A0A096N092_PAPAN Loading...

Neurocalcin-delta

May be involved in the calcium-dependent regulation of rhodopsin phosphorylation. Binds three calcium ions.

AlphaFold DB (Q5PQN0), UniProt , Accession A0A096N092, Species PAPAN (Papio anubis, Olive baboon), Gene NCALD, Length 193 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
1M37.8Very low67.4Low246 Ų246133.4 Ų133.4100%1.21268%0.683SS**  0115.80-80.8162.5146.900107.3
2G38.7Very low69.6Low74 Ų74125.6 Ų125.676%0.76365%0.646SS**  trans-65.8132.7-162.500000113Q4G2-Q4 PolarHBondContact O-N 2.7Å
3K43.9Very low71.6Confident206 Ų206116.9 Ų116.990%0.89660%0.601SS**  trans-58102.8163.4-77.1178.1173.61790107N5K3-N5 PolarHBondContact O-N 3.29Å; K3-N5 VanDerWaalsContact O-N 3.17Å
4Q54.2Low73.3Confident156 Ų156116.6 Ų116.673%0.72960%0.596SS**  trans-54.6123.4163.6-82.6177.2-17.900106.5G2 S6G2-Q4 PolarHBondContact O-N 2.7Å; Q4-S6 PolarHBondContact O-N 2.95Å; Q4-S6 PolarHBondContact O-OG 2.82Å
5N55.2Low74.9Confident140 Ų140112 Ų11275%0.74957%0.573SS**  trans-59.997-177.6-112.5-11.1000108.4K3 K7K3-N5 PolarHBondContact O-N 3.29Å; K3-N5 VanDerWaalsContact O-N 3.17Å; N5-K7 PolarHBondContact O-N 3.17Å
6S66.9Low76.2Confident68 Ų68105 Ų10548%0.47654%0.537SS..  trans-70.821.5178.5-39.20000113Q4Q4-S6 PolarHBondContact O-N 2.95Å; Q4-S6 PolarHBondContact O-OG 2.82Å
7K79.8Confident77.4Confident148 Ų148102.9 Ų102.964%0.64353%0.527SS*.SBendtrans-116.6128.4-178.7-69.6-168.4176.3-170.30108.7N5N5-K7 PolarHBondContact O-N 3.17Å
8L88.2Confident78.5Confident25 Ų25105.2 Ų105.213%0.13154%0.535CS..  trans-60.7146.4169.6-69.5162.1000109.9V12 M13 L16 I27 Y31 F82L8-V12 HydrophobicContact CD2-CG1 3.92Å; L8-M13 HydrophobicContact CB-CE 4.27Å; L8-M13 HydrophobicContact CD1-CE 3.71Å; L8-L16 HydrophobicContact CD1-CD1 3.96Å; L8-I27 HydrophobicContact CD1-CG2 3.63Å; L8-Y31 HydrophobicContact CD1-CD1 4.28Å; L8-Y31 HydrophobicContact CD1-CD2 4.36Å; L8-Y31 HydrophobicContact CD1-CG 3.98Å; L8-Y31 HydrophobicContact CD2-CD1 4.05Å; L8-Y31 HydrophobicContact CD2-CD2 3.7Å; L8-Y31 HydrophobicContact CD2-CE1 3.88Å; L8-Y31 HydrophobicContact CD2-CE2 3.53Å; L8-Y31 HydrophobicContact CD2-CG 3.94Å; L8-Y31 HydrophobicContact CG-CD1 3.66Å; L8-Y31 HydrophobicContact CG-CD2 4.07Å; L8-Y31 HydrophobicContact CG-CE1 3.83Å; L8-Y31 HydrophobicContact CG-CE2 4.23Å; L8-Y31 HydrophobicContact CG-CG 3.76Å; L8-F82 HydrophobicContact CD1-CD1 4.49Å; L8-F82 HydrophobicContact CD1-CE1 3.92Å; L8-F82 HydrophobicContact CD2-CD1 4.26Å; L8-F82 HydrophobicContact CD2-CE1 4.49Å
9R91.1Very high79.3Confident176 Ų176102.3 Ų102.366%0.66453%0.525SS*.  trans-64.5146.7170.6-65.9-176.6-69.6-172.5-1.4109.5E11 V12 M13R9-E11 WeakPolarHBondContact CB-OE2 3.32Å; R9-E11 PolarHBondContact O-N 3.46Å; R9-V12 HydrophobicContact CB-CG2 4.2Å; R9-V12 PolarHBondContact O-N 3Å; R9-M13 PolarHBondContact O-N 3.39Å
10P91.9Very high80.1Confident99 Ų9997.7 Ų97.764%0.64350%0.502SS*.Hα-helixtrans-53.7-38.8-179.2-2735.7000113.6V12 M13 Q14P10-V12 PolarHBondContact O-N 3.44Å; P10-M13 PolarHBondContact O-N 2.86Å; P10-Q14 PolarHBondContact O-N 2.95Å
11E93.5Very high80.7Confident129 Ų12997.7 Ų97.760%0.60350%0.503SS*.Hα-helixtrans-67.2-38-179.7-53.380-171.500111.7R9 D15R9-E11 WeakPolarHBondContact CB-OE2 3.32Å; R9-E11 PolarHBondContact O-N 3.46Å; E11-D15 PolarHBondContact O-N 2.89Å; E11-D15 VanDerWaalsContact O-N 3.14Å
12V93.8Very high83.5Confident40 Ų4086.5 Ų86.524%0.24245%0.448CS..Hα-helixtrans-69.4-42.3175.7-179.40000110L8 R9 P10 Q14 D15 L16L8-V12 HydrophobicContact CD2-CG1 3.92Å; R9-V12 HydrophobicContact CB-CG2 4.2Å; R9-V12 PolarHBondContact O-N 3Å; P10-V12 PolarHBondContact O-N 3.44Å; V12-Q14 VanDerWaalsContact C-N 3.29Å; V12-Q14 PolarHBondContact O-N 3.43Å; V12-D15 PolarHBondContact O-N 3.38Å; V12-L16 HydrophobicContact CG1-CD1 4.17Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 VanDerWaalsContact O-CG 3.27Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 3.02Å
13M95.8Very high86.2Confident13 Ų1386.6 Ų86.66%0.06443%0.434CS..Hα-helixtrans-59.7-43176.8-176.958.777.400111.5L8 R9 P10 L16 L17 E24 I27 Q28L8-M13 HydrophobicContact CB-CE 4.27Å; L8-M13 HydrophobicContact CD1-CE 3.71Å; R9-M13 PolarHBondContact O-N 3.39Å; P10-M13 PolarHBondContact O-N 2.86Å; M13-L16 PolarHBondContact O-N 3.25Å; M13-L17 HydrophobicContact CG-CD1 4.08Å; M13-L17 HydrophobicContact CG-CG 4.48Å; M13-L17 VanDerWaalsContact O-CG 3.32Å; M13-L17 WeakPolarHBondContact O-CG 3.49Å; M13-L17 PolarHBondContact O-N 3.03Å; M13-L17 HydrophobicContact SD-CG 4.39Å; M13-E24 HydrophobicContact CE-CG 3.92Å; M13-E24 HydrophobicContact CG-CG 3.98Å; M13-E24 HydrophobicContact SD-CB 4.43Å; M13-E24 HydrophobicContact SD-CG 3.82Å; M13-I27 HydrophobicContact CE-CB 4.27Å; M13-I27 HydrophobicContact CE-CG2 3.93Å; M13-I27 HydrophobicContact SD-CB 3.97Å; M13-I27 HydrophobicContact SD-CD1 4.03Å; M13-I27 HydrophobicContact SD-CG2 3.74Å; M13-Q28 HydrophobicContact CE-CG 3.49Å; M13-Q28 VanDerWaalsContact CE-CG 3.49Å
14Q95.7Very high88.7Confident112 Ų11281.8 Ų81.852%0.52341%0.414SS..Hα-helixtrans-61.5-48.2177.6-176176.8-2.200111.9P10 V12 L16 L17 E18P10-Q14 PolarHBondContact O-N 2.95Å; V12-Q14 VanDerWaalsContact C-N 3.29Å; V12-Q14 PolarHBondContact O-N 3.43Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 3.04Å; Q14-L17 PolarHBondContact O-N 2.85Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.19Å; Q14-E18 PolarHBondContact NE2-OE1 2.67Å; Q14-E18 WeakPolarHBondContact O-CG 3.44Å; Q14-E18 PolarHBondContact O-N 2.92Å
15D96.5Very high90.6Very high48 Ų4880.7 Ų80.726%0.25741%0.409SS..Hα-helixtrans-57.2-41.6176.3163.776.5000112.3E11 V12 E18 S19 R83E11-D15 PolarHBondContact O-N 2.89Å; E11-D15 VanDerWaalsContact O-N 3.14Å; V12-D15 PolarHBondContact O-N 3.38Å; D15-E18 PolarHBondContact O-N 2.83Å; D15-S19 VanDerWaalsContact O-CB 3.24Å; D15-S19 WeakPolarHBondContact O-CB 3.43Å; D15-S19 PolarHBondContact O-N 3.39Å; D15-S19 PolarHBondContact O-OG 3.22Å; D15-R83 IonicContact OD1-CZ 2.7Å; D15-R83 IonicContact OD1-NE 3.53Å; D15-R83 IonicContact OD1-NH2 3.62Å; D15-R83 PolarHBondContact OD1-NH2 3.12Å; D15-R83 IonicContact OD2-CZ 2.76Å; D15-R83 IonicContact OD2-NE 2.66Å; D15-R83 PolarHBondContact OD2-NE 3.44Å; D15-R83 IonicContact OD2-NH2 3.38Å; D15-R83 PolarHBondContact OD2-NH2 3.33Å
16L96.8Very high92.6Very high0 Ų076.6 Ų76.60%039%0.385CS..Hα-helixtrans-68.9-35.8178.2-64.8-179000112.8L8 V12 M13 Q14 E18 S19 T20 I27 F82 R83 I86L8-L16 HydrophobicContact CD1-CD1 3.96Å; V12-L16 HydrophobicContact CG1-CD1 4.17Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 VanDerWaalsContact O-CG 3.27Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 3.02Å; M13-L16 PolarHBondContact O-N 3.25Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 3.04Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-S19 PolarHBondContact O-N 3.32Å; L16-T20 WeakPolarHBondContact O-CB 3.39Å; L16-T20 WeakPolarHBondContact O-CG2 3.43Å; L16-T20 PolarHBondContact O-N 3.01Å; L16-T20 PolarHBondContact O-OG1 3.02Å; L16-I27 HydrophobicContact CB-CD1 3.91Å; L16-I27 HydrophobicContact CB-CG2 4.35Å; L16-I27 HydrophobicContact CD1-CG2 3.66Å; L16-F82 HydrophobicContact CD1-CD1 4.05Å; L16-F82 HydrophobicContact CD1-CE1 3.71Å; L16-R83 HydrophobicContact CD2-CB 4.06Å; L16-R83 HydrophobicContact CD2-CG 3.75Å; L16-I86 HydrophobicContact CD1-CG2 4.33Å; L16-I86 HydrophobicContact CD2-CG2 3.65Å; L16-I86 HydrophobicContact CG-CG2 4.49Å
17L96.6Very high94Very high70 Ų7073.4 Ų73.437%0.36636%0.363SS..Hα-helixtrans-67.9-34174.3-72.8169.5000112.2M13 Q14 F22 E24 I27M13-L17 HydrophobicContact CG-CD1 4.08Å; M13-L17 HydrophobicContact CG-CG 4.48Å; M13-L17 VanDerWaalsContact O-CG 3.32Å; M13-L17 WeakPolarHBondContact O-CG 3.49Å; M13-L17 PolarHBondContact O-N 3.03Å; M13-L17 HydrophobicContact SD-CG 4.39Å; Q14-L17 PolarHBondContact O-N 2.85Å; L17-F22 WeakPolarHBondContact CD2-O 3.27Å; L17-E24 HydrophobicContact CD1-CB 4.42Å; L17-E24 HydrophobicContact CD2-CB 4.27Å; L17-I27 HydrophobicContact CD2-CD1 3.72Å; L17-I27 HydrophobicContact CG-CD1 4.02Å
18E96.2Very high94.7Very high143 Ų14368.9 Ų68.967%0.66834%0.344SS*.Hα-helixtrans-76.2-27176.1-70174.7-16900112.1Q14 D15 L16Q14-E18 WeakPolarHBondContact CG-OE1 3.19Å; Q14-E18 PolarHBondContact NE2-OE1 2.67Å; Q14-E18 WeakPolarHBondContact O-CG 3.44Å; Q14-E18 PolarHBondContact O-N 2.92Å; D15-E18 PolarHBondContact O-N 2.83Å; L16-E18 VanDerWaalsContact C-N 3.33Å
19S94.4Very high95Very high50 Ų5072 Ų7235%0.3536%0.358SS..Hα-helixtrans-97.9-10.5-175.2-58.10000114.7D15 L16D15-S19 VanDerWaalsContact O-CB 3.24Å; D15-S19 WeakPolarHBondContact O-CB 3.43Å; D15-S19 PolarHBondContact O-N 3.39Å; D15-S19 PolarHBondContact O-OG 3.22Å; L16-S19 PolarHBondContact O-N 3.32Å
20T94.9Very high95.2Very high11 Ų1168.8 Ų68.87%0.06735%0.346CS..SBendtrans-135.3158.4-174.273.20000112.9L16 F22 I86 I87 S90L16-T20 WeakPolarHBondContact O-CB 3.39Å; L16-T20 WeakPolarHBondContact O-CG2 3.43Å; L16-T20 PolarHBondContact O-N 3.01Å; L16-T20 PolarHBondContact O-OG1 3.02Å; T20-F22 PolarHBondContact O-N 3.33Å; T20-F22 PolarHBondContact OG1-N 2.8Å; T20-I86 HydrophobicContact CG2-CG1 4.49Å; T20-I86 HydrophobicContact CG2-CG2 4.24Å; T20-I87 HydrophobicContact CG2-CG1 3.91Å; T20-S90 WeakPolarHBondContact CA-OG 3.42Å
21D93.8Very high95.3Very high97 Ų9766.1 Ų66.152%0.51932%0.323SS..SBendtrans-89.325.9173.1-66.8-49.7000111.5S90 R94D21-S90 PolarHBondContact N-OG 3.33Å; D21-R94 HydrophobicContact CB-CB 3.94Å; D21-R94 VanDerWaalsContact O-CD 3.31Å; D21-R94 WeakPolarHBondContact O-CD 3.37Å; D21-R94 PolarHBondContact O-NH1 2.65Å
22F95.3Very high95.3Very high12 Ų1264.3 Ų64.35%0.05331%0.313CS..  trans-99.7146.1176.9-70.6-70.7000111.9L17 T20 E26 I27 W30 I86 L89 R94L17-F22 WeakPolarHBondContact CD2-O 3.27Å; T20-F22 PolarHBondContact O-N 3.33Å; T20-F22 PolarHBondContact OG1-N 2.8Å; F22-E26 HydrophobicContact CB-CB 4.24Å; F22-E26 HydrophobicContact CD1-CB 4.01Å; F22-I27 HydrophobicContact CB-CD1 4.21Å; F22-I27 HydrophobicContact CB-CG1 3.66Å; F22-W30 AromaticContact CE1-NE1 3.8Å; F22-I86 HydrophobicContact CD2-CD1 3.66Å; F22-I86 HydrophobicContact CD2-CG1 3.8Å; F22-I86 HydrophobicContact CE2-CD1 3.55Å; F22-I86 HydrophobicContact CE2-CG1 4.03Å; F22-I86 HydrophobicContact CG-CD1 4.39Å; F22-I86 HydrophobicContact CZ-CD1 4.22Å; F22-L89 HydrophobicContact CE2-CD2 4.45Å; F22-L89 HydrophobicContact CE2-CG 4.36Å; F22-L89 HydrophobicContact CZ-CD2 4.06Å; F22-L89 HydrophobicContact CZ-CG 4.05Å; F22-R94 VanDerWaalsContact CD1-NH1 3.33Å; F22-R94 VanDerWaalsContact CE1-NE 3.29Å
23T96.1Very high95.3Very high76 Ų7663.1 Ų63.147%0.46631%0.309SS..  trans-75.7159.7170.862.30000111.2H25 E26 I27T23-H25 PolarHBondContact O-N 3.39Å; T23-E26 PolarHBondContact N-OE2 2.86Å; T23-E26 PolarHBondContact O-N 3.46Å; T23-E26 VanDerWaalsContact OG1-CD 3.28Å; T23-E26 WeakPolarHBondContact OG1-CG 3.31Å; T23-E26 PolarHBondContact OG1-N 3.07Å; T23-E26 PolarHBondContact OG1-OE2 2.77Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 3.45Å
24E95.9Very high95.1Very high105 Ų10563.1 Ų63.149%0.49131%0.309SS..Hα-helixtrans-54.7-41.5177.6-177.1-178.5166.600111.8M13 L17 I27 Q28M13-E24 HydrophobicContact CE-CG 3.92Å; M13-E24 HydrophobicContact CG-CG 3.98Å; M13-E24 HydrophobicContact SD-CB 4.43Å; M13-E24 HydrophobicContact SD-CG 3.82Å; L17-E24 HydrophobicContact CD1-CB 4.42Å; L17-E24 HydrophobicContact CD2-CB 4.27Å; E24-I27 PolarHBondContact O-N 2.69Å; E24-Q28 WeakPolarHBondContact O-CG 3.32Å; E24-Q28 PolarHBondContact O-N 3.33Å
25H95.3Very high95Very high133 Ų13359.7 Ų59.762%0.61629%0.294SS*.Hα-helixtrans-62.1-45.6177178-84.4000111.8T23 Q28 E29T23-H25 PolarHBondContact O-N 3.39Å; H25-Q28 PolarHBondContact O-N 3.14Å; H25-E29 WeakPolarHBondContact O-CG 3.27Å; H25-E29 PolarHBondContact O-N 2.96Å
26E96.2Very high94.7Very high54 Ų5465.9 Ų65.925%0.25231%0.314SS..Hα-helixtrans-64.1-42.6178.4-70.5168.2137.200111.9F22 T23 Q28 E29 W30 R94F22-E26 HydrophobicContact CB-CB 4.24Å; F22-E26 HydrophobicContact CD1-CB 4.01Å; T23-E26 PolarHBondContact N-OE2 2.86Å; T23-E26 PolarHBondContact O-N 3.46Å; T23-E26 VanDerWaalsContact OG1-CD 3.28Å; T23-E26 WeakPolarHBondContact OG1-CG 3.31Å; T23-E26 PolarHBondContact OG1-N 3.07Å; T23-E26 PolarHBondContact OG1-OE2 2.77Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.43Å; E26-E29 PolarHBondContact O-N 3.31Å; E26-W30 WeakPolarHBondContact O-CB 3.44Å; E26-W30 VanDerWaalsContact O-CD1 3.22Å; E26-W30 PolarHBondContact O-N 3.06Å; E26-R94 VanDerWaalsContact CD-NH2 3.32Å; E26-R94 IonicContact OE1-CZ 2.88Å; E26-R94 IonicContact OE1-NH1 3.63Å; E26-R94 PolarHBondContact OE1-NH1 2.97Å; E26-R94 IonicContact OE1-NH2 3.66Å; E26-R94 PolarHBondContact OE1-NH2 3.29Å; E26-R94 IonicContact OE2-CZ 3.37Å; E26-R94 IonicContact OE2-NH1 3.72Å; E26-R94 PolarHBondContact OE2-NH1 3.36Å; E26-R94 IonicContact OE2-NH2 2.71Å
27I96.6Very high94.2Very high0 Ų070.8 Ų70.80%034%0.34CS..Hα-helixtrans-60.5-43.1176.4-64.7166.9000110.2L8 M13 L16 L17 F22 T23 E24 W30 Y31 F82L8-I27 HydrophobicContact CD1-CG2 3.63Å; M13-I27 HydrophobicContact CE-CB 4.27Å; M13-I27 HydrophobicContact CE-CG2 3.93Å; M13-I27 HydrophobicContact SD-CB 3.97Å; M13-I27 HydrophobicContact SD-CD1 4.03Å; M13-I27 HydrophobicContact SD-CG2 3.74Å; L16-I27 HydrophobicContact CB-CD1 3.91Å; L16-I27 HydrophobicContact CB-CG2 4.35Å; L16-I27 HydrophobicContact CD1-CG2 3.66Å; L17-I27 HydrophobicContact CD2-CD1 3.72Å; L17-I27 HydrophobicContact CG-CD1 4.02Å; F22-I27 HydrophobicContact CB-CD1 4.21Å; F22-I27 HydrophobicContact CB-CG1 3.66Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 3.45Å; E24-I27 PolarHBondContact O-N 2.69Å; I27-W30 PolarHBondContact O-N 3.2Å; I27-Y31 VanDerWaalsContact O-CB 3.3Å; I27-Y31 WeakPolarHBondContact O-CB 3.45Å; I27-Y31 PolarHBondContact O-N 3Å; I27-F82 HydrophobicContact CG2-CE1 4Å; I27-F82 HydrophobicContact CG2-CZ 4.27Å
28Q94.4Very high93.9Very high53 Ų5367.8 Ų67.825%0.24833%0.325CS..Hα-helixtrans-63.8-40.5176.7-73.5-165.515.300113M13 E24 H25 E26 Y31 K32M13-Q28 HydrophobicContact CE-CG 3.49Å; M13-Q28 VanDerWaalsContact CE-CG 3.49Å; E24-Q28 WeakPolarHBondContact O-CG 3.32Å; E24-Q28 PolarHBondContact O-N 3.33Å; H25-Q28 PolarHBondContact O-N 3.14Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.43Å; Q28-Y31 PolarHBondContact O-N 2.98Å; Q28-K32 WeakPolarHBondContact O-CG 3.44Å; Q28-K32 PolarHBondContact O-N 3.4Å
29E94.8Very high93.7Very high92 Ų9265.4 Ų65.443%0.4332%0.322SS..Hα-helixtrans-68-42.8177.7-70.6-57.6111.400111.7H25 E26 Y31 K32 G33H25-E29 WeakPolarHBondContact O-CG 3.27Å; H25-E29 PolarHBondContact O-N 2.96Å; E26-E29 PolarHBondContact O-N 3.31Å; E29-Y31 VanDerWaalsContact C-N 3.32Å; E29-Y31 PolarHBondContact O-N 2.95Å; E29-K32 PolarHBondContact O-N 3.34Å; E29-K32 IonicContact OE1-NZ 3.48Å; E29-K32 PolarHBondContact OE1-NZ 3.49Å; E29-G33 PolarHBondContact O-N 3.03Å
30W94.9Very high93.5Very high107 Ų10766.9 Ų66.941%0.40533%0.332SS..Hα-helixtrans-59.9-42.1171.9-82.9115.7000111.9F22 E26 I27 G33 F34 F82 F85 I86 L89F22-W30 AromaticContact CE1-NE1 3.8Å; E26-W30 WeakPolarHBondContact O-CB 3.44Å; E26-W30 VanDerWaalsContact O-CD1 3.22Å; E26-W30 PolarHBondContact O-N 3.06Å; I27-W30 PolarHBondContact O-N 3.2Å; W30-G33 PolarHBondContact O-N 3.33Å; W30-F34 VanDerWaalsContact O-CB 3.27Å; W30-F34 WeakPolarHBondContact O-CB 3.42Å; W30-F34 PolarHBondContact O-N 3.36Å; W30-F82 HydrophobicContact CB-CE2 3.97Å; W30-F82 HydrophobicContact CB-CZ 4Å; W30-F85 HydrophobicContact CD2-CE1 4.4Å; W30-F85 AromaticContact CE3-CE1 3.74Å; W30-F85 HydrophobicContact CE3-CE1 3.74Å; W30-F85 HydrophobicContact CE3-CZ 4.02Å; W30-F85 HydrophobicContact CZ3-CE1 4.12Å; W30-F85 AromaticContact CZ3-CZ 3.9Å; W30-F85 HydrophobicContact CZ3-CZ 3.9Å; W30-I86 HydrophobicContact CB-CD1 3.89Å; W30-I86 HydrophobicContact CD2-CD1 4.45Å; W30-I86 HydrophobicContact CG-CD1 3.76Å; W30-L89 HydrophobicContact CD2-CD2 4.02Å; W30-L89 HydrophobicContact CE3-CD2 4.26Å; W30-L89 HydrophobicContact CH2-CD2 3.81Å; W30-L89 HydrophobicContact CZ2-CD2 3.54Å; W30-L89 HydrophobicContact CZ3-CD2 4.16Å
