrophobicContact CZ-CG1 3.9Å
70R86.3Confident84.7Confident87 Ų8742.4 Ų42.433%0.32823%0.232SC..Hα-helixtrans-59.3-35.2177.2-165.8-16870.5-139.9-9.3112.6Q66 H67 A68 F72 N106 D109 L110Q66-R70 PolarHBondContact O-N 3.16Å; Q66-R70 VanDerWaalsContact O-N 3.11Å; H67-R70 PolarHBondContact O-N 3.04Å; A68-R70 VanDerWaalsContact C-N 3.32Å; A68-R70 PolarHBondContact O-N 3.28Å; R70-F72 VanDerWaalsContact C-N 3.31Å; R70-N106 PolarHBondContact NH2-O 3.14Å; R70-N106 VanDerWaalsContact NH2-O 3.1Å; R70-D109 PolarHBondContact NH2-O 2.91Å; R70-L110 VanDerWaalsContact NH1-C 3.32Å; R70-L110 VanDerWaalsContact NH1-CD2 3.3Å; R70-L110 PolarHBondContact NH1-O 3.47Å
71T83.3Confident85.2Confident4 Ų440.6 Ų40.63%0.02522%0.223CC..Hα-helixtrans-73.7-24.217864.20000113.9H67 A68 F69 K74 W103 N106 M107H67-T71 PolarHBondContact O-N 3.34Å; A68-T71 PolarHBondContact O-N 3.48Å; A68-T71 PolarHBondContact O-OG1 3.47Å; F69-T71 PolarHBondContact O-N 3.02Å; T71-K74 WeakPolarHBondContact O-CE 2.97Å; T71-K74 PolarHBondContact O-NZ 2.98Å; T71-W103 PolarHBondContact OG1-NE1 3.21Å; T71-N106 HydrophobicContact CG2-CB 4.39Å; T71-N106 WeakPolarHBondContact CG2-O 3.37Å; T71-M107 VanDerWaalsContact CG2-CA 3.5Å; T71-M107 HydrophobicContact CG2-CB 3.94Å
72F85.5Confident85.7Confident16 Ų1641.1 Ų41.17%0.0723%0.225CC..Hα-helixtrans-83.8-42.9176.2-82.4-125.2000111.4A68 F69 R70 K74 I80 E84 F85 A88 W103A68-F72 WeakPolarHBondContact O-CD2 3.46Å; A68-F72 PolarHBondContact O-N 3.01Å; A68-F72 VanDerWaalsContact O-N 3.15Å; F69-F72 WeakPolarHBondContact O-CB 3.49Å; F69-F72 PolarHBondContact O-N 3.07Å; R70-F72 VanDerWaalsContact C-N 3.31Å; F72-K74 PolarHBondContact O-N 3.43Å; F72-I80 HydrophobicContact CB-CD1 3.46Å; F72-I80 VanDerWaalsContact CB-CD1 3.46Å; F72-I80 HydrophobicContact CB-CG1 3.87Å; F72-I80 HydrophobicContact CB-CG2 4.46Å; F72-I80 HydrophobicContact CD1-CD1 4.24Å; F72-I80 HydrophobicContact CG-CD1 4.15Å; F72-E84 WeakPolarHBondContact O-CB 3.3Å; F72-F85 HydrophobicContact CE1-CD2 4.4Å; F72-A88 HydrophobicContact CD1-CB 3.35Å; F72-A88 HydrophobicContact CD2-CB 3.91Å; F72-A88 HydrophobicContact CE1-CB 3.32Å; F72-A88 HydrophobicContact CE2-CB 3.91Å; F72-A88 HydrophobicContact CG-CB 3.66Å; F72-A88 HydrophobicContact CZ-CB 3.62Å; F72-W103 HydrophobicContact CD2-CZ2 4.38Å; F72-W103 AromaticContact CE2-CZ2 3.75Å; F72-W103 HydrophobicContact CE2-CZ2 3.75Å
73D87.8Confident86Confident22 Ų2244.6 Ų44.612%0.11823%0.232CC..  trans-71.290.6176.4-179.15.3000110.3F69 N75 G76 D77 G78 I80F69-D73 HydrophobicContact CD1-CB 4.29Å; F69-D73 HydrophobicContact CE1-CB 4Å; F69-D73 WeakPolarHBondContact O-CB 3.4Å; F69-D73 PolarHBondContact O-N 2.85Å; D73-N75 PolarHBondContact OD1-OD1 3.3Å; D73-G76 VanDerWaalsContact OD1-CA 3.27Å; D73-G76 WeakPolarHBondContact OD1-CA 3.13Å; D73-G76 PolarHBondContact OD1-N 3.34Å; D73-D77 PolarHBondContact OD1-N 3.27Å; D73-D77 PolarHBondContact OD2-N 3.11Å; D73-G78 WeakPolarHBondContact OD2-CA 3.38Å; D73-G78 PolarHBondContact OD2-N 2.86Å; D73-I80 HydrophobicContact CB-CG1 4.37Å
74K82Confident86.3Confident134 Ų13442 Ų4258%0.58322%0.22SC*.SBendtrans-82.3-28.9-175.8-72.7-64.3178.7-162.50112T71 F72 E84T71-K74 WeakPolarHBondContact O-CE 2.97Å; T71-K74 PolarHBondContact O-NZ 2.98Å; F72-K74 PolarHBondContact O-N 3.43Å; K74-E84 PolarHBondContact N-OE1 2.91Å
75N85.2Confident86.6Confident85 Ų8542.5 Ų42.546%0.45522%0.223SC..SBendtrans-88-12.8-178.769.727.8000112.5D73 D77 E84D73-N75 PolarHBondContact OD1-OD1 3.3Å; N75-D77 VanDerWaalsContact C-N 3.28Å; N75-D77 PolarHBondContact ND2-OD2 3.02Å; N75-D77 PolarHBondContact O-N 3.44Å; N75-D77 WeakPolarHBondContact OD1-CB 3.32Å; N75-D77 PolarHBondContact OD1-N 3.36Å; N75-D77 PolarHBondContact OD1-OD1 3.15Å; N75-D77 PolarHBondContact OD1-OD2 3.24Å; N75-E84 PolarHBondContact N-OE1 3.48Å; N75-E84 VanDerWaalsContact N-OE1 3.12Å; N75-E84 PolarHBondContact ND2-OE1 2.98Å
76G84.2Confident86.7Confident61 Ų6142.5 Ų42.563%0.62922%0.223SC*.  trans70.223.3178.300000113.2D73 G78D73-G76 VanDerWaalsContact OD1-CA 3.27Å; D73-G76 WeakPolarHBondContact OD1-CA 3.13Å; D73-G76 PolarHBondContact OD1-N 3.34Å; G76-G78 PolarHBondContact O-N 3.05Å
77D88.7Confident86.7Confident73 Ų7339.1 Ų39.139%0.3921%0.21SC..SBendtrans-83.7-0.6-177.181.812.4000113.1R42 D73 N75 T79R42-D77 IonicContact CZ-OD2 2.66Å; R42-D77 IonicContact NH1-OD1 2.91Å; R42-D77 IonicContact NH1-OD2 2.73Å; R42-D77 PolarHBondContact NH1-OD2 2.67Å; D73-D77 PolarHBondContact OD1-N 3.27Å; D73-D77 PolarHBondContact OD2-N 3.11Å; N75-D77 VanDerWaalsContact C-N 3.28Å; N75-D77 PolarHBondContact ND2-OD2 3.02Å; N75-D77 PolarHBondContact O-N 3.44Å; N75-D77 WeakPolarHBondContact OD1-CB 3.32Å; N75-D77 PolarHBondContact OD1-N 3.36Å; N75-D77 PolarHBondContact OD1-OD1 3.15Å; N75-D77 PolarHBondContact OD1-OD2 3.24Å; D77-T79 VanDerWaalsContact C-N 3.25Å; D77-T79 WeakPolarHBondContact OD1-CA 3.39Å; D77-T79 WeakPolarHBondContact OD1-CB 3.2Å; D77-T79 PolarHBondContact OD1-N 3.48Å; D77-T79 PolarHBondContact OD1-OG1 3.26Å
78G87.4Confident86.7Confident38 Ų3838.8 Ų38.839%0.39221%0.209SC..SBendtrans78.79.7179.800000113.2F69 D73 G76F69-G78 WeakPolarHBondContact CZ-O 3.47Å; D73-G78 WeakPolarHBondContact OD2-CA 3.38Å; D73-G78 PolarHBondContact OD2-N 2.86Å; G76-G78 PolarHBondContact O-N 3.05Å
79T90.1Very high86.7Confident30 Ų3040.3 Ų40.318%0.18422%0.217CC..EExtended strand (participates in β ladder)trans-136.6143.1175.267.30000110.8R42 L43 D77R42-T79 PolarHBondContact NH1-OG1 3.39Å; L43-T79 WeakPolarHBondContact O-CA 3.42Å; D77-T79 VanDerWaalsContact C-N 3.25Å; D77-T79 WeakPolarHBondContact OD1-CA 3.39Å; D77-T79 WeakPolarHBondContact OD1-CB 3.2Å; D77-T79 PolarHBondContact OD1-N 3.48Å; D77-T79 PolarHBondContact OD1-OG1 3.26Å
80I89.6Confident86.6Confident0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-93.7117172.3-63.7165.7000107.9L43 F48 F69 F72 D73 E84 F85L43-I80 HydrophobicContact CB-CB 4.32Å; L43-I80 PolarHBondContact N-O 2.97Å; L43-I80 PolarHBondContact O-N 3.19Å; F48-I80 HydrophobicContact CD2-CD1 3.93Å; F48-I80 HydrophobicContact CE2-CD1 4.03Å; F48-I80 HydrophobicContact CG-CD1 4.46Å; F69-I80 HydrophobicContact CD2-CD1 3.29Å; F69-I80 HydrophobicContact CD2-CG1 3.91Å; F69-I80 HydrophobicContact CE1-CG1 4.49Å; F69-I80 HydrophobicContact CE2-CB 4.42Å; F69-I80 HydrophobicContact CE2-CD1 3.44Å; F69-I80 VanDerWaalsContact CE2-CD1 3.44Å; F69-I80 HydrophobicContact CE2-CG1 3.57Å; F69-I80 HydrophobicContact CG-CD1 3.97Å; F69-I80 HydrophobicContact CZ-CD1 4.22Å; F69-I80 HydrophobicContact CZ-CG1 3.9Å; F72-I80 HydrophobicContact CB-CD1 3.46Å; F72-I80 VanDerWaalsContact CB-CD1 3.46Å; F72-I80 HydrophobicContact CB-CG1 3.87Å; F72-I80 HydrophobicContact CB-CG2 4.46Å; F72-I80 HydrophobicContact CD1-CD1 4.24Å; F72-I80 HydrophobicContact CG-CD1 4.15Å; D73-I80 HydrophobicContact CB-CG1 4.37Å; I80-E84 WeakPolarHBondContact CA-OE2 3.25Å; I80-E84 HydrophobicContact CG2-CB 3.91Å; I80-F85 HydrophobicContact CG2-CB 3.84Å
81D89.4Confident86.5Confident40 Ų4038 Ų3821%0.21421%0.212CC..EExtended strand (participates in β ladder)trans-82.3170.1170.776.656.6000112.1R83 E84 F85D81-R83 VanDerWaalsContact C-N 3.27Å; D81-R83 PolarHBondContact O-N 3.49Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.41Å; D81-R83 WeakPolarHBondContact OD1-CB 3.19Å; D81-R83 PolarHBondContact OD1-N 2.97Å; D81-E84 PolarHBondContact N-OE2 3.33Å; D81-E84 PolarHBondContact O-N 2.93Å; D81-E84 PolarHBondContact OD1-N 3.5Å; D81-F85 WeakPolarHBondContact O-CB 3.49Å; D81-F85 PolarHBondContact O-N 2.93Å
82F87.5Confident86.2Confident11 Ų1140 Ų405%0.04822%0.224CC..Hα-helixtrans-60.2-35.8-177.9178.3-107.9000113.5L8 L16 W30 Y31 F34 I86L8-F82 HydrophobicContact CD1-CD1 4.33Å; L8-F82 HydrophobicContact CD1-CE1 3.79Å; L8-F82 HydrophobicContact CD2-CD1 3.91Å; L8-F82 HydrophobicContact CD2-CE1 4.2Å; L16-F82 HydrophobicContact CD1-CD1 4.11Å; L16-F82 HydrophobicContact CD1-CE1 3.86Å; W30-F82 HydrophobicContact CB-CE2 4.04Å; W30-F82 HydrophobicContact CB-CZ 4.12Å; Y31-F82 HydrophobicContact CD2-CB 4.08Å; Y31-F82 AromaticContact CD2-CD1 3.48Å; Y31-F82 HydrophobicContact CD2-CD1 3.48Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.48Å; Y31-F82 AromaticContact CD2-CD2 3.75Å; Y31-F82 HydrophobicContact CD2-CD2 3.75Å; Y31-F82 AromaticContact CD2-CE1 3.75Å; Y31-F82 HydrophobicContact CD2-CE1 3.75Å; Y31-F82 HydrophobicContact CD2-CE2 4.02Å; Y31-F82 AromaticContact CD2-CG 3.46Å; Y31-F82 HydrophobicContact CD2-CG 3.46Å; Y31-F82 VanDerWaalsContact CD2-CG 3.46Å; Y31-F82 HydrophobicContact CD2-CZ 4.02Å; Y31-F82 HydrophobicContact CE2-CB 4.15Å; Y31-F82 HydrophobicContact CE2-CD1 4.1Å; Y31-F82 HydrophobicContact CE2-CG 4.02Å; Y31-F82 HydrophobicContact CG-CD1 4.4Å; Y31-F82 HydrophobicContact CG-CE1 4.24Å; Y31-F82 HydrophobicContact CG-CE2 4.49Å; Y31-F82 HydrophobicContact CG-CZ 4.3Å; Y31-F82 VanDerWaalsContact N-CE2 3.35Å; F34-F82 HydrophobicContact CB-CD2 3.85Å; F34-F82 HydrophobicContact CB-CE2 4.2Å; F34-F82 HydrophobicContact CD1-CB 4.17Å; F34-F82 HydrophobicContact CD1-CD2 4.06Å; F34-F82 HydrophobicContact CD2-CD2 4.36Å; F34-F82 HydrophobicContact CE1-CB 4.2Å; F34-F82 AromaticContact CG-CD2 3.84Å; F34-F82 HydrophobicContact CG-CD2 3.84Å; F82-I86 HydrophobicContact CE1-CB 4.45Å; F82-I86 HydrophobicContact CE1-CG2 4.25Å; F82-I86 HydrophobicContact CE2-CB 4.39Å; F82-I86 HydrophobicContact CZ-CB 4.19Å; F82-I86 HydrophobicContact CZ-CG1 4.23Å; F82-I86 HydrophobicContact CZ-CG2 4.48Å; F82-I86 WeakPolarHBondContact O-CB 3.4Å; F82-I86 VanDerWaalsContact O-CG2 3.25Å; F82-I86 WeakPolarHBondContact O-CG2 3.39Å; F82-I86 PolarHBondContact O-N 3.46Å
83R88Confident85.7Confident116 Ų11642.3 Ų42.344%0.43824%0.242SC..Hα-helixtrans-66.5-45.3178.4175.3171.7-167.5-94.12.5110D15 L16 D81 I86 C87D15-R83 IonicContact OD1-CZ 3.73Å; D15-R83 IonicContact OD1-NE 3.79Å; D15-R83 PolarHBondContact OD1-NE 2.94Å; D15-R83 IonicContact OD1-NH2 3.89Å; D15-R83 PolarHBondContact OD1-NH2 3.15Å; D15-R83 IonicContact OD2-NH2 2.63Å; L16-R83 HydrophobicContact CD2-CB 3.96Å; L16-R83 HydrophobicContact CD2-CG 3.68Å; D81-R83 VanDerWaalsContact C-N 3.27Å; D81-R83 PolarHBondContact O-N 3.49Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.41Å; D81-R83 WeakPolarHBondContact OD1-CB 3.19Å; D81-R83 PolarHBondContact OD1-N 2.97Å; R83-I86 PolarHBondContact O-N 3.32Å; R83-C87 WeakPolarHBondContact O-CB 3.4Å; R83-C87 PolarHBondContact O-N 3.38Å; R83-C87 PolarHBondContact O-SG 3.29Å
