A0A077ZMF9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZMF9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 106 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
1M36.5Very low53.6Low181 Ų181108.5 Ų108.589%0.89257%0.571SS**  0900-162.1174.3-163.200108
2F28.3Very low55.4Low197 Ų197107 Ų10786%0.86455%0.553SS**  trans-89.6106.3-178.8-70-86.2000108.9S4F2-S4 PolarHBondContact O-N 3.47Å; F2-S4 VanDerWaalsContact O-N 3.09Å
3F39.1Very low57.2Low136 Ų136112.5 Ų112.560%0.59656%0.562SS**  trans-71.291.2153.6-78.4-94.6000106.3G5 R66F3-G5 PolarHBondContact O-N 3.11Å; F3-R66 VanDerWaalsContact CE1-NH1 3.26Å
4S36.3Very low58.7Low83 Ų83108 Ų10858%0.5855%0.551SS**  trans-56.9113.3167.9-28.70000106.8F2 S6 D7F2-S4 PolarHBondContact O-N 3.47Å; F2-S4 VanDerWaalsContact O-N 3.09Å; S4-S6 PolarHBondContact O-N 3.3Å; S4-D7 PolarHBondContact O-N 3.41Å
5G44.6Very low60Low49 Ų49101.4 Ų101.451%0.50552%0.517SS..THydrogen-bonded Turntrans-58.2-2.6-17200000116.2F3F3-G5 PolarHBondContact O-N 3.11Å
6S56Low61.3Low79 Ų79101.1 Ų101.155%0.55252%0.516SS*.Hα-helixtrans-66.6-38.3176.5580000113S4 T10S4-S6 PolarHBondContact O-N 3.3Å; S6-T10 WeakPolarHBondContact O-CB 3.2Å; S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 PolarHBondContact O-OG1 3.15Å
7D67.9Low62.6Low82 Ų8299.9 Ų99.944%0.43951%0.512SS..Hα-helixtrans-71.5-48.9-171.7-162.745000110.8S4 N9 T10 F11S4-D7 PolarHBondContact O-N 3.41Å; D7-N9 PolarHBondContact O-N 3.29Å; D7-T10 WeakPolarHBondContact O-CB 3.12Å; D7-T10 PolarHBondContact O-N 3Å; D7-T10 VanDerWaalsContact O-N 3.12Å; D7-F11 VanDerWaalsContact CG-CE2 3.46Å; D7-F11 WeakPolarHBondContact O-CD2 3.49Å; D7-F11 PolarHBondContact O-N 3.38Å; D7-F11 VanDerWaalsContact OD1-CE2 3.32Å; D7-F11 WeakPolarHBondContact OD1-CE2 3.47Å; D7-F11 WeakPolarHBondContact OD2-CE2 3.46Å
8R66.4Low63.4Low152 Ų15295.4 Ų95.457%0.57449%0.492SS*.Hα-helixtrans-59.4-44.8178.2-159.2-173.562172.80.8111.9T10 F11 Y12R8-T10 VanDerWaalsContact C-N 3.33Å; R8-T10 PolarHBondContact O-N 3.23Å; R8-F11 PolarHBondContact O-N 2.98Å; R8-Y12 HydrophobicContact CG-CD2 4.02Å; R8-Y12 HydrophobicContact CG-CE2 3.52Å; R8-Y12 WeakPolarHBondContact O-CD2 3.46Å; R8-Y12 PolarHBondContact O-N 3.22Å
9N71.9Confident64.3Low92 Ų9292.7 Ų92.749%0.49248%0.476SS..Hα-helixtrans-64.5-37177.3-81.9-10.6000112.6D7 F11 Y12 R13D7-N9 PolarHBondContact O-N 3.29Å; N9-F11 VanDerWaalsContact C-N 3.32Å; N9-F11 PolarHBondContact O-N 3.33Å; N9-Y12 PolarHBondContact O-N 2.78Å; N9-R13 WeakPolarHBondContact O-CG 3.48Å; N9-R13 PolarHBondContact O-N 3.28Å
10T73.4Confident65.3Low89 Ų8995.9 Ų95.955%0.54648%0.482SS..Hα-helixtrans-63.1-40.7175.4-56.30000110.9S6 D7 R8 R13 A14S6-T10 WeakPolarHBondContact O-CB 3.2Å; S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 PolarHBondContact O-OG1 3.15Å; D7-T10 WeakPolarHBondContact O-CB 3.12Å; D7-T10 PolarHBondContact O-N 3Å; D7-T10 VanDerWaalsContact O-N 3.12Å; R8-T10 VanDerWaalsContact C-N 3.33Å; R8-T10 PolarHBondContact O-N 3.23Å; T10-R13 WeakPolarHBondContact O-CB 3.35Å; T10-R13 PolarHBondContact O-N 3.27Å; T10-A14 PolarHBondContact O-N 2.58Å
11F69.4Low66.2Low54 Ų5498.6 Ų98.624%0.23749%0.486CS..Hα-helixtrans-68.1-43.8176.2-71.6-61.8000113.6D7 R8 N9 R13 A14 I15 F59 L62D7-F11 VanDerWaalsContact CG-CE2 3.46Å; D7-F11 WeakPolarHBondContact O-CD2 3.49Å; D7-F11 PolarHBondContact O-N 3.38Å; D7-F11 VanDerWaalsContact OD1-CE2 3.32Å; D7-F11 WeakPolarHBondContact OD1-CE2 3.47Å; D7-F11 WeakPolarHBondContact OD2-CE2 3.46Å; R8-F11 PolarHBondContact O-N 2.98Å; N9-F11 VanDerWaalsContact C-N 3.32Å; N9-F11 PolarHBondContact O-N 3.33Å; F11-R13 PolarHBondContact O-N 3.18Å; F11-A14 PolarHBondContact O-N 3.08Å; F11-A14 VanDerWaalsContact O-N 3.12Å; F11-I15 PolarHBondContact O-N 3.02Å; F11-F59 HydrophobicContact CB-CE1 4.08Å; F11-F59 HydrophobicContact CB-CE2 4.25Å; F11-F59 HydrophobicContact CB-CZ 3.54Å; F11-F59 HydrophobicContact CG-CE1 4.45Å; F11-F59 HydrophobicContact CG-CZ 4.34Å; F11-L62 HydrophobicContact CD1-CD1 3.61Å; F11-L62 HydrophobicContact CE1-CD1 3.22Å; F11-L62 HydrophobicContact CE1-CD2 3.86Å; F11-L62 HydrophobicContact CE1-CG 4.19Å; F11-L62 HydrophobicContact CZ-CD1 3.86Å; F11-L62 HydrophobicContact CZ-CD2 3.75Å; F11-L62 HydrophobicContact CZ-CG 4.43Å
12Y75.2Confident68.4Low90 Ų9091 Ų9135%0.35345%0.45SS..Hα-helixtrans-55.8-43.8172.5-77.8-67.2000111R8 N9 A14 I15 L16 F55R8-Y12 HydrophobicContact CG-CD2 4.02Å; R8-Y12 HydrophobicContact CG-CE2 3.52Å; R8-Y12 WeakPolarHBondContact O-CD2 3.46Å; R8-Y12 PolarHBondContact O-N 3.22Å; N9-Y12 PolarHBondContact O-N 2.78Å; Y12-A14 PolarHBondContact O-N 3.03Å; Y12-I15 PolarHBondContact O-N 3.27Å; Y12-L16 VanDerWaalsContact O-CG 3.31Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 3.31Å; Y12-F55 AromaticContact CD1-CE2 3.5Å; Y12-F55 HydrophobicContact CD1-CE2 3.5Å; Y12-F55 HydrophobicContact CD1-CZ 4.01Å; Y12-F55 HydrophobicContact CE1-CD2 4.27Å; Y12-F55 AromaticContact CE1-CE2 3.08Å; Y12-F55 HydrophobicContact CE1-CE2 3.08Å; Y12-F55 AromaticContact CE1-CZ 3.27Å; Y12-F55 HydrophobicContact CE1-CZ 3.27Å; Y12-F55 HydrophobicContact CE2-CZ 4.49Å; Y12-F55 AromaticContact CZ-CE2 3.86Å; Y12-F55 AromaticContact CZ-CZ 3.52Å
13R79.1Confident70.9Confident179 Ų17984.7 Ų84.768%0.67543%0.429SS*.Hα-helixtrans-60.8-43.1175.5-76.4-176.8177.2-95.10.4112.4N9 T10 F11 I15 L16 D17N9-R13 WeakPolarHBondContact O-CG 3.48Å; N9-R13 PolarHBondContact O-N 3.28Å; T10-R13 WeakPolarHBondContact O-CB 3.35Å; T10-R13 PolarHBondContact O-N 3.27Å; F11-R13 PolarHBondContact O-N 3.18Å; R13-I15 VanDerWaalsContact C-N 3.34Å; R13-I15 PolarHBondContact O-N 3.41Å; R13-L16 PolarHBondContact O-N 3.06Å; R13-D17 WeakPolarHBondContact O-CB 3.45Å; R13-D17 PolarHBondContact O-N 2.94Å
14A77.7Confident73.2Confident49 Ų4985.5 Ų85.541%0.40543%0.432SS..Hα-helixtrans-61.9-39.9178.100000112.8T10 F11 Y12 D17 A18T10-A14 PolarHBondContact O-N 2.58Å; F11-A14 PolarHBondContact O-N 3.08Å; F11-A14 VanDerWaalsContact O-N 3.12Å; Y12-A14 PolarHBondContact O-N 3.03Å; A14-D17 PolarHBondContact O-N 3.23Å; A14-A18 WeakPolarHBondContact O-CB 3.37Å; A14-A18 PolarHBondContact O-N 3.08Å