31Y94.9Very high93.4Very high43 Ų4367.2 Ų67.217%0.16934%0.338CS..Hα-helixtrans-63.6-43.4179.3-174.1-120.2000112.4L8 I27 Q28 E29 F34 L35 F82L8-Y31 HydrophobicContact CD1-CD1 4.28Å; L8-Y31 HydrophobicContact CD1-CD2 4.36Å; L8-Y31 HydrophobicContact CD1-CG 3.98Å; L8-Y31 HydrophobicContact CD2-CD1 4.05Å; L8-Y31 HydrophobicContact CD2-CD2 3.7Å; L8-Y31 HydrophobicContact CD2-CE1 3.88Å; L8-Y31 HydrophobicContact CD2-CE2 3.53Å; L8-Y31 HydrophobicContact CD2-CG 3.94Å; L8-Y31 HydrophobicContact CG-CD1 3.66Å; L8-Y31 HydrophobicContact CG-CD2 4.07Å; L8-Y31 HydrophobicContact CG-CE1 3.83Å; L8-Y31 HydrophobicContact CG-CE2 4.23Å; L8-Y31 HydrophobicContact CG-CG 3.76Å; I27-Y31 VanDerWaalsContact O-CB 3.3Å; I27-Y31 WeakPolarHBondContact O-CB 3.45Å; I27-Y31 PolarHBondContact O-N 3Å; Q28-Y31 PolarHBondContact O-N 2.98Å; E29-Y31 VanDerWaalsContact C-N 3.32Å; E29-Y31 PolarHBondContact O-N 2.95Å; Y31-F34 PolarHBondContact O-N 3.05Å; Y31-L35 HydrophobicContact CD1-CD1 4.19Å; Y31-L35 HydrophobicContact CD2-CG 4.45Å; Y31-L35 HydrophobicContact CE1-CD1 3.61Å; Y31-L35 HydrophobicContact CE1-CG 4.43Å; Y31-L35 HydrophobicContact CE2-CD1 4.09Å; Y31-L35 HydrophobicContact CE2-CD2 4.38Å; Y31-L35 HydrophobicContact CE2-CG 4.1Å; Y31-L35 PolarHBondContact O-N 3.45Å; Y31-F82 VanDerWaalsContact CA-CE2 3.4Å; Y31-F82 VanDerWaalsContact CA-CZ 3.47Å; Y31-F82 HydrophobicContact CD2-CB 4.18Å; Y31-F82 AromaticContact CD2-CD1 3.45Å; Y31-F82 HydrophobicContact CD2-CD1 3.45Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.45Å; Y31-F82 AromaticContact CD2-CD2 3.91Å; Y31-F82 HydrophobicContact CD2-CD2 3.91Å; Y31-F82 AromaticContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE2 4.17Å; Y31-F82 AromaticContact CD2-CG 3.55Å; Y31-F82 HydrophobicContact CD2-CG 3.55Å; Y31-F82 HydrophobicContact CD2-CZ 4.08Å; Y31-F82 HydrophobicContact CE2-CB 4.29Å; Y31-F82 HydrophobicContact CE2-CD1 4.1Å; Y31-F82 HydrophobicContact CE2-CG 4.13Å; Y31-F82 HydrophobicContact CG-CD1 4.32Å; Y31-F82 HydrophobicContact CG-CE1 4.16Å; Y31-F82 HydrophobicContact CG-CZ 4.33Å
32K93.1Very high93.4Very high91 Ų9166.5 Ų66.540%0.39633%0.331SS..Hα-helixtrans-62.3-43.8174.9-70.9171.3-166.2163.50111.6Q28 E29 R36Q28-K32 WeakPolarHBondContact O-CG 3.44Å; Q28-K32 PolarHBondContact O-N 3.4Å; E29-K32 PolarHBondContact O-N 3.34Å; E29-K32 IonicContact OE1-NZ 3.48Å; E29-K32 PolarHBondContact OE1-NZ 3.49Å; K32-R36 WeakPolarHBondContact O-CB 3.17Å; K32-R36 PolarHBondContact O-N 2.75Å; K32-R36 VanDerWaalsContact O-N 3.07Å
33G92.5Very high93.4Very high15 Ų1566.2 Ų66.216%0.15533%0.33CS..Hα-helixtrans-62.1-46.4176.100000111.8E29 W30 L35 R36 D37E29-G33 PolarHBondContact O-N 3.03Å; W30-G33 PolarHBondContact O-N 3.33Å; G33-L35 PolarHBondContact O-N 3.19Å; G33-R36 WeakPolarHBondContact O-CB 3.37Å; G33-R36 PolarHBondContact O-N 2.97Å; G33-R36 VanDerWaalsContact O-N 3.14Å; G33-D37 PolarHBondContact O-N 3.08Å
34F92.5Very high93.3Very high13 Ų1364.6 Ų64.66%0.05732%0.322CS..Hα-helixtrans-61-44.9179.2-170.8-89.5000112.1W30 Y31 R36 D37 C38 G41 L43 F82 F85W30-F34 VanDerWaalsContact O-CB 3.27Å; W30-F34 WeakPolarHBondContact O-CB 3.42Å; W30-F34 PolarHBondContact O-N 3.36Å; Y31-F34 PolarHBondContact O-N 3.05Å; F34-R36 VanDerWaalsContact C-N 3.31Å; F34-R36 PolarHBondContact O-N 2.9Å; F34-D37 PolarHBondContact O-N 3.48Å; F34-C38 HydrophobicContact CD1-CB 4.45Å; F34-C38 HydrophobicContact CE1-CB 4.2Å; F34-C38 HydrophobicContact CZ-CB 4.45Å; F34-C38 WeakPolarHBondContact O-CA 3.49Å; F34-C38 WeakPolarHBondContact O-CB 3.33Å; F34-C38 PolarHBondContact O-N 3.48Å; F34-G41 WeakPolarHBondContact CE1-O 3.08Å; F34-L43 HydrophobicContact CE2-CB 4.28Å; F34-L43 HydrophobicContact CZ-CB 4.15Å; F34-F82 HydrophobicContact CB-CD2 3.67Å; F34-F82 HydrophobicContact CB-CE2 4.01Å; F34-F82 HydrophobicContact CD1-CB 4.06Å; F34-F82 AromaticContact CD1-CD2 3.99Å; F34-F82 HydrophobicContact CD1-CD2 3.99Å; F34-F82 HydrophobicContact CD1-CG 4.48Å; F34-F82 HydrophobicContact CD2-CD2 4.1Å; F34-F82 HydrophobicContact CE1-CB 4.12Å; F34-F82 AromaticContact CG-CD2 3.66Å; F34-F82 HydrophobicContact CG-CD2 3.66Å; F34-F82 HydrophobicContact CG-CE2 4.43Å; F34-F85 HydrophobicContact CD2-CB 4.33Å; F34-F85 AromaticContact CD2-CD1 3.83Å; F34-F85 HydrophobicContact CD2-CD1 3.83Å; F34-F85 HydrophobicContact CD2-CE1 4.29Å; F34-F85 AromaticContact CD2-CG 3.97Å; F34-F85 HydrophobicContact CD2-CG 3.97Å; F34-F85 HydrophobicContact CE2-CB 3.86Å; F34-F85 HydrophobicContact CE2-CD1 4.21Å; F34-F85 HydrophobicContact CE2-CD2 4.35Å; F34-F85 AromaticContact CE2-CG 3.88Å; F34-F85 HydrophobicContact CE2-CG 3.88Å
35L92.8Very high93.2Very high40 Ų4061.9 Ų61.921%0.20931%0.31CS..Hα-helixtrans-69.9-26.5176-70.7-177.3000113.7Y31 G33 C38 P39Y31-L35 HydrophobicContact CD1-CD1 4.19Å; Y31-L35 HydrophobicContact CD2-CG 4.45Å; Y31-L35 HydrophobicContact CE1-CD1 3.61Å; Y31-L35 HydrophobicContact CE1-CG 4.43Å; Y31-L35 HydrophobicContact CE2-CD1 4.09Å; Y31-L35 HydrophobicContact CE2-CD2 4.38Å; Y31-L35 HydrophobicContact CE2-CG 4.1Å; Y31-L35 PolarHBondContact O-N 3.45Å; G33-L35 PolarHBondContact O-N 3.19Å; L35-C38 CarbonylContact O-C 3.58Å; L35-P39 WeakPolarHBondContact O-CA 3.39Å
36R90.4Very high93.1Very high178 Ų17860.9 Ų60.967%0.67231%0.306SS*.Hα-helixtrans-68.3-42.4173.8-179-167.965.8-145.6-9.3110.6K32 G33 F34K32-R36 WeakPolarHBondContact O-CB 3.17Å; K32-R36 PolarHBondContact O-N 2.75Å; K32-R36 VanDerWaalsContact O-N 3.07Å; G33-R36 WeakPolarHBondContact O-CB 3.37Å; G33-R36 PolarHBondContact O-N 2.97Å; G33-R36 VanDerWaalsContact O-N 3.14Å; F34-R36 VanDerWaalsContact C-N 3.31Å; F34-R36 PolarHBondContact O-N 2.9Å
37D87.3Confident92.9Very high104 Ų10461.5 Ų61.556%0.55631%0.308SS*.Hα-helixtrans-88.2-29.7-173.6-57.9-17.4000111.5G33 F34G33-D37 PolarHBondContact O-N 3.08Å; F34-D37 PolarHBondContact O-N 3.48Å
38C90.3Very high92.7Very high7 Ų762 Ų625%0.04731%0.31CS..  trans-125.278.9175.1-56.50000110.9F34 L35 S40 G41 L43F34-C38 HydrophobicContact CD1-CB 4.45Å; F34-C38 HydrophobicContact CE1-CB 4.2Å; F34-C38 HydrophobicContact CZ-CB 4.45Å; F34-C38 WeakPolarHBondContact O-CA 3.49Å; F34-C38 WeakPolarHBondContact O-CB 3.33Å; F34-C38 PolarHBondContact O-N 3.48Å; L35-C38 CarbonylContact O-C 3.58Å; C38-S40 PolarHBondContact O-N 2.98Å; C38-G41 PolarHBondContact O-N 3.47Å; C38-L43 VanDerWaalsContact SG-CD1 3.52Å
39P90.3Very high92.6Very high93 Ų9361.3 Ų61.360%0.60431%0.307SS*.THydrogen-bonded Turntrans-60.6-19.5-177.2-25.635.4000115.2L35 G41L35-P39 WeakPolarHBondContact O-CA 3.39Å; P39-G41 PolarHBondContact O-N 2.58Å
40S91.7Very high92.3Very high80 Ų8063.5 Ų63.556%0.55932%0.315SS*.THydrogen-bonded Turntrans-70.6-14.817355.30000113.6C38 H42C38-S40 PolarHBondContact O-N 2.98Å; S40-H42 VanDerWaalsContact C-N 3.25Å; S40-H42 PolarHBondContact O-ND1 3.44Å; S40-H42 VanDerWaalsContact O-ND1 3.08Å; S40-H42 PolarHBondContact OG-N 2.89Å; S40-H42 PolarHBondContact OG-O 2.76Å
41G92.7Very high91.9Very high19 Ų1961.8 Ų61.820%0.19631%0.313CS..SBendtrans77.66.3-171.200000114.6F34 C38 P39F34-G41 WeakPolarHBondContact CE1-O 3.08Å; C38-G41 PolarHBondContact O-N 3.47Å; P39-G41 PolarHBondContact O-N 2.58Å
42H94.2Very high91.3Very high82 Ų8262 Ų6238%0.3831%0.314SS..EExtended strand (participates in β ladder)trans-139.1142-179.6-5579.7000109.6S40 T79 I80S40-H42 VanDerWaalsContact C-N 3.25Å; S40-H42 PolarHBondContact O-ND1 3.44Å; S40-H42 VanDerWaalsContact O-ND1 3.08Å; S40-H42 PolarHBondContact OG-N 2.89Å; S40-H42 PolarHBondContact OG-O 2.76Å; H42-T79 HydrophobicContact CB-CG2 4.45Å; H42-I80 WeakPolarHBondContact CA-O 3.49Å
43L94.1Very high90.9Very high6 Ų659.2 Ų59.23%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-101.3116.6176179.963.9000109.1F34 C38 E47 F48 I51 I80F34-L43 HydrophobicContact CE2-CB 4.28Å; F34-L43 HydrophobicContact CZ-CB 4.15Å; C38-L43 VanDerWaalsContact SG-CD1 3.52Å; L43-E47 HydrophobicContact CD1-CB 3.42Å; L43-E47 VanDerWaalsContact CD1-CB 3.42Å; L43-F48 HydrophobicContact CD2-CD2 3.59Å; L43-F48 HydrophobicContact CD2-CE2 4.36Å; L43-F48 HydrophobicContact CG-CB 4.38Å; L43-F48 HydrophobicContact CG-CD2 4.3Å; L43-I51 HydrophobicContact CD1-CD1 4.02Å; L43-I51 HydrophobicContact CD2-CD1 4.13Å; L43-I80 HydrophobicContact CB-CB 4.27Å; L43-I80 PolarHBondContact N-O 3.03Å; L43-I80 PolarHBondContact O-N 3.25Å
44S94.7Very high90.5Very high41 Ų4164.9 Ų64.929%0.28734%0.337SS..EExtended strand (participates in β ladder)trans-78.9159.3177.5650000112E46 E47 F48S44-E46 PolarHBondContact O-N 2.85Å; S44-E47 WeakPolarHBondContact CB-OE2 3.2Å; S44-E47 PolarHBondContact N-OE2 2.93Å; S44-E47 PolarHBondContact O-N 2.61Å; S44-E47 VanDerWaalsContact O-N 3.13Å; S44-E47 VanDerWaalsContact OG-CG 3.32Å; S44-E47 WeakPolarHBondContact OG-CG 3.44Å; S44-E47 PolarHBondContact OG-N 2.88Å; S44-E47 PolarHBondContact OG-OE2 2.99Å; S44-F48 WeakPolarHBondContact O-CB 3.46Å; S44-F48 PolarHBondContact O-N 3.12Å
45M94.5Very high89.9Confident49 Ų4971.7 Ų71.724%0.24137%0.367CS..Hα-helixtrans-51.4-42.1173.7179.165.276.300112.6F48 K49 E66 F69M45-F48 PolarHBondContact O-N 2.86Å; M45-K49 HydrophobicContact CG-CD 4.3Å; M45-K49 WeakPolarHBondContact O-CB 3.31Å; M45-K49 WeakPolarHBondContact O-CG 3.44Å; M45-K49 PolarHBondContact O-N 3.49Å; M45-K49 HydrophobicContact SD-CG 4.47Å; M45-E66 HydrophobicContact CE-CB 4.22Å; M45-E66 HydrophobicContact CE-CG 4.09Å; M45-E66 HydrophobicContact SD-CB 4.21Å; M45-E66 HydrophobicContact SD-CG 3.72Å; M45-F69 HydrophobicContact CB-CD2 4.41Å; M45-F69 HydrophobicContact CB-CE2 4.25Å; M45-F69 HydrophobicContact CB-CZ 4.38Å; M45-F69 HydrophobicContact CE-CB 3.58Å; M45-F69 HydrophobicContact CE-CD1 3.34Å; M45-F69 HydrophobicContact CE-CD2 4.19Å; M45-F69 HydrophobicContact CE-CE1 4.06Å; M45-F69 HydrophobicContact CE-CG 3.42Å; M45-F69 VanDerWaalsContact CE-CG 3.42Å; M45-F69 HydrophobicContact SD-CB 3.73Å; M45-F69 HydrophobicContact SD-CD1 4.25Å; M45-F69 HydrophobicContact SD-CD2 4Å; M45-F69 HydrophobicContact SD-CG 3.73Å
46E93Very high89.1Confident112 Ų11272.4 Ų72.452%0.52337%0.368SS..Hα-helixtrans-69.6-35.1-178.2-66.8-57.412100112.4S44 K49 K50S44-E46 PolarHBondContact O-N 2.85Å; E46-K49 IonicContact OE1-NZ 2.67Å; E46-K49 PolarHBondContact OE1-NZ 3.38Å; E46-K50 VanDerWaalsContact O-CG 3.3Å; E46-K50 WeakPolarHBondContact O-CG 3.08Å; E46-K50 PolarHBondContact O-N 3.37Å
47E91.9Very high88.5Confident66 Ų6668 Ų6831%0.30836%0.363SS..Hα-helixtrans-70.2-41172.1-69.7160.5148.200111.1L43 S44 K49 K50 I51L43-E47 HydrophobicContact CD1-CB 3.42Å; L43-E47 VanDerWaalsContact CD1-CB 3.42Å; S44-E47 WeakPolarHBondContact CB-OE2 3.2Å; S44-E47 PolarHBondContact N-OE2 2.93Å; S44-E47 PolarHBondContact O-N 2.61Å; S44-E47 VanDerWaalsContact O-N 3.13Å; S44-E47 VanDerWaalsContact OG-CG 3.32Å; S44-E47 WeakPolarHBondContact OG-CG 3.44Å; S44-E47 PolarHBondContact OG-N 2.88Å; S44-E47 PolarHBondContact OG-OE2 2.99Å; E47-K49 PolarHBondContact O-N 2.99Å; E47-K50 WeakPolarHBondContact O-CB 3.3Å; E47-K50 PolarHBondContact O-N 2.71Å; E47-K50 VanDerWaalsContact O-N 3.16Å; E47-I51 WeakPolarHBondContact O-CG1 3.39Å; E47-I51 PolarHBondContact O-N 2.82Å; E47-I51 VanDerWaalsContact O-N 3.09Å
48F91.6Very high88.1Confident10 Ų1072 Ų724%0.04437%0.372CS..Hα-helixtrans-60.7-44.8176.7-164.3-94000112.1L43 S44 M45 K50 I51 Y52 A65 V68 F69 F72 I80L43-F48 HydrophobicContact CD2-CD2 3.59Å; L43-F48 HydrophobicContact CD2-CE2 4.36Å; L43-F48 HydrophobicContact CG-CB 4.38Å; L43-F48 HydrophobicContact CG-CD2 4.3Å; S44-F48 WeakPolarHBondContact O-CB 3.46Å; S44-F48 PolarHBondContact O-N 3.12Å; M45-F48 PolarHBondContact O-N 2.86Å; F48-K50 VanDerWaalsContact C-N 3.32Å; F48-K50 PolarHBondContact O-N 3.14Å; F48-I51 WeakPolarHBondContact O-CB 3.38Å; F48-I51 PolarHBondContact O-N 2.95Å; F48-Y52 AromaticContact CD1-CD2 3.98Å; F48-Y52 HydrophobicContact CD1-CD2 3.98Å; F48-Y52 HydrophobicContact CD1-CE2 4.14Å; F48-Y52 AromaticContact CE1-CD2 3.57Å; F48-Y52 HydrophobicContact CE1-CD2 3.57Å; F48-Y52 AromaticContact CE1-CE2 3.28Å; F48-Y52 HydrophobicContact CE1-CE2 3.28Å; F48-Y52 HydrophobicContact CE2-CE2 4.36Å; F48-Y52 HydrophobicContact CZ-CD2 4.06Å; F48-Y52 AromaticContact CZ-CE2 3.42Å; F48-Y52 HydrophobicContact CZ-CE2 3.42Å; F48-Y52 VanDerWaalsContact CZ-CE2 3.42Å; F48-Y52 PolarHBondContact O-N 3.09Å; F48-Y52 VanDerWaalsContact O-N 3.11Å; F48-A65 HydrophobicContact CD1-CB 4.04Å; F48-A65 HydrophobicContact CE1-CB 4.3Å; F48-A65 WeakPolarHBondContact CE1-O 3.4Å; F48-V68 HydrophobicContact CE1-CB 3.98Å; F48-V68 HydrophobicContact CE1-CG1 3.91Å; F48-V68 HydrophobicContact CZ-CB 4.23Å; F48-V68 HydrophobicContact CZ-CG1 3.63Å; F48-F69 HydrophobicContact CB-CD2 3.7Å; F48-F69 HydrophobicContact CB-CE2 4.2Å; F48-F69 HydrophobicContact CD1-CB 4.08Å; F48-F69 HydrophobicContact CD1-CD2 4.13Å; F48-F69 HydrophobicContact CD2-CD2 4.16Å; F48-F69 HydrophobicContact CE1-CB 4.31Å; F48-F69 AromaticContact CG-CD2 3.74Å; F48-F69 HydrophobicContact CG-CD2 3.74Å; F48-F72 HydrophobicContact CE2-CD1 4.46Å; F48-I80 HydrophobicContact CD2-CD1 3.88Å; F48-I80 HydrophobicContact CE2-CD1 4Å
49K91.7Very high87.6Confident40 Ų4072.9 Ų72.917%0.17438%0.382CS..Hα-helixtrans-59.1-40.7173.4-76.8173.9178.4174.20112.4M45 E46 E47 I51 Y52 G53 A65 E66M45-K49 HydrophobicContact CG-CD 4.3Å; M45-K49 WeakPolarHBondContact O-CB 3.31Å; M45-K49 WeakPolarHBondContact O-CG 3.44Å; M45-K49 PolarHBondContact O-N 3.49Å; M45-K49 HydrophobicContact SD-CG 4.47Å; E46-K49 IonicContact OE1-NZ 2.67Å; E46-K49 PolarHBondContact OE1-NZ 3.38Å; E47-K49 PolarHBondContact O-N 2.99Å; K49-I51 VanDerWaalsContact C-N 3.33Å; K49-I51 PolarHBondContact O-N 3.04Å; K49-Y52 PolarHBondContact O-N 2.99Å; K49-G53 PolarHBondContact O-N 3.49Å; K49-A65 HydrophobicContact CG-CB 4Å; K49-E66 WeakPolarHBondContact CE-OE1 3.47Å; K49-E66 IonicContact NZ-OE1 3.39Å; K49-E66 PolarHBondContact NZ-OE1 3.35Å
50K89.4Confident87.4Confident137 Ų13771.6 Ų71.660%0.59637%0.37SS*.Hα-helixtrans-61.9-40.7176.2-72.3169-171171.70111.8E46 E47 F48 G53 N54E46-K50 VanDerWaalsContact O-CG 3.3Å; E46-K50 WeakPolarHBondContact O-CG 3.08Å; E46-K50 PolarHBondContact O-N 3.37Å; E47-K50 WeakPolarHBondContact O-CB 3.3Å; E47-K50 PolarHBondContact O-N 2.71Å; E47-K50 VanDerWaalsContact O-N 3.16Å; F48-K50 VanDerWaalsContact C-N 3.32Å; F48-K50 PolarHBondContact O-N 3.14Å; K50-G53 PolarHBondContact O-N 3.04Å; K50-N54 VanDerWaalsContact O-CG 3.29Å; K50-N54 PolarHBondContact O-N 3.09Å; K50-N54 VanDerWaalsContact O-N 3.1Å; K50-N54 PolarHBondContact O-ND2 3.24Å
51I86Confident87.3Confident72 Ų7268 Ų6837%0.36935%0.346SS..Hα-helixtrans-59-51.1175.7-64.4167.7000109.7L43 E47 F48 K49 G53 N54 F55L43-I51 HydrophobicContact CD1-CD1 4.02Å; L43-I51 HydrophobicContact CD2-CD1 4.13Å; E47-I51 WeakPolarHBondContact O-CG1 3.39Å; E47-I51 PolarHBondContact O-N 2.82Å; E47-I51 VanDerWaalsContact O-N 3.09Å; F48-I51 WeakPolarHBondContact O-CB 3.38Å; F48-I51 PolarHBondContact O-N 2.95Å; K49-I51 VanDerWaalsContact C-N 3.33Å; K49-I51 PolarHBondContact O-N 3.04Å; I51-G53 PolarHBondContact O-N 3.5Å; I51-N54 WeakPolarHBondContact O-CB 3.08Å; I51-N54 PolarHBondContact O-N 3.49Å; I51-F55 HydrophobicContact CG2-CD2 4.21Å; I51-F55 HydrophobicContact CG2-CE2 3.78Å; I51-F55 WeakPolarHBondContact O-CD2 3.49Å; I51-F55 PolarHBondContact O-N 3.31Å
52Y82.1Confident87.2Confident48 Ų4869.5 Ų69.519%0.18835%0.353CS..Hα-helixtrans-62.3-40.8178-93.9-101.3000113.1F48 K49 N54 F55 F56 A61 F64 A65 V68F48-Y52 AromaticContact CD1-CD2 3.98Å; F48-Y52 HydrophobicContact CD1-CD2 3.98Å; F48-Y52 HydrophobicContact CD1-CE2 4.14Å; F48-Y52 AromaticContact CE1-CD2 3.57Å; F48-Y52 HydrophobicContact CE1-CD2 3.57Å; F48-Y52 AromaticContact CE1-CE2 3.28Å; F48-Y52 HydrophobicContact CE1-CE2 3.28Å; F48-Y52 HydrophobicContact CE2-CE2 4.36Å; F48-Y52 HydrophobicContact CZ-CD2 4.06Å; F48-Y52 AromaticContact CZ-CE2 3.42Å; F48-Y52 HydrophobicContact CZ-CE2 3.42Å; F48-Y52 VanDerWaalsContact CZ-CE2 3.42Å; F48-Y52 PolarHBondContact O-N 3.09Å; F48-Y52 VanDerWaalsContact O-N 3.11Å; K49-Y52 PolarHBondContact O-N 2.99Å; Y52-N54 VanDerWaalsContact C-N 3.25Å; Y52-N54 PolarHBondContact O-N 3.1Å; Y52-F55 PolarHBondContact O-N 3.37Å; Y52-F55 VanDerWaalsContact O-N 3.09Å; Y52-F56 HydrophobicContact CD1-CD2 4.4Å; Y52-F56 HydrophobicContact CD1-CE2 4.28Å; Y52-F56 PolarHBondContact O-N 3.46Å; Y52-A61 HydrophobicContact CD1-CB 4.45Å; Y52-F64 HydrophobicContact CD1-CD1 4.2Å; Y52-F64 AromaticContact CE1-CD1 3.75Å; Y52-F64 HydrophobicContact CE1-CD1 3.75Å; Y52-F64 AromaticContact CE1-CE1 3.87Å; Y52-F64 HydrophobicContact CE1-CE1 3.87Å; Y52-A65 HydrophobicContact CD1-CB 4.32Å; Y52-A65 HydrophobicContact CD2-CB 4.14Å; Y52-A65 HydrophobicContact CG-CB 3.84Å; Y52-V68 HydrophobicContact CE1-CG2 4.49Å
53G85Confident87.1Confident31 Ų3169.8 Ų69.832%0.3235%0.353SS..Hα-helixtrans-59.6-34.3176.500000113.1K49 K50 I51 F55 F56 P57K49-G53 PolarHBondContact O-N 3.49Å; K50-G53 PolarHBondContact O-N 3.04Å; I51-G53 PolarHBondContact O-N 3.5Å; G53-F55 VanDerWaalsContact C-N 3.34Å; G53-F55 PolarHBondContact O-N 2.82Å; G53-F56 CarbonylContact O-C 3.51Å; G53-F56 PolarHBondContact O-N 3.09Å; G53-P57 WeakPolarHBondContact O-CA 3.41Å
