A0A087YD59_POEFO Loading...

Adapter molecule crk

AlphaFold DB , UniProt , Accession A0A087YD59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 295 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low66.4Low208 Ų208100.6 Ų100.6100%1.02552%0.517SS*.  0113.30-140.8151.8-149.900105
2A39.2Very low67.1Low80 Ų8096.6 Ų96.666%0.66150%0.504SS*.  trans-79.6130.7-176.900000108.8H4A2-H4 PolarHBondContact O-N 2.88Å
3G53.9Low68.4Low11 Ų1189.4 Ų89.411%0.11347%0.466CS..  trans-59.4118.1-179.400000112.1F5 L107 C108G3-F5 VanDerWaalsContact C-N 3.33Å; G3-F5 PolarHBondContact O-N 3.27Å; G3-L107 WeakPolarHBondContact CA-O 3.38Å; G3-C108 CarbonylContact C-O 3.5Å; G3-C108 VanDerWaalsContact CA-O 3.26Å; G3-C108 WeakPolarHBondContact CA-O 3.1Å
4H63.3Low69.6Low184 Ų18486.2 Ų86.285%0.85245%0.446SS*.  trans-9658.9-176.8-170.7-77.5000109.8A2 C108A2-H4 PolarHBondContact O-N 2.88Å; H4-C108 PolarHBondContact N-O 3.17Å; H4-C108 VanDerWaalsContact N-O 3.09Å
5F72.7Confident70.5Confident13 Ų1384.2 Ų84.26%0.05743%0.43CS..SBendtrans-137.6148176.971.4-91.2000112.7G3 A7 F35 L94 K98 L107 C108 P110G3-F5 VanDerWaalsContact C-N 3.33Å; G3-F5 PolarHBondContact O-N 3.27Å; F5-A7 HydrophobicContact CD2-CB 4.47Å; F5-A7 HydrophobicContact CE2-CB 3.97Å; F5-A7 PolarHBondContact O-N 2.79Å; F5-F35 AromaticContact CD1-CE1 3.66Å; F5-F35 HydrophobicContact CD1-CE1 3.66Å; F5-F35 HydrophobicContact CD1-CZ 4.08Å; F5-F35 HydrophobicContact CD2-CE1 4.11Å; F5-F35 AromaticContact CD2-CZ 3.66Å; F5-F35 HydrophobicContact CD2-CZ 3.66Å; F5-F35 HydrophobicContact CE1-CD1 4.46Å; F5-F35 AromaticContact CE1-CE1 3.38Å; F5-F35 HydrophobicContact CE1-CE1 3.38Å; F5-F35 AromaticContact CE1-CZ 3.76Å; F5-F35 HydrophobicContact CE1-CZ 3.76Å; F5-F35 AromaticContact CE2-CE1 3.91Å; F5-F35 HydrophobicContact CE2-CE1 3.91Å; F5-F35 HydrophobicContact CE2-CE2 4.37Å; F5-F35 AromaticContact CE2-CZ 3.35Å; F5-F35 HydrophobicContact CE2-CZ 3.35Å; F5-F35 HydrophobicContact CG-CE1 4.01Å; F5-F35 HydrophobicContact CG-CZ 4.03Å; F5-F35 AromaticContact CZ-CE1 3.53Å; F5-F35 HydrophobicContact CZ-CE1 3.53Å; F5-F35 HydrophobicContact CZ-CE2 4.45Å; F5-F35 AromaticContact CZ-CZ 3.39Å; F5-F35 HydrophobicContact CZ-CZ 3.39Å; F5-L94 HydrophobicContact CE2-CB 3.88Å; F5-L94 HydrophobicContact CE2-CD1 4.46Å; F5-L94 HydrophobicContact CZ-CB 4.05Å; F5-K98 HydrophobicContact CD1-CG 4.34Å; F5-K98 HydrophobicContact CE1-CD 4.08Å; F5-K98 HydrophobicContact CE1-CG 3.45Å; F5-K98 VanDerWaalsContact CE1-CG 3.45Å; F5-K98 HydrophobicContact CZ-CD 4.1Å; F5-K98 HydrophobicContact CZ-CG 3.57Å; F5-K98 WeakPolarHBondContact O-CE 3.12Å; F5-K98 PolarHBondContact O-NZ 2.8Å; F5-L107 HydrophobicContact CE1-CB 3.74Å; F5-L107 HydrophobicContact CZ-CB 3.98Å; F5-L107 HydrophobicContact CZ-CD1 4.26Å; F5-C108 WeakPolarHBondContact CD1-O 3.49Å; F5-P110 HydrophobicContact CB-CG 4.18Å
6D77.6Confident71.3Confident123 Ų12379.8 Ų79.866%0.65841%0.412SS*.  trans-81.2108.1175.4-64.8-77.8000110E8 D9D6-E8 PolarHBondContact O-N 2.97Å; D6-D9 HydrophobicContact CB-CB 4Å; D6-D9 PolarHBondContact O-N 2.81Å
7A78.5Confident71.6Confident4 Ų488.6 Ų88.63%0.03344%0.439CS..SBendtrans-70.7-23.1-179.900000112.1F5 D9 W13 P91 L94 E95F5-A7 HydrophobicContact CD2-CB 4.47Å; F5-A7 HydrophobicContact CE2-CB 3.97Å; F5-A7 PolarHBondContact O-N 2.79Å; A7-D9 VanDerWaalsContact C-N 3.34Å; A7-W13 PolarHBondContact O-NE1 3.23Å; A7-P91 HydrophobicContact CB-CB 4.19Å; A7-P91 WeakPolarHBondContact CB-O 2.96Å; A7-P91 VanDerWaalsContact O-CB 3.29Å; A7-P91 WeakPolarHBondContact O-CB 3.17Å; A7-P91 WeakPolarHBondContact O-CG 3.45Å; A7-L94 HydrophobicContact CB-CB 4.13Å; A7-E95 HydrophobicContact CB-CB 4.39Å
8E76.8Confident72.1Confident176 Ų17684.4 Ų84.482%0.82242%0.418SS*.SBendtrans-76.1-23.1175.6-61.2-161.594.800112.7D6 R10D6-E8 PolarHBondContact O-N 2.97Å; E8-R10 VanDerWaalsContact C-N 3.25Å; E8-R10 PolarHBondContact O-N 3.39Å
9D77.3Confident72.5Confident72 Ų7282.9 Ų82.939%0.38542%0.417SS..  trans-7880.2178.7-165.9-89.5000110.3D6 A7 D11 S12 W13D6-D9 HydrophobicContact CB-CB 4Å; D6-D9 PolarHBondContact O-N 2.81Å; A7-D9 VanDerWaalsContact C-N 3.34Å; D9-D11 PolarHBondContact O-N 3.05Å; D9-D11 VanDerWaalsContact O-N 3.13Å; D9-S12 WeakPolarHBondContact O-CB 3.47Å; D9-S12 PolarHBondContact O-N 2.82Å; D9-S12 WeakPolarHBondContact OD1-CB 3.31Å; D9-S12 PolarHBondContact OD1-N 2.88Å; D9-S12 PolarHBondContact OD1-OG 3.47Å; D9-W13 PolarHBondContact O-NE1 3.48Å
10R76.8Confident72.8Confident116 Ų11686.8 Ų86.844%0.43843%0.426SS..Hα-helixtrans-52.9-36-179.3-175.8175175.5144.70.6111.7E8 S12 W13 Y14E8-R10 VanDerWaalsContact C-N 3.25Å; E8-R10 PolarHBondContact O-N 3.39Å; R10-S12 VanDerWaalsContact C-N 3.26Å; R10-S12 PolarHBondContact O-N 3.18Å; R10-W13 HydrophobicContact CB-CH2 4.49Å; R10-W13 HydrophobicContact CB-CZ2 4.01Å; R10-W13 HydrophobicContact CG-CH2 4.01Å; R10-W13 HydrophobicContact CG-CZ2 4.03Å; R10-Y14 HydrophobicContact CG-CD1 4.25Å; R10-Y14 HydrophobicContact CG-CG 4.12Å; R10-Y14 WeakPolarHBondContact O-CA 3.41Å; R10-Y14 WeakPolarHBondContact O-CB 3.36Å; R10-Y14 PolarHBondContact O-N 2.7Å
11D74.4Confident73Confident120 Ų12090.3 Ų90.364%0.64244%0.442SS*.Hα-helixtrans-71-19.4-179.2-131.7-70.8000113.2D9 K113D9-D11 PolarHBondContact O-N 3.05Å; D9-D11 VanDerWaalsContact O-N 3.13Å; D11-K113 VanDerWaalsContact O-CD 3.29Å; D11-K113 WeakPolarHBondContact O-CD 3.4Å; D11-K113 WeakPolarHBondContact O-CE 3.29Å; D11-K113 PolarHBondContact O-NZ 3.39Å; D11-K113 IonicContact OD1-NZ 3.81Å; D11-K113 PolarHBondContact OD1-NZ 3.3Å
12S75.5Confident74.8Confident52 Ų5284.9 Ų84.936%0.36441%0.414SS..Hα-helixtrans-74.6-42.8175.9-69.40000112.2D9 R10D9-S12 WeakPolarHBondContact O-CB 3.47Å; D9-S12 PolarHBondContact O-N 2.82Å; D9-S12 WeakPolarHBondContact OD1-CB 3.31Å; D9-S12 PolarHBondContact OD1-N 2.88Å; D9-S12 PolarHBondContact OD1-OG 3.47Å; R10-S12 VanDerWaalsContact C-N 3.26Å; R10-S12 PolarHBondContact O-N 3.18Å
13W83.6Confident76.8Confident3 Ų381 Ų811%0.01138%0.382CS..Hα-helixtrans-107.6-19.7-171.952.5-99.7000114.4A7 D9 R10 F35 V37 L90 P91 L94 P110A7-W13 PolarHBondContact O-NE1 3.23Å; D9-W13 PolarHBondContact O-NE1 3.48Å; R10-W13 HydrophobicContact CB-CH2 4.49Å; R10-W13 HydrophobicContact CB-CZ2 4.01Å; R10-W13 HydrophobicContact CG-CH2 4.01Å; R10-W13 HydrophobicContact CG-CZ2 4.03Å; W13-F35 HydrophobicContact CB-CE2 3.73Å; W13-F35 HydrophobicContact CB-CZ 4.19Å; W13-F35 HydrophobicContact CG-CE2 4.44Å; W13-V37 HydrophobicContact CD2-CG2 4.48Å; W13-V37 HydrophobicContact CE3-CB 3.59Å; W13-V37 HydrophobicContact CE3-CG1 4.43Å; W13-V37 HydrophobicContact CE3-CG2 3.45Å; W13-V37 VanDerWaalsContact CE3-CG2 3.45Å; W13-V37 HydrophobicContact CZ3-CB 3.76Å; W13-V37 HydrophobicContact CZ3-CG1 4.1Å; W13-V37 HydrophobicContact CZ3-CG2 3.79Å; W13-V37 PolarHBondContact O-N 2.83Å; W13-L90 HydrophobicContact CH2-CB 3.65Å; W13-L90 HydrophobicContact CH2-CD1 3.99Å; W13-L90 HydrophobicContact CH2-CG 4.46Å; W13-L90 HydrophobicContact CZ2-CB 4.44Å; W13-L90 HydrophobicContact CZ3-CB 4.24Å; W13-L90 HydrophobicContact CZ3-CD1 4.13Å; W13-P91 HydrophobicContact CZ2-CG 4.23Å; W13-L94 HydrophobicContact CB-CD1 4.44Å; W13-L94 HydrophobicContact CD2-CD1 3.38Å; W13-L94 VanDerWaalsContact CE2-CD1 3.47Å; W13-L94 HydrophobicContact CE3-CD1 3.76Å; W13-L94 HydrophobicContact CG-CD1 3.7Å; W13-L94 HydrophobicContact CH2-CD1 4.3Å; W13-L94 HydrophobicContact CZ2-CD1 3.96Å; W13-L94 HydrophobicContact CZ3-CD1 4.2Å; W13-P110 HydrophobicContact CB-CB 3.8Å
14Y85.7Confident78.1Confident45 Ų4582.4 Ų82.418%0.17639%0.388CS..BIsolated β-bridgetrans-91.4115.8-177.9-174.6-113.6000111.7R10 V37 Y47 K113R10-Y14 HydrophobicContact CG-CD1 4.25Å; R10-Y14 HydrophobicContact CG-CG 4.12Å; R10-Y14 WeakPolarHBondContact O-CA 3.41Å; R10-Y14 WeakPolarHBondContact O-CB 3.36Å; R10-Y14 PolarHBondContact O-N 2.7Å; Y14-V37 CarbonylContact C-O 3.52Å; Y14-V37 WeakPolarHBondContact CA-O 3.38Å; Y14-V37 HydrophobicContact CD2-CB 4.41Å; Y14-V37 HydrophobicContact CD2-CG1 4.27Å; Y14-Y47 AromaticContact CE2-CD1 3.77Å; Y14-Y47 HydrophobicContact CE2-CD1 3.77Å; Y14-Y47 AromaticContact CE2-CE1 3.64Å; Y14-Y47 HydrophobicContact CE2-CE1 3.64Å; Y14-K113 WeakPolarHBondContact O-CE 3.43Å; Y14-K113 PolarHBondContact O-NZ 3.5Å
15W82.2Confident78.8Confident56 Ų5677.6 Ų77.621%0.21238%0.376CS..  trans-97.72.1-179.8-78.171.6000113.8R17 L18 L26 L36 V37 V111 K113W15-R17 PolarHBondContact O-N 2.72Å; W15-L18 HydrophobicContact CB-CB 4.06Å; W15-L18 HydrophobicContact CB-CD2 3.95Å; W15-L18 HydrophobicContact CD2-CD2 4.34Å; W15-L18 HydrophobicContact CE3-CD1 4.05Å; W15-L18 HydrophobicContact CE3-CD2 4.29Å; W15-L18 HydrophobicContact CG-CD2 4.24Å; W15-L26 HydrophobicContact CD2-CD1 4.4Å; W15-L26 HydrophobicContact CE3-CD1 3.93Å; W15-L26 HydrophobicContact CH2-CD1 3.69Å; W15-L26 HydrophobicContact CH2-CD2 4.15Å; W15-L26 HydrophobicContact CZ2-CD1 4.21Å; W15-L26 HydrophobicContact CZ3-CD1 3.55Å; W15-L36 HydrophobicContact CB-CD1 4.47Å; W15-L36 HydrophobicContact CG-CB 4.39Å; W15-V37 PolarHBondContact N-O 3.46Å; W15-V111 VanDerWaalsContact CE2-CG1 3.47Å; W15-V111 HydrophobicContact CZ2-CG1 3.54Å; W15-K113 HydrophobicContact CD2-CG 4.12Å; W15-K113 VanDerWaalsContact CE2-CG 3.44Å; W15-K113 HydrophobicContact CH2-CB 4.2Å; W15-K113 HydrophobicContact CH2-CG 3.84Å; W15-K113 VanDerWaalsContact CZ2-CA 3.47Å; W15-K113 HydrophobicContact CZ2-CB 3.94Å; W15-K113 HydrophobicContact CZ2-CG 3.3Å; W15-K113 HydrophobicContact CZ3-CG 4.4Å
16G82.9Confident79.1Confident14 Ų1479.5 Ų79.514%0.14439%0.386CS..SBendtrans60.9-136.3179.500000112.1L18 R38 D39G16-L18 VanDerWaalsContact C-N 3.26Å; G16-L18 PolarHBondContact O-N 3.03Å; G16-R38 CarbonylContact O-C 3.39Å; G16-R38 WeakPolarHBondContact O-CA 3.43Å; G16-D39 WeakPolarHBondContact O-CB 3.27Å; G16-D39 PolarHBondContact O-N 2.88Å
17R77.6Confident79.4Confident230 Ų23073.7 Ų73.787%0.86836%0.355SS*.SBendtrans-75.278.1179.2-68.6-177.1178.1-169.20.3110.8W15 D39W15-R17 PolarHBondContact O-N 2.72Å; R17-D39 HydrophobicContact CG-CB 4.26Å
18L79.5Confident79.3Confident12 Ų1279.6 Ų79.66%0.06338%0.382CS..  trans-105.1133.1173.5-170.676.2000109.8W15 G16 E22 A23 L26 L36 R38W15-L18 HydrophobicContact CB-CB 4.06Å; W15-L18 HydrophobicContact CB-CD2 3.95Å; W15-L18 HydrophobicContact CD2-CD2 4.34Å; W15-L18 HydrophobicContact CE3-CD1 4.05Å; W15-L18 HydrophobicContact CE3-CD2 4.29Å; W15-L18 HydrophobicContact CG-CD2 4.24Å; G16-L18 VanDerWaalsContact C-N 3.26Å; G16-L18 PolarHBondContact O-N 3.03Å; L18-E22 HydrophobicContact CD1-CB 3.63Å; L18-E22 HydrophobicContact CD1-CG 4.47Å; L18-E22 HydrophobicContact CG-CB 3.95Å; L18-A23 HydrophobicContact CD2-CB 3.79Å; L18-A23 HydrophobicContact CG-CB 4.5Å; L18-L26 HydrophobicContact CD1-CD1 4.15Å; L18-L26 HydrophobicContact CD2-CD1 3.96Å; L18-L36 HydrophobicContact CD2-CD1 3.67Å; L18-L36 HydrophobicContact CD2-CD2 3.99Å; L18-R38 HydrophobicContact CB-CB 3.8Å; L18-R38 WeakPolarHBondContact O-CD 3.18Å; L18-R38 PolarHBondContact O-NH1 3.29Å
19S80.1Confident78.9Confident57 Ų5774.9 Ų74.940%0.39938%0.381SS..  trans-70.6154.3178.1-52.60000111Q21 E22 A23S19-Q21 PolarHBondContact O-N 3.46Å; S19-E22 WeakPolarHBondContact CB-OE2 3.23Å; S19-E22 PolarHBondContact N-OE2 3.35Å; S19-E22 PolarHBondContact O-N 3.49Å; S19-E22 PolarHBondContact OG-OE2 2.81Å; S19-A23 PolarHBondContact O-N 3.46Å
20R78.8Confident78.8Confident160 Ų16075.5 Ų75.560%0.60438%0.381SS*.Hα-helixtrans-54.8-42.5174.6-176-179.2178.6-178-2.4111.6A23 V24 H59R20-A23 PolarHBondContact O-N 2.99Å; R20-V24 WeakPolarHBondContact O-CG2 3.38Å; R20-V24 PolarHBondContact O-N 3.25Å; R20-H59 PolarHBondContact NE-CD2 2.75Å; R20-H59 PolarHBondContact NE-NE2 3.02Å
21Q77.8Confident78.7Confident160 Ų16076 Ų7675%0.74839%0.386SS*.Hα-helixtrans-67.4-41.2-176.7-158.1155.671.200111.7S19 V24 S25S19-Q21 PolarHBondContact O-N 3.46Å; Q21-V24 PolarHBondContact O-N 3.14Å; Q21-S25 PolarHBondContact O-N 2.99Å; Q21-S25 PolarHBondContact O-OG 3.39Å