15I77.7Confident75.6Confident9 Ų986.4 Ų86.45%0.04643%0.434CS..Hα-helixtrans-66.3-45.3175.4-66.9-180000110.7F11 Y12 R13 D17 A18 F19 L46 L54 F55 H58 F59F11-I15 PolarHBondContact O-N 3.02Å; Y12-I15 PolarHBondContact O-N 3.27Å; R13-I15 VanDerWaalsContact C-N 3.34Å; R13-I15 PolarHBondContact O-N 3.41Å; I15-D17 VanDerWaalsContact C-N 3.3Å; I15-D17 PolarHBondContact O-N 3.27Å; I15-A18 PolarHBondContact O-N 2.7Å; I15-F19 WeakPolarHBondContact O-CB 3.47Å; I15-F19 PolarHBondContact O-N 2.88Å; I15-L46 HydrophobicContact CG2-CD1 3.92Å; I15-L54 HydrophobicContact CG2-CB 4.43Å; I15-F55 HydrophobicContact CD1-CD2 3.61Å; I15-F55 HydrophobicContact CD1-CE2 3.93Å; I15-F55 HydrophobicContact CD1-CG 4.35Å; I15-H58 HydrophobicContact CD1-CB 4.34Å; I15-H58 HydrophobicContact CG1-CB 4.42Å; I15-F59 HydrophobicContact CD1-CD2 3.85Å; I15-F59 HydrophobicContact CD1-CE2 3.45Å; I15-F59 VanDerWaalsContact CD1-CE2 3.45Å
16L81.1Confident77.5Confident96 Ų9687.3 Ų87.350%0.50344%0.443SS..Hα-helixtrans-62.9-37.7177-69.4171.5000111.8Y12 R13 F19 R20 L46Y12-L16 VanDerWaalsContact O-CG 3.31Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 3.31Å; R13-L16 PolarHBondContact O-N 3.06Å; L16-F19 PolarHBondContact O-N 3.29Å; L16-R20 VanDerWaalsContact O-CB 3.24Å; L16-R20 WeakPolarHBondContact O-CB 3.19Å; L16-R20 PolarHBondContact O-N 3.36Å; L16-L46 HydrophobicContact CD2-CD1 4.23Å
17D83.3Confident78.6Confident82 Ų8289.5 Ų89.544%0.43944%0.442SS..Hα-helixtrans-66.9-40174.9-80.3-21.3000112.1R13 A14 I15 R20 R21R13-D17 WeakPolarHBondContact O-CB 3.45Å; R13-D17 PolarHBondContact O-N 2.94Å; A14-D17 PolarHBondContact O-N 3.23Å; I15-D17 VanDerWaalsContact C-N 3.3Å; I15-D17 PolarHBondContact O-N 3.27Å; D17-R20 PolarHBondContact O-N 2.96Å; D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.46Å
18A78Confident79Confident19 Ų1989.5 Ų89.516%0.15745%0.449CS..Hα-helixtrans-62.3-51.6173.100000110.8A14 I15 R20 R21 D22A14-A18 WeakPolarHBondContact O-CB 3.37Å; A14-A18 PolarHBondContact O-N 3.08Å; I15-A18 PolarHBondContact O-N 2.7Å; A18-R20 VanDerWaalsContact C-N 3.3Å; A18-R20 PolarHBondContact O-N 3.27Å; A18-R21 WeakPolarHBondContact O-CB 3.24Å; A18-R21 PolarHBondContact O-N 2.83Å; A18-D22 PolarHBondContact O-N 3.48Å
19F79.7Confident79.5Confident44 Ų4485.1 Ų85.119%0.19343%0.432CS..Hα-helixtrans-52.5-48.6175.4-175.7-87.2000111.4I15 L16 R21 D22 C23 R29 V31 L46I15-F19 WeakPolarHBondContact O-CB 3.47Å; I15-F19 PolarHBondContact O-N 2.88Å; L16-F19 PolarHBondContact O-N 3.29Å; F19-R21 PolarHBondContact O-N 2.88Å; F19-D22 PolarHBondContact O-N 3.47Å; F19-C23 VanDerWaalsContact CE1-SG 3.52Å; F19-C23 PolarHBondContact O-N 3.22Å; F19-C23 PolarHBondContact O-SG 2.86Å; F19-R29 HydrophobicContact CD2-CB 3.81Å; F19-R29 HydrophobicContact CD2-CG 3.8Å; F19-R29 HydrophobicContact CE2-CB 3.24Å; F19-R29 HydrophobicContact CE2-CG 3.76Å; F19-R29 HydrophobicContact CZ-CB 3.97Å; F19-V31 HydrophobicContact CE2-CG2 3.74Å; F19-V31 HydrophobicContact CZ-CG2 3.66Å; F19-L46 HydrophobicContact CB-CD1 4.4Å; F19-L46 HydrophobicContact CD2-CB 4.38Å; F19-L46 HydrophobicContact CD2-CD1 4.06Å; F19-L46 HydrophobicContact CD2-CD2 3.9Å; F19-L46 HydrophobicContact CD2-CG 4.35Å; F19-L46 HydrophobicContact CE2-CD2 3.7Å; F19-L46 HydrophobicContact CG-CD1 4.31Å; F19-L46 HydrophobicContact CZ-CD2 4.29Å
20R84.5Confident80Confident155 Ų15585.2 Ų85.259%0.58543%0.432SS*.Hα-helixtrans-60.8-40.9177.6-176.9179.4177.4177-0.8112.7L16 D17 A18 K24L16-R20 VanDerWaalsContact O-CB 3.24Å; L16-R20 WeakPolarHBondContact O-CB 3.19Å; L16-R20 PolarHBondContact O-N 3.36Å; D17-R20 PolarHBondContact O-N 2.96Å; A18-R20 VanDerWaalsContact C-N 3.3Å; A18-R20 PolarHBondContact O-N 3.27Å; R20-K24 PolarHBondContact O-N 3.24Å; R20-K24 VanDerWaalsContact O-N 3.08Å
21R85Confident80.5Confident154 Ų15483 Ų8358%0.58142%0.419SS*.Hα-helixtrans-62.9-42.3176.7-79.8-175.5-67.3-115.9-2.5111.5D17 A18 F19 K24 V25D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.46Å; A18-R21 WeakPolarHBondContact O-CB 3.24Å; A18-R21 PolarHBondContact O-N 2.83Å; F19-R21 PolarHBondContact O-N 2.88Å; R21-K24 WeakPolarHBondContact O-CB 3.41Å; R21-K24 PolarHBondContact O-N 2.84Å; R21-V25 PolarHBondContact O-N 3.41Å
22D81.1Confident81.3Confident22 Ų2284.4 Ų84.412%0.11843%0.429CS..Hα-helixtrans-65.8-43.8178.3-67.2-62.7000112.2A18 F19 K24 V25 G26 K27 R29A18-D22 PolarHBondContact O-N 3.48Å; F19-D22 PolarHBondContact O-N 3.47Å; D22-K24 PolarHBondContact O-N 2.86Å; D22-V25 WeakPolarHBondContact O-CG2 3.4Å; D22-V25 PolarHBondContact O-N 2.92Å; D22-V25 VanDerWaalsContact O-N 3.11Å; D22-G26 PolarHBondContact O-N 3.43Å; D22-K27 HydrophobicContact CB-CB 4.02Å; D22-K27 HydrophobicContact CB-CD 4.39Å; D22-K27 WeakPolarHBondContact O-CB 3.24Å; D22-K27 PolarHBondContact O-N 2.81Å; D22-K27 IonicContact OD1-NZ 3.91Å; D22-R29 HydrophobicContact CB-CG 4.34Å; D22-R29 IonicContact OD1-NH2 3.62Å; D22-R29 IonicContact OD2-CZ 3.17Å; D22-R29 IonicContact OD2-NE 3.08Å; D22-R29 PolarHBondContact OD2-NE 2.72Å; D22-R29 VanDerWaalsContact OD2-NE 3.08Å; D22-R29 IonicContact OD2-NH2 2.58Å; D22-R29 PolarHBondContact OD2-NH2 3.1Å
23C82.1Confident81.6Confident63 Ų6386.4 Ų86.443%0.42644%0.439SS..Hα-helixtrans-59.2-37.1174.9-630000111.9F19 V25 G26F19-C23 VanDerWaalsContact CE1-SG 3.52Å; F19-C23 PolarHBondContact O-N 3.22Å; F19-C23 PolarHBondContact O-SG 2.86Å; C23-V25 VanDerWaalsContact C-N 3.32Å; C23-V25 PolarHBondContact O-N 3.43Å; C23-G26 PolarHBondContact O-N 2.82Å
24K87.3Confident81.7Confident154 Ų15480.1 Ų80.167%0.6742%0.423SS*.Hα-helixtrans-64.8-30.8176.9-83.3-173.9173.3-1720114R20 R21 D22 G26R20-K24 PolarHBondContact O-N 3.24Å; R20-K24 VanDerWaalsContact O-N 3.08Å; R21-K24 WeakPolarHBondContact O-CB 3.41Å; R21-K24 PolarHBondContact O-N 2.84Å; D22-K24 PolarHBondContact O-N 2.86Å; K24-G26 VanDerWaalsContact C-N 3.29Å