54N84.3Confident86.9Confident134 Ų13471 Ų7172%0.71736%0.358SS*.Hα-helixtrans-68.4-31.8175.9-68.5-24.9000113K50 I51 Y52K50-N54 VanDerWaalsContact O-CG 3.29Å; K50-N54 PolarHBondContact O-N 3.09Å; K50-N54 VanDerWaalsContact O-N 3.1Å; K50-N54 PolarHBondContact O-ND2 3.24Å; I51-N54 WeakPolarHBondContact O-CB 3.08Å; I51-N54 PolarHBondContact O-N 3.49Å; Y52-N54 VanDerWaalsContact C-N 3.25Å; Y52-N54 PolarHBondContact O-N 3.1Å
55F79.4Confident86.7Confident157 Ų15769 Ų6969%0.68934%0.344SS*.Hα-helixtrans-81.1-29.1177.6-71.9-69.7000113.2I51 Y52 G53 P57I51-F55 HydrophobicContact CG2-CD2 4.21Å; I51-F55 HydrophobicContact CG2-CE2 3.78Å; I51-F55 WeakPolarHBondContact O-CD2 3.49Å; I51-F55 PolarHBondContact O-N 3.31Å; Y52-F55 PolarHBondContact O-N 3.37Å; Y52-F55 VanDerWaalsContact O-N 3.09Å; G53-F55 VanDerWaalsContact C-N 3.34Å; G53-F55 PolarHBondContact O-N 2.82Å; F55-P57 VanDerWaalsContact O-CD 3.3Å; F55-P57 WeakPolarHBondContact O-CD 3.24Å
56F76.7Confident86.7Confident54 Ų5470.1 Ų70.124%0.23735%0.349CS..  trans-12160.5-179.7-60.9-82.9000111.2Y52 G53 Y58 G59 A61 M131Y52-F56 HydrophobicContact CD1-CD2 4.4Å; Y52-F56 HydrophobicContact CD1-CE2 4.28Å; Y52-F56 PolarHBondContact O-N 3.46Å; G53-F56 CarbonylContact O-C 3.51Å; G53-F56 PolarHBondContact O-N 3.09Å; F56-Y58 PolarHBondContact O-N 3.47Å; F56-G59 PolarHBondContact O-N 3.19Å; F56-G59 VanDerWaalsContact O-N 3.09Å; F56-A61 HydrophobicContact CB-CB 4.09Å; F56-A61 HydrophobicContact CD2-CB 4.25Å; F56-A61 HydrophobicContact CG-CB 4.48Å; F56-M131 HydrophobicContact CB-CG 4.15Å; F56-M131 HydrophobicContact CD1-CG 3.91Å; F56-M131 HydrophobicContact CD1-SD 4.26Å; F56-M131 HydrophobicContact CD2-CG 4.19Å; F56-M131 HydrophobicContact CD2-SD 3.82Å; F56-M131 HydrophobicContact CE1-CE 4.24Å; F56-M131 HydrophobicContact CE1-CG 4.36Å; F56-M131 HydrophobicContact CE1-SD 4.25Å; F56-M131 HydrophobicContact CE2-CE 4.45Å; F56-M131 HydrophobicContact CE2-SD 3.82Å; F56-M131 HydrophobicContact CG-CG 3.81Å; F56-M131 HydrophobicContact CG-SD 4.05Å; F56-M131 HydrophobicContact CZ-CE 4.11Å; F56-M131 HydrophobicContact CZ-SD 4.03Å
57P77.4Confident86.7Confident87 Ų8765.4 Ų65.457%0.56533%0.327SS*.THydrogen-bonded Turntrans-65.2-17.7-170.826.9-36.1000113.9G53 F55G53-P57 WeakPolarHBondContact O-CA 3.41Å; F55-P57 VanDerWaalsContact O-CD 3.3Å; F55-P57 WeakPolarHBondContact O-CD 3.24Å
58Y79Confident86.7Confident187 Ų18762.3 Ų62.373%0.73331%0.313SS*.THydrogen-bonded Turntrans-100.3-3.8-178.6-55.8-68.8000113.4F56 S134F56-Y58 PolarHBondContact O-N 3.47Å; Y58-S134 VanDerWaalsContact C-OG 3.24Å; Y58-S134 VanDerWaalsContact O-CB 3.24Å; Y58-S134 WeakPolarHBondContact O-CB 3.38Å; Y58-S134 PolarHBondContact O-OG 3.39Å
59G80Confident86.8Confident26 Ų2662 Ų6227%0.26831%0.311SS..SBendtrans-123172.7-177.900000112.6F56 M131F56-G59 PolarHBondContact O-N 3.19Å; F56-G59 VanDerWaalsContact O-N 3.09Å; G59-M131 WeakPolarHBondContact CA-O 3.49Å
60D87.2Confident86.9Confident66 Ų6664.4 Ų64.435%0.35332%0.319SS..  trans-97.492.4170.1179.113.8000109.7S62 K130 M131D60-S62 VanDerWaalsContact C-N 3.27Å; D60-S62 WeakPolarHBondContact OD1-CB 3.31Å; D60-S62 PolarHBondContact OD1-N 3.41Å; D60-S62 PolarHBondContact OD1-OG 3.47Å; D60-K130 HydrophobicContact CB-CB 4.39Å; D60-K130 PolarHBondContact N-O 3.16Å; D60-K130 VanDerWaalsContact N-O 3.12Å; D60-K130 CarbonylContact O-C 3.38Å; D60-M131 WeakPolarHBondContact O-CA 3.39Å; D60-M131 PolarHBondContact O-N 3.23Å
61A88Confident86.9Confident5 Ų559 Ų594%0.04130%0.298CS..  trans-81.6-2.5176.700000113.3Y52 F56 K63 F64 A65 M131Y52-A61 HydrophobicContact CD1-CB 4.45Å; F56-A61 HydrophobicContact CB-CB 4.09Å; F56-A61 HydrophobicContact CD2-CB 4.25Å; F56-A61 HydrophobicContact CG-CB 4.48Å; A61-K63 PolarHBondContact O-N 2.67Å; A61-F64 PolarHBondContact O-N 2.85Å; A61-A65 VanDerWaalsContact O-CB 3.27Å; A61-A65 WeakPolarHBondContact O-CB 3.24Å; A61-A65 PolarHBondContact O-N 2.88Å; A61-M131 HydrophobicContact CB-CG 3.87Å; A61-M131 HydrophobicContact CB-SD 3.98Å
62S91.2Very high87.3Confident50 Ų5056.5 Ų56.535%0.3528%0.284SS..Hα-helixtrans-62-48.1-167.4-45.10000112.3D60 A65 E66D60-S62 VanDerWaalsContact C-N 3.27Å; D60-S62 WeakPolarHBondContact OD1-CB 3.31Å; D60-S62 PolarHBondContact OD1-N 3.41Å; D60-S62 PolarHBondContact OD1-OG 3.47Å; S62-A65 WeakPolarHBondContact O-CB 3.3Å; S62-A65 PolarHBondContact O-N 2.93Å; S62-E66 WeakPolarHBondContact O-CG 3.4Å; S62-E66 PolarHBondContact O-N 3.31Å
63K91.6Very high87.9Confident87 Ų8755.1 Ų55.138%0.37828%0.28SS..Hα-helixtrans-66.7-40.3177.7-75.6-161.3167.2-149.60112.5A61 A65 E66 H67 A127A61-K63 PolarHBondContact O-N 2.67Å; K63-A65 VanDerWaalsContact C-N 3.3Å; K63-A65 PolarHBondContact O-N 2.84Å; K63-E66 WeakPolarHBondContact O-CB 3.34Å; K63-E66 PolarHBondContact O-N 3.34Å; K63-H67 PolarHBondContact O-CD2 3.31Å; K63-H67 PolarHBondContact O-N 3.11Å; K63-A127 HydrophobicContact CB-CB 3.83Å
64F90Very high88.2Confident31 Ų3157.8 Ų57.814%0.13630%0.299CS..Hα-helixtrans-64.7-41.1178-173.9-105.7000110.7Y52 A61 E66 H67 V68 M107 A127 I128 M131Y52-F64 HydrophobicContact CD1-CD1 4.2Å; Y52-F64 AromaticContact CE1-CD1 3.75Å; Y52-F64 HydrophobicContact CE1-CD1 3.75Å; Y52-F64 AromaticContact CE1-CE1 3.87Å; Y52-F64 HydrophobicContact CE1-CE1 3.87Å; A61-F64 PolarHBondContact O-N 2.85Å; F64-E66 VanDerWaalsContact C-N 3.31Å; F64-E66 PolarHBondContact O-N 3.31Å; F64-H67 PolarHBondContact O-N 3.34Å; F64-V68 HydrophobicContact CD1-CG2 4.05Å; F64-V68 HydrophobicContact CE1-CG2 3.69Å; F64-V68 HydrophobicContact CZ-CG2 3.95Å; F64-V68 WeakPolarHBondContact O-CG2 3.46Å; F64-V68 PolarHBondContact O-N 3.12Å; F64-M107 HydrophobicContact CE2-SD 4.05Å; F64-M107 HydrophobicContact CZ-SD 4.29Å; F64-A127 HydrophobicContact CB-CB 4.33Å; F64-I128 HydrophobicContact CD2-CD1 4.5Å; F64-I128 HydrophobicContact CD2-CG1 3.61Å; F64-I128 HydrophobicContact CE2-CD1 4.06Å; F64-I128 HydrophobicContact CE2-CG1 3.6Å; F64-M131 HydrophobicContact CB-SD 3.97Å; F64-M131 HydrophobicContact CD1-CE 3.76Å; F64-M131 HydrophobicContact CD1-SD 3.5Å; F64-M131 VanDerWaalsContact CD1-SD 3.5Å; F64-M131 HydrophobicContact CE1-CE 4.02Å; F64-M131 HydrophobicContact CE1-SD 4.25Å; F64-M131 HydrophobicContact CG-CE 4.08Å; F64-M131 HydrophobicContact CG-SD 3.89Å
65A91.7Very high88.7Confident0 Ų055.9 Ų55.90%029%0.289CS..Hα-helixtrans-59.8-38.8173.900000112.1F48 K49 Y52 A61 S62 K63 V68 F69F48-A65 HydrophobicContact CD1-CB 4.04Å; F48-A65 HydrophobicContact CE1-CB 4.3Å; F48-A65 WeakPolarHBondContact CE1-O 3.4Å; K49-A65 HydrophobicContact CG-CB 4Å; Y52-A65 HydrophobicContact CD1-CB 4.32Å; Y52-A65 HydrophobicContact CD2-CB 4.14Å; Y52-A65 HydrophobicContact CG-CB 3.84Å; A61-A65 VanDerWaalsContact O-CB 3.27Å; A61-A65 WeakPolarHBondContact O-CB 3.24Å; A61-A65 PolarHBondContact O-N 2.88Å; S62-A65 WeakPolarHBondContact O-CB 3.3Å; S62-A65 PolarHBondContact O-N 2.93Å; K63-A65 VanDerWaalsContact C-N 3.3Å; K63-A65 PolarHBondContact O-N 2.84Å; A65-V68 PolarHBondContact O-N 2.9Å; A65-F69 WeakPolarHBondContact O-CB 3.37Å; A65-F69 PolarHBondContact O-N 2.98Å
66E93.8Very high89.4Confident72 Ų7251.3 Ų51.334%0.33629%0.286SS..Hα-helixtrans-60.2-44.8174.1-71.6167.6-177.600112.6M45 K49 S62 K63 F64 F69 R70M45-E66 HydrophobicContact CE-CB 4.22Å; M45-E66 HydrophobicContact CE-CG 4.09Å; M45-E66 HydrophobicContact SD-CB 4.21Å; M45-E66 HydrophobicContact SD-CG 3.72Å; K49-E66 WeakPolarHBondContact CE-OE1 3.47Å; K49-E66 IonicContact NZ-OE1 3.39Å; K49-E66 PolarHBondContact NZ-OE1 3.35Å; S62-E66 WeakPolarHBondContact O-CG 3.4Å; S62-E66 PolarHBondContact O-N 3.31Å; K63-E66 WeakPolarHBondContact O-CB 3.34Å; K63-E66 PolarHBondContact O-N 3.34Å; F64-E66 VanDerWaalsContact C-N 3.31Å; F64-E66 PolarHBondContact O-N 3.31Å; E66-F69 PolarHBondContact O-N 2.92Å; E66-R70 PolarHBondContact O-N 3.4Å; E66-R70 VanDerWaalsContact O-N 3.08Å
67H92.4Very high90.3Very high14 Ų1452.9 Ų52.97%0.06530%0.297CS..Hα-helixtrans-67.4-40.7178.2-64.7-60.1000112.5K63 F64 R70 T71 M107 E123 I124K63-H67 PolarHBondContact O-CD2 3.31Å; K63-H67 PolarHBondContact O-N 3.11Å; F64-H67 PolarHBondContact O-N 3.34Å; H67-R70 PolarHBondContact O-N 3.41Å; H67-T71 PolarHBondContact O-N 3.07Å; H67-M107 HydrophobicContact CB-CG 4.26Å; H67-E123 IonicContact CE1-OE1 3.3Å; H67-E123 PolarHBondContact CE1-OE1 3.4Å; H67-E123 VanDerWaalsContact CE1-OE1 3.3Å; H67-E123 IonicContact NE2-OE1 3.82Å; H67-I124 HydrophobicContact CB-CD1 3.7Å; H67-I124 VanDerWaalsContact CD2-CD1 3.41Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.3Å; H67-I124 WeakPolarHBondContact ND1-CD1 3.13Å
68V92.1Very high91.1Very high1 Ų150.7 Ų50.71%0.00629%0.29CS..Hα-helixtrans-63.4-45.2174.5177.80000110.1F48 Y52 F64 A65 R70 T71 F72 W103 M107F48-V68 HydrophobicContact CE1-CB 3.98Å; F48-V68 HydrophobicContact CE1-CG1 3.91Å; F48-V68 HydrophobicContact CZ-CB 4.23Å; F48-V68 HydrophobicContact CZ-CG1 3.63Å; Y52-V68 HydrophobicContact CE1-CG2 4.49Å; F64-V68 HydrophobicContact CD1-CG2 4.05Å; F64-V68 HydrophobicContact CE1-CG2 3.69Å; F64-V68 HydrophobicContact CZ-CG2 3.95Å; F64-V68 WeakPolarHBondContact O-CG2 3.46Å; F64-V68 PolarHBondContact O-N 3.12Å; A65-V68 PolarHBondContact O-N 2.9Å; V68-R70 VanDerWaalsContact C-N 3.3Å; V68-R70 PolarHBondContact O-N 2.89Å; V68-T71 PolarHBondContact O-N 2.7Å; V68-T71 PolarHBondContact O-OG1 3.44Å; V68-F72 HydrophobicContact CG1-CD2 3.84Å; V68-F72 HydrophobicContact CG1-CE2 3.64Å; V68-F72 HydrophobicContact CG1-CZ 4.42Å; V68-F72 WeakPolarHBondContact O-CD2 3.42Å; V68-F72 PolarHBondContact O-N 3.35Å; V68-F72 VanDerWaalsContact O-N 3.17Å; V68-W103 HydrophobicContact CG1-CH2 4.46Å; V68-W103 HydrophobicContact CG1-CZ2 4.32Å; V68-M107 HydrophobicContact CB-CE 4.46Å; V68-M107 HydrophobicContact CG2-CE 3.74Å; V68-M107 HydrophobicContact CG2-SD 4.3Å
69F93.6Very high92Very high4 Ų443.6 Ų43.62%0.01827%0.267CS..Hα-helixtrans-55.3-46.7179.5-174.6-78.5000111.4M45 F48 A65 E66 T71 F72 D73 G78 I80M45-F69 HydrophobicContact CB-CD2 4.41Å; M45-F69 HydrophobicContact CB-CE2 4.25Å; M45-F69 HydrophobicContact CB-CZ 4.38Å; M45-F69 HydrophobicContact CE-CB 3.58Å; M45-F69 HydrophobicContact CE-CD1 3.34Å; M45-F69 HydrophobicContact CE-CD2 4.19Å; M45-F69 HydrophobicContact CE-CE1 4.06Å; M45-F69 HydrophobicContact CE-CG 3.42Å; M45-F69 VanDerWaalsContact CE-CG 3.42Å; M45-F69 HydrophobicContact SD-CB 3.73Å; M45-F69 HydrophobicContact SD-CD1 4.25Å; M45-F69 HydrophobicContact SD-CD2 4Å; M45-F69 HydrophobicContact SD-CG 3.73Å; F48-F69 HydrophobicContact CB-CD2 3.7Å; F48-F69 HydrophobicContact CB-CE2 4.2Å; F48-F69 HydrophobicContact CD1-CB 4.08Å; F48-F69 HydrophobicContact CD1-CD2 4.13Å; F48-F69 HydrophobicContact CD2-CD2 4.16Å; F48-F69 HydrophobicContact CE1-CB 4.31Å; F48-F69 AromaticContact CG-CD2 3.74Å; F48-F69 HydrophobicContact CG-CD2 3.74Å; A65-F69 WeakPolarHBondContact O-CB 3.37Å; A65-F69 PolarHBondContact O-N 2.98Å; E66-F69 PolarHBondContact O-N 2.92Å; F69-T71 PolarHBondContact O-N 2.85Å; F69-T71 VanDerWaalsContact O-N 3.17Å; F69-F72 WeakPolarHBondContact O-CA 3.32Å; F69-F72 WeakPolarHBondContact O-CB 3.43Å; F69-F72 PolarHBondContact O-N 3.27Å; F69-D73 HydrophobicContact CD1-CB 4.05Å; F69-D73 HydrophobicContact CE1-CB 3.78Å; F69-D73 WeakPolarHBondContact O-CB 3.48Å; F69-D73 PolarHBondContact O-N 2.78Å; F69-G78 WeakPolarHBondContact CZ-O 3.48Å; F69-I80 HydrophobicContact CD2-CD1 3.34Å; F69-I80 HydrophobicContact CD2-CG1 4.02Å; F69-I80 HydrophobicContact CE1-CG1 4.31Å; F69-I80 HydrophobicContact CE2-CD1 3.45Å; F69-I80 VanDerWaalsContact CE2-CD1 3.45Å; F69-I80 HydrophobicContact CE2-CG1 3.66Å; F69-I80 HydrophobicContact CG-CD1 3.92Å; F69-I80 HydrophobicContact CG-CG1 4.49Å; F69-I80 HydrophobicContact CZ-CD1 4.1Å; F69-I80 HydrophobicContact CZ-CG1 3.83Å
70R93.4Very high92.7Very high89 Ų8942.4 Ų42.434%0.33625%0.254SS..Hα-helixtrans-57.9-31.3177.4-171.1-169.964.7-168.8-5113.3E66 H67 V68 M107 L110E66-R70 PolarHBondContact O-N 3.4Å; E66-R70 VanDerWaalsContact O-N 3.08Å; H67-R70 PolarHBondContact O-N 3.41Å; V68-R70 VanDerWaalsContact C-N 3.3Å; V68-R70 PolarHBondContact O-N 2.89Å; R70-M107 PolarHBondContact NH2-O 3.2Å; R70-L110 VanDerWaalsContact NH1-CB 3.3Å; R70-L110 PolarHBondContact NH1-O 3.4Å
71T90.9Very high93.2Very high25 Ų2541.4 Ų41.415%0.15325%0.248CC..Hα-helixtrans-82.7-13.8176.562.90000114H67 V68 F69 W103 M107H67-T71 PolarHBondContact O-N 3.07Å; V68-T71 PolarHBondContact O-N 2.7Å; V68-T71 PolarHBondContact O-OG1 3.44Å; F69-T71 PolarHBondContact O-N 2.85Å; F69-T71 VanDerWaalsContact O-N 3.17Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.36Å; T71-W103 PolarHBondContact OG1-NE1 3.43Å; T71-M107 VanDerWaalsContact CG2-CA 3.42Å; T71-M107 HydrophobicContact CG2-CB 3.75Å; T71-M107 HydrophobicContact CG2-CG 4.13Å
72F93.4Very high93.5Very high18 Ų1841.8 Ų41.88%0.07925%0.249CC..Hα-helixtrans-91.2-43.2174.1-85-129.6000110.6F48 V68 F69 A74 I80 E84 F85 A88 W103F48-F72 HydrophobicContact CE2-CD1 4.46Å; V68-F72 HydrophobicContact CG1-CD2 3.84Å; V68-F72 HydrophobicContact CG1-CE2 3.64Å; V68-F72 HydrophobicContact CG1-CZ 4.42Å; V68-F72 WeakPolarHBondContact O-CD2 3.42Å; V68-F72 PolarHBondContact O-N 3.35Å; V68-F72 VanDerWaalsContact O-N 3.17Å; F69-F72 WeakPolarHBondContact O-CA 3.32Å; F69-F72 WeakPolarHBondContact O-CB 3.43Å; F69-F72 PolarHBondContact O-N 3.27Å; F72-A74 VanDerWaalsContact C-N 3.25Å; F72-A74 PolarHBondContact O-N 3.04Å; F72-I80 HydrophobicContact CB-CD1 3.42Å; F72-I80 VanDerWaalsContact CB-CD1 3.42Å; F72-I80 HydrophobicContact CB-CG1 3.82Å; F72-I80 HydrophobicContact CB-CG2 4.41Å; F72-I80 HydrophobicContact CD1-CD1 4.18Å; F72-I80 HydrophobicContact CD1-CG2 4.48Å; F72-I80 HydrophobicContact CG-CD1 4.15Å; F72-E84 WeakPolarHBondContact O-CB 3.32Å; F72-F85 HydrophobicContact CE1-CD2 4.42Å; F72-A88 HydrophobicContact CB-CB 4.4Å; F72-A88 HydrophobicContact CD1-CB 3.47Å; F72-A88 VanDerWaalsContact CD1-CB 3.47Å; F72-A88 HydrophobicContact CD2-CB 3.63Å; F72-A88 HydrophobicContact CE1-CB 3.47Å; F72-A88 VanDerWaalsContact CE1-CB 3.47Å; F72-A88 HydrophobicContact CE2-CB 3.63Å; F72-A88 HydrophobicContact CG-CB 3.55Å; F72-A88 HydrophobicContact CZ-CB 3.54Å; F72-W103 HydrophobicContact CD2-CZ2 4.06Å; F72-W103 HydrophobicContact CE2-CH2 4.4Å; F72-W103 AromaticContact CE2-CZ2 3.59Å; F72-W103 HydrophobicContact CE2-CZ2 3.59Å
73D95.4Very high93.8Very high19 Ų1944.2 Ų44.210%0.10225%0.251CS..  trans-69.679.1173.61797000109.7F69 N75 G76 D77 G78 I80F69-D73 HydrophobicContact CD1-CB 4.05Å; F69-D73 HydrophobicContact CE1-CB 3.78Å; F69-D73 WeakPolarHBondContact O-CB 3.48Å; F69-D73 PolarHBondContact O-N 2.78Å; D73-N75 VanDerWaalsContact C-N 3.3Å; D73-N75 PolarHBondContact OD1-OD1 3.5Å; D73-G76 WeakPolarHBondContact OD1-CA 3.11Å; D73-G76 PolarHBondContact OD1-N 2.98Å; D73-D77 PolarHBondContact OD1-N 2.97Å; D73-G78 VanDerWaalsContact OD2-CA 3.29Å; D73-G78 WeakPolarHBondContact OD2-CA 3.4Å; D73-G78 PolarHBondContact OD2-N 3.47Å; D73-I80 HydrophobicContact CB-CG1 4.3Å
74A91.6Very high94Very high88 Ų8840.7 Ų40.773%0.72724%0.236SC*.SBendtrans-75.1-24.8-173.200000111.6F72 E84F72-A74 VanDerWaalsContact C-N 3.25Å; F72-A74 PolarHBondContact O-N 3.04Å; A74-E84 HydrophobicContact CB-CG 4.4Å; A74-E84 PolarHBondContact N-OE1 2.81Å
75N93.7Very high94.2Very high93 Ų9341 Ų4150%0.49724%0.237SC..SBendtrans-90.3-15.4178.377.314000113.2D73 D77 E84D73-N75 VanDerWaalsContact C-N 3.3Å; D73-N75 PolarHBondContact OD1-OD1 3.5Å; N75-D77 PolarHBondContact ND2-OD2 2.88Å; N75-D77 WeakPolarHBondContact OD1-CB 3.14Å; N75-D77 PolarHBondContact OD1-N 3.2Å; N75-D77 PolarHBondContact OD1-OD2 2.91Å; N75-E84 PolarHBondContact N-OE1 3.13Å; N75-E84 VanDerWaalsContact N-OE1 3.09Å
76G93.5Very high94.4Very high61 Ų6141 Ų4163%0.62924%0.237SC*.  trans75.224.7177.900000114.4D73 G78D73-G76 WeakPolarHBondContact OD1-CA 3.11Å; D73-G76 PolarHBondContact OD1-N 2.98Å; G76-G78 VanDerWaalsContact C-N 3.31Å
77D95.9Very high94.4Very high88 Ų8839.5 Ų39.547%0.47123%0.231SC..SBendtrans-85.1-3.7-17777.221.6000113.9D73 N75 T79D73-D77 PolarHBondContact OD1-N 2.97Å; N75-D77 PolarHBondContact ND2-OD2 2.88Å; N75-D77 WeakPolarHBondContact OD1-CB 3.14Å; N75-D77 PolarHBondContact OD1-N 3.2Å; N75-D77 PolarHBondContact OD1-OD2 2.91Å; D77-T79 VanDerWaalsContact C-N 3.33Å; D77-T79 WeakPolarHBondContact OD1-CA 3.34Å; D77-T79 WeakPolarHBondContact OD1-CB 3.44Å; D77-T79 PolarHBondContact OD1-N 3.3Å; D77-T79 PolarHBondContact OD1-OG1 3.48Å
78G95.4Very high94.4Very high40 Ų4039.2 Ų39.241%0.41223%0.231SC..SBendtrans84.76.6179.800000113.7F69 D73 G76F69-G78 WeakPolarHBondContact CZ-O 3.48Å; D73-G78 VanDerWaalsContact OD2-CA 3.29Å; D73-G78 WeakPolarHBondContact OD2-CA 3.4Å; D73-G78 PolarHBondContact OD2-N 3.47Å; G76-G78 VanDerWaalsContact C-N 3.31Å
