A0A077ZHQ4_TRITR Loading...

DRBM domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZHQ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 94 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
1M43.5Very low63.3Low237 Ų237124.1 Ų124.1100%1.16767%0.674SS**  01150-73.3162.475.700106.5S3M1-S3 PolarHBondContact O-N 2.81Å
2A47.5Very low65.9Low102 Ų102115.2 Ų115.284%0.84363%0.627SS**PPolyproline II helixtrans-67119.5170.200000106.8
3S49.1Very low67.9Low105 Ų105110.5 Ų110.573%0.73460%0.601SS**PPolyproline II helixtrans-51.1134.6169.6-510000107.7M1M1-S3 PolarHBondContact O-N 2.81Å
4P48.2Very low69.4Low107 Ų107103.2 Ų103.270%0.69556%0.561SS**PPolyproline II helixtrans-53.5140.9176.721.7-30.5000108.3E6P4-E6 PolarHBondContact O-N 3.14Å
5P54Low70.9Confident124 Ų12496.4 Ų96.481%0.80552%0.524SS*.PPolyproline II helixtrans-53.2117.6-178.721.2-31.4000107.4R7P5-R7 PolarHBondContact O-N 3.33Å
6E60.6Low72.3Confident173 Ų17397.1 Ų97.181%0.80852%0.521SS*.  trans-52.3115.6175.4-79.7-176.197.400105.9P4 L8P4-E6 PolarHBondContact O-N 3.14Å; E6-L8 PolarHBondContact O-N 3.47Å
7R63.6Low73.4Confident235 Ų23594.1 Ų94.189%0.88750%0.504SS*.  trans-56.9116.7177.3-70.4-174-163.3171.85.1105.5P5 K9P5-R7 PolarHBondContact O-N 3.33Å; R7-K9 PolarHBondContact O-N 3.36Å
8L70Confident74.2Confident161 Ų16189.6 Ų89.684%0.84348%0.479SS*.  trans-48113.7173.9-69.3171.6000107.4E6 T10E6-L8 PolarHBondContact O-N 3.47Å; L8-T10 PolarHBondContact O-N 3.13Å
9K81.1Confident75.1Confident64 Ų6484.9 Ų84.928%0.27845%0.454SS..  trans-60.1126.3-179.2-69.3168.4-169.1159.60106.8R7 D13 H14 I17 D86 E89 Y93R7-K9 PolarHBondContact O-N 3.36Å; K9-D13 HydrophobicContact CB-CB 4.21Å; K9-H14 WeakPolarHBondContact CB-NE2 3.4Å; K9-H14 PolarHBondContact O-NE2 3.38Å; K9-I17 HydrophobicContact CD-CD1 3.83Å; K9-D86 IonicContact NZ-OD1 3.51Å; K9-E89 WeakPolarHBondContact CD-OE2 3.07Å; K9-E89 IonicContact NZ-OE1 3.44Å; K9-E89 PolarHBondContact NZ-OE1 3.43Å; K9-E89 IonicContact NZ-OE2 2.81Å; K9-E89 PolarHBondContact NZ-OE2 3.49Å; K9-Y93 PolarHBondContact O-OH 2.94Å
10T88.6Confident75.9Confident46 Ų4691.6 Ų91.628%0.28247%0.473SS..  trans-76163177.966.50000110.2L8 P12 D13 H14L8-T10 PolarHBondContact O-N 3.13Å; T10-P12 VanDerWaalsContact C-N 3.32Å; T10-P12 WeakPolarHBondContact OG1-CD 3.29Å; T10-D13 WeakPolarHBondContact CB-OD2 3.31Å; T10-D13 PolarHBondContact N-OD2 3.35Å; T10-D13 WeakPolarHBondContact O-CA 3.48Å; T10-D13 WeakPolarHBondContact O-CB 3.31Å; T10-D13 PolarHBondContact O-N 2.85Å; T10-D13 VanDerWaalsContact OG1-CG 3.25Å; T10-D13 PolarHBondContact OG1-OD2 3.47Å; T10-H14 PolarHBondContact O-CD2 3.32Å; T10-H14 VanDerWaalsContact O-CD2 3.29Å; T10-H14 PolarHBondContact O-N 3.11Å; T10-H14 VanDerWaalsContact O-N 3.13Å
11P90.5Very high76.4Confident11 Ų1192.1 Ų92.17%0.07147%0.469CS..Hα-helixtrans-52.2-43.5176.1-2532.1000113.4D13 H14 V15 A65 L66 L69 Y93P11-D13 PolarHBondContact O-N 3.45Å; P11-H14 PolarHBondContact O-N 2.89Å; P11-V15 WeakPolarHBondContact O-CG2 3.46Å; P11-V15 PolarHBondContact O-N 2.95Å; P11-V15 VanDerWaalsContact O-N 3.11Å; P11-A65 HydrophobicContact CB-CB 3.9Å; P11-L66 HydrophobicContact CB-CD2 3.81Å; P11-L66 HydrophobicContact CB-CG 3.85Å; P11-L66 HydrophobicContact CG-CD1 4.45Å; P11-L66 HydrophobicContact CG-CD2 3.59Å; P11-L66 HydrophobicContact CG-CG 3.82Å; P11-L69 HydrophobicContact CB-CD1 3.97Å; P11-Y93 HydrophobicContact CG-CD1 4.2Å; P11-Y93 HydrophobicContact CG-CE1 3.89Å
12P93.8Very high78.5Confident17 Ų1782.9 Ų82.911%0.1142%0.424CS..Hα-helixtrans-58.6-29171.4-27.136.1000115.2T10 K16 Q62 A65T10-P12 VanDerWaalsContact C-N 3.32Å; T10-P12 WeakPolarHBondContact OG1-CD 3.29Å; P12-K16 VanDerWaalsContact O-CG 3.28Å; P12-K16 WeakPolarHBondContact O-CG 3.42Å; P12-K16 PolarHBondContact O-N 3.35Å; P12-K16 VanDerWaalsContact O-N 3.15Å; P12-Q62 HydrophobicContact CG-CG 4.27Å; P12-A65 HydrophobicContact CB-CB 4.4Å; P12-A65 HydrophobicContact CG-CB 3.92Å
13D92.1Very high80.5Confident55 Ų5581.5 Ų81.529%0.29442%0.42SS..Hα-helixtrans-74-41.4177.7-58.9-42.7000111.3K9 T10 P11 V15 K16 I17K9-D13 HydrophobicContact CB-CB 4.21Å; T10-D13 WeakPolarHBondContact CB-OD2 3.31Å; T10-D13 PolarHBondContact N-OD2 3.35Å; T10-D13 WeakPolarHBondContact O-CA 3.48Å; T10-D13 WeakPolarHBondContact O-CB 3.31Å; T10-D13 PolarHBondContact O-N 2.85Å; T10-D13 VanDerWaalsContact OG1-CG 3.25Å; T10-D13 PolarHBondContact OG1-OD2 3.47Å; P11-D13 PolarHBondContact O-N 3.45Å; D13-V15 VanDerWaalsContact C-N 3.34Å; D13-V15 PolarHBondContact O-N 3.16Å; D13-K16 WeakPolarHBondContact O-CB 3.49Å; D13-K16 PolarHBondContact O-N 2.79Å; D13-K16 IonicContact OD1-NZ 3.49Å; D13-K16 PolarHBondContact OD1-NZ 3.09Å; D13-I17 WeakPolarHBondContact O-CG1 3.48Å; D13-I17 PolarHBondContact O-N 2.71Å
14H89.1Confident82.6Confident8 Ų881 Ų814%0.03741%0.405CS..Hα-helixtrans-59.8-43.9172.4-68.4-77.6000111.8K9 T10 P11 K16 I17 F18 L69 E89 Y93K9-H14 WeakPolarHBondContact CB-NE2 3.4Å; K9-H14 PolarHBondContact O-NE2 3.38Å; T10-H14 PolarHBondContact O-CD2 3.32Å; T10-H14 VanDerWaalsContact O-CD2 3.29Å; T10-H14 PolarHBondContact O-N 3.11Å; T10-H14 VanDerWaalsContact O-N 3.13Å; P11-H14 PolarHBondContact O-N 2.89Å; H14-K16 VanDerWaalsContact C-N 3.31Å; H14-K16 PolarHBondContact O-N 2.93Å; H14-I17 PolarHBondContact O-N 2.77Å; H14-F18 PolarHBondContact O-N 3.02Å; H14-L69 HydrophobicContact CB-CD1 4Å; H14-L69 HydrophobicContact CB-CD2 4.01Å; H14-E89 IonicContact CE1-OE2 3.14Å; H14-E89 PolarHBondContact CE1-OE2 2.8Å; H14-E89 IonicContact ND1-OE2 3.72Å; H14-Y93 AromaticContact CD2-CE2 3.76Å; H14-Y93 AromaticContact NE2-CE2 3.53Å
15V92.3Very high84.8Confident1 Ų179 Ų791%0.00640%0.396CS..Hα-helixtrans-60.3-41.1176.1178.90000111.3P11 D13 F18 A19 L43 V45 A65 F68 L69P11-V15 WeakPolarHBondContact O-CG2 3.46Å; P11-V15 PolarHBondContact O-N 2.95Å; P11-V15 VanDerWaalsContact O-N 3.11Å; D13-V15 VanDerWaalsContact C-N 3.34Å; D13-V15 PolarHBondContact O-N 3.16Å; V15-F18 PolarHBondContact O-N 2.89Å; V15-A19 VanDerWaalsContact O-CB 3.31Å; V15-A19 WeakPolarHBondContact O-CB 3.28Å; V15-A19 PolarHBondContact O-N 3.18Å; V15-L43 HydrophobicContact CG1-CD1 4.36Å; V15-L43 HydrophobicContact CG1-CD2 3.8Å; V15-L43 HydrophobicContact CG2-CD2 4.24Å; V15-V45 HydrophobicContact CG1-CG2 3.7Å; V15-A65 HydrophobicContact CG2-CB 3.81Å; V15-F68 HydrophobicContact CB-CD1 4.48Å; V15-F68 HydrophobicContact CG1-CD1 3.92Å; V15-F68 HydrophobicContact CG1-CE1 4.13Å; V15-F68 HydrophobicContact CG2-CB 4.45Å; V15-F68 HydrophobicContact CG2-CD1 3.87Å; V15-L69 HydrophobicContact CG2-CD2 3.84Å; V15-L69 HydrophobicContact CG2-CG 3.93Å