84E89.3Confident85.4Confident14 Ų1446.5 Ų46.57%0.06526%0.257CS..Hα-helixtrans-61.3-46.7175.7-71.5175.3139.300111.9F72 K74 N75 I80 D81 I86 A88F72-E84 WeakPolarHBondContact O-CB 3.3Å; K74-E84 PolarHBondContact N-OE1 2.91Å; N75-E84 PolarHBondContact N-OE1 3.48Å; N75-E84 VanDerWaalsContact N-OE1 3.12Å; N75-E84 PolarHBondContact ND2-OE1 2.98Å; I80-E84 WeakPolarHBondContact CA-OE2 3.25Å; I80-E84 HydrophobicContact CG2-CB 3.91Å; D81-E84 PolarHBondContact N-OE2 3.33Å; D81-E84 PolarHBondContact O-N 2.93Å; D81-E84 PolarHBondContact OD1-N 3.5Å; E84-I86 PolarHBondContact O-N 2.9Å; E84-A88 VanDerWaalsContact O-CB 3.31Å; E84-A88 WeakPolarHBondContact O-CB 3.29Å; E84-A88 PolarHBondContact O-N 3.25Å
85F87.3Confident85.1Confident37 Ų3740.6 Ų40.616%0.16223%0.233CC..Hα-helixtrans-57.4-51.4176.6175-100.8000112.4W30 F34 F72 I80 D81 A88 L89W30-F85 AromaticContact CE3-CE1 3.86Å; W30-F85 HydrophobicContact CE3-CE1 3.86Å; W30-F85 HydrophobicContact CE3-CZ 4.27Å; W30-F85 HydrophobicContact CZ3-CE1 4.16Å; W30-F85 HydrophobicContact CZ3-CZ 4.11Å; F34-F85 HydrophobicContact CD2-CB 4.43Å; F34-F85 AromaticContact CD2-CD1 3.94Å; F34-F85 HydrophobicContact CD2-CD1 3.94Å; F34-F85 HydrophobicContact CD2-CE1 4.35Å; F34-F85 HydrophobicContact CD2-CG 4.04Å; F34-F85 HydrophobicContact CE2-CB 4Å; F34-F85 HydrophobicContact CE2-CD1 4.33Å; F34-F85 HydrophobicContact CE2-CD2 4.34Å; F34-F85 AromaticContact CE2-CG 3.96Å; F34-F85 HydrophobicContact CE2-CG 3.96Å; F72-F85 HydrophobicContact CE1-CD2 4.4Å; I80-F85 HydrophobicContact CG2-CB 3.84Å; D81-F85 WeakPolarHBondContact O-CB 3.49Å; D81-F85 PolarHBondContact O-N 2.93Å; F85-A88 PolarHBondContact O-N 2.85Å; F85-L89 HydrophobicContact CE1-CD2 4.31Å; F85-L89 HydrophobicContact CZ-CD2 4.45Å; F85-L89 WeakPolarHBondContact O-CB 3.39Å; F85-L89 PolarHBondContact O-N 3.4Å
86I87Confident85.1Confident0 Ų039.3 Ų39.30%023%0.231CC..Hα-helixtrans-74.8-32.5-173.7-159.456.5000112.4L16 T20 F22 L27 W30 F82 R83 E84 L89 S90L16-I86 HydrophobicContact CD2-CG2 3.7Å; T20-I86 HydrophobicContact CG2-CG2 4.25Å; F22-I86 HydrophobicContact CD2-CD1 3.8Å; F22-I86 HydrophobicContact CD2-CG1 3.99Å; F22-I86 HydrophobicContact CE2-CD1 3.74Å; F22-I86 HydrophobicContact CE2-CG1 4.29Å; F22-I86 HydrophobicContact CZ-CD1 4.46Å; L27-I86 HydrophobicContact CD2-CD1 4.18Å; L27-I86 HydrophobicContact CD2-CG1 3.39Å; L27-I86 HydrophobicContact CD2-CG2 4.39Å; W30-I86 HydrophobicContact CB-CD1 3.92Å; W30-I86 HydrophobicContact CD2-CD1 4.39Å; W30-I86 HydrophobicContact CG-CD1 3.79Å; F82-I86 HydrophobicContact CE1-CB 4.45Å; F82-I86 HydrophobicContact CE1-CG2 4.25Å; F82-I86 HydrophobicContact CE2-CB 4.39Å; F82-I86 HydrophobicContact CZ-CB 4.19Å; F82-I86 HydrophobicContact CZ-CG1 4.23Å; F82-I86 HydrophobicContact CZ-CG2 4.48Å; F82-I86 WeakPolarHBondContact O-CB 3.4Å; F82-I86 VanDerWaalsContact O-CG2 3.25Å; F82-I86 WeakPolarHBondContact O-CG2 3.39Å; F82-I86 PolarHBondContact O-N 3.46Å; R83-I86 PolarHBondContact O-N 3.32Å; E84-I86 PolarHBondContact O-N 2.9Å; I86-L89 HydrophobicContact CD1-CD2 4.07Å; I86-L89 PolarHBondContact O-N 3.34Å; I86-S90 VanDerWaalsContact O-CB 3.29Å; I86-S90 WeakPolarHBondContact O-CB 3.31Å; I86-S90 PolarHBondContact O-N 3.45Å
87C86.5Confident84.9Confident27 Ų2741.1 Ų41.118%0.18222%0.222CC..Hα-helixtrans-64.7-46.3172.1-750000111.3R83 L89 S90 I91R83-C87 WeakPolarHBondContact O-CB 3.4Å; R83-C87 PolarHBondContact O-N 3.38Å; R83-C87 PolarHBondContact O-SG 3.29Å; C87-L89 PolarHBondContact O-N 2.85Å; C87-S90 WeakPolarHBondContact O-CB 3.42Å; C87-S90 PolarHBondContact O-N 3Å; C87-I91 WeakPolarHBondContact O-CG1 3.35Å; C87-I91 PolarHBondContact O-N 3.02Å
88A84.6Confident84.6Confident7 Ų742.4 Ų42.46%0.05823%0.226CC..Hα-helixtrans-63.9-40.9176.100000111.9F72 E84 F85 S90 I91 T92F72-A88 HydrophobicContact CD1-CB 3.35Å; F72-A88 HydrophobicContact CD2-CB 3.91Å; F72-A88 HydrophobicContact CE1-CB 3.32Å; F72-A88 HydrophobicContact CE2-CB 3.91Å; F72-A88 HydrophobicContact CG-CB 3.66Å; F72-A88 HydrophobicContact CZ-CB 3.62Å; E84-A88 VanDerWaalsContact O-CB 3.31Å; E84-A88 WeakPolarHBondContact O-CB 3.29Å; E84-A88 PolarHBondContact O-N 3.25Å; F85-A88 PolarHBondContact O-N 2.85Å; A88-S90 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 2.94Å; A88-I91 PolarHBondContact O-N 2.91Å; A88-T92 WeakPolarHBondContact O-CG2 3.42Å; A88-T92 PolarHBondContact O-N 3.29Å; A88-T92 PolarHBondContact O-OG1 2.66Å
89L84.4Confident84.4Confident32 Ų3245.1 Ų45.117%0.16823%0.228CC..Hα-helixtrans-63.2-39.4174.6-17365.2000112F22 W30 F85 I86 C87 T92 S93F22-L89 HydrophobicContact CE2-CD2 4.41Å; F22-L89 HydrophobicContact CE2-CG 4.33Å; F22-L89 HydrophobicContact CZ-CD2 4.14Å; F22-L89 HydrophobicContact CZ-CG 4.16Å; W30-L89 HydrophobicContact CD2-CD2 3.96Å; W30-L89 HydrophobicContact CE3-CD2 4.16Å; W30-L89 HydrophobicContact CH2-CD2 3.72Å; W30-L89 HydrophobicContact CZ2-CD2 3.5Å; W30-L89 HydrophobicContact CZ3-CD2 4.05Å; F85-L89 HydrophobicContact CE1-CD2 4.31Å; F85-L89 HydrophobicContact CZ-CD2 4.45Å; F85-L89 WeakPolarHBondContact O-CB 3.39Å; F85-L89 PolarHBondContact O-N 3.4Å; I86-L89 HydrophobicContact CD1-CD2 4.07Å; I86-L89 PolarHBondContact O-N 3.34Å; C87-L89 PolarHBondContact O-N 2.85Å; L89-T92 WeakPolarHBondContact CA-OG1 3.18Å; L89-T92 PolarHBondContact O-OG1 2.91Å; L89-S93 WeakPolarHBondContact O-CB 3.31Å; L89-S93 PolarHBondContact O-N 3.21Å; L89-S93 PolarHBondContact O-OG 3.1Å
90S85.1Confident84.1Confident6 Ų646.6 Ų46.64%0.04223%0.232CC..Hα-helixtrans-61.3-46.3176.1-176.70000111.1T20 E21 I86 C87 A88 R94 G95T20-S90 WeakPolarHBondContact CA-OG 3.48Å; E21-S90 PolarHBondContact N-OG 2.97Å; I86-S90 VanDerWaalsContact O-CB 3.29Å; I86-S90 WeakPolarHBondContact O-CB 3.31Å; I86-S90 PolarHBondContact O-N 3.45Å; C87-S90 WeakPolarHBondContact O-CB 3.42Å; C87-S90 PolarHBondContact O-N 3Å; A88-S90 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 2.94Å; S90-R94 CarbonylContact O-C 3.56Å; S90-R94 WeakPolarHBondContact O-CA 3.26Å; S90-R94 PolarHBondContact O-N 3.27Å; S90-G95 PolarHBondContact O-N 3.39Å
91I83.1Confident83.7Confident44 Ų4446.9 Ų46.923%0.22623%0.233CC..Hα-helixtrans-63.7-49.9179-67.3163.6000111C87 A88 S93 G95 Q99 K100 W103C87-I91 WeakPolarHBondContact O-CG1 3.35Å; C87-I91 PolarHBondContact O-N 3.02Å; A88-I91 PolarHBondContact O-N 2.91Å; I91-S93 PolarHBondContact O-N 2.85Å; I91-G95 VanDerWaalsContact O-CA 3.27Å; I91-G95 WeakPolarHBondContact O-CA 3.3Å; I91-G95 PolarHBondContact O-N 3.17Å; I91-G95 VanDerWaalsContact O-N 3.1Å; I91-Q99 HydrophobicContact CG2-CB 4.08Å; I91-K100 WeakPolarHBondContact O-CE 3.31Å; I91-K100 WeakPolarHBondContact O-CG 3.3Å; I91-W103 HydrophobicContact CG2-CB 3.83Å; I91-W103 HydrophobicContact CG2-CG 4.24Å
92T77.3Confident83.5Confident47 Ų4747.9 Ų47.929%0.28824%0.239SC..Hα-helixtrans-67.7-35.9-176.752.10000112.5A88 L89 K100 W103A88-T92 WeakPolarHBondContact O-CG2 3.42Å; A88-T92 PolarHBondContact O-N 3.29Å; A88-T92 PolarHBondContact O-OG1 2.66Å; L89-T92 WeakPolarHBondContact CA-OG1 3.18Å; L89-T92 PolarHBondContact O-OG1 2.91Å; T92-K100 VanDerWaalsContact O-CE 3.25Å; T92-K100 WeakPolarHBondContact O-CE 3.44Å; T92-W103 HydrophobicContact CG2-CD2 3.89Å; T92-W103 HydrophobicContact CG2-CE3 3.9Å; T92-W103 HydrophobicContact CG2-CH2 3.84Å; T92-W103 HydrophobicContact CG2-CZ2 3.91Å; T92-W103 HydrophobicContact CG2-CZ3 3.86Å
93S75.9Confident83.3Confident64 Ų6449.6 Ų49.645%0.44825%0.245SC..Hα-helixtrans-86.1-57.3-178.2-51.10000112.6L89 I91 K100L89-S93 WeakPolarHBondContact O-CB 3.31Å; L89-S93 PolarHBondContact O-N 3.21Å; L89-S93 PolarHBondContact O-OG 3.1Å; I91-S93 PolarHBondContact O-N 2.85Å; S93-K100 PolarHBondContact O-NZ 3.47Å
94R79.9Confident83.1Confident111 Ų11144.9 Ų44.942%0.41923%0.231SC..Hα-helixtrans-115.1-4.6-167.3-63.8-178.5-177.9176.93.9113.8E21 E26 S90E21-R94 HydrophobicContact CB-CB 3.63Å; E21-R94 HydrophobicContact CB-CG 4.33Å; E21-R94 HydrophobicContact CG-CB 3.98Å; E21-R94 WeakPolarHBondContact O-CD 3.45Å; E21-R94 PolarHBondContact O-NH1 3.19Å; E26-R94 IonicContact OE1-CZ 3.28Å; E26-R94 IonicContact OE1-NH1 2.93Å; E26-R94 PolarHBondContact OE1-NH1 3.45Å; E26-R94 IonicContact OE1-NH2 3.93Å; E26-R94 PolarHBondContact OE1-NH2 3.34Å; E26-R94 IonicContact OE2-CZ 3.38Å; E26-R94 IonicContact OE2-NH1 3.5Å; E26-R94 PolarHBondContact OE2-NH1 2.92Å; E26-R94 IonicContact OE2-NH2 2.93Å; S90-R94 CarbonylContact O-C 3.56Å; S90-R94 WeakPolarHBondContact O-CA 3.26Å; S90-R94 PolarHBondContact O-N 3.27Å
95G77.8Confident83Confident9 Ų944.4 Ų44.49%0.09323%0.229CC..  trans-61.6152.8-179.200000112.7S90 I91 K100S90-G95 PolarHBondContact O-N 3.39Å; I91-G95 VanDerWaalsContact O-CA 3.27Å; I91-G95 WeakPolarHBondContact O-CA 3.3Å; I91-G95 PolarHBondContact O-N 3.17Å; I91-G95 VanDerWaalsContact O-N 3.1Å; G95-K100 WeakPolarHBondContact O-CE 3.36Å
96S83.3Confident82.9Confident59 Ų5944.7 Ų44.741%0.41323%0.232SC..  trans-59.6159.9171.362.90000111.4E98 Q99 K100S96-E98 PolarHBondContact O-N 2.71Å; S96-Q99 PolarHBondContact O-N 3.38Å; S96-Q99 VanDerWaalsContact O-N 3.14Å; S96-Q99 VanDerWaalsContact OG-CG 3.28Å; S96-Q99 WeakPolarHBondContact OG-CG 3.12Å; S96-Q99 PolarHBondContact OG-N 2.79Å; S96-Q99 PolarHBondContact OG-OE1 2.89Å; S96-K100 WeakPolarHBondContact O-CG 3.33Å; S96-K100 PolarHBondContact O-N 3.1Å
97F80.1Confident82.8Confident98 Ų9845.2 Ų45.243%0.4323%0.234SC..Hα-helixtrans-53.2-41.8176.2-177.8-107.2000112.1K100 L101 K176 V182F97-K100 PolarHBondContact O-N 3.14Å; F97-L101 HydrophobicContact CD1-CD1 3.8Å; F97-L101 HydrophobicContact CD1-CG 4.41Å; F97-L101 HydrophobicContact CE1-CD1 3.35Å; F97-L101 HydrophobicContact CE1-CG 4.13Å; F97-L101 HydrophobicContact CZ-CD1 3.76Å; F97-L101 HydrophobicContact CZ-CD2 4.35Å; F97-L101 HydrophobicContact CZ-CG 4.19Å; F97-L101 WeakPolarHBondContact O-CG 3.39Å; F97-L101 PolarHBondContact O-N 3.22Å; F97-K176 HydrophobicContact CE1-CG 4.05Å; F97-V182 HydrophobicContact CE2-CG1 4.33Å; F97-V182 HydrophobicContact CE2-CG2 4.29Å; F97-V182 HydrophobicContact CZ-CG2 4.08Å
98E83Confident82.8Confident101 Ų10144.2 Ų44.247%0.47223%0.227SC..Hα-helixtrans-68.8-38.1178.8-65.6-166121.900113.1S96 K100 L101 N102 K176S96-E98 PolarHBondContact O-N 2.71Å; E98-K100 VanDerWaalsContact C-N 3.34Å; E98-L101 PolarHBondContact O-N 2.75Å; E98-N102 WeakPolarHBondContact O-CB 3.23Å; E98-N102 PolarHBondContact O-N 3.21Å; E98-K176 IonicContact OE1-NZ 3.88Å; E98-K176 PolarHBondContact OE1-NZ 3.27Å
99Q83.4Confident83Confident95 Ų9544.1 Ų44.144%0.44423%0.226SC..Hα-helixtrans-64.8-40.6174.4-73.6168.2-56.500111.5I91 S96 N102 W103I91-Q99 HydrophobicContact CG2-CB 4.08Å; S96-Q99 PolarHBondContact O-N 3.38Å; S96-Q99 VanDerWaalsContact O-N 3.14Å; S96-Q99 VanDerWaalsContact OG-CG 3.28Å; S96-Q99 WeakPolarHBondContact OG-CG 3.12Å; S96-Q99 PolarHBondContact OG-N 2.79Å; S96-Q99 PolarHBondContact OG-OE1 2.89Å; Q99-N102 PolarHBondContact O-N 2.65Å; Q99-W103 WeakPolarHBondContact O-CB 3.46Å; Q99-W103 PolarHBondContact O-N 3.1Å