79T96.4Very high94.4Very high39 Ų3940.8 Ų40.824%0.23924%0.239CC..EExtended strand (participates in β ladder)trans-129.8160.1173.7700000110.7H42 D77H42-T79 HydrophobicContact CB-CG2 4.45Å; D77-T79 VanDerWaalsContact C-N 3.33Å; D77-T79 WeakPolarHBondContact OD1-CA 3.34Å; D77-T79 WeakPolarHBondContact OD1-CB 3.44Å; D77-T79 PolarHBondContact OD1-N 3.3Å; D77-T79 PolarHBondContact OD1-OG1 3.48Å
80I96.4Very high94.3Very high0 Ų040.8 Ų40.80%024%0.239CC..EExtended strand (participates in β ladder)trans-110.9114.8170.8-65.4164000107.4H42 L43 F48 F69 F72 D73 E84 F85H42-I80 WeakPolarHBondContact CA-O 3.49Å; L43-I80 HydrophobicContact CB-CB 4.27Å; L43-I80 PolarHBondContact N-O 3.03Å; L43-I80 PolarHBondContact O-N 3.25Å; F48-I80 HydrophobicContact CD2-CD1 3.88Å; F48-I80 HydrophobicContact CE2-CD1 4Å; F69-I80 HydrophobicContact CD2-CD1 3.34Å; F69-I80 HydrophobicContact CD2-CG1 4.02Å; F69-I80 HydrophobicContact CE1-CG1 4.31Å; F69-I80 HydrophobicContact CE2-CD1 3.45Å; F69-I80 VanDerWaalsContact CE2-CD1 3.45Å; F69-I80 HydrophobicContact CE2-CG1 3.66Å; F69-I80 HydrophobicContact CG-CD1 3.92Å; F69-I80 HydrophobicContact CG-CG1 4.49Å; F69-I80 HydrophobicContact CZ-CD1 4.1Å; F69-I80 HydrophobicContact CZ-CG1 3.83Å; F72-I80 HydrophobicContact CB-CD1 3.42Å; F72-I80 VanDerWaalsContact CB-CD1 3.42Å; F72-I80 HydrophobicContact CB-CG1 3.82Å; F72-I80 HydrophobicContact CB-CG2 4.41Å; F72-I80 HydrophobicContact CD1-CD1 4.18Å; F72-I80 HydrophobicContact CD1-CG2 4.48Å; F72-I80 HydrophobicContact CG-CD1 4.15Å; D73-I80 HydrophobicContact CB-CG1 4.3Å; I80-E84 WeakPolarHBondContact CA-OE2 3.3Å; I80-E84 HydrophobicContact CG2-CB 3.9Å; I80-F85 HydrophobicContact CG2-CB 3.84Å
81D95.9Very high94.1Very high45 Ų4538.1 Ų38.124%0.24123%0.233CC..EExtended strand (participates in β ladder)trans-78.3173.6171.980.723.2000111.8R83 E84 F85D81-R83 VanDerWaalsContact C-N 3.28Å; D81-R83 PolarHBondContact O-N 2.94Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.36Å; D81-R83 VanDerWaalsContact OD1-CB 3.25Å; D81-R83 WeakPolarHBondContact OD1-CB 3.22Å; D81-R83 PolarHBondContact OD1-N 2.63Å; D81-E84 PolarHBondContact N-OE2 3.05Å; D81-E84 PolarHBondContact O-N 3.09Å; D81-E84 PolarHBondContact OD1-N 3.3Å; D81-F85 WeakPolarHBondContact O-CB 3.34Å; D81-F85 PolarHBondContact O-N 2.9Å
82F95.8Very high93.9Very high13 Ų1339 Ų396%0.05724%0.239CC..Hα-helixtrans-62.9-34.6-179.7179.8-109.8000113.3L8 L16 I27 W30 Y31 F34 F85 I86L8-F82 HydrophobicContact CD1-CD1 4.49Å; L8-F82 HydrophobicContact CD1-CE1 3.92Å; L8-F82 HydrophobicContact CD2-CD1 4.26Å; L8-F82 HydrophobicContact CD2-CE1 4.49Å; L16-F82 HydrophobicContact CD1-CD1 4.05Å; L16-F82 HydrophobicContact CD1-CE1 3.71Å; I27-F82 HydrophobicContact CG2-CE1 4Å; I27-F82 HydrophobicContact CG2-CZ 4.27Å; W30-F82 HydrophobicContact CB-CE2 3.97Å; W30-F82 HydrophobicContact CB-CZ 4Å; Y31-F82 VanDerWaalsContact CA-CE2 3.4Å; Y31-F82 VanDerWaalsContact CA-CZ 3.47Å; Y31-F82 HydrophobicContact CD2-CB 4.18Å; Y31-F82 AromaticContact CD2-CD1 3.45Å; Y31-F82 HydrophobicContact CD2-CD1 3.45Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.45Å; Y31-F82 AromaticContact CD2-CD2 3.91Å; Y31-F82 HydrophobicContact CD2-CD2 3.91Å; Y31-F82 AromaticContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE2 4.17Å; Y31-F82 AromaticContact CD2-CG 3.55Å; Y31-F82 HydrophobicContact CD2-CG 3.55Å; Y31-F82 HydrophobicContact CD2-CZ 4.08Å; Y31-F82 HydrophobicContact CE2-CB 4.29Å; Y31-F82 HydrophobicContact CE2-CD1 4.1Å; Y31-F82 HydrophobicContact CE2-CG 4.13Å; Y31-F82 HydrophobicContact CG-CD1 4.32Å; Y31-F82 HydrophobicContact CG-CE1 4.16Å; Y31-F82 HydrophobicContact CG-CZ 4.33Å; F34-F82 HydrophobicContact CB-CD2 3.67Å; F34-F82 HydrophobicContact CB-CE2 4.01Å; F34-F82 HydrophobicContact CD1-CB 4.06Å; F34-F82 AromaticContact CD1-CD2 3.99Å; F34-F82 HydrophobicContact CD1-CD2 3.99Å; F34-F82 HydrophobicContact CD1-CG 4.48Å; F34-F82 HydrophobicContact CD2-CD2 4.1Å; F34-F82 HydrophobicContact CE1-CB 4.12Å; F34-F82 AromaticContact CG-CD2 3.66Å; F34-F82 HydrophobicContact CG-CD2 3.66Å; F34-F82 HydrophobicContact CG-CE2 4.43Å; F82-F85 HydrophobicContact CD2-CD1 4.32Å; F82-F85 HydrophobicContact CE2-CD1 4.33Å; F82-I86 HydrophobicContact CE1-CB 4.5Å; F82-I86 HydrophobicContact CE1-CG2 4.37Å; F82-I86 HydrophobicContact CE2-CB 4.45Å; F82-I86 HydrophobicContact CZ-CB 4.23Å; F82-I86 HydrophobicContact CZ-CG1 4.37Å; F82-I86 WeakPolarHBondContact O-CB 3.48Å; F82-I86 VanDerWaalsContact O-CG2 3.31Å; F82-I86 WeakPolarHBondContact O-CG2 3.29Å; F82-I86 PolarHBondContact O-N 2.98Å
83R95.9Very high93.5Very high101 Ų10140.9 Ų40.938%0.38125%0.254SS..Hα-helixtrans-67.7-46.2-179.4175.7179.4-165.5-74.6-5.7110D15 L16 D81 I86 I87D15-R83 IonicContact OD1-CZ 2.7Å; D15-R83 IonicContact OD1-NE 3.53Å; D15-R83 IonicContact OD1-NH2 3.62Å; D15-R83 PolarHBondContact OD1-NH2 3.12Å; D15-R83 IonicContact OD2-CZ 2.76Å; D15-R83 IonicContact OD2-NE 2.66Å; D15-R83 PolarHBondContact OD2-NE 3.44Å; D15-R83 IonicContact OD2-NH2 3.38Å; D15-R83 PolarHBondContact OD2-NH2 3.33Å; L16-R83 HydrophobicContact CD2-CB 4.06Å; L16-R83 HydrophobicContact CD2-CG 3.75Å; D81-R83 VanDerWaalsContact C-N 3.28Å; D81-R83 PolarHBondContact O-N 2.94Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.36Å; D81-R83 VanDerWaalsContact OD1-CB 3.25Å; D81-R83 WeakPolarHBondContact OD1-CB 3.22Å; D81-R83 PolarHBondContact OD1-N 2.63Å; R83-I86 WeakPolarHBondContact O-CG2 3.47Å; R83-I86 PolarHBondContact O-N 3.35Å; R83-I87 HydrophobicContact CG-CD1 3.74Å; R83-I87 WeakPolarHBondContact O-CB 3.37Å; R83-I87 VanDerWaalsContact O-CG1 3.22Å; R83-I87 WeakPolarHBondContact O-CG1 3.25Å; R83-I87 PolarHBondContact O-N 3.06Å
84E96.5Very high93.2Very high14 Ų1444.8 Ų44.87%0.06527%0.267CS..Hα-helixtrans-59.7-48.6174.6-74.5175.8141.900111.7F72 A74 N75 I80 D81 I86 I87 A88F72-E84 WeakPolarHBondContact O-CB 3.32Å; A74-E84 HydrophobicContact CB-CG 4.4Å; A74-E84 PolarHBondContact N-OE1 2.81Å; N75-E84 PolarHBondContact N-OE1 3.13Å; N75-E84 VanDerWaalsContact N-OE1 3.09Å; I80-E84 WeakPolarHBondContact CA-OE2 3.3Å; I80-E84 HydrophobicContact CG2-CB 3.9Å; D81-E84 PolarHBondContact N-OE2 3.05Å; D81-E84 PolarHBondContact O-N 3.09Å; D81-E84 PolarHBondContact OD1-N 3.3Å; E84-I86 PolarHBondContact O-N 3Å; E84-I87 PolarHBondContact O-N 3.36Å; E84-A88 VanDerWaalsContact O-CB 3.3Å; E84-A88 WeakPolarHBondContact O-CB 3.24Å; E84-A88 PolarHBondContact O-N 2.83Å
85F94.8Very high92.9Very high36 Ų3640.9 Ų40.916%0.15824%0.236CC..Hα-helixtrans-56-51.3176.9172.1-101.9000112.3W30 F34 F72 I80 D81 F82 L89W30-F85 HydrophobicContact CD2-CE1 4.4Å; W30-F85 AromaticContact CE3-CE1 3.74Å; W30-F85 HydrophobicContact CE3-CE1 3.74Å; W30-F85 HydrophobicContact CE3-CZ 4.02Å; W30-F85 HydrophobicContact CZ3-CE1 4.12Å; W30-F85 AromaticContact CZ3-CZ 3.9Å; W30-F85 HydrophobicContact CZ3-CZ 3.9Å; F34-F85 HydrophobicContact CD2-CB 4.33Å; F34-F85 AromaticContact CD2-CD1 3.83Å; F34-F85 HydrophobicContact CD2-CD1 3.83Å; F34-F85 HydrophobicContact CD2-CE1 4.29Å; F34-F85 AromaticContact CD2-CG 3.97Å; F34-F85 HydrophobicContact CD2-CG 3.97Å; F34-F85 HydrophobicContact CE2-CB 3.86Å; F34-F85 HydrophobicContact CE2-CD1 4.21Å; F34-F85 HydrophobicContact CE2-CD2 4.35Å; F34-F85 AromaticContact CE2-CG 3.88Å; F34-F85 HydrophobicContact CE2-CG 3.88Å; F72-F85 HydrophobicContact CE1-CD2 4.42Å; I80-F85 HydrophobicContact CG2-CB 3.84Å; D81-F85 WeakPolarHBondContact O-CB 3.34Å; D81-F85 PolarHBondContact O-N 2.9Å; F82-F85 HydrophobicContact CD2-CD1 4.32Å; F82-F85 HydrophobicContact CE2-CD1 4.33Å; F85-L89 HydrophobicContact CE1-CD2 4.1Å; F85-L89 HydrophobicContact CZ-CD2 4.04Å; F85-L89 WeakPolarHBondContact O-CB 3.35Å; F85-L89 PolarHBondContact O-N 3.22Å
86I94.8Very high92.6Very high0 Ų044.3 Ų44.30%025%0.246CC..Hα-helixtrans-73.2-33.1-173.7-162.463.8000112.3L16 T20 F22 W30 F82 R83 E84 L89 S90L16-I86 HydrophobicContact CD1-CG2 4.33Å; L16-I86 HydrophobicContact CD2-CG2 3.65Å; L16-I86 HydrophobicContact CG-CG2 4.49Å; T20-I86 HydrophobicContact CG2-CG1 4.49Å; T20-I86 HydrophobicContact CG2-CG2 4.24Å; F22-I86 HydrophobicContact CD2-CD1 3.66Å; F22-I86 HydrophobicContact CD2-CG1 3.8Å; F22-I86 HydrophobicContact CE2-CD1 3.55Å; F22-I86 HydrophobicContact CE2-CG1 4.03Å; F22-I86 HydrophobicContact CG-CD1 4.39Å; F22-I86 HydrophobicContact CZ-CD1 4.22Å; W30-I86 HydrophobicContact CB-CD1 3.89Å; W30-I86 HydrophobicContact CD2-CD1 4.45Å; W30-I86 HydrophobicContact CG-CD1 3.76Å; F82-I86 HydrophobicContact CE1-CB 4.5Å; F82-I86 HydrophobicContact CE1-CG2 4.37Å; F82-I86 HydrophobicContact CE2-CB 4.45Å; F82-I86 HydrophobicContact CZ-CB 4.23Å; F82-I86 HydrophobicContact CZ-CG1 4.37Å; F82-I86 WeakPolarHBondContact O-CB 3.48Å; F82-I86 VanDerWaalsContact O-CG2 3.31Å; F82-I86 WeakPolarHBondContact O-CG2 3.29Å; F82-I86 PolarHBondContact O-N 2.98Å; R83-I86 WeakPolarHBondContact O-CG2 3.47Å; R83-I86 PolarHBondContact O-N 3.35Å; E84-I86 PolarHBondContact O-N 3Å; I86-L89 HydrophobicContact CD1-CD2 4.25Å; I86-S90 VanDerWaalsContact O-CB 3.31Å; I86-S90 WeakPolarHBondContact O-CB 3.49Å; I86-S90 PolarHBondContact O-N 3.35Å
87I94.6Very high92.3Very high42 Ų4246 Ų4622%0.21524%0.24CC..Hα-helixtrans-66.5-50.4174.3-70.9171.8000110.2T20 R83 E84 L89 S90 V91T20-I87 HydrophobicContact CG2-CG1 3.91Å; R83-I87 HydrophobicContact CG-CD1 3.74Å; R83-I87 WeakPolarHBondContact O-CB 3.37Å; R83-I87 VanDerWaalsContact O-CG1 3.22Å; R83-I87 WeakPolarHBondContact O-CG1 3.25Å; R83-I87 PolarHBondContact O-N 3.06Å; E84-I87 PolarHBondContact O-N 3.36Å; I87-L89 VanDerWaalsContact C-N 3.3Å; I87-L89 PolarHBondContact O-N 3.42Å; I87-S90 WeakPolarHBondContact O-CB 3.17Å; I87-S90 PolarHBondContact O-N 2.83Å; I87-S90 VanDerWaalsContact O-N 3.12Å; I87-V91 WeakPolarHBondContact O-CG2 3.27Å; I87-V91 PolarHBondContact O-N 2.99Å
88A91.7Very high91.9Very high7 Ų745.7 Ų45.76%0.05824%0.236CC..Hα-helixtrans-62.3-39.9178.500000111.5F72 E84 S90 V91 T92F72-A88 HydrophobicContact CB-CB 4.4Å; F72-A88 HydrophobicContact CD1-CB 3.47Å; F72-A88 VanDerWaalsContact CD1-CB 3.47Å; F72-A88 HydrophobicContact CD2-CB 3.63Å; F72-A88 HydrophobicContact CE1-CB 3.47Å; F72-A88 VanDerWaalsContact CE1-CB 3.47Å; F72-A88 HydrophobicContact CE2-CB 3.63Å; F72-A88 HydrophobicContact CG-CB 3.55Å; F72-A88 HydrophobicContact CZ-CB 3.54Å; E84-A88 VanDerWaalsContact O-CB 3.3Å; E84-A88 WeakPolarHBondContact O-CB 3.24Å; E84-A88 PolarHBondContact O-N 2.83Å; A88-S90 PolarHBondContact O-N 3.48Å; A88-V91 PolarHBondContact O-N 3.41Å; A88-T92 WeakPolarHBondContact O-CB 3.5Å; A88-T92 WeakPolarHBondContact O-CG2 3.47Å; A88-T92 PolarHBondContact O-N 3.25Å; A88-T92 PolarHBondContact O-OG1 2.66Å
89L91.9Very high91.6Very high34 Ų3447.8 Ų47.818%0.17824%0.235CC..Hα-helixtrans-62.8-41.3173.3-175.963.1000111.9F22 W30 F85 I86 I87 T92 S93F22-L89 HydrophobicContact CE2-CD2 4.45Å; F22-L89 HydrophobicContact CE2-CG 4.36Å; F22-L89 HydrophobicContact CZ-CD2 4.06Å; F22-L89 HydrophobicContact CZ-CG 4.05Å; W30-L89 HydrophobicContact CD2-CD2 4.02Å; W30-L89 HydrophobicContact CE3-CD2 4.26Å; W30-L89 HydrophobicContact CH2-CD2 3.81Å; W30-L89 HydrophobicContact CZ2-CD2 3.54Å; W30-L89 HydrophobicContact CZ3-CD2 4.16Å; F85-L89 HydrophobicContact CE1-CD2 4.1Å; F85-L89 HydrophobicContact CZ-CD2 4.04Å; F85-L89 WeakPolarHBondContact O-CB 3.35Å; F85-L89 PolarHBondContact O-N 3.22Å; I86-L89 HydrophobicContact CD1-CD2 4.25Å; I87-L89 VanDerWaalsContact C-N 3.3Å; I87-L89 PolarHBondContact O-N 3.42Å; L89-T92 WeakPolarHBondContact CA-OG1 3.41Å; L89-T92 PolarHBondContact O-N 2.88Å; L89-T92 PolarHBondContact O-OG1 3.42Å; L89-S93 VanDerWaalsContact O-CB 3.24Å; L89-S93 WeakPolarHBondContact O-CB 3.35Å; L89-S93 PolarHBondContact O-N 2.85Å; L89-S93 PolarHBondContact O-OG 3.17Å
90S92.6Very high91.2Very high4 Ų449.4 Ų49.43%0.02824%0.239CC..Hα-helixtrans-60.5-48.2177.1-174.60000111T20 D21 I86 I87 A88 R94 G95T20-S90 WeakPolarHBondContact CA-OG 3.42Å; D21-S90 PolarHBondContact N-OG 3.33Å; I86-S90 VanDerWaalsContact O-CB 3.31Å; I86-S90 WeakPolarHBondContact O-CB 3.49Å; I86-S90 PolarHBondContact O-N 3.35Å; I87-S90 WeakPolarHBondContact O-CB 3.17Å; I87-S90 PolarHBondContact O-N 2.83Å; I87-S90 VanDerWaalsContact O-N 3.12Å; A88-S90 PolarHBondContact O-N 3.48Å; S90-R94 CarbonylContact O-C 3.57Å; S90-R94 WeakPolarHBondContact O-CA 3.4Å; S90-R94 WeakPolarHBondContact O-CB 3.13Å; S90-R94 PolarHBondContact O-N 2.92Å; S90-G95 PolarHBondContact O-N 3.38Å
91V89.1Confident90.9Very high34 Ų3450 Ų5021%0.20624%0.242CC..Hα-helixtrans-62.3-47.9179.3173.80000111.3I87 A88 G95 Q99 K100 W103I87-V91 WeakPolarHBondContact O-CG2 3.27Å; I87-V91 PolarHBondContact O-N 2.99Å; A88-V91 PolarHBondContact O-N 3.41Å; V91-G95 WeakPolarHBondContact O-CA 3.39Å; V91-G95 PolarHBondContact O-N 3.17Å; V91-Q99 HydrophobicContact CG1-CB 4.33Å; V91-K100 WeakPolarHBondContact O-CE 3.47Å; V91-K100 VanDerWaalsContact O-CG 3.32Å; V91-K100 WeakPolarHBondContact O-CG 3.46Å; V91-W103 HydrophobicContact CG1-CB 3.83Å; V91-W103 HydrophobicContact CG1-CG 4.24Å
92T85.9Confident90.8Very high44 Ų4452.4 Ų52.427%0.2725%0.25SS..Hα-helixtrans-73.8-32.6-175.253.60000113.2A88 L89 K100 W103A88-T92 WeakPolarHBondContact O-CB 3.5Å; A88-T92 WeakPolarHBondContact O-CG2 3.47Å; A88-T92 PolarHBondContact O-N 3.25Å; A88-T92 PolarHBondContact O-OG1 2.66Å; L89-T92 WeakPolarHBondContact CA-OG1 3.41Å; L89-T92 PolarHBondContact O-N 2.88Å; L89-T92 PolarHBondContact O-OG1 3.42Å; T92-K100 WeakPolarHBondContact O-CE 3.48Å; T92-K100 PolarHBondContact O-NZ 3.09Å; T92-W103 HydrophobicContact CG2-CD2 3.77Å; T92-W103 HydrophobicContact CG2-CE3 3.7Å; T92-W103 HydrophobicContact CG2-CH2 3.78Å; T92-W103 HydrophobicContact CG2-CZ2 3.91Å; T92-W103 HydrophobicContact CG2-CZ3 3.69Å
93S86.4Confident90.5Very high57 Ų5754.2 Ų54.240%0.39926%0.257SS..Hα-helixtrans-91.2-52.7179.767.30000113.1L89 K100L89-S93 VanDerWaalsContact O-CB 3.24Å; L89-S93 WeakPolarHBondContact O-CB 3.35Å; L89-S93 PolarHBondContact O-N 2.85Å; L89-S93 PolarHBondContact O-OG 3.17Å; S93-K100 PolarHBondContact O-NZ 2.73Å
94R88.5Confident90.3Very high100 Ų10050.3 Ų50.338%0.37725%0.246SC..THydrogen-bonded Turntrans-104.8-17.1-170.3-63.9-177.4-179.4-162.6-2.2114.7D21 F22 E26 S90D21-R94 HydrophobicContact CB-CB 3.94Å; D21-R94 VanDerWaalsContact O-CD 3.31Å; D21-R94 WeakPolarHBondContact O-CD 3.37Å; D21-R94 PolarHBondContact O-NH1 2.65Å; F22-R94 VanDerWaalsContact CD1-NH1 3.33Å; F22-R94 VanDerWaalsContact CE1-NE 3.29Å; E26-R94 VanDerWaalsContact CD-NH2 3.32Å; E26-R94 IonicContact OE1-CZ 2.88Å; E26-R94 IonicContact OE1-NH1 3.63Å; E26-R94 PolarHBondContact OE1-NH1 2.97Å; E26-R94 IonicContact OE1-NH2 3.66Å; E26-R94 PolarHBondContact OE1-NH2 3.29Å; E26-R94 IonicContact OE2-CZ 3.37Å; E26-R94 IonicContact OE2-NH1 3.72Å; E26-R94 PolarHBondContact OE2-NH1 3.36Å; E26-R94 IonicContact OE2-NH2 2.71Å; S90-R94 CarbonylContact O-C 3.57Å; S90-R94 WeakPolarHBondContact O-CA 3.4Å; S90-R94 WeakPolarHBondContact O-CB 3.13Å; S90-R94 PolarHBondContact O-N 2.92Å
95G84.9Confident90.2Very high7 Ų750.2 Ų50.27%0.07225%0.245CC..SBendtrans-57.7152.5-17700000113.9S90 V91 K100S90-G95 PolarHBondContact O-N 3.38Å; V91-G95 WeakPolarHBondContact O-CA 3.39Å; V91-G95 PolarHBondContact O-N 3.17Å; G95-K100 WeakPolarHBondContact O-CE 3.49Å
96K88.7Confident90.1Very high164 Ų16451 Ų5171%0.71326%0.255SS*.  trans-62.7156.2169.9-63.1176.9-176.4172.90109.8E98 Q99 K100K96-E98 PolarHBondContact O-N 2.81Å; K96-E98 VanDerWaalsContact O-N 3.09Å; K96-Q99 WeakPolarHBondContact O-CB 3.39Å; K96-Q99 PolarHBondContact O-N 3.29Å; K96-K100 PolarHBondContact O-N 2.91Å
97L86.2Confident90Very high97 Ų9751.5 Ų51.551%0.50826%0.258SS..Hα-helixtrans-49.3-42.9179.1176.466.9000112.3Q99 K100 L101 K174L97-Q99 PolarHBondContact O-N 3.06Å; L97-K100 PolarHBondContact O-N 2.78Å; L97-L101 HydrophobicContact CD1-CD1 4.17Å; L97-L101 HydrophobicContact CD1-CG 4.19Å; L97-L101 HydrophobicContact CG-CD1 3.96Å; L97-L101 HydrophobicContact CG-CG 4.36Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.22Å; L97-L101 PolarHBondContact O-N 2.99Å; L97-K174 HydrophobicContact CD2-CG 4.19Å
98E87.9Confident89.9Confident82 Ų8249.8 Ų49.838%0.38325%0.249SC..Hα-helixtrans-65.6-37.6179.4-170.2176141.900113.5K96 K100 L101 K102 I170 K174K96-E98 PolarHBondContact O-N 2.81Å; K96-E98 VanDerWaalsContact O-N 3.09Å; E98-K100 VanDerWaalsContact C-N 3.34Å; E98-L101 PolarHBondContact O-N 3.43Å; E98-K102 HydrophobicContact CG-CD 4.41Å; E98-K102 WeakPolarHBondContact O-CB 3.18Å; E98-K102 WeakPolarHBondContact O-CG 3.22Å; E98-K102 PolarHBondContact O-N 2.9Å; E98-K102 WeakPolarHBondContact OE1-CE 3.21Å; E98-K102 IonicContact OE1-NZ 3.48Å; E98-K102 PolarHBondContact OE1-NZ 3.02Å; E98-I170 HydrophobicContact CG-CD1 4.25Å; E98-K174 IonicContact OE2-NZ 2.85Å