22E77.6Confident79Confident94 Ų9475.5 Ų75.544%0.43938%0.38SS..Hα-helixtrans-64.2-41.7173.6-63.3176.5102.100111.8L18 S19 V24 S25 L26L18-E22 HydrophobicContact CD1-CB 3.63Å; L18-E22 HydrophobicContact CD1-CG 4.47Å; L18-E22 HydrophobicContact CG-CB 3.95Å; S19-E22 WeakPolarHBondContact CB-OE2 3.23Å; S19-E22 PolarHBondContact N-OE2 3.35Å; S19-E22 PolarHBondContact O-N 3.49Å; S19-E22 PolarHBondContact OG-OE2 2.81Å; E22-V24 VanDerWaalsContact C-N 3.28Å; E22-V24 PolarHBondContact O-N 2.75Å; E22-S25 PolarHBondContact O-N 3.08Å; E22-L26 VanDerWaalsContact O-CG 3.31Å; E22-L26 WeakPolarHBondContact O-CG 3.26Å; E22-L26 PolarHBondContact O-N 3.2Å
23A80.4Confident79.1Confident0 Ų073 Ų730%036%0.363CS..Hα-helixtrans-60.8-38.317500000112.3L18 S19 R20 L27 L36L18-A23 HydrophobicContact CD2-CB 3.79Å; L18-A23 HydrophobicContact CG-CB 4.5Å; S19-A23 PolarHBondContact O-N 3.46Å; R20-A23 PolarHBondContact O-N 2.99Å; A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.42Å; A23-L27 PolarHBondContact O-N 2.88Å; A23-L27 VanDerWaalsContact O-N 3.16Å; A23-L36 HydrophobicContact CB-CD1 4.13Å; A23-L36 HydrophobicContact CB-CD2 4.21Å
24V81.8Confident79.1Confident39 Ų3973 Ų7324%0.23636%0.363CS..Hα-helixtrans-65-50173.5174.40000110R20 Q21 E22 L26 L27 Q28 V57R20-V24 WeakPolarHBondContact O-CG2 3.38Å; R20-V24 PolarHBondContact O-N 3.25Å; Q21-V24 PolarHBondContact O-N 3.14Å; E22-V24 VanDerWaalsContact C-N 3.28Å; E22-V24 PolarHBondContact O-N 2.75Å; V24-L26 VanDerWaalsContact C-N 3.26Å; V24-L26 PolarHBondContact O-N 3.33Å; V24-L27 PolarHBondContact O-N 2.96Å; V24-Q28 HydrophobicContact CG1-CB 4.47Å; V24-Q28 WeakPolarHBondContact O-CA 3.27Å; V24-Q28 WeakPolarHBondContact O-CB 3.31Å; V24-Q28 PolarHBondContact O-N 3.34Å; V24-V57 HydrophobicContact CG1-CG2 4.23Å; V24-V57 HydrophobicContact CG2-CB 4.15Å; V24-V57 HydrophobicContact CG2-CG1 4.34Å
25S77.9Confident79.3Confident84 Ų8470.9 Ų70.959%0.58736%0.355SS*.Hα-helixtrans-59.2-34.8-179.6-64.20000113.7Q21 E22Q21-S25 PolarHBondContact O-N 2.99Å; Q21-S25 PolarHBondContact O-OG 3.39Å; E22-S25 PolarHBondContact O-N 3.08Å
26L79.3Confident79.7Confident53 Ų5368.2 Ų68.228%0.27735%0.345SS..Hα-helixtrans-75.6-33.8178.2-70.3168.4000113W15 L18 E22 V24 Q30 L36 V111W15-L26 HydrophobicContact CD2-CD1 4.4Å; W15-L26 HydrophobicContact CE3-CD1 3.93Å; W15-L26 HydrophobicContact CH2-CD1 3.69Å; W15-L26 HydrophobicContact CH2-CD2 4.15Å; W15-L26 HydrophobicContact CZ2-CD1 4.21Å; W15-L26 HydrophobicContact CZ3-CD1 3.55Å; L18-L26 HydrophobicContact CD1-CD1 4.15Å; L18-L26 HydrophobicContact CD2-CD1 3.96Å; E22-L26 VanDerWaalsContact O-CG 3.31Å; E22-L26 WeakPolarHBondContact O-CG 3.26Å; E22-L26 PolarHBondContact O-N 3.2Å; V24-L26 VanDerWaalsContact C-N 3.26Å; V24-L26 PolarHBondContact O-N 3.33Å; L26-Q30 WeakPolarHBondContact O-CG 3.25Å; L26-L36 HydrophobicContact CB-CD2 4.44Å; L26-V111 HydrophobicContact CB-CG2 4.31Å
27L82.8Confident80Confident0 Ų067.5 Ų67.50%034%0.338CS..Hα-helixtrans-95.1-17.6-177.2-70.5170000113.4A23 V24 G29 Q30 V34 L36 S50 S52 V57 V111A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.42Å; A23-L27 PolarHBondContact O-N 2.88Å; A23-L27 VanDerWaalsContact O-N 3.16Å; V24-L27 PolarHBondContact O-N 2.96Å; L27-G29 PolarHBondContact O-N 3.26Å; L27-Q30 VanDerWaalsContact O-CB 3.3Å; L27-Q30 WeakPolarHBondContact O-CB 3.16Å; L27-Q30 PolarHBondContact O-N 3.28Å; L27-V34 HydrophobicContact CD2-CB 4.33Å; L27-V34 HydrophobicContact CD2-CG1 3.77Å; L27-L36 HydrophobicContact CD1-CD2 3.66Å; L27-L36 HydrophobicContact CD1-CG 3.9Å; L27-L36 HydrophobicContact CD2-CD2 4.25Å; L27-L36 HydrophobicContact CG-CD2 3.73Å; L27-L36 HydrophobicContact CG-CG 4.41Å; L27-S50 VanDerWaalsContact CD1-C 3.48Å; L27-S50 VanDerWaalsContact CD1-CB 3.5Å; L27-S50 WeakPolarHBondContact CD1-O 3.44Å; L27-S52 WeakPolarHBondContact O-CB 3.12Å; L27-S52 PolarHBondContact O-OG 3.07Å; L27-V57 HydrophobicContact CB-CB 4.49Å; L27-V57 HydrophobicContact CB-CG1 4.02Å; L27-V57 HydrophobicContact CB-CG2 3.62Å; L27-V57 HydrophobicContact CD1-CG1 3.66Å; L27-V111 HydrophobicContact CD2-CB 3.97Å; L27-V111 HydrophobicContact CD2-CG2 4.17Å
28Q76Confident80.4Confident128 Ų12857.2 Ų57.260%0.59830%0.299SS*.THydrogen-bonded Turntrans-70.1126.1-179.8-177171.77.100109.8V24 Q30V24-Q28 HydrophobicContact CG1-CB 4.47Å; V24-Q28 WeakPolarHBondContact O-CA 3.27Å; V24-Q28 WeakPolarHBondContact O-CB 3.31Å; V24-Q28 PolarHBondContact O-N 3.34Å; Q28-Q30 PolarHBondContact O-N 3.25Å
29G68.9Low80.6Confident78 Ų7858.2 Ų58.280%0.80430%0.304SS*.THydrogen-bonded Turntrans83.7-7.3-17500000114.3L27L27-G29 PolarHBondContact O-N 3.26Å
30Q76.1Confident80.5Confident84 Ų8455.9 Ų55.939%0.39329%0.288SS..SBendtrans-74.2156.5174.7-63.6-62.4-43.400111.8L26 L27 Q28 V34 S52L26-Q30 WeakPolarHBondContact O-CG 3.25Å; L27-Q30 VanDerWaalsContact O-CB 3.3Å; L27-Q30 WeakPolarHBondContact O-CB 3.16Å; L27-Q30 PolarHBondContact O-N 3.28Å; Q28-Q30 PolarHBondContact O-N 3.25Å; Q30-V34 HydrophobicContact CB-CB 3.97Å; Q30-V34 HydrophobicContact CB-CG1 4.11Å; Q30-V34 HydrophobicContact CB-CG2 4.09Å; Q30-V34 HydrophobicContact CG-CG1 4.42Å; Q30-S52 PolarHBondContact O-OG 2.78Å
31K73.9Confident80.2Confident126 Ų12652.4 Ų52.455%0.54829%0.288SS..PPolyproline II helixtrans-53.5147.8177.2-68178.9-177.6173.60111.3G33 V34K31-G33 PolarHBondContact O-N 3.25Å; K31-V34 HydrophobicContact CB-CG2 3.93Å; K31-V34 WeakPolarHBondContact O-CB 3.48Å; K31-V34 WeakPolarHBondContact O-CG2 3.24Å; K31-V34 PolarHBondContact O-N 3.24Å; K31-V34 VanDerWaalsContact O-N 3.13Å
32H79.8Confident79.9Confident110 Ų11050.1 Ų50.151%0.50929%0.29SS..THydrogen-bonded Turntrans-60.2128.7176-63.5116.7000110.5N54H32-N54 PolarHBondContact CD2-N 3.31Å; H32-N54 PolarHBondContact NE2-N 2.79Å
33G77.4Confident79.6Confident0 Ų048.9 Ų48.90%029%0.286CS..THydrogen-bonded Turntrans93.6-0.7-177.300000114.6K31 S52 T106 C108K31-G33 PolarHBondContact O-N 3.25Å; G33-S52 PolarHBondContact N-O 2.83Å; G33-T106 WeakPolarHBondContact CA-O 3.4Å; G33-C108 PolarHBondContact O-N 2.95Å
34V85.4Confident79.2Confident3 Ų354.7 Ų54.72%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-70.4135.4169.2179.70000109.5L27 Q30 K31 V51 S52 E109 V111L27-V34 HydrophobicContact CD2-CB 4.33Å; L27-V34 HydrophobicContact CD2-CG1 3.77Å; Q30-V34 HydrophobicContact CB-CB 3.97Å; Q30-V34 HydrophobicContact CB-CG1 4.11Å; Q30-V34 HydrophobicContact CB-CG2 4.09Å; Q30-V34 HydrophobicContact CG-CG1 4.42Å; K31-V34 HydrophobicContact CB-CG2 3.93Å; K31-V34 WeakPolarHBondContact O-CB 3.48Å; K31-V34 WeakPolarHBondContact O-CG2 3.24Å; K31-V34 PolarHBondContact O-N 3.24Å; K31-V34 VanDerWaalsContact O-N 3.13Å; V34-V51 CarbonylContact O-C 3.47Å; V34-V51 WeakPolarHBondContact O-CA 3.26Å; V34-S52 PolarHBondContact O-N 2.84Å; V34-E109 CarbonylContact C-O 3.39Å; V34-E109 VanDerWaalsContact CA-O 3.25Å; V34-E109 WeakPolarHBondContact CA-O 3.43Å; V34-E109 HydrophobicContact CB-CG 4.48Å; V34-E109 HydrophobicContact CG2-CG 3.72Å; V34-V111 HydrophobicContact CG1-CB 3.87Å; V34-V111 HydrophobicContact CG1-CG2 4.21Å
35F90.1Very high78.8Confident0 Ų054.9 Ų54.90%033%0.333CS..EExtended strand (participates in β ladder)trans-141.6166.8-174.574.1-83.8000114.8F5 W13 L49 S50 V51 L94 L107 E109 P110 V111F5-F35 AromaticContact CD1-CE1 3.66Å; F5-F35 HydrophobicContact CD1-CE1 3.66Å; F5-F35 HydrophobicContact CD1-CZ 4.08Å; F5-F35 HydrophobicContact CD2-CE1 4.11Å; F5-F35 AromaticContact CD2-CZ 3.66Å; F5-F35 HydrophobicContact CD2-CZ 3.66Å; F5-F35 HydrophobicContact CE1-CD1 4.46Å; F5-F35 AromaticContact CE1-CE1 3.38Å; F5-F35 HydrophobicContact CE1-CE1 3.38Å; F5-F35 AromaticContact CE1-CZ 3.76Å; F5-F35 HydrophobicContact CE1-CZ 3.76Å; F5-F35 AromaticContact CE2-CE1 3.91Å; F5-F35 HydrophobicContact CE2-CE1 3.91Å; F5-F35 HydrophobicContact CE2-CE2 4.37Å; F5-F35 AromaticContact CE2-CZ 3.35Å; F5-F35 HydrophobicContact CE2-CZ 3.35Å; F5-F35 HydrophobicContact CG-CE1 4.01Å; F5-F35 HydrophobicContact CG-CZ 4.03Å; F5-F35 AromaticContact CZ-CE1 3.53Å; F5-F35 HydrophobicContact CZ-CE1 3.53Å; F5-F35 HydrophobicContact CZ-CE2 4.45Å; F5-F35 AromaticContact CZ-CZ 3.39Å; F5-F35 HydrophobicContact CZ-CZ 3.39Å; W13-F35 HydrophobicContact CB-CE2 3.73Å; W13-F35 HydrophobicContact CB-CZ 4.19Å; W13-F35 HydrophobicContact CG-CE2 4.44Å; F35-L49 HydrophobicContact CB-CD1 4.05Å; F35-L49 HydrophobicContact CD2-CD1 3.54Å; F35-L49 HydrophobicContact CE2-CD1 4.43Å; F35-L49 HydrophobicContact CG-CD1 4.14Å; F35-S50 CarbonylContact C-O 3.52Å; F35-S50 WeakPolarHBondContact CA-O 2.99Å; F35-S50 WeakPolarHBondContact CB-O 3.43Å; F35-V51 HydrophobicContact CB-CB 4.33Å; F35-V51 HydrophobicContact CB-CG1 4.25Å; F35-V51 HydrophobicContact CB-CG2 3.85Å; F35-L94 HydrophobicContact CD2-CD2 4.06Å; F35-L94 HydrophobicContact CE2-CD1 4.04Å; F35-L94 HydrophobicContact CE2-CD2 3.57Å; F35-L94 HydrophobicContact CE2-CG 4.37Å; F35-L94 HydrophobicContact CZ-CD2 4.3Å; F35-L107 HydrophobicContact CB-CD2 3.69Å; F35-L107 HydrophobicContact CD1-CB 3.93Å; F35-L107 HydrophobicContact CD1-CD1 4.44Å; F35-L107 HydrophobicContact CD1-CD2 3.74Å; F35-L107 HydrophobicContact CD1-CG 4.25Å; F35-L107 HydrophobicContact CD2-CD1 4.46Å; F35-L107 HydrophobicContact CD2-CD2 4.3Å; F35-L107 HydrophobicContact CE1-CB 4.01Å; F35-L107 HydrophobicContact CE1-CD1 4.47Å; F35-L107 HydrophobicContact CE2-CD1 4.48Å; F35-L107 HydrophobicContact CG-CD1 4.46Å; F35-L107 HydrophobicContact CG-CD2 3.64Å; F35-L107 HydrophobicContact CG-CG 4.46Å; F35-E109 WeakPolarHBondContact CD1-O 3.47Å; F35-E109 WeakPolarHBondContact CE1-O 3.28Å; F35-E109 PolarHBondContact N-O 2.88Å; F35-P110 HydrophobicContact CE1-CB 4.44Å; F35-P110 HydrophobicContact CZ-CB 4.19Å; F35-P110 CarbonylContact O-C 3.5Å; F35-P110 VanDerWaalsContact O-CA 3.24Å; F35-P110 WeakPolarHBondContact O-CA 3.13Å; F35-V111 PolarHBondContact O-N 2.74Å
36L89.5Confident79Confident0 Ų051.2 Ų51.20%031%0.306CS..EExtended strand (participates in β ladder)trans-150.2151.7169.968.989.5000110.9W15 L18 A23 L26 L27 R38 S50 V111W15-L36 HydrophobicContact CB-CD1 4.47Å; W15-L36 HydrophobicContact CG-CB 4.39Å; L18-L36 HydrophobicContact CD2-CD1 3.67Å; L18-L36 HydrophobicContact CD2-CD2 3.99Å; A23-L36 HydrophobicContact CB-CD1 4.13Å; A23-L36 HydrophobicContact CB-CD2 4.21Å; L26-L36 HydrophobicContact CB-CD2 4.44Å; L27-L36 HydrophobicContact CD1-CD2 3.66Å; L27-L36 HydrophobicContact CD1-CG 3.9Å; L27-L36 HydrophobicContact CD2-CD2 4.25Å; L27-L36 HydrophobicContact CG-CD2 3.73Å; L27-L36 HydrophobicContact CG-CG 4.41Å; L36-R38 HydrophobicContact CD1-CB 4.02Å; L36-R38 HydrophobicContact CD1-CG 4.25Å; L36-S50 PolarHBondContact N-O 2.96Å; L36-S50 PolarHBondContact O-N 3.2Å; L36-V111 HydrophobicContact CB-CG1 3.59Å; L36-V111 HydrophobicContact CD2-CG1 3.69Å; L36-V111 HydrophobicContact CG-CG1 4.28Å
37V89.3Confident79.4Confident0 Ų050.3 Ų50.30%030%0.3CS..EExtended strand (participates in β ladder)trans-108.9130.5171.3-173.90000109.4W13 Y14 W15 Y47 V48 L49 I62 L94W13-V37 HydrophobicContact CD2-CG2 4.48Å; W13-V37 HydrophobicContact CE3-CB 3.59Å; W13-V37 HydrophobicContact CE3-CG1 4.43Å; W13-V37 HydrophobicContact CE3-CG2 3.45Å; W13-V37 VanDerWaalsContact CE3-CG2 3.45Å; W13-V37 HydrophobicContact CZ3-CB 3.76Å; W13-V37 HydrophobicContact CZ3-CG1 4.1Å; W13-V37 HydrophobicContact CZ3-CG2 3.79Å; W13-V37 PolarHBondContact O-N 2.83Å; Y14-V37 CarbonylContact C-O 3.52Å; Y14-V37 WeakPolarHBondContact CA-O 3.38Å; Y14-V37 HydrophobicContact CD2-CB 4.41Å; Y14-V37 HydrophobicContact CD2-CG1 4.27Å; W15-V37 PolarHBondContact N-O 3.46Å; V37-Y47 HydrophobicContact CG1-CD1 4.42Å; V37-V48 WeakPolarHBondContact CA-O 3.39Å; V37-L49 HydrophobicContact CG2-CD1 3.86Å; V37-I62 HydrophobicContact CG1-CD1 4.42Å; V37-L94 HydrophobicContact CG2-CD1 4.45Å; V37-L94 HydrophobicContact CG2-CD2 4.05Å