100K82.8Confident83.1Confident61 Ų6144.1 Ų44.127%0.26523%0.226SC..Hα-helixtrans-63.7-41.8175.7-71.7178.1176.4-177.30111.6I91 T92 S93 G95 S96 F97 E98 W103 A104I91-K100 WeakPolarHBondContact O-CE 3.31Å; I91-K100 WeakPolarHBondContact O-CG 3.3Å; T92-K100 VanDerWaalsContact O-CE 3.25Å; T92-K100 WeakPolarHBondContact O-CE 3.44Å; S93-K100 PolarHBondContact O-NZ 3.47Å; G95-K100 WeakPolarHBondContact O-CE 3.36Å; S96-K100 WeakPolarHBondContact O-CG 3.33Å; S96-K100 PolarHBondContact O-N 3.1Å; F97-K100 PolarHBondContact O-N 3.14Å; E98-K100 VanDerWaalsContact C-N 3.34Å; K100-W103 PolarHBondContact O-N 2.96Å; K100-A104 WeakPolarHBondContact O-CB 3.06Å; K100-A104 PolarHBondContact O-N 3.44Å
101L82.5Confident83.1Confident5 Ų549.1 Ų49.13%0.02625%0.252CS..Hα-helixtrans-64.9-43.5174.9-73.2179000112.4F97 E98 W103 A104 F105 F171 K172 A175 V182F97-L101 HydrophobicContact CD1-CD1 3.8Å; F97-L101 HydrophobicContact CD1-CG 4.41Å; F97-L101 HydrophobicContact CE1-CD1 3.35Å; F97-L101 HydrophobicContact CE1-CG 4.13Å; F97-L101 HydrophobicContact CZ-CD1 3.76Å; F97-L101 HydrophobicContact CZ-CD2 4.35Å; F97-L101 HydrophobicContact CZ-CG 4.19Å; F97-L101 WeakPolarHBondContact O-CG 3.39Å; F97-L101 PolarHBondContact O-N 3.22Å; E98-L101 PolarHBondContact O-N 2.75Å; L101-W103 VanDerWaalsContact C-N 3.3Å; L101-W103 PolarHBondContact O-N 3.44Å; L101-A104 PolarHBondContact O-N 2.7Å; L101-F105 WeakPolarHBondContact O-CB 3.32Å; L101-F105 PolarHBondContact O-N 3.23Å; L101-F171 HydrophobicContact CB-CE1 4.38Å; L101-F171 HydrophobicContact CD2-CE1 4Å; L101-F171 WeakPolarHBondContact O-CE1 3.46Å; L101-K172 HydrophobicContact CD1-CG 4.41Å; L101-A175 HydrophobicContact CD1-CB 3.72Å; L101-A175 HydrophobicContact CD2-CB 3.43Å; L101-A175 VanDerWaalsContact CD2-CB 3.43Å; L101-A175 HydrophobicContact CG-CB 4.24Å; L101-V182 HydrophobicContact CD2-CG2 4.22Å
102N85.7Confident83.3Confident62 Ų6249.9 Ų49.933%0.33227%0.27SS..Hα-helixtrans-64.2-38.7177.5-165.375.1000111.7E98 Q99 F105 N106E98-N102 WeakPolarHBondContact O-CB 3.23Å; E98-N102 PolarHBondContact O-N 3.21Å; Q99-N102 PolarHBondContact O-N 2.65Å; N102-F105 PolarHBondContact O-N 3.01Å; N102-N106 PolarHBondContact O-N 3.4Å; N102-N106 VanDerWaalsContact O-N 3.15Å; N102-N106 PolarHBondContact O-ND2 2.96Å
103W83.1Confident83.8Confident47 Ų4751.6 Ų51.618%0.17828%0.277CS..Hα-helixtrans-66.7-43.7174.8-178.181.5000111.9T71 F72 I91 T92 Q99 K100 L101 F105 N106 M107T71-W103 PolarHBondContact OG1-NE1 3.21Å; F72-W103 HydrophobicContact CD2-CZ2 4.38Å; F72-W103 AromaticContact CE2-CZ2 3.75Å; F72-W103 HydrophobicContact CE2-CZ2 3.75Å; I91-W103 HydrophobicContact CG2-CB 3.83Å; I91-W103 HydrophobicContact CG2-CG 4.24Å; T92-W103 HydrophobicContact CG2-CD2 3.89Å; T92-W103 HydrophobicContact CG2-CE3 3.9Å; T92-W103 HydrophobicContact CG2-CH2 3.84Å; T92-W103 HydrophobicContact CG2-CZ2 3.91Å; T92-W103 HydrophobicContact CG2-CZ3 3.86Å; Q99-W103 WeakPolarHBondContact O-CB 3.46Å; Q99-W103 PolarHBondContact O-N 3.1Å; K100-W103 PolarHBondContact O-N 2.96Å; L101-W103 VanDerWaalsContact C-N 3.3Å; L101-W103 PolarHBondContact O-N 3.44Å; W103-F105 PolarHBondContact O-N 3.18Å; W103-N106 PolarHBondContact O-N 2.83Å; W103-M107 HydrophobicContact CH2-CE 3.14Å; W103-M107 HydrophobicContact CH2-SD 4.39Å; W103-M107 HydrophobicContact CZ2-CE 3.45Å; W103-M107 VanDerWaalsContact CZ2-CE 3.45Å; W103-M107 HydrophobicContact CZ3-CE 3.83Å; W103-M107 PolarHBondContact O-N 3.21Å
104A83Confident84.4Confident17 Ų1750.2 Ų50.214%0.1427%0.273CS..Hα-helixtrans-59.8-46.2173.900000111K100 L101 N106 M107 Y108 F171K100-A104 WeakPolarHBondContact O-CB 3.06Å; K100-A104 PolarHBondContact O-N 3.44Å; L101-A104 PolarHBondContact O-N 2.7Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 3.47Å; A104-M107 WeakPolarHBondContact O-CA 3.4Å; A104-M107 VanDerWaalsContact O-CB 3.23Å; A104-M107 WeakPolarHBondContact O-CB 3.28Å; A104-M107 PolarHBondContact O-N 3.34Å; A104-Y108 WeakPolarHBondContact O-CD2 3.4Å; A104-Y108 PolarHBondContact O-N 2.82Å; A104-F171 HydrophobicContact CB-CE1 4.35Å; A104-F171 HydrophobicContact CB-CZ 4.17Å
105F86.6Confident85Confident4 Ų448.6 Ų48.62%0.01827%0.269CS..Hα-helixtrans-53.3-49.8176.7-175.7-88.1000112L101 N102 W103 M107 Y108 D109 G114 I116 L168 F171L101-F105 WeakPolarHBondContact O-CB 3.32Å; L101-F105 PolarHBondContact O-N 3.23Å; N102-F105 PolarHBondContact O-N 3.01Å; W103-F105 PolarHBondContact O-N 3.18Å; F105-M107 PolarHBondContact O-N 3.5Å; F105-M107 VanDerWaalsContact O-N 3.14Å; F105-Y108 PolarHBondContact O-N 2.89Å; F105-D109 HydrophobicContact CD1-CB 4.26Å; F105-D109 HydrophobicContact CE1-CB 3.9Å; F105-D109 PolarHBondContact O-N 3.29Å; F105-G114 VanDerWaalsContact CZ-O 3.28Å; F105-G114 WeakPolarHBondContact CZ-O 3.44Å; F105-I116 HydrophobicContact CD2-CD1 3.4Å; F105-I116 HydrophobicContact CD2-CG1 4.09Å; F105-I116 HydrophobicContact CE2-CD1 3.39Å; F105-I116 HydrophobicContact CE2-CG1 3.66Å; F105-I116 HydrophobicContact CG-CD1 4.15Å; F105-I116 HydrophobicContact CZ-CD1 4.14Å; F105-I116 HydrophobicContact CZ-CG1 3.91Å; F105-L168 HydrophobicContact CB-CD1 3.68Å; F105-L168 HydrophobicContact CD1-CD1 3.83Å; F105-L168 HydrophobicContact CD2-CB 4.33Å; F105-L168 HydrophobicContact CD2-CD1 3.76Å; F105-L168 HydrophobicContact CE1-CB 4.32Å; F105-L168 HydrophobicContact CE1-CD1 4.45Å; F105-L168 VanDerWaalsContact CE2-CA 3.49Å; F105-L168 HydrophobicContact CE2-CB 4.11Å; F105-L168 HydrophobicContact CE2-CD1 4.38Å; F105-L168 HydrophobicContact CG-CD1 3.45Å; F105-L168 VanDerWaalsContact CG-CD1 3.45Å; F105-L168 HydrophobicContact CZ-CB 4.1Å; F105-F171 HydrophobicContact CB-CD1 4.16Å; F105-F171 HydrophobicContact CB-CE1 4.15Å; F105-F171 HydrophobicContact CD2-CB 3.75Å; F105-F171 HydrophobicContact CD2-CD1 4.05Å; F105-F171 HydrophobicContact CD2-CD2 4.18Å; F105-F171 AromaticContact CD2-CG 3.75Å; F105-F171 HydrophobicContact CD2-CG 3.75Å; F105-F171 HydrophobicContact CE2-CB 4.14Å
106N86.1Confident85.6Confident43 Ų4348.2 Ų48.223%0.2327%0.265CS..Hα-helixtrans-64.1-19.4178.3-63.2-27.4000114R70 T71 N102 W103 A104R70-N106 PolarHBondContact NH2-O 3.14Å; R70-N106 VanDerWaalsContact NH2-O 3.1Å; T71-N106 HydrophobicContact CG2-CB 4.39Å; T71-N106 WeakPolarHBondContact CG2-O 3.37Å; N102-N106 PolarHBondContact O-N 3.4Å; N102-N106 VanDerWaalsContact O-N 3.15Å; N102-N106 PolarHBondContact O-ND2 2.96Å; W103-N106 PolarHBondContact O-N 2.83Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 3.47Å
107M85Confident86.1Confident11 Ų1147.3 Ų47.35%0.05426%0.257CS..Hα-helixtrans-75.5-35.8172.4-178.6175.1-77.200111.3F64 A68 T71 W103 A104 F105 I124F64-M107 HydrophobicContact CE2-SD 3.82Å; F64-M107 HydrophobicContact CZ-CE 4.08Å; F64-M107 HydrophobicContact CZ-SD 3.87Å; A68-M107 HydrophobicContact CB-CE 4.06Å; T71-M107 VanDerWaalsContact CG2-CA 3.5Å; T71-M107 HydrophobicContact CG2-CB 3.94Å; W103-M107 HydrophobicContact CH2-CE 3.14Å; W103-M107 HydrophobicContact CH2-SD 4.39Å; W103-M107 HydrophobicContact CZ2-CE 3.45Å; W103-M107 VanDerWaalsContact CZ2-CE 3.45Å; W103-M107 HydrophobicContact CZ3-CE 3.83Å; W103-M107 PolarHBondContact O-N 3.21Å; A104-M107 WeakPolarHBondContact O-CA 3.4Å; A104-M107 VanDerWaalsContact O-CB 3.23Å; A104-M107 WeakPolarHBondContact O-CB 3.28Å; A104-M107 PolarHBondContact O-N 3.34Å; F105-M107 PolarHBondContact O-N 3.5Å; F105-M107 VanDerWaalsContact O-N 3.14Å; M107-I124 WeakPolarHBondContact O-CD1 3.39Å
108Y85.9Confident86.5Confident5 Ų546.7 Ų46.72%0.0225%0.252CS..Hα-helixtrans-81.9-39.1178-72.9-83.7000113.2A104 F105 L110 I116 E120 M121 I124 L185A104-Y108 WeakPolarHBondContact O-CD2 3.4Å; A104-Y108 PolarHBondContact O-N 2.82Å; F105-Y108 PolarHBondContact O-N 2.89Å; Y108-L110 PolarHBondContact O-N 2.85Å; Y108-I116 HydrophobicContact CG-CD1 4.41Å; Y108-E120 WeakPolarHBondContact O-CB 3.39Å; Y108-M121 HydrophobicContact CD1-CG 4.28Å; Y108-M121 HydrophobicContact CE1-CG 4.48Å; Y108-I124 HydrophobicContact CD1-CB 3.83Å; Y108-I124 HydrophobicContact CD1-CG1 4.09Å; Y108-I124 HydrophobicContact CD1-CG2 3.78Å; Y108-I124 HydrophobicContact CE1-CB 3.85Å; Y108-I124 HydrophobicContact CE1-CG2 3.39Å; Y108-L185 HydrophobicContact CD2-CD2 4.1Å; Y108-L185 HydrophobicContact CE1-CD2 3.98Å; Y108-L185 HydrophobicContact CE2-CB 4.27Å; Y108-L185 HydrophobicContact CE2-CD2 3.39Å; Y108-L185 HydrophobicContact CE2-CG 4.39Å; Y108-L185 WeakPolarHBondContact OH-CD2 3.27Å
109D88.9Confident86.9Confident6 Ų647.3 Ų47.33%0.03226%0.262CS..  trans-70.6105.4175.3172.6-0.2000109.1R70 F105 G112 D113 G114 I116R70-D109 PolarHBondContact NH2-O 2.91Å; F105-D109 HydrophobicContact CD1-CB 4.26Å; F105-D109 HydrophobicContact CE1-CB 3.9Å; F105-D109 PolarHBondContact O-N 3.29Å; D109-G112 WeakPolarHBondContact OD1-CA 3.25Å; D109-G112 PolarHBondContact OD1-N 2.87Å; D109-G112 WeakPolarHBondContact OD2-CA 3.33Å; D109-D113 PolarHBondContact OD1-N 2.89Å; D109-G114 VanDerWaalsContact OD2-CA 3.3Å; D109-G114 WeakPolarHBondContact OD2-CA 3.24Å; D109-G114 PolarHBondContact OD2-N 3.26Å; D109-I116 HydrophobicContact CB-CG1 4.18Å
110L85.9Confident87.2Confident32 Ų3243.4 Ų43.417%0.16824%0.244CC..SBendtrans-86.8-35.3-169.4-63.7-177.9000114.1H67 R70 Y108 E120 E123 I124H67-L110 VanDerWaalsContact ND1-CD2 3.32Å; H67-L110 WeakPolarHBondContact ND1-CD2 3.38Å; R70-L110 VanDerWaalsContact NH1-C 3.32Å; R70-L110 VanDerWaalsContact NH1-CD2 3.3Å; R70-L110 PolarHBondContact NH1-O 3.47Å; Y108-L110 PolarHBondContact O-N 2.85Å; L110-E120 WeakPolarHBondContact CA-OE1 3.28Å; L110-E120 HydrophobicContact CB-CB 4.41Å; L110-E120 HydrophobicContact CB-CG 3.87Å; L110-E120 WeakPolarHBondContact CB-OE1 3.37Å; L110-E120 HydrophobicContact CD1-CB 4.03Å; L110-E120 HydrophobicContact CD1-CG 3.96Å; L110-E120 HydrophobicContact CG-CB 3.9Å; L110-E120 HydrophobicContact CG-CG 3.88Å; L110-E120 PolarHBondContact N-OE1 3.43Å; L110-E123 HydrophobicContact CD1-CB 4.1Å; L110-E123 HydrophobicContact CD1-CG 4.17Å; L110-E123 WeakPolarHBondContact CD1-OE1 3.44Å; L110-I124 HydrophobicContact CD2-CD1 3.83Å; L110-I124 HydrophobicContact CD2-CG1 4.22Å
111D87Confident87.5Confident111 Ų11140.5 Ų40.559%0.59423%0.231SC*.SBendtrans-92.6-9.5179.565.212.4000113.2D113 E120D111-D113 VanDerWaalsContact C-N 3.34Å; D111-D113 VanDerWaalsContact OD1-CB 3.25Å; D111-D113 WeakPolarHBondContact OD1-CB 3.27Å; D111-D113 VanDerWaalsContact OD1-CG 3.28Å; D111-D113 PolarHBondContact OD1-N 3.36Å; D111-E120 PolarHBondContact N-OE1 3.1Å