25V87.1Confident81.5Confident102 Ų10286 Ų8662%0.61845%0.447SS*.THydrogen-bonded Turntrans-92.412.9178.1-61.30000112.7R21 D22 C23 K27R21-V25 PolarHBondContact O-N 3.41Å; D22-V25 WeakPolarHBondContact O-CG2 3.4Å; D22-V25 PolarHBondContact O-N 2.92Å; D22-V25 VanDerWaalsContact O-N 3.11Å; C23-V25 VanDerWaalsContact C-N 3.32Å; C23-V25 PolarHBondContact O-N 3.43Å; V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 HydrophobicContact CG2-CB 4.44Å; V25-K27 HydrophobicContact CG2-CD 3.98Å; V25-K27 HydrophobicContact CG2-CG 3.98Å; V25-K27 PolarHBondContact O-N 3.05Å
26G82.9Confident80.9Confident67 Ų6787.8 Ų87.869%0.69147%0.468SS*.THydrogen-bonded Turntrans77.512.3177.900000114.5D22 C23 K24D22-G26 PolarHBondContact O-N 3.43Å; C23-G26 PolarHBondContact O-N 2.82Å; K24-G26 VanDerWaalsContact C-N 3.29Å
27K80Confident80.3Confident125 Ų12588.9 Ų88.954%0.54347%0.474SS..  trans-80.3128.2174.1-71.4176.7-176.6178.60110D22 V25D22-K27 HydrophobicContact CB-CB 4.02Å; D22-K27 HydrophobicContact CB-CD 4.39Å; D22-K27 WeakPolarHBondContact O-CB 3.24Å; D22-K27 PolarHBondContact O-N 2.81Å; D22-K27 IonicContact OD1-NZ 3.91Å; V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 HydrophobicContact CG2-CB 4.44Å; V25-K27 HydrophobicContact CG2-CD 3.98Å; V25-K27 HydrophobicContact CG2-CG 3.98Å; V25-K27 PolarHBondContact O-N 3.05Å
28S76.3Confident79.3Confident82 Ų8289.2 Ų89.257%0.57348%0.479SS*.  trans-73.6150.2169.9-55.80000110.5M49S28-M49 VanDerWaalsContact C-SD 3.57Å; S28-M49 WeakPolarHBondContact O-CG 3.16Å
29R77.4Confident79.1Confident60 Ų6095.7 Ų95.723%0.22651%0.511CS..  trans-135.9145.7176.6-70.2-100.6176.1-139.83.2107.2F19 D22 Y47F19-R29 HydrophobicContact CD2-CB 3.81Å; F19-R29 HydrophobicContact CD2-CG 3.8Å; F19-R29 HydrophobicContact CE2-CB 3.24Å; F19-R29 HydrophobicContact CE2-CG 3.76Å; F19-R29 HydrophobicContact CZ-CB 3.97Å; D22-R29 HydrophobicContact CB-CG 4.34Å; D22-R29 IonicContact OD1-NH2 3.62Å; D22-R29 IonicContact OD2-CZ 3.17Å; D22-R29 IonicContact OD2-NE 3.08Å; D22-R29 PolarHBondContact OD2-NE 2.72Å; D22-R29 VanDerWaalsContact OD2-NE 3.08Å; D22-R29 IonicContact OD2-NH2 2.58Å; D22-R29 PolarHBondContact OD2-NH2 3.1Å; R29-Y47 WeakPolarHBondContact CD-O 3.37Å
30L81.9Confident79Confident94 Ų9496.7 Ų96.749%0.49253%0.533SS..EExtended strand (participates in β ladder)trans-84.8138.4174.2-135.4100.4000109.4Y47L30-Y47 HydrophobicContact CB-CD2 4.17Å; L30-Y47 HydrophobicContact CB-CG 4.38Å; L30-Y47 HydrophobicContact CD2-CD2 4.32Å; L30-Y47 PolarHBondContact N-O 3.25Å; L30-Y47 PolarHBondContact O-N 3.47Å
31V83.7Confident78.4Confident44 Ų4494.5 Ų94.527%0.26753%0.532SS..EExtended strand (participates in β ladder)trans-129.5118.6174.8-176.10000107.7F19 F33 V44 N45 L46F19-V31 HydrophobicContact CE2-CG2 3.74Å; F19-V31 HydrophobicContact CZ-CG2 3.66Å; V31-F33 HydrophobicContact CG1-CE1 4.26Å; V31-F33 HydrophobicContact CG1-CE2 4.16Å; V31-F33 HydrophobicContact CG1-CZ 3.98Å; V31-V44 HydrophobicContact CG1-CB 3.86Å; V31-V44 HydrophobicContact CG1-CG1 3.99Å; V31-V44 HydrophobicContact CG1-CG2 4.44Å; V31-N45 WeakPolarHBondContact CA-O 3.41Å; V31-L46 HydrophobicContact CB-CD2 4.36Å; V31-L46 HydrophobicContact CG1-CD2 4.01Å; V31-L46 HydrophobicContact CG2-CD2 3.73Å
32N85.5Confident77.9Confident83 Ų8391.6 Ų91.644%0.44453%0.528SS..EExtended strand (participates in β ladder)trans-98.8125.8165-89.6-1.9000108.9V44 N45 Y47N32-V44 CarbonylContact O-C 3.52Å; N32-V44 VanDerWaalsContact O-CA 3.27Å; N32-V44 WeakPolarHBondContact O-CA 3.4Å; N32-N45 HydrophobicContact CB-CB 4.37Å; N32-N45 PolarHBondContact N-O 2.96Å; N32-N45 PolarHBondContact O-N 3.12Å; N32-Y47 HydrophobicContact CB-CE2 4.08Å
33F82.9Confident77.8Confident131 Ų13192.9 Ų92.958%0.57554%0.538SS*.EExtended strand (participates in β ladder)trans-79.4129.2169.7-59.5-86.4000108.1V31 L42 V44V31-F33 HydrophobicContact CG1-CE1 4.26Å; V31-F33 HydrophobicContact CG1-CE2 4.16Å; V31-F33 HydrophobicContact CG1-CZ 3.98Å; F33-L42 HydrophobicContact CD1-CD1 4.02Å; F33-L42 HydrophobicContact CD1-CD2 3.8Å; F33-L42 HydrophobicContact CD1-CG 4.07Å; F33-L42 HydrophobicContact CE1-CD2 3.75Å; F33-L42 HydrophobicContact CE1-CG 4.5Å; F33-V44 HydrophobicContact CD1-CG1 3.43Å; F33-V44 VanDerWaalsContact CD1-CG1 3.43Å; F33-V44 HydrophobicContact CE1-CG1 3.72Å; F33-V44 HydrophobicContact CG-CG1 4.26Å
34C81.2Confident77.6Confident48 Ų4892.4 Ų92.432%0.32453%0.533SS..PPolyproline II helixtrans-75.7136.3170.5-60.70000108.2G36 S43C34-G36 PolarHBondContact O-N 3.18Å; C34-S43 PolarHBondContact N-O 3.31Å
35D74Confident77.4Confident171 Ų17188.1 Ų88.191%0.91452%0.517SS*.SBendtrans-64.6128.3176.9-71.4-36.5000110.3
36G64.6Low77.1Confident47 Ų4784.2 Ų84.249%0.48549%0.493SS..SBendtrans100.6108178.800000113.4C34 T38C34-G36 PolarHBondContact O-N 3.18Å; G36-T38 PolarHBondContact O-N 2.72Å; G36-T38 VanDerWaalsContact O-N 3.07Å
37L67.4Low77.1Confident120 Ų12083.2 Ų83.263%0.62847%0.469SS*.  trans-64110.1156-91.596.4000107.2L42L37-L42 HydrophobicContact CD1-CD1 4.24Å
38T62.7Low76.9Confident89 Ų8977.7 Ų77.755%0.54645%0.445SS..BIsolated β-bridgetrans-94.8119171.4-42.30000106.6G36 G40 I41G36-T38 PolarHBondContact O-N 2.72Å; G36-T38 VanDerWaalsContact O-N 3.07Å; T38-G40 VanDerWaalsContact C-N 3.27Å; T38-G40 PolarHBondContact O-N 2.92Å; T38-I41 PolarHBondContact N-O 3.42Å; T38-I41 WeakPolarHBondContact O-CB 3.31Å; T38-I41 PolarHBondContact O-N 2.8Å
39D74Confident76.8Confident155 Ų15580 Ų8083%0.82945%0.448SS*.THydrogen-bonded Turntrans54.135.8178.9-58.5-29.1000115.3I41D39-I41 PolarHBondContact O-N 3.04Å
40G76.9Confident76.9Confident64 Ų6483.4 Ų83.466%0.6647%0.471SS*.THydrogen-bonded Turntrans74.95-177.900000114.2T38T38-G40 VanDerWaalsContact C-N 3.27Å; T38-G40 PolarHBondContact O-N 2.92Å
41I73.4Confident76.6Confident110 Ų11081.3 Ų81.356%0.56447%0.472SS*.BIsolated β-bridgetrans-94.5118.7177.3-55.6176.9000108.8T38 D39 S43T38-I41 PolarHBondContact N-O 3.42Å; T38-I41 WeakPolarHBondContact O-CB 3.31Å; T38-I41 PolarHBondContact O-N 2.8Å; D39-I41 PolarHBondContact O-N 3.04Å; I41-S43 PolarHBondContact O-N 3.32Å