16K92.8Very high86.7Confident108 Ų10874.7 Ų74.747%0.4737%0.369SS..Hα-helixtrans-64-40.4176.6-73.3168.4-169.9166.40112.7P12 D13 H14 A19 R20 C26P12-K16 VanDerWaalsContact O-CG 3.28Å; P12-K16 WeakPolarHBondContact O-CG 3.42Å; P12-K16 PolarHBondContact O-N 3.35Å; P12-K16 VanDerWaalsContact O-N 3.15Å; D13-K16 WeakPolarHBondContact O-CB 3.49Å; D13-K16 PolarHBondContact O-N 2.79Å; D13-K16 IonicContact OD1-NZ 3.49Å; D13-K16 PolarHBondContact OD1-NZ 3.09Å; H14-K16 VanDerWaalsContact C-N 3.31Å; H14-K16 PolarHBondContact O-N 2.93Å; K16-A19 PolarHBondContact O-N 3.15Å; K16-R20 VanDerWaalsContact O-CB 3.29Å; K16-R20 WeakPolarHBondContact O-CB 3.28Å; K16-R20 PolarHBondContact O-N 3.2Å; K16-C26 HydrophobicContact CG-CB 4.47Å
17I90.2Very high88.5Confident45 Ų4571.5 Ų71.523%0.23136%0.357CS..Hα-helixtrans-61.5-50.6176.2-68165.6000109.4K9 D13 H14 A19 R20 R21K9-I17 HydrophobicContact CD-CD1 3.83Å; D13-I17 WeakPolarHBondContact O-CG1 3.48Å; D13-I17 PolarHBondContact O-N 2.71Å; H14-I17 PolarHBondContact O-N 2.77Å; I17-A19 PolarHBondContact O-N 3.37Å; I17-R20 PolarHBondContact O-N 3.18Å; I17-R21 WeakPolarHBondContact O-CG 3.49Å; I17-R21 PolarHBondContact O-N 2.95Å; I17-R21 VanDerWaalsContact O-N 3.11Å
18F88.4Confident90.1Very high14 Ų1463 Ų636%0.06133%0.325CS..Hα-helixtrans-54.9-51.9176171.5-91.4000111.7H14 V15 R20 R21 N22 F24 V45 F68 L72 N80 W81H14-F18 PolarHBondContact O-N 3.02Å; V15-F18 PolarHBondContact O-N 2.89Å; F18-R20 PolarHBondContact O-N 2.98Å; F18-R21 PolarHBondContact O-N 2.75Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.48Å; F18-N22 PolarHBondContact O-N 2.86Å; F18-N22 VanDerWaalsContact O-N 3.16Å; F18-N22 PolarHBondContact O-ND2 3.21Å; F18-F24 HydrophobicContact CE1-CD2 4.41Å; F18-V45 HydrophobicContact CD1-CG1 4.2Å; F18-V45 HydrophobicContact CE1-CG1 4.11Å; F18-F68 AromaticContact CD1-CE1 3.65Å; F18-F68 HydrophobicContact CD1-CE1 3.65Å; F18-F68 AromaticContact CD1-CZ 3.91Å; F18-F68 HydrophobicContact CD1-CZ 3.91Å; F18-F68 AromaticContact CE1-CE1 3.85Å; F18-F68 HydrophobicContact CE1-CE1 3.85Å; F18-F68 AromaticContact CE1-CZ 3.66Å; F18-F68 HydrophobicContact CE1-CZ 3.66Å; F18-F68 HydrophobicContact CG-CE1 4.4Å; F18-L72 HydrophobicContact CD1-CD1 4.05Å; F18-L72 HydrophobicContact CD2-CD1 3.68Å; F18-L72 HydrophobicContact CE1-CD1 4.12Å; F18-L72 HydrophobicContact CE1-CD2 4.32Å; F18-L72 HydrophobicContact CE2-CD1 3.74Å; F18-L72 HydrophobicContact CE2-CD2 4.07Å; F18-L72 HydrophobicContact CG-CD1 3.84Å; F18-L72 HydrophobicContact CZ-CD1 3.97Å; F18-L72 HydrophobicContact CZ-CD2 3.8Å; F18-N80 WeakPolarHBondContact CE2-O 3.27Å; F18-W81 HydrophobicContact CD2-CE3 4.19Å
19A91.4Very high91.4Very high1 Ų159.5 Ų59.51%0.00831%0.308CS..Hα-helixtrans-61.6-48.4-176.800000111.3V15 K16 I17 R21 N22 G23 F24 C26 V45V15-A19 VanDerWaalsContact O-CB 3.31Å; V15-A19 WeakPolarHBondContact O-CB 3.28Å; V15-A19 PolarHBondContact O-N 3.18Å; K16-A19 PolarHBondContact O-N 3.15Å; I17-A19 PolarHBondContact O-N 3.37Å; A19-R21 VanDerWaalsContact C-N 3.31Å; A19-R21 PolarHBondContact O-N 3.41Å; A19-N22 CarbonylContact O-C 3.46Å; A19-N22 PolarHBondContact O-N 2.95Å; A19-N22 VanDerWaalsContact O-N 3.13Å; A19-G23 PolarHBondContact O-N 2.84Å; A19-G23 VanDerWaalsContact O-N 3.14Å; A19-F24 CarbonylContact C-O 3.52Å; A19-F24 VanDerWaalsContact C-O 3.23Å; A19-F24 HydrophobicContact CB-CB 4.08Å; A19-F24 WeakPolarHBondContact CB-O 3.42Å; A19-F24 PolarHBondContact O-N 2.91Å; A19-F24 VanDerWaalsContact O-O 3.1Å; A19-C26 WeakPolarHBondContact CB-SG 3.4Å; A19-V45 HydrophobicContact CB-CG1 3.84Å
20R90.3Very high92.2Very high217 Ų21758.6 Ų58.682%0.81931%0.307SS*.Hα-helixtrans-57.6-43.1179.4-178-178.6176.5-169.5-0.7112.1K16 I17 F18 N22 G23K16-R20 VanDerWaalsContact O-CB 3.29Å; K16-R20 WeakPolarHBondContact O-CB 3.28Å; K16-R20 PolarHBondContact O-N 3.2Å; I17-R20 PolarHBondContact O-N 3.18Å; F18-R20 PolarHBondContact O-N 2.98Å; R20-N22 VanDerWaalsContact C-N 3.3Å; R20-N22 PolarHBondContact O-N 2.96Å; R20-G23 PolarHBondContact O-N 2.61Å
21R86.4Confident92.7Very high103 Ų10361.8 Ų61.839%0.38932%0.319SS..Hα-helixtrans-68.1-30.4-179.8-72.7-176.2-177.1158.54113.2I17 F18 A19 W81 L83 D86I17-R21 WeakPolarHBondContact O-CG 3.49Å; I17-R21 PolarHBondContact O-N 2.95Å; I17-R21 VanDerWaalsContact O-N 3.11Å; F18-R21 PolarHBondContact O-N 2.75Å; A19-R21 VanDerWaalsContact C-N 3.31Å; A19-R21 PolarHBondContact O-N 3.41Å; R21-W81 PolarHBondContact NH1-O 3.28Å; R21-L83 VanDerWaalsContact NH2-CD1 3.3Å; R21-D86 IonicContact CZ-OD2 3.12Å; R21-D86 IonicContact NH1-OD2 2.61Å; R21-D86 PolarHBondContact NH1-OD2 2.84Å; R21-D86 IonicContact NH2-OD2 2.77Å; R21-D86 PolarHBondContact NH2-OD2 2.8Å
22N88.1Confident93Very high43 Ų4365.6 Ų65.623%0.2334%0.335CS..THydrogen-bonded Turntrans-95.311.2-179.9-70.8-84.8000113.1F18 A19 R20 F24 N80F18-N22 WeakPolarHBondContact CE2-ND2 3.48Å; F18-N22 PolarHBondContact O-N 2.86Å; F18-N22 VanDerWaalsContact O-N 3.16Å; F18-N22 PolarHBondContact O-ND2 3.21Å; A19-N22 CarbonylContact O-C 3.46Å; A19-N22 PolarHBondContact O-N 2.95Å; A19-N22 VanDerWaalsContact O-N 3.13Å; R20-N22 VanDerWaalsContact C-N 3.3Å; R20-N22 PolarHBondContact O-N 2.96Å; N22-F24 HydrophobicContact CB-CD2 3.51Å; N22-F24 HydrophobicContact CB-CE2 3.57Å; N22-F24 HydrophobicContact CB-CG 4.43Å; N22-F24 PolarHBondContact O-N 3.23Å; N22-N80 PolarHBondContact ND2-O 2.8Å; N22-N80 PolarHBondContact OD1-O 3.1Å
23G90.8Very high93.2Very high73 Ų7367.4 Ų67.475%0.75334%0.343SS*.THydrogen-bonded Turntrans70.118.2-179.900000114.2A19 R20A19-G23 PolarHBondContact O-N 2.84Å; A19-G23 VanDerWaalsContact O-N 3.14Å; R20-G23 PolarHBondContact O-N 2.61Å
24F92.5Very high93.4Very high96 Ų9672.2 Ų72.242%0.42136%0.364SS..  trans-100.5157.2178.2-56.8-48.2000112.2F18 A19 N22 V45F18-F24 HydrophobicContact CE1-CD2 4.41Å; A19-F24 CarbonylContact C-O 3.52Å; A19-F24 VanDerWaalsContact C-O 3.23Å; A19-F24 HydrophobicContact CB-CB 4.08Å; A19-F24 WeakPolarHBondContact CB-O 3.42Å; A19-F24 PolarHBondContact O-N 2.91Å; A19-F24 VanDerWaalsContact O-O 3.1Å; N22-F24 HydrophobicContact CB-CD2 3.51Å; N22-F24 HydrophobicContact CB-CE2 3.57Å; N22-F24 HydrophobicContact CB-CG 4.43Å; N22-F24 PolarHBondContact O-N 3.23Å; F24-V45 HydrophobicContact CB-CG1 3.85Å; F24-V45 HydrophobicContact CD2-CG1 4.11Å; F24-V45 HydrophobicContact CG-CG1 4.29Å
25A93.8Very high93.8Very high63 Ų6380.9 Ų80.952%0.52141%0.405SS..  trans-99.9151.8166.500000110.9L27A25-L27 HydrophobicContact CB-CG 4.47Å
26C94.7Very high93.9Very high35 Ų3589.9 Ų89.924%0.23644%0.438CS..EExtended strand (participates in β ladder)trans-96.5109.4168.4-60.20000109.7K16 A19 L43K16-C26 HydrophobicContact CG-CB 4.47Å; A19-C26 WeakPolarHBondContact CB-SG 3.4Å; C26-L43 HydrophobicContact CB-CD1 4.29Å