38R86.1Confident79.6Confident13 Ų1350.6 Ų50.65%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-128.3164.8177.366.5-169.7-172.978.68.3111.4G16 L18 L36 S41 Y47 V48G16-R38 CarbonylContact O-C 3.39Å; G16-R38 WeakPolarHBondContact O-CA 3.43Å; L18-R38 HydrophobicContact CB-CB 3.8Å; L18-R38 WeakPolarHBondContact O-CD 3.18Å; L18-R38 PolarHBondContact O-NH1 3.29Å; L36-R38 HydrophobicContact CD1-CB 4.02Å; L36-R38 HydrophobicContact CD1-CG 4.25Å; R38-S41 PolarHBondContact NH1-OG 3.22Å; R38-Y47 CarbonylContact O-C 3.54Å; R38-Y47 WeakPolarHBondContact O-CA 3.36Å; R38-V48 HydrophobicContact CG-CB 4.01Å; R38-V48 PolarHBondContact N-O 3.25Å; R38-V48 PolarHBondContact O-N 2.89Å
39D83Confident80.3Confident34 Ų3444.5 Ų44.518%0.18227%0.273CS..EExtended strand (participates in β ladder)trans-68.3140.6170.6-154.9-112000110.1G16 R17 S41G16-D39 WeakPolarHBondContact O-CB 3.27Å; G16-D39 PolarHBondContact O-N 2.88Å; R17-D39 HydrophobicContact CG-CB 4.26Å; D39-S41 PolarHBondContact O-N 3.41Å
40S79.2Confident81.2Confident7 Ų740.8 Ų40.85%0.04924%0.235CC..  trans-73.3111.5176.9-177.20000110.1S42 I43 D46S40-S42 PolarHBondContact O-N 3.27Å; S40-I43 WeakPolarHBondContact CB-O 3.45Å; S40-I43 PolarHBondContact O-N 3.14Å; S40-I43 PolarHBondContact OG-N 2.77Å; S40-D46 WeakPolarHBondContact CB-O 3.48Å; S40-D46 PolarHBondContact N-O 2.98Å
41S72.6Confident81.7Confident88 Ų8836.8 Ų36.862%0.61522%0.216SC*.SBendtrans-65-18.6175.7-40.70000113.1R38 D39R38-S41 PolarHBondContact NH1-OG 3.22Å; D39-S41 PolarHBondContact O-N 3.41Å
42S70.6Confident82.3Confident111 Ų11130.9 Ų30.978%0.77619%0.191SC*.SBendtrans-93.7-33.4-177.2-56.50000112.9S40S40-S42 PolarHBondContact O-N 3.27Å
43I72.4Confident82.3Confident69 Ų6925.7 Ų25.735%0.35417%0.167SC..SBendtrans-133.4108.1-175.8-50.9170.6000108.7S40 G45 D46S40-I43 WeakPolarHBondContact CB-O 3.45Å; S40-I43 PolarHBondContact O-N 3.14Å; S40-I43 PolarHBondContact OG-N 2.77Å; I43-G45 PolarHBondContact O-N 2.8Å; I43-D46 HydrophobicContact CB-CB 4.17Å; I43-D46 VanDerWaalsContact CB-OD2 3.28Å; I43-D46 WeakPolarHBondContact CB-OD2 3.24Å; I43-D46 WeakPolarHBondContact CD1-OD2 3.24Å; I43-D46 HydrophobicContact CG2-CB 4.42Å; I43-D46 WeakPolarHBondContact CG2-OD2 3.46Å; I43-D46 PolarHBondContact O-N 2.95Å
44P71.3Confident81.9Confident122 Ų12230.1 Ų30.179%0.79219%0.19SC*.THydrogen-bonded Turntrans-65.8125.4-178.626.4-32.7000110.4
45G72.6Confident81.2Confident42 Ų4235.4 Ų35.443%0.43323%0.228SC..THydrogen-bonded Turntrans102.9-14.8-177.100000114.3I43 D64I43-G45 PolarHBondContact O-N 2.8Å; G45-D64 VanDerWaalsContact O-CB 3.31Å; G45-D64 WeakPolarHBondContact O-CB 3.35Å
46D83.5Confident80.7Confident7 Ų740.7 Ų40.74%0.03725%0.25CS..  trans-91.8159.3172.2-67.7-24.5000111.1S40 I43 N63 D64S40-D46 WeakPolarHBondContact CB-O 3.48Å; S40-D46 PolarHBondContact N-O 2.98Å; I43-D46 HydrophobicContact CB-CB 4.17Å; I43-D46 VanDerWaalsContact CB-OD2 3.28Å; I43-D46 WeakPolarHBondContact CB-OD2 3.24Å; I43-D46 WeakPolarHBondContact CD1-OD2 3.24Å; I43-D46 HydrophobicContact CG2-CB 4.42Å; I43-D46 WeakPolarHBondContact CG2-OD2 3.46Å; I43-D46 PolarHBondContact O-N 2.95Å; D46-N63 WeakPolarHBondContact OD1-CA 3.17Å; D46-D64 PolarHBondContact OD1-N 2.96Å
47Y86.4Confident80.4Confident34 Ų3441.7 Ų41.713%0.13326%0.257CS..EExtended strand (participates in β ladder)trans-115.7161.3179.3-59.3-92.5000110.3Y14 V37 R38 I62 F80 L90Y14-Y47 AromaticContact CE2-CD1 3.77Å; Y14-Y47 HydrophobicContact CE2-CD1 3.77Å; Y14-Y47 AromaticContact CE2-CE1 3.64Å; Y14-Y47 HydrophobicContact CE2-CE1 3.64Å; V37-Y47 HydrophobicContact CG1-CD1 4.42Å; R38-Y47 CarbonylContact O-C 3.54Å; R38-Y47 WeakPolarHBondContact O-CA 3.36Å; Y47-I62 PolarHBondContact N-O 2.76Å; Y47-I62 WeakPolarHBondContact O-CA 3.31Å; Y47-I62 PolarHBondContact O-N 2.85Å; Y47-I62 VanDerWaalsContact O-O 3.1Å; Y47-F80 HydrophobicContact CD2-CD1 4.27Å; Y47-F80 AromaticContact CD2-CE1 3.98Å; Y47-F80 HydrophobicContact CD2-CE1 3.98Å; Y47-F80 HydrophobicContact CE2-CD1 4.4Å; Y47-F80 AromaticContact CE2-CE1 3.67Å; Y47-F80 HydrophobicContact CE2-CE1 3.67Å; Y47-L90 HydrophobicContact CD1-CD1 4.12Å; Y47-L90 HydrophobicContact CD2-CD1 4.38Å; Y47-L90 HydrophobicContact CE1-CD1 4.19Å; Y47-L90 HydrophobicContact CE2-CD1 4.49Å; Y47-L90 HydrophobicContact CG-CD1 4.2Å
48V88.4Confident80.1Confident6 Ų642.5 Ų42.54%0.03626%0.262CS..EExtended strand (participates in β ladder)trans-133.6120.7175.8-177.70000108.8V37 R38 H59 Y60V37-V48 WeakPolarHBondContact CA-O 3.39Å; R38-V48 HydrophobicContact CG-CB 4.01Å; R38-V48 PolarHBondContact N-O 3.25Å; R38-V48 PolarHBondContact O-N 2.89Å; V48-H59 HydrophobicContact CG1-CB 3.94Å; V48-Y60 CarbonylContact C-O 3.59Å; V48-Y60 WeakPolarHBondContact CA-O 3.18Å
49L89.5Confident80.2Confident0 Ų044 Ų440%027%0.27CS..EExtended strand (participates in β ladder)trans-86115.4169.217364.8000108.4F35 V37 V51 H59 Y60 I62 I82 L93 L94 L102 L107F35-L49 HydrophobicContact CB-CD1 4.05Å; F35-L49 HydrophobicContact CD2-CD1 3.54Å; F35-L49 HydrophobicContact CE2-CD1 4.43Å; F35-L49 HydrophobicContact CG-CD1 4.14Å; V37-L49 HydrophobicContact CG2-CD1 3.86Å; L49-V51 HydrophobicContact CD1-CG2 4.12Å; L49-V51 HydrophobicContact CD2-CG2 4.26Å; L49-V51 HydrophobicContact CG-CG2 3.8Å; L49-H59 CarbonylContact O-C 3.43Å; L49-H59 WeakPolarHBondContact O-CA 3.3Å; L49-Y60 HydrophobicContact CG-CD2 4.49Å; L49-Y60 PolarHBondContact N-O 2.75Å; L49-Y60 PolarHBondContact O-N 3.24Å; L49-I62 HydrophobicContact CB-CD1 3.76Å; L49-I62 HydrophobicContact CB-CG1 4.41Å; L49-I82 HydrophobicContact CB-CD1 4.48Å; L49-I82 HydrophobicContact CD2-CD1 3.96Å; L49-L93 HydrophobicContact CD2-CD2 4.21Å; L49-L94 HydrophobicContact CD1-CD2 3.97Å; L49-L102 HydrophobicContact CD2-CD1 4.06Å; L49-L102 HydrophobicContact CD2-CD2 4.2Å; L49-L107 HydrophobicContact CD1-CD2 4.47Å; L49-L107 HydrophobicContact CD2-CD1 4.35Å; L49-L107 HydrophobicContact CD2-CD2 4.4Å
50S87.6Confident80.2Confident0 Ų044.3 Ų44.30%027%0.268CS..EExtended strand (participates in β ladder)trans-104.2131.5175.2-50.80000108.9L27 F35 L36 S58 H59L27-S50 VanDerWaalsContact CD1-C 3.48Å; L27-S50 VanDerWaalsContact CD1-CB 3.5Å; L27-S50 WeakPolarHBondContact CD1-O 3.44Å; F35-S50 CarbonylContact C-O 3.52Å; F35-S50 WeakPolarHBondContact CA-O 2.99Å; F35-S50 WeakPolarHBondContact CB-O 3.43Å; L36-S50 PolarHBondContact N-O 2.96Å; L36-S50 PolarHBondContact O-N 3.2Å; S50-S58 CarbonylContact C-O 3.53Å; S50-S58 VanDerWaalsContact CA-O 3.28Å; S50-S58 WeakPolarHBondContact CA-O 3.36Å; S50-H59 PolarHBondContact OG-ND1 2.79Å
51V87.6Confident80.5Confident0 Ų048.1 Ų48.10%029%0.288CS..EExtended strand (participates in β ladder)trans-133136.2-174.2-170.70000109.9V34 F35 L49 V57 S58 Y60 L102 T105 L107V34-V51 CarbonylContact O-C 3.47Å; V34-V51 WeakPolarHBondContact O-CA 3.26Å; F35-V51 HydrophobicContact CB-CB 4.33Å; F35-V51 HydrophobicContact CB-CG1 4.25Å; F35-V51 HydrophobicContact CB-CG2 3.85Å; L49-V51 HydrophobicContact CD1-CG2 4.12Å; L49-V51 HydrophobicContact CD2-CG2 4.26Å; L49-V51 HydrophobicContact CG-CG2 3.8Å; V51-V57 CarbonylContact O-C 3.55Å; V51-V57 WeakPolarHBondContact O-CA 3.48Å; V51-S58 PolarHBondContact N-O 2.8Å; V51-S58 PolarHBondContact O-N 3.34Å; V51-Y60 HydrophobicContact CB-CE2 4.25Å; V51-Y60 HydrophobicContact CG2-CD2 4.09Å; V51-Y60 HydrophobicContact CG2-CE2 3.93Å; V51-L102 HydrophobicContact CG2-CD1 3.74Å; V51-T105 HydrophobicContact CG1-CG2 3.76Å; V51-L107 HydrophobicContact CG1-CD2 4.22Å; V51-L107 HydrophobicContact CG2-CD2 3.83Å
52S85.6Confident81.2Confident3 Ų344 Ų442%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-77.4118.9170.7-176.40000110.2L27 Q30 G33 V34L27-S52 WeakPolarHBondContact O-CB 3.12Å; L27-S52 PolarHBondContact O-OG 3.07Å; Q30-S52 PolarHBondContact O-OG 2.78Å; G33-S52 PolarHBondContact N-O 2.83Å; V34-S52 PolarHBondContact O-N 2.84Å
53E81.3Confident81.9Confident1 Ų140.4 Ų40.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-150.1130.4-173.3-177.5-175.471.400111.3S55 K56 S58 T104 T105E53-S55 VanDerWaalsContact C-N 3.29Å; E53-S55 PolarHBondContact O-N 2.86Å; E53-K56 CarbonylContact C-O 3.54Å; E53-K56 PolarHBondContact N-O 2.86Å; E53-K56 CarbonylContact O-C 3.53Å; E53-K56 WeakPolarHBondContact O-CA 3.32Å; E53-K56 WeakPolarHBondContact O-CG 3.2Å; E53-K56 PolarHBondContact O-N 2.93Å; E53-S58 PolarHBondContact OE1-OG 2.77Å; E53-S58 VanDerWaalsContact OE1-OG 3.1Å; E53-T104 WeakPolarHBondContact CG-OG1 3.39Å; E53-T104 WeakPolarHBondContact OE2-CA 3.46Å; E53-T104 PolarHBondContact OE2-N 3.05Å; E53-T104 PolarHBondContact OE2-OG1 3Å; E53-T105 HydrophobicContact CB-CG2 3.94Å; E53-T105 HydrophobicContact CG-CG2 3.89Å; E53-T105 PolarHBondContact OE2-N 3.04Å
54N68.1Low82.4Confident93 Ų9338 Ų3850%0.49722%0.218SC..THydrogen-bonded Turntrans48.144.2176.9-60.7-52.2000114.6H32 K56 T104H32-N54 PolarHBondContact CD2-N 3.31Å; H32-N54 PolarHBondContact NE2-N 2.79Å; N54-K56 PolarHBondContact O-N 2.79Å; N54-K56 VanDerWaalsContact O-N 3.11Å; N54-T104 PolarHBondContact ND2-OG1 3Å
55S71.1Confident82.7Confident114 Ų11433.6 Ų33.680%0.79719%0.188SC*.THydrogen-bonded Turntrans60.414.1-175.4-49.90000115.4E53E53-S55 VanDerWaalsContact C-N 3.29Å; E53-S55 PolarHBondContact O-N 2.86Å
56K78.5Confident82.5Confident110 Ų11034.2 Ų34.248%0.47819%0.186SC..EExtended strand (participates in β ladder)trans-123.7167.5171.161.5170.1-175.1176.60109.8E53 N54E53-K56 CarbonylContact C-O 3.54Å; E53-K56 PolarHBondContact N-O 2.86Å; E53-K56 CarbonylContact O-C 3.53Å; E53-K56 WeakPolarHBondContact O-CA 3.32Å; E53-K56 WeakPolarHBondContact O-CG 3.2Å; E53-K56 PolarHBondContact O-N 2.93Å; N54-K56 PolarHBondContact O-N 2.79Å; N54-K56 VanDerWaalsContact O-N 3.11Å
57V82.8Confident81.2Confident22 Ų2241.1 Ų41.113%0.13322%0.222CC..EExtended strand (participates in β ladder)trans-108.1114173.7-1790000108.5V24 L27 V51V24-V57 HydrophobicContact CG1-CG2 4.23Å; V24-V57 HydrophobicContact CG2-CB 4.15Å; V24-V57 HydrophobicContact CG2-CG1 4.34Å; L27-V57 HydrophobicContact CB-CB 4.49Å; L27-V57 HydrophobicContact CB-CG1 4.02Å; L27-V57 HydrophobicContact CB-CG2 3.62Å; L27-V57 HydrophobicContact CD1-CG1 3.66Å; V51-V57 CarbonylContact O-C 3.55Å; V51-V57 WeakPolarHBondContact O-CA 3.48Å
58S84.8Confident80.1Confident16 Ų1647.9 Ų47.911%0.11225%0.248CC..EExtended strand (participates in β ladder)trans-86.5140.1176.3-69.10000109.3S50 V51 E53S50-S58 CarbonylContact C-O 3.53Å; S50-S58 VanDerWaalsContact CA-O 3.28Å; S50-S58 WeakPolarHBondContact CA-O 3.36Å; V51-S58 PolarHBondContact N-O 2.8Å; V51-S58 PolarHBondContact O-N 3.34Å; E53-S58 PolarHBondContact OE1-OG 2.77Å; E53-S58 VanDerWaalsContact OE1-OG 3.1Å
59H86.6Confident78.5Confident46 Ų4652.9 Ų52.921%0.21327%0.272CS..EExtended strand (participates in β ladder)trans-123.9118.2179.9-55.3-80.6000110.1R20 V48 L49 S50R20-H59 PolarHBondContact NE-CD2 2.75Å; R20-H59 PolarHBondContact NE-NE2 3.02Å; V48-H59 HydrophobicContact CG1-CB 3.94Å; L49-H59 CarbonylContact O-C 3.43Å; L49-H59 WeakPolarHBondContact O-CA 3.3Å; S50-H59 PolarHBondContact OG-ND1 2.79Å
60Y84.8Confident76.9Confident39 Ų3963.6 Ų63.615%0.15331%0.312CS..EExtended strand (participates in β ladder)trans-108.4124.3-179.7-54.4-88.2000109.5V48 L49 V51 I82 L102 D103V48-Y60 CarbonylContact C-O 3.59Å; V48-Y60 WeakPolarHBondContact CA-O 3.18Å; L49-Y60 HydrophobicContact CG-CD2 4.49Å; L49-Y60 PolarHBondContact N-O 2.75Å; L49-Y60 PolarHBondContact O-N 3.24Å; V51-Y60 HydrophobicContact CB-CE2 4.25Å; V51-Y60 HydrophobicContact CG2-CD2 4.09Å; V51-Y60 HydrophobicContact CG2-CE2 3.93Å; Y60-I82 HydrophobicContact CG-CD1 4.46Å; Y60-L102 HydrophobicContact CD1-CD2 4.22Å; Y60-L102 HydrophobicContact CD2-CD1 4.3Å; Y60-L102 HydrophobicContact CD2-CD2 4.2Å; Y60-L102 HydrophobicContact CE1-CB 4.01Å; Y60-L102 HydrophobicContact CE1-CD2 4.29Å; Y60-L102 HydrophobicContact CE2-CB 4.04Å; Y60-L102 HydrophobicContact CE2-CD1 3.95Å; Y60-L102 HydrophobicContact CE2-CD2 4.28Å; Y60-L102 HydrophobicContact CE2-CG 4.34Å; Y60-L102 HydrophobicContact CG-CD2 4.18Å; Y60-D103 VanDerWaalsContact OH-CB 3.25Å; Y60-D103 WeakPolarHBondContact OH-CB 3.38Å