42L73Confident76.4Confident93 Ų9382.1 Ų82.149%0.48748%0.479SS..  trans-79.1110.9169.6-173.866.1000109.2F33 L37 V44F33-L42 HydrophobicContact CD1-CD1 4.02Å; F33-L42 HydrophobicContact CD1-CD2 3.8Å; F33-L42 HydrophobicContact CD1-CG 4.07Å; F33-L42 HydrophobicContact CE1-CD2 3.75Å; F33-L42 HydrophobicContact CE1-CG 4.5Å; L37-L42 HydrophobicContact CD1-CD1 4.24Å; L42-V44 HydrophobicContact CD2-CG1 4.36Å; L42-V44 HydrophobicContact CG-CG1 4.12Å
43S79.1Confident76.1Confident49 Ų4980 Ų8034%0.34347%0.468SS..  trans-88131.1175.9-66.40000110.1C34 I41C34-S43 PolarHBondContact N-O 3.31Å; I41-S43 PolarHBondContact O-N 3.32Å
44V79.2Confident75.6Confident52 Ų5274.1 Ų74.132%0.31544%0.443SS..EExtended strand (participates in β ladder)trans-136.5145-179.7-61.30000111.4V31 N32 F33 L42 L46V31-V44 HydrophobicContact CG1-CB 3.86Å; V31-V44 HydrophobicContact CG1-CG1 3.99Å; V31-V44 HydrophobicContact CG1-CG2 4.44Å; N32-V44 CarbonylContact O-C 3.52Å; N32-V44 VanDerWaalsContact O-CA 3.27Å; N32-V44 WeakPolarHBondContact O-CA 3.4Å; F33-V44 HydrophobicContact CD1-CG1 3.43Å; F33-V44 VanDerWaalsContact CD1-CG1 3.43Å; F33-V44 HydrophobicContact CE1-CG1 3.72Å; F33-V44 HydrophobicContact CG-CG1 4.26Å; L42-V44 HydrophobicContact CD2-CG1 4.36Å; L42-V44 HydrophobicContact CG-CG1 4.12Å; V44-L46 HydrophobicContact CG2-CD2 3.98Å; V44-L46 HydrophobicContact CG2-CG 4.3Å
45N81.7Confident75.2Confident64 Ų6475 Ų7534%0.34244%0.441SS..EExtended strand (participates in β ladder)trans-99.9127.2167.3-65.6-35.6000108.8V31 N32 Y47V31-N45 WeakPolarHBondContact CA-O 3.41Å; N32-N45 HydrophobicContact CB-CB 4.37Å; N32-N45 PolarHBondContact N-O 2.96Å; N32-N45 PolarHBondContact O-N 3.12Å; N45-Y47 HydrophobicContact CB-CE2 3.61Å
46L81.6Confident74.8Confident20 Ų2073.1 Ų73.111%0.10543%0.43CS..EExtended strand (participates in β ladder)trans-106.6129.3-177.6-57.3175.7000109.4I15 L16 F19 V31 V44 L54I15-L46 HydrophobicContact CG2-CD1 3.92Å; L16-L46 HydrophobicContact CD2-CD1 4.23Å; F19-L46 HydrophobicContact CB-CD1 4.4Å; F19-L46 HydrophobicContact CD2-CB 4.38Å; F19-L46 HydrophobicContact CD2-CD1 4.06Å; F19-L46 HydrophobicContact CD2-CD2 3.9Å; F19-L46 HydrophobicContact CD2-CG 4.35Å; F19-L46 HydrophobicContact CE2-CD2 3.7Å; F19-L46 HydrophobicContact CG-CD1 4.31Å; F19-L46 HydrophobicContact CZ-CD2 4.29Å; V31-L46 HydrophobicContact CB-CD2 4.36Å; V31-L46 HydrophobicContact CG1-CD2 4.01Å; V31-L46 HydrophobicContact CG2-CD2 3.73Å; V44-L46 HydrophobicContact CG2-CD2 3.98Å; V44-L46 HydrophobicContact CG2-CG 4.3Å; L46-L54 HydrophobicContact CB-CB 4.41Å; L46-L54 HydrophobicContact CB-CD1 3.99Å; L46-L54 WeakPolarHBondContact O-CB 3.44Å; L46-L54 PolarHBondContact O-N 2.77Å
47Y81.6Confident74.9Confident46 Ų4676.8 Ų76.818%0.1843%0.433CS..EExtended strand (participates in β ladder)trans-121.1154.6179.4-51.4-100.6000111.4R29 L30 N32 N45 G51 C52 D53R29-Y47 WeakPolarHBondContact CD-O 3.37Å; L30-Y47 HydrophobicContact CB-CD2 4.17Å; L30-Y47 HydrophobicContact CB-CG 4.38Å; L30-Y47 HydrophobicContact CD2-CD2 4.32Å; L30-Y47 PolarHBondContact N-O 3.25Å; L30-Y47 PolarHBondContact O-N 3.47Å; N32-Y47 HydrophobicContact CB-CE2 4.08Å; N45-Y47 HydrophobicContact CB-CE2 3.61Å; Y47-G51 WeakPolarHBondContact CD1-O 3.26Å; Y47-C52 CarbonylContact C-O 3.53Å; Y47-C52 VanDerWaalsContact CA-O 3.24Å; Y47-C52 WeakPolarHBondContact CA-O 3.38Å; Y47-D53 HydrophobicContact CD1-CB 3.97Å; Y47-D53 HydrophobicContact CE1-CB 3.89Å
48N75.8Confident74.6Confident10 Ų1075.2 Ų75.25%0.05342%0.422CS..  trans-74.9171.5162.173.6-4.8000111.6D50 G51 C52 L54N48-D50 PolarHBondContact ND2-OD2 3.36Å; N48-D50 PolarHBondContact O-N 2.98Å; N48-D50 WeakPolarHBondContact OD1-CA 3.02Å; N48-D50 PolarHBondContact OD1-N 3.26Å; N48-G51 PolarHBondContact O-N 3.46Å; N48-G51 PolarHBondContact OD1-N 3.36Å; N48-G51 VanDerWaalsContact OD1-N 3.15Å; N48-C52 PolarHBondContact N-O 3.49Å; N48-C52 WeakPolarHBondContact OD1-CA 3.27Å; N48-C52 WeakPolarHBondContact OD1-CB 3.47Å; N48-C52 PolarHBondContact OD1-N 3.44Å; N48-C52 PolarHBondContact OD1-O 3.34Å; N48-L54 HydrophobicContact CB-CD2 4.21Å
49M74.4Confident74.7Confident129 Ų12972 Ų7264%0.63540%0.401SS*.THydrogen-bonded Turntrans-62.6-21.3176.8-73.1-62.6-67.900113.1S28 G51S28-M49 VanDerWaalsContact C-SD 3.57Å; S28-M49 WeakPolarHBondContact O-CG 3.16Å; M49-G51 PolarHBondContact O-N 3.49Å
50D79.3Confident74.3Confident132 Ų13266.3 Ų66.371%0.70638%0.378SS*.THydrogen-bonded Turntrans-81.74.8175.2-39.5-59.4000112.2N48 C52N48-D50 PolarHBondContact ND2-OD2 3.36Å; N48-D50 PolarHBondContact O-N 2.98Å; N48-D50 WeakPolarHBondContact OD1-CA 3.02Å; N48-D50 PolarHBondContact OD1-N 3.26Å; D50-C52 PolarHBondContact O-N 2.93Å
51G77Confident73.8Confident50 Ų5068.6 Ų68.652%0.51537%0.372SS..SBendtrans74.37.7-178.600000114.8Y47 N48 M49Y47-G51 WeakPolarHBondContact CD1-O 3.26Å; N48-G51 PolarHBondContact O-N 3.46Å; N48-G51 PolarHBondContact OD1-N 3.36Å; N48-G51 VanDerWaalsContact OD1-N 3.15Å; M49-G51 PolarHBondContact O-N 3.49Å
52C78.1Confident73.3Confident61 Ų6166.6 Ų66.641%0.41236%0.362SS..  trans-77127.2174.3-55.40000110.8Y47 N48 D50 L54Y47-C52 CarbonylContact C-O 3.53Å; Y47-C52 VanDerWaalsContact CA-O 3.24Å; Y47-C52 WeakPolarHBondContact CA-O 3.38Å; N48-C52 PolarHBondContact N-O 3.49Å; N48-C52 WeakPolarHBondContact OD1-CA 3.27Å; N48-C52 WeakPolarHBondContact OD1-CB 3.47Å; N48-C52 PolarHBondContact OD1-N 3.44Å; N48-C52 PolarHBondContact OD1-O 3.34Å; D50-C52 PolarHBondContact O-N 2.93Å; C52-L54 PolarHBondContact O-N 3.36Å
53D80.4Confident73.1Confident40 Ų4068.5 Ų68.521%0.21437%0.366CS..BIsolated β-bridgetrans-60.3121.4171.8-174.5-28.6000110Y47 F55 L56 K57Y47-D53 HydrophobicContact CD1-CB 3.97Å; Y47-D53 HydrophobicContact CE1-CB 3.89Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 VanDerWaalsContact OD1-CA 3.26Å; D53-F55 WeakPolarHBondContact OD1-CA 3.31Å; D53-F55 WeakPolarHBondContact OD1-CB 3.49Å; D53-F55 PolarHBondContact OD1-N 2.91Å; D53-L56 HydrophobicContact CB-CB 3.84Å; D53-L56 PolarHBondContact O-N 2.82Å; D53-L56 PolarHBondContact OD1-N 2.89Å; D53-K57 WeakPolarHBondContact O-CB 3.23Å; D53-K57 PolarHBondContact O-N 3.38Å