99Q88.4Confident90.1Very high83 Ų8350.1 Ų50.139%0.38825%0.25SC..Hα-helixtrans-65.6-41.8175.4-68.7167.3-61.700110.4V91 K96 L97 L101 K102 W103V91-Q99 HydrophobicContact CG1-CB 4.33Å; K96-Q99 WeakPolarHBondContact O-CB 3.39Å; K96-Q99 PolarHBondContact O-N 3.29Å; L97-Q99 PolarHBondContact O-N 3.06Å; Q99-L101 PolarHBondContact O-N 2.89Å; Q99-K102 PolarHBondContact O-N 3.09Å; Q99-W103 PolarHBondContact O-N 3.08Å
100K88.4Confident90.3Very high74 Ų7450.1 Ų50.132%0.32225%0.25SC..Hα-helixtrans-61.9-41.9175.5-67.9179.8175.3-175.50112.1V91 T92 S93 G95 K96 L97 E98 W103 A104V91-K100 WeakPolarHBondContact O-CE 3.47Å; V91-K100 VanDerWaalsContact O-CG 3.32Å; V91-K100 WeakPolarHBondContact O-CG 3.46Å; T92-K100 WeakPolarHBondContact O-CE 3.48Å; T92-K100 PolarHBondContact O-NZ 3.09Å; S93-K100 PolarHBondContact O-NZ 2.73Å; G95-K100 WeakPolarHBondContact O-CE 3.49Å; K96-K100 PolarHBondContact O-N 2.91Å; L97-K100 PolarHBondContact O-N 2.78Å; E98-K100 VanDerWaalsContact C-N 3.34Å; K100-W103 PolarHBondContact O-N 3.4Å; K100-A104 WeakPolarHBondContact O-CB 3.43Å; K100-A104 PolarHBondContact O-N 3.26Å
101L90.9Very high90.4Very high13 Ų1355 Ų557%0.06828%0.275CS..Hα-helixtrans-69.1-36.9177.1-68.7174.1000112.4L97 E98 Q99 A104 F105 F169 I170 A173 K174L97-L101 HydrophobicContact CD1-CD1 4.17Å; L97-L101 HydrophobicContact CD1-CG 4.19Å; L97-L101 HydrophobicContact CG-CD1 3.96Å; L97-L101 HydrophobicContact CG-CG 4.36Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.22Å; L97-L101 PolarHBondContact O-N 2.99Å; E98-L101 PolarHBondContact O-N 3.43Å; Q99-L101 PolarHBondContact O-N 2.89Å; L101-A104 PolarHBondContact O-N 2.87Å; L101-F105 WeakPolarHBondContact O-CB 3.37Å; L101-F105 PolarHBondContact O-N 3.42Å; L101-F169 HydrophobicContact CD2-CE1 4.34Å; L101-F169 WeakPolarHBondContact O-CE1 3.4Å; L101-I170 HydrophobicContact CB-CG1 4.07Å; L101-I170 HydrophobicContact CD1-CG2 4.23Å; L101-A173 HydrophobicContact CD1-CB 4.02Å; L101-A173 HydrophobicContact CD2-CB 3.53Å; L101-A173 HydrophobicContact CG-CB 4.42Å; L101-K174 HydrophobicContact CD1-CG 4.12Å
102K92.5Very high90.6Very high94 Ų9456.2 Ų56.241%0.40930%0.295SS..Hα-helixtrans-63.6-43.6172.9-76.7173.4-179.1168.40111.8E98 Q99 F105 S106 L166 I170E98-K102 HydrophobicContact CG-CD 4.41Å; E98-K102 WeakPolarHBondContact O-CB 3.18Å; E98-K102 WeakPolarHBondContact O-CG 3.22Å; E98-K102 PolarHBondContact O-N 2.9Å; E98-K102 WeakPolarHBondContact OE1-CE 3.21Å; E98-K102 IonicContact OE1-NZ 3.48Å; E98-K102 PolarHBondContact OE1-NZ 3.02Å; Q99-K102 PolarHBondContact O-N 3.09Å; K102-F105 WeakPolarHBondContact O-CB 3.39Å; K102-F105 PolarHBondContact O-N 3.17Å; K102-S106 PolarHBondContact O-N 3.4Å; K102-S106 VanDerWaalsContact O-N 3.09Å; K102-L166 HydrophobicContact CG-CD1 4.09Å; K102-L166 HydrophobicContact CG-CD2 4.25Å; K102-I170 HydrophobicContact CG-CD1 4.09Å
103W91.1Very high91.1Very high51 Ų5158 Ų5819%0.19330%0.303CS..Hα-helixtrans-65.1-42.8175178.280.7000112V68 T71 F72 V91 T92 Q99 K100 F105 S106 M107V68-W103 HydrophobicContact CG1-CH2 4.46Å; V68-W103 HydrophobicContact CG1-CZ2 4.32Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.36Å; T71-W103 PolarHBondContact OG1-NE1 3.43Å; F72-W103 HydrophobicContact CD2-CZ2 4.06Å; F72-W103 HydrophobicContact CE2-CH2 4.4Å; F72-W103 AromaticContact CE2-CZ2 3.59Å; F72-W103 HydrophobicContact CE2-CZ2 3.59Å; V91-W103 HydrophobicContact CG1-CB 3.83Å; V91-W103 HydrophobicContact CG1-CG 4.24Å; T92-W103 HydrophobicContact CG2-CD2 3.77Å; T92-W103 HydrophobicContact CG2-CE3 3.7Å; T92-W103 HydrophobicContact CG2-CH2 3.78Å; T92-W103 HydrophobicContact CG2-CZ2 3.91Å; T92-W103 HydrophobicContact CG2-CZ3 3.69Å; Q99-W103 PolarHBondContact O-N 3.08Å; K100-W103 PolarHBondContact O-N 3.4Å; W103-F105 VanDerWaalsContact C-N 3.3Å; W103-F105 PolarHBondContact O-N 2.79Å; W103-S106 WeakPolarHBondContact CA-OG 3.38Å; W103-S106 PolarHBondContact O-N 3.12Å; W103-S106 PolarHBondContact O-OG 3.34Å; W103-M107 HydrophobicContact CE3-CE 4.35Å; W103-M107 HydrophobicContact CH2-CE 3.06Å; W103-M107 HydrophobicContact CZ2-CE 3.61Å; W103-M107 HydrophobicContact CZ3-CE 3.48Å; W103-M107 VanDerWaalsContact CZ3-CE 3.48Å; W103-M107 PolarHBondContact O-N 3.48Å; W103-M107 VanDerWaalsContact O-N 3.17Å
104A91.3Very high91.6Very high19 Ų1957 Ų5716%0.15730%0.301CS..Hα-helixtrans-59.4-42.9173.100000111.1K100 L101 S106 M107 Y108 F169K100-A104 WeakPolarHBondContact O-CB 3.43Å; K100-A104 PolarHBondContact O-N 3.26Å; L101-A104 PolarHBondContact O-N 2.87Å; A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 2.67Å; A104-M107 WeakPolarHBondContact O-CA 3.38Å; A104-M107 VanDerWaalsContact O-CB 3.24Å; A104-M107 WeakPolarHBondContact O-CB 3.47Å; A104-M107 PolarHBondContact O-N 3.45Å; A104-Y108 VanDerWaalsContact O-CD2 3.29Å; A104-Y108 WeakPolarHBondContact O-CD2 3.33Å; A104-Y108 PolarHBondContact O-N 3.33Å; A104-F169 HydrophobicContact CB-CE1 4.17Å; A104-F169 HydrophobicContact CB-CZ 4.25Å
105F93.5Very high92.1Very high12 Ų1256.5 Ų56.55%0.05330%0.3CS..Hα-helixtrans-55.6-47.6175.1-175.1-85.4000111.8L101 K102 W103 M107 Y108 D109 G114 I116 L166 F169L101-F105 WeakPolarHBondContact O-CB 3.37Å; L101-F105 PolarHBondContact O-N 3.42Å; K102-F105 WeakPolarHBondContact O-CB 3.39Å; K102-F105 PolarHBondContact O-N 3.17Å; W103-F105 VanDerWaalsContact C-N 3.3Å; W103-F105 PolarHBondContact O-N 2.79Å; F105-M107 PolarHBondContact O-N 2.95Å; F105-M107 VanDerWaalsContact O-N 3.17Å; F105-Y108 PolarHBondContact O-N 3.2Å; F105-D109 HydrophobicContact CD1-CB 4.17Å; F105-D109 HydrophobicContact CE1-CB 3.86Å; F105-D109 WeakPolarHBondContact O-CB 3.35Å; F105-D109 PolarHBondContact O-N 3.2Å; F105-G114 WeakPolarHBondContact CZ-O 3.06Å; F105-I116 HydrophobicContact CD2-CD1 3.38Å; F105-I116 HydrophobicContact CD2-CG1 3.98Å; F105-I116 HydrophobicContact CE2-CD1 3.45Å; F105-I116 VanDerWaalsContact CE2-CD1 3.45Å; F105-I116 HydrophobicContact CE2-CG1 3.62Å; F105-I116 HydrophobicContact CG-CD1 4.14Å; F105-I116 HydrophobicContact CZ-CD1 4.22Å; F105-I116 HydrophobicContact CZ-CG1 3.91Å; F105-L166 HydrophobicContact CB-CD1 3.63Å; F105-L166 HydrophobicContact CD1-CD1 4.01Å; F105-L166 HydrophobicContact CD2-CB 4.31Å; F105-L166 HydrophobicContact CD2-CD1 3.82Å; F105-L166 HydrophobicContact CE1-CB 4.44Å; F105-L166 VanDerWaalsContact CE2-CA 3.5Å; F105-L166 HydrophobicContact CE2-CB 4.16Å; F105-L166 HydrophobicContact CE2-CD1 4.5Å; F105-L166 HydrophobicContact CG-CD1 3.53Å; F105-L166 HydrophobicContact CZ-CB 4.23Å; F105-F169 HydrophobicContact CB-CD1 4.06Å; F105-F169 HydrophobicContact CB-CE1 4.25Å; F105-F169 HydrophobicContact CD2-CB 3.58Å; F105-F169 HydrophobicContact CD2-CD1 4.04Å; F105-F169 HydrophobicContact CD2-CD2 4.21Å; F105-F169 AromaticContact CD2-CG 3.7Å; F105-F169 HydrophobicContact CD2-CG 3.7Å; F105-F169 HydrophobicContact CE2-CB 4.02Å; F105-F169 HydrophobicContact CE2-CG 4.5Å
106S92.3Very high92.7Very high52 Ų5256.2 Ų56.236%0.36430%0.296SS..Hα-helixtrans-63.9-18.4176.156.40000114.6K102 W103 A104K102-S106 PolarHBondContact O-N 3.4Å; K102-S106 VanDerWaalsContact O-N 3.09Å; W103-S106 WeakPolarHBondContact CA-OG 3.38Å; W103-S106 PolarHBondContact O-N 3.12Å; W103-S106 PolarHBondContact O-OG 3.34Å; A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 2.67Å
107M92.5Very high93.1Very high11 Ų1150.2 Ų50.25%0.05428%0.275CS..Hα-helixtrans-75.5-39.7170.8-169.8-174-64.500111.6F64 H67 V68 R70 T71 W103 A104 F105 L110F64-M107 HydrophobicContact CE2-SD 4.05Å; F64-M107 HydrophobicContact CZ-SD 4.29Å; H67-M107 HydrophobicContact CB-CG 4.26Å; V68-M107 HydrophobicContact CB-CE 4.46Å; V68-M107 HydrophobicContact CG2-CE 3.74Å; V68-M107 HydrophobicContact CG2-SD 4.3Å; R70-M107 PolarHBondContact NH2-O 3.2Å; T71-M107 VanDerWaalsContact CG2-CA 3.42Å; T71-M107 HydrophobicContact CG2-CB 3.75Å; T71-M107 HydrophobicContact CG2-CG 4.13Å; W103-M107 HydrophobicContact CE3-CE 4.35Å; W103-M107 HydrophobicContact CH2-CE 3.06Å; W103-M107 HydrophobicContact CZ2-CE 3.61Å; W103-M107 HydrophobicContact CZ3-CE 3.48Å; W103-M107 VanDerWaalsContact CZ3-CE 3.48Å; W103-M107 PolarHBondContact O-N 3.48Å; W103-M107 VanDerWaalsContact O-N 3.17Å; A104-M107 WeakPolarHBondContact O-CA 3.38Å; A104-M107 VanDerWaalsContact O-CB 3.24Å; A104-M107 WeakPolarHBondContact O-CB 3.47Å; A104-M107 PolarHBondContact O-N 3.45Å; F105-M107 PolarHBondContact O-N 2.95Å; F105-M107 VanDerWaalsContact O-N 3.17Å; M107-L110 WeakPolarHBondContact O-CD2 3.37Å
108Y94.1Very high93.6Very high7 Ų749.5 Ų49.53%0.02727%0.268CS..Hα-helixtrans-79.6-35.5-179.9-78.2-85000113.1A104 F105 L110 I116 E120 M121 I124 F169 L183A104-Y108 VanDerWaalsContact O-CD2 3.29Å; A104-Y108 WeakPolarHBondContact O-CD2 3.33Å; A104-Y108 PolarHBondContact O-N 3.33Å; F105-Y108 PolarHBondContact O-N 3.2Å; Y108-L110 PolarHBondContact O-N 2.93Å; Y108-L110 VanDerWaalsContact O-N 3.11Å; Y108-I116 VanDerWaalsContact CB-CD1 3.46Å; Y108-I116 HydrophobicContact CG-CD1 4.31Å; Y108-E120 WeakPolarHBondContact O-CB 2.98Å; Y108-M121 HydrophobicContact CD1-CE 3.88Å; Y108-M121 HydrophobicContact CD1-SD 3.57Å; Y108-M121 VanDerWaalsContact CD1-SD 3.57Å; Y108-M121 HydrophobicContact CE1-CE 4.09Å; Y108-M121 HydrophobicContact CE1-SD 3.31Å; Y108-M121 WeakPolarHBondContact CE1-SD 3.48Å; Y108-M121 HydrophobicContact CG-CE 4.43Å; Y108-I124 HydrophobicContact CD1-CB 3.66Å; Y108-I124 HydrophobicContact CD1-CG1 3.73Å; Y108-I124 HydrophobicContact CD1-CG2 3.86Å; Y108-I124 HydrophobicContact CE1-CB 3.51Å; Y108-I124 HydrophobicContact CE1-CG1 4.11Å; Y108-I124 HydrophobicContact CE1-CG2 3.35Å; Y108-I124 HydrophobicContact CE2-CG2 4.31Å; Y108-I124 HydrophobicContact CG-CG1 4.29Å; Y108-F169 HydrophobicContact CD2-CE2 4.23Å; Y108-F169 HydrophobicContact CD2-CZ 4.17Å; Y108-F169 HydrophobicContact CE2-CZ 4.41Å; Y108-L183 HydrophobicContact CE2-CD2 3.71Å
109D95.9Very high94Very high14 Ų1449 Ų498%0.07528%0.278CS..  trans-73.396.2174.4-179.50.9000108.6F105 G112 N113 G114 I116F105-D109 HydrophobicContact CD1-CB 4.17Å; F105-D109 HydrophobicContact CE1-CB 3.86Å; F105-D109 WeakPolarHBondContact O-CB 3.35Å; F105-D109 PolarHBondContact O-N 3.2Å; D109-G112 VanDerWaalsContact OD1-CA 3.23Å; D109-G112 WeakPolarHBondContact OD1-CA 3.35Å; D109-G112 PolarHBondContact OD1-N 2.85Å; D109-N113 PolarHBondContact OD1-N 2.94Å; D109-N113 VanDerWaalsContact OD1-N 3.13Å; D109-G114 VanDerWaalsContact OD2-CA 3.26Å; D109-G114 WeakPolarHBondContact OD2-CA 3.43Å; D109-G114 PolarHBondContact OD2-N 3.32Å; D109-I116 HydrophobicContact CB-CG1 4.27Å
110L94.6Very high94.4Very high34 Ų3445.7 Ų45.718%0.17826%0.263CS..SBendtrans-80.4-32.8-168.1-56.9-172.6000112.6R70 M107 Y108 E120 E123 I124R70-L110 VanDerWaalsContact NH1-CB 3.3Å; R70-L110 PolarHBondContact NH1-O 3.4Å; M107-L110 WeakPolarHBondContact O-CD2 3.37Å; Y108-L110 PolarHBondContact O-N 2.93Å; Y108-L110 VanDerWaalsContact O-N 3.11Å; L110-E120 WeakPolarHBondContact CA-OE1 3.27Å; L110-E120 HydrophobicContact CB-CG 3.9Å; L110-E120 WeakPolarHBondContact CB-OE1 3.32Å; L110-E120 HydrophobicContact CD1-CB 4.16Å; L110-E120 HydrophobicContact CD1-CG 3.94Å; L110-E120 HydrophobicContact CG-CB 3.86Å; L110-E120 HydrophobicContact CG-CG 3.69Å; L110-E120 PolarHBondContact N-OE1 3.48Å; L110-E123 HydrophobicContact CD1-CB 4.16Å; L110-E123 VanDerWaalsContact CD1-CD 3.48Å; L110-E123 HydrophobicContact CD1-CG 4.17Å; L110-E123 VanDerWaalsContact CD1-OE2 3.31Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.05Å; L110-I124 HydrophobicContact CD2-CD1 3.75Å; L110-I124 HydrophobicContact CD2-CG1 4.12Å
111D94.8Very high94.8Very high106 Ų10642.2 Ų42.257%0.56725%0.247SC*.SBendtrans-95-8179.172.47.5000113.4N113 E120D111-N113 VanDerWaalsContact C-N 3.33Å; D111-N113 WeakPolarHBondContact OD1-CB 3.04Å; D111-N113 PolarHBondContact OD1-N 3.25Å; D111-N113 PolarHBondContact OD1-ND2 2.67Å; D111-N113 PolarHBondContact OD2-ND2 3.02Å; D111-E120 PolarHBondContact N-OE1 3.38Å
112G94.3Very high95Very high59 Ų5943.7 Ų43.761%0.60826%0.255SS*.  trans74.621.4177.100000113.5D109 G114D109-G112 VanDerWaalsContact OD1-CA 3.23Å; D109-G112 WeakPolarHBondContact OD1-CA 3.35Å; D109-G112 PolarHBondContact OD1-N 2.85Å; G112-G114 PolarHBondContact O-N 2.76Å
113N96.3Very high95.1Very high82 Ų8243.1 Ų43.144%0.43925%0.254SS..SBendtrans-78.9-4-176.675.436.9000113.7D109 D111 Y115D109-N113 PolarHBondContact OD1-N 2.94Å; D109-N113 VanDerWaalsContact OD1-N 3.13Å; D111-N113 VanDerWaalsContact C-N 3.33Å; D111-N113 WeakPolarHBondContact OD1-CB 3.04Å; D111-N113 PolarHBondContact OD1-N 3.25Å; D111-N113 PolarHBondContact OD1-ND2 2.67Å; D111-N113 PolarHBondContact OD2-ND2 3.02Å; N113-Y115 WeakPolarHBondContact OD1-CA 3.15Å; N113-Y115 VanDerWaalsContact OD1-CB 3.3Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.38Å; N113-Y115 PolarHBondContact OD1-N 3.33Å; N113-Y115 PolarHBondContact OD1-O 3.38Å
114G96.7Very high95.1Very high35 Ų3540.7 Ų40.736%0.36125%0.245SC..SBendtrans88.97.9-178.900000114.5F105 D109 G112F105-G114 WeakPolarHBondContact CZ-O 3.06Å; D109-G114 VanDerWaalsContact OD2-CA 3.26Å; D109-G114 WeakPolarHBondContact OD2-CA 3.43Å; D109-G114 PolarHBondContact OD2-N 3.32Å; G112-G114 PolarHBondContact O-N 2.76Å
115Y98Very high95.1Very high91 Ų9139.9 Ų39.936%0.35724%0.238SC..EExtended strand (participates in β ladder)trans-137.9142.4177.1-61.8-88.6000111.1N113 K163 L164N113-Y115 WeakPolarHBondContact OD1-CA 3.15Å; N113-Y115 VanDerWaalsContact OD1-CB 3.3Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.38Å; N113-Y115 PolarHBondContact OD1-N 3.33Å; N113-Y115 PolarHBondContact OD1-O 3.38Å; Y115-K163 HydrophobicContact CD1-CD 3.62Å; Y115-K163 HydrophobicContact CD1-CG 3.97Å; Y115-K163 HydrophobicContact CD2-CD 4.32Å; Y115-K163 HydrophobicContact CE1-CD 4.24Å; Y115-K163 HydrophobicContact CG-CD 3.68Å; Y115-K163 HydrophobicContact CG-CG 4.35Å; Y115-L164 WeakPolarHBondContact CA-O 3.4Å
116I97.4Very high95.1Very high0 Ų042.9 Ų42.90%025%0.252CS..EExtended strand (participates in β ladder)trans-96.5115.9172.4-54.4159.6000109F105 Y108 D109 E120 M121 F153 K163 L164 F169F105-I116 HydrophobicContact CD2-CD1 3.38Å; F105-I116 HydrophobicContact CD2-CG1 3.98Å; F105-I116 HydrophobicContact CE2-CD1 3.45Å; F105-I116 VanDerWaalsContact CE2-CD1 3.45Å; F105-I116 HydrophobicContact CE2-CG1 3.62Å; F105-I116 HydrophobicContact CG-CD1 4.14Å; F105-I116 HydrophobicContact CZ-CD1 4.22Å; F105-I116 HydrophobicContact CZ-CG1 3.91Å; Y108-I116 VanDerWaalsContact CB-CD1 3.46Å; Y108-I116 HydrophobicContact CG-CD1 4.31Å; D109-I116 HydrophobicContact CB-CG1 4.27Å; I116-E120 HydrophobicContact CG2-CB 4.22Å; I116-M121 HydrophobicContact CG2-CB 4.08Å; I116-M121 HydrophobicContact CG2-CE 4.08Å; I116-F153 WeakPolarHBondContact O-CZ 3.41Å; I116-K163 CarbonylContact O-C 3.44Å; I116-K163 VanDerWaalsContact O-CA 3.3Å; I116-K163 WeakPolarHBondContact O-CA 3.35Å; I116-L164 HydrophobicContact CB-CB 4.27Å; I116-L164 PolarHBondContact N-O 2.66Å; I116-L164 PolarHBondContact O-N 2.8Å; I116-F169 HydrophobicContact CD1-CD2 3.62Å; I116-F169 HydrophobicContact CD1-CE2 3.92Å; I116-F169 HydrophobicContact CD1-CG 4.3Å
117S97.6Very high95Very high39 Ų3940.4 Ų40.427%0.27324%0.235SC..EExtended strand (participates in β ladder)trans-78.3162.5171.670.40000112.2A119 E120 M121S117-A119 PolarHBondContact O-N 3.08Å; S117-E120 VanDerWaalsContact CB-OE2 3.25Å; S117-E120 WeakPolarHBondContact CB-OE2 3.44Å; S117-E120 PolarHBondContact N-OE2 3.31Å; S117-E120 PolarHBondContact O-N 3.08Å; S117-E120 WeakPolarHBondContact OG-CG 3.46Å; S117-E120 PolarHBondContact OG-N 3.4Å; S117-E120 PolarHBondContact OG-OE2 3.41Å; S117-M121 PolarHBondContact O-N 2.9Å
118K96.4Very high94.8Very high81 Ų8140.3 Ų40.335%0.35223%0.234SC..Hα-helixtrans-58-35.7174.3-74.1-167.5176.1-164.40112.9L122 E150 F153K118-L122 VanDerWaalsContact O-CB 3.3Å; K118-L122 WeakPolarHBondContact O-CB 3.29Å; K118-L122 PolarHBondContact O-N 3.23Å; K118-E150 IonicContact NZ-OE1 3.49Å; K118-E150 PolarHBondContact NZ-OE1 3.22Å; K118-E150 IonicContact NZ-OE2 2.73Å; K118-E150 PolarHBondContact NZ-OE2 3.3Å; K118-F153 HydrophobicContact CB-CE2 4.33Å; K118-F153 HydrophobicContact CB-CZ 4.24Å; K118-F153 HydrophobicContact CD-CD1 4.33Å; K118-F153 HydrophobicContact CD-CG 4.38Å; K118-F153 HydrophobicContact CG-CD1 3.64Å; K118-F153 HydrophobicContact CG-CD2 3.89Å; K118-F153 HydrophobicContact CG-CE1 3.54Å; K118-F153 HydrophobicContact CG-CE2 3.81Å; K118-F153 HydrophobicContact CG-CG 3.81Å; K118-F153 HydrophobicContact CG-CZ 3.64Å
119A97.5Very high94.4Very high71 Ų7141.1 Ų41.159%0.58724%0.237SC*.Hα-helixtrans-66.9-45.218000000111.2S117 L122 E123S117-A119 PolarHBondContact O-N 3.08Å; A119-L122 PolarHBondContact O-N 3.06Å; A119-E123 PolarHBondContact O-N 3.41Å