61I85.6Confident75Confident88 Ų8870.2 Ų70.245%0.45136%0.356SS..EExtended strand (participates in β ladder)trans-80.9128.3-179.4-59.2172.8000108.6
62I86.4Confident73.4Confident0 Ų074 Ų740%040%0.395CS..EExtended strand (participates in β ladder)trans-109.9109.4174.4-56.3163.1000107.4V37 Y47 L49 F80 Q81 I82 L90 L93V37-I62 HydrophobicContact CG1-CD1 4.42Å; Y47-I62 PolarHBondContact N-O 2.76Å; Y47-I62 WeakPolarHBondContact O-CA 3.31Å; Y47-I62 PolarHBondContact O-N 2.85Å; Y47-I62 VanDerWaalsContact O-O 3.1Å; L49-I62 HydrophobicContact CB-CD1 3.76Å; L49-I62 HydrophobicContact CB-CG1 4.41Å; I62-F80 HydrophobicContact CG2-CB 3.88Å; I62-F80 HydrophobicContact CG2-CD1 4.19Å; I62-F80 HydrophobicContact CG2-CG 4.45Å; I62-Q81 CarbonylContact C-O 3.52Å; I62-Q81 VanDerWaalsContact CA-O 3.32Å; I62-Q81 WeakPolarHBondContact CA-O 3.47Å; I62-I82 HydrophobicContact CG1-CB 4.07Å; I62-I82 HydrophobicContact CG1-CD1 3.9Å; I62-I82 HydrophobicContact CG1-CG1 4.07Å; I62-L90 HydrophobicContact CD1-CD2 3.85Å; I62-L90 HydrophobicContact CG2-CD2 3.85Å; I62-L93 HydrophobicContact CD1-CD1 4.09Å; I62-L93 HydrophobicContact CD1-CD2 4.45Å; I62-L93 HydrophobicContact CG1-CD1 4.05Å; I62-L93 HydrophobicContact CG2-CD1 4.05Å
63N84.7Confident71.8Confident37 Ų3777.6 Ų77.620%0.19842%0.42CS..EExtended strand (participates in β ladder)trans-84.7132.5179.7-57.5-91.6000109.9D46 I65 F80 Q81D46-N63 WeakPolarHBondContact OD1-CA 3.17Å; N63-I65 HydrophobicContact CB-CG2 4.38Å; N63-I65 PolarHBondContact O-N 2.83Å; N63-F80 WeakPolarHBondContact O-CA 3.38Å; N63-Q81 PolarHBondContact N-O 3Å; N63-Q81 PolarHBondContact O-N 3.38Å
64D82.9Confident70.3Confident17 Ų1780.7 Ų80.79%0.09145%0.452CS..EExtended strand (participates in β ladder)trans-85.7104.2167.3-178.6-76.2000108.4G45 D46 S66 R79 F80G45-D64 VanDerWaalsContact O-CB 3.31Å; G45-D64 WeakPolarHBondContact O-CB 3.35Å; D46-D64 PolarHBondContact OD1-N 2.96Å; D64-S66 VanDerWaalsContact C-N 3.3Å; D64-S66 WeakPolarHBondContact OD1-CB 3.49Å; D64-S66 PolarHBondContact OD1-N 3Å; D64-S66 PolarHBondContact OD1-OG 3.23Å; D64-S66 PolarHBondContact OD2-OG 2.87Å; D64-R79 WeakPolarHBondContact OD2-CG 3.05Å; D64-R79 IonicContact OD2-CZ 2.79Å; D64-R79 IonicContact OD2-NE 3.46Å; D64-R79 PolarHBondContact OD2-NE 3.21Å; D64-R79 IonicContact OD2-NH2 3.8Å; D64-R79 PolarHBondContact OD2-NH2 3.24Å; D64-F80 HydrophobicContact CB-CD1 4.37Å; D64-F80 HydrophobicContact CB-CE1 4.24Å; D64-F80 WeakPolarHBondContact OD2-CE1 3.38Å
65I77.4Confident69.8Low31 Ų3182.8 Ų82.816%0.15947%0.468CS..  trans-87.3-0-179.157.1167.5000112.4N63 N67 R68 M69 N78 R79 Q81N63-I65 HydrophobicContact CB-CG2 4.38Å; N63-I65 PolarHBondContact O-N 2.83Å; I65-N67 PolarHBondContact O-N 3.05Å; I65-R68 PolarHBondContact O-N 2.77Å; I65-R68 VanDerWaalsContact O-N 3.1Å; I65-M69 PolarHBondContact O-N 3.33Å; I65-N78 WeakPolarHBondContact CD1-O 3.41Å; I65-R79 VanDerWaalsContact CG1-O 3.26Å; I65-R79 WeakPolarHBondContact CG1-O 3.41Å; I65-R79 PolarHBondContact N-O 2.9Å; I65-Q81 HydrophobicContact CG2-CB 4.41Å
66S68.9Low69Low55 Ų5584 Ų8439%0.38546%0.461SS..THydrogen-bonded Turntrans-60.6-35.4179.670.50000112.7D64 R68 R79D64-S66 VanDerWaalsContact C-N 3.3Å; D64-S66 WeakPolarHBondContact OD1-CB 3.49Å; D64-S66 PolarHBondContact OD1-N 3Å; D64-S66 PolarHBondContact OD1-OG 3.23Å; D64-S66 PolarHBondContact OD2-OG 2.87Å; S66-R68 VanDerWaalsContact C-N 3.35Å; S66-R79 PolarHBondContact OG-NE 3.03Å; S66-R79 PolarHBondContact OG-NH2 3.35Å
67N56.9Low68.2Low151 Ų15183.3 Ų83.381%0.80747%0.466SS*.THydrogen-bonded Turntrans-86.4-5.5-178.2-160.427.5000113.5I65I65-N67 PolarHBondContact O-N 3.05Å
68R62.3Low67.4Low177 Ų17785 Ų8567%0.66847%0.474SS*.THydrogen-bonded Turntrans-97.8-15.5179.1-67.3-169.8-175.4173.77.6113.3I65 S66I65-R68 PolarHBondContact O-N 2.77Å; I65-R68 VanDerWaalsContact O-N 3.1Å; S66-R68 VanDerWaalsContact C-N 3.35Å
69M55.9Low67.1Low110 Ų11090 Ų9054%0.54249%0.491SS..SBendtrans-85.8132.3176.9-111.981.9176.400111.4I65I65-M69 PolarHBondContact O-N 3.33Å
70R54.6Low67Low225 Ų22588.7 Ų88.785%0.84949%0.485SS*.  trans-60.4139.1174.2-101.8-162.8-71.7-109.80.3110.4G72R70-G72 PolarHBondContact O-N 2.95Å
71P48.3Very low66.8Low140 Ų14090 Ų9091%0.90949%0.492SS*.THydrogen-bonded Turntrans-66.5103173.228-32.9000109
72G55Low66.8Low80 Ų8086 Ų8683%0.82547%0.472SS*.THydrogen-bonded Turntrans166.7-12.8177.600000119R70R70-G72 PolarHBondContact O-N 2.95Å
73S51.7Low66.5Low77 Ų7788.8 Ų88.854%0.53850%0.501SS..  trans-102.5125.1170.958.50000110.6
74G49.8Very low66.3Low67 Ų6796 Ų9669%0.69153%0.533SS*.  trans-67.5142.3178.600000112.1
75V57.3Low66.2Low137 Ų13799.3 Ų99.383%0.8355%0.548SS*.  trans46.372.4162.2-161.60000114.5T77V75-T77 HydrophobicContact CG1-CG2 4.35Å
76E55.1Low66.5Low139 Ų139100.6 Ų100.665%0.6556%0.56SS**  trans-116.2109.9151.2-76.5174.687.300107N78E76-N78 PolarHBondContact O-N 2.94Å
77T60.7Low67.3Low96 Ų9698.8 Ų98.859%0.58955%0.545SS*.  trans-71.8-13-171.845.50000112.9V75 R79 P88V75-T77 HydrophobicContact CG1-CG2 4.35Å; T77-R79 PolarHBondContact O-N 2.88Å; T77-P88 WeakPolarHBondContact O-CA 3.36Å; T77-P88 WeakPolarHBondContact O-CB 3.13Å
78N66.4Low68.4Low57 Ų5793.9 Ų93.931%0.30552%0.521SS..  trans-89.398-165.9-70.431.5000112I65 E76 S86 F87I65-N78 WeakPolarHBondContact CD1-O 3.41Å; E76-N78 PolarHBondContact O-N 2.94Å; N78-S86 PolarHBondContact ND2-O 3.26Å; N78-S86 PolarHBondContact ND2-OG 2.76Å; N78-F87 CarbonylContact C-O 3.55Å; N78-F87 WeakPolarHBondContact CA-O 3.23Å
79R78.6Confident69.5Low121 Ų12191.4 Ų91.446%0.45752%0.517SS..  trans-93-26.8-175.3172.3165.4-174.1167.69.5114.2D64 I65 S66 T77 F87 P88D64-R79 WeakPolarHBondContact OD2-CG 3.05Å; D64-R79 IonicContact OD2-CZ 2.79Å; D64-R79 IonicContact OD2-NE 3.46Å; D64-R79 PolarHBondContact OD2-NE 3.21Å; D64-R79 IonicContact OD2-NH2 3.8Å; D64-R79 PolarHBondContact OD2-NH2 3.24Å; I65-R79 VanDerWaalsContact CG1-O 3.26Å; I65-R79 WeakPolarHBondContact CG1-O 3.41Å; I65-R79 PolarHBondContact N-O 2.9Å; S66-R79 PolarHBondContact OG-NE 3.03Å; S66-R79 PolarHBondContact OG-NH2 3.35Å; T77-R79 PolarHBondContact O-N 2.88Å; R79-F87 PolarHBondContact N-O 3.06Å; R79-P88 WeakPolarHBondContact CB-O 3.3Å
80F84.1Confident70.9Confident18 Ų1886.4 Ų86.48%0.07949%0.493CS..EExtended strand (participates in β ladder)trans-120133.2-171.5-60.5-76.8000110.7Y47 I62 N63 D64 S86 F87 L90Y47-F80 HydrophobicContact CD2-CD1 4.27Å; Y47-F80 AromaticContact CD2-CE1 3.98Å; Y47-F80 HydrophobicContact CD2-CE1 3.98Å; Y47-F80 HydrophobicContact CE2-CD1 4.4Å; Y47-F80 AromaticContact CE2-CE1 3.67Å; Y47-F80 HydrophobicContact CE2-CE1 3.67Å; I62-F80 HydrophobicContact CG2-CB 3.88Å; I62-F80 HydrophobicContact CG2-CD1 4.19Å; I62-F80 HydrophobicContact CG2-CG 4.45Å; N63-F80 WeakPolarHBondContact O-CA 3.38Å; D64-F80 HydrophobicContact CB-CD1 4.37Å; D64-F80 HydrophobicContact CB-CE1 4.24Å; D64-F80 WeakPolarHBondContact OD2-CE1 3.38Å; F80-S86 WeakPolarHBondContact O-CA 3.46Å; F80-F87 PolarHBondContact N-O 2.96Å; F80-F87 PolarHBondContact O-N 3.45Å; F80-L90 HydrophobicContact CD1-CD2 4.13Å; F80-L90 HydrophobicContact CD1-CG 4.18Å; F80-L90 HydrophobicContact CD2-CG 4.33Å; F80-L90 HydrophobicContact CE1-CD1 4.48Å; F80-L90 HydrophobicContact CE1-CG 4.17Å; F80-L90 HydrophobicContact CE2-CG 4.3Å; F80-L90 HydrophobicContact CG-CD2 4.24Å; F80-L90 HydrophobicContact CG-CG 4.25Å; F80-L90 HydrophobicContact CZ-CG 4.22Å
81Q80.7Confident72.4Confident66 Ų6677.3 Ų77.331%0.30846%0.463SS..EExtended strand (participates in β ladder)trans-125.6128.5179.9-173.9-174.7-21.500111.4I62 N63 I65 G83 E85I62-Q81 CarbonylContact C-O 3.52Å; I62-Q81 VanDerWaalsContact CA-O 3.32Å; I62-Q81 WeakPolarHBondContact CA-O 3.47Å; N63-Q81 PolarHBondContact N-O 3Å; N63-Q81 PolarHBondContact O-N 3.38Å; I65-Q81 HydrophobicContact CG2-CB 4.41Å; Q81-G83 PolarHBondContact NE2-O 3.35Å; Q81-G83 VanDerWaalsContact NE2-O 3.07Å; Q81-E85 WeakPolarHBondContact CA-O 3.41Å; Q81-E85 WeakPolarHBondContact CG-O 3.36Å
82I84.8Confident74.1Confident5 Ų572.3 Ų72.33%0.02643%0.434CS..EExtended strand (participates in β ladder)trans-125.7116.1177.8-173.5177.8000109.2L49 Y60 I62 E84 E85 F87 L93 Y97 L102L49-I82 HydrophobicContact CB-CD1 4.48Å; L49-I82 HydrophobicContact CD2-CD1 3.96Å; Y60-I82 HydrophobicContact CG-CD1 4.46Å; I62-I82 HydrophobicContact CG1-CB 4.07Å; I62-I82 HydrophobicContact CG1-CD1 3.9Å; I62-I82 HydrophobicContact CG1-CG1 4.07Å; I82-E84 PolarHBondContact O-N 3.18Å; I82-E84 VanDerWaalsContact O-N 3.17Å; I82-E85 PolarHBondContact N-O 2.93Å; I82-E85 PolarHBondContact O-N 3.16Å; I82-F87 HydrophobicContact CG2-CD2 3.91Å; I82-F87 HydrophobicContact CG2-CE2 3.51Å; I82-L93 HydrophobicContact CB-CD1 3.86Å; I82-L93 HydrophobicContact CD1-CD1 4.28Å; I82-L93 HydrophobicContact CD1-CD2 4.16Å; I82-L93 HydrophobicContact CG2-CD1 3.43Å; I82-L93 VanDerWaalsContact CG2-CD1 3.43Å; I82-L93 HydrophobicContact CG2-CD2 4.48Å; I82-L93 HydrophobicContact CG2-CG 3.85Å; I82-Y97 HydrophobicContact CD1-CE2 4.26Å; I82-Y97 HydrophobicContact CG2-CE2 3.7Å; I82-L102 HydrophobicContact CD1-CD2 4.19Å
83G81.4Confident75.7Confident59 Ų5968.5 Ų68.561%0.60839%0.394SS*.THydrogen-bonded Turntrans57.8-120-170.700000111.7Q81Q81-G83 PolarHBondContact NE2-O 3.35Å; Q81-G83 VanDerWaalsContact NE2-O 3.07Å
84E79.4Confident77.4Confident189 Ų18964.9 Ų64.988%0.88337%0.369SS*.THydrogen-bonded Turntrans-94-11.6178.8-62.2-177.297.600113.1I82I82-E84 PolarHBondContact O-N 3.18Å; I82-E84 VanDerWaalsContact O-N 3.17Å
85E81.6Confident79Confident86 Ų8667.4 Ų67.440%0.40236%0.362SS..EExtended strand (participates in β ladder)trans-95.1141.7-174.6-62.6-67.789.700111.5Q81 I82 F87Q81-E85 WeakPolarHBondContact CA-O 3.41Å; Q81-E85 WeakPolarHBondContact CG-O 3.36Å; I82-E85 PolarHBondContact N-O 2.93Å; I82-E85 PolarHBondContact O-N 3.16Å; E85-F87 HydrophobicContact CB-CD2 4.47Å; E85-F87 HydrophobicContact CB-CE2 3.48Å; E85-F87 VanDerWaalsContact CB-CE2 3.48Å; E85-F87 HydrophobicContact CB-CZ 3.76Å
86S83.3Confident80.2Confident58 Ų5863.7 Ų63.741%0.40634%0.335SS..EExtended strand (participates in β ladder)trans-121.8140.6179.269.60000111.3N78 F80N78-S86 PolarHBondContact ND2-O 3.26Å; N78-S86 PolarHBondContact ND2-OG 2.76Å; F80-S86 WeakPolarHBondContact O-CA 3.46Å
87F84.6Confident81.6Confident16 Ų1658 Ų587%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-135.7149.3-172.1-61.3-82.2000111.3N78 R79 F80 I82 E85 L93 F96 Y97N78-F87 CarbonylContact C-O 3.55Å; N78-F87 WeakPolarHBondContact CA-O 3.23Å; R79-F87 PolarHBondContact N-O 3.06Å; F80-F87 PolarHBondContact N-O 2.96Å; F80-F87 PolarHBondContact O-N 3.45Å; I82-F87 HydrophobicContact CG2-CD2 3.91Å; I82-F87 HydrophobicContact CG2-CE2 3.51Å; E85-F87 HydrophobicContact CB-CD2 4.47Å; E85-F87 HydrophobicContact CB-CE2 3.48Å; E85-F87 VanDerWaalsContact CB-CE2 3.48Å; E85-F87 HydrophobicContact CB-CZ 3.76Å; F87-L93 HydrophobicContact CB-CB 3.9Å; F87-L93 HydrophobicContact CD1-CB 4.14Å; F87-L93 HydrophobicContact CD2-CB 3.67Å; F87-L93 HydrophobicContact CD2-CD1 3.73Å; F87-L93 HydrophobicContact CD2-CG 3.63Å; F87-L93 HydrophobicContact CE2-CB 4.22Å; F87-L93 HydrophobicContact CE2-CD1 4.24Å; F87-L93 HydrophobicContact CE2-CG 3.86Å; F87-L93 HydrophobicContact CG-CB 3.61Å; F87-L93 HydrophobicContact CG-CD1 4.42Å; F87-L93 HydrophobicContact CG-CG 4.13Å; F87-F96 HydrophobicContact CD1-CB 4.45Å; F87-F96 HydrophobicContact CE1-CB 3.55Å; F87-F96 AromaticContact CE1-CD1 3.84Å; F87-F96 HydrophobicContact CE1-CD1 3.84Å; F87-F96 HydrophobicContact CE1-CD2 4.12Å; F87-F96 AromaticContact CE1-CG 3.58Å; F87-F96 HydrophobicContact CE1-CG 3.58Å; F87-F96 HydrophobicContact CZ-CB 4.07Å; F87-F96 AromaticContact CZ-CD1 3.57Å; F87-F96 HydrophobicContact CZ-CD1 3.57Å; F87-F96 HydrophobicContact CZ-CE1 4.08Å; F87-F96 AromaticContact CZ-CG 3.84Å; F87-F96 HydrophobicContact CZ-CG 3.84Å; F87-Y97 AromaticContact CE2-CE2 3.89Å; F87-Y97 HydrophobicContact CE2-CE2 3.89Å; F87-Y97 AromaticContact CZ-CE2 3.92Å; F87-Y97 HydrophobicContact CZ-CE2 3.92Å