112G85.3Confident87.7Confident59 Ų5942.3 Ų42.361%0.60824%0.241SC*.  trans76.322178.300000112.8D109 G114D109-G112 WeakPolarHBondContact OD1-CA 3.25Å; D109-G112 PolarHBondContact OD1-N 2.87Å; D109-G112 WeakPolarHBondContact OD2-CA 3.33Å; G112-G114 PolarHBondContact O-N 2.96Å
113D88.5Confident87.8Confident83 Ų8342.7 Ų42.744%0.44424%0.241SC..SBendtrans-76.4-4.1-179.885.3-15000113.3D109 D111 K115D109-D113 PolarHBondContact OD1-N 2.89Å; D111-D113 VanDerWaalsContact C-N 3.34Å; D111-D113 VanDerWaalsContact OD1-CB 3.25Å; D111-D113 WeakPolarHBondContact OD1-CB 3.27Å; D111-D113 VanDerWaalsContact OD1-CG 3.28Å; D111-D113 PolarHBondContact OD1-N 3.36Å; D113-K115 WeakPolarHBondContact OD1-CA 3.38Å; D113-K115 VanDerWaalsContact OD1-CB 3.28Å; D113-K115 WeakPolarHBondContact OD1-CB 3.43Å; D113-K115 PolarHBondContact OD1-N 2.93Å
114G89.3Confident87.9Confident35 Ų3540.4 Ų40.436%0.36123%0.232SC..SBendtrans84.514.9-179.300000113.4F105 D109 G112F105-G114 VanDerWaalsContact CZ-O 3.28Å; F105-G114 WeakPolarHBondContact CZ-O 3.44Å; D109-G114 VanDerWaalsContact OD2-CA 3.3Å; D109-G114 WeakPolarHBondContact OD2-CA 3.24Å; D109-G114 PolarHBondContact OD2-N 3.26Å; G112-G114 PolarHBondContact O-N 2.96Å
115K91.9Very high87.8Confident78 Ų7840 Ų4034%0.33923%0.228SC..EExtended strand (participates in β ladder)trans-136.5156.9178.3-53.9-176.4-175.2-174.50109.8D113 Q165 I166D113-K115 WeakPolarHBondContact OD1-CA 3.38Å; D113-K115 VanDerWaalsContact OD1-CB 3.28Å; D113-K115 WeakPolarHBondContact OD1-CB 3.43Å; D113-K115 PolarHBondContact OD1-N 2.93Å; K115-Q165 HydrophobicContact CB-CB 4.3Å; K115-Q165 HydrophobicContact CD-CB 4.2Å; K115-Q165 HydrophobicContact CD-CG 4.25Å; K115-I166 WeakPolarHBondContact CA-O 3.5Å
116I91.1Very high87.5Confident0 Ų043.7 Ų43.70%025%0.245CC..EExtended strand (participates in β ladder)trans-115.5115.4174.8-57.8161.9000107.9F105 Y108 D109 M121 F155 Q165 I166 F171F105-I116 HydrophobicContact CD2-CD1 3.4Å; F105-I116 HydrophobicContact CD2-CG1 4.09Å; F105-I116 HydrophobicContact CE2-CD1 3.39Å; F105-I116 HydrophobicContact CE2-CG1 3.66Å; F105-I116 HydrophobicContact CG-CD1 4.15Å; F105-I116 HydrophobicContact CZ-CD1 4.14Å; F105-I116 HydrophobicContact CZ-CG1 3.91Å; Y108-I116 HydrophobicContact CG-CD1 4.41Å; D109-I116 HydrophobicContact CB-CG1 4.18Å; I116-M121 HydrophobicContact CG2-CB 4.02Å; I116-M121 HydrophobicContact CG2-CE 4.01Å; I116-F155 WeakPolarHBondContact O-CZ 3.4Å; I116-Q165 CarbonylContact O-C 3.55Å; I116-Q165 WeakPolarHBondContact O-CA 3.49Å; I116-I166 HydrophobicContact CB-CB 4.27Å; I116-I166 PolarHBondContact N-O 2.78Å; I116-I166 PolarHBondContact O-N 2.73Å; I116-F171 HydrophobicContact CD1-CD2 4.01Å; I116-F171 HydrophobicContact CD1-CE2 4.24Å
117T92.1Very high87.3Confident40 Ų4041.6 Ų41.625%0.24523%0.234CC..EExtended strand (participates in β ladder)trans-85.2161.6172.866.50000111.2V119 E120 M121 F155 Q165T117-V119 PolarHBondContact O-N 2.79Å; T117-E120 WeakPolarHBondContact CB-OE2 3.48Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.18Å; T117-E120 PolarHBondContact N-OE2 3.14Å; T117-E120 PolarHBondContact O-N 2.79Å; T117-E120 VanDerWaalsContact OG1-CD 3.3Å; T117-E120 WeakPolarHBondContact OG1-CG 3.38Å; T117-E120 PolarHBondContact OG1-N 2.74Å; T117-E120 PolarHBondContact OG1-OE2 3.38Å; T117-M121 PolarHBondContact O-N 3.28Å; T117-F155 VanDerWaalsContact C-CZ 3.49Å; T117-Q165 HydrophobicContact CG2-CG 4.16Å
118R90.1Very high86.9Confident86 Ų8642 Ų4233%0.32524%0.235SC..Hα-helixtrans-56.8-37.1176.4-68.5174.8174.7-101.94.2112.8L122 V151 D152 F155 D164R118-L122 VanDerWaalsContact O-CB 3.29Å; R118-L122 WeakPolarHBondContact O-CB 3.41Å; R118-L122 PolarHBondContact O-N 3.3Å; R118-V151 HydrophobicContact CB-CG1 4.28Å; R118-V151 HydrophobicContact CG-CG1 4.41Å; R118-D152 IonicContact CZ-OD1 3.76Å; R118-D152 IonicContact NH1-OD1 3.38Å; R118-D152 PolarHBondContact NH1-OD1 3.4Å; R118-F155 HydrophobicContact CB-CE2 4.3Å; R118-F155 HydrophobicContact CB-CZ 4.21Å; R118-F155 HydrophobicContact CG-CD1 3.79Å; R118-F155 HydrophobicContact CG-CD2 4Å; R118-F155 HydrophobicContact CG-CE1 3.6Å; R118-F155 HydrophobicContact CG-CE2 3.81Å; R118-F155 HydrophobicContact CG-CG 3.99Å; R118-F155 HydrophobicContact CG-CZ 3.62Å; R118-F155 VanDerWaalsContact N-CZ 3.31Å; R118-D164 IonicContact CZ-OD1 2.71Å; R118-D164 VanDerWaalsContact CZ-OD1 3.26Å; R118-D164 IonicContact NE-OD1 2.89Å; R118-D164 PolarHBondContact NE-OD1 3.17Å; R118-D164 IonicContact NH2-OD1 3.72Å; R118-D164 PolarHBondContact NH2-OD1 2.73Å
119V90.8Very high86.4Confident113 Ų11344 Ų4469%0.68524%0.244SC*.Hα-helixtrans-66.1-44.4-178.9-179.40000110.2T117 L122 E123T117-V119 PolarHBondContact O-N 2.79Å; V119-L122 PolarHBondContact O-N 2.94Å; V119-E123 PolarHBondContact O-N 3.35Å
120E90.4Very high85.8Confident13 Ų1348.6 Ų48.66%0.06126%0.263CS..Hα-helixtrans-67.3-43.5179.3-67.1172.1120.700112Y108 L110 D111 T117 L122 E123 I124Y108-E120 WeakPolarHBondContact O-CB 3.39Å; L110-E120 WeakPolarHBondContact CA-OE1 3.28Å; L110-E120 HydrophobicContact CB-CB 4.41Å; L110-E120 HydrophobicContact CB-CG 3.87Å; L110-E120 WeakPolarHBondContact CB-OE1 3.37Å; L110-E120 HydrophobicContact CD1-CB 4.03Å; L110-E120 HydrophobicContact CD1-CG 3.96Å; L110-E120 HydrophobicContact CG-CB 3.9Å; L110-E120 HydrophobicContact CG-CG 3.88Å; L110-E120 PolarHBondContact N-OE1 3.43Å; D111-E120 PolarHBondContact N-OE1 3.1Å; T117-E120 WeakPolarHBondContact CB-OE2 3.48Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.18Å; T117-E120 PolarHBondContact N-OE2 3.14Å; T117-E120 PolarHBondContact O-N 2.79Å; T117-E120 VanDerWaalsContact OG1-CD 3.3Å; T117-E120 WeakPolarHBondContact OG1-CG 3.38Å; T117-E120 PolarHBondContact OG1-N 2.74Å; T117-E120 PolarHBondContact OG1-OE2 3.38Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3Å; E120-E123 PolarHBondContact O-N 3.27Å; E120-I124 PolarHBondContact O-N 3.01Å; E120-I124 VanDerWaalsContact O-N 3.14Å
121M87.9Confident85.2Confident0 Ų047.4 Ų47.40%026%0.257CS..Hα-helixtrans-62-42175.6-172.1172.5-73.500111.8Y108 I116 T117 I124 I125 V151 I154 F155 I166Y108-M121 HydrophobicContact CD1-CG 4.28Å; Y108-M121 HydrophobicContact CE1-CG 4.48Å; I116-M121 HydrophobicContact CG2-CB 4.02Å; I116-M121 HydrophobicContact CG2-CE 4.01Å; T117-M121 PolarHBondContact O-N 3.28Å; M121-I124 PolarHBondContact O-N 3.39Å; M121-I125 HydrophobicContact CG-CD1 3.89Å; M121-I125 HydrophobicContact CG-CG1 4.46Å; M121-I125 WeakPolarHBondContact O-CB 3.25Å; M121-I125 VanDerWaalsContact O-CG1 3.29Å; M121-I125 WeakPolarHBondContact O-CG1 3.29Å; M121-I125 PolarHBondContact O-N 3.26Å; M121-V151 HydrophobicContact CB-CG1 4.36Å; M121-V151 HydrophobicContact CB-CG2 4.47Å; M121-V151 HydrophobicContact CG-CG1 4.44Å; M121-V151 HydrophobicContact CG-CG2 4.15Å; M121-V151 HydrophobicContact SD-CG1 4.28Å; M121-I154 HydrophobicContact CE-CG2 3.73Å; M121-I154 HydrophobicContact SD-CB 3.87Å; M121-I154 HydrophobicContact SD-CD1 3.96Å; M121-I154 HydrophobicContact SD-CG2 3.54Å; M121-I154 VanDerWaalsContact SD-CG2 3.54Å; M121-F155 HydrophobicContact CB-CE2 3.96Å; M121-F155 HydrophobicContact CE-CD2 4.44Å; M121-F155 HydrophobicContact CE-CE2 3.86Å; M121-F155 HydrophobicContact CG-CE2 4.38Å; M121-F155 HydrophobicContact SD-CD2 3.88Å; M121-F155 HydrophobicContact SD-CE2 3.58Å; M121-F155 VanDerWaalsContact SD-CE2 3.58Å; M121-I166 HydrophobicContact CE-CD1 3.55Å
122L87Confident84.2Confident44 Ų4443.3 Ų43.323%0.2324%0.236CC..Hα-helixtrans-61.5-45.5176.6-176.562.1000111.2R118 V119 E120 I124 I125 E126 P147 E148 V151R118-L122 VanDerWaalsContact O-CB 3.29Å; R118-L122 WeakPolarHBondContact O-CB 3.41Å; R118-L122 PolarHBondContact O-N 3.3Å; V119-L122 PolarHBondContact O-N 2.94Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3Å; L122-I124 VanDerWaalsContact C-N 3.34Å; L122-I124 PolarHBondContact O-N 2.99Å; L122-I125 PolarHBondContact O-N 2.96Å; L122-E126 HydrophobicContact CD1-CG 4.23Å; L122-E126 HydrophobicContact CG-CG 4.35Å; L122-E126 WeakPolarHBondContact O-CB 3.29Å; L122-E126 WeakPolarHBondContact O-CG 3.48Å; L122-E126 PolarHBondContact O-N 2.76Å; L122-P147 HydrophobicContact CD1-CB 3.75Å; L122-E148 HydrophobicContact CD1-CG 3.98Å; L122-E148 HydrophobicContact CD2-CG 4.17Å; L122-V151 HydrophobicContact CB-CG2 4.03Å; L122-V151 HydrophobicContact CD1-CG2 4Å
123E88Confident83.1Confident69 Ų6941.3 Ų41.332%0.32222%0.215SC..Hα-helixtrans-59.8-43.1-179.7-179.8160.2100.500112.2K63 H67 L110 V119 E120 A127K63-E123 IonicContact NZ-OE2 2.69Å; H67-E123 IonicContact CE1-OE1 2.82Å; H67-E123 PolarHBondContact CE1-OE1 3.23Å; H67-E123 VanDerWaalsContact CE1-OE1 3.28Å; H67-E123 IonicContact NE2-OE1 3.78Å; L110-E123 HydrophobicContact CD1-CB 4.1Å; L110-E123 HydrophobicContact CD1-CG 4.17Å; L110-E123 WeakPolarHBondContact CD1-OE1 3.44Å; V119-E123 PolarHBondContact O-N 3.35Å; E120-E123 PolarHBondContact O-N 3.27Å; E123-A127 WeakPolarHBondContact O-CB 3.18Å; E123-A127 PolarHBondContact O-N 2.96Å
124I84.6Confident81.3Confident0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-66.2-45175.6-65.5-56.1000111.7H67 M107 Y108 L110 E120 M121 L122 E126 A127 I128H67-I124 HydrophobicContact CB-CD1 3.66Å; H67-I124 VanDerWaalsContact CD2-CD1 3.42Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.45Å; M107-I124 WeakPolarHBondContact O-CD1 3.39Å; Y108-I124 HydrophobicContact CD1-CB 3.83Å; Y108-I124 HydrophobicContact CD1-CG1 4.09Å; Y108-I124 HydrophobicContact CD1-CG2 3.78Å; Y108-I124 HydrophobicContact CE1-CB 3.85Å; Y108-I124 HydrophobicContact CE1-CG2 3.39Å; L110-I124 HydrophobicContact CD2-CD1 3.83Å; L110-I124 HydrophobicContact CD2-CG1 4.22Å; E120-I124 PolarHBondContact O-N 3.01Å; E120-I124 VanDerWaalsContact O-N 3.14Å; M121-I124 PolarHBondContact O-N 3.39Å; L122-I124 VanDerWaalsContact C-N 3.34Å; L122-I124 PolarHBondContact O-N 2.99Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 2.88Å; I124-A127 WeakPolarHBondContact O-CB 3.41Å; I124-A127 PolarHBondContact O-N 3.24Å; I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 HydrophobicContact CG2-CG1 4.39Å; I124-I128 VanDerWaalsContact O-CG1 3.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.46Å; I124-I128 PolarHBondContact O-N 3.15Å