54L71.8Confident72.7Confident7 Ų773.5 Ų73.54%0.03738%0.378CS..Hα-helixtrans-70.5-28.7-179.9-70.4172.6000112.2I15 L46 N48 C52 H58I15-L54 HydrophobicContact CG2-CB 4.43Å; L46-L54 HydrophobicContact CB-CB 4.41Å; L46-L54 HydrophobicContact CB-CD1 3.99Å; L46-L54 WeakPolarHBondContact O-CB 3.44Å; L46-L54 PolarHBondContact O-N 2.77Å; N48-L54 HydrophobicContact CB-CD2 4.21Å; C52-L54 PolarHBondContact O-N 3.36Å; L54-H58 WeakPolarHBondContact O-CB 3.48Å; L54-H58 PolarHBondContact O-CD2 3.04Å; L54-H58 PolarHBondContact O-N 3.36Å; L54-H58 VanDerWaalsContact O-N 3.1Å
55F72.4Confident72.4Confident66 Ų6677.2 Ų77.229%0.28939%0.39SS..Hα-helixtrans-62.9-55168.8-139.2-96.4000109Y12 I15 D53 K57 H58 F59Y12-F55 AromaticContact CD1-CE2 3.5Å; Y12-F55 HydrophobicContact CD1-CE2 3.5Å; Y12-F55 HydrophobicContact CD1-CZ 4.01Å; Y12-F55 HydrophobicContact CE1-CD2 4.27Å; Y12-F55 AromaticContact CE1-CE2 3.08Å; Y12-F55 HydrophobicContact CE1-CE2 3.08Å; Y12-F55 AromaticContact CE1-CZ 3.27Å; Y12-F55 HydrophobicContact CE1-CZ 3.27Å; Y12-F55 HydrophobicContact CE2-CZ 4.49Å; Y12-F55 AromaticContact CZ-CE2 3.86Å; Y12-F55 AromaticContact CZ-CZ 3.52Å; I15-F55 HydrophobicContact CD1-CD2 3.61Å; I15-F55 HydrophobicContact CD1-CE2 3.93Å; I15-F55 HydrophobicContact CD1-CG 4.35Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 VanDerWaalsContact OD1-CA 3.26Å; D53-F55 WeakPolarHBondContact OD1-CA 3.31Å; D53-F55 WeakPolarHBondContact OD1-CB 3.49Å; D53-F55 PolarHBondContact OD1-N 2.91Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 3.38Å; F55-H58 PolarHBondContact O-N 3.12Å; F55-F59 HydrophobicContact CB-CD2 4.39Å; F55-F59 HydrophobicContact CD1-CB 4.25Å; F55-F59 AromaticContact CD1-CD2 3.29Å; F55-F59 HydrophobicContact CD1-CD2 3.29Å; F55-F59 AromaticContact CD1-CE2 3.69Å; F55-F59 HydrophobicContact CD1-CE2 3.69Å; F55-F59 AromaticContact CD1-CG 3.77Å; F55-F59 HydrophobicContact CD1-CG 3.77Å; F55-F59 HydrophobicContact CD1-CZ 4.44Å; F55-F59 AromaticContact CD2-CD2 3.84Å; F55-F59 HydrophobicContact CD2-CD2 3.84Å; F55-F59 AromaticContact CD2-CE2 3.61Å; F55-F59 HydrophobicContact CD2-CE2 3.61Å; F55-F59 HydrophobicContact CE1-CB 4.49Å; F55-F59 AromaticContact CE1-CD1 3.98Å; F55-F59 HydrophobicContact CE1-CD1 3.98Å; F55-F59 AromaticContact CE1-CD2 3.29Å; F55-F59 HydrophobicContact CE1-CD2 3.29Å; F55-F59 AromaticContact CE1-CE1 3.95Å; F55-F59 HydrophobicContact CE1-CE1 3.95Å; F55-F59 AromaticContact CE1-CE2 3.27Å; F55-F59 HydrophobicContact CE1-CE2 3.27Å; F55-F59 AromaticContact CE1-CG 3.65Å; F55-F59 HydrophobicContact CE1-CG 3.65Å; F55-F59 AromaticContact CE1-CZ 3.6Å; F55-F59 HydrophobicContact CE1-CZ 3.6Å; F55-F59 AromaticContact CE2-CD2 3.79Å; F55-F59 HydrophobicContact CE2-CD2 3.79Å; F55-F59 AromaticContact CE2-CE2 3.14Å; F55-F59 HydrophobicContact CE2-CE2 3.14Å; F55-F59 AromaticContact CE2-CZ 3.75Å; F55-F59 HydrophobicContact CE2-CZ 3.75Å; F55-F59 AromaticContact CG-CD2 3.59Å; F55-F59 HydrophobicContact CG-CD2 3.59Å; F55-F59 AromaticContact CG-CE2 3.86Å; F55-F59 HydrophobicContact CG-CE2 3.86Å; F55-F59 HydrophobicContact CG-CG 4.47Å; F55-F59 HydrophobicContact CZ-CD1 4.42Å; F55-F59 AromaticContact CZ-CD2 3.56Å; F55-F59 HydrophobicContact CZ-CD2 3.56Å; F55-F59 AromaticContact CZ-CE1 3.95Å; F55-F59 HydrophobicContact CZ-CE1 3.95Å; F55-F59 AromaticContact CZ-CE2 2.98Å; F55-F59 HydrophobicContact CZ-CE2 2.98Å; F55-F59 HydrophobicContact CZ-CG 4.24Å; F55-F59 AromaticContact CZ-CZ 3.2Å; F55-F59 HydrophobicContact CZ-CZ 3.2Å; F55-F59 WeakPolarHBondContact O-CA 3.36Å; F55-F59 WeakPolarHBondContact O-CB 3.45Å; F55-F59 WeakPolarHBondContact O-CD2 3.43Å; F55-F59 PolarHBondContact O-N 3.34Å
56L67.3Low71.7Confident131 Ų13178.7 Ų78.769%0.68639%0.39SS*.Hα-helixtrans-61.8-39.6-178.1-150.783.4000112.4D53 G60D53-L56 HydrophobicContact CB-CB 3.84Å; D53-L56 PolarHBondContact O-N 2.82Å; D53-L56 PolarHBondContact OD1-N 2.89Å; L56-G60 VanDerWaalsContact O-CA 3.31Å; L56-G60 WeakPolarHBondContact O-CA 3.39Å; L56-G60 PolarHBondContact O-N 2.99Å
57K66Low71.5Confident124 Ų12482.7 Ų82.754%0.53941%0.409SS..Hα-helixtrans-63.9-43.3178.3-173.7176.6-177.6172.60112.5D53 F55D53-K57 WeakPolarHBondContact O-CB 3.23Å; D53-K57 PolarHBondContact O-N 3.38Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 3.38Å
58H61.1Low71.3Confident88 Ų8884.8 Ų84.841%0.40742%0.42SS..Hα-helixtrans-85.2-41.6-178.6-75.3-53000112.7I15 L54 F55 L62I15-H58 HydrophobicContact CD1-CB 4.34Å; I15-H58 HydrophobicContact CG1-CB 4.42Å; L54-H58 WeakPolarHBondContact O-CB 3.48Å; L54-H58 PolarHBondContact O-CD2 3.04Å; L54-H58 PolarHBondContact O-N 3.36Å; L54-H58 VanDerWaalsContact O-N 3.1Å; F55-H58 PolarHBondContact O-N 3.12Å; H58-L62 WeakPolarHBondContact O-CD1 3.32Å
59F64.1Low71.4Confident22 Ų2286.6 Ų86.610%0.09644%0.436CS..Hα-helixtrans-76.1-31.6179.1-79.4-92.2000113.2F11 I15 F55 E61 L62 F63F11-F59 HydrophobicContact CB-CE1 4.08Å; F11-F59 HydrophobicContact CB-CE2 4.25Å; F11-F59 HydrophobicContact CB-CZ 3.54Å; F11-F59 HydrophobicContact CG-CE1 4.45Å; F11-F59 HydrophobicContact CG-CZ 4.34Å; I15-F59 HydrophobicContact CD1-CD2 3.85Å; I15-F59 HydrophobicContact CD1-CE2 3.45Å; I15-F59 VanDerWaalsContact CD1-CE2 3.45Å; F55-F59 HydrophobicContact CB-CD2 4.39Å; F55-F59 HydrophobicContact CD1-CB 4.25Å; F55-F59 AromaticContact CD1-CD2 3.29Å; F55-F59 HydrophobicContact CD1-CD2 3.29Å; F55-F59 AromaticContact CD1-CE2 3.69Å; F55-F59 HydrophobicContact CD1-CE2 3.69Å; F55-F59 AromaticContact CD1-CG 3.77Å; F55-F59 HydrophobicContact CD1-CG 3.77Å; F55-F59 HydrophobicContact CD1-CZ 4.44Å; F55-F59 AromaticContact CD2-CD2 3.84Å; F55-F59 HydrophobicContact CD2-CD2 3.84Å; F55-F59 AromaticContact CD2-CE2 3.61Å; F55-F59 HydrophobicContact CD2-CE2 3.61Å; F55-F59 HydrophobicContact