88P81.9Confident82.6Confident48 Ų4854.9 Ų54.931%0.31229%0.286SS..SBendtrans-70.1-39.6177.828.2-34.2000113.6T77 R79 A92T77-P88 WeakPolarHBondContact O-CA 3.36Å; T77-P88 WeakPolarHBondContact O-CB 3.13Å; R79-P88 WeakPolarHBondContact CB-O 3.3Å; P88-A92 HydrophobicContact CG-CB 3.96Å
89E84.7Confident83.1Confident125 Ų12556.9 Ų56.958%0.58430%0.3SS*.SBendtrans-142.7157.9-178.9-55.5-16884.600110.6A92 L93E89-A92 PolarHBondContact O-N 3.17Å; E89-A92 VanDerWaalsContact O-N 3.16Å; E89-L93 PolarHBondContact O-N 2.9Å; E89-L93 VanDerWaalsContact O-N 3.15Å
90L84.4Confident83Confident5 Ų555 Ų553%0.02630%0.296CS..Hα-helixtrans-55.1-43.3174.3-70.9171.6000112.7W13 Y47 I62 F80 A92 L93 L94W13-L90 HydrophobicContact CH2-CB 3.65Å; W13-L90 HydrophobicContact CH2-CD1 3.99Å; W13-L90 HydrophobicContact CH2-CG 4.46Å; W13-L90 HydrophobicContact CZ2-CB 4.44Å; W13-L90 HydrophobicContact CZ3-CB 4.24Å; W13-L90 HydrophobicContact CZ3-CD1 4.13Å; Y47-L90 HydrophobicContact CD1-CD1 4.12Å; Y47-L90 HydrophobicContact CD2-CD1 4.38Å; Y47-L90 HydrophobicContact CE1-CD1 4.19Å; Y47-L90 HydrophobicContact CE2-CD1 4.49Å; Y47-L90 HydrophobicContact CG-CD1 4.2Å; I62-L90 HydrophobicContact CD1-CD2 3.85Å; I62-L90 HydrophobicContact CG2-CD2 3.85Å; F80-L90 HydrophobicContact CD1-CD2 4.13Å; F80-L90 HydrophobicContact CD1-CG 4.18Å; F80-L90 HydrophobicContact CD2-CG 4.33Å; F80-L90 HydrophobicContact CE1-CD1 4.48Å; F80-L90 HydrophobicContact CE1-CG 4.17Å; F80-L90 HydrophobicContact CE2-CG 4.3Å; F80-L90 HydrophobicContact CG-CD2 4.24Å; F80-L90 HydrophobicContact CG-CG 4.25Å; F80-L90 HydrophobicContact CZ-CG 4.22Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 3.38Å; L90-L93 WeakPolarHBondContact O-CB 3.5Å; L90-L93 PolarHBondContact O-N 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.42Å
91P87.3Confident82.7Confident35 Ų3561.8 Ų61.823%0.22732%0.323CS..Hα-helixtrans-55.1-43.3173.6-28.636.7000113.8A7 W13 L93 L94 E95A7-P91 HydrophobicContact CB-CB 4.19Å; A7-P91 WeakPolarHBondContact CB-O 2.96Å; A7-P91 VanDerWaalsContact O-CB 3.29Å; A7-P91 WeakPolarHBondContact O-CB 3.17Å; A7-P91 WeakPolarHBondContact O-CG 3.45Å; W13-P91 HydrophobicContact CZ2-CG 4.23Å; P91-L93 VanDerWaalsContact C-N 3.34Å; P91-L93 PolarHBondContact O-N 2.95Å; P91-L94 PolarHBondContact O-N 3Å; P91-E95 WeakPolarHBondContact O-CB 3.48Å; P91-E95 PolarHBondContact O-N 3.22Å
92A84Confident82.6Confident35 Ų3560 Ų6029%0.28932%0.315SS..Hα-helixtrans-65.2-39179.900000111.9P88 E89 L90 E95 F96P88-A92 HydrophobicContact CG-CB 3.96Å; E89-A92 PolarHBondContact O-N 3.17Å; E89-A92 VanDerWaalsContact O-N 3.16Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 3.38Å; A92-E95 PolarHBondContact O-N 2.93Å; A92-F96 WeakPolarHBondContact O-CB 3.23Å; A92-F96 PolarHBondContact O-N 3.01Å
93L88.5Confident82Confident0 Ų064.7 Ų64.70%034%0.34CS..Hα-helixtrans-59.4-49.8171.7-180163.2000110.7L49 I62 I82 F87 E89 L90 P91 E95 F96 Y97L49-L93 HydrophobicContact CD2-CD2 4.21Å; I62-L93 HydrophobicContact CD1-CD1 4.09Å; I62-L93 HydrophobicContact CD1-CD2 4.45Å; I62-L93 HydrophobicContact CG1-CD1 4.05Å; I62-L93 HydrophobicContact CG2-CD1 4.05Å; I82-L93 HydrophobicContact CB-CD1 3.86Å; I82-L93 HydrophobicContact CD1-CD1 4.28Å; I82-L93 HydrophobicContact CD1-CD2 4.16Å; I82-L93 HydrophobicContact CG2-CD1 3.43Å; I82-L93 VanDerWaalsContact CG2-CD1 3.43Å; I82-L93 HydrophobicContact CG2-CD2 4.48Å; I82-L93 HydrophobicContact CG2-CG 3.85Å; F87-L93 HydrophobicContact CB-CB 3.9Å; F87-L93 HydrophobicContact CD1-CB 4.14Å; F87-L93 HydrophobicContact CD2-CB 3.67Å; F87-L93 HydrophobicContact CD2-CD1 3.73Å; F87-L93 HydrophobicContact CD2-CG 3.63Å; F87-L93 HydrophobicContact CE2-CB 4.22Å; F87-L93 HydrophobicContact CE2-CD1 4.24Å; F87-L93 HydrophobicContact CE2-CG 3.86Å; F87-L93 HydrophobicContact CG-CB 3.61Å; F87-L93 HydrophobicContact CG-CD1 4.42Å; F87-L93 HydrophobicContact CG-CG 4.13Å; E89-L93 PolarHBondContact O-N 2.9Å; E89-L93 VanDerWaalsContact O-N 3.15Å; L90-L93 WeakPolarHBondContact O-CB 3.5Å; L90-L93 PolarHBondContact O-N 3.24Å; P91-L93 VanDerWaalsContact C-N 3.34Å; P91-L93 PolarHBondContact O-N 2.95Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-E95 PolarHBondContact O-N 3.47Å; L93-F96 WeakPolarHBondContact O-CB 3.07Å; L93-F96 PolarHBondContact O-N 2.7Å; L93-Y97 HydrophobicContact CD2-CD2 3.84Å; L93-Y97 HydrophobicContact CD2-CE2 4.15Å; L93-Y97 HydrophobicContact CG-CD2 4.14Å; L93-Y97 HydrophobicContact CG-CE2 4.11Å; L93-Y97 VanDerWaalsContact O-CD2 3.24Å; L93-Y97 WeakPolarHBondContact O-CD2 3.07Å; L93-Y97 PolarHBondContact O-N 2.74Å; L93-Y97 VanDerWaalsContact O-N 3.12Å
94L86.6Confident81.5Confident1 Ų165.1 Ų65.11%0.00533%0.331CS..Hα-helixtrans-62.9-41.8-179.5-64.6176.4000111.6F5 A7 W13 F35 V37 L49 L90 P91 F96 Y97 K98 L107F5-L94 HydrophobicContact CE2-CB 3.88Å; F5-L94 HydrophobicContact CE2-CD1 4.46Å; F5-L94 HydrophobicContact CZ-CB 4.05Å; A7-L94 HydrophobicContact CB-CB 4.13Å; W13-L94 HydrophobicContact CB-CD1 4.44Å; W13-L94 HydrophobicContact CD2-CD1 3.38Å; W13-L94 VanDerWaalsContact CE2-CD1 3.47Å; W13-L94 HydrophobicContact CE3-CD1 3.76Å; W13-L94 HydrophobicContact CG-CD1 3.7Å; W13-L94 HydrophobicContact CH2-CD1 4.3Å; W13-L94 HydrophobicContact CZ2-CD1 3.96Å; W13-L94 HydrophobicContact CZ3-CD1 4.2Å; F35-L94 HydrophobicContact CD2-CD2 4.06Å; F35-L94 HydrophobicContact CE2-CD1 4.04Å; F35-L94 HydrophobicContact CE2-CD2 3.57Å; F35-L94 HydrophobicContact CE2-CG 4.37Å; F35-L94 HydrophobicContact CZ-CD2 4.3Å; V37-L94 HydrophobicContact CG2-CD1 4.45Å; V37-L94 HydrophobicContact CG2-CD2 4.05Å; L49-L94 HydrophobicContact CD1-CD2 3.97Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 3.42Å; P91-L94 PolarHBondContact O-N 3Å; L94-F96 VanDerWaalsContact C-N 3.34Å; L94-F96 PolarHBondContact O-N 2.81Å; L94-Y97 PolarHBondContact O-N 2.86Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.87Å; L94-K98 VanDerWaalsContact O-N 3.15Å; L94-L107 HydrophobicContact CB-CD1 4.29Å; L94-L107 HydrophobicContact CD2-CD1 3.62Å
95E83.4Confident81.4Confident119 Ų11957 Ų5756%0.55629%0.294SS*.Hα-helixtrans-62.9-40.2177.6-173.9162.5101.800112.3A7 P91 A92 L93 K98A7-E95 HydrophobicContact CB-CB 4.39Å; P91-E95 WeakPolarHBondContact O-CB 3.48Å; P91-E95 PolarHBondContact O-N 3.22Å; A92-E95 PolarHBondContact O-N 2.93Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-E95 PolarHBondContact O-N 3.47Å; E95-K98 HydrophobicContact CG-CD 4.41Å; E95-K98 VanDerWaalsContact O-CB 3.29Å; E95-K98 WeakPolarHBondContact O-CB 3.37Å; E95-K98 PolarHBondContact O-N 3.11Å
96F83.4Confident81.6Confident60 Ų6053.9 Ų53.926%0.26328%0.281SS..Hα-helixtrans-60.4-49.9174.8-179.6-95.8000111.6F87 A92 L93 L94 K98 V99 H100F87-F96 HydrophobicContact CD1-CB 4.45Å; F87-F96 HydrophobicContact CE1-CB 3.55Å; F87-F96 AromaticContact CE1-CD1 3.84Å; F87-F96 HydrophobicContact CE1-CD1 3.84Å; F87-F96 HydrophobicContact CE1-CD2 4.12Å; F87-F96 AromaticContact CE1-CG 3.58Å; F87-F96 HydrophobicContact CE1-CG 3.58Å; F87-F96 HydrophobicContact CZ-CB 4.07Å; F87-F96 AromaticContact CZ-CD1 3.57Å; F87-F96 HydrophobicContact CZ-CD1 3.57Å; F87-F96 HydrophobicContact CZ-CE1 4.08Å; F87-F96 AromaticContact CZ-CG 3.84Å; F87-F96 HydrophobicContact CZ-CG 3.84Å; A92-F96 WeakPolarHBondContact O-CB 3.23Å; A92-F96 PolarHBondContact O-N 3.01Å; L93-F96 WeakPolarHBondContact O-CB 3.07Å; L93-F96 PolarHBondContact O-N 2.7Å; L94-F96 VanDerWaalsContact C-N 3.34Å; L94-F96 PolarHBondContact O-N 2.81Å; F96-K98 PolarHBondContact O-N 3.27Å; F96-V99 PolarHBondContact O-N 3.2Å; F96-H100 HydrophobicContact CD1-CB 3.84Å; F96-H100 AromaticContact CD1-CG 3.82Å; F96-H100 AromaticContact CD1-ND1 3.8Å; F96-H100 AromaticContact CD2-CE1 3.58Å; F96-H100 AromaticContact CD2-ND1 3.53Å; F96-H100 HydrophobicContact CE1-CB 3.56Å; F96-H100 AromaticContact CE1-CD2 3.82Å; F96-H100 AromaticContact CE1-CG 3.42Å; F96-H100 VanDerWaalsContact CE1-CG 3.42Å; F96-H100 AromaticContact CE1-ND1 3.77Å; F96-H100 AromaticContact CE2-CD2 3.81Å; F96-H100 AromaticContact CE2-CE1 3.28Å; F96-H100 WeakPolarHBondContact CE2-CE1 3.4Å; F96-H100 AromaticContact CE2-CG 3.81Å; F96-H100 AromaticContact CE2-ND1 3.49Å; F96-H100 WeakPolarHBondContact CE2-ND1 3.24Å; F96-H100 AromaticContact CE2-NE2 3.51Å; F96-H100 AromaticContact CG-ND1 3.69Å; F96-H100 HydrophobicContact CZ-CB 4.09Å; F96-H100 AromaticContact CZ-CD2 3.38Å; F96-H100 WeakPolarHBondContact CZ-CD2 3.24Å; F96-H100 AromaticContact CZ-CE1 3.7Å; F96-H100 AromaticContact CZ-CG 3.43Å; F96-H100 VanDerWaalsContact CZ-CG 3.43Å; F96-H100 AromaticContact CZ-ND1 3.62Å; F96-H100 AromaticContact CZ-NE2 3.59Å; F96-H100 WeakPolarHBondContact O-CB 3.22Å; F96-H100 PolarHBondContact O-N 2.71Å; F96-H100 VanDerWaalsContact O-N 3.12Å; F96-H100 PolarHBondContact O-ND1 3.25Å
97Y83.1Confident81.6Confident20 Ų2051.1 Ų51.18%0.07826%0.262CS..Hα-helixtrans-74.70.8-179.7-70.4-72.1000114.4I82 F87 L93 L94 V99 H100 L102 L107I82-Y97 HydrophobicContact CD1-CE2 4.26Å; I82-Y97 HydrophobicContact CG2-CE2 3.7Å; F87-Y97 AromaticContact CE2-CE2 3.89Å; F87-Y97 HydrophobicContact CE2-CE2 3.89Å; F87-Y97 AromaticContact CZ-CE2 3.92Å; F87-Y97 HydrophobicContact CZ-CE2 3.92Å; L93-Y97 HydrophobicContact CD2-CD2 3.84Å; L93-Y97 HydrophobicContact CD2-CE2 4.15Å; L93-Y97 HydrophobicContact CG-CD2 4.14Å; L93-Y97 HydrophobicContact CG-CE2 4.11Å; L93-Y97 VanDerWaalsContact O-CD2 3.24Å; L93-Y97 WeakPolarHBondContact O-CD2 3.07Å; L93-Y97 PolarHBondContact O-N 2.74Å; L93-Y97 VanDerWaalsContact O-N 3.12Å; L94-Y97 PolarHBondContact O-N 2.86Å; Y97-V99 PolarHBondContact O-N 3.42Å; Y97-H100 HydrophobicContact CD1-CB 4.11Å; Y97-H100 VanDerWaalsContact O-O 3.09Å; Y97-L102 HydrophobicContact CD1-CB 4.5Å; Y97-L102 HydrophobicContact CD1-CD2 3.53Å; Y97-L102 HydrophobicContact CD1-CG 3.54Å; Y97-L102 HydrophobicContact CD2-CD2 4.05Å; Y97-L102 HydrophobicContact CE1-CD2 3.52Å; Y97-L102 HydrophobicContact CE1-CG 3.95Å; Y97-L102 HydrophobicContact CE2-CD2 4.06Å; Y97-L102 HydrophobicContact CG-CD2 3.8Å; Y97-L102 HydrophobicContact CG-CG 3.94Å; Y97-L107 PolarHBondContact O-N 3.22Å
98K81.3Confident81.4Confident30 Ų3051.6 Ų51.613%0.1327%0.267CS..THydrogen-bonded Turntrans-62.7-30.7166-73.1176.4179177.20112.7F5 L94 E95 F96F5-K98 HydrophobicContact CD1-CG 4.34Å; F5-K98 HydrophobicContact CE1-CD 4.08Å; F5-K98 HydrophobicContact CE1-CG 3.45Å; F5-K98 VanDerWaalsContact CE1-CG 3.45Å; F5-K98 HydrophobicContact CZ-CD 4.1Å; F5-K98 HydrophobicContact CZ-CG 3.57Å; F5-K98 WeakPolarHBondContact O-CE 3.12Å; F5-K98 PolarHBondContact O-NZ 2.8Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.87Å; L94-K98 VanDerWaalsContact O-N 3.15Å; E95-K98 HydrophobicContact CG-CD 4.41Å; E95-K98 VanDerWaalsContact O-CB 3.29Å; E95-K98 WeakPolarHBondContact O-CB 3.37Å; E95-K98 PolarHBondContact O-N 3.11Å; F96-K98 PolarHBondContact O-N 3.27Å
99V78.3Confident81.5Confident98 Ų9852.8 Ų52.859%0.59427%0.269SS*.THydrogen-bonded Turntrans-124.6-8.5-176.4-60.60000112.8F96 Y97F96-V99 PolarHBondContact O-N 3.2Å; Y97-V99 PolarHBondContact O-N 3.42Å
100H76.4Confident81.5Confident81 Ų8148.1 Ų48.138%0.37525%0.249SC..SBendtrans-104.7136.6173.9-64.183000110.8F96 Y97F96-H100 HydrophobicContact CD1-CB 3.84Å; F96-H100 AromaticContact CD1-CG 3.82Å; F96-H100 AromaticContact CD1-ND1 3.8Å; F96-H100 AromaticContact CD2-CE1 3.58Å; F96-H100 AromaticContact CD2-ND1 3.53Å; F96-H100 HydrophobicContact CE1-CB 3.56Å; F96-H100 AromaticContact CE1-CD2 3.82Å; F96-H100 AromaticContact CE1-CG 3.42Å; F96-H100 VanDerWaalsContact CE1-CG 3.42Å; F96-H100 AromaticContact CE1-ND1 3.77Å; F96-H100 AromaticContact CE2-CD2 3.81Å; F96-H100 AromaticContact CE2-CE1 3.28Å; F96-H100 WeakPolarHBondContact CE2-CE1 3.4Å; F96-H100 AromaticContact CE2-CG 3.81Å; F96-H100 AromaticContact CE2-ND1 3.49Å; F96-H100 WeakPolarHBondContact CE2-ND1 3.24Å; F96-H100 AromaticContact CE2-NE2 3.51Å; F96-H100 AromaticContact CG-ND1 3.69Å; F96-H100 HydrophobicContact CZ-CB 4.09Å; F96-H100 AromaticContact CZ-CD2 3.38Å; F96-H100 WeakPolarHBondContact CZ-CD2 3.24Å; F96-H100 AromaticContact CZ-CE1 3.7Å; F96-H100 AromaticContact CZ-CG 3.43Å; F96-H100 VanDerWaalsContact CZ-CG 3.43Å; F96-H100 AromaticContact CZ-ND1 3.62Å; F96-H100 AromaticContact CZ-NE2 3.59Å; F96-H100 WeakPolarHBondContact O-CB 3.22Å; F96-H100 PolarHBondContact O-N 2.71Å; F96-H100 VanDerWaalsContact O-N 3.12Å; F96-H100 PolarHBondContact O-ND1 3.25Å; Y97-H100 HydrophobicContact CD1-CB 4.11Å; Y97-H100 VanDerWaalsContact O-O 3.09Å