120E97.2Very high94Very high15 Ų1545.2 Ų45.27%0.0725%0.254CS..Hα-helixtrans-64.6-44.6177.9-70.5171.2122.200112.3Y108 L110 D111 I116 S117 L122 E123 I124Y108-E120 WeakPolarHBondContact O-CB 2.98Å; L110-E120 WeakPolarHBondContact CA-OE1 3.27Å; L110-E120 HydrophobicContact CB-CG 3.9Å; L110-E120 WeakPolarHBondContact CB-OE1 3.32Å; L110-E120 HydrophobicContact CD1-CB 4.16Å; L110-E120 HydrophobicContact CD1-CG 3.94Å; L110-E120 HydrophobicContact CG-CB 3.86Å; L110-E120 HydrophobicContact CG-CG 3.69Å; L110-E120 PolarHBondContact N-OE1 3.48Å; D111-E120 PolarHBondContact N-OE1 3.38Å; I116-E120 HydrophobicContact CG2-CB 4.22Å; S117-E120 VanDerWaalsContact CB-OE2 3.25Å; S117-E120 WeakPolarHBondContact CB-OE2 3.44Å; S117-E120 PolarHBondContact N-OE2 3.31Å; S117-E120 PolarHBondContact O-N 3.08Å; S117-E120 WeakPolarHBondContact OG-CG 3.46Å; S117-E120 PolarHBondContact OG-N 3.4Å; S117-E120 PolarHBondContact OG-OE2 3.41Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3Å; E120-E123 PolarHBondContact O-N 3.06Å; E120-I124 PolarHBondContact O-N 2.57Å
121M94.8Very high93.5Very high0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-57.7-46.8172.9179.466.564.700111.6Y108 I116 S117 E123 I124 V125 T149 I152 F153 L164Y108-M121 HydrophobicContact CD1-CE 3.88Å; Y108-M121 HydrophobicContact CD1-SD 3.57Å; Y108-M121 VanDerWaalsContact CD1-SD 3.57Å; Y108-M121 HydrophobicContact CE1-CE 4.09Å; Y108-M121 HydrophobicContact CE1-SD 3.31Å; Y108-M121 WeakPolarHBondContact CE1-SD 3.48Å; Y108-M121 HydrophobicContact CG-CE 4.43Å; I116-M121 HydrophobicContact CG2-CB 4.08Å; I116-M121 HydrophobicContact CG2-CE 4.08Å; S117-M121 PolarHBondContact O-N 2.9Å; M121-E123 VanDerWaalsContact C-N 3.31Å; M121-E123 PolarHBondContact O-N 3.2Å; M121-I124 PolarHBondContact O-N 2.94Å; M121-V125 HydrophobicContact CG-CG2 4.29Å; M121-V125 WeakPolarHBondContact O-CB 3.33Å; M121-V125 WeakPolarHBondContact O-CG2 3.41Å; M121-V125 PolarHBondContact O-N 3.37Å; M121-V125 HydrophobicContact SD-CG2 4.07Å; M121-T149 HydrophobicContact CB-CG2 4.04Å; M121-T149 HydrophobicContact CG-CG2 3.74Å; M121-I152 HydrophobicContact CE-CG2 3.75Å; M121-I152 HydrophobicContact SD-CD1 3.84Å; M121-I152 HydrophobicContact SD-CG2 4.11Å; M121-F153 HydrophobicContact CB-CE2 3.66Å; M121-F153 HydrophobicContact CB-CZ 4.49Å; M121-F153 HydrophobicContact CE-CE2 4.46Å; M121-F153 HydrophobicContact CG-CD2 4.37Å; M121-F153 HydrophobicContact CG-CE2 3.89Å; M121-L164 HydrophobicContact CE-CD1 3.95Å
122L95.3Very high92.8Very high44 Ų4439 Ų3923%0.2322%0.221CC..Hα-helixtrans-60.5-40.9179-178.361000112.1K118 A119 E120 V125 Q126 P145 E146 T149K118-L122 VanDerWaalsContact O-CB 3.3Å; K118-L122 WeakPolarHBondContact O-CB 3.29Å; K118-L122 PolarHBondContact O-N 3.23Å; A119-L122 PolarHBondContact O-N 3.06Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3Å; L122-V125 PolarHBondContact O-N 3Å; L122-Q126 HydrophobicContact CD1-CG 4.08Å; L122-Q126 HydrophobicContact CG-CG 4.28Å; L122-Q126 WeakPolarHBondContact O-CB 3.2Å; L122-Q126 WeakPolarHBondContact O-CG 3.24Å; L122-Q126 PolarHBondContact O-N 3.22Å; L122-P145 HydrophobicContact CD1-CB 3.69Å; L122-E146 HydrophobicContact CD1-CB 4.49Å; L122-E146 HydrophobicContact CD1-CG 4.02Å; L122-E146 HydrophobicContact CD2-CG 4.41Å; L122-T149 WeakPolarHBondContact CA-OG1 3.42Å; L122-T149 HydrophobicContact CB-CG2 4.32Å
123E95.2Very high91.8Very high83 Ų8340.2 Ų40.239%0.38822%0.221SC..Hα-helixtrans-60.5-48.7179.2-176.5168.1162.600112.1H67 L110 A119 E120 M121 Q126 A127H67-E123 IonicContact CE1-OE1 3.3Å; H67-E123 PolarHBondContact CE1-OE1 3.4Å; H67-E123 VanDerWaalsContact CE1-OE1 3.3Å; H67-E123 IonicContact NE2-OE1 3.82Å; L110-E123 HydrophobicContact CD1-CB 4.16Å; L110-E123 VanDerWaalsContact CD1-CD 3.48Å; L110-E123 HydrophobicContact CD1-CG 4.17Å; L110-E123 VanDerWaalsContact CD1-OE2 3.31Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.05Å; A119-E123 PolarHBondContact O-N 3.41Å; E120-E123 PolarHBondContact O-N 3.06Å; M121-E123 VanDerWaalsContact C-N 3.31Å; M121-E123 PolarHBondContact O-N 3.2Å; E123-Q126 PolarHBondContact O-N 3.48Å; E123-A127 PolarHBondContact O-N 3.44Å
124I92.4Very high90.6Very high0 Ų039.7 Ų39.70%022%0.224CC..Hα-helixtrans-64.3-45.3176.8-59.9-56.1000111.1H67 Y108 L110 E120 M121 Q126 A127 I128H67-I124 HydrophobicContact CB-CD1 3.7Å; H67-I124 VanDerWaalsContact CD2-CD1 3.41Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.3Å; H67-I124 WeakPolarHBondContact ND1-CD1 3.13Å; Y108-I124 HydrophobicContact CD1-CB 3.66Å; Y108-I124 HydrophobicContact CD1-CG1 3.73Å; Y108-I124 HydrophobicContact CD1-CG2 3.86Å; Y108-I124 HydrophobicContact CE1-CB 3.51Å; Y108-I124 HydrophobicContact CE1-CG1 4.11Å; Y108-I124 HydrophobicContact CE1-CG2 3.35Å; Y108-I124 HydrophobicContact CE2-CG2 4.31Å; Y108-I124 HydrophobicContact CG-CG1 4.29Å; L110-I124 HydrophobicContact CD2-CD1 3.75Å; L110-I124 HydrophobicContact CD2-CG1 4.12Å; E120-I124 PolarHBondContact O-N 2.57Å; M121-I124 PolarHBondContact O-N 2.94Å; I124-Q126 VanDerWaalsContact C-N 3.29Å; I124-Q126 PolarHBondContact O-N 3.35Å; I124-A127 WeakPolarHBondContact O-CB 3.5Å; I124-A127 PolarHBondContact O-N 2.89Å; I124-A127 VanDerWaalsContact O-N 3.15Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 HydrophobicContact CG2-CG1 4.4Å; I124-I128 WeakPolarHBondContact O-CG1 3.33Å; I124-I128 PolarHBondContact O-N 2.85Å
125V91.2Very high89.3Confident1 Ų141.8 Ų41.81%0.00623%0.229CC..Hα-helixtrans-61.7-39.5178.9175.90000110.7M121 L122 I128 Y129 P145 R148 I152M121-V125 HydrophobicContact CG-CG2 4.29Å; M121-V125 WeakPolarHBondContact O-CB 3.33Å; M121-V125 WeakPolarHBondContact O-CG2 3.41Å; M121-V125 PolarHBondContact O-N 3.37Å; M121-V125 HydrophobicContact SD-CG2 4.07Å; L122-V125 PolarHBondContact O-N 3Å; V125-I128 PolarHBondContact O-N 2.68Å; V125-Y129 HydrophobicContact CG1-CD2 3.83Å; V125-Y129 HydrophobicContact CG1-CE2 3.66Å; V125-Y129 WeakPolarHBondContact O-CD2 3.42Å; V125-Y129 PolarHBondContact O-N 2.71Å; V125-P145 HydrophobicContact CB-CB 4.49Å; V125-P145 HydrophobicContact CG1-CB 3.85Å; V125-R148 HydrophobicContact CG1-CB 4.16Å; V125-R148 HydrophobicContact CG1-CG 4.16Å; V125-I152 HydrophobicContact CG2-CD1 4.37Å
126Q92.3Very high88.1Confident75 Ų7538.6 Ų38.635%0.3522%0.218SC..Hα-helixtrans-62.8-42.5174.4-77.6177.3-9.600112.2L122 E123 I124 I128 Y129 K130 P145 E146L122-Q126 HydrophobicContact CD1-CG 4.08Å; L122-Q126 HydrophobicContact CG-CG 4.28Å; L122-Q126 WeakPolarHBondContact O-CB 3.2Å; L122-Q126 WeakPolarHBondContact O-CG 3.24Å; L122-Q126 PolarHBondContact O-N 3.22Å; E123-Q126 PolarHBondContact O-N 3.48Å; I124-Q126 VanDerWaalsContact C-N 3.29Å; I124-Q126 PolarHBondContact O-N 3.35Å; Q126-I128 VanDerWaalsContact C-N 3.33Å; Q126-Y129 PolarHBondContact O-N 3.14Å; Q126-K130 WeakPolarHBondContact O-CG 3.42Å; Q126-K130 PolarHBondContact O-N 3.22Å; Q126-P145 HydrophobicContact CB-CB 4.44Å; Q126-P145 HydrophobicContact CB-CG 4.46Å; Q126-P145 HydrophobicContact CG-CB 3.52Å; Q126-P145 HydrophobicContact CG-CG 3.75Å; Q126-E146 PolarHBondContact NE2-OE1 3.08Å
127A91Very high87.1Confident1 Ų148.5 Ų48.51%0.00826%0.261CS..Hα-helixtrans-61.4-43.417600000111.5K63 F64 E123 I124 K130 M131K63-A127 HydrophobicContact CB-CB 3.83Å; F64-A127 HydrophobicContact CB-CB 4.33Å; E123-A127 PolarHBondContact O-N 3.44Å; I124-A127 WeakPolarHBondContact O-CB 3.5Å; I124-A127 PolarHBondContact O-N 2.89Å; I124-A127 VanDerWaalsContact O-N 3.15Å; A127-K130 PolarHBondContact O-N 3.01Å; A127-M131 PolarHBondContact O-N 2.92Å; A127-M131 VanDerWaalsContact O-N 3.08Å
128I87Confident86Confident8 Ų848.9 Ų48.94%0.04126%0.259CS..Hα-helixtrans-61.9-45.7175.5-68.5169.6000110.9F64 I124 V125 Q126 K130 M131 V132 C185F64-I128 HydrophobicContact CD2-CD1 4.5Å; F64-I128 HydrophobicContact CD2-CG1 3.61Å; F64-I128 HydrophobicContact CE2-CD1 4.06Å; F64-I128 HydrophobicContact CE2-CG1 3.6Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 HydrophobicContact CG2-CG1 4.4Å; I124-I128 WeakPolarHBondContact O-CG1 3.33Å; I124-I128 PolarHBondContact O-N 2.85Å; V125-I128 PolarHBondContact O-N 2.68Å; Q126-I128 VanDerWaalsContact C-N 3.33Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.19Å; I128-M131 WeakPolarHBondContact O-CB 3.24Å; I128-M131 PolarHBondContact O-N 3.01Å; I128-M131 VanDerWaalsContact O-N 3.08Å; I128-V132 WeakPolarHBondContact O-CG2 3.48Å; I128-V132 PolarHBondContact O-N 2.73Å; I128-C185 HydrophobicContact CG2-CB 3.63Å; I128-C185 WeakPolarHBondContact CG2-SG 3.11Å
129Y87.3Confident85.2Confident24 Ų2448.1 Ų48.19%0.09426%0.262CS..Hα-helixtrans-62.3-40.6179.7-87.2-128.1000111.4V125 Q126 M131 V132 S133 M138 E142 P145 R148V125-Y129 HydrophobicContact CG1-CD2 3.83Å; V125-Y129 HydrophobicContact CG1-CE2 3.66Å; V125-Y129 WeakPolarHBondContact O-CD2 3.42Å; V125-Y129 PolarHBondContact O-N 2.71Å; Q126-Y129 PolarHBondContact O-N 3.14Å; Y129-M131 VanDerWaalsContact C-N 3.28Å; Y129-M131 PolarHBondContact O-N 2.62Å; Y129-V132 PolarHBondContact O-N 3.02Å; Y129-S133 WeakPolarHBondContact O-CA 3.14Å; Y129-S133 WeakPolarHBondContact O-CB 3.26Å; Y129-S133 PolarHBondContact O-N 2.88Å; Y129-S133 PolarHBondContact O-OG 3.17Å; Y129-M138 HydrophobicContact CE1-CG 3.97Å; Y129-M138 HydrophobicContact CE2-CE 4.36Å; Y129-E142 WeakPolarHBondContact CE1-O 3.47Å; Y129-E142 PolarHBondContact OH-O 2.85Å; Y129-P145 HydrophobicContact CD1-CG 3.75Å; Y129-P145 HydrophobicContact CD2-CG 4.39Å; Y129-P145 HydrophobicContact CE1-CG 4.32Å; Y129-P145 HydrophobicContact CG-CG 3.79Å; Y129-R148 WeakPolarHBondContact OH-CD 3.31Å; Y129-R148 PolarHBondContact OH-NH1 3.31Å
130K86.9Confident84.5Confident100 Ų10052.7 Ų52.744%0.43527%0.271SS..Hα-helixtrans-61.5-37.6173.8-75.3-175.2175.1-167.80112.7D60 Q126 A127 I128D60-K130 HydrophobicContact CB-CB 4.39Å; D60-K130 PolarHBondContact N-O 3.16Å; D60-K130 VanDerWaalsContact N-O 3.12Å; D60-K130 CarbonylContact O-C 3.38Å; Q126-K130 WeakPolarHBondContact O-CG 3.42Å; Q126-K130 PolarHBondContact O-N 3.22Å; A127-K130 PolarHBondContact O-N 3.01Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.19Å
131M83.8Confident83.8Confident8 Ų855.9 Ų55.94%0.03929%0.289CS..Hα-helixtrans-69.2-36178.2-175.4176.770.600113F56 G59 D60 A61 F64 A127 I128 Y129F56-M131 HydrophobicContact CB-CG 4.15Å; F56-M131 HydrophobicContact CD1-CG 3.91Å; F56-M131 HydrophobicContact CD1-SD 4.26Å; F56-M131 HydrophobicContact CD2-CG 4.19Å; F56-M131 HydrophobicContact CD2-SD 3.82Å; F56-M131 HydrophobicContact CE1-CE 4.24Å; F56-M131 HydrophobicContact CE1-CG 4.36Å; F56-M131 HydrophobicContact CE1-SD 4.25Å; F56-M131 HydrophobicContact CE2-CE 4.45Å; F56-M131 HydrophobicContact CE2-SD 3.82Å; F56-M131 HydrophobicContact CG-CG 3.81Å; F56-M131 HydrophobicContact CG-SD 4.05Å; F56-M131 HydrophobicContact CZ-CE 4.11Å; F56-M131 HydrophobicContact CZ-SD 4.03Å; G59-M131 WeakPolarHBondContact CA-O 3.49Å; D60-M131 WeakPolarHBondContact O-CA 3.39Å; D60-M131 PolarHBondContact O-N 3.23Å; A61-M131 HydrophobicContact CB-CG 3.87Å; A61-M131 HydrophobicContact CB-SD 3.98Å; F64-M131 HydrophobicContact CB-SD 3.97Å; F64-M131 HydrophobicContact CD1-CE 3.76Å; F64-M131 HydrophobicContact CD1-SD 3.5Å; F64-M131 VanDerWaalsContact CD1-SD 3.5Å; F64-M131 HydrophobicContact CE1-CE 4.02Å; F64-M131 HydrophobicContact CE1-SD 4.25Å; F64-M131 HydrophobicContact CG-CE 4.08Å; F64-M131 HydrophobicContact CG-SD 3.89Å; A127-M131 PolarHBondContact O-N 2.92Å; A127-M131 VanDerWaalsContact O-N 3.08Å; I128-M131 WeakPolarHBondContact O-CB 3.24Å; I128-M131 PolarHBondContact O-N 3.01Å; I128-M131 VanDerWaalsContact O-N 3.08Å; Y129-M131 VanDerWaalsContact C-N 3.28Å; Y129-M131 PolarHBondContact O-N 2.62Å
132V80.5Confident83.2Confident1 Ų156.9 Ų56.91%0.00629%0.294CS..Hα-helixtrans-112-5.6-172.9-530000115.5I128 Y129 S134 V135 M136 M138 C185I128-V132 WeakPolarHBondContact O-CG2 3.48Å; I128-V132 PolarHBondContact O-N 2.73Å; Y129-V132 PolarHBondContact O-N 3.02Å; V132-S134 PolarHBondContact O-N 2.98Å; V132-V135 HydrophobicContact CB-CG2 4.09Å; V132-V135 WeakPolarHBondContact O-CG2 3.47Å; V132-V135 PolarHBondContact O-N 3.09Å; V132-M136 HydrophobicContact CB-CB 4.44Å; V132-M136 HydrophobicContact CB-CG 4.08Å; V132-M136 HydrophobicContact CB-SD 3.83Å; V132-M136 HydrophobicContact CG1-SD 4.16Å; V132-M136 HydrophobicContact CG2-CB 4.3Å; V132-M136 HydrophobicContact CG2-CG 4.33Å; V132-M136 HydrophobicContact CG2-SD 3.88Å; V132-M136 PolarHBondContact O-N 2.85Å; V132-M138 HydrophobicContact CG2-CE 3.64Å; V132-C185 HydrophobicContact CG1-CB 4.12Å
133S73.6Confident82.7Confident86 Ų8657.5 Ų57.560%0.60130%0.301SS*.THydrogen-bonded Turntrans-56.5-28.3-172.753.40000114.7Y129 V135Y129-S133 WeakPolarHBondContact O-CA 3.14Å; Y129-S133 WeakPolarHBondContact O-CB 3.26Å; Y129-S133 PolarHBondContact O-N 2.88Å; Y129-S133 PolarHBondContact O-OG 3.17Å; S133-V135 VanDerWaalsContact C-N 3.34Å
134S70.3Confident82.5Confident71 Ų7155.7 Ų55.750%0.49730%0.296SS..THydrogen-bonded Turntrans-79.1-16.2177.654.80000113.9Y58 V132Y58-S134 VanDerWaalsContact C-OG 3.24Å; Y58-S134 VanDerWaalsContact O-CB 3.24Å; Y58-S134 WeakPolarHBondContact O-CB 3.38Å; Y58-S134 PolarHBondContact O-OG 3.39Å; V132-S134 PolarHBondContact O-N 2.98Å
135V70.6Confident82.4Confident79 Ų7956.7 Ų56.748%0.47930%0.303SS..THydrogen-bonded Turntrans-121.4-16.7-169.8-68.90000114.1V132 S133V132-V135 HydrophobicContact CB-CG2 4.09Å; V132-V135 WeakPolarHBondContact O-CG2 3.47Å; V132-V135 PolarHBondContact O-N 3.09Å; S133-V135 VanDerWaalsContact C-N 3.34Å
136M72.2Confident82.5Confident24 Ų2461 Ų6112%0.11832%0.323CS..  trans-122.7129.8-177-63.4-174.68800112.2V132 M138 C185 D186 A190V132-M136 HydrophobicContact CB-CB 4.44Å; V132-M136 HydrophobicContact CB-CG 4.08Å; V132-M136 HydrophobicContact CB-SD 3.83Å; V132-M136 HydrophobicContact CG1-SD 4.16Å; V132-M136 HydrophobicContact CG2-CB 4.3Å; V132-M136 HydrophobicContact CG2-CG 4.33Å; V132-M136 HydrophobicContact CG2-SD 3.88Å; V132-M136 PolarHBondContact O-N 2.85Å; M136-M138 HydrophobicContact CB-CE 3.96Å; M136-M138 HydrophobicContact SD-CE 4.34Å; M136-C185 HydrophobicContact SD-CB 4.33Å; M136-D186 WeakPolarHBondContact CE-O 3.22Å; M136-A190 HydrophobicContact CE-CB 4.09Å; M136-A190 HydrophobicContact CG-CB 4.15Å
137K75.2Confident82.5Confident207 Ų20761.7 Ų61.790%0.932%0.324SS*.PPolyproline II helixtrans-84.9122.5164.2-70-177.6179.6176.70108.7
138M75.5Confident82.5Confident48 Ų4862 Ų6224%0.23633%0.325CS..PPolyproline II helixtrans-89.5146.7176.7-63.4-62.5172.600110.8Y129 V132 M136Y129-M138 HydrophobicContact CE1-CG 3.97Å; Y129-M138 HydrophobicContact CE2-CE 4.36Å; V132-M138 HydrophobicContact CG2-CE 3.64Å; M136-M138 HydrophobicContact CB-CE 3.96Å; M136-M138 HydrophobicContact SD-CE 4.34Å
139P79.5Confident82.8Confident64 Ų6462 Ų6242%0.41633%0.326SS..PPolyproline II helixtrans-54.2154.6167.9-24.834.3000112.4D141 E142 S143P139-D141 VanDerWaalsContact C-N 3.28Å; P139-D141 WeakPolarHBondContact CB-OD1 3.3Å; P139-D141 PolarHBondContact O-N 3.29Å; P139-E142 HydrophobicContact CB-CB 4.41Å; P139-E142 CarbonylContact O-C 3.5Å; P139-E142 VanDerWaalsContact O-C 3.25Å; P139-E142 PolarHBondContact O-N 2.85Å; P139-S143 WeakPolarHBondContact O-CA 3.33Å; P139-S143 PolarHBondContact O-N 3.02Å
140E82.4Confident83Confident167 Ų16765.1 Ų65.178%0.7834%0.341SS*.G310 helixtrans-62-34.3-177.2-171-178.8175.600113.3E142 S143 K147E140-E142 PolarHBondContact O-N 2.98Å; E140-S143 WeakPolarHBondContact O-CB 3.45Å; E140-S143 PolarHBondContact O-N 2.83Å; E140-S143 PolarHBondContact O-OG 2.87Å; E140-K147 PolarHBondContact O-NZ 3.2Å
141D82.2Confident83.2Confident82 Ų8261.7 Ų61.744%0.43933%0.326SS..G310 helixtrans-80.2-3.3177.269.8-41.2000113.4P139 K147 K151P139-D141 VanDerWaalsContact C-N 3.28Å; P139-D141 WeakPolarHBondContact CB-OD1 3.3Å; P139-D141 PolarHBondContact O-N 3.29Å; D141-K147 WeakPolarHBondContact O-CB 3.33Å; D141-K151 IonicContact OD2-NZ 2.71Å; D141-K151 PolarHBondContact OD2-NZ 2.95Å
142E83.5Confident83.5Confident22 Ų2261.3 Ų61.310%0.10333%0.325CS..G310 helixtrans-127.416.9175.2-64.7168.2-156.600110.6Y129 P139 E140 T144 R148 K151 L182Y129-E142 WeakPolarHBondContact CE1-O 3.47Å; Y129-E142 PolarHBondContact OH-O 2.85Å; P139-E142 HydrophobicContact CB-CB 4.41Å; P139-E142 CarbonylContact O-C 3.5Å; P139-E142 VanDerWaalsContact O-C 3.25Å; P139-E142 PolarHBondContact O-N 2.85Å; E140-E142 PolarHBondContact O-N 2.98Å; E142-T144 PolarHBondContact O-N 3.02Å; E142-T144 VanDerWaalsContact O-N 3.07Å; E142-R148 HydrophobicContact CB-CB 4.48Å; E142-K151 HydrophobicContact CG-CD 4Å; E142-K151 IonicContact OE1-NZ 2.68Å; E142-K151 PolarHBondContact OE1-NZ 2.94Å; E142-L182 HydrophobicContact CG-CD2 4.2Å; E142-L182 WeakPolarHBondContact OE1-CD2 3.29Å; E142-L182 VanDerWaalsContact OE2-CD2 3.24Å; E142-L182 WeakPolarHBondContact OE2-CD2 3.46Å