CE1-CB 4.49Å; F55-F59 AromaticContact CE1-CD1 3.98Å; F55-F59 HydrophobicContact CE1-CD1 3.98Å; F55-F59 AromaticContact CE1-CD2 3.29Å; F55-F59 HydrophobicContact CE1-CD2 3.29Å; F55-F59 AromaticContact CE1-CE1 3.95Å; F55-F59 HydrophobicContact CE1-CE1 3.95Å; F55-F59 AromaticContact CE1-CE2 3.27Å; F55-F59 HydrophobicContact CE1-CE2 3.27Å; F55-F59 AromaticContact CE1-CG 3.65Å; F55-F59 HydrophobicContact CE1-CG 3.65Å; F55-F59 AromaticContact CE1-CZ 3.6Å; F55-F59 HydrophobicContact CE1-CZ 3.6Å; F55-F59 AromaticContact CE2-CD2 3.79Å; F55-F59 HydrophobicContact CE2-CD2 3.79Å; F55-F59 AromaticContact CE2-CE2 3.14Å; F55-F59 HydrophobicContact CE2-CE2 3.14Å; F55-F59 AromaticContact CE2-CZ 3.75Å; F55-F59 HydrophobicContact CE2-CZ 3.75Å; F55-F59 AromaticContact CG-CD2 3.59Å; F55-F59 HydrophobicContact CG-CD2 3.59Å; F55-F59 AromaticContact CG-CE2 3.86Å; F55-F59 HydrophobicContact CG-CE2 3.86Å; F55-F59 HydrophobicContact CG-CG 4.47Å; F55-F59 HydrophobicContact CZ-CD1 4.42Å; F55-F59 AromaticContact CZ-CD2 3.56Å; F55-F59 HydrophobicContact CZ-CD2 3.56Å; F55-F59 AromaticContact CZ-CE1 3.95Å; F55-F59 HydrophobicContact CZ-CE1 3.95Å; F55-F59 AromaticContact CZ-CE2 2.98Å; F55-F59 HydrophobicContact CZ-CE2 2.98Å; F55-F59 HydrophobicContact CZ-CG 4.24Å; F55-F59 AromaticContact CZ-CZ 3.2Å; F55-F59 HydrophobicContact CZ-CZ 3.2Å; F55-F59 WeakPolarHBondContact O-CA 3.36Å; F55-F59 WeakPolarHBondContact O-CB 3.45Å; F55-F59 WeakPolarHBondContact O-CD2 3.43Å; F55-F59 PolarHBondContact O-N 3.34Å; F59-E61 PolarHBondContact O-N 3.46Å; F59-L62 PolarHBondContact O-N 3.47Å; F59-F63 HydrophobicContact CB-CD2 4.13Å; F59-F63 HydrophobicContact CD1-CD2 4.12Å; F59-F63 AromaticContact CD1-CE2 3.87Å; F59-F63 HydrophobicContact CD1-CE2 3.87Å; F59-F63 WeakPolarHBondContact O-CB 3.03Å; F59-F63 WeakPolarHBondContact O-CD2 3.1Å; F59-F63 PolarHBondContact O-N 2.7Å
60G65.6Low71.5Confident34 Ų3484.7 Ų84.735%0.35143%0.426SS..Hα-helixtrans-59.6-46.7-178.800000112.4L56 R64L56-G60 VanDerWaalsContact O-CA 3.31Å; L56-G60 WeakPolarHBondContact O-CA 3.39Å; L56-G60 PolarHBondContact O-N 2.99Å; G60-R64 WeakPolarHBondContact O-CB 3.33Å; G60-R64 PolarHBondContact O-N 3Å
61E66.6Low71.5Confident113 Ų11384.2 Ų84.253%0.52841%0.414SS..Hα-helixtrans-64-42.4174.8-84-91.6133.400112.5F59 R64 K65F59-E61 PolarHBondContact O-N 3.46Å; E61-R64 PolarHBondContact O-N 3.26Å; E61-K65 PolarHBondContact O-N 3.5Å
62L64.1Low71.7Confident68 Ų6888.1 Ų88.136%0.35642%0.419SS..Hα-helixtrans-70-43.6-178.5-90.9157.9000112.7F11 H58 F59 R64 K65 R66F11-L62 HydrophobicContact CD1-CD1 3.61Å; F11-L62 HydrophobicContact CE1-CD1 3.22Å; F11-L62 HydrophobicContact CE1-CD2 3.86Å; F11-L62 HydrophobicContact CE1-CG 4.19Å; F11-L62 HydrophobicContact CZ-CD1 3.86Å; F11-L62 HydrophobicContact CZ-CD2 3.75Å; F11-L62 HydrophobicContact CZ-CG 4.43Å; H58-L62 WeakPolarHBondContact O-CD1 3.32Å; F59-L62 PolarHBondContact O-N 3.47Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 2.78Å; L62-K65 PolarHBondContact O-N 3.48Å; L62-R66 WeakPolarHBondContact O-CB 3.37Å; L62-R66 PolarHBondContact O-N 3.48Å
63F67.2Low71.8Confident132 Ų13294.9 Ų94.958%0.57944%0.436SS*.Hα-helixtrans-60.5-43.7172.2-95.6-81.8000110.3F59 K65 R66 E67F59-F63 HydrophobicContact CB-CD2 4.13Å; F59-F63 HydrophobicContact CD1-CD2 4.12Å; F59-F63 AromaticContact CD1-CE2 3.87Å; F59-F63 HydrophobicContact CD1-CE2 3.87Å; F59-F63 WeakPolarHBondContact O-CB 3.03Å; F59-F63 WeakPolarHBondContact O-CD2 3.1Å; F59-F63 PolarHBondContact O-N 2.7Å; F63-K65 PolarHBondContact O-N 2.87Å; F63-R66 PolarHBondContact O-N 3.04Å; F63-E67 VanDerWaalsContact O-CB 3.23Å; F63-E67 WeakPolarHBondContact O-CB 3.45Å; F63-E67 PolarHBondContact O-N 3.42Å
64R70.8Confident71.7Confident155 Ų15599.6 Ų99.659%0.58545%0.454SS*.Hα-helixtrans-59.3-48.6175.7-116-178.567.3145.8-1.1112.7G60 E61 L62 E67 Q68G60-R64 WeakPolarHBondContact O-CB 3.33Å; G60-R64 PolarHBondContact O-N 3Å; E61-R64 PolarHBondContact O-N 3.26Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 2.78Å; R64-E67 PolarHBondContact O-N 2.89Å; R64-Q68 WeakPolarHBondContact O-CB 3.38Å; R64-Q68 WeakPolarHBondContact O-CG 3.28Å; R64-Q68 PolarHBondContact O-N 3.25Å
65K73.4Confident72.1Confident130 Ų130103.6 Ų103.657%0.56547%0.473SS*.Hα-helixtrans-64.4-41.3-180-80.4-179.1-178.8171.90111.7E61 L62 F63 Q68 A69E61-K65 PolarHBondContact O-N 3.5Å; L62-K65 PolarHBondContact O-N 3.48Å; F63-K65 PolarHBondContact O-N 2.87Å; K65-Q68 PolarHBondContact O-N 3.46Å; K65-A69 WeakPolarHBondContact O-CB 3.43Å; K65-A69 PolarHBondContact O-N 2.88Å
66R67.9Low72.3Confident94 Ų94103.3 Ų103.336%0.35548%0.483SS..Hα-helixtrans-65.2-47.7176.5-179.5177.3171.9167.1-2111.2F3 L62 F63 Q68 A69 E70F3-R66 VanDerWaalsContact CE1-NH1 3.26Å; L62-R66 WeakPolarHBondContact O-CB 3.37Å; L62-R66 PolarHBondContact O-N 3.48Å; F63-R66 PolarHBondContact O-N 3.04Å; R66-Q68 VanDerWaalsContact C-N 3.27Å; R66-Q68 PolarHBondContact O-N 2.91Å; R66-A69 PolarHBondContact O-N 3.49Å; R66-A69 VanDerWaalsContact O-N 3.1Å; R66-E70 IonicContact NE-OE2 3.66Å; R66-E70 WeakPolarHBondContact O-CB 3.23Å; R66-E70 PolarHBondContact O-N 3.44Å
67E75.7Confident72.7Confident105 Ų10599.4 Ų99.449%0.49147%0.47SS..Hα-helixtrans-59.9-41178.4-162.2-166.1-174.300110.7F63 R64 E70 R71F63-E67 VanDerWaalsContact O-CB 3.23Å; F63-E67 WeakPolarHBondContact O-CB 3.45Å; F63-E67 PolarHBondContact O-N 3.42Å; R64-E67 PolarHBondContact O-N 2.89Å; E67-E70 PolarHBondContact O-N 2.81Å; E67-R71 VanDerWaalsContact O-CB 3.23Å; E67-R71 WeakPolarHBondContact O-CB 3.33Å; E67-R71 PolarHBondContact O-N 2.9Å; E67-R71 IonicContact OE1-CZ 3.97Å; E67-R71 IonicContact OE1-NH2 2.78Å; E67-R71 PolarHBondContact OE1-NH2 3.07Å; E67-R71 IonicContact OE2-NH2 3.42Å; E67-R71 PolarHBondContact OE2-NH2 3.28Å