27L97Very high94.1Very high105 Ų10590.4 Ų90.455%0.5545%0.446SS..EExtended strand (participates in β ladder)trans-109.8124.6179-59.4175000109.7A25 L43 K44A25-L27 HydrophobicContact CB-CG 4.47Å; L27-L43 WeakPolarHBondContact O-CA 3.3Å; L27-K44 HydrophobicContact CB-CB 4.29Å; L27-K44 PolarHBondContact N-O 3.13Å; L27-K44 PolarHBondContact O-N 2.93Å
28Y97.6Very high94.5Very high56 Ų5693.6 Ų93.622%0.2246%0.455CS..EExtended strand (participates in β ladder)trans-107.3121.4173.6-76.5-85.6000110.1A41 S42 L43 K61 A64Y28-A41 HydrophobicContact CD1-CB 4.44Å; Y28-S42 WeakPolarHBondContact CA-O 3.32Å; Y28-L43 HydrophobicContact CD1-CB 4.1Å; Y28-L43 HydrophobicContact CD1-CD1 4.31Å; Y28-L43 HydrophobicContact CD2-CD1 4.21Å; Y28-L43 HydrophobicContact CE1-CB 3.79Å; Y28-L43 HydrophobicContact CE1-CD1 3.96Å; Y28-L43 HydrophobicContact CE1-CD2 4.4Å; Y28-L43 HydrophobicContact CE1-CG 4.25Å; Y28-L43 HydrophobicContact CE2-CD1 3.83Å; Y28-L43 HydrophobicContact CG-CD1 4.45Å; Y28-K61 HydrophobicContact CD1-CB 4.19Å; Y28-K61 HydrophobicContact CD1-CD 4.17Å; Y28-K61 HydrophobicContact CD1-CG 3.67Å; Y28-K61 HydrophobicContact CD2-CD 4.47Å; Y28-K61 HydrophobicContact CE1-CB 3.76Å; Y28-K61 HydrophobicContact CE1-CD 4.4Å; Y28-K61 HydrophobicContact CE1-CG 3.79Å; Y28-K61 HydrophobicContact CG-CD 4.18Å; Y28-K61 HydrophobicContact CG-CG 4.18Å; Y28-K61 PolarHBondContact OH-O 3.12Å; Y28-A64 HydrophobicContact CE1-CB 4.19Å
29N98Very high95Very high88 Ų8895 Ų9547%0.47146%0.461SS..EExtended strand (participates in β ladder)trans-96.3127.1160-178.141.2000108.5A41 S42N29-A41 CarbonylContact O-C 3.23Å; N29-A41 WeakPolarHBondContact O-CA 3.39Å; N29-S42 PolarHBondContact N-O 3.11Å; N29-S42 PolarHBondContact O-N 3.38Å
30V98.1Very high95.3Very high45 Ų4596.6 Ų96.627%0.27347%0.472SS..EExtended strand (participates in β ladder)trans-124.4128.3-178.3-176.50000109.4F39 S40 A41 K57 K61V30-F39 HydrophobicContact CG1-CD1 4.38Å; V30-S40 CarbonylContact C-O 3.54Å; V30-S40 VanDerWaalsContact CA-O 3.3Å; V30-S40 WeakPolarHBondContact CA-O 3.41Å; V30-A41 HydrophobicContact CG2-CB 4.07Å; V30-K57 HydrophobicContact CG1-CB 4.43Å; V30-K57 HydrophobicContact CG1-CD 4.38Å; V30-K57 HydrophobicContact CG1-CG 4Å; V30-K61 HydrophobicContact CG2-CG 4.29Å
31Q98Very high95.7Very high113 Ų11386.2 Ų86.253%0.52843%0.433SS..EExtended strand (participates in β ladder)trans-124.2155.4178.1-63.7173.8-25.700109.6F39 S40Q31-F39 CarbonylContact O-C 3.57Å; Q31-F39 VanDerWaalsContact O-CA 3.29Å; Q31-F39 WeakPolarHBondContact O-CA 3.39Å; Q31-S40 PolarHBondContact N-O 3.25Å; Q31-S40 PolarHBondContact O-N 3.27Å
32F98.3Very high96.2Very high91 Ų9183.2 Ų83.240%0.39943%0.428SS..EExtended strand (participates in β ladder)trans-118.7120.7173.7-179.8-115.9000108.9Q34 L37 R38 F39F32-Q34 HydrophobicContact CD1-CG 3.82Å; F32-Q34 HydrophobicContact CE1-CB 4.39Å; F32-Q34 HydrophobicContact CE1-CG 3.78Å; F32-L37 HydrophobicContact CZ-CD2 4.1Å; F32-R38 WeakPolarHBondContact CD2-O 3.44Å; F32-F39 HydrophobicContact CB-CD1 3.87Å; F32-F39 HydrophobicContact CB-CE1 3.74Å; F32-F39 HydrophobicContact CB-CZ 4.45Å; F32-F39 AromaticContact CD2-CD1 3.71Å; F32-F39 HydrophobicContact CD2-CD1 3.71Å; F32-F39 AromaticContact CD2-CD2 3.74Å; F32-F39 HydrophobicContact CD2-CD2 3.74Å; F32-F39 AromaticContact CD2-CE1 3.53Å; F32-F39 HydrophobicContact CD2-CE1 3.53Å; F32-F39 AromaticContact CD2-CE2 3.56Å; F32-F39 HydrophobicContact CD2-CE2 3.56Å; F32-F39 AromaticContact CD2-CG 3.83Å; F32-F39 HydrophobicContact CD2-CG 3.83Å; F32-F39 AromaticContact CD2-CZ 3.46Å; F32-F39 HydrophobicContact CD2-CZ 3.46Å; F32-F39 VanDerWaalsContact CD2-CZ 3.46Å; F32-F39 HydrophobicContact CE2-CD2 4.06Å; F32-F39 HydrophobicContact CE2-CE1 4.4Å; F32-F39 AromaticContact CE2-CE2 3.68Å; F32-F39 HydrophobicContact CE2-CE2 3.68Å; F32-F39 AromaticContact CE2-CZ 3.88Å; F32-F39 HydrophobicContact CE2-CZ 3.88Å; F32-F39 HydrophobicContact CG-CD1 4.19Å; F32-F39 AromaticContact CG-CE1 3.84Å; F32-F39 HydrophobicContact CG-CE1 3.84Å; F32-F39 HydrophobicContact CG-CZ 4.06Å
33D97Very high96.7Very high55 Ų5581.2 Ų81.229%0.29442%0.417SS..EExtended strand (participates in β ladder)trans-86.4107171.3-176.1-29000108.3Q35 R36 L37 R38D33-Q35 VanDerWaalsContact C-N 3.33Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.42Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.27Å; D33-Q35 PolarHBondContact OD1-N 3.02Å; D33-R36 HydrophobicContact CB-CB 4.21Å; D33-R36 PolarHBondContact OD1-N 3.49Å; D33-R36 VanDerWaalsContact OD2-CD 3.23Å; D33-R36 WeakPolarHBondContact OD2-CD 3.38Å; D33-R36 VanDerWaalsContact OD2-CG 3.32Å; D33-R36 WeakPolarHBondContact OD2-CG 3.41Å; D33-R36 IonicContact OD2-NE 3.88Å; D33-L37 VanDerWaalsContact O-CA 3.29Å; D33-L37 WeakPolarHBondContact O-CA 3.36Å; D33-L37 PolarHBondContact O-N 2.99Å; D33-R38 PolarHBondContact N-O 3.49Å; D33-R38 PolarHBondContact O-N 2.81Å
34Q96.5Very high97Very high157 Ų15782.1 Ų82.173%0.73440%0.4SS*.THydrogen-bonded Turntrans-67.3-31.8179.2-72.4-176.2-22.900112.9F32 L37F32-Q34 HydrophobicContact CD1-CG 3.82Å; F32-Q34 HydrophobicContact CE1-CB 4.39Å; F32-Q34 HydrophobicContact CE1-CG 3.78Å; Q34-L37 WeakPolarHBondContact O-CD2 3.4Å
35Q96.9Very high97.1Very high190 Ų19077.8 Ų77.889%0.88838%0.381SS*.THydrogen-bonded Turntrans-73.6-38.5-179-65.1-176-9.800111D33D33-Q35 VanDerWaalsContact C-N 3.33Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.42Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.27Å; D33-Q35 PolarHBondContact OD1-N 3.02Å
36R95.8Very high97Very high189 Ų18975.7 Ų75.771%0.71337%0.366SS*.THydrogen-bonded Turntrans-90.5-10.5179.1-62.5-174.9175176.3-4.2113.5D33 R38D33-R36 HydrophobicContact CB-CB 4.21Å; D33-R36 PolarHBondContact OD1-N 3.49Å; D33-R36 VanDerWaalsContact OD2-CD 3.23Å; D33-R36 WeakPolarHBondContact OD2-CD 3.38Å; D33-R36 VanDerWaalsContact OD2-CG 3.32Å; D33-R36 WeakPolarHBondContact OD2-CG 3.41Å; D33-R36 IonicContact OD2-NE 3.88Å; R36-R38 HydrophobicContact CB-CB 4.31Å; R36-R38 HydrophobicContact CB-CG 4.17Å; R36-R38 WeakPolarHBondContact O-CG 3.34Å; R36-R38 PolarHBondContact O-N 3.44Å
37L96.7Very high96.9Very high120 Ų12081.8 Ų81.863%0.62840%0.397SS*.THydrogen-bonded Turntrans52.440-171.1-58.4174.1000112.2F32 D33 Q34F32-L37 HydrophobicContact CZ-CD2 4.1Å; D33-L37 VanDerWaalsContact O-CA 3.29Å; D33-L37 WeakPolarHBondContact O-CA 3.36Å; D33-L37 PolarHBondContact O-N 2.99Å; Q34-L37 WeakPolarHBondContact O-CD2 3.4Å