143S84.1Confident84.1Confident56 Ų5661.5 Ų61.539%0.39233%0.325SS..SBendtrans-66.3-18-170.371.50000113.3P139 E140 K147P139-S143 WeakPolarHBondContact O-CA 3.33Å; P139-S143 PolarHBondContact O-N 3.02Å; E140-S143 WeakPolarHBondContact O-CB 3.45Å; E140-S143 PolarHBondContact O-N 2.83Å; E140-S143 PolarHBondContact O-OG 2.87Å; S143-K147 PolarHBondContact OG-NZ 3.4Å
144T90Very high85Confident46 Ų4665.6 Ų65.628%0.28233%0.328SS..SBendtrans-130.1154.6175.983.40000110.2E142 E146 K147 R148E142-T144 PolarHBondContact O-N 3.02Å; E142-T144 VanDerWaalsContact O-N 3.07Å; T144-E146 WeakPolarHBondContact CB-OE2 3.39Å; T144-E146 PolarHBondContact O-N 3.15Å; T144-E146 PolarHBondContact OG1-N 3.42Å; T144-E146 PolarHBondContact OG1-OE2 3.01Å; T144-K147 PolarHBondContact O-N 3.24Å; T144-K147 PolarHBondContact OG1-N 3.29Å; T144-R148 PolarHBondContact O-N 3.04Å; T144-R148 VanDerWaalsContact O-N 3.13Å
145P91.1Very high85.9Confident20 Ų2065.5 Ų65.513%0.1332%0.319CS..Hα-helixtrans-52.2-39.9173.6-29.438.1000113L122 V125 Q126 Y129 R148 T149L122-P145 HydrophobicContact CD1-CB 3.69Å; V125-P145 HydrophobicContact CB-CB 4.49Å; V125-P145 HydrophobicContact CG1-CB 3.85Å; Q126-P145 HydrophobicContact CB-CB 4.44Å; Q126-P145 HydrophobicContact CB-CG 4.46Å; Q126-P145 HydrophobicContact CG-CB 3.52Å; Q126-P145 HydrophobicContact CG-CG 3.75Å; Y129-P145 HydrophobicContact CD1-CG 3.75Å; Y129-P145 HydrophobicContact CD2-CG 4.39Å; Y129-P145 HydrophobicContact CE1-CG 4.32Å; Y129-P145 HydrophobicContact CG-CG 3.79Å; P145-R148 PolarHBondContact O-N 3.47Å; P145-T149 WeakPolarHBondContact O-CB 3.28Å; P145-T149 PolarHBondContact O-N 2.9Å; P145-T149 PolarHBondContact O-OG1 2.82Å; P145-T149 VanDerWaalsContact O-OG1 3.09Å
146E94.3Very high87Confident92 Ų9261.9 Ų61.943%0.4330%0.297SS..Hα-helixtrans-65-44.3-178.6-57.671.1-153.900111.6L122 Q126 T144 R148 T149 E150L122-E146 HydrophobicContact CD1-CB 4.49Å; L122-E146 HydrophobicContact CD1-CG 4.02Å; L122-E146 HydrophobicContact CD2-CG 4.41Å; Q126-E146 PolarHBondContact NE2-OE1 3.08Å; T144-E146 WeakPolarHBondContact CB-OE2 3.39Å; T144-E146 PolarHBondContact O-N 3.15Å; T144-E146 PolarHBondContact OG1-N 3.42Å; T144-E146 PolarHBondContact OG1-OE2 3.01Å; E146-R148 VanDerWaalsContact C-N 3.33Å; E146-R148 PolarHBondContact O-N 3.25Å; E146-T149 PolarHBondContact O-N 2.83Å; E146-E150 WeakPolarHBondContact O-CB 3.36Å; E146-E150 PolarHBondContact O-N 3.39Å
147K92.1Very high88Confident89 Ų8961.7 Ų61.739%0.38730%0.297SS..Hα-helixtrans-63.1-42176.7-72-177.7174.7176.50111.4E140 D141 S143 T144 E150 K151E140-K147 PolarHBondContact O-NZ 3.2Å; D141-K147 WeakPolarHBondContact O-CB 3.33Å; S143-K147 PolarHBondContact OG-NZ 3.4Å; T144-K147 PolarHBondContact O-N 3.24Å; T144-K147 PolarHBondContact OG1-N 3.29Å; K147-E150 PolarHBondContact O-N 2.97Å; K147-K151 WeakPolarHBondContact O-CB 3.45Å; K147-K151 PolarHBondContact O-N 3.22Å
148R89.9Confident88.9Confident8 Ų856 Ų563%0.0328%0.279CS..Hα-helixtrans-65.4-45.4177.4-178.9160.5176.7162.7-0.1111.8V125 Y129 E142 T144 P145 E146 E150 K151 I152 R181 L182 C185V125-R148 HydrophobicContact CG1-CB 4.16Å; V125-R148 HydrophobicContact CG1-CG 4.16Å; Y129-R148 WeakPolarHBondContact OH-CD 3.31Å; Y129-R148 PolarHBondContact OH-NH1 3.31Å; E142-R148 HydrophobicContact CB-CB 4.48Å; T144-R148 PolarHBondContact O-N 3.04Å; T144-R148 VanDerWaalsContact O-N 3.13Å; P145-R148 PolarHBondContact O-N 3.47Å; E146-R148 VanDerWaalsContact C-N 3.33Å; E146-R148 PolarHBondContact O-N 3.25Å; R148-E150 VanDerWaalsContact C-N 3.34Å; R148-E150 PolarHBondContact O-N 3.13Å; R148-K151 PolarHBondContact O-N 3.07Å; R148-I152 HydrophobicContact CG-CD1 3.97Å; R148-I152 VanDerWaalsContact O-CG1 3.28Å; R148-I152 WeakPolarHBondContact O-CG1 3.38Å; R148-I152 PolarHBondContact O-N 3.09Å; R148-R181 PolarHBondContact NH2-O 2.84Å; R148-R181 VanDerWaalsContact NH2-O 3.09Å; R148-L182 HydrophobicContact CG-CD2 3.97Å; R148-L182 VanDerWaalsContact CZ-O 3.32Å; R148-L182 PolarHBondContact NE-O 2.85Å; R148-L182 VanDerWaalsContact NE-O 3.14Å; R148-L182 VanDerWaalsContact NH2-CA 3.27Å; R148-L182 PolarHBondContact NH2-O 3.35Å; R148-C185 PolarHBondContact NH2-SG 2.89Å
149T92.9Very high89.8Confident8 Ų858 Ų585%0.04929%0.291CS..Hα-helixtrans-58.5-46174.9-66.50000111.4M121 L122 P145 E146 K151 I152 F153M121-T149 HydrophobicContact CB-CG2 4.04Å; M121-T149 HydrophobicContact CG-CG2 3.74Å; L122-T149 WeakPolarHBondContact CA-OG1 3.42Å; L122-T149 HydrophobicContact CB-CG2 4.32Å; P145-T149 WeakPolarHBondContact O-CB 3.28Å; P145-T149 PolarHBondContact O-N 2.9Å; P145-T149 PolarHBondContact O-OG1 2.82Å; P145-T149 VanDerWaalsContact O-OG1 3.09Å; E146-T149 PolarHBondContact O-N 2.83Å; T149-K151 VanDerWaalsContact C-N 3.32Å; T149-K151 PolarHBondContact O-N 2.71Å; T149-I152 PolarHBondContact O-N 3.22Å; T149-F153 HydrophobicContact CG2-CD2 4.12Å; T149-F153 HydrophobicContact CG2-CE2 4.34Å; T149-F153 WeakPolarHBondContact O-CD2 3.32Å; T149-F153 PolarHBondContact O-N 3.11Å
150E92.8Very high90.6Very high90 Ų9065.4 Ų65.442%0.42131%0.311SS..Hα-helixtrans-64.4-38.5178.5-172.257.8-151.700111.9K118 E146 K147 R148 F153 R154K118-E150 IonicContact NZ-OE1 3.49Å; K118-E150 PolarHBondContact NZ-OE1 3.22Å; K118-E150 IonicContact NZ-OE2 2.73Å; K118-E150 PolarHBondContact NZ-OE2 3.3Å; E146-E150 WeakPolarHBondContact O-CB 3.36Å; E146-E150 PolarHBondContact O-N 3.39Å; K147-E150 PolarHBondContact O-N 2.97Å; R148-E150 VanDerWaalsContact C-N 3.34Å; R148-E150 PolarHBondContact O-N 3.13Å; E150-F153 PolarHBondContact O-N 3.42Å; E150-R154 VanDerWaalsContact O-CB 3.26Å; E150-R154 WeakPolarHBondContact O-CB 3.15Å; E150-R154 PolarHBondContact O-N 2.79Å
151K90.3Very high91.3Very high28 Ų2861 Ų6112%0.12229%0.292CS..Hα-helixtrans-62.6-45.3175.1-174.9174-179.41770111.8D141 E142 K147 R148 T149 R154 Q155 L182D141-K151 IonicContact OD2-NZ 2.71Å; D141-K151 PolarHBondContact OD2-NZ 2.95Å; E142-K151 HydrophobicContact CG-CD 4Å; E142-K151 IonicContact OE1-NZ 2.68Å; E142-K151 PolarHBondContact OE1-NZ 2.94Å; K147-K151 WeakPolarHBondContact O-CB 3.45Å; K147-K151 PolarHBondContact O-N 3.22Å; R148-K151 PolarHBondContact O-N 3.07Å; T149-K151 VanDerWaalsContact C-N 3.32Å; T149-K151 PolarHBondContact O-N 2.71Å; K151-R154 PolarHBondContact O-N 3.43Å; K151-Q155 WeakPolarHBondContact O-CG 3.3Å; K151-Q155 PolarHBondContact O-N 3.45Å; K151-L182 HydrophobicContact CD-CD1 4.45Å; K151-L182 HydrophobicContact CG-CD1 4.49Å
152I90.8Very high91.9Very high0 Ų058.7 Ų58.70%029%0.288CS..Hα-helixtrans-58.1-52.5176.4-70.8167.8000110.2M121 V125 R148 T149 R154 Q155 M156 L164 L182M121-I152 HydrophobicContact CE-CG2 3.75Å; M121-I152 HydrophobicContact SD-CD1 3.84Å; M121-I152 HydrophobicContact SD-CG2 4.11Å; V125-I152 HydrophobicContact CG2-CD1 4.37Å; R148-I152 HydrophobicContact CG-CD1 3.97Å; R148-I152 VanDerWaalsContact O-CG1 3.28Å; R148-I152 WeakPolarHBondContact O-CG1 3.38Å; R148-I152 PolarHBondContact O-N 3.09Å; T149-I152 PolarHBondContact O-N 3.22Å; I152-R154 PolarHBondContact O-N 2.92Å; I152-Q155 PolarHBondContact O-N 3.49Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; I152-M156 HydrophobicContact CG2-SD 3.61Å; I152-M156 WeakPolarHBondContact O-CB 3.45Å; I152-M156 WeakPolarHBondContact O-CG 3.46Å; I152-M156 PolarHBondContact O-N 3.43Å; I152-L164 HydrophobicContact CG2-CD1 4.32Å; I152-L182 HydrophobicContact CD1-CB 4.22Å; I152-L182 HydrophobicContact CG1-CB 4.13Å; I152-L182 HydrophobicContact CG1-CD1 3.9Å
153F93.5Very high92.6Very high4 Ų461 Ų612%0.01830%0.298CS..Hα-helixtrans-61.8-44.6-179.9-92.3-99.4000112.3I116 K118 M121 T149 E150 Q155 M156 D157 G162 L164I116-F153 WeakPolarHBondContact O-CZ 3.41Å; K118-F153 HydrophobicContact CB-CE2 4.33Å; K118-F153 HydrophobicContact CB-CZ 4.24Å; K118-F153 HydrophobicContact CD-CD1 4.33Å; K118-F153 HydrophobicContact CD-CG 4.38Å; K118-F153 HydrophobicContact CG-CD1 3.64Å; K118-F153 HydrophobicContact CG-CD2 3.89Å; K118-F153 HydrophobicContact CG-CE1 3.54Å; K118-F153 HydrophobicContact CG-CE2 3.81Å; K118-F153 HydrophobicContact CG-CG 3.81Å; K118-F153 HydrophobicContact CG-CZ 3.64Å; M121-F153 HydrophobicContact CB-CE2 3.66Å; M121-F153 HydrophobicContact CB-CZ 4.49Å; M121-F153 HydrophobicContact CE-CE2 4.46Å; M121-F153 HydrophobicContact CG-CD2 4.37Å; M121-F153 HydrophobicContact CG-CE2 3.89Å; T149-F153 HydrophobicContact CG2-CD2 4.12Å; T149-F153 HydrophobicContact CG2-CE2 4.34Å; T149-F153 WeakPolarHBondContact O-CD2 3.32Å; T149-F153 PolarHBondContact O-N 3.11Å; E150-F153 PolarHBondContact O-N 3.42Å; F153-Q155 PolarHBondContact O-N 2.95Å; F153-Q155 VanDerWaalsContact O-N 3.12Å; F153-M156 PolarHBondContact O-N 3.3Å; F153-D157 HydrophobicContact CD1-CB 4.1Å; F153-D157 VanDerWaalsContact O-CB 3.22Å; F153-D157 WeakPolarHBondContact O-CB 3.44Å; F153-D157 PolarHBondContact O-N 3.19Å; F153-G162 WeakPolarHBondContact CE1-O 3.41Å; F153-L164 HydrophobicContact CD1-CD2 4.4Å; F153-L164 HydrophobicContact CD1-CG 4.37Å; F153-L164 HydrophobicContact CE1-CD2 4.36Å; F153-L164 HydrophobicContact CE1-CG 3.92Å; F153-L164 HydrophobicContact CE2-CD1 4.2Å; F153-L164 HydrophobicContact CE2-CG 4.4Å; F153-L164 HydrophobicContact CZ-CD1 4.21Å; F153-L164 HydrophobicContact CZ-CG 3.93Å
154R91.9Very high93.2Very high173 Ų17358.3 Ų58.365%0.65328%0.279SS*.Hα-helixtrans-57.7-29.9177.5-175.8176.965.1-148.9-1.1113E150 K151 I152E150-R154 VanDerWaalsContact O-CB 3.26Å; E150-R154 WeakPolarHBondContact O-CB 3.15Å; E150-R154 PolarHBondContact O-N 2.79Å; K151-R154 PolarHBondContact O-N 3.43Å; I152-R154 PolarHBondContact O-N 2.92Å
155Q89.4Confident93.5Very high69 Ų6957.3 Ų57.332%0.32227%0.274SS..Hα-helixtrans-90-30.9-179.8-68.7177.2-27.900113.4K151 I152 F153 I179K151-Q155 WeakPolarHBondContact O-CG 3.3Å; K151-Q155 PolarHBondContact O-N 3.45Å; I152-Q155 PolarHBondContact O-N 3.49Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; F153-Q155 PolarHBondContact O-N 2.95Å; F153-Q155 VanDerWaalsContact O-N 3.12Å; Q155-I179 HydrophobicContact CB-CD1 3.94Å; Q155-I179 VanDerWaalsContact OE1-CG1 3.31Å
156M92.4Very high93.8Very high2 Ų259.2 Ų59.21%0.0128%0.283CS..Hα-helixtrans-107.4-31.3-168.4-62179.362.800114.1I152 F153 T158 L164 E168 F169 I179I152-M156 HydrophobicContact CG2-SD 3.61Å; I152-M156 WeakPolarHBondContact O-CB 3.45Å; I152-M156 WeakPolarHBondContact O-CG 3.46Å; I152-M156 PolarHBondContact O-N 3.43Å; F153-M156 PolarHBondContact O-N 3.3Å; M156-T158 VanDerWaalsContact C-N 3.34Å; M156-T158 PolarHBondContact O-N 3.44Å; M156-L164 HydrophobicContact CB-CD1 4.1Å; M156-L164 HydrophobicContact CB-CD2 3.63Å; M156-L164 HydrophobicContact CE-CD1 4.29Å; M156-L164 HydrophobicContact SD-CD1 4.46Å; M156-E168 WeakPolarHBondContact O-CB 3.45Å; M156-F169 HydrophobicContact CE-CB 4.17Å; M156-F169 HydrophobicContact CE-CD2 3.63Å; M156-F169 HydrophobicContact CE-CE2 4.29Å; M156-F169 HydrophobicContact CE-CG 4.02Å; M156-F169 WeakPolarHBondContact CE-O 3.37Å; M156-I179 HydrophobicContact CE-CG2 4.19Å; M156-I179 HydrophobicContact CG-CD1 3.71Å; M156-I179 HydrophobicContact CG-CG2 4.45Å; M156-I179 HydrophobicContact SD-CD1 4.11Å; M156-I179 HydrophobicContact SD-CG1 4.47Å; M156-I179 HydrophobicContact SD-CG2 3.45Å; M156-I179 WeakPolarHBondContact SD-CG2 3.44Å
157D95.2Very high93.8Very high21 Ų2161.4 Ų61.411%0.11229%0.293CS..  trans-77.884.8179.2-178-0.2000109.2F153 N159 R160 D161 G162 L164F153-D157 HydrophobicContact CD1-CB 4.1Å; F153-D157 VanDerWaalsContact O-CB 3.22Å; F153-D157 WeakPolarHBondContact O-CB 3.44Å; F153-D157 PolarHBondContact O-N 3.19Å; D157-N159 PolarHBondContact OD1-OD1 2.94Å; D157-N159 VanDerWaalsContact OD1-OD1 3.07Å; D157-R160 WeakPolarHBondContact OD1-CA 3.22Å; D157-R160 PolarHBondContact OD1-N 3.44Å; D157-D161 PolarHBondContact OD1-N 3.14Å; D157-G162 WeakPolarHBondContact OD2-CA 3.45Å; D157-G162 PolarHBondContact OD2-N 3.38Å; D157-L164 HydrophobicContact CB-CD2 3.71Å
158T93.2Very high94Very high87 Ų8757.5 Ų57.553%0.53428%0.276SS..SBendtrans-76.8-32-172.256.60000112.2M156 E168M156-T158 VanDerWaalsContact C-N 3.34Å; M156-T158 PolarHBondContact O-N 3.44Å; T158-E168 PolarHBondContact N-OE1 2.86Å; T158-E168 PolarHBondContact OG1-OE1 2.84Å
159N95.4Very high94.2Very high91 Ų9157.1 Ų57.149%0.48728%0.275SS..SBendtrans-88.8-12.4-179.971.122.3000112.7D157 D161 E168D157-N159 PolarHBondContact OD1-OD1 2.94Å; D157-N159 VanDerWaalsContact OD1-OD1 3.07Å; N159-D161 VanDerWaalsContact C-N 3.32Å; N159-D161 PolarHBondContact ND2-OD2 3.12Å; N159-D161 VanDerWaalsContact OD1-CB 3.24Å; N159-D161 WeakPolarHBondContact OD1-CB 3.45Å; N159-D161 PolarHBondContact OD1-N 2.97Å; N159-D161 PolarHBondContact OD1-OD1 3.23Å; N159-E168 PolarHBondContact N-OE1 3.13Å
160R94.5Very high94.2Very high219 Ų21957.7 Ų57.783%0.82628%0.278SS*.  trans6234.7179.7-55.6-178179.31770.1113.5D157 G162D157-R160 WeakPolarHBondContact OD1-CA 3.22Å; D157-R160 PolarHBondContact OD1-N 3.44Å; R160-G162 VanDerWaalsContact C-N 3.26Å
161D96.9Very high94.2Very high73 Ų7359.9 Ų59.939%0.3928%0.282SS..SBendtrans-84.1-3.1176.2752.7000112.9D157 N159 K163D157-D161 PolarHBondContact OD1-N 3.14Å; N159-D161 VanDerWaalsContact C-N 3.32Å; N159-D161 PolarHBondContact ND2-OD2 3.12Å; N159-D161 VanDerWaalsContact OD1-CB 3.24Å; N159-D161 WeakPolarHBondContact OD1-CB 3.45Å; N159-D161 PolarHBondContact OD1-N 2.97Å; N159-D161 PolarHBondContact OD1-OD1 3.23Å; D161-K163 VanDerWaalsContact CG-CG 3.46Å; D161-K163 WeakPolarHBondContact OD1-CG 3.28Å; D161-K163 PolarHBondContact OD1-N 2.88Å; D161-K163 WeakPolarHBondContact OD2-CE 3.2Å
162G95.6Very high94.1Very high35 Ų3558.8 Ų58.836%0.36128%0.278SS..SBendtrans84.49.317600000114.2F153 D157 R160F153-G162 WeakPolarHBondContact CE1-O 3.41Å; D157-G162 WeakPolarHBondContact OD2-CA 3.45Å; D157-G162 PolarHBondContact OD2-N 3.38Å; R160-G162 VanDerWaalsContact C-N 3.26Å
163K97.4Very high94Very high70 Ų7059 Ų5930%0.30428%0.28SS..EExtended strand (participates in β ladder)trans-139.3163.9176.655-178.5-175.6167.10109.6Y115 I116 D161Y115-K163 HydrophobicContact CD1-CD 3.62Å; Y115-K163 HydrophobicContact CD1-CG 3.97Å; Y115-K163 HydrophobicContact CD2-CD 4.32Å; Y115-K163 HydrophobicContact CE1-CD 4.24Å; Y115-K163 HydrophobicContact CG-CD 3.68Å; Y115-K163 HydrophobicContact CG-CG 4.35Å; I116-K163 CarbonylContact O-C 3.44Å; I116-K163 VanDerWaalsContact O-CA 3.3Å; I116-K163 WeakPolarHBondContact O-CA 3.35Å; D161-K163 VanDerWaalsContact CG-CG 3.46Å; D161-K163 WeakPolarHBondContact OD1-CG 3.28Å; D161-K163 PolarHBondContact OD1-N 2.88Å; D161-K163 WeakPolarHBondContact OD2-CE 3.2Å
164L97Very high93.7Very high0 Ų063.8 Ų63.80%030%0.301CS..EExtended strand (participates in β ladder)trans-111.2120177.5-60.5177.5000109.8Y115 I116 M121 I152 F153 M156 D157Y115-L164 WeakPolarHBondContact CA-O 3.4Å; I116-L164 HydrophobicContact CB-CB 4.27Å; I116-L164 PolarHBondContact N-O 2.66Å; I116-L164 PolarHBondContact O-N 2.8Å; M121-L164 HydrophobicContact CE-CD1 3.95Å; I152-L164 HydrophobicContact CG2-CD1 4.32Å; F153-L164 HydrophobicContact CD1-CD2 4.4Å; F153-L164 HydrophobicContact CD1-CG 4.37Å; F153-L164 HydrophobicContact CE1-CD2 4.36Å; F153-L164 HydrophobicContact CE1-CG 3.92Å; F153-L164 HydrophobicContact CE2-CD1 4.2Å; F153-L164 HydrophobicContact CE2-CG 4.4Å; F153-L164 HydrophobicContact CZ-CD1 4.21Å; F153-L164 HydrophobicContact CZ-CG 3.93Å; M156-L164 HydrophobicContact CB-CD1 4.1Å; M156-L164 HydrophobicContact CB-CD2 3.63Å; M156-L164 HydrophobicContact CE-CD1 4.29Å; M156-L164 HydrophobicContact SD-CD1 4.46Å; D157-L164 HydrophobicContact CB-CD2 3.71Å
165S97.6Very high93.2Very high25 Ų2559.8 Ų59.818%0.17530%0.299CS..EExtended strand (participates in β ladder)trans-70.9160.2166.162.50000111.4E167 E168 F169S165-E167 PolarHBondContact O-N 3.21Å; S165-E168 PolarHBondContact N-OE2 3.4Å; S165-E168 VanDerWaalsContact N-OE2 3.09Å; S165-E168 PolarHBondContact O-N 3.24Å; S165-E168 WeakPolarHBondContact OG-CB 3.46Å; S165-E168 WeakPolarHBondContact OG-CG 3.44Å; S165-E168 PolarHBondContact OG-N 2.75Å; S165-E168 PolarHBondContact OG-OE2 3.24Å; S165-F169 WeakPolarHBondContact O-CB 3.34Å; S165-F169 PolarHBondContact O-N 3.47Å