125I80.4Confident79.4Confident9 Ų945.4 Ų45.45%0.04624%0.236CC..Hα-helixtrans-61.4-44.1178.7-71176.1000110.1M121 L122 A127 I128 Y129 P147 R150 V151 I154M121-I125 HydrophobicContact CG-CD1 3.89Å; M121-I125 HydrophobicContact CG-CG1 4.46Å; M121-I125 WeakPolarHBondContact O-CB 3.25Å; M121-I125 VanDerWaalsContact O-CG1 3.29Å; M121-I125 WeakPolarHBondContact O-CG1 3.29Å; M121-I125 PolarHBondContact O-N 3.26Å; L122-I125 PolarHBondContact O-N 2.96Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.35Å; I125-I128 PolarHBondContact O-N 3.5Å; I125-Y129 HydrophobicContact CG2-CD2 3.76Å; I125-Y129 HydrophobicContact CG2-CE2 3.5Å; I125-Y129 VanDerWaalsContact CG2-CE2 3.5Å; I125-Y129 WeakPolarHBondContact O-CD2 3.43Å; I125-Y129 PolarHBondContact O-N 2.81Å; I125-P147 HydrophobicContact CG2-CB 4.01Å; I125-R150 HydrophobicContact CD1-CG 4.46Å; I125-V151 HydrophobicContact CD1-CG2 3.71Å; I125-I154 HydrophobicContact CD1-CD1 3.99Å
126E81.8Confident77.6Confident80 Ų8044 Ų4437%0.37423%0.232SC..Hα-helixtrans-61.5-40.7174.9-73.7-166.5139.900112.6L122 I124 Y129 K130 P147L122-E126 HydrophobicContact CD1-CG 4.23Å; L122-E126 HydrophobicContact CG-CG 4.35Å; L122-E126 WeakPolarHBondContact O-CB 3.29Å; L122-E126 WeakPolarHBondContact O-CG 3.48Å; L122-E126 PolarHBondContact O-N 2.76Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 2.88Å; E126-Y129 PolarHBondContact O-N 3.31Å; E126-K130 WeakPolarHBondContact O-CG 3.44Å; E126-K130 PolarHBondContact O-N 3.45Å; E126-P147 HydrophobicContact CG-CB 4.39Å
127A82Confident75.7Confident0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-62.5-42.7176.500000111.6K63 F64 E123 I124 I125 K130 M131K63-A127 HydrophobicContact CB-CB 3.8Å; F64-A127 HydrophobicContact CB-CB 4.33Å; E123-A127 WeakPolarHBondContact O-CB 3.18Å; E123-A127 PolarHBondContact O-N 2.96Å; I124-A127 WeakPolarHBondContact O-CB 3.41Å; I124-A127 PolarHBondContact O-N 3.24Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.35Å; A127-K130 PolarHBondContact O-N 3.42Å; A127-M131 VanDerWaalsContact O-CB 3.3Å; A127-M131 WeakPolarHBondContact O-CB 3.42Å; A127-M131 PolarHBondContact O-N 3.3Å
128I76.9Confident73.6Confident18 Ų1853.7 Ų53.79%0.09228%0.277CS..Hα-helixtrans-63.1-45.1174.3-66.7167.1000110.2F64 I124 I125 K130 M131 V132 C187F64-I128 HydrophobicContact CD2-CG1 3.64Å; F64-I128 HydrophobicContact CE2-CD1 4.23Å; F64-I128 HydrophobicContact CE2-CG1 3.74Å; I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 HydrophobicContact CG2-CG1 4.39Å; I124-I128 VanDerWaalsContact O-CG1 3.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.46Å; I124-I128 PolarHBondContact O-N 3.15Å; I125-I128 PolarHBondContact O-N 3.5Å; I128-K130 VanDerWaalsContact C-N 3.28Å; I128-K130 PolarHBondContact O-N 2.91Å; I128-M131 PolarHBondContact O-N 2.95Å; I128-M131 VanDerWaalsContact O-N 3.15Å; I128-V132 HydrophobicContact CG2-CG2 4.04Å; I128-V132 VanDerWaalsContact O-CG2 3.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.4Å; I128-V132 PolarHBondContact O-N 2.98Å; I128-C187 HydrophobicContact CG2-CB 4.25Å; I128-C187 WeakPolarHBondContact CG2-SG 3.19Å
129Y74.3Confident71.6Confident49 Ų4956.2 Ų56.219%0.19229%0.291CS..Hα-helixtrans-59-40.4178.7-88.5-125.5000112I125 E126 G133 M137 P147 R150I125-Y129 HydrophobicContact CG2-CD2 3.76Å; I125-Y129 HydrophobicContact CG2-CE2 3.5Å; I125-Y129 VanDerWaalsContact CG2-CE2 3.5Å; I125-Y129 WeakPolarHBondContact O-CD2 3.43Å; I125-Y129 PolarHBondContact O-N 2.81Å; E126-Y129 PolarHBondContact O-N 3.31Å; Y129-G133 PolarHBondContact O-N 2.96Å; Y129-M137 HydrophobicContact CD1-CE 4.06Å; Y129-M137 HydrophobicContact CD1-CG 4.41Å; Y129-M137 HydrophobicContact CE1-CE 4.05Å; Y129-M137 HydrophobicContact CE1-CG 4.35Å; Y129-P147 HydrophobicContact CD1-CG 4.04Å; Y129-P147 HydrophobicContact CE1-CG 3.94Å; Y129-R150 PolarHBondContact OH-NE 3.25Å; Y129-R150 PolarHBondContact OH-NH1 3.07Å
130K77.5Confident69.7Low101 Ų10154 Ų5444%0.43927%0.273SS..Hα-helixtrans-69.2-39.7175.2-73.3179.3-177.3178.30112.8G59 D60 E126 A127 I128G59-K130 WeakPolarHBondContact CA-O 3.42Å; D60-K130 HydrophobicContact CB-CB 4.33Å; D60-K130 PolarHBondContact N-O 3.06Å; D60-K130 CarbonylContact O-C 3.3Å; E126-K130 WeakPolarHBondContact O-CG 3.44Å; E126-K130 PolarHBondContact O-N 3.45Å; A127-K130 PolarHBondContact O-N 3.42Å; I128-K130 VanDerWaalsContact C-N 3.28Å; I128-K130 PolarHBondContact O-N 2.91Å
131M72Confident67.9Low7 Ų755 Ų553%0.03428%0.279CS..Hα-helixtrans-67-43.7-178.3175.2-179.6178.100113Y52 F56 G59 D60 A61 F64 A127 I128 G133Y52-M131 HydrophobicContact CD1-CE 3.72Å; Y52-M131 HydrophobicContact CE1-CE 3.85Å; F56-M131 HydrophobicContact CB-CE 4.45Å; F56-M131 HydrophobicContact CD1-CE 3.84Å; F56-M131 HydrophobicContact CD2-CE 3.15Å; F56-M131 HydrophobicContact CE1-CE 3.81Å; F56-M131 HydrophobicContact CE2-CE 3.11Å; F56-M131 HydrophobicContact CG-CE 3.53Å; F56-M131 HydrophobicContact CG-CG 4.34Å; F56-M131 HydrophobicContact CZ-CE 3.46Å; F56-M131 VanDerWaalsContact CZ-CE 3.46Å; G59-M131 WeakPolarHBondContact CA-O 3.46Å; D60-M131 WeakPolarHBondContact O-CA 3.46Å; D60-M131 PolarHBondContact O-N 3.42Å; A61-M131 HydrophobicContact CB-CB 4.45Å; A61-M131 HydrophobicContact CB-CE 4.44Å; A61-M131 HydrophobicContact CB-CG 3.81Å; A61-M131 HydrophobicContact CB-SD 4.38Å; F64-M131 HydrophobicContact CB-CB 4.33Å; F64-M131 HydrophobicContact CB-SD 3.61Å; F64-M131 HydrophobicContact CD1-CE 3.94Å; F64-M131 HydrophobicContact CD1-SD 3.25Å; F64-M131 WeakPolarHBondContact CD1-SD 3.18Å; F64-M131 HydrophobicContact CD2-SD 4.17Å; F64-M131 HydrophobicContact CE1-CE 4.28Å; F64-M131 HydrophobicContact CE1-SD 3.94Å; F64-M131 HydrophobicContact CG-SD 3.39Å; F64-M131 WeakPolarHBondContact CG-SD 3.37Å; A127-M131 VanDerWaalsContact O-CB 3.3Å; A127-M131 WeakPolarHBondContact O-CB 3.42Å; A127-M131 PolarHBondContact O-N 3.3Å; I128-M131 PolarHBondContact O-N 2.95Å; I128-M131 VanDerWaalsContact O-N 3.15Å; M131-G133 VanDerWaalsContact C-N 3.33Å
132V65.7Low66.2Low25 Ų2563.9 Ų63.915%0.15232%0.321CS..Hα-helixtrans-86.6-14-172.6-164.70000111.8I128 I136 L189I128-V132 HydrophobicContact CG2-CG2 4.04Å; I128-V132 VanDerWaalsContact O-CG2 3.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.4Å; I128-V132 PolarHBondContact O-N 2.98Å; V132-I136 HydrophobicContact CB-CB 4.3Å; V132-I136 HydrophobicContact CG1-CB 3.3Å; V132-I136 HydrophobicContact CG1-CD1 3.05Å; V132-I136 HydrophobicContact CG1-CG1 3.34Å; V132-I136 HydrophobicContact CG1-CG2 3.83Å; V132-L189 HydrophobicContact CG1-CD2 3.64Å; V132-L189 HydrophobicContact CG2-CD2 4.07Å
133G62Low64.8Low17 Ų1767.1 Ų67.118%0.17534%0.339CS..Hα-helixtrans69.4167.817800000113.1Y129 M131 V135 I136Y129-G133 PolarHBondContact O-N 2.96Å; M131-G133 VanDerWaalsContact C-N 3.33Å; G133-V135 PolarHBondContact O-N 3.39Å; G133-I136 PolarHBondContact O-N 3.19Å
134T52.1Low63.5Low102 Ų10266.5 Ų66.563%0.62635%0.351SS*.Hα-helixtrans-55.3-18.3-175.411.80000114.8M137 M138T134-M137 HydrophobicContact CG2-SD 4.19Å; T134-M137 VanDerWaalsContact O-CB 3.28Å; T134-M137 WeakPolarHBondContact O-CB 3.41Å; T134-M137 PolarHBondContact O-N 2.87Å; T134-M138 PolarHBondContact O-N 2.91Å
135V49.2Very low62.7Low103 Ų10368.4 Ų68.462%0.62436%0.361SS*.Hα-helixtrans-75.2-37.6-175.4-179.10000112.8G133G133-V135 PolarHBondContact O-N 3.39Å
136I53.4Low62.6Low47 Ų4770.7 Ų70.724%0.24138%0.375CS..Hα-helixtrans-82.1-25.8171.5-62.9-167.5000110.5V132 G133 M138 K139 M140 L189V132-I136 HydrophobicContact CB-CB 4.3Å; V132-I136 HydrophobicContact CG1-CB 3.3Å; V132-I136 HydrophobicContact CG1-CD1 3.05Å; V132-I136 HydrophobicContact CG1-CG1 3.34Å; V132-I136 HydrophobicContact CG1-CG2 3.83Å; G133-I136 PolarHBondContact O-N 3.19Å; I136-M138 PolarHBondContact O-N 2.97Å; I136-K139 CarbonylContact O-C 3.43Å; I136-K139 PolarHBondContact O-N 3.36Å; I136-M140 HydrophobicContact CG2-CB 4.32Å; I136-M140 HydrophobicContact CG2-CE 4.05Å; I136-M140 HydrophobicContact CG2-CG 3.59Å; I136-M140 HydrophobicContact CG2-SD 3.5Å; I136-M140 WeakPolarHBondContact CG2-SD 3.28Å; I136-M140 WeakPolarHBondContact O-CB 3.37Å; I136-M140 PolarHBondContact O-N 2.95Å; I136-L189 HydrophobicContact CD1-CD2 3.59Å
137M50.7Low62.4Low82 Ų8268.1 Ų68.140%0.40437%0.365SS..Hα-helixtrans-52.5-42.9168.7-152.9-172.7-176.100111.2Y129 T134 K139 N141Y129-M137 HydrophobicContact CD1-CE 4.06Å; Y129-M137 HydrophobicContact CD1-CG 4.41Å; Y129-M137 HydrophobicContact CE1-CE 4.05Å; Y129-M137 HydrophobicContact CE1-CG 4.35Å; T134-M137 HydrophobicContact CG2-SD 4.19Å; T134-M137 VanDerWaalsContact O-CB 3.28Å; T134-M137 WeakPolarHBondContact O-CB 3.41Å; T134-M137 PolarHBondContact O-N 2.87Å; M137-K139 VanDerWaalsContact C-N 3.3Å; M137-K139 PolarHBondContact O-N 2.84Å; M137-N141 VanDerWaalsContact O-CB 3.24Å; M137-N141 WeakPolarHBondContact O-CB 3.25Å; M137-N141 PolarHBondContact O-N 3.38Å
138M48.2Very low62.4Low163 Ų16373.7 Ų73.780%0.80339%0.391SS*.Hα-helixtrans-68.6-21.4176.2-71.4-176.6168.900114.9T134 I136T134-M138 PolarHBondContact O-N 2.91Å; I136-M138 PolarHBondContact O-N 2.97Å
139K49.7Very low62.7Low138 Ų13877.3 Ų77.360%0.641%0.408SS*.Hα-helixtrans-98.4-28.4179.5-73.2-177.8177.7169.90113.6I136 M137I136-K139 CarbonylContact O-C 3.43Å; I136-K139 PolarHBondContact O-N 3.36Å; M137-K139 VanDerWaalsContact C-N 3.3Å; M137-K139 PolarHBondContact O-N 2.84Å
140M50.6Low62.9Low66 Ų6676.5 Ų76.533%0.32540%0.404SS..Hα-helixtrans-94-17.4178.5-77.8-174.2165.300113.2I136 R150I136-M140 HydrophobicContact CG2-CB 4.32Å; I136-M140 HydrophobicContact CG2-CE 4.05Å; I136-M140 HydrophobicContact CG2-CG 3.59Å; I136-M140 HydrophobicContact CG2-SD 3.5Å; I136-M140 WeakPolarHBondContact CG2-SD 3.28Å; I136-M140 WeakPolarHBondContact O-CB 3.37Å; I136-M140 PolarHBondContact O-N 2.95Å; M140-R150 PolarHBondContact O-NH2 2.9Å; M140-R150 VanDerWaalsContact O-NH2 3.1Å
141N52.2Low63.3Low35 Ų3572 Ų7219%0.18739%0.385CS..  trans-95.462.9167.7-87.9-8000111.1M137 L145 R150M137-N141 VanDerWaalsContact O-CB 3.24Å; M137-N141 WeakPolarHBondContact O-CB 3.25Å; M137-N141 PolarHBondContact O-N 3.38Å; N141-L145 PolarHBondContact ND2-O 3.27Å; N141-L145 VanDerWaalsContact ND2-O 3.1Å; N141-L145 PolarHBondContact OD1-O 3.46Å; N141-R150 PolarHBondContact OD1-NH2 3.1Å
142E51.9Low63.9Low186 Ų18675.3 Ų75.387%0.86940%0.403SS*.SBendtrans-65.4-31.2157.5-71.2-171.3105.100110.5
143D56.9Low64.8Low113 Ų11378.4 Ų78.460%0.60442%0.415SS*.SBendtrans-86.4-9.7179.1-66.4-55.6000114.7L145 K153D143-L145 VanDerWaalsContact C-N 3.26Å; D143-L145 HydrophobicContact CB-CD1 4.09Å; D143-L145 HydrophobicContact CB-CG 3.94Å; D143-L145 PolarHBondContact O-N 3.1Å; D143-K153 IonicContact OD2-NZ 3.26Å
144G62.4Low65.8Low56 Ų5678 Ų7858%0.57741%0.408SS*.  trans66.516179.500000116.5