38R98.1Very high96.6Very high112 Ų11282 Ų8242%0.42339%0.39SS..EExtended strand (participates in β ladder)trans-123.8142.9-177.7-68.2-67.1-178.2154.84.4110.8F32 D33 R36 I53 N55F32-R38 WeakPolarHBondContact CD2-O 3.44Å; D33-R38 PolarHBondContact N-O 3.49Å; D33-R38 PolarHBondContact O-N 2.81Å; R36-R38 HydrophobicContact CB-CB 4.31Å; R36-R38 HydrophobicContact CB-CG 4.17Å; R36-R38 WeakPolarHBondContact O-CG 3.34Å; R36-R38 PolarHBondContact O-N 3.44Å; R38-I53 HydrophobicContact CB-CG2 3.97Å; R38-I53 HydrophobicContact CG-CG2 4.31Å; R38-N55 WeakPolarHBondContact CD-OD1 3.49Å; R38-N55 PolarHBondContact NE-OD1 3.35Å; R38-N55 VanDerWaalsContact NE-OD1 3.08Å; R38-N55 PolarHBondContact NH1-OD1 3.32Å
39F98.4Very high96.5Very high43 Ų4384.3 Ų84.319%0.18941%0.405CS..EExtended strand (participates in β ladder)trans-90.4133.3165.9-67-89.8000109.5V30 Q31 F32 I53 A54 S56 K57 A60V30-F39 HydrophobicContact CG1-CD1 4.38Å; Q31-F39 CarbonylContact O-C 3.57Å; Q31-F39 VanDerWaalsContact O-CA 3.29Å; Q31-F39 WeakPolarHBondContact O-CA 3.39Å; F32-F39 HydrophobicContact CB-CD1 3.87Å; F32-F39 HydrophobicContact CB-CE1 3.74Å; F32-F39 HydrophobicContact CB-CZ 4.45Å; F32-F39 AromaticContact CD2-CD1 3.71Å; F32-F39 HydrophobicContact CD2-CD1 3.71Å; F32-F39 AromaticContact CD2-CD2 3.74Å; F32-F39 HydrophobicContact CD2-CD2 3.74Å; F32-F39 AromaticContact CD2-CE1 3.53Å; F32-F39 HydrophobicContact CD2-CE1 3.53Å; F32-F39 AromaticContact CD2-CE2 3.56Å; F32-F39 HydrophobicContact CD2-CE2 3.56Å; F32-F39 AromaticContact CD2-CG 3.83Å; F32-F39 HydrophobicContact CD2-CG 3.83Å; F32-F39 AromaticContact CD2-CZ 3.46Å; F32-F39 HydrophobicContact CD2-CZ 3.46Å; F32-F39 VanDerWaalsContact CD2-CZ 3.46Å; F32-F39 HydrophobicContact CE2-CD2 4.06Å; F32-F39 HydrophobicContact CE2-CE1 4.4Å; F32-F39 AromaticContact CE2-CE2 3.68Å; F32-F39 HydrophobicContact CE2-CE2 3.68Å; F32-F39 AromaticContact CE2-CZ 3.88Å; F32-F39 HydrophobicContact CE2-CZ 3.88Å; F32-F39 HydrophobicContact CG-CD1 4.19Å; F32-F39 AromaticContact CG-CE1 3.84Å; F32-F39 HydrophobicContact CG-CE1 3.84Å; F32-F39 HydrophobicContact CG-CZ 4.06Å; F39-I53 CarbonylContact O-C 3.52Å; F39-I53 VanDerWaalsContact O-CA 3.29Å; F39-I53 WeakPolarHBondContact O-CA 3.38Å; F39-A54 PolarHBondContact N-O 3.33Å; F39-A54 PolarHBondContact O-N 3.13Å; F39-S56 VanDerWaalsContact CD2-CA 3.42Å; F39-K57 HydrophobicContact CD1-CB 4.41Å; F39-K57 HydrophobicContact CD1-CD 4.26Å; F39-K57 HydrophobicContact CD1-CG 3.31Å; F39-K57 HydrophobicContact CE1-CD 3.98Å; F39-K57 HydrophobicContact CE1-CG 3.35Å; F39-K57 HydrophobicContact CG-CG 4.02Å; F39-K57 HydrophobicContact CZ-CG 4.09Å; F39-A60 HydrophobicContact CB-CB 3.98Å
40S98.2Very high96.4Very high34 Ų3481.6 Ų81.624%0.23839%0.39CS..EExtended strand (participates in β ladder)trans-106.2136.1165.358.30000109.1V30 Q31 G52V30-S40 CarbonylContact C-O 3.54Å; V30-S40 VanDerWaalsContact CA-O 3.3Å; V30-S40 WeakPolarHBondContact CA-O 3.41Å; Q31-S40 PolarHBondContact N-O 3.25Å; Q31-S40 PolarHBondContact O-N 3.27Å; S40-G52 CarbonylContact C-O 3.56Å; S40-G52 WeakPolarHBondContact CA-O 3.44Å
41A98.4Very high96.4Very high0 Ų083.2 Ų83.20%040%0.402CS..EExtended strand (participates in β ladder)trans-122.3124.7171.700000108.3Y28 N29 V30 P51 G52 A60 K61 A64Y28-A41 HydrophobicContact CD1-CB 4.44Å; N29-A41 CarbonylContact O-C 3.23Å; N29-A41 WeakPolarHBondContact O-CA 3.39Å; V30-A41 HydrophobicContact CG2-CB 4.07Å; A41-P51 CarbonylContact O-C 3.59Å; A41-P51 WeakPolarHBondContact O-CA 3.47Å; A41-G52 PolarHBondContact N-O 3.45Å; A41-G52 PolarHBondContact O-N 2.8Å; A41-A60 HydrophobicContact CB-CB 3.88Å; A41-K61 HydrophobicContact CB-CG 4.21Å; A41-A64 HydrophobicContact CB-CB 4.27Å
42S98Very high96.4Very high40 Ų4078 Ų7828%0.2838%0.379SS..EExtended strand (participates in β ladder)trans-101115.2169.2-54.30000108Y28 N29Y28-S42 WeakPolarHBondContact CA-O 3.32Å; N29-S42 PolarHBondContact N-O 3.11Å; N29-S42 PolarHBondContact O-N 3.38Å
43L98.3Very high96.4Very high0 Ų078.9 Ų78.90%039%0.386CS..EExtended strand (participates in β ladder)trans-92.7119173.6169.159.5000109.1V15 C26 L27 Y28 V45 I49 L50 A64 A65 F68V15-L43 HydrophobicContact CG1-CD1 4.36Å; V15-L43 HydrophobicContact CG1-CD2 3.8Å; V15-L43 HydrophobicContact CG2-CD2 4.24Å; C26-L43 HydrophobicContact CB-CD1 4.29Å; L27-L43 WeakPolarHBondContact O-CA 3.3Å; Y28-L43 HydrophobicContact CD1-CB 4.1Å; Y28-L43 HydrophobicContact CD1-CD1 4.31Å; Y28-L43 HydrophobicContact CD2-CD1 4.21Å; Y28-L43 HydrophobicContact CE1-CB 3.79Å; Y28-L43 HydrophobicContact CE1-CD1 3.96Å; Y28-L43 HydrophobicContact CE1-CD2 4.4Å; Y28-L43 HydrophobicContact CE1-CG 4.25Å; Y28-L43 HydrophobicContact CE2-CD1 3.83Å; Y28-L43 HydrophobicContact CG-CD1 4.45Å; L43-V45 HydrophobicContact CD1-CG2 3.87Å; L43-V45 HydrophobicContact CD2-CG2 4.49Å; L43-V45 HydrophobicContact CG-CG2 4.1Å; L43-I49 CarbonylContact O-C 3.55Å; L43-I49 VanDerWaalsContact O-CA 3.27Å; L43-I49 WeakPolarHBondContact O-CA 3.47Å; L43-L50 PolarHBondContact N-O 3.24Å; L43-L50 PolarHBondContact O-N 3.43Å; L43-A64 HydrophobicContact CB-CB 3.83Å; L43-A65 HydrophobicContact CD2-CB 4.35Å; L43-F68 HydrophobicContact CD2-CB 3.75Å; L43-F68 HydrophobicContact CD2-CG 4.17Å
44K97.2Very high96.4Very high93 Ų9376.7 Ų76.740%0.40438%0.376SS..EExtended strand (participates in β ladder)trans-103.7128.2170.6-178175.2-177.3179.70110.8L27 G46 R48 I49L27-K44 HydrophobicContact CB-CB 4.29Å; L27-K44 PolarHBondContact N-O 3.13Å; L27-K44 PolarHBondContact O-N 2.93Å; K44-G46 WeakPolarHBondContact CE-O 3.35Å; K44-R48 CarbonylContact C-O 3.53Å; K44-R48 VanDerWaalsContact CA-O 3.28Å; K44-R48 WeakPolarHBondContact CA-O 3.29Å; K44-I49 HydrophobicContact CB-CG1 3.99Å; K44-I49 HydrophobicContact CD-CD1 4.23Å; K44-I49 HydrophobicContact CD-CG1 4.19Å; K44-I49 HydrophobicContact CG-CD1 4.46Å; K44-I49 HydrophobicContact CG-CG1 3.88Å
45V94.3Very high96.4Very high4 Ų474.4 Ų74.42%0.02437%0.368CS..EExtended strand (participates in β ladder)trans-137.4115.6170.6-177.10000108.2V15 F18 A19 F24 L43 D47 R48 F68V15-V45 HydrophobicContact CG1-CG2 3.7Å; F18-V45 HydrophobicContact CD1-CG1 4.2Å; F18-V45 HydrophobicContact CE1-CG1 4.11Å; A19-V45 HydrophobicContact CB-CG1 3.84Å; F24-V45 HydrophobicContact CB-CG1 3.85Å; F24-V45 HydrophobicContact CD2-CG1 4.11Å; F24-V45 HydrophobicContact CG-CG1 4.29Å; L43-V45 HydrophobicContact CD1-CG2 3.87Å; L43-V45 HydrophobicContact CD2-CG2 4.49Å; L43-V45 HydrophobicContact CG-CG2 4.1Å; V45-D47 PolarHBondContact O-N 3.31Å; V45-R48 PolarHBondContact N-O 3.17Å; V45-R48 PolarHBondContact O-N 3.45Å; V45-R48 VanDerWaalsContact O-N 3.09Å; V45-F68 HydrophobicContact CB-CD2 4.36Å; V45-F68 HydrophobicContact CB-CE1 4.35Å; V45-F68 HydrophobicContact CB-CE2 3.57Å; V45-F68 HydrophobicContact CB-CZ 3.55Å; V45-F68 HydrophobicContact CG1-CE1 4.37Å; V45-F68 HydrophobicContact CG1-CE2 4.22Å; V45-F68 HydrophobicContact CG1-CZ 3.69Å; V45-F68 HydrophobicContact CG2-CD2 4.32Å; V45-F68 HydrophobicContact CG2-CE1 4.27Å; V45-F68 HydrophobicContact CG2-CE2 3.95Å; V45-F68 HydrophobicContact CG2-CZ 3.92Å