68Q79Confident72.9Confident90 Ų9099.1 Ų99.142%0.42147%0.47SS..Hα-helixtrans-62.7-44.6172.3-81.3-176.3-29.200112.9R64 K65 R66 E70 R71 Q72R64-Q68 WeakPolarHBondContact O-CB 3.38Å; R64-Q68 WeakPolarHBondContact O-CG 3.28Å; R64-Q68 PolarHBondContact O-N 3.25Å; K65-Q68 PolarHBondContact O-N 3.46Å; R66-Q68 VanDerWaalsContact C-N 3.27Å; R66-Q68 PolarHBondContact O-N 2.91Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; Q68-E70 PolarHBondContact O-N 3.39Å; Q68-R71 PolarHBondContact O-N 2.89Å; Q68-Q72 WeakPolarHBondContact O-CB 3.41Å; Q68-Q72 WeakPolarHBondContact O-CG 3.33Å; Q68-Q72 PolarHBondContact O-N 3.36Å
69A76.6Confident73.1Confident47 Ų47104.1 Ų104.139%0.38849%0.485SS..Hα-helixtrans-65.3-37.4178.500000112K65 R66 Q72 R73K65-A69 WeakPolarHBondContact O-CB 3.43Å; K65-A69 PolarHBondContact O-N 2.88Å; R66-A69 PolarHBondContact O-N 3.49Å; R66-A69 VanDerWaalsContact O-N 3.1Å; A69-Q72 PolarHBondContact O-N 3Å; A69-R73 WeakPolarHBondContact O-CB 3.37Å; A69-R73 WeakPolarHBondContact O-CG 3.45Å; A69-R73 PolarHBondContact O-N 2.93Å
70E77.4Confident72.8Confident90 Ų90113.1 Ų113.142%0.42152%0.519SS..Hα-helixtrans-71.1-39.1178.1-152.5154.3-165.300110.7R66 E67 Q68 R73 K74R66-E70 IonicContact NE-OE2 3.66Å; R66-E70 WeakPolarHBondContact O-CB 3.23Å; R66-E70 PolarHBondContact O-N 3.44Å; E67-E70 PolarHBondContact O-N 2.81Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; Q68-E70 PolarHBondContact O-N 3.39Å; E70-R73 PolarHBondContact O-N 3.1Å; E70-K74 WeakPolarHBondContact O-CB 3.32Å; E70-K74 PolarHBondContact O-N 3.28Å
71R79.5Confident72.4Confident121 Ų121113.8 Ų113.846%0.45751%0.514SS..Hα-helixtrans-63.1-45172-154.1177.1-71.8144-3.3111.3E67 Q68 R73 K74 E75E67-R71 VanDerWaalsContact O-CB 3.23Å; E67-R71 WeakPolarHBondContact O-CB 3.33Å; E67-R71 PolarHBondContact O-N 2.9Å; E67-R71 IonicContact OE1-CZ 3.97Å; E67-R71 IonicContact OE1-NH2 2.78Å; E67-R71 PolarHBondContact OE1-NH2 3.07Å; E67-R71 IonicContact OE2-NH2 3.42Å; E67-R71 PolarHBondContact OE2-NH2 3.28Å; Q68-R71 PolarHBondContact O-N 2.89Å; R71-R73 PolarHBondContact O-N 3.43Å; R71-K74 PolarHBondContact O-N 2.91Å; R71-E75 WeakPolarHBondContact O-CG 3.49Å; R71-E75 PolarHBondContact O-N 3.18Å
72Q81.1Confident71.9Confident133 Ų133110.8 Ų110.862%0.62150%0.503SS*.Hα-helixtrans-62.2-40.8174-77.8-179.1-0.200112.7Q68 A69 K74 E75 A76Q68-Q72 WeakPolarHBondContact O-CB 3.41Å; Q68-Q72 WeakPolarHBondContact O-CG 3.33Å; Q68-Q72 PolarHBondContact O-N 3.36Å; A69-Q72 PolarHBondContact O-N 3Å; Q72-K74 VanDerWaalsContact C-N 3.35Å; Q72-E75 PolarHBondContact O-N 3.45Å; Q72-A76 VanDerWaalsContact O-CB 3.28Å; Q72-A76 WeakPolarHBondContact O-CB 3.46Å; Q72-A76 PolarHBondContact O-N 3.36Å
73R79Confident71.6Confident203 Ų203114.1 Ų114.177%0.76652%0.515SS*.Hα-helixtrans-63-42.7175-82.8-178.1170.2-177.1-2.5111.7A69 E70 R71 A76 A77A69-R73 WeakPolarHBondContact O-CB 3.37Å; A69-R73 WeakPolarHBondContact O-CG 3.45Å; A69-R73 PolarHBondContact O-N 2.93Å; E70-R73 PolarHBondContact O-N 3.1Å; R71-R73 PolarHBondContact O-N 3.43Å; R73-A76 PolarHBondContact O-N 2.92Å; R73-A77 WeakPolarHBondContact O-CB 3.38Å; R73-A77 PolarHBondContact O-N 3.36Å
74K79.2Confident71Confident138 Ų138112.8 Ų112.860%0.651%0.513SS*.Hα-helixtrans-64.3-45.4177.9-166.4176.4178.4-178.20111.5E70 R71 Q72 A76 A77 E78E70-K74 WeakPolarHBondContact O-CB 3.32Å; E70-K74 PolarHBondContact O-N 3.28Å; R71-K74 PolarHBondContact O-N 2.91Å; Q72-K74 VanDerWaalsContact C-N 3.35Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.09Å; K74-A77 PolarHBondContact O-N 2.9Å; K74-E78 WeakPolarHBondContact O-CG 3.49Å; K74-E78 PolarHBondContact O-N 3.32Å
75E80.8Confident70.4Confident91 Ų91107.8 Ų107.843%0.42550%0.498SS..Hα-helixtrans-63-38.6175.1-72.7174-162.200112.5R71 Q72 R79R71-E75 WeakPolarHBondContact O-CG 3.49Å; R71-E75 PolarHBondContact O-N 3.18Å; Q72-E75 PolarHBondContact O-N 3.45Å; E75-R79 WeakPolarHBondContact O-CB 3.44Å; E75-R79 WeakPolarHBondContact O-CG 3.42Å; E75-R79 PolarHBondContact O-N 2.8Å
76A76.6Confident69.7Low60 Ų60113.1 Ų113.150%0.49652%0.515SS..Hα-helixtrans-67.7-38.3176.300000112.3Q72 R73 K74 R80Q72-A76 VanDerWaalsContact O-CB 3.28Å; Q72-A76 WeakPolarHBondContact O-CB 3.46Å; Q72-A76 PolarHBondContact O-N 3.36Å; R73-A76 PolarHBondContact O-N 2.92Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.09Å; A76-R80 PolarHBondContact O-N 3.46Å; A76-R80 VanDerWaalsContact O-N 3.14Å
77A75.5Confident69.5Low50 Ų50114.9 Ų114.941%0.41354%0.536SS..Hα-helixtrans-65.4-46.2174.200000111.2R73 K74 R79 R80 N81R73-A77 WeakPolarHBondContact O-CB 3.38Å; R73-A77 PolarHBondContact O-N 3.36Å; K74-A77 PolarHBondContact O-N 2.9Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.02Å; A77-R80 WeakPolarHBondContact O-CB 3.43Å; A77-R80 PolarHBondContact O-N 3.39Å; A77-N81 PolarHBondContact O-N 3.42Å
78E69.3Low68.9Low117 Ų117114.2 Ų114.255%0.54754%0.539SS..Hα-helixtrans-60.6-39.7176.8-77.1176.8-171.500112.3K74 R80 N81K74-E78 WeakPolarHBondContact O-CG 3.49Å; K74-E78 PolarHBondContact O-N 3.32Å; E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 3.26Å; E78-N81 PolarHBondContact O-N 3.14Å
79R65.8Low68Low193 Ų193112.5 Ų112.573%0.72855%0.545SS*.Hα-helixtrans-67.1-28.1174.6-74.3178.6-176.1172.15.6113.2E75 A77 N81E75-R79 WeakPolarHBondContact O-CB 3.44Å; E75-R79 WeakPolarHBondContact O-CG 3.42Å; E75-R79 PolarHBondContact O-N 2.8Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.02Å; R79-N81 VanDerWaalsContact C-N 3.34Å
80R58.6Low66.9Low212 Ų212114.2 Ų114.280%0.855%0.552SS**Hα-helixtrans-75.2-25.5179.5-147178.1-172.71800.7112.5A76 A77 E78 V82A76-R80 PolarHBondContact O-N 3.46Å; A76-R80 VanDerWaalsContact O-N 3.14Å; A77-R80 WeakPolarHBondContact O-CB 3.43Å; A77-R80 PolarHBondContact O-N 3.39Å; E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 3.26Å; R80-V82 VanDerWaalsContact C-N 3.27Å; R80-V82 PolarHBondContact O-N 2.89Å
81N56.9Low65.8Low47 Ų47115.2 Ų115.225%0.25156%0.559SS.*THydrogen-bonded Turntrans-84.51.9178.8-70.7-11.1000114A77 E78 R79 L94 D96A77-N81 PolarHBondContact O-N 3.42Å; E78-N81 PolarHBondContact O-N 3.14Å; R79-N81 VanDerWaalsContact C-N 3.34Å; N81-L94 PolarHBondContact O-N 2.98Å; N81-D96 PolarHBondContact ND2-OD1 3.02Å