145L67.5Low67.4Low40 Ų4073.2 Ų73.221%0.20938%0.379CS..  trans-75.4143.7-174.6-61.3173.8000112.8N141 D143 Q149 K153N141-L145 PolarHBondContact ND2-O 3.27Å; N141-L145 VanDerWaalsContact ND2-O 3.1Å; N141-L145 PolarHBondContact OD1-O 3.46Å; D143-L145 VanDerWaalsContact C-N 3.26Å; D143-L145 HydrophobicContact CB-CD1 4.09Å; D143-L145 HydrophobicContact CB-CG 3.94Å; D143-L145 PolarHBondContact O-N 3.1Å; L145-Q149 HydrophobicContact CB-CB 4.17Å; L145-Q149 HydrophobicContact CD2-CB 4.05Å; L145-K153 HydrophobicContact CD1-CD 4.03Å
146T78.2Confident69.2Low57 Ų5772.8 Ų72.835%0.3538%0.381SS..  trans-71.4160167.356.50000111E148 Q149 R150T146-E148 PolarHBondContact O-N 2.64Å; T146-Q149 PolarHBondContact O-N 3.21Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.48Å; T146-Q149 VanDerWaalsContact OG1-CD 3.3Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.17Å; T146-Q149 PolarHBondContact OG1-N 3.41Å; T146-Q149 PolarHBondContact OG1-OE1 3.29Å; T146-R150 PolarHBondContact O-N 3.1Å
147P76.5Confident70.6Confident25 Ų2575 Ų7516%0.16239%0.388CS..Hα-helixtrans-51.2-43.8172.9-28.736.7000112.9L122 I125 E126 Y129 R150 V151L122-P147 HydrophobicContact CD1-CB 3.75Å; I125-P147 HydrophobicContact CG2-CB 4.01Å; E126-P147 HydrophobicContact CG-CB 4.39Å; Y129-P147 HydrophobicContact CD1-CG 4.04Å; Y129-P147 HydrophobicContact CE1-CG 3.94Å; P147-R150 WeakPolarHBondContact O-CB 3.47Å; P147-R150 PolarHBondContact O-N 3.46Å; P147-V151 WeakPolarHBondContact O-CG2 3.46Å; P147-V151 PolarHBondContact O-N 3.14Å
148E83.5Confident72.3Confident118 Ų11871.1 Ų71.155%0.55137%0.369SS*.Hα-helixtrans-62.4-47.9179-63.9147.7115.600111.7L122 T146 R150 V151 D152L122-E148 HydrophobicContact CD1-CG 3.98Å; L122-E148 HydrophobicContact CD2-CG 4.17Å; T146-E148 PolarHBondContact O-N 2.64Å; E148-R150 PolarHBondContact O-N 2.73Å; E148-V151 WeakPolarHBondContact O-CB 3.32Å; E148-V151 PolarHBondContact O-N 3.06Å; E148-V151 VanDerWaalsContact O-N 3.1Å; E148-D152 PolarHBondContact O-N 3.29Å
149Q82.4Confident74.2Confident93 Ų9363.9 Ų63.944%0.43533%0.334SS..Hα-helixtrans-63.8-30176.8-71.8170.5-41.500112.7L145 T146 K153L145-Q149 HydrophobicContact CB-CB 4.17Å; L145-Q149 HydrophobicContact CD2-CB 4.05Å; T146-Q149 PolarHBondContact O-N 3.21Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.48Å; T146-Q149 VanDerWaalsContact OG1-CD 3.3Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.17Å; T146-Q149 PolarHBondContact OG1-N 3.41Å; T146-Q149 PolarHBondContact OG1-OE1 3.29Å; Q149-K153 WeakPolarHBondContact O-CB 3.36Å; Q149-K153 PolarHBondContact O-N 2.87Å
150R79.3Confident75.9Confident32 Ų3263 Ų6312%0.12133%0.33CS..Hα-helixtrans-69.8-42.5173.9-174.5174.6-75.8-165-2.1110.7I125 Y129 M140 N141 T146 P147 E148 K153 I154I125-R150 HydrophobicContact CD1-CG 4.46Å; Y129-R150 PolarHBondContact OH-NE 3.25Å; Y129-R150 PolarHBondContact OH-NH1 3.07Å; M140-R150 PolarHBondContact O-NH2 2.9Å; M140-R150 VanDerWaalsContact O-NH2 3.1Å; N141-R150 PolarHBondContact OD1-NH2 3.1Å; T146-R150 PolarHBondContact O-N 3.1Å; P147-R150 WeakPolarHBondContact O-CB 3.47Å; P147-R150 PolarHBondContact O-N 3.46Å; E148-R150 PolarHBondContact O-N 2.73Å; R150-K153 PolarHBondContact O-N 2.91Å; R150-I154 HydrophobicContact CG-CD1 4.12Å; R150-I154 VanDerWaalsContact O-CG1 3.28Å; R150-I154 WeakPolarHBondContact O-CG1 3.49Å; R150-I154 PolarHBondContact O-N 3.3Å
151V84Confident77.7Confident6 Ų664.1 Ų64.14%0.03634%0.337CS..Hα-helixtrans-58.1-49.2172.2175.90000110.2R118 M121 L122 I125 P147 E148 K153 I154 F155R118-V151 HydrophobicContact CB-CG1 4.28Å; R118-V151 HydrophobicContact CG-CG1 4.41Å; M121-V151 HydrophobicContact CB-CG1 4.36Å; M121-V151 HydrophobicContact CB-CG2 4.47Å; M121-V151 HydrophobicContact CG-CG1 4.44Å; M121-V151 HydrophobicContact CG-CG2 4.15Å; M121-V151 HydrophobicContact SD-CG1 4.28Å; L122-V151 HydrophobicContact CB-CG2 4.03Å; L122-V151 HydrophobicContact CD1-CG2 4Å; I125-V151 HydrophobicContact CD1-CG2 3.71Å; P147-V151 WeakPolarHBondContact O-CG2 3.46Å; P147-V151 PolarHBondContact O-N 3.14Å; E148-V151 WeakPolarHBondContact O-CB 3.32Å; E148-V151 PolarHBondContact O-N 3.06Å; E148-V151 VanDerWaalsContact O-N 3.1Å; V151-K153 VanDerWaalsContact C-N 3.29Å; V151-K153 PolarHBondContact O-N 3.28Å; V151-I154 PolarHBondContact O-N 2.85Å; V151-F155 HydrophobicContact CG1-CD2 3.59Å; V151-F155 HydrophobicContact CG1-CE2 3.78Å; V151-F155 WeakPolarHBondContact O-CD2 3.28Å; V151-F155 PolarHBondContact O-N 3.03Å
152D86.1Confident79.4Confident78 Ų7868.6 Ų68.642%0.41736%0.361SS..Hα-helixtrans-56.6-42.3178-76.6-40.7000112.6R118 E148 I154 S156R118-D152 IonicContact CZ-OD1 3.76Å; R118-D152 IonicContact NH1-OD1 3.38Å; R118-D152 PolarHBondContact NH1-OD1 3.4Å; E148-D152 PolarHBondContact O-N 3.29Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 3.3Å; D152-S156 WeakPolarHBondContact O-CB 3.49Å; D152-S156 PolarHBondContact O-N 3Å; D152-S156 PolarHBondContact O-OG 3.24Å
153K83.1Confident81.2Confident90 Ų9062.5 Ų62.539%0.39134%0.335SS..Hα-helixtrans-67.2-32.7177.7-170.6177.1-179.7-1790112.3D143 L145 Q149 R150 V151 S156 K157D143-K153 IonicContact OD2-NZ 3.26Å; L145-K153 HydrophobicContact CD1-CD 4.03Å; Q149-K153 WeakPolarHBondContact O-CB 3.36Å; Q149-K153 PolarHBondContact O-N 2.87Å; R150-K153 PolarHBondContact O-N 2.91Å; V151-K153 VanDerWaalsContact C-N 3.29Å; V151-K153 PolarHBondContact O-N 3.28Å; K153-S156 WeakPolarHBondContact CA-OG 3.44Å; K153-S156 PolarHBondContact O-OG 3.11Å; K153-S156 VanDerWaalsContact O-OG 3.13Å; K153-K157 WeakPolarHBondContact O-CG 3.3Å
154I82.9Confident82.7Confident8 Ų861.2 Ų61.24%0.04133%0.328CS..Hα-helixtrans-73.2-50.4175.7-67.1164.9000109.9M121 I125 R150 V151 D152 S156 K157 M158M121-I154 HydrophobicContact CE-CG2 3.73Å; M121-I154 HydrophobicContact SD-CB 3.87Å; M121-I154 HydrophobicContact SD-CD1 3.96Å; M121-I154 HydrophobicContact SD-CG2 3.54Å; M121-I154 VanDerWaalsContact SD-CG2 3.54Å; I125-I154 HydrophobicContact CD1-CD1 3.99Å; R150-I154 HydrophobicContact CG-CD1 4.12Å; R150-I154 VanDerWaalsContact O-CG1 3.28Å; R150-I154 WeakPolarHBondContact O-CG1 3.49Å; R150-I154 PolarHBondContact O-N 3.3Å; V151-I154 PolarHBondContact O-N 2.85Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 3.3Å; I154-S156 PolarHBondContact O-N 3.24Å; I154-K157 PolarHBondContact O-N 2.89Å; I154-M158 HydrophobicContact CG2-CE 3.6Å; I154-M158 HydrophobicContact CG2-CG 3.94Å; I154-M158 HydrophobicContact CG2-SD 3.44Å; I154-M158 WeakPolarHBondContact CG2-SD 3.44Å; I154-M158 WeakPolarHBondContact O-CB 3.49Å; I154-M158 WeakPolarHBondContact O-CG 3.48Å; I154-M158 PolarHBondContact O-N 3.06Å
155F87.1Confident84.1Confident1 Ų161.1 Ų61.10%0.00431%0.312CS..Hα-helixtrans-58.6-46.8179-90.6-100.4000111.7I116 T117 R118 M121 V151 K157 M158 D159 D164 I166I116-F155 WeakPolarHBondContact O-CZ 3.4Å; T117-F155 VanDerWaalsContact C-CZ 3.49Å; R118-F155 HydrophobicContact CB-CE2 4.3Å; R118-F155 HydrophobicContact CB-CZ 4.21Å; R118-F155 HydrophobicContact CG-CD1 3.79Å; R118-F155 HydrophobicContact CG-CD2 4Å; R118-F155 HydrophobicContact CG-CE1 3.6Å; R118-F155 HydrophobicContact CG-CE2 3.81Å; R118-F155 HydrophobicContact CG-CG 3.99Å; R118-F155 HydrophobicContact CG-CZ 3.62Å; R118-F155 VanDerWaalsContact N-CZ 3.31Å; M121-F155 HydrophobicContact CB-CE2 3.96Å; M121-F155 HydrophobicContact CE-CD2 4.44Å; M121-F155 HydrophobicContact CE-CE2 3.86Å; M121-F155 HydrophobicContact CG-CE2 4.38Å; M121-F155 HydrophobicContact SD-CD2 3.88Å; M121-F155 HydrophobicContact SD-CE2 3.58Å; M121-F155 VanDerWaalsContact SD-CE2 3.58Å; V151-F155 HydrophobicContact CG1-CD2 3.59Å; V151-F155 HydrophobicContact CG1-CE2 3.78Å; V151-F155 WeakPolarHBondContact O-CD2 3.28Å; V151-F155 PolarHBondContact O-N 3.03Å; F155-K157 PolarHBondContact O-N 3.48Å; F155-M158 PolarHBondContact O-N 3.31Å; F155-M158 VanDerWaalsContact O-N 3.13Å; F155-D159 HydrophobicContact CD1-CB 4.24Å; F155-D159 VanDerWaalsContact O-CB 3.24Å; F155-D159 WeakPolarHBondContact O-CB 3.28Å; F155-D159 PolarHBondContact O-N 3.14Å; F155-D164 WeakPolarHBondContact CE1-O 3.44Å; F155-I166 HydrophobicContact CD1-CD1 3.97Å; F155-I166 HydrophobicContact CD1-CG1 4.08Å; F155-I166 HydrophobicContact CD2-CD1 3.83Å; F155-I166 HydrophobicContact CE1-CD1 3.74Å; F155-I166 HydrophobicContact CE1-CG1 3.77Å; F155-I166 HydrophobicContact CE2-CD1 3.61Å; F155-I166 HydrophobicContact CG-CD1 4.01Å; F155-I166 HydrophobicContact CZ-CD1 3.54Å; F155-I166 HydrophobicContact CZ-CG1 3.99Å
156S86Confident85.2Confident95 Ų9559.2 Ų59.266%0.66430%0.302SS*.Hα-helixtrans-60.8-17.7177.1550000115D152 K153 I154D152-S156 WeakPolarHBondContact O-CB 3.49Å; D152-S156 PolarHBondContact O-N 3Å; D152-S156 PolarHBondContact O-OG 3.24Å; K153-S156 WeakPolarHBondContact CA-OG 3.44Å; K153-S156 PolarHBondContact O-OG 3.11Å; K153-S156 VanDerWaalsContact O-OG 3.13Å; I154-S156 PolarHBondContact O-N 3.24Å
157K83.6Confident85.9Confident92 Ų9258.2 Ų58.240%0.430%0.298SS..Hα-helixtrans-97.3-33.4175-75.1-176.2165.1-159.90113.4K153 I154 F155 D178 I181K153-K157 WeakPolarHBondContact O-CG 3.3Å; I154-K157 PolarHBondContact O-N 2.89Å; F155-K157 PolarHBondContact O-N 3.48Å; K157-D178 IonicContact NZ-OD2 2.93Å; K157-D178 PolarHBondContact NZ-OD2 3.42Å; K157-I181 HydrophobicContact CB-CD1 4.2Å; K157-I181 HydrophobicContact CD-CD1 4.32Å
158M85.6Confident86.5Confident1 Ų159 Ų591%0.00530%0.3CS..Hα-helixtrans-95.5-42.5-172.5-68.7-169.517400113.3I154 F155 K160 I166 F171 A174 I181 L185I154-M158 HydrophobicContact CG2-CE 3.6Å; I154-M158 HydrophobicContact CG2-CG 3.94Å; I154-M158 HydrophobicContact CG2-SD 3.44Å; I154-M158 WeakPolarHBondContact CG2-SD 3.44Å; I154-M158 WeakPolarHBondContact O-CB 3.49Å; I154-M158 WeakPolarHBondContact O-CG 3.48Å; I154-M158 PolarHBondContact O-N 3.06Å; F155-M158 PolarHBondContact O-N 3.31Å; F155-M158 VanDerWaalsContact O-N 3.13Å; M158-K160 PolarHBondContact O-N 3.33Å; M158-K160 VanDerWaalsContact O-N 3.09Å; M158-I166 HydrophobicContact CB-CD1 3.86Å; M158-I166 HydrophobicContact CB-CG1 4Å; M158-I166 HydrophobicContact CB-CG2 4.29Å; M158-I166 HydrophobicContact CG-CD1 4.41Å; M158-I166 HydrophobicContact SD-CD1 3.71Å; M158-I166 HydrophobicContact SD-CG2 4.12Å; M158-F171 HydrophobicContact CE-CD2 4.16Å; M158-F171 HydrophobicContact CE-CE2 4.29Å; M158-F171 HydrophobicContact SD-CD2 4.14Å; M158-A174 HydrophobicContact CB-CB 4.19Å; M158-A174 HydrophobicContact CE-CB 4.44Å; M158-A174 HydrophobicContact CG-CB 3.57Å; M158-A174 HydrophobicContact SD-CB 4.48Å; M158-I181 HydrophobicContact CE-CB 4.24Å; M158-I181 HydrophobicContact CE-CD1 4.19Å; M158-I181 HydrophobicContact CE-CG1 4.41Å; M158-I181 HydrophobicContact CE-CG2 3Å; M158-I181 HydrophobicContact CG-CD1 4.18Å; M158-L185 HydrophobicContact CE-CD1 4.03Å