46G91.8Very high96.4Very high19 Ų1967.3 Ų67.320%0.19634%0.34CS..THydrogen-bonded Turntrans57.7-128.8-168.100000110.8K44 R48K44-G46 WeakPolarHBondContact CE-O 3.35Å; G46-R48 VanDerWaalsContact C-N 3.34Å
47D91.3Very high96.5Very high164 Ų16464.6 Ų64.688%0.87733%0.334SS*.THydrogen-bonded Turntrans-86.9-2.4177.3-61.1-39.9000113.8V45V45-D47 PolarHBondContact O-N 3.31Å
48R91.8Very high96.5Very high109 Ų10967.9 Ų67.941%0.41134%0.337SS..EExtended strand (participates in β ladder)trans-95.6130.2-174.3-57.5-172.7-175.2-73.73110.5K44 V45 G46 L50 F68 F71K44-R48 CarbonylContact C-O 3.53Å; K44-R48 VanDerWaalsContact CA-O 3.28Å; K44-R48 WeakPolarHBondContact CA-O 3.29Å; V45-R48 PolarHBondContact N-O 3.17Å; V45-R48 PolarHBondContact O-N 3.45Å; V45-R48 VanDerWaalsContact O-N 3.09Å; G46-R48 VanDerWaalsContact C-N 3.34Å; R48-L50 HydrophobicContact CB-CD2 3.89Å; R48-F68 HydrophobicContact CB-CE2 4.03Å; R48-F71 VanDerWaalsContact CZ-CZ 3.47Å; R48-F71 VanDerWaalsContact NE-CE1 3.33Å; R48-F71 VanDerWaalsContact NH1-CE1 3.28Å
49I95.9Very high96.4Very high105 Ų10564.9 Ų64.954%0.53833%0.332SS..EExtended strand (participates in β ladder)trans-122.8117.9175.6-54.8178.5000108.9L43 K44L43-I49 CarbonylContact O-C 3.55Å; L43-I49 VanDerWaalsContact O-CA 3.27Å; L43-I49 WeakPolarHBondContact O-CA 3.47Å; K44-I49 HydrophobicContact CB-CG1 3.99Å; K44-I49 HydrophobicContact CD-CD1 4.23Å; K44-I49 HydrophobicContact CD-CG1 4.19Å; K44-I49 HydrophobicContact CG-CD1 4.46Å; K44-I49 HydrophobicContact CG-CG1 3.88Å
50L96.2Very high96.4Very high30 Ų3062.9 Ų62.916%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-120.5133.2-177-75.4-64.2000110.1L43 R48 F68 F71L43-L50 PolarHBondContact N-O 3.24Å; L43-L50 PolarHBondContact O-N 3.43Å; R48-L50 HydrophobicContact CB-CD2 3.89Å; L50-F68 HydrophobicContact CB-CB 4.31Å; L50-F68 HydrophobicContact CD2-CD2 3.77Å; L50-F68 HydrophobicContact CD2-CE2 4.48Å; L50-F68 HydrophobicContact CG-CB 4.25Å; L50-F68 HydrophobicContact CG-CD2 4.19Å; L50-F71 HydrophobicContact CD1-CB 4.33Å
51P97.5Very high96.4Very high80 Ų8065.1 Ų65.152%0.51933%0.328SS..EExtended strand (participates in β ladder)trans-88158-178.235.4-34.9000112.4A41 A64 S67A41-P51 CarbonylContact O-C 3.59Å; A41-P51 WeakPolarHBondContact O-CA 3.47Å; P51-A64 WeakPolarHBondContact O-CA 3.47Å; P51-S67 PolarHBondContact O-OG 3.15Å
52G97.8Very high96.3Very high4 Ų467.6 Ų67.64%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-143.6138.1163.500000109.7S40 A41S40-G52 CarbonylContact C-O 3.56Å; S40-G52 WeakPolarHBondContact CA-O 3.44Å; A41-G52 PolarHBondContact N-O 3.45Å; A41-G52 PolarHBondContact O-N 2.8Å
53I97.6Very high96.3Very high108 Ų10869.6 Ų69.655%0.55435%0.345SS*.EExtended strand (participates in β ladder)trans-128.8127.1-178.3-58175.1000108.7R38 F39R38-I53 HydrophobicContact CB-CG2 3.97Å; R38-I53 HydrophobicContact CG-CG2 4.31Å; F39-I53 CarbonylContact O-C 3.52Å; F39-I53 VanDerWaalsContact O-CA 3.29Å; F39-I53 WeakPolarHBondContact O-CA 3.38Å
54A97.9Very high96.3Very high9 Ų969.6 Ų69.67%0.07435%0.345CS..EExtended strand (participates in β ladder)trans-156.4178-179.100000113.2F39 S56 T59 A60F39-A54 PolarHBondContact N-O 3.33Å; F39-A54 PolarHBondContact O-N 3.13Å; A54-S56 VanDerWaalsContact C-N 3.26Å; A54-S56 PolarHBondContact O-N 3.03Å; A54-T59 WeakPolarHBondContact CB-OG1 3.5Å; A54-A60 HydrophobicContact CB-CB 4.05Å
55N96.3Very high96.2Very high109 Ų10965.1 Ų65.158%0.58333%0.326SS*.SBendtrans-79.2-4.1179.7-66.7-17000114.1R38R38-N55 WeakPolarHBondContact CD-OD1 3.49Å; R38-N55 PolarHBondContact NE-OD1 3.35Å; R38-N55 VanDerWaalsContact NE-OD1 3.08Å; R38-N55 PolarHBondContact NH1-OD1 3.32Å
56S97.4Very high96.2Very high42 Ų4266.2 Ų66.229%0.29433%0.331SS..SBendtrans-145.2156.4177.582.40000110.9F39 A54 R58 T59 A60F39-S56 VanDerWaalsContact CD2-CA 3.42Å; A54-S56 VanDerWaalsContact C-N 3.26Å; A54-S56 PolarHBondContact O-N 3.03Å; S56-R58 VanDerWaalsContact C-N 3.25Å; S56-R58 PolarHBondContact O-N 3.15Å; S56-R58 PolarHBondContact OG-N 3.08Å; S56-T59 PolarHBondContact N-OG1 3.11Å; S56-T59 PolarHBondContact O-N 3.49Å; S56-T59 PolarHBondContact O-OG1 3.13Å; S56-T59 PolarHBondContact OG-N 3.19Å; S56-T59 VanDerWaalsContact OG-N 3.09Å; S56-T59 PolarHBondContact OG-OG1 2.87Å; S56-A60 WeakPolarHBondContact O-CB 3.5Å; S56-A60 PolarHBondContact O-N 3.28Å
57K96.9Very high96.3Very high132 Ų13267 Ų6757%0.57433%0.333SS*.Hα-helixtrans-56.6-39.6173.8-65.6-173-72.4-171.50112.4V30 F39 K61V30-K57 HydrophobicContact CG1-CB 4.43Å; V30-K57 HydrophobicContact CG1-CD 4.38Å; V30-K57 HydrophobicContact CG1-CG 4Å; F39-K57 HydrophobicContact CD1-CB 4.41Å; F39-K57 HydrophobicContact CD1-CD 4.26Å; F39-K57 HydrophobicContact CD1-CG 3.31Å; F39-K57 HydrophobicContact CE1-CD 3.98Å; F39-K57 HydrophobicContact CE1-CG 3.35Å; F39-K57 HydrophobicContact CG-CG 4.02Å; F39-K57 HydrophobicContact CZ-CG 4.09Å; K57-K61 WeakPolarHBondContact O-CG 3.31Å; K57-K61 PolarHBondContact O-N 3.22Å; K57-K61 VanDerWaalsContact O-N 3.17Å
58R97.2Very high96.3Very high188 Ų18859.2 Ų59.271%0.70929%0.292SS*.Hα-helixtrans-66.3-50.4-177.8-178.4-180177.5179.90.2110.7S56 K61 Q62S56-R58 VanDerWaalsContact C-N 3.25Å; S56-R58 PolarHBondContact O-N 3.15Å; S56-R58 PolarHBondContact OG-N 3.08Å; R58-K61 PolarHBondContact O-N 3.12Å; R58-Q62 PolarHBondContact O-N 2.89Å; R58-Q62 VanDerWaalsContact O-N 3.12Å
59T97Very high96.2Very high50 Ų5054.1 Ų54.131%0.30727%0.273SS..Hα-helixtrans-68-36.7-179.750.20000111.6A54 S56 K61 Q62 E63A54-T59 WeakPolarHBondContact CB-OG1 3.5Å; S56-T59 PolarHBondContact N-OG1 3.11Å; S56-T59 PolarHBondContact O-N 3.49Å; S56-T59 PolarHBondContact O-OG1 3.13Å; S56-T59 PolarHBondContact OG-N 3.19Å; S56-T59 VanDerWaalsContact OG-N 3.09Å; S56-T59 PolarHBondContact OG-OG1 2.87Å; T59-K61 VanDerWaalsContact C-N 3.31Å; T59-K61 PolarHBondContact O-N 3.47Å; T59-Q62 WeakPolarHBondContact O-CB 3.4Å; T59-Q62 PolarHBondContact O-N 3.23Å; T59-Q62 VanDerWaalsContact O-N 3.1Å; T59-E63 WeakPolarHBondContact O-CG 3.34Å; T59-E63 PolarHBondContact O-N 2.99Å
60A98Very high95.9Very high0 Ų054.3 Ų54.30%027%0.267CS..Hα-helixtrans-62.1-38.6175.700000112F39 A41 A54 S56 E63 A64F39-A60 HydrophobicContact CB-CB 3.98Å; A41-A60 HydrophobicContact CB-CB 3.88Å; A54-A60 HydrophobicContact CB-CB 4.05Å; S56-A60 WeakPolarHBondContact O-CB 3.5Å; S56-A60 PolarHBondContact O-N 3.28Å; A60-E63 PolarHBondContact O-N 2.77Å; A60-A64 WeakPolarHBondContact O-CB 3.29Å; A60-A64 PolarHBondContact O-N 3.36Å