166L96.1Very high92.3Very high59 Ų5958.8 Ų58.831%0.30930%0.296SS..Hα-helixtrans-55.6-37.5173.5178.663.1000112.3K102 F105 F169 I170K102-L166 HydrophobicContact CG-CD1 4.09Å; K102-L166 HydrophobicContact CG-CD2 4.25Å; F105-L166 HydrophobicContact CB-CD1 3.63Å; F105-L166 HydrophobicContact CD1-CD1 4.01Å; F105-L166 HydrophobicContact CD2-CB 4.31Å; F105-L166 HydrophobicContact CD2-CD1 3.82Å; F105-L166 HydrophobicContact CE1-CB 4.44Å; F105-L166 VanDerWaalsContact CE2-CA 3.5Å; F105-L166 HydrophobicContact CE2-CB 4.16Å; F105-L166 HydrophobicContact CE2-CD1 4.5Å; F105-L166 HydrophobicContact CG-CD1 3.53Å; F105-L166 HydrophobicContact CZ-CB 4.23Å; L166-F169 PolarHBondContact O-N 3.3Å; L166-I170 HydrophobicContact CD1-CD1 3.76Å; L166-I170 HydrophobicContact CD1-CG1 4.07Å; L166-I170 HydrophobicContact CD2-CD1 4.47Å; L166-I170 HydrophobicContact CG-CD1 3.82Å; L166-I170 HydrophobicContact CG-CG1 4.46Å; L166-I170 WeakPolarHBondContact O-CB 3.23Å; L166-I170 VanDerWaalsContact O-CG1 3.3Å; L166-I170 WeakPolarHBondContact O-CG1 3.26Å; L166-I170 PolarHBondContact O-N 2.75Å
167E95.9Very high91.4Very high139 Ų13963.1 Ų63.165%0.6532%0.324SS*.Hα-helixtrans-66.2-45.3178.5-67.2-172.2-177.200112.2S165 F169 R171S165-E167 PolarHBondContact O-N 3.21Å; E167-F169 VanDerWaalsContact C-N 3.3Å; E167-R171 WeakPolarHBondContact O-CB 3.46Å; E167-R171 PolarHBondContact O-N 3.43Å
168E95.6Very high90.1Very high6 Ų664 Ų643%0.02833%0.332CS..Hα-helixtrans-62.8-40.8174.5-77.6169.2133.500111.2M156 T158 N159 S165 R171 G172M156-E168 WeakPolarHBondContact O-CB 3.45Å; T158-E168 PolarHBondContact N-OE1 2.86Å; T158-E168 PolarHBondContact OG1-OE1 2.84Å; N159-E168 PolarHBondContact N-OE1 3.13Å; S165-E168 PolarHBondContact N-OE2 3.4Å; S165-E168 VanDerWaalsContact N-OE2 3.09Å; S165-E168 PolarHBondContact O-N 3.24Å; S165-E168 WeakPolarHBondContact OG-CB 3.46Å; S165-E168 WeakPolarHBondContact OG-CG 3.44Å; S165-E168 PolarHBondContact OG-N 2.75Å; S165-E168 PolarHBondContact OG-OE2 3.24Å; E168-R171 PolarHBondContact O-N 2.98Å; E168-G172 PolarHBondContact O-N 3.42Å
169F93.7Very high88.7Confident0 Ų060 Ų600%031%0.307CS..Hα-helixtrans-60.5-52.2177.6-171.8-93.9000112.3L101 A104 F105 Y108 I116 M156 S165 L166 E167 A173 L183L101-F169 HydrophobicContact CD2-CE1 4.34Å; L101-F169 WeakPolarHBondContact O-CE1 3.4Å; A104-F169 HydrophobicContact CB-CE1 4.17Å; A104-F169 HydrophobicContact CB-CZ 4.25Å; F105-F169 HydrophobicContact CB-CD1 4.06Å; F105-F169 HydrophobicContact CB-CE1 4.25Å; F105-F169 HydrophobicContact CD2-CB 3.58Å; F105-F169 HydrophobicContact CD2-CD1 4.04Å; F105-F169 HydrophobicContact CD2-CD2 4.21Å; F105-F169 AromaticContact CD2-CG 3.7Å; F105-F169 HydrophobicContact CD2-CG 3.7Å; F105-F169 HydrophobicContact CE2-CB 4.02Å; F105-F169 HydrophobicContact CE2-CG 4.5Å; Y108-F169 HydrophobicContact CD2-CE2 4.23Å; Y108-F169 HydrophobicContact CD2-CZ 4.17Å; Y108-F169 HydrophobicContact CE2-CZ 4.41Å; I116-F169 HydrophobicContact CD1-CD2 3.62Å; I116-F169 HydrophobicContact CD1-CE2 3.92Å; I116-F169 HydrophobicContact CD1-CG 4.3Å; M156-F169 HydrophobicContact CE-CB 4.17Å; M156-F169 HydrophobicContact CE-CD2 3.63Å; M156-F169 HydrophobicContact CE-CE2 4.29Å; M156-F169 HydrophobicContact CE-CG 4.02Å; M156-F169 WeakPolarHBondContact CE-O 3.37Å; S165-F169 WeakPolarHBondContact O-CB 3.34Å; S165-F169 PolarHBondContact O-N 3.47Å; L166-F169 PolarHBondContact O-N 3.3Å; E167-F169 VanDerWaalsContact C-N 3.3Å; F169-A173 VanDerWaalsContact O-CB 3.28Å; F169-A173 WeakPolarHBondContact O-CB 3.33Å; F169-A173 PolarHBondContact O-N 2.93Å; F169-L183 HydrophobicContact CE1-CD1 4.16Å; F169-L183 HydrophobicContact CE2-CD1 3.92Å; F169-L183 HydrophobicContact CE2-CD2 3.67Å; F169-L183 HydrophobicContact CE2-CG 4.47Å; F169-L183 HydrophobicContact CZ-CD1 3.53Å; F169-L183 HydrophobicContact CZ-CD2 3.78Å; F169-L183 HydrophobicContact CZ-CG 4.29Å
170I92.3Very high87.5Confident21 Ų2157.2 Ų57.211%0.10829%0.294CS..Hα-helixtrans-64.6-42.3178.8-69.1171000110.8E98 L101 K102 L166 K174E98-I170 HydrophobicContact CG-CD1 4.25Å; L101-I170 HydrophobicContact CB-CG1 4.07Å; L101-I170 HydrophobicContact CD1-CG2 4.23Å; K102-I170 HydrophobicContact CG-CD1 4.09Å; L166-I170 HydrophobicContact CD1-CD1 3.76Å; L166-I170 HydrophobicContact CD1-CG1 4.07Å; L166-I170 HydrophobicContact CD2-CD1 4.47Å; L166-I170 HydrophobicContact CG-CD1 3.82Å; L166-I170 HydrophobicContact CG-CG1 4.46Å; L166-I170 WeakPolarHBondContact O-CB 3.23Å; L166-I170 VanDerWaalsContact O-CG1 3.3Å; L166-I170 WeakPolarHBondContact O-CG1 3.26Å; L166-I170 PolarHBondContact O-N 2.75Å; I170-K174 HydrophobicContact CG2-CD 3.81Å; I170-K174 HydrophobicContact CG2-CG 4.37Å; I170-K174 WeakPolarHBondContact O-CB 3.34Å; I170-K174 VanDerWaalsContact O-CG 3.27Å; I170-K174 WeakPolarHBondContact O-CG 3.45Å; I170-K174 PolarHBondContact O-N 2.96Å
171R92.5Very high86.2Confident136 Ų13654 Ų5451%0.51328%0.282SS..Hα-helixtrans-63.5-50.5-179.7-174-176.8-59.2148.16.4110.6E167 E168 K174 S175E167-R171 WeakPolarHBondContact O-CB 3.46Å; E167-R171 PolarHBondContact O-N 3.43Å; E168-R171 PolarHBondContact O-N 2.98Å; R171-K174 PolarHBondContact O-N 3.28Å; R171-S175 WeakPolarHBondContact O-CB 3.38Å; R171-S175 PolarHBondContact O-N 3.02Å; R171-S175 PolarHBondContact O-OG 3.3Å
172G89.8Confident84.3Confident4 Ų450.7 Ų50.74%0.04126%0.264CS..Hα-helixtrans-58-49.617800000112E168 K174 S175 D176 I179E168-G172 PolarHBondContact O-N 3.42Å; G172-K174 VanDerWaalsContact C-N 3.29Å; G172-K174 PolarHBondContact O-N 2.99Å; G172-S175 WeakPolarHBondContact CA-OG 3.34Å; G172-S175 PolarHBondContact O-N 3.26Å; G172-S175 PolarHBondContact O-OG 3.44Å; G172-D176 PolarHBondContact O-N 3.3Å; G172-I179 WeakPolarHBondContact O-CD1 3.4Å
173A87.9Confident82.7Confident4 Ų450.1 Ų50.13%0.03325%0.252CS..Hα-helixtrans-62.3-34.4177.600000113L101 F169 I179 V180 L183L101-A173 HydrophobicContact CD1-CB 4.02Å; L101-A173 HydrophobicContact CD2-CB 3.53Å; L101-A173 HydrophobicContact CG-CB 4.42Å; F169-A173 VanDerWaalsContact O-CB 3.28Å; F169-A173 WeakPolarHBondContact O-CB 3.33Å; F169-A173 PolarHBondContact O-N 2.93Å; A173-I179 HydrophobicContact CB-CG2 4.35Å; A173-V180 HydrophobicContact CB-CG2 4.5Å; A173-V180 WeakPolarHBondContact O-CG2 3.21Å; A173-L183 HydrophobicContact CB-CD1 4.01Å
174K86.5Confident81Confident106 Ų10652.4 Ų52.446%0.46126%0.264SS..Hα-helixtrans-77.2-31.8176-75.4178.1178.7174.90113L97 E98 L101 I170 R171 G172L97-K174 HydrophobicContact CD2-CG 4.19Å; E98-K174 IonicContact OE2-NZ 2.85Å; L101-K174 HydrophobicContact CD1-CG 4.12Å; I170-K174 HydrophobicContact CG2-CD 3.81Å; I170-K174 HydrophobicContact CG2-CG 4.37Å; I170-K174 WeakPolarHBondContact O-CB 3.34Å; I170-K174 VanDerWaalsContact O-CG 3.27Å; I170-K174 WeakPolarHBondContact O-CG 3.45Å; I170-K174 PolarHBondContact O-N 2.96Å; R171-K174 PolarHBondContact O-N 3.28Å; G172-K174 VanDerWaalsContact C-N 3.29Å; G172-K174 PolarHBondContact O-N 2.99Å
175S82Confident78.7Confident88 Ų8853.6 Ų53.662%0.61527%0.272SS*.Hα-helixtrans-79-27.8-174.355.20000113.6R171 G172R171-S175 WeakPolarHBondContact O-CB 3.38Å; R171-S175 PolarHBondContact O-N 3.02Å; R171-S175 PolarHBondContact O-OG 3.3Å; G172-S175 WeakPolarHBondContact CA-OG 3.34Å; G172-S175 PolarHBondContact O-N 3.26Å; G172-S175 PolarHBondContact O-OG 3.44Å
176D71.5Confident76.3Confident48 Ų4855.7 Ų55.726%0.25728%0.281SS..  trans-134.9109.1-173-165.5-24.1000110.6G172 S178 I179 V180G172-D176 PolarHBondContact O-N 3.3Å; D176-S178 PolarHBondContact O-N 3.23Å; D176-S178 VanDerWaalsContact O-N 3.12Å; D176-S178 WeakPolarHBondContact OD1-CA 3.3Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 2.69Å; D176-S178 PolarHBondContact OD1-OG 2.92Å; D176-S178 PolarHBondContact OD2-OG 3.42Å; D176-I179 HydrophobicContact CB-CB 4.19Å; D176-I179 HydrophobicContact CB-CD1 3.75Å; D176-I179 HydrophobicContact CB-CG1 3.82Å; D176-I179 WeakPolarHBondContact O-CA 3.31Å; D176-I179 WeakPolarHBondContact O-CB 3.15Å; D176-I179 PolarHBondContact O-N 3.49Å; D176-V180 PolarHBondContact O-N 2.99Å
177P73.4Confident73.4Confident93 Ų9356.1 Ų56.160%0.60429%0.287SS*.Hα-helixtrans-56.2-25.6172.8-25.434.8000113V180 R181P177-V180 PolarHBondContact O-N 3.29Å; P177-R181 WeakPolarHBondContact O-CG 3.46Å; P177-R181 PolarHBondContact O-N 2.93Å
178S67.3Low70.5Confident40 Ų4053.5 Ų53.528%0.2829%0.285SS..Hα-helixtrans-66.5-37.4172.379.80000111.3D176 V180 R181 L182D176-S178 PolarHBondContact O-N 3.23Å; D176-S178 VanDerWaalsContact O-N 3.12Å; D176-S178 WeakPolarHBondContact OD1-CA 3.3Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 2.69Å; D176-S178 PolarHBondContact OD1-OG 2.92Å; D176-S178 PolarHBondContact OD2-OG 3.42Å; S178-V180 VanDerWaalsContact C-N 3.31Å; S178-V180 PolarHBondContact O-N 2.84Å; S178-R181 CarbonylContact O-C 3.57Å; S178-R181 WeakPolarHBondContact O-CA 3.26Å; S178-R181 WeakPolarHBondContact O-CB 3.45Å; S178-R181 PolarHBondContact O-N 3.14Å; S178-R181 VanDerWaalsContact O-N 3.08Å; S178-L182 VanDerWaalsContact O-CG 3.26Å; S178-L182 WeakPolarHBondContact O-CG 3.25Å; S178-L182 PolarHBondContact O-N 2.83Å
179I64.3Low67.6Low2 Ų255.3 Ų55.31%0.0130%0.298CS..Hα-helixtrans-63.1-40.1173.1-68.1172.2000110.6Q155 M156 G172 A173 D176 R181 L182 L183Q155-I179 HydrophobicContact CB-CD1 3.94Å; Q155-I179 VanDerWaalsContact OE1-CG1 3.31Å; M156-I179 HydrophobicContact CE-CG2 4.19Å; M156-I179 HydrophobicContact CG-CD1 3.71Å; M156-I179 HydrophobicContact CG-CG2 4.45Å; M156-I179 HydrophobicContact SD-CD1 4.11Å; M156-I179 HydrophobicContact SD-CG1 4.47Å; M156-I179 HydrophobicContact SD-CG2 3.45Å; M156-I179 WeakPolarHBondContact SD-CG2 3.44Å; G172-I179 WeakPolarHBondContact O-CD1 3.4Å; A173-I179 HydrophobicContact CB-CG2 4.35Å; D176-I179 HydrophobicContact CB-CB 4.19Å; D176-I179 HydrophobicContact CB-CD1 3.75Å; D176-I179 HydrophobicContact CB-CG1 3.82Å; D176-I179 WeakPolarHBondContact O-CA 3.31Å; D176-I179 WeakPolarHBondContact O-CB 3.15Å; D176-I179 PolarHBondContact O-N 3.49Å; I179-R181 VanDerWaalsContact C-N 3.29Å; I179-R181 PolarHBondContact O-N 2.81Å; I179-L182 CarbonylContact O-C 3.25Å; I179-L182 WeakPolarHBondContact O-CA 3.44Å; I179-L182 WeakPolarHBondContact O-CB 3.3Å; I179-L182 PolarHBondContact O-N 2.93Å; I179-L183 HydrophobicContact CG2-CD1 4Å; I179-L183 HydrophobicContact CG2-CG 4.34Å; I179-L183 VanDerWaalsContact O-CG 3.3Å; I179-L183 WeakPolarHBondContact O-CG 3.3Å; I179-L183 PolarHBondContact O-N 2.77Å
180V69.7Low64.8Low33 Ų3357.7 Ų57.720%0.232%0.318CS..Hα-helixtrans-60.6-41.8173.7-176.80000110.8A173 D176 P177 S178 L182 L183 Q184A173-V180 HydrophobicContact CB-CG2 4.5Å; A173-V180 WeakPolarHBondContact O-CG2 3.21Å; D176-V180 PolarHBondContact O-N 2.99Å; P177-V180 PolarHBondContact O-N 3.29Å; S178-V180 VanDerWaalsContact C-N 3.31Å; S178-V180 PolarHBondContact O-N 2.84Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 2.75Å; V180-L183 CarbonylContact O-C 3.52Å; V180-L183 PolarHBondContact O-N 3.27Å; V180-Q184 HydrophobicContact CG1-CG 4.12Å; V180-Q184 WeakPolarHBondContact O-CB 3.4Å; V180-Q184 WeakPolarHBondContact O-CG 3.12Å; V180-Q184 PolarHBondContact O-N 3.07Å
181R67Low61.9Low153 Ų15360 Ų6058%0.57735%0.346SS*.Hα-helixtrans-66.8-29.7172.2-65.7171.8-179.7-169.3-1.7112.8R148 P177 S178 I179 L183 Q184R148-R181 PolarHBondContact NH2-O 2.84Å; R148-R181 VanDerWaalsContact NH2-O 3.09Å; P177-R181 WeakPolarHBondContact O-CG 3.46Å; P177-R181 PolarHBondContact O-N 2.93Å; S178-R181 CarbonylContact O-C 3.57Å; S178-R181 WeakPolarHBondContact O-CA 3.26Å; S178-R181 WeakPolarHBondContact O-CB 3.45Å; S178-R181 PolarHBondContact O-N 3.14Å; S178-R181 VanDerWaalsContact O-N 3.08Å; I179-R181 VanDerWaalsContact C-N 3.29Å; I179-R181 PolarHBondContact O-N 2.81Å; R181-L183 VanDerWaalsContact C-N 3.3Å; R181-Q184 CarbonylContact C-O 3.59Å; R181-Q184 CarbonylContact O-C 3.37Å
182L57.2Low58.8Low3 Ų361.1 Ų61.12%0.01636%0.357CS..Hα-helixtrans-70.5-31.1173.9-69.5178.2000111.3E142 R148 K151 I152 S178 I179 V180E142-L182 HydrophobicContact CG-CD2 4.2Å; E142-L182 WeakPolarHBondContact OE1-CD2 3.29Å; E142-L182 VanDerWaalsContact OE2-CD2 3.24Å; E142-L182 WeakPolarHBondContact OE2-CD2 3.46Å; R148-L182 HydrophobicContact CG-CD2 3.97Å; R148-L182 VanDerWaalsContact CZ-O 3.32Å; R148-L182 PolarHBondContact NE-O 2.85Å; R148-L182 VanDerWaalsContact NE-O 3.14Å; R148-L182 VanDerWaalsContact NH2-CA 3.27Å; R148-L182 PolarHBondContact NH2-O 3.35Å; K151-L182 HydrophobicContact CD-CD1 4.45Å; K151-L182 HydrophobicContact CG-CD1 4.49Å; I152-L182 HydrophobicContact CD1-CB 4.22Å; I152-L182 HydrophobicContact CG1-CB 4.13Å; I152-L182 HydrophobicContact CG1-CD1 3.9Å; S178-L182 VanDerWaalsContact O-CG 3.26Å; S178-L182 WeakPolarHBondContact O-CG 3.25Å; S178-L182 PolarHBondContact O-N 2.83Å; I179-L182 CarbonylContact O-C 3.25Å; I179-L182 WeakPolarHBondContact O-CA 3.44Å; I179-L182 WeakPolarHBondContact O-CB 3.3Å; I179-L182 PolarHBondContact O-N 2.93Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 2.75Å
183L61.8Low56.1Low23 Ų2373.1 Ų73.112%0.1241%0.409CS..Hα-helixtrans-86.2-31.1175.5-64.1171.1000112.6Y108 F169 A173 I179 V180 R181Y108-L183 HydrophobicContact CE2-CD2 3.71Å; F169-L183 HydrophobicContact CE1-CD1 4.16Å; F169-L183 HydrophobicContact CE2-CD1 3.92Å; F169-L183 HydrophobicContact CE2-CD2 3.67Å; F169-L183 HydrophobicContact CE2-CG 4.47Å; F169-L183 HydrophobicContact CZ-CD1 3.53Å; F169-L183 HydrophobicContact CZ-CD2 3.78Å; F169-L183 HydrophobicContact CZ-CG 4.29Å; A173-L183 HydrophobicContact CB-CD1 4.01Å; I179-L183 HydrophobicContact CG2-CD1 4Å; I179-L183 HydrophobicContact CG2-CG 4.34Å; I179-L183 VanDerWaalsContact O-CG 3.3Å; I179-L183 WeakPolarHBondContact O-CG 3.3Å; I179-L183 PolarHBondContact O-N 2.77Å; V180-L183 CarbonylContact O-C 3.52Å; V180-L183 PolarHBondContact O-N 3.27Å; R181-L183 VanDerWaalsContact C-N 3.3Å
184Q62.1Low54.5Low118 Ų11876.6 Ų76.655%0.55143%0.428SS*.  trans-105.8102.9178.6-62.8179.5-9.300109.3V180 R181 D186V180-Q184 HydrophobicContact CG1-CG 4.12Å; V180-Q184 WeakPolarHBondContact O-CB 3.4Å; V180-Q184 WeakPolarHBondContact O-CG 3.12Å; V180-Q184 PolarHBondContact O-N 3.07Å; R181-Q184 CarbonylContact C-O 3.59Å; R181-Q184 CarbonylContact O-C 3.37Å; Q184-D186 PolarHBondContact O-N 3.09Å
185C49.2Very low52.8Low24 Ų2475.1 Ų75.116%0.16243%0.426CS..  trans-73.283162.8-82.60000109.1I128 V132 M136 R148 P187I128-C185 HydrophobicContact CG2-CB 3.63Å; I128-C185 WeakPolarHBondContact CG2-SG 3.11Å; V132-C185 HydrophobicContact CG1-CB 4.12Å; M136-C185 HydrophobicContact SD-CB 4.33Å; R148-C185 PolarHBondContact NH2-SG 2.89Å; C185-P187 WeakPolarHBondContact O-CD 3.33Å
186D45.7Very low51.2Low69 Ų6974.3 Ų74.337%0.36942%0.416SS..  trans-77107.2171-178.86.8000109.1M136 Q184 S188 S189M136-D186 WeakPolarHBondContact CE-O 3.22Å; Q184-D186 PolarHBondContact O-N 3.09Å; D186-S188 PolarHBondContact O-N 2.8Å; D186-S188 VanDerWaalsContact O-N 3.12Å; D186-S188 WeakPolarHBondContact OD1-CA 2.99Å; D186-S188 WeakPolarHBondContact OD1-CB 3.11Å; D186-S188 PolarHBondContact OD1-N 2.96Å; D186-S188 PolarHBondContact OD1-OG 3.49Å; D186-S189 PolarHBondContact O-N 2.97Å; D186-S189 PolarHBondContact O-OG 3.26Å
187P36.2Very low50Low68 Ų6875.9 Ų75.944%0.44243%0.425SS..G310 helixtrans-59.7-22.417624.2-32.3000112.4C185 S189 A190C185-P187 WeakPolarHBondContact O-CD 3.33Å; P187-S189 PolarHBondContact O-N 2.99Å; P187-A190 WeakPolarHBondContact O-CB 3.24Å; P187-A190 PolarHBondContact O-N 3.17Å
188S34Very low48.5Very low85 Ų8574.8 Ų74.859%0.59441%0.414SS*.G310 helixtrans-67.5-25.1178-320000112.6D186 A190 G191D186-S188 PolarHBondContact O-N 2.8Å; D186-S188 VanDerWaalsContact O-N 3.12Å; D186-S188 WeakPolarHBondContact OD1-CA 2.99Å; D186-S188 WeakPolarHBondContact OD1-CB 3.11Å; D186-S188 PolarHBondContact OD1-N 2.96Å; D186-S188 PolarHBondContact OD1-OG 3.49Å; S188-A190 VanDerWaalsContact C-N 3.29Å; S188-A190 PolarHBondContact O-N 3.34Å; S188-G191 PolarHBondContact O-N 2.73Å
189S35.6Very low47.2Very low43 Ų4377.1 Ų77.130%0.30142%0.423SS..G310 helixtrans-78.9-13.2-179.464.20000113.3D186 P187 G191D186-S189 PolarHBondContact O-N 2.97Å; D186-S189 PolarHBondContact O-OG 3.26Å; P187-S189 PolarHBondContact O-N 2.99Å; S189-G191 PolarHBondContact O-N 2.88Å
190A34.7Very low46Very low50 Ų5082.5 Ų82.541%0.41345%0.452SS..G310 helixtrans-74.4-6.817300000113.9M136 P187 S188M136-A190 HydrophobicContact CE-CB 4.09Å; M136-A190 HydrophobicContact CG-CB 4.15Å; P187-A190 WeakPolarHBondContact O-CB 3.24Å; P187-A190 PolarHBondContact O-N 3.17Å; S188-A190 VanDerWaalsContact C-N 3.29Å; S188-A190 PolarHBondContact O-N 3.34Å
191G30.7Very low44.2Very low69 Ų6986.3 Ų86.371%0.71147%0.472SS*.G310 helixtrans-1005.3179.500000115.9S188 S189S188-G191 PolarHBondContact O-N 2.73Å; S189-G191 PolarHBondContact O-N 2.88Å
192Q28.9Very low42.3Very low160 Ų16080.8 Ų80.875%0.74846%0.463SS*.  trans-112.411.5-176.4-69.8-168.11600115.3
193F31.8Very low41Very low257 Ų25787.8 Ų87.8100%1.12750%0.504SS*.  trans-136.20169.2-68.2-74.8000111.8

Retrieved 193 of 193 residues in 124.6 ms (Link to these results)

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