159D88.1Confident86.8Confident11 Ų1159.2 Ų59.26%0.05931%0.305CS..  trans-75.796.3-176.6179.70.2000108.9F155 N161 N162 D163 D164F155-D159 HydrophobicContact CD1-CB 4.24Å; F155-D159 VanDerWaalsContact O-CB 3.24Å; F155-D159 WeakPolarHBondContact O-CB 3.28Å; F155-D159 PolarHBondContact O-N 3.14Å; D159-N161 PolarHBondContact OD1-OD1 3.02Å; D159-N162 WeakPolarHBondContact OD1-CA 3.35Å; D159-N162 PolarHBondContact OD1-N 3.15Å; D159-N162 WeakPolarHBondContact OD2-CA 3.41Å; D159-D163 PolarHBondContact OD1-N 3Å; D159-D164 WeakPolarHBondContact OD2-CA 3.26Å; D159-D164 PolarHBondContact OD2-N 2.93Å
160K86.4Confident87.1Confident121 Ų12155.6 Ų55.653%0.52629%0.288SS..SBendtrans-87.5-33.6-175.6-71.1-166.2176.2-168.70111.6M158 N162 E170 E173M158-K160 PolarHBondContact O-N 3.33Å; M158-K160 VanDerWaalsContact O-N 3.09Å; K160-N162 VanDerWaalsContact C-N 3.31Å; K160-N162 PolarHBondContact O-ND2 3.41Å; K160-E170 PolarHBondContact N-OE1 3.23Å; K160-E173 VanDerWaalsContact CD-OE1 3.31Å; K160-E173 WeakPolarHBondContact CD-OE1 3.5Å; K160-E173 WeakPolarHBondContact CE-OE1 3.4Å; K160-E173 IonicContact NZ-OE1 2.59Å; K160-E173 PolarHBondContact NZ-OE1 2.85Å
161N88.4Confident87.5Confident88 Ų8854 Ų5447%0.47128%0.282SS..SBendtrans-84.6-8.2-179.270.56.3000112.5D159 D163 E170D159-N161 PolarHBondContact OD1-OD1 3.02Å; N161-D163 VanDerWaalsContact C-N 3.3Å; N161-D163 VanDerWaalsContact CG-CG 3.5Å; N161-D163 VanDerWaalsContact ND2-CG 3.25Å; N161-D163 PolarHBondContact ND2-OD2 3.07Å; N161-D163 WeakPolarHBondContact OD1-CB 3.16Å; N161-D163 PolarHBondContact OD1-N 3Å; N161-D163 PolarHBondContact OD1-OD1 2.92Å; N161-D163 VanDerWaalsContact OD1-OD1 3.07Å; N161-E170 PolarHBondContact N-OE1 2.83Å; N161-E170 PolarHBondContact OD1-OE1 3.13Å
162N87.1Confident87.7Confident129 Ų12956 Ų5669%0.6929%0.291SS*.  trans56.141.3-177.4-61.6-96.8000112.2D159 K160 D164D159-N162 WeakPolarHBondContact OD1-CA 3.35Å; D159-N162 PolarHBondContact OD1-N 3.15Å; D159-N162 WeakPolarHBondContact OD2-CA 3.41Å; K160-N162 VanDerWaalsContact C-N 3.31Å; K160-N162 PolarHBondContact O-ND2 3.41Å; N162-D164 VanDerWaalsContact C-N 3.34Å
163D90.4Very high87.8Confident59 Ų5957.1 Ų57.132%0.31629%0.293SS..SBendtrans-94.18.8176.677.40.6000113.5D159 N161 Q165D159-D163 PolarHBondContact OD1-N 3Å; N161-D163 VanDerWaalsContact C-N 3.3Å; N161-D163 VanDerWaalsContact CG-CG 3.5Å; N161-D163 VanDerWaalsContact ND2-CG 3.25Å; N161-D163 PolarHBondContact ND2-OD2 3.07Å; N161-D163 WeakPolarHBondContact OD1-CB 3.16Å; N161-D163 PolarHBondContact OD1-N 3Å; N161-D163 PolarHBondContact OD1-OD1 2.92Å; N161-D163 VanDerWaalsContact OD1-OD1 3.07Å; D163-Q165 PolarHBondContact O-N 3.14Å; D163-Q165 VanDerWaalsContact O-N 3.14Å; D163-Q165 PolarHBondContact O-NE2 2.91Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.38Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.49Å; D163-Q165 PolarHBondContact OD1-N 2.66Å
164D88.1Confident87.8Confident86 Ų8653.1 Ų53.146%0.4628%0.277SS..SBendtrans57.819.2-177.4-79.6-65.7000113.4R118 F155 D159 N162R118-D164 IonicContact CZ-OD1 2.71Å; R118-D164 VanDerWaalsContact CZ-OD1 3.26Å; R118-D164 IonicContact NE-OD1 2.89Å; R118-D164 PolarHBondContact NE-OD1 3.17Å; R118-D164 IonicContact NH2-OD1 3.72Å; R118-D164 PolarHBondContact NH2-OD1 2.73Å; F155-D164 WeakPolarHBondContact CE1-O 3.44Å; D159-D164 WeakPolarHBondContact OD2-CA 3.26Å; D159-D164 PolarHBondContact OD2-N 2.93Å; N162-D164 VanDerWaalsContact C-N 3.34Å
165Q91.9Very high87.8Confident53 Ų5352.8 Ų52.825%0.24828%0.276CS..EExtended strand (participates in β ladder)trans-127.6152.3172.1-71.7145.684.300109.2K115 I116 T117 D163K115-Q165 HydrophobicContact CB-CB 4.3Å; K115-Q165 HydrophobicContact CD-CB 4.2Å; K115-Q165 HydrophobicContact CD-CG 4.25Å; I116-Q165 CarbonylContact O-C 3.55Å; I116-Q165 WeakPolarHBondContact O-CA 3.49Å; T117-Q165 HydrophobicContact CG2-CG 4.16Å; D163-Q165 PolarHBondContact O-N 3.14Å; D163-Q165 VanDerWaalsContact O-N 3.14Å; D163-Q165 PolarHBondContact O-NE2 2.91Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.38Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.49Å; D163-Q165 PolarHBondContact OD1-N 2.66Å
166I90.7Very high87.5Confident0 Ų058.5 Ų58.50%030%0.3CS..EExtended strand (participates in β ladder)trans-112.7112.8173-63.7160.3000107.7K115 I116 M121 F155 M158 E170 F171K115-I166 WeakPolarHBondContact CA-O 3.5Å; I116-I166 HydrophobicContact CB-CB 4.27Å; I116-I166 PolarHBondContact N-O 2.78Å; I116-I166 PolarHBondContact O-N 2.73Å; M121-I166 HydrophobicContact CE-CD1 3.55Å; F155-I166 HydrophobicContact CD1-CD1 3.97Å; F155-I166 HydrophobicContact CD1-CG1 4.08Å; F155-I166 HydrophobicContact CD2-CD1 3.83Å; F155-I166 HydrophobicContact CE1-CD1 3.74Å; F155-I166 HydrophobicContact CE1-CG1 3.77Å; F155-I166 HydrophobicContact CE2-CD1 3.61Å; F155-I166 HydrophobicContact CG-CD1 4.01Å; F155-I166 HydrophobicContact CZ-CD1 3.54Å; F155-I166 HydrophobicContact CZ-CG1 3.99Å; M158-I166 HydrophobicContact CB-CD1 3.86Å; M158-I166 HydrophobicContact CB-CG1 4Å; M158-I166 HydrophobicContact CB-CG2 4.29Å; M158-I166 HydrophobicContact CG-CD1 4.41Å; M158-I166 HydrophobicContact SD-CD1 3.71Å; M158-I166 HydrophobicContact SD-CG2 4.12Å; I166-E170 HydrophobicContact CG2-CB 4.22Å; I166-F171 HydrophobicContact CG2-CB 3.93Å; I166-F171 HydrophobicContact CG2-CD2 4.39Å
167S92.3Very high87.3Confident36 Ų3658.4 Ų58.425%0.25230%0.3SS..EExtended strand (participates in β ladder)trans-74.4160.2173.4630000111.9D169 E170 F171S167-D169 PolarHBondContact O-N 2.68Å; S167-E170 WeakPolarHBondContact CB-OE2 3.24Å; S167-E170 PolarHBondContact N-OE2 3.48Å; S167-E170 PolarHBondContact O-N 2.95Å; S167-E170 WeakPolarHBondContact OG-CB 3.36Å; S167-E170 WeakPolarHBondContact OG-CG 3.45Å; S167-E170 PolarHBondContact OG-N 2.87Å; S167-E170 PolarHBondContact OG-OE2 2.93Å; S167-F171 WeakPolarHBondContact O-CB 3.45Å; S167-F171 PolarHBondContact O-N 3.32Å
168L88.9Confident86.7Confident42 Ų4256 Ų5622%0.2229%0.291CS..Hα-helixtrans-56.5-35.8175.9-178.965000112.5F105 K172F105-L168 HydrophobicContact CB-CD1 3.68Å; F105-L168 HydrophobicContact CD1-CD1 3.83Å; F105-L168 HydrophobicContact CD2-CB 4.33Å; F105-L168 HydrophobicContact CD2-CD1 3.76Å; F105-L168 HydrophobicContact CE1-CB 4.32Å; F105-L168 HydrophobicContact CE1-CD1 4.45Å; F105-L168 VanDerWaalsContact CE2-CA 3.49Å; F105-L168 HydrophobicContact CE2-CB 4.11Å; F105-L168 HydrophobicContact CE2-CD1 4.38Å; F105-L168 HydrophobicContact CG-CD1 3.45Å; F105-L168 VanDerWaalsContact CG-CD1 3.45Å; F105-L168 HydrophobicContact CZ-CB 4.1Å; L168-K172 HydrophobicContact CD1-CD 4.44Å; L168-K172 HydrophobicContact CD1-CG 4.5Å; L168-K172 HydrophobicContact CG-CD 4.2Å; L168-K172 WeakPolarHBondContact O-CB 3.41Å; L168-K172 VanDerWaalsContact O-CG 3.24Å; L168-K172 WeakPolarHBondContact O-CG 3.32Å; L168-K172 PolarHBondContact O-N 3.04Å
169D89.8Confident86Confident122 Ų12260.1 Ų60.165%0.65232%0.318SS*.Hα-helixtrans-69.5-45178-71-67.6000111.7S167 F171 K172 E173S167-D169 PolarHBondContact O-N 2.68Å; D169-F171 VanDerWaalsContact C-N 3.34Å; D169-F171 PolarHBondContact O-N 3Å; D169-K172 PolarHBondContact O-N 3.43Å; D169-E173 VanDerWaalsContact O-CB 3.29Å; D169-E173 WeakPolarHBondContact O-CB 3.36Å; D169-E173 PolarHBondContact O-N 3.13Å
170E90.1Very high84.8Confident17 Ų1761.8 Ų61.88%0.07933%0.331CS..Hα-helixtrans-62.2-41.9174.2-75.4166.8136.500111.7K160 N161 I166 S167 K172 E173 A174K160-E170 PolarHBondContact N-OE1 3.23Å; N161-E170 PolarHBondContact N-OE1 2.83Å; N161-E170 PolarHBondContact OD1-OE1 3.13Å; I166-E170 HydrophobicContact CG2-CB 4.22Å; S167-E170 WeakPolarHBondContact CB-OE2 3.24Å; S167-E170 PolarHBondContact N-OE2 3.48Å; S167-E170 PolarHBondContact O-N 2.95Å; S167-E170 WeakPolarHBondContact OG-CB 3.36Å; S167-E170 WeakPolarHBondContact OG-CG 3.45Å; S167-E170 PolarHBondContact OG-N 2.87Å; S167-E170 PolarHBondContact OG-OE2 2.93Å; E170-K172 PolarHBondContact O-N 2.83Å; E170-E173 PolarHBondContact O-N 2.89Å; E170-A174 WeakPolarHBondContact O-CB 3.37Å; E170-A174 PolarHBondContact O-N 3.2Å
171F87.8Confident83.8Confident0 Ų056.3 Ų56.30%031%0.307CS..Hα-helixtrans-60.6-47175.8-173.5-94.8000111.7L101 A104 F105 I116 M158 I166 S167 D169 A175 L185L101-F171 HydrophobicContact CB-CE1 4.38Å; L101-F171 HydrophobicContact CD2-CE1 4Å; L101-F171 WeakPolarHBondContact O-CE1 3.46Å; A104-F171 HydrophobicContact CB-CE1 4.35Å; A104-F171 HydrophobicContact CB-CZ 4.17Å; F105-F171 HydrophobicContact CB-CD1 4.16Å; F105-F171 HydrophobicContact CB-CE1 4.15Å; F105-F171 HydrophobicContact CD2-CB 3.75Å; F105-F171 HydrophobicContact CD2-CD1 4.05Å; F105-F171 HydrophobicContact CD2-CD2 4.18Å; F105-F171 AromaticContact CD2-CG 3.75Å; F105-F171 HydrophobicContact CD2-CG 3.75Å; F105-F171 HydrophobicContact CE2-CB 4.14Å; I116-F171 HydrophobicContact CD1-CD2 4.01Å; I116-F171 HydrophobicContact CD1-CE2 4.24Å; M158-F171 HydrophobicContact CE-CD2 4.16Å; M158-F171 HydrophobicContact CE-CE2 4.29Å; M158-F171 HydrophobicContact SD-CD2 4.14Å; I166-F171 HydrophobicContact CG2-CB 3.93Å; I166-F171 HydrophobicContact CG2-CD2 4.39Å; S167-F171 WeakPolarHBondContact O-CB 3.45Å; S167-F171 PolarHBondContact O-N 3.32Å; D169-F171 VanDerWaalsContact C-N 3.34Å; D169-F171 PolarHBondContact O-N 3Å; F171-A175 WeakPolarHBondContact O-CB 3.43Å; F171-A175 PolarHBondContact O-N 2.97Å; F171-L185 HydrophobicContact CE1-CD1 4.37Å; F171-L185 HydrophobicContact CE2-CD1 3.5Å; F171-L185 VanDerWaalsContact CE2-CD1 3.5Å; F171-L185 HydrophobicContact CE2-CD2 4Å; F171-L185 HydrophobicContact CE2-CG 4.4Å; F171-L185 HydrophobicContact CZ-CD1 3.42Å; F171-L185 VanDerWaalsContact CZ-CD1 3.42Å; F171-L185 HydrophobicContact CZ-CD2 4.33Å; F171-L185 HydrophobicContact CZ-CG 4.43Å
172K86.8Confident82.6Confident48 Ų4852.6 Ų52.621%0.20929%0.288CS..Hα-helixtrans-65.2-41177.5-77.1171.7-178.2169.50111.8L101 L168 D169 E170 K176L101-K172 HydrophobicContact CD1-CG 4.41Å; L168-K172 HydrophobicContact CD1-CD 4.44Å; L168-K172 HydrophobicContact CD1-CG 4.5Å; L168-K172 HydrophobicContact CG-CD 4.2Å; L168-K172 WeakPolarHBondContact O-CB 3.41Å; L168-K172 VanDerWaalsContact O-CG 3.24Å; L168-K172 WeakPolarHBondContact O-CG 3.32Å; L168-K172 PolarHBondContact O-N 3.04Å; D169-K172 PolarHBondContact O-N 3.43Å; E170-K172 PolarHBondContact O-N 2.83Å; K172-K176 WeakPolarHBondContact O-CB 3.35Å; K172-K176 VanDerWaalsContact O-CG 3.24Å; K172-K176 WeakPolarHBondContact O-CG 3.41Å; K172-K176 PolarHBondContact O-N 3.48Å