101Y77.6Confident81.4Confident162 Ų16248.1 Ų48.164%0.63525%0.249SC*.  trans-72.8134.3177.9-71.6-88.1000110.4T104 T106Y101-T104 WeakPolarHBondContact CD1-O 3.27Å; Y101-T106 HydrophobicContact CD1-CG2 3.96Å; Y101-T106 HydrophobicContact CD2-CG2 4.23Å; Y101-T106 HydrophobicContact CE1-CG2 4.03Å; Y101-T106 HydrophobicContact CE2-CG2 4.28Å; Y101-T106 HydrophobicContact CG-CG2 4.08Å
102L78.7Confident80.8Confident27 Ų2753.4 Ų53.414%0.14127%0.271CS..SBendtrans-77.5-60.1170.7-78.5157.5000110.9L49 V51 Y60 I82 Y97 T105 L107L49-L102 HydrophobicContact CD2-CD1 4.06Å; L49-L102 HydrophobicContact CD2-CD2 4.2Å; V51-L102 HydrophobicContact CG2-CD1 3.74Å; Y60-L102 HydrophobicContact CD1-CD2 4.22Å; Y60-L102 HydrophobicContact CD2-CD1 4.3Å; Y60-L102 HydrophobicContact CD2-CD2 4.2Å; Y60-L102 HydrophobicContact CE1-CB 4.01Å; Y60-L102 HydrophobicContact CE1-CD2 4.29Å; Y60-L102 HydrophobicContact CE2-CB 4.04Å; Y60-L102 HydrophobicContact CE2-CD1 3.95Å; Y60-L102 HydrophobicContact CE2-CD2 4.28Å; Y60-L102 HydrophobicContact CE2-CG 4.34Å; Y60-L102 HydrophobicContact CG-CD2 4.18Å; I82-L102 HydrophobicContact CD1-CD2 4.19Å; Y97-L102 HydrophobicContact CD1-CB 4.5Å; Y97-L102 HydrophobicContact CD1-CD2 3.53Å; Y97-L102 HydrophobicContact CD1-CG 3.54Å; Y97-L102 HydrophobicContact CD2-CD2 4.05Å; Y97-L102 HydrophobicContact CE1-CD2 3.52Å; Y97-L102 HydrophobicContact CE1-CG 3.95Å; Y97-L102 HydrophobicContact CE2-CD2 4.06Å; Y97-L102 HydrophobicContact CG-CD2 3.8Å; Y97-L102 HydrophobicContact CG-CG 3.94Å; L102-T105 PolarHBondContact N-O 2.76Å; L102-L107 HydrophobicContact CD1-CD2 3.66Å; L102-L107 HydrophobicContact CD1-CG 4.2Å
103D71.8Confident79.8Confident105 Ų10555.2 Ų55.256%0.56127%0.272SS*.SBendtrans-129.7-58.6173.7-162.1-107.3000108.9Y60Y60-D103 VanDerWaalsContact OH-CB 3.25Å; Y60-D103 WeakPolarHBondContact OH-CB 3.38Å
104T71.5Confident77.9Confident67 Ų6759.5 Ų59.541%0.41130%0.302SS..SBendtrans-137.3-6.5176.167.90000113.7E53 N54 Y101E53-T104 WeakPolarHBondContact CG-OG1 3.39Å; E53-T104 WeakPolarHBondContact OE2-CA 3.46Å; E53-T104 PolarHBondContact OE2-N 3.05Å; E53-T104 PolarHBondContact OE2-OG1 3Å; N54-T104 PolarHBondContact ND2-OG1 3Å; Y101-T104 WeakPolarHBondContact CD1-O 3.27Å
105T76.6Confident75.9Confident19 Ų1970.7 Ų70.712%0.11734%0.344CS..  trans-127.8156.7177.3-158.90000113.2V51 E53 L102V51-T105 HydrophobicContact CG1-CG2 3.76Å; E53-T105 HydrophobicContact CB-CG2 3.94Å; E53-T105 HydrophobicContact CG-CG2 3.89Å; E53-T105 PolarHBondContact OE2-N 3.04Å; L102-T105 PolarHBondContact N-O 2.76Å
106T86.1Confident73.6Confident21 Ų2171.1 Ų71.113%0.12936%0.361CS..  trans-99.7158.2170.258.20000109.6G33 Y101 C108G33-T106 WeakPolarHBondContact CA-O 3.4Å; Y101-T106 HydrophobicContact CD1-CG2 3.96Å; Y101-T106 HydrophobicContact CD2-CG2 4.23Å; Y101-T106 HydrophobicContact CE1-CG2 4.03Å; Y101-T106 HydrophobicContact CE2-CG2 4.28Å; Y101-T106 HydrophobicContact CG-CG2 4.08Å; T106-C108 PolarHBondContact O-N 2.96Å
107L83.6Confident71.4Confident0 Ų071.9 Ų71.90%038%0.378CS..  trans-70.1119.7175-60.7-175.5000110.5G3 F5 F35 L49 V51 L94 Y97 L102G3-L107 WeakPolarHBondContact CA-O 3.38Å; F5-L107 HydrophobicContact CE1-CB 3.74Å; F5-L107 HydrophobicContact CZ-CB 3.98Å; F5-L107 HydrophobicContact CZ-CD1 4.26Å; F35-L107 HydrophobicContact CB-CD2 3.69Å; F35-L107 HydrophobicContact CD1-CB 3.93Å; F35-L107 HydrophobicContact CD1-CD1 4.44Å; F35-L107 HydrophobicContact CD1-CD2 3.74Å; F35-L107 HydrophobicContact CD1-CG 4.25Å; F35-L107 HydrophobicContact CD2-CD1 4.46Å; F35-L107 HydrophobicContact CD2-CD2 4.3Å; F35-L107 HydrophobicContact CE1-CB 4.01Å; F35-L107 HydrophobicContact CE1-CD1 4.47Å; F35-L107 HydrophobicContact CE2-CD1 4.48Å; F35-L107 HydrophobicContact CG-CD1 4.46Å; F35-L107 HydrophobicContact CG-CD2 3.64Å; F35-L107 HydrophobicContact CG-CG 4.46Å; L49-L107 HydrophobicContact CD1-CD2 4.47Å; L49-L107 HydrophobicContact CD2-CD1 4.35Å; L49-L107 HydrophobicContact CD2-CD2 4.4Å; V51-L107 HydrophobicContact CG1-CD2 4.22Å; V51-L107 HydrophobicContact CG2-CD2 3.83Å; L94-L107 HydrophobicContact CB-CD1 4.29Å; L94-L107 HydrophobicContact CD2-CD1 3.62Å; Y97-L107 PolarHBondContact O-N 3.22Å; L102-L107 HydrophobicContact CD1-CD2 3.66Å; L102-L107 HydrophobicContact CD1-CG 4.2Å
108C80.3Confident69.2Low26 Ų2676.9 Ų76.918%0.17641%0.413CS..  trans-101.7-51.2-178-167.10000111.6G3 H4 F5 G33 T106G3-C108 CarbonylContact C-O 3.5Å; G3-C108 VanDerWaalsContact CA-O 3.26Å; G3-C108 WeakPolarHBondContact CA-O 3.1Å; H4-C108 PolarHBondContact N-O 3.17Å; H4-C108 VanDerWaalsContact N-O 3.09Å; F5-C108 WeakPolarHBondContact CD1-O 3.49Å; G33-C108 PolarHBondContact O-N 2.95Å; T106-C108 PolarHBondContact O-N 2.96Å
109E84.8Confident67.2Low73 Ų7380.2 Ų80.234%0.34145%0.446SS..EExtended strand (participates in β ladder)trans-160.1149.7-175.363.3-16593.900111.8V34 F35V34-E109 CarbonylContact C-O 3.39Å; V34-E109 VanDerWaalsContact CA-O 3.25Å; V34-E109 WeakPolarHBondContact CA-O 3.43Å; V34-E109 HydrophobicContact CB-CG 4.48Å; V34-E109 HydrophobicContact CG2-CG 3.72Å; F35-E109 WeakPolarHBondContact CD1-O 3.47Å; F35-E109 WeakPolarHBondContact CE1-O 3.28Å; F35-E109 PolarHBondContact N-O 2.88Å
110P83.9Confident65.6Low26 Ų2681.2 Ų81.217%0.16945%0.454CS..EExtended strand (participates in β ladder)trans-73.4147.6173.830.7-35.5000111F5 W13 F35 E112F5-P110 HydrophobicContact CB-CG 4.18Å; W13-P110 HydrophobicContact CB-CB 3.8Å; F35-P110 HydrophobicContact CE1-CB 4.44Å; F35-P110 HydrophobicContact CZ-CB 4.19Å; F35-P110 CarbonylContact O-C 3.5Å; F35-P110 VanDerWaalsContact O-CA 3.24Å; F35-P110 WeakPolarHBondContact O-CA 3.13Å; P110-E112 PolarHBondContact O-N 2.79Å
111V82.4Confident64.1Low6 Ų683 Ų834%0.03647%0.473CS..PPolyproline II helixtrans-62.7133.7175.674.30000109.9W15 L26 L27 V34 F35 L36 K113W15-V111 VanDerWaalsContact CE2-CG1 3.47Å; W15-V111 HydrophobicContact CZ2-CG1 3.54Å; L26-V111 HydrophobicContact CB-CG2 4.31Å; L27-V111 HydrophobicContact CD2-CB 3.97Å; L27-V111 HydrophobicContact CD2-CG2 4.17Å; V34-V111 HydrophobicContact CG1-CB 3.87Å; V34-V111 HydrophobicContact CG1-CG2 4.21Å; F35-V111 PolarHBondContact O-N 2.74Å; L36-V111 HydrophobicContact CB-CG1 3.59Å; L36-V111 HydrophobicContact CD2-CG1 3.69Å; L36-V111 HydrophobicContact CG-CG1 4.28Å; V111-K113 PolarHBondContact O-N 2.92Å
112E73.6Confident62.3Low145 Ų14579.6 Ų79.668%0.67848%0.478SS*.PPolyproline II helixtrans-62.9121.5179.4-69.4-17282.500110.4P110 S114P110-E112 PolarHBondContact O-N 2.79Å; E112-S114 PolarHBondContact O-N 2.88Å
113K63.4Low60.5Low73 Ų7384.5 Ų84.532%0.31751%0.51SS..  trans-68.774.1166.6-74.3179177.1-174.90109.2D11 Y14 W15 V111 R115D11-K113 VanDerWaalsContact O-CD 3.29Å; D11-K113 WeakPolarHBondContact O-CD 3.4Å; D11-K113 WeakPolarHBondContact O-CE 3.29Å; D11-K113 PolarHBondContact O-NZ 3.39Å; D11-K113 IonicContact OD1-NZ 3.81Å; D11-K113 PolarHBondContact OD1-NZ 3.3Å; Y14-K113 WeakPolarHBondContact O-CE 3.43Å; Y14-K113 PolarHBondContact O-NZ 3.5Å; W15-K113 HydrophobicContact CD2-CG 4.12Å; W15-K113 VanDerWaalsContact CE2-CG 3.44Å; W15-K113 HydrophobicContact CH2-CB 4.2Å; W15-K113 HydrophobicContact CH2-CG 3.84Å; W15-K113 VanDerWaalsContact CZ2-CA 3.47Å; W15-K113 HydrophobicContact CZ2-CB 3.94Å; W15-K113 HydrophobicContact CZ2-CG 3.3Å; W15-K113 HydrophobicContact CZ3-CG 4.4Å; V111-K113 PolarHBondContact O-N 2.92Å; K113-R115 VanDerWaalsContact C-N 3.32Å; K113-R115 PolarHBondContact O-N 3.32Å
114S49.1Very low59.4Low90 Ų9084.6 Ų84.663%0.62952%0.516SS*.  trans-57.7100.3164-74.70000107.2E112 S116E112-S114 PolarHBondContact O-N 2.88Å; S114-S116 VanDerWaalsContact C-N 3.28Å; S114-S116 PolarHBondContact O-N 2.83Å
115R43.7Very low57.6Low237 Ų23790.8 Ų90.889%0.89454%0.54SS*.  trans-61.793174.6-77.4-175.5-163.9-1804.7108.3K113 A117K113-R115 VanDerWaalsContact C-N 3.32Å; K113-R115 PolarHBondContact O-N 3.32Å; R115-A117 PolarHBondContact O-N 2.79Å
116S36.5Very low55.6Low128 Ų12899 Ų9990%0.89558%0.577SS**  trans-72.574.716236.20000109.1S114S114-S116 VanDerWaalsContact C-N 3.28Å; S114-S116 PolarHBondContact O-N 2.83Å
117A36Very low53.1Low76 Ų76104.9 Ų104.963%0.62861%0.613SS**SBendtrans-144.7139.8160.400000109R115R115-A117 PolarHBondContact O-N 2.79Å
118P37.2Very low51Low125 Ų125114 Ų11481%0.81265%0.653SS**  trans-65.6140.4-179.729.5-32.5000109.8
119A39.9Very low49.5Very low99 Ų99119.4 Ų119.482%0.81868%0.676SS**  trans-50.4147.8-176.800000113.4
120P43.9Very low48.2Very low120 Ų120122.2 Ų122.278%0.77969%0.689SS**  -144.5-166.698.444.9-28.7000112.7
121P45.4Very low47.6Very low119 Ų119122.8 Ų122.877%0.77369%0.689SS**  -101.9160.8-112.918.16.5000115.2
122A40.5Very low47.5Very low89 Ų89124.9 Ų124.974%0.73670%0.698SS**  trans2.1133.3159.600000118.1
123T39.5Very low47.8Very low131 Ų131118 Ų11880%0.80467%0.666SS**  cis168.4-174.741.66.80000106.9
124P50Low48.6Very low106 Ų106120.3 Ų120.369%0.68867%0.673SS**  cis-134.6146.1-24.534.3-15.7000114.5
125Q32.8Very low50Low198 Ų198116.1 Ų116.193%0.92564%0.643SS**SBendtrans160.7107.4146.2-95.816740.200105.9
126Q34.6Very low51.5Low190 Ų190107.4 Ų107.489%0.88862%0.616SS**  -145.6135.350.5-153.6166.713.400108.6K128Q126-K128 PolarHBondContact O-N 3.06Å
127T33.5Very low52.9Low146 Ų146103.4 Ų103.490%0.89658%0.583SS**  trans-65.674.3179.2-40.90000110.5E129T127-E129 PolarHBondContact O-N 3.32Å
128K40Very low54.2Low190 Ų190104.9 Ų104.983%0.82658%0.58SS**  trans-80.2109.9156.4-135.7173.3-176.5-174.30104.1Q126 Q130Q126-K128 PolarHBondContact O-N 3.06Å; K128-Q130 PolarHBondContact O-N 2.77Å
129E48.3Very low55.6Low141 Ų141100 Ų10066%0.65955%0.546SS*.  trans-26.1107.1176.7-131.2148.392.300110.4T127 E131 R187T127-E129 PolarHBondContact O-N 3.32Å; E129-E131 PolarHBondContact O-N 3.22Å; E129-R187 IonicContact OE1-NH2 3.7Å; E129-R187 PolarHBondContact OE1-NH2 2.82Å; E129-R187 VanDerWaalsContact OE1-NH2 3.09Å
130Q57.7Low56.4Low132 Ų132100.5 Ų100.562%0.61754%0.541SS*.  trans-63.596.2176.7-70.7179.335.900105.9K128 F132K128-Q130 PolarHBondContact O-N 2.77Å; Q130-F132 HydrophobicContact CB-CD2 4.43Å; Q130-F132 HydrophobicContact CB-CE2 3.71Å; Q130-F132 HydrophobicContact CB-CZ 4.26Å; Q130-F132 VanDerWaalsContact O-CD2 3.22Å; Q130-F132 WeakPolarHBondContact O-CD2 3.42Å; Q130-F132 WeakPolarHBondContact O-CE2 3.47Å; Q130-F132 PolarHBondContact O-N 2.81Å
131E72.6Confident57Low38 Ų3896 Ų9618%0.17852%0.516CS..  trans-80.8111.4-178-158.417779.400106.3E129 V157 K160 K185E129-E131 PolarHBondContact O-N 3.22Å; E131-V157 HydrophobicContact CB-CB 4.41Å; E131-V157 VanDerWaalsContact O-CB 3.24Å; E131-V157 WeakPolarHBondContact O-CB 3.44Å; E131-V157 WeakPolarHBondContact O-CG2 3.28Å; E131-V157 PolarHBondContact O-N 3.11Å; E131-K160 WeakPolarHBondContact OE1-CE 3.29Å; E131-K160 IonicContact OE1-NZ 3.14Å; E131-K160 PolarHBondContact OE1-NZ 2.75Å; E131-K160 IonicContact OE2-NZ 2.75Å; E131-K160 PolarHBondContact OE2-NZ 3.11Å; E131-K185 WeakPolarHBondContact OE1-CE 3.13Å; E131-K185 IonicContact OE1-NZ 3.03Å; E131-K185 VanDerWaalsContact OE2-CE 3.3Å; E131-K185 WeakPolarHBondContact OE2-CE 3.38Å; E131-K185 IonicContact OE2-NZ 3.62Å; E131-K185 PolarHBondContact OE2-NZ 2.61Å