61K97.9Very high95.5Very high81 Ų8156.4 Ų56.435%0.35228%0.275SS..Hα-helixtrans-67.2-36173.7-72.8-173.8176.4-171.20113.2Y28 V30 A41 K57 R58 T59 A65Y28-K61 HydrophobicContact CD1-CB 4.19Å; Y28-K61 HydrophobicContact CD1-CD 4.17Å; Y28-K61 HydrophobicContact CD1-CG 3.67Å; Y28-K61 HydrophobicContact CD2-CD 4.47Å; Y28-K61 HydrophobicContact CE1-CB 3.76Å; Y28-K61 HydrophobicContact CE1-CD 4.4Å; Y28-K61 HydrophobicContact CE1-CG 3.79Å; Y28-K61 HydrophobicContact CG-CD 4.18Å; Y28-K61 HydrophobicContact CG-CG 4.18Å; Y28-K61 PolarHBondContact OH-O 3.12Å; V30-K61 HydrophobicContact CG2-CG 4.29Å; A41-K61 HydrophobicContact CB-CG 4.21Å; K57-K61 WeakPolarHBondContact O-CG 3.31Å; K57-K61 PolarHBondContact O-N 3.22Å; K57-K61 VanDerWaalsContact O-N 3.17Å; R58-K61 PolarHBondContact O-N 3.12Å; T59-K61 VanDerWaalsContact C-N 3.31Å; T59-K61 PolarHBondContact O-N 3.47Å; K61-A65 WeakPolarHBondContact O-CB 3.23Å; K61-A65 PolarHBondContact O-N 2.85Å
62Q96.6Very high94.8Very high53 Ų5353.1 Ų53.125%0.24825%0.253CS..Hα-helixtrans-66-45.8174.9-72.6174.4-4600110.9P12 R58 T59 A64 A65 L66P12-Q62 HydrophobicContact CG-CG 4.27Å; R58-Q62 PolarHBondContact O-N 2.89Å; R58-Q62 VanDerWaalsContact O-N 3.12Å; T59-Q62 WeakPolarHBondContact O-CB 3.4Å; T59-Q62 PolarHBondContact O-N 3.23Å; T59-Q62 VanDerWaalsContact O-N 3.1Å; Q62-A64 PolarHBondContact O-N 3.11Å; Q62-A65 WeakPolarHBondContact O-CB 3.32Å; Q62-A65 PolarHBondContact O-N 2.84Å; Q62-L66 WeakPolarHBondContact O-CG 3.29Å; Q62-L66 PolarHBondContact O-N 3.43Å
63E97.1Very high93.9Very high81 Ų8154.5 Ų54.538%0.37926%0.261SS..Hα-helixtrans-58.5-46.8174.6-71.3-61.2146.500111.6T59 A60 A65 L66 S67T59-E63 WeakPolarHBondContact O-CG 3.34Å; T59-E63 PolarHBondContact O-N 2.99Å; A60-E63 PolarHBondContact O-N 2.77Å; E63-A65 VanDerWaalsContact C-N 3.3Å; E63-A65 PolarHBondContact O-N 2.84Å; E63-L66 PolarHBondContact O-N 3.25Å; E63-S67 WeakPolarHBondContact O-CB 3.42Å; E63-S67 PolarHBondContact O-N 2.9Å; E63-S67 PolarHBondContact O-OG 3.33Å; E63-S67 VanDerWaalsContact O-OG 3.12Å
64A97.9Very high93Very high0 Ų054.1 Ų54.10%027%0.268CS..Hα-helixtrans-62.6-38.4178.300000112.1Y28 A41 L43 P51 A60 Q62 F68Y28-A64 HydrophobicContact CE1-CB 4.19Å; A41-A64 HydrophobicContact CB-CB 4.27Å; L43-A64 HydrophobicContact CB-CB 3.83Å; P51-A64 WeakPolarHBondContact O-CA 3.47Å; A60-A64 WeakPolarHBondContact O-CB 3.29Å; A60-A64 PolarHBondContact O-N 3.36Å; Q62-A64 PolarHBondContact O-N 3.11Å; A64-F68 PolarHBondContact O-N 3.48Å; A64-F68 VanDerWaalsContact O-N 3.12Å
65A95.8Very high91.5Very high0 Ų055.4 Ų55.40%028%0.282CS..Hα-helixtrans-66.2-45174.200000112.2P11 P12 V15 L43 K61 Q62 E63 S67 F68 L69P11-A65 HydrophobicContact CB-CB 3.9Å; P12-A65 HydrophobicContact CB-CB 4.4Å; P12-A65 HydrophobicContact CG-CB 3.92Å; V15-A65 HydrophobicContact CG2-CB 3.81Å; L43-A65 HydrophobicContact CD2-CB 4.35Å; K61-A65 WeakPolarHBondContact O-CB 3.23Å; K61-A65 PolarHBondContact O-N 2.85Å; Q62-A65 WeakPolarHBondContact O-CB 3.32Å; Q62-A65 PolarHBondContact O-N 2.84Å; E63-A65 VanDerWaalsContact C-N 3.3Å; E63-A65 PolarHBondContact O-N 2.84Å; A65-S67 PolarHBondContact O-N 2.81Å; A65-F68 WeakPolarHBondContact O-CB 3.48Å; A65-F68 PolarHBondContact O-N 2.96Å; A65-F68 VanDerWaalsContact O-N 3.11Å; A65-L69 WeakPolarHBondContact O-CG 3.4Å; A65-L69 PolarHBondContact O-N 2.9Å
66L93.7Very high89.6Confident26 Ų2653.7 Ų53.714%0.13629%0.291CS..Hα-helixtrans-60.6-43.8176-75.4169.8000111.5P11 Q62 E63 F68 L69 R70 Y93P11-L66 HydrophobicContact CB-CD2 3.81Å; P11-L66 HydrophobicContact CB-CG 3.85Å; P11-L66 HydrophobicContact CG-CD1 4.45Å; P11-L66 HydrophobicContact CG-CD2 3.59Å; P11-L66 HydrophobicContact CG-CG 3.82Å; Q62-L66 WeakPolarHBondContact O-CG 3.29Å; Q62-L66 PolarHBondContact O-N 3.43Å; E63-L66 PolarHBondContact O-N 3.25Å; L66-F68 PolarHBondContact O-N 3.02Å; L66-L69 PolarHBondContact O-N 2.88Å; L66-R70 VanDerWaalsContact O-CB 3.31Å; L66-R70 WeakPolarHBondContact O-CB 3.48Å; L66-R70 VanDerWaalsContact O-CG 3.29Å; L66-R70 WeakPolarHBondContact O-CG 3.49Å; L66-R70 PolarHBondContact O-N 3.31Å; L66-Y93 HydrophobicContact CD2-CD1 3.98Å; L66-Y93 HydrophobicContact CD2-CG 4.11Å
67S93.8Very high87.2Confident35 Ų3558.2 Ų58.225%0.24532%0.316CS..Hα-helixtrans-56.8-39.5173.5-66.30000111.9P51 E63 A65 F71P51-S67 PolarHBondContact O-OG 3.15Å; E63-S67 WeakPolarHBondContact O-CB 3.42Å; E63-S67 PolarHBondContact O-N 2.9Å; E63-S67 PolarHBondContact O-OG 3.33Å; E63-S67 VanDerWaalsContact O-OG 3.12Å; A65-S67 PolarHBondContact O-N 2.81Å; S67-F71 VanDerWaalsContact O-CB 3.27Å; S67-F71 WeakPolarHBondContact O-CB 3.46Å; S67-F71 PolarHBondContact O-N 2.91Å
68F92.9Very high84.9Confident1 Ų159.7 Ų59.70%0.00433%0.325CS..Hα-helixtrans-69-45.5176.2-175.1-91.9000112.9V15 F18 L43 V45 R48 L50 A64 A65 L66 F71 L72V15-F68 HydrophobicContact CB-CD1 4.48Å; V15-F68 HydrophobicContact CG1-CD1 3.92Å; V15-F68 HydrophobicContact CG1-CE1 4.13Å; V15-F68 HydrophobicContact CG2-CB 4.45Å; V15-F68 HydrophobicContact CG2-CD1 3.87Å; F18-F68 AromaticContact CD1-CE1 3.65Å; F18-F68 HydrophobicContact CD1-CE1 3.65Å; F18-F68 AromaticContact CD1-CZ 3.91Å; F18-F68 HydrophobicContact CD1-CZ 3.91Å; F18-F68 AromaticContact CE1-CE1 3.85Å; F18-F68 HydrophobicContact CE1-CE1 3.85Å; F18-F68 AromaticContact CE1-CZ 3.66Å; F18-F68 HydrophobicContact CE1-CZ 3.66Å; F18-F68 HydrophobicContact CG-CE1 4.4Å; L43-F68 HydrophobicContact CD2-CB 3.75Å; L43-F68 HydrophobicContact CD2-CG 4.17Å; V45-F68 HydrophobicContact CB-CD2 4.36Å; V45-F68 HydrophobicContact CB-CE1 4.35Å; V45-F68 HydrophobicContact CB-CE2 3.57Å; V45-F68 HydrophobicContact CB-CZ 3.55Å; V45-F68 HydrophobicContact CG1-CE1 4.37Å; V45-F68 HydrophobicContact CG1-CE2 4.22Å; V45-F68 HydrophobicContact CG1-CZ 3.69Å; V45-F68 HydrophobicContact CG2-CD2 4.32Å; V45-F68 HydrophobicContact CG2-CE1 4.27Å; V45-F68 HydrophobicContact CG2-CE2 3.95Å; V45-F68 HydrophobicContact CG2-CZ 3.92Å; R48-F68 HydrophobicContact CB-CE2 4.03Å; L50-F68 HydrophobicContact CB-CB 4.31Å; L50-F68 HydrophobicContact CD2-CD2 3.77Å; L50-F68 HydrophobicContact CD2-CE2 4.48Å; L50-F68 HydrophobicContact CG-CB 4.25Å; L50-F68 HydrophobicContact CG-CD2 4.19Å; A64-F68 PolarHBondContact O-N 3.48Å; A64-F68 VanDerWaalsContact O-N 3.12Å; A65-F68 WeakPolarHBondContact O-CB 3.48Å; A65-F68 PolarHBondContact O-N 2.96Å; A65-F68 VanDerWaalsContact O-N 3.11Å; L66-F68 PolarHBondContact O-N 3.02Å; F68-F71 WeakPolarHBondContact O-CB 3.43Å; F68-F71 PolarHBondContact O-N 2.85Å; F68-L72 HydrophobicContact CD1-CD1 3.89Å; F68-L72 HydrophobicContact CD1-CG 4.14Å; F68-L72 HydrophobicContact CE1-CD1 3.39Å; F68-L72 HydrophobicContact CE1-CD2 4.24Å; F68-L72 HydrophobicContact CE1-CG 3.79Å; F68-L72 HydrophobicContact CZ-CD1 4.12Å; F68-L72 HydrophobicContact CZ-CD2 4.16Å; F68-L72 HydrophobicContact CZ-CG 4.18Å; F68-L72 WeakPolarHBondContact O-CG 3.25Å; F68-L72 PolarHBondContact O-N 2.72Å