173E88.2Confident81.4Confident100 Ų10050.8 Ų50.847%0.46728%0.278SS..Hα-helixtrans-67.1-44.7179.6-169.8171.979.200111.2K160 D169 E170 K176 S177K160-E173 VanDerWaalsContact CD-OE1 3.31Å; K160-E173 WeakPolarHBondContact CD-OE1 3.5Å; K160-E173 WeakPolarHBondContact CE-OE1 3.4Å; K160-E173 IonicContact NZ-OE1 2.59Å; K160-E173 PolarHBondContact NZ-OE1 2.85Å; D169-E173 VanDerWaalsContact O-CB 3.29Å; D169-E173 WeakPolarHBondContact O-CB 3.36Å; D169-E173 PolarHBondContact O-N 3.13Å; E170-E173 PolarHBondContact O-N 2.89Å; E173-K176 PolarHBondContact O-N 2.82Å; E173-S177 VanDerWaalsContact O-CB 3.25Å; E173-S177 WeakPolarHBondContact O-CB 3.46Å; E173-S177 PolarHBondContact O-N 3.34Å
174A84.4Confident79.8Confident6 Ų651.4 Ų51.45%0.0528%0.281CS..Hα-helixtrans-63.5-42.8175.800000112M158 E170 K176 S177 D178 I181M158-A174 HydrophobicContact CB-CB 4.19Å; M158-A174 HydrophobicContact CE-CB 4.44Å; M158-A174 HydrophobicContact CG-CB 3.57Å; M158-A174 HydrophobicContact SD-CB 4.48Å; E170-A174 WeakPolarHBondContact O-CB 3.37Å; E170-A174 PolarHBondContact O-N 3.2Å; A174-K176 VanDerWaalsContact C-N 3.33Å; A174-K176 PolarHBondContact O-N 3.44Å; A174-S177 PolarHBondContact O-N 3.5Å; A174-D178 PolarHBondContact O-N 3.32Å; A174-I181 HydrophobicContact CB-CD1 3.9Å
175A82.2Confident78.3Confident2 Ų248.2 Ų48.22%0.01726%0.263CS..Hα-helixtrans-63.7-35.2175.100000113.5L101 F171 V182L101-A175 HydrophobicContact CD1-CB 3.72Å; L101-A175 HydrophobicContact CD2-CB 3.43Å; L101-A175 VanDerWaalsContact CD2-CB 3.43Å; L101-A175 HydrophobicContact CG-CB 4.24Å; F171-A175 WeakPolarHBondContact O-CB 3.43Å; F171-A175 PolarHBondContact O-N 2.97Å; A175-V182 HydrophobicContact CB-CG2 3.53Å; A175-V182 WeakPolarHBondContact O-CG2 3.29Å
176K81.6Confident76.6Confident120 Ų12050.1 Ų50.152%0.52227%0.272SS..Hα-helixtrans-74.2-35.8174.5-75.3173.9-177.5177.30111.7F97 E98 K172 E173 A174F97-K176 HydrophobicContact CE1-CG 4.05Å; E98-K176 IonicContact OE1-NZ 3.88Å; E98-K176 PolarHBondContact OE1-NZ 3.27Å; K172-K176 WeakPolarHBondContact O-CB 3.35Å; K172-K176 VanDerWaalsContact O-CG 3.24Å; K172-K176 WeakPolarHBondContact O-CG 3.41Å; K172-K176 PolarHBondContact O-N 3.48Å; E173-K176 PolarHBondContact O-N 2.82Å; A174-K176 VanDerWaalsContact C-N 3.33Å; A174-K176 PolarHBondContact O-N 3.44Å
177S80.3Confident74.6Confident94 Ų9451.6 Ų51.666%0.65728%0.282SS*.Hα-helixtrans-80.6-32.4-176.6-171.80000113.5E173 A174E173-S177 VanDerWaalsContact O-CB 3.25Å; E173-S177 WeakPolarHBondContact O-CB 3.46Å; E173-S177 PolarHBondContact O-N 3.34Å; A174-S177 PolarHBondContact O-N 3.5Å
178D72.8Confident71.9Confident40 Ų4053.2 Ų53.221%0.21429%0.288CS..  trans-135.497.6-177.5-170.6-12.8000109.9K157 A174 S180 I181K157-D178 IonicContact NZ-OD2 2.93Å; K157-D178 PolarHBondContact NZ-OD2 3.42Å; A174-D178 PolarHBondContact O-N 3.32Å; D178-S180 PolarHBondContact O-N 2.92Å; D178-S180 VanDerWaalsContact O-N 3.07Å; D178-S180 WeakPolarHBondContact OD1-CB 3.21Å; D178-S180 PolarHBondContact OD1-N 2.86Å; D178-S180 PolarHBondContact OD1-OG 3.27Å; D178-S180 PolarHBondContact OD2-OG 2.91Å; D178-I181 HydrophobicContact CB-CB 4.47Å; D178-I181 HydrophobicContact CB-CD1 3.94Å; D178-I181 HydrophobicContact CB-CG1 4.06Å; D178-I181 VanDerWaalsContact O-CB 3.27Å; D178-I181 WeakPolarHBondContact O-CB 3.38Å; D178-I181 PolarHBondContact O-N 2.82Å
179P69.2Low69.5Low88 Ų8854.5 Ų54.557%0.57130%0.295SS*.Hα-helixtrans-58.9-21.5176.8-24.534.2000113.6I181 V182 L183P179-I181 PolarHBondContact O-N 2.95Å; P179-V182 WeakPolarHBondContact O-CB 3.24Å; P179-V182 PolarHBondContact O-N 2.98Å; P179-V182 VanDerWaalsContact O-N 3.15Å; P179-L183 PolarHBondContact O-N 3.16Å
180S64.3Low66.5Low47 Ų4756.7 Ų56.733%0.32930%0.301SS..Hα-helixtrans-66.9-28175.677.50000112.2D178 L183 L184D178-S180 PolarHBondContact O-N 2.92Å; D178-S180 VanDerWaalsContact O-N 3.07Å; D178-S180 WeakPolarHBondContact OD1-CB 3.21Å; D178-S180 PolarHBondContact OD1-N 2.86Å; D178-S180 PolarHBondContact OD1-OG 3.27Å; D178-S180 PolarHBondContact OD2-OG 2.91Å; S180-L183 CarbonylContact O-C 3.59Å; S180-L183 PolarHBondContact O-N 2.53Å; S180-L184 VanDerWaalsContact O-CG 3.26Å; S180-L184 WeakPolarHBondContact O-CG 3.19Å; S180-L184 PolarHBondContact O-N 3.07Å
181I65.5Low63.6Low5 Ų568 Ų683%0.02635%0.35CS..Hα-helixtrans-64.7-43.6171.7-76178.5000110K157 M158 A174 D178 P179 L183 L184 L185K157-I181 HydrophobicContact CB-CD1 4.2Å; K157-I181 HydrophobicContact CD-CD1 4.32Å; M158-I181 HydrophobicContact CE-CB 4.24Å; M158-I181 HydrophobicContact CE-CD1 4.19Å; M158-I181 HydrophobicContact CE-CG1 4.41Å; M158-I181 HydrophobicContact CE-CG2 3Å; M158-I181 HydrophobicContact CG-CD1 4.18Å; A174-I181 HydrophobicContact CB-CD1 3.9Å; D178-I181 HydrophobicContact CB-CB 4.47Å; D178-I181 HydrophobicContact CB-CD1 3.94Å; D178-I181 HydrophobicContact CB-CG1 4.06Å; D178-I181 VanDerWaalsContact O-CB 3.27Å; D178-I181 WeakPolarHBondContact O-CB 3.38Å; D178-I181 PolarHBondContact O-N 2.82Å; P179-I181 PolarHBondContact O-N 2.95Å; I181-L183 VanDerWaalsContact C-N 3.29Å; I181-L183 PolarHBondContact O-N 2.97Å; I181-L184 WeakPolarHBondContact O-CB 3.42Å; I181-L184 PolarHBondContact O-N 3Å; I181-L184 VanDerWaalsContact O-N 3.11Å; I181-L185 HydrophobicContact CG2-CD1 3.72Å; I181-L185 HydrophobicContact CG2-CG 4.5Å; I181-L185 WeakPolarHBondContact O-CD1 3.37Å; I181-L185 WeakPolarHBondContact O-CG 3.24Å; I181-L185 PolarHBondContact O-N 3.32Å
182V63.5Low62.4Low11 Ų1171.5 Ų71.57%0.06737%0.368CS..Hα-helixtrans-64.1-37.9176.5-176.80000110.9F97 L101 A175 P179 L184 L185 Q186F97-V182 HydrophobicContact CE2-CG1 4.33Å; F97-V182 HydrophobicContact CE2-CG2 4.29Å; F97-V182 HydrophobicContact CZ-CG2 4.08Å; L101-V182 HydrophobicContact CD2-CG2 4.22Å; A175-V182 HydrophobicContact CB-CG2 3.53Å; A175-V182 WeakPolarHBondContact O-CG2 3.29Å; P179-V182 WeakPolarHBondContact O-CB 3.24Å; P179-V182 PolarHBondContact O-N 2.98Å; P179-V182 VanDerWaalsContact O-N 3.15Å; V182-L184 VanDerWaalsContact C-N 3.31Å; V182-L184 PolarHBondContact O-N 3.23Å; V182-L185 PolarHBondContact O-N 3.46Å; V182-Q186 HydrophobicContact CG1-CG 3.99Å; V182-Q186 VanDerWaalsContact O-CB 3.25Å; V182-Q186 WeakPolarHBondContact O-CB 3.19Å; V182-Q186 WeakPolarHBondContact O-CG 3.08Å; V182-Q186 PolarHBondContact O-N 3.37Å
183L60.8Low61.1Low91 Ų9172.7 Ų72.748%0.47638%0.376SS..Hα-helixtrans-68.7-25173.5-76.7153.4000113.8P179 S180 I181 Q186 D188P179-L183 PolarHBondContact O-N 3.16Å; S180-L183 CarbonylContact O-C 3.59Å; S180-L183 PolarHBondContact O-N 2.53Å; I181-L183 VanDerWaalsContact C-N 3.29Å; I181-L183 PolarHBondContact O-N 2.97Å; L183-Q186 CarbonylContact C-O 3.56Å; L183-D188 HydrophobicContact CD2-CB 4.47Å; L183-D188 WeakPolarHBondContact CD2-OD2 3.31Å
184L57.3Low59.6Low72 Ų7271.2 Ų71.238%0.37737%0.371SS..Hα-helixtrans-76.1-28.9172.1-75.1166.9000111.6S180 I181 V182S180-L184 VanDerWaalsContact O-CG 3.26Å; S180-L184 WeakPolarHBondContact O-CG 3.19Å; S180-L184 PolarHBondContact O-N 3.07Å; I181-L184 WeakPolarHBondContact O-CB 3.42Å; I181-L184 PolarHBondContact O-N 3Å; I181-L184 VanDerWaalsContact O-N 3.11Å; V182-L184 VanDerWaalsContact C-N 3.31Å; V182-L184 PolarHBondContact O-N 3.23Å
185L57.3Low58.2Low19 Ų1975 Ų7510%0.09939%0.39CS..Hα-helixtrans-92.5-41.4-176.3-63.6162.8000112.8Y108 M158 F171 I181 V182 C187Y108-L185 HydrophobicContact CD2-CD2 4.1Å; Y108-L185 HydrophobicContact CE1-CD2 3.98Å; Y108-L185 HydrophobicContact CE2-CB 4.27Å; Y108-L185 HydrophobicContact CE2-CD2 3.39Å; Y108-L185 HydrophobicContact CE2-CG 4.39Å; Y108-L185 WeakPolarHBondContact OH-CD2 3.27Å; M158-L185 HydrophobicContact CE-CD1 4.03Å; F171-L185 HydrophobicContact CE1-CD1 4.37Å; F171-L185 HydrophobicContact CE2-CD1 3.5Å; F171-L185 VanDerWaalsContact CE2-CD1 3.5Å; F171-L185 HydrophobicContact CE2-CD2 4Å; F171-L185 HydrophobicContact CE2-CG 4.4Å; F171-L185 HydrophobicContact CZ-CD1 3.42Å; F171-L185 VanDerWaalsContact CZ-CD1 3.42Å; F171-L185 HydrophobicContact CZ-CD2 4.33Å; F171-L185 HydrophobicContact CZ-CG 4.43Å; I181-L185 HydrophobicContact CG2-CD1 3.72Å; I181-L185 HydrophobicContact CG2-CG 4.5Å; I181-L185 WeakPolarHBondContact O-CD1 3.37Å; I181-L185 WeakPolarHBondContact O-CG 3.24Å; I181-L185 PolarHBondContact O-N 3.32Å; V182-L185 PolarHBondContact O-N 3.46Å; L185-C187 VanDerWaalsContact C-N 3.34Å; L185-C187 PolarHBondContact O-N 2.72Å; L185-C187 VanDerWaalsContact O-N 3.14Å
186Q56.1Low56.7Low93 Ų9379.6 Ų79.644%0.43541%0.413SS..THydrogen-bonded Turntrans-74.796.5163.7-66.4179.6-9.400104.4V182 L183 D188V182-Q186 HydrophobicContact CG1-CG 3.99Å; V182-Q186 VanDerWaalsContact O-CB 3.25Å; V182-Q186 WeakPolarHBondContact O-CB 3.19Å; V182-Q186 WeakPolarHBondContact O-CG 3.08Å; V182-Q186 PolarHBondContact O-N 3.37Å; L183-Q186 CarbonylContact C-O 3.56Å; Q186-D188 PolarHBondContact O-N 3.18Å
187C47.2Very low55Low31 Ų3176.9 Ų76.921%0.20941%0.406CS..THydrogen-bonded Turntrans-58.788.7170.8-162.50000106.9I128 L185 L189I128-C187 HydrophobicContact CG2-CB 4.25Å; I128-C187 WeakPolarHBondContact CG2-SG 3.19Å; L185-C187 VanDerWaalsContact C-N 3.34Å; L185-C187 PolarHBondContact O-N 2.72Å; L185-C187 VanDerWaalsContact O-N 3.14Å; C187-L189 WeakPolarHBondContact O-CG 3.25Å; C187-L189 PolarHBondContact O-N 2.59Å
188D37.2Very low53.2Low69 Ų6975.6 Ų75.637%0.36939%0.388SS..  trans-73.385.9-171.6-151.7-20.2000106.4L183 Q186 Q190L183-D188 HydrophobicContact CD2-CB 4.47Å; L183-D188 WeakPolarHBondContact CD2-OD2 3.31Å; Q186-D188 PolarHBondContact O-N 3.18Å; D188-Q190 PolarHBondContact O-N 2.92Å; D188-Q190 WeakPolarHBondContact OD1-CB 3.09Å; D188-Q190 PolarHBondContact OD1-N 3.09Å
189L37.1Very low51.7Low69 Ų6978.4 Ų78.436%0.36140%0.401SS..  trans-77.32.9175.6-72161.6000110.6F56 V132 I136 C187 K191F56-L189 HydrophobicContact CE1-CD1 3.47Å; F56-L189 VanDerWaalsContact CE1-CD1 3.47Å; F56-L189 HydrophobicContact CE1-CD2 4.17Å; F56-L189 HydrophobicContact CE1-CG 4.42Å; F56-L189 HydrophobicContact CZ-CD1 3.56Å; V132-L189 HydrophobicContact CG1-CD2 3.64Å; V132-L189 HydrophobicContact CG2-CD2 4.07Å; I136-L189 HydrophobicContact CD1-CD2 3.59Å; C187-L189 WeakPolarHBondContact O-CG 3.25Å; C187-L189 PolarHBondContact O-N 2.59Å; L189-K191 PolarHBondContact O-N 2.83Å; L189-K191 VanDerWaalsContact O-N 3.17Å
190Q28.1Very low50.2Low169 Ų16977.6 Ų77.679%0.7939%0.387SS*.  trans-81.397.7178.1-57.4-161.1-50.700110.5D188D188-Q190 PolarHBondContact O-N 2.92Å; D188-Q190 WeakPolarHBondContact OD1-CB 3.09Å; D188-Q190 PolarHBondContact OD1-N 3.09Å
191K28.4Very low48.9Very low255 Ų25580.4 Ų80.4100%1.10939%0.393SS*.  -1090128.8-78.3-159.9-178-163.60109.1L189L189-K191 PolarHBondContact O-N 2.83Å; L189-K191 VanDerWaalsContact O-N 3.17Å

Retrieved 191 of 191 residues in 518.2 ms (Link to these results)

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