82V56.3Low64.9Low50 Ų50113.2 Ų113.230%0.30356%0.556SS.*EExtended strand (participates in β ladder)trans-103.3100.9174.4-179.70000108.6R80 L91 R93R80-V82 VanDerWaalsContact C-N 3.27Å; R80-V82 PolarHBondContact O-N 2.89Å; V82-L91 HydrophobicContact CG1-CB 4.4Å; V82-L91 HydrophobicContact CG1-CD2 3.24Å; V82-L91 HydrophobicContact CG1-CG 3.66Å; V82-R93 HydrophobicContact CG2-CG 4.42Å
83K57.2Low63.8Low139 Ų139117 Ų11760%0.60457%0.565SS**EExtended strand (participates in β ladder)trans-98.1125.1166.4-75.2-176.8179.7172.20108.5I92 L94K83-I92 PolarHBondContact N-O 2.82Å; K83-I92 VanDerWaalsContact N-O 3.17Å; K83-I92 PolarHBondContact O-N 3.06Å; K83-L94 HydrophobicContact CD-CD1 4.17Å
84L54.9Low62.7Low104 Ų104111.4 Ų111.455%0.54555%0.55SS..EExtended strand (participates in β ladder)trans-79.3117.8170.2-168.184000107.9R86 L91L84-R86 PolarHBondContact O-N 3.33Å; L84-L91 HydrophobicContact CD1-CD1 3.69Å; L84-L91 HydrophobicContact CD1-CG 4.22Å
85D57.5Low61.4Low50 Ų50109.8 Ų109.827%0.26755%0.553SS.*  trans-71.9112.2169.1-177.7-10.4000108.6T87 T88 G89 T90 I92D85-T87 PolarHBondContact O-N 3.15Å; D85-T87 VanDerWaalsContact OD1-CB 3.31Å; D85-T87 WeakPolarHBondContact OD1-CB 3.41Å; D85-T87 PolarHBondContact OD1-N 3.37Å; D85-T87 PolarHBondContact OD1-OG1 2.99Å; D85-T88 WeakPolarHBondContact CB-OG1 3.31Å; D85-T88 PolarHBondContact OD2-OG1 2.87Å; D85-G89 WeakPolarHBondContact O-CA 3.46Å; D85-G89 PolarHBondContact O-N 3.26Å; D85-T90 PolarHBondContact N-O 3.24Å; D85-T90 VanDerWaalsContact N-O 3.15Å; D85-I92 HydrophobicContact CB-CD1 3.89Å; D85-I92 HydrophobicContact CB-CG1 4.38Å
86R58Low60.1Low242 Ų242111.5 Ų111.591%0.91357%0.566SS**THydrogen-bonded Turntrans-69-13.6-178.5-79.3-177168.6168.8-3.6113.7L84L84-R86 PolarHBondContact O-N 3.33Å
87T64.5Low58.8Low130 Ų130115.1 Ų115.180%0.79858%0.576SS**THydrogen-bonded Turntrans-89-32.9-177.2-19.60000111.6D85D85-T87 PolarHBondContact O-N 3.15Å; D85-T87 VanDerWaalsContact OD1-CB 3.31Å; D85-T87 WeakPolarHBondContact OD1-CB 3.41Å; D85-T87 PolarHBondContact OD1-N 3.37Å; D85-T87 PolarHBondContact OD1-OG1 2.99Å
88T63.4Low57.5Low92 Ų92116 Ų11656%0.56458%0.579SS**THydrogen-bonded Turntrans-114.8-13.9-176.250.20000113.9D85 T90D85-T88 WeakPolarHBondContact CB-OG1 3.31Å; D85-T88 PolarHBondContact OD2-OG1 2.87Å; T88-T90 PolarHBondContact O-N 2.75Å
89G59.6Low56.6Low53 Ų53117.9 Ų117.955%0.54659%0.593SS.*  trans74.83.2-176.400000114.2D85D85-G89 WeakPolarHBondContact O-CA 3.46Å; D85-G89 PolarHBondContact O-N 3.26Å
90T53.4Low56Low84 Ų84116.7 Ų116.752%0.51560%0.596SS.*  trans-87.6135.2-175.5-47.80000111.1D85 T88 I92D85-T90 PolarHBondContact N-O 3.24Å; D85-T90 VanDerWaalsContact N-O 3.15Å; T88-T90 PolarHBondContact O-N 2.75Å; T90-I92 PolarHBondContact O-N 3.17Å
91L55.3Low55.7Low110 Ų110111.4 Ų111.458%0.57658%0.583SS**EExtended strand (participates in β ladder)trans-72115.4169.5-98.589.7000109.6V82 L84V82-L91 HydrophobicContact CG1-CB 4.4Å; V82-L91 HydrophobicContact CG1-CD2 3.24Å; V82-L91 HydrophobicContact CG1-CG 3.66Å; L84-L91 HydrophobicContact CD1-CD1 3.69Å; L84-L91 HydrophobicContact CD1-CG 4.22Å
92I60.2Low55.4Low79 Ų79114.8 Ų114.841%0.40561%0.605SS.*EExtended strand (participates in β ladder)trans-96.7112.7171.7-52.5178.5000107.7K83 D85 T90K83-I92 PolarHBondContact N-O 2.82Å; K83-I92 VanDerWaalsContact N-O 3.17Å; K83-I92 PolarHBondContact O-N 3.06Å; D85-I92 HydrophobicContact CB-CD1 3.89Å; D85-I92 HydrophobicContact CB-CG1 4.38Å; T90-I92 PolarHBondContact O-N 3.17Å
93R57.5Low55.1Low213 Ų213117 Ų11780%0.80462%0.623SS**EExtended strand (participates in β ladder)trans-81.5110.4166-72.9-171.2178.1-154.1-1.1107.6V82V82-R93 HydrophobicContact CG2-CG 4.42Å
94L56.6Low54.6Low85 Ų85117.7 Ų117.745%0.44563%0.634SS.*  trans-76.1134.2171.8-74.8163.4000108.7N81 K83N81-L94 PolarHBondContact O-N 2.98Å; K83-L94 HydrophobicContact CD-CD1 4.17Å
95P51.7Low54.1Low104 Ų104120.5 Ų120.568%0.67565%0.648SS**  trans-59.9139.2171.8-13.626.8000109.1L97P95-L97 PolarHBondContact O-N 2.96Å
96D52.7Low53.4Low127 Ų127128 Ų12868%0.67970%0.696SS**  trans-61.9105.5167.9-105.6-18.9000107.3N81 S98N81-D96 PolarHBondContact ND2-OD1 3.02Å; D96-S98 PolarHBondContact O-N 3.07Å
97L49Very low53.2Low137 Ų137122.3 Ų122.372%0.71769%0.685SS**  trans-72.398.9166.3-66.8170.6000106P95 D101P95-L97 PolarHBondContact O-N 2.96Å; L97-D101 HydrophobicContact CD2-CB 4.46Å
98S48.6Very low52.6Low69 Ų69121.9 Ų121.948%0.48368%0.679SS.*  trans-61.1145.116253.60000108.9D96 E100 D101D96-S98 PolarHBondContact O-N 3.07Å; S98-E100 PolarHBondContact O-N 3.16Å; S98-D101 PolarHBondContact O-N 2.78Å; S98-D101 VanDerWaalsContact O-N 3.16Å
99D50.7Low52Low156 Ų156123.6 Ų123.683%0.83469%0.686SS**G310 helixtrans-53.7-7.6179.9-70.1-38.2000115
100E53.5Low51.5Low167 Ų167127.7 Ų127.778%0.7869%0.694SS**G310 helixtrans-70.2-23.4175.3-68.7-99.4132.900114S98 V102S98-E100 PolarHBondContact O-N 3.16Å; E100-V102 PolarHBondContact O-N 3.46Å
101D51.6Low51.4Low102 Ų102130.4 Ų130.455%0.54571%0.705SS.*G310 helixtrans-85.9-4.1-173-73.6-38.3000114.9L97 S98 S103L97-D101 HydrophobicContact CD2-CB 4.46Å; S98-D101 PolarHBondContact O-N 2.78Å; S98-D101 VanDerWaalsContact O-N 3.16Å; D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 PolarHBondContact O-N 3.41Å
102V51.2Low51.2Low117 Ų117131.8 Ų131.871%0.70971%0.714SS**G310 helixtrans-81.4-6.2-178.7-1700000112.3E100E100-V102 PolarHBondContact O-N 3.46Å
103S50.9Low50.5Low97 Ų97135.6 Ų135.668%0.67874%0.736SS**G310 helixtrans-89.6-3.9-173.2-60.70000115.8D101D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 PolarHBondContact O-N 3.41Å
104N45.7Very low50Low154 Ų154129.6 Ų129.682%0.82473%0.73SS**G310 helixtrans-117.822.4-176.2-82.3-12.9000114.9
105L43.5Very low49.4Very low162 Ų162133.3 Ų133.385%0.84875%0.754SS**  trans-124.859.5173.2-118.699.2000111.9
106T43.9Very low49.2Very low208 Ų208136 Ų136100%1.27676%0.761SS**  trans-148.40159.312.90000110.5

Retrieved 106 of 106 residues in 59.5 ms (Link to these results)