69L89.6Confident82.9Confident3 Ų351.9 Ų51.92%0.01630%0.3CS..Hα-helixtrans-62.8-44.1176.9-63.9176000111.2P11 H14 V15 A65 L66 F71 L72 C73 W81P11-L69 HydrophobicContact CB-CD1 3.97Å; H14-L69 HydrophobicContact CB-CD1 4Å; H14-L69 HydrophobicContact CB-CD2 4.01Å; V15-L69 HydrophobicContact CG2-CD2 3.84Å; V15-L69 HydrophobicContact CG2-CG 3.93Å; A65-L69 WeakPolarHBondContact O-CG 3.4Å; A65-L69 PolarHBondContact O-N 2.9Å; L66-L69 PolarHBondContact O-N 2.88Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 PolarHBondContact O-N 2.92Å; L69-L72 WeakPolarHBondContact O-CB 3.42Å; L69-L72 PolarHBondContact O-N 3.23Å; L69-L72 VanDerWaalsContact O-N 3.11Å; L69-C73 PolarHBondContact O-N 3.46Å; L69-C73 PolarHBondContact O-SG 2.63Å; L69-W81 HydrophobicContact CD2-CH2 3.95Å; L69-W81 HydrophobicContact CD2-CZ3 3.78Å
70R88.4Confident80.9Confident109 Ų10954.6 Ų54.641%0.41131%0.313SS..Hα-helixtrans-55.4-48.5172.2-77.7167.3178.6177.71.2111.6L66 L72 C73 S74 L94L66-R70 VanDerWaalsContact O-CB 3.31Å; L66-R70 WeakPolarHBondContact O-CB 3.48Å; L66-R70 VanDerWaalsContact O-CG 3.29Å; L66-R70 WeakPolarHBondContact O-CG 3.49Å; L66-R70 PolarHBondContact O-N 3.31Å; R70-L72 VanDerWaalsContact C-N 3.29Å; R70-L72 PolarHBondContact O-N 3.14Å; R70-C73 PolarHBondContact O-N 3.31Å; R70-S74 WeakPolarHBondContact O-CB 3.38Å; R70-S74 PolarHBondContact O-N 2.98Å; R70-S74 PolarHBondContact O-OG 2.74Å; R70-L94 HydrophobicContact CB-CD2 4.12Å; R70-L94 HydrophobicContact CG-CD2 3.34Å
71F87.7Confident79.1Confident74 Ų7456.2 Ų56.233%0.32532%0.319SS..Hα-helixtrans-56.7-44.4176174-84.9000111.8R48 L50 S67 F68 L69 S74 G75R48-F71 VanDerWaalsContact CZ-CZ 3.47Å; R48-F71 VanDerWaalsContact NE-CE1 3.33Å; R48-F71 VanDerWaalsContact NH1-CE1 3.28Å; L50-F71 HydrophobicContact CD1-CB 4.33Å; S67-F71 VanDerWaalsContact O-CB 3.27Å; S67-F71 WeakPolarHBondContact O-CB 3.46Å; S67-F71 PolarHBondContact O-N 2.91Å; F68-F71 WeakPolarHBondContact O-CB 3.43Å; F68-F71 PolarHBondContact O-N 2.85Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 PolarHBondContact O-N 2.92Å; F71-S74 PolarHBondContact O-N 3.29Å; F71-G75 PolarHBondContact O-N 3.26Å
72L84.1Confident77.1Confident11 Ų1154 Ų546%0.05832%0.32CS..Hα-helixtrans-63.3-43.2177.4-71.5-177.4000112.4F18 F68 L69 R70 A79 W81F18-L72 HydrophobicContact CD1-CD1 4.05Å; F18-L72 HydrophobicContact CD2-CD1 3.68Å; F18-L72 HydrophobicContact CE1-CD1 4.12Å; F18-L72 HydrophobicContact CE1-CD2 4.32Å; F18-L72 HydrophobicContact CE2-CD1 3.74Å; F18-L72 HydrophobicContact CE2-CD2 4.07Å; F18-L72 HydrophobicContact CG-CD1 3.84Å; F18-L72 HydrophobicContact CZ-CD1 3.97Å; F18-L72 HydrophobicContact CZ-CD2 3.8Å; F68-L72 HydrophobicContact CD1-CD1 3.89Å; F68-L72 HydrophobicContact CD1-CG 4.14Å; F68-L72 HydrophobicContact CE1-CD1 3.39Å; F68-L72 HydrophobicContact CE1-CD2 4.24Å; F68-L72 HydrophobicContact CE1-CG 3.79Å; F68-L72 HydrophobicContact CZ-CD1 4.12Å; F68-L72 HydrophobicContact CZ-CD2 4.16Å; F68-L72 HydrophobicContact CZ-CG 4.18Å; F68-L72 WeakPolarHBondContact O-CG 3.25Å; F68-L72 PolarHBondContact O-N 2.72Å; L69-L72 WeakPolarHBondContact O-CB 3.42Å; L69-L72 PolarHBondContact O-N 3.23Å; L69-L72 VanDerWaalsContact O-N 3.11Å; R70-L72 VanDerWaalsContact C-N 3.29Å; R70-L72 PolarHBondContact O-N 3.14Å; L72-A79 HydrophobicContact CB-CB 4.02Å; L72-A79 HydrophobicContact CD2-CB 4.08Å; L72-W81 HydrophobicContact CB-CH2 3.51Å; L72-W81 HydrophobicContact CB-CZ2 3.39Å; L72-W81 HydrophobicContact CB-CZ3 4.37Å; L72-W81 HydrophobicContact CD1-CE3 4.18Å; L72-W81 HydrophobicContact CD1-CH2 3.58Å; L72-W81 HydrophobicContact CD1-CZ2 4.11Å; L72-W81 HydrophobicContact CD1-CZ3 3.61Å; L72-W81 HydrophobicContact CG-CH2 4.21Å; L72-W81 HydrophobicContact CG-CZ2 4.42Å
73C79.2Confident75.2Confident32 Ų3255.9 Ų55.922%0.21633%0.331CS..Hα-helixtrans-68.9-38.3178.4-640000112.5L69 R70 W81 L94L69-C73 PolarHBondContact O-N 3.46Å; L69-C73 PolarHBondContact O-SG 2.63Å; R70-C73 PolarHBondContact O-N 3.31Å; C73-W81 VanDerWaalsContact SG-CZ2 3.51Å; C73-L94 HydrophobicContact CB-CD1 3.64Å; C73-L94 HydrophobicContact CB-CD2 4.4Å
74S78.4Confident73.6Confident101 Ų10156.1 Ų56.171%0.70635%0.347SS*.Hα-helixtrans-73.1-28.2178.5-58.60000112.9R70 F71 G76R70-S74 WeakPolarHBondContact O-CB 3.38Å; R70-S74 PolarHBondContact O-N 2.98Å; R70-S74 PolarHBondContact O-OG 2.74Å; F71-S74 PolarHBondContact O-N 3.29Å; S74-G76 VanDerWaalsContact C-N 3.3Å; S74-G76 PolarHBondContact O-N 3.09Å
75G66.3Low71.9Confident35 Ų3563.3 Ų63.336%0.36138%0.38SS..SBendtrans-77.775.7175.200000111.5F71 V77F71-G75 PolarHBondContact O-N 3.26Å; G75-V77 PolarHBondContact O-N 3.41Å
76G55.7Low70.3Confident74 Ų7463.8 Ų63.876%0.76338%0.383SS*.THydrogen-bonded Turntrans-58.315.2-168.400000119.4S74S74-G76 VanDerWaalsContact C-N 3.3Å; S74-G76 PolarHBondContact O-N 3.09Å
77V47.2Very low68.8Low137 Ų13763.4 Ų63.483%0.8338%0.383SS*.THydrogen-bonded Turntrans-139-11.9-173.7-171.40000115.7G75G75-V77 PolarHBondContact O-N 3.41Å
78Q49.4Very low67.7Low163 Ų16364.6 Ų64.676%0.76240%0.396SS*.THydrogen-bonded Turntrans-144.76.9-169.6-81.8-172.8-16.900117.9N80Q78-N80 PolarHBondContact O-N 3.12Å
79A53.6Low66.4Low23 Ų2368.3 Ų68.319%0.1941%0.413CS..  trans-70.786.8165.100000107.8L72 W81L72-A79 HydrophobicContact CB-CB 4.02Å; L72-A79 HydrophobicContact CD2-CB 4.08Å; A79-W81 HydrophobicContact CB-CD2 4.18Å; A79-W81 HydrophobicContact CB-CG 4.14Å; A79-W81 HydrophobicContact CB-CZ2 4.28Å; A79-W81 VanDerWaalsContact CB-NE1 3.3Å; A79-W81 PolarHBondContact O-N 3.38Å
80N56.6Low64.9Low108 Ų10868.2 Ų68.258%0.57841%0.413SS*.  trans-65.280.7156.5-170.6-0.6000105.9F18 N22 Q78 G82F18-N80 WeakPolarHBondContact CE2-O 3.27Å; N22-N80 PolarHBondContact ND2-O 2.8Å; N22-N80 PolarHBondContact OD1-O 3.1Å; Q78-N80 PolarHBondContact O-N 3.12Å; N80-G82 PolarHBondContact O-N 3.44Å; N80-G82 WeakPolarHBondContact OD1-CA 3.13Å; N80-G82 PolarHBondContact OD1-N 2.94Å