132F80.4Confident57.1Low50 Ų5096.8 Ų96.822%0.21951%0.514CS..EExtended strand (participates in β ladder)trans-90.5148.6170.1-62.2-96.7000107.8Q130 V154 L155 R156 Y186 P188Q130-F132 HydrophobicContact CB-CD2 4.43Å; Q130-F132 HydrophobicContact CB-CE2 3.71Å; Q130-F132 HydrophobicContact CB-CZ 4.26Å; Q130-F132 VanDerWaalsContact O-CD2 3.22Å; Q130-F132 WeakPolarHBondContact O-CD2 3.42Å; Q130-F132 WeakPolarHBondContact O-CE2 3.47Å; Q130-F132 PolarHBondContact O-N 2.81Å; F132-V154 HydrophobicContact CB-CG1 4Å; F132-V154 HydrophobicContact CD1-CG1 4.02Å; F132-V154 HydrophobicContact CG-CG1 4.4Å; F132-L155 CarbonylContact C-O 3.56Å; F132-L155 WeakPolarHBondContact CA-O 2.95Å; F132-R156 HydrophobicContact CD1-CB 3.91Å; F132-R156 HydrophobicContact CD1-CG 4.15Å; F132-R156 HydrophobicContact CE1-CB 3.77Å; F132-R156 HydrophobicContact CE1-CG 3.77Å; F132-R156 HydrophobicContact CZ-CG 4.15Å; F132-Y186 CarbonylContact C-O 3.39Å; F132-Y186 HydrophobicContact CB-CD1 4.44Å; F132-Y186 VanDerWaalsContact CB-O 3.27Å; F132-Y186 WeakPolarHBondContact CB-O 3.34Å; F132-Y186 CarbonylContact O-C 3.58Å; F132-Y186 PolarHBondContact O-N 2.77Å; F132-P188 HydrophobicContact CD2-CG 3.86Å; F132-P188 HydrophobicContact CE2-CG 4.21Å; F132-P188 HydrophobicContact CG-CG 4.38Å
133V79.3Confident57.5Low0 Ų097.4 Ų97.40%051%0.505CS..EExtended strand (participates in β ladder)trans-128143.8173.2-63.30000108.1V154 L155 V157 W166 I178 V183 E184V133-V154 CarbonylContact O-C 3.51Å; V133-V154 WeakPolarHBondContact O-CA 3.4Å; V133-L155 HydrophobicContact CG2-CB 3.9Å; V133-L155 PolarHBondContact N-O 3.31Å; V133-L155 PolarHBondContact O-N 3.13Å; V133-V157 HydrophobicContact CB-CG2 4.23Å; V133-V157 HydrophobicContact CG1-CG2 3.46Å; V133-V157 VanDerWaalsContact CG1-CG2 3.46Å; V133-V157 HydrophobicContact CG2-CG2 3.8Å; V133-W166 HydrophobicContact CG1-CE3 4.1Å; V133-W166 HydrophobicContact CG1-CZ3 3.75Å; V133-I178 HydrophobicContact CG2-CD1 3.71Å; V133-V183 HydrophobicContact CB-CB 3.83Å; V133-V183 HydrophobicContact CB-CG2 3.92Å; V133-V183 HydrophobicContact CG1-CG2 4.22Å; V133-V183 HydrophobicContact CG2-CB 3.75Å; V133-V183 HydrophobicContact CG2-CG1 4.18Å; V133-V183 HydrophobicContact CG2-CG2 3.82Å; V133-E184 CarbonylContact C-O 3.55Å; V133-E184 WeakPolarHBondContact CA-O 3.28Å; V133-E184 WeakPolarHBondContact CB-O 3.32Å
134R80.4Confident57.9Low122 Ų12299.6 Ų99.646%0.4651%0.512SS..EExtended strand (participates in β ladder)trans-104126.1174.2-173.5177.6-175.9-155.4-5.8108.1V136 G152 D153 V154 V183 E184 Y186R134-V136 PolarHBondContact O-N 3.18Å; R134-G152 PolarHBondContact NE-O 2.77Å; R134-D153 CarbonylContact C-O 3.55Å; R134-D153 VanDerWaalsContact CA-O 3.32Å; R134-D153 WeakPolarHBondContact CA-O 3.39Å; R134-V154 HydrophobicContact CG-CG2 4.47Å; R134-V183 CarbonylContact O-C 3.49Å; R134-V183 WeakPolarHBondContact O-CA 3.43Å; R134-E184 PolarHBondContact N-O 2.88Å; R134-E184 PolarHBondContact O-N 3.45Å; R134-Y186 HydrophobicContact CB-CD2 4.28Å; R134-Y186 HydrophobicContact CB-CG 4.16Å
135A78Confident58.1Low1 Ų1101.5 Ų101.51%0.00851%0.511CS..EExtended strand (participates in β ladder)trans-58.5121.1171.400000110F149 K150 G152 D153A135-F149 HydrophobicContact CB-CD2 3.31Å; A135-F149 HydrophobicContact CB-CE2 3.74Å; A135-F149 HydrophobicContact CB-CG 4.19Å; A135-K150 WeakPolarHBondContact CB-O 3.3Å; A135-G152 PolarHBondContact O-N 3.32Å; A135-D153 HydrophobicContact CB-CB 4.27Å; A135-D153 PolarHBondContact N-O 2.83Å
136V74.6Confident59.9Low55 Ų5592.7 Ų92.733%0.33347%0.47SS..SBendtrans-97.1-11.1171.8-72.10000111.3R134 V151 Y182 E184R134-V136 PolarHBondContact O-N 3.18Å; V136-V151 WeakPolarHBondContact O-CG2 3.1Å; V136-Y182 VanDerWaalsContact CG2-O 3.3Å; V136-Y182 WeakPolarHBondContact CG2-O 3.06Å; V136-Y182 PolarHBondContact N-O 2.97Å; V136-E184 HydrophobicContact CG1-CB 3.92Å
137F66.2Low61.8Low44 Ų4483.7 Ų83.719%0.19343%0.429CS..SBendtrans-130.9165.3173.1-63.6-78.6000111.8F149 V151 Y182 Q219F137-F149 WeakPolarHBondContact O-CD2 3.25Å; F137-F149 VanDerWaalsContact O-CE2 3.28Å; F137-F149 WeakPolarHBondContact O-CE2 3.1Å; F137-V151 PolarHBondContact O-N 2.77Å; F137-Y182 HydrophobicContact CB-CD1 3.46Å; F137-Y182 VanDerWaalsContact CB-CD1 3.46Å; F137-Y182 HydrophobicContact CB-CE1 3.94Å; F137-Y182 HydrophobicContact CB-CG 4Å; F137-Y182 HydrophobicContact CD2-CG 4.37Å; F137-Y182 HydrophobicContact CG-CD1 4.32Å; F137-Y182 PolarHBondContact N-O 3.42Å; F137-Q219 HydrophobicContact CE1-CB 4.38Å; F137-Q219 HydrophobicContact CE1-CG 4.18Å; F137-Q219 HydrophobicContact CZ-CG 4.38Å
138N62.5Low63.6Low106 Ų10679.4 Ų79.457%0.56740%0.403SS*.  trans-87.9141.116970.599.5000109.1F149N138-F149 CarbonylContact C-O 3.59Å; N138-F149 WeakPolarHBondContact CA-O 3.32Å
139F68.4Low65.4Low24 Ų2470.6 Ų70.611%0.10537%0.365CS..BIsolated β-bridgetrans-135.3112.2176.8-179.4-118.6000107.8G141 D146 L147 P148 F149 W165 P179 Y182F139-G141 PolarHBondContact O-N 2.88Å; F139-D146 HydrophobicContact CE1-CB 3.68Å; F139-D146 HydrophobicContact CZ-CB 3.92Å; F139-L147 VanDerWaalsContact CD1-O 3.24Å; F139-L147 WeakPolarHBondContact CD1-O 3.17Å; F139-P148 CarbonylContact O-C 3.52Å; F139-P148 WeakPolarHBondContact O-CA 3.37Å; F139-F149 HydrophobicContact CB-CD1 3.98Å; F139-F149 HydrophobicContact CB-CD2 4Å; F139-F149 HydrophobicContact CB-CE1 3.56Å; F139-F149 HydrophobicContact CB-CE2 3.64Å; F139-F149 HydrophobicContact CB-CG 4.17Å; F139-F149 HydrophobicContact CB-CZ 3.4Å; F139-F149 HydrophobicContact CD1-CD1 4.02Å; F139-F149 AromaticContact CD1-CE1 3.56Å; F139-F149 HydrophobicContact CD1-CE1 3.56Å; F139-F149 HydrophobicContact CD1-CZ 4.18Å; F139-F149 HydrophobicContact CG-CD1 4.48Å; F139-F149 AromaticContact CG-CE1 3.89Å; F139-F149 HydrophobicContact CG-CE1 3.89Å; F139-F149 HydrophobicContact CG-CZ 4.04Å; F139-F149 PolarHBondContact N-O 2.83Å; F139-F149 PolarHBondContact O-N 3.18Å; F139-F149 VanDerWaalsContact O-O 3.12Å; F139-W165 HydrophobicContact CZ-CH2 4.06Å; F139-W165 HydrophobicContact CZ-CZ3 4.12Å; F139-P179 HydrophobicContact CD2-CG 4.21Å; F139-P179 HydrophobicContact CE2-CG 4.26Å; F139-P179 HydrophobicContact CG-CG 4.45Å; F139-Y182 HydrophobicContact CB-CD1 4.23Å
140P56.7Low66.5Low109 Ų10971 Ų7171%0.70837%0.365SS*.  trans-77.7-6.2-176.829.3-33.6000113.9P148P140-P148 WeakPolarHBondContact O-CB 3.45Å
141G56Low67.1Low25 Ų2569.3 Ų69.326%0.25836%0.363SS..  trans73.8124.4-169.400000110.6F139F139-G141 PolarHBondContact O-N 2.88Å
142N46.7Very low67Low136 Ų13668.7 Ų68.773%0.72737%0.366SS*.SBendtrans-97.8-28.9179.4-170.378.3000111.4D146N142-D146 WeakPolarHBondContact CA-OD2 3.44Å; N142-D146 WeakPolarHBondContact CB-OD2 3.21Å; N142-D146 PolarHBondContact N-OD2 3.1Å
143D50.3Low66.7Low101 Ų10168.7 Ų68.754%0.5437%0.369SS..SBendtrans-127.2163.4-178.1-69.4-87.2000111.8E145 D146D143-E145 PolarHBondContact O-N 3.02Å; D143-D146 PolarHBondContact N-OD2 3.49Å; D143-D146 VanDerWaalsContact O-CB 3.31Å; D143-D146 WeakPolarHBondContact O-CB 3.45Å; D143-D146 PolarHBondContact O-N 2.89Å
144D47.8Very low66.9Low177 Ų17770.4 Ų70.495%0.94738%0.379SS*.THydrogen-bonded Turntrans-66.9-16.5-178.5-155.1-108.6000112.7
145E54.3Low66.9Low147 Ų14764.6 Ų64.669%0.68736%0.357SS*.THydrogen-bonded Turntrans-90.2-7.8176.4-58.1-169.992.800113D143 G176 M177D143-E145 PolarHBondContact O-N 3.02Å; E145-G176 CarbonylContact O-C 3.51Å; E145-G176 VanDerWaalsContact O-CA 3.25Å; E145-G176 WeakPolarHBondContact O-CA 3.06Å; E145-M177 HydrophobicContact CB-CE 4.07Å; E145-M177 PolarHBondContact O-N 3.3Å
146D70.2Confident67.1Low12 Ų1269.8 Ų69.86%0.06438%0.377CS..BIsolated β-bridgetrans-84.5139.3179.9-73.5-30.5000111.8F139 N142 D143 P148 W165F139-D146 HydrophobicContact CE1-CB 3.68Å; F139-D146 HydrophobicContact CZ-CB 3.92Å; N142-D146 WeakPolarHBondContact CA-OD2 3.44Å; N142-D146 WeakPolarHBondContact CB-OD2 3.21Å; N142-D146 PolarHBondContact N-OD2 3.1Å; D143-D146 PolarHBondContact N-OD2 3.49Å; D143-D146 VanDerWaalsContact O-CB 3.31Å; D143-D146 WeakPolarHBondContact O-CB 3.45Å; D143-D146 PolarHBondContact O-N 2.89Å; D146-P148 WeakPolarHBondContact O-CD 3.43Å; D146-W165 VanDerWaalsContact OD1-CZ3 3.27Å; D146-W165 WeakPolarHBondContact OD1-CZ3 3.38Å
147L74Confident67.3Low2 Ų267.9 Ų67.91%0.0137%0.365CS..  trans-89.9109.1173.7-17670.7000110.3F139 F149 L155 A168 R174 M177 I178F139-L147 VanDerWaalsContact CD1-O 3.24Å; F139-L147 WeakPolarHBondContact CD1-O 3.17Å; L147-F149 WeakPolarHBondContact O-CD1 3.42Å; L147-F149 PolarHBondContact O-N 3.21Å; L147-L155 HydrophobicContact CD2-CD1 4.48Å; L147-L155 HydrophobicContact CD2-CD2 4.1Å; L147-A168 HydrophobicContact CD2-CB 4.42Å; L147-A168 WeakPolarHBondContact CD2-O 3.21Å; L147-R174 HydrophobicContact CD1-CB 3.59Å; L147-R174 VanDerWaalsContact CD1-O 3.31Å; L147-R174 WeakPolarHBondContact CD1-O 2.96Å; L147-M177 PolarHBondContact N-O 3.27Å; L147-I178 HydrophobicContact CB-CG2 3.78Å; L147-I178 HydrophobicContact CD2-CG2 3.88Å; L147-I178 HydrophobicContact CG-CG2 4.34Å
148P71.4Confident67.6Low55 Ų5569.4 Ų69.436%0.35738%0.375SS..  trans-68.6133.1173.127.2-34.4000111.3F139 P140 D146F139-P148 CarbonylContact O-C 3.52Å; F139-P148 WeakPolarHBondContact O-CA 3.37Å; P140-P148 WeakPolarHBondContact O-CB 3.45Å; D146-P148 WeakPolarHBondContact O-CD 3.43Å
149F77.1Confident67.8Low5 Ų568.3 Ų68.32%0.02237%0.369CS..BIsolated β-bridgetrans-144.9158.6177.958.1-100.4000111.9A135 F137 N138 F139 L147 D153 L155 I178 P179 Y182 V183A135-F149 HydrophobicContact CB-CD2 3.31Å; A135-F149 HydrophobicContact CB-CE2 3.74Å; A135-F149 HydrophobicContact CB-CG 4.19Å; F137-F149 WeakPolarHBondContact O-CD2 3.25Å; F137-F149 VanDerWaalsContact O-CE2 3.28Å; F137-F149 WeakPolarHBondContact O-CE2 3.1Å; N138-F149 CarbonylContact C-O 3.59Å; N138-F149 WeakPolarHBondContact CA-O 3.32Å; F139-F149 HydrophobicContact CB-CD1 3.98Å; F139-F149 HydrophobicContact CB-CD2 4Å; F139-F149 HydrophobicContact CB-CE1 3.56Å; F139-F149 HydrophobicContact CB-CE2 3.64Å; F139-F149 HydrophobicContact CB-CG 4.17Å; F139-F149 HydrophobicContact CB-CZ 3.4Å; F139-F149 HydrophobicContact CD1-CD1 4.02Å; F139-F149 AromaticContact CD1-CE1 3.56Å; F139-F149 HydrophobicContact CD1-CE1 3.56Å; F139-F149 HydrophobicContact CD1-CZ 4.18Å; F139-F149 HydrophobicContact CG-CD1 4.48Å; F139-F149 AromaticContact CG-CE1 3.89Å; F139-F149 HydrophobicContact CG-CE1 3.89Å; F139-F149 HydrophobicContact CG-CZ 4.04Å; F139-F149 PolarHBondContact N-O 2.83Å; F139-F149 PolarHBondContact O-N 3.18Å; F139-F149 VanDerWaalsContact O-O 3.12Å; L147-F149 WeakPolarHBondContact O-CD1 3.42Å; L147-F149 PolarHBondContact O-N 3.21Å; F149-D153 HydrophobicContact CB-CB 4.44Å; F149-L155 HydrophobicContact CB-CD1 3.86Å; F149-L155 HydrophobicContact CB-CD2 4.02Å; F149-L155 HydrophobicContact CB-CG 4.49Å; F149-L155 HydrophobicContact CD1-CD1 3.58Å; F149-L155 HydrophobicContact CD2-CD1 4.27Å; F149-L155 HydrophobicContact CE1-CD1 4.18Å; F149-L155 HydrophobicContact CG-CD1 3.65Å; F149-I178 HydrophobicContact CD1-CB 4.38Å; F149-I178 HydrophobicContact CD1-CG2 3.68Å; F149-I178 HydrophobicContact CE1-CB 3.69Å; F149-I178 HydrophobicContact CE1-CG2 3.48Å; F149-I178 VanDerWaalsContact CE1-CG2 3.48Å; F149-I178 HydrophobicContact CZ-CB 4.46Å; F149-P179 HydrophobicContact CZ-CG 4.46Å; F149-Y182 HydrophobicContact CE2-CD1 4.48Å; F149-Y182 HydrophobicContact CZ-CD1 4.39Å; F149-Y182 HydrophobicContact CZ-CG 4.42Å; F149-V183 HydrophobicContact CE1-CG1 4.47Å; F149-V183 HydrophobicContact CE2-CG1 4.11Å; F149-V183 HydrophobicContact CZ-CG1 3.91Å
150K72.2Confident67.7Low151 Ų15171.6 Ų71.666%0.65738%0.383SS*.  trans-111.3155.7177.5-64.3-178.2-177.2-174.20110.5A135 G152 D153A135-K150 WeakPolarHBondContact CB-O 3.3Å; K150-G152 PolarHBondContact O-N 2.85Å; K150-D153 PolarHBondContact N-OD2 2.82Å; K150-D153 VanDerWaalsContact O-CB 3.26Å; K150-D153 WeakPolarHBondContact O-CB 3.33Å; K150-D153 PolarHBondContact O-N 2.79Å
151V71Confident67.2Low95 Ų9570 Ų7058%0.57637%0.373SS*.THydrogen-bonded Turntrans-53.3130.717367.20000110V136 F137V136-V151 WeakPolarHBondContact O-CG2 3.1Å; F137-V151 PolarHBondContact O-N 2.77Å