81W59.7Low63.9Low33 Ų3368.8 Ų68.813%0.12542%0.42CS..  trans-56.6-13.9173.5-70104.2000111.1F18 R21 L69 L72 C73 A79 L83 A87 C90F18-W81 HydrophobicContact CD2-CE3 4.19Å; R21-W81 PolarHBondContact NH1-O 3.28Å; L69-W81 HydrophobicContact CD2-CH2 3.95Å; L69-W81 HydrophobicContact CD2-CZ3 3.78Å; L72-W81 HydrophobicContact CB-CH2 3.51Å; L72-W81 HydrophobicContact CB-CZ2 3.39Å; L72-W81 HydrophobicContact CB-CZ3 4.37Å; L72-W81 HydrophobicContact CD1-CE3 4.18Å; L72-W81 HydrophobicContact CD1-CH2 3.58Å; L72-W81 HydrophobicContact CD1-CZ2 4.11Å; L72-W81 HydrophobicContact CD1-CZ3 3.61Å; L72-W81 HydrophobicContact CG-CH2 4.21Å; L72-W81 HydrophobicContact CG-CZ2 4.42Å; C73-W81 VanDerWaalsContact SG-CZ2 3.51Å; A79-W81 HydrophobicContact CB-CD2 4.18Å; A79-W81 HydrophobicContact CB-CG 4.14Å; A79-W81 HydrophobicContact CB-CZ2 4.28Å; A79-W81 VanDerWaalsContact CB-NE1 3.3Å; A79-W81 PolarHBondContact O-N 3.38Å; W81-L83 WeakPolarHBondContact CB-O 3.43Å; W81-L83 PolarHBondContact O-N 3.22Å; W81-A87 HydrophobicContact CB-CB 4.49Å; W81-A87 HydrophobicContact CD2-CB 4.31Å; W81-A87 HydrophobicContact CG-CB 3.96Å; W81-C90 HydrophobicContact CH2-CB 3.76Å; W81-C90 HydrophobicContact CZ2-CB 4.41Å; W81-C90 HydrophobicContact CZ3-CB 3.97Å; W81-C90 VanDerWaalsContact CZ3-SG 3.51Å
82G55.6Low63.1Low35 Ų3569.3 Ų69.336%0.36144%0.438SS..SBendtrans83.3-36.2-173.200000111.6N80N80-G82 PolarHBondContact O-N 3.44Å; N80-G82 WeakPolarHBondContact OD1-CA 3.13Å; N80-G82 PolarHBondContact OD1-N 2.94Å
83L56.3Low62.1Low92 Ų9272.5 Ų72.548%0.48245%0.45SS..SBendtrans-144.9149.7176.5-62.8177.2000111.2R21 W81R21-L83 VanDerWaalsContact NH2-CD1 3.3Å; W81-L83 WeakPolarHBondContact CB-O 3.43Å; W81-L83 PolarHBondContact O-N 3.22Å
84A62.7Low61.3Low86 Ų8677.2 Ų77.271%0.71147%0.472SS*.Hα-helixtrans-68.8-32.3177.800000113.5D86 A87 A88A84-D86 VanDerWaalsContact C-N 3.34Å; A84-D86 PolarHBondContact O-N 2.89Å; A84-A87 WeakPolarHBondContact O-CB 3.39Å; A84-A87 PolarHBondContact O-N 3.04Å; A84-A87 VanDerWaalsContact O-N 3.15Å; A84-A88 PolarHBondContact O-N 3.32Å
85E63.3Low60.4Low151 Ų15176 Ų7671%0.70646%0.46SS*.Hα-helixtrans-62.8-38.8-179.3-64.6173.1163.500112.3A87 A88 E89E85-A87 VanDerWaalsContact C-N 3.3Å; E85-A87 PolarHBondContact O-N 3.4Å; E85-A88 PolarHBondContact O-N 3.34Å; E85-E89 PolarHBondContact O-N 2.78Å; E85-E89 VanDerWaalsContact O-N 3.13Å
86D62.3Low60.1Low11 Ų1178.2 Ų78.26%0.05947%0.465CS..Hα-helixtrans-71.3-26.4177.2-65.1-74000112.2K9 R21 A84 C90K9-D86 IonicContact NZ-OD1 3.51Å; R21-D86 IonicContact CZ-OD2 3.12Å; R21-D86 IonicContact NH1-OD2 2.61Å; R21-D86 PolarHBondContact NH1-OD2 2.84Å; R21-D86 IonicContact NH2-OD2 2.77Å; R21-D86 PolarHBondContact NH2-OD2 2.8Å; A84-D86 VanDerWaalsContact C-N 3.34Å; A84-D86 PolarHBondContact O-N 2.89Å; D86-C90 WeakPolarHBondContact O-CB 3.45Å; D86-C90 PolarHBondContact O-N 3.04Å; D86-C90 VanDerWaalsContact O-N 3.08Å; D86-C90 PolarHBondContact O-SG 2.92Å
87A62.3Low60.4Low17 Ų1778.4 Ų78.414%0.1445%0.449CS..Hα-helixtrans-65.9-43.2172.800000110.8W81 A84 E85 C90 E91W81-A87 HydrophobicContact CB-CB 4.49Å; W81-A87 HydrophobicContact CD2-CB 4.31Å; W81-A87 HydrophobicContact CG-CB 3.96Å; A84-A87 WeakPolarHBondContact O-CB 3.39Å; A84-A87 PolarHBondContact O-N 3.04Å; A84-A87 VanDerWaalsContact O-N 3.15Å; E85-A87 VanDerWaalsContact C-N 3.3Å; E85-A87 PolarHBondContact O-N 3.4Å; A87-C90 PolarHBondContact O-N 3.06Å; A87-E91 WeakPolarHBondContact O-CG 3.45Å; A87-E91 PolarHBondContact O-N 3.3Å
88A69.9Low61.2Low61 Ų6174.9 Ų74.950%0.50443%0.426SS..Hα-helixtrans-64.7-41.7176.500000112.6A84 E85 C90 E91 A92A84-A88 PolarHBondContact O-N 3.32Å; E85-A88 PolarHBondContact O-N 3.34Å; A88-C90 VanDerWaalsContact C-N 3.26Å; A88-C90 PolarHBondContact O-N 2.93Å; A88-E91 PolarHBondContact O-N 3.19Å; A88-A92 PolarHBondContact O-N 2.87Å
89E65.7Low61.9Low78 Ų7869.4 Ų69.436%0.36441%0.405SS..Hα-helixtrans-62.3-33.8173.9-68.8-176.9166.500111.9K9 H14 E85 Y93K9-E89 WeakPolarHBondContact CD-OE2 3.07Å; K9-E89 IonicContact NZ-OE1 3.44Å; K9-E89 PolarHBondContact NZ-OE1 3.43Å; K9-E89 IonicContact NZ-OE2 2.81Å; K9-E89 PolarHBondContact NZ-OE2 3.49Å; H14-E89 IonicContact CE1-OE2 3.14Å; H14-E89 PolarHBondContact CE1-OE2 2.8Å; H14-E89 IonicContact ND1-OE2 3.72Å; E85-E89 PolarHBondContact O-N 2.78Å; E85-E89 VanDerWaalsContact O-N 3.13Å; E89-Y93 VanDerWaalsContact O-CD2 3.25Å; E89-Y93 WeakPolarHBondContact O-CD2 3.45Å; E89-Y93 WeakPolarHBondContact O-CE2 3.14Å
90C58.8Low62.4Low2 Ų272.5 Ų72.51%0.01442%0.42CS..Hα-helixtrans-78-37.9178.5-68.40000113.1W81 D86 A87 A88 A92 Y93W81-C90 HydrophobicContact CH2-CB 3.76Å; W81-C90 HydrophobicContact CZ2-CB 4.41Å; W81-C90 HydrophobicContact CZ3-CB 3.97Å; W81-C90 VanDerWaalsContact CZ3-SG 3.51Å; D86-C90 WeakPolarHBondContact O-CB 3.45Å; D86-C90 PolarHBondContact O-N 3.04Å; D86-C90 VanDerWaalsContact O-N 3.08Å; D86-C90 PolarHBondContact O-SG 2.92Å; A87-C90 PolarHBondContact O-N 3.06Å; A88-C90 VanDerWaalsContact C-N 3.26Å; A88-C90 PolarHBondContact O-N 2.93Å; C90-A92 PolarHBondContact O-N 2.93Å; C90-Y93 WeakPolarHBondContact O-CB 3.29Å; C90-Y93 PolarHBondContact O-N 2.73Å
91E66.8Low62.9Low121 Ų12170 Ų7057%0.56541%0.408SS*.Hα-helixtrans-59-31.3173.3-78.8179.7-174.600112A87 A88 Y93 L94A87-E91 WeakPolarHBondContact O-CG 3.45Å; A87-E91 PolarHBondContact O-N 3.3Å; A88-E91 PolarHBondContact O-N 3.19Å; E91-Y93 PolarHBondContact O-N 3.08Å; E91-L94 HydrophobicContact CG-CD1 4.38Å; E91-L94 WeakPolarHBondContact O-CB 3.42Å; E91-L94 PolarHBondContact O-N 3.26Å
92A70.4Confident63.1Low84 Ų8472.8 Ų72.869%0.69443%0.43SS*.THydrogen-bonded Turntrans-62.2-12.6174.400000114.5A88 C90A88-A92 PolarHBondContact O-N 2.87Å; C90-A92 PolarHBondContact O-N 2.93Å
93Y63.2Low63.7Low79 Ų7976 Ų7631%0.3144%0.436SS..THydrogen-bonded Turntrans-96.4-6.1175-68.5-80.7000114.4K9 P11 H14 L66 E89 C90 E91K9-Y93 PolarHBondContact O-OH 2.94Å; P11-Y93 HydrophobicContact CG-CD1 4.2Å; P11-Y93 HydrophobicContact CG-CE1 3.89Å; H14-Y93 AromaticContact CD2-CE2 3.76Å; H14-Y93 AromaticContact NE2-CE2 3.53Å; L66-Y93 HydrophobicContact CD2-CD1 3.98Å; L66-Y93 HydrophobicContact CD2-CG 4.11Å; E89-Y93 VanDerWaalsContact O-CD2 3.25Å; E89-Y93 WeakPolarHBondContact O-CD2 3.45Å; E89-Y93 WeakPolarHBondContact O-CE2 3.14Å; C90-Y93 WeakPolarHBondContact O-CB 3.29Å; C90-Y93 PolarHBondContact O-N 2.73Å; E91-Y93 PolarHBondContact O-N 3.08Å
94L63.1Low64.4Low130 Ų13074.5 Ų74.568%0.68143%0.432SS*.  trans-81.30175.4-58-179.5000110.6R70 C73 E91R70-L94 HydrophobicContact CB-CD2 4.12Å; R70-L94 HydrophobicContact CG-CD2 3.34Å; C73-L94 HydrophobicContact CB-CD1 3.64Å; C73-L94 HydrophobicContact CB-CD2 4.4Å; E91-L94 HydrophobicContact CG-CD1 4.38Å; E91-L94 WeakPolarHBondContact O-CB 3.42Å; E91-L94 PolarHBondContact O-N 3.26Å

Retrieved 94 of 94 residues in 374.5 ms (Link to these results)

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