152G69Low66.8Low25 Ų2574.2 Ų74.226%0.25839%0.386SS..THydrogen-bonded Turntrans96.3-17.2-176.800000114.9R134 A135 K150R134-G152 PolarHBondContact NE-O 2.77Å; A135-G152 PolarHBondContact O-N 3.32Å; K150-G152 PolarHBondContact O-N 2.85Å
153D75.2Confident67.1Low50 Ų5075.1 Ų75.127%0.26739%0.391SS..  trans-65.5137.2-179.7-74.7-15.7000111.1R134 A135 F149 K150 L155R134-D153 CarbonylContact C-O 3.55Å; R134-D153 VanDerWaalsContact CA-O 3.32Å; R134-D153 WeakPolarHBondContact CA-O 3.39Å; A135-D153 HydrophobicContact CB-CB 4.27Å; A135-D153 PolarHBondContact N-O 2.83Å; F149-D153 HydrophobicContact CB-CB 4.44Å; K150-D153 PolarHBondContact N-OD2 2.82Å; K150-D153 VanDerWaalsContact O-CB 3.26Å; K150-D153 WeakPolarHBondContact O-CB 3.33Å; K150-D153 PolarHBondContact O-N 2.79Å; D153-L155 HydrophobicContact CB-CD2 4.26Å
154V82.2Confident67.2Low36 Ų3676.1 Ų76.122%0.21839%0.392CS..EExtended strand (participates in β ladder)trans-97.5115.7175.7-178.20000108.7F132 V133 R134 Q171 Y186F132-V154 HydrophobicContact CB-CG1 4Å; F132-V154 HydrophobicContact CD1-CG1 4.02Å; F132-V154 HydrophobicContact CG-CG1 4.4Å; V133-V154 CarbonylContact O-C 3.51Å; V133-V154 WeakPolarHBondContact O-CA 3.4Å; R134-V154 HydrophobicContact CG-CG2 4.47Å; V154-Q171 WeakPolarHBondContact O-CG 3.44Å; V154-Y186 HydrophobicContact CG1-CD1 3.88Å; V154-Y186 HydrophobicContact CG1-CE1 4.37Å; V154-Y186 HydrophobicContact CG2-CD1 4.11Å; V154-Y186 HydrophobicContact CG2-CE1 4.13Å
155L82Confident68.1Low0 Ų072 Ų720%036%0.363CS..EExtended strand (participates in β ladder)trans-107.6139.1-178.1-47.4173.4000108.6F132 V133 L147 F149 D153 A168 A169 I178 V183F132-L155 CarbonylContact C-O 3.56Å; F132-L155 WeakPolarHBondContact CA-O 2.95Å; V133-L155 HydrophobicContact CG2-CB 3.9Å; V133-L155 PolarHBondContact N-O 3.31Å; V133-L155 PolarHBondContact O-N 3.13Å; L147-L155 HydrophobicContact CD2-CD1 4.48Å; L147-L155 HydrophobicContact CD2-CD2 4.1Å; F149-L155 HydrophobicContact CB-CD1 3.86Å; F149-L155 HydrophobicContact CB-CD2 4.02Å; F149-L155 HydrophobicContact CB-CG 4.49Å; F149-L155 HydrophobicContact CD1-CD1 3.58Å; F149-L155 HydrophobicContact CD2-CD1 4.27Å; F149-L155 HydrophobicContact CE1-CD1 4.18Å; F149-L155 HydrophobicContact CG-CD1 3.65Å; D153-L155 HydrophobicContact CB-CD2 4.26Å; L155-A168 HydrophobicContact CB-CB 4.09Å; L155-A169 CarbonylContact C-O 3.58Å; L155-A169 WeakPolarHBondContact CA-O 3.46Å; L155-I178 HydrophobicContact CD1-CD1 4.05Å; L155-I178 HydrophobicContact CD1-CG2 4.01Å; L155-V183 HydrophobicContact CD1-CG1 4.13Å
156R80.3Confident69.1Low111 Ų11166.4 Ų66.442%0.41934%0.336SS..EExtended strand (participates in β ladder)trans-93.4114.2177.1-175176.867.1-175.9-0.4108.9F132 L158 A168 A169F132-R156 HydrophobicContact CD1-CB 3.91Å; F132-R156 HydrophobicContact CD1-CG 4.15Å; F132-R156 HydrophobicContact CE1-CB 3.77Å; F132-R156 HydrophobicContact CE1-CG 3.77Å; F132-R156 HydrophobicContact CZ-CG 4.15Å; R156-L158 PolarHBondContact O-N 3.08Å; R156-A168 CarbonylContact O-C 3.52Å; R156-A168 VanDerWaalsContact O-CA 3.24Å; R156-A168 WeakPolarHBondContact O-CA 3.22Å; R156-A169 HydrophobicContact CB-CB 4.5Å; R156-A169 PolarHBondContact N-O 2.94Å; R156-A169 PolarHBondContact O-N 3.1Å
157V80.8Confident69.2Low15 Ų1567.2 Ų67.29%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-67.3124.4175.6-176.40000108.4E131 V133 K160 W166E131-V157 HydrophobicContact CB-CB 4.41Å; E131-V157 VanDerWaalsContact O-CB 3.24Å; E131-V157 WeakPolarHBondContact O-CB 3.44Å; E131-V157 WeakPolarHBondContact O-CG2 3.28Å; E131-V157 PolarHBondContact O-N 3.11Å; V133-V157 HydrophobicContact CB-CG2 4.23Å; V133-V157 HydrophobicContact CG1-CG2 3.46Å; V133-V157 VanDerWaalsContact CG1-CG2 3.46Å; V133-V157 HydrophobicContact CG2-CG2 3.8Å; V157-K160 HydrophobicContact CG1-CG 3.82Å; V157-W166 HydrophobicContact CG1-CB 4.28Å; V157-W166 HydrophobicContact CG1-CE3 4.43Å; V157-W166 HydrophobicContact CG2-CE3 3.92Å
158L71.6Confident69.5Low76 Ų7667.1 Ų67.140%0.39834%0.342SS..EExtended strand (participates in β ladder)trans-97.3-46.9178.1-64-179.7000110.6R156 S167 A169 I175R156-L158 PolarHBondContact O-N 3.08Å; L158-S167 PolarHBondContact N-O 2.76Å; L158-A169 HydrophobicContact CD1-CB 4.04Å; L158-A169 HydrophobicContact CD2-CB 4.41Å; L158-A169 HydrophobicContact CG-CB 4.21Å; L158-I175 HydrophobicContact CD1-CB 4.38Å; L158-I175 HydrophobicContact CD1-CD1 3.79Å; L158-I175 HydrophobicContact CD1-CG1 3.86Å; L158-I175 HydrophobicContact CD1-CG2 3.64Å
159D66.8Low69.8Low82 Ų8264.8 Ų64.844%0.43933%0.328SS..EExtended strand (participates in β ladder)trans-145.5151.8-179.4-158-90000112.1P161 S167D159-P161 VanDerWaalsContact C-CD 3.42Å; D159-P161 WeakPolarHBondContact O-CD 2.95Å; D159-P161 VanDerWaalsContact OD1-CD 3.29Å; D159-P161 WeakPolarHBondContact OD1-CD 3.3Å; D159-S167 PolarHBondContact N-O 3.14Å; D159-S167 PolarHBondContact O-N 2.78Å
160K65.4Low69.8Low93 Ų9365.8 Ų65.840%0.40434%0.335SS..  trans-124.969-179.1-63.2179.4-177.9166.80109.3E131 V157 E162 W166E131-K160 WeakPolarHBondContact OE1-CE 3.29Å; E131-K160 IonicContact OE1-NZ 3.14Å; E131-K160 PolarHBondContact OE1-NZ 2.75Å; E131-K160 IonicContact OE2-NZ 2.75Å; E131-K160 PolarHBondContact OE2-NZ 3.11Å; V157-K160 HydrophobicContact CG1-CG 3.82Å; K160-E162 PolarHBondContact O-N 3.06Å; K160-W166 HydrophobicContact CB-CG 4.49Å; K160-W166 HydrophobicContact CD-CD2 4.47Å; K160-W166 HydrophobicContact CD-CZ2 4.41Å; K160-W166 HydrophobicContact CG-CD2 4.09Å; K160-W166 HydrophobicContact CG-CG 3.97Å
161P47.2Very low69.6Low75 Ų7565.9 Ų65.949%0.48734%0.338SS..SBendtrans-67.8-23.2-177.728.3-33.7000111.4D159D159-P161 VanDerWaalsContact C-CD 3.42Å; D159-P161 WeakPolarHBondContact O-CD 2.95Å; D159-P161 VanDerWaalsContact OD1-CD 3.29Å; D159-P161 WeakPolarHBondContact OD1-CD 3.3Å
162E46.4Very low69.1Low114 Ų11466.9 Ų66.953%0.53334%0.34SS..SBendtrans-145157.8-175.6-58.5-172.964.800113K160 Q164 W166K160-E162 PolarHBondContact O-N 3.06Å; E162-Q164 PolarHBondContact O-N 2.82Å; E162-W166 PolarHBondContact O-NE1 3.23Å; E162-W166 VanDerWaalsContact O-NE1 3.1Å
163D54.5Low68.8Low155 Ų15568.4 Ų68.483%0.82936%0.356SS*.SBendtrans-70.5-13.2176.5-76.7-79.1000114
164Q52.4Low68.1Low123 Ų12373.2 Ų73.258%0.57537%0.37SS*.SBendtrans-114.1-23.6-172.9-61.3-169.62400114.3E162 V180E162-Q164 PolarHBondContact O-N 2.82Å; Q164-V180 VanDerWaalsContact C-CG2 3.41Å; Q164-V180 WeakPolarHBondContact O-CG2 3.24Å; Q164-V180 PolarHBondContact O-N 3.08Å
165W66.7Low67.7Low90 Ų9076.8 Ų76.834%0.34139%0.387SS..EExtended strand (participates in β ladder)trans-136.4126.1178.5-72.878.1000110.4F139 D146 M177 I178F139-W165 HydrophobicContact CZ-CH2 4.06Å; F139-W165 HydrophobicContact CZ-CZ3 4.12Å; D146-W165 VanDerWaalsContact OD1-CZ3 3.27Å; D146-W165 WeakPolarHBondContact OD1-CZ3 3.38Å; W165-M177 HydrophobicContact CE3-CB 3.7Å; W165-M177 HydrophobicContact CZ3-CB 4.09Å; W165-I178 WeakPolarHBondContact CA-O 3.4Å
166W74Confident67.2Low29 Ų2977.1 Ų77.111%0.1139%0.391CS..EExtended strand (participates in β ladder)trans-111.7146.5178.1-66.9-13.2000110.3V133 V157 K160 E162 M177 I178 V180 V183V133-W166 HydrophobicContact CG1-CE3 4.1Å; V133-W166 HydrophobicContact CG1-CZ3 3.75Å; V157-W166 HydrophobicContact CG1-CB 4.28Å; V157-W166 HydrophobicContact CG1-CE3 4.43Å; V157-W166 HydrophobicContact CG2-CE3 3.92Å; K160-W166 HydrophobicContact CB-CG 4.49Å; K160-W166 HydrophobicContact CD-CD2 4.47Å; K160-W166 HydrophobicContact CD-CZ2 4.41Å; K160-W166 HydrophobicContact CG-CD2 4.09Å; K160-W166 HydrophobicContact CG-CG 3.97Å; E162-W166 PolarHBondContact O-NE1 3.23Å; E162-W166 VanDerWaalsContact O-NE1 3.1Å; W166-M177 CarbonylContact O-C 3.6Å; W166-M177 WeakPolarHBondContact O-CA 3.45Å; W166-I178 HydrophobicContact CB-CG1 4.08Å; W166-I178 PolarHBondContact N-O 2.92Å; W166-I178 WeakPolarHBondContact O-CG1 3.41Å; W166-I178 PolarHBondContact O-N 2.88Å; W166-V180 HydrophobicContact CB-CG2 4.38Å; W166-V180 VanDerWaalsContact CD1-CG2 3.42Å; W166-V180 HydrophobicContact CD2-CB 4.49Å; W166-V180 HydrophobicContact CD2-CG1 4.45Å; W166-V180 HydrophobicContact CD2-CG2 3.45Å; W166-V180 VanDerWaalsContact CD2-CG2 3.45Å; W166-V180 HydrophobicContact CE3-CG2 4.13Å; W166-V180 HydrophobicContact CG-CG2 3.53Å; W166-V180 HydrophobicContact CH2-CG1 3.77Å; W166-V180 HydrophobicContact CH2-CG2 4.47Å; W166-V180 HydrophobicContact CZ2-CB 4.42Å; W166-V180 HydrophobicContact CZ2-CG1 3.62Å; W166-V180 HydrophobicContact CZ2-CG2 3.86Å; W166-V180 HydrophobicContact CZ3-CG1 4.24Å; W166-V180 VanDerWaalsContact NE1-CG2 3.27Å; W166-V183 HydrophobicContact CE3-CG2 4.39Å; W166-V183 HydrophobicContact CZ3-CG2 4.44Å
167S72.2Confident66.9Low30 Ų3075.5 Ų75.521%0.2139%0.389CS..EExtended strand (participates in β ladder)trans-82123.3167.5-179.70000108.3L158 D159L158-S167 PolarHBondContact N-O 2.76Å; D159-S167 PolarHBondContact N-O 3.14Å; D159-S167 PolarHBondContact O-N 2.78Å
168A80.3Confident66.6Low0 Ų074.8 Ų74.80%038%0.384CS..EExtended strand (participates in β ladder)trans-134159.3178.700000112L147 L155 R156 I175 G176 I178L147-A168 HydrophobicContact CD2-CB 4.42Å; L147-A168 WeakPolarHBondContact CD2-O 3.21Å; L155-A168 HydrophobicContact CB-CB 4.09Å; R156-A168 CarbonylContact O-C 3.52Å; R156-A168 VanDerWaalsContact O-CA 3.24Å; R156-A168 WeakPolarHBondContact O-CA 3.22Å; A168-I175 WeakPolarHBondContact O-CA 3.35Å; A168-G176 PolarHBondContact N-O 2.97Å; A168-G176 PolarHBondContact O-N 2.88Å; A168-G176 VanDerWaalsContact O-N 3.08Å; A168-I178 HydrophobicContact CB-CD1 3.35Å; A168-I178 HydrophobicContact CB-CG1 3.65Å; A168-I178 HydrophobicContact CB-CG2 4.06Å
169A78.8Confident66.5Low6 Ų671.6 Ų71.65%0.0537%0.368CS..EExtended strand (participates in β ladder)trans-110.113317300000110.5L155 R156 L158 R174 I175L155-A169 CarbonylContact C-O 3.58Å; L155-A169 WeakPolarHBondContact CA-O 3.46Å; R156-A169 HydrophobicContact CB-CB 4.5Å; R156-A169 PolarHBondContact N-O 2.94Å; R156-A169 PolarHBondContact O-N 3.1Å; L158-A169 HydrophobicContact CD1-CB 4.04Å; L158-A169 HydrophobicContact CD2-CB 4.41Å; L158-A169 HydrophobicContact CG-CB 4.21Å; A169-R174 CarbonylContact C-O 3.47Å; A169-R174 VanDerWaalsContact CA-O 3.27Å; A169-R174 WeakPolarHBondContact CA-O 3.41Å; A169-I175 HydrophobicContact CB-CG1 4Å
170S77.9Confident66.7Low26 Ų2669 Ų6918%0.18236%0.355CS..  trans-75.8164170.2-1770000111.2D172 G173 R174S170-D172 PolarHBondContact O-N 3.14Å; S170-G173 PolarHBondContact O-N 2.71Å; S170-R174 PolarHBondContact N-O 2.71Å
171Q67.8Low66.9Low153 Ų15366.9 Ų66.972%0.71535%0.351SS*.THydrogen-bonded Turntrans-60.1-24172.9-61-174.9-94.600112.6V154 G173V154-Q171 WeakPolarHBondContact O-CG 3.44Å; Q171-G173 PolarHBondContact O-N 2.95Å
172D59.3Low67.7Low115 Ų11565.7 Ų65.762%0.61534%0.337SS*.THydrogen-bonded Turntrans-76.7-3.6175.5-161.5-123.9000113.1S170 R174S170-D172 PolarHBondContact O-N 3.14Å; D172-R174 VanDerWaalsContact C-N 3.31Å; D172-R174 PolarHBondContact O-N 2.98Å; D172-R174 IonicContact OD1-CZ 3.65Å; D172-R174 IonicContact OD1-NE 2.82Å; D172-R174 PolarHBondContact OD1-NE 2.76Å; D172-R174 IonicContact OD1-NH2 2.97Å
173G62.6Low69Low57 Ų5760.8 Ų60.859%0.58832%0.315SS*.SBendtrans83.21.2-178.400000114.7S170 Q171S170-G173 PolarHBondContact O-N 2.71Å; Q171-G173 PolarHBondContact O-N 2.95Å
174R61.6Low69.8Low151 Ų15158.8 Ų58.857%0.5730%0.301SS*.  trans-72138.8171.5-61.7-176.5-161.6-166-2.9110.5L147 A169 S170 D172L147-R174 HydrophobicContact CD1-CB 3.59Å; L147-R174 VanDerWaalsContact CD1-O 3.31Å; L147-R174 WeakPolarHBondContact CD1-O 2.96Å; A169-R174 CarbonylContact C-O 3.47Å; A169-R174 VanDerWaalsContact CA-O 3.27Å; A169-R174 WeakPolarHBondContact CA-O 3.41Å; S170-R174 PolarHBondContact N-O 2.71Å; D172-R174 VanDerWaalsContact C-N 3.31Å; D172-R174 PolarHBondContact O-N 2.98Å; D172-R174 IonicContact OD1-CZ 3.65Å; D172-R174 IonicContact OD1-NE 2.82Å; D172-R174 PolarHBondContact OD1-NE 2.76Å; D172-R174 IonicContact OD1-NH2 2.97Å
175I73.3Confident71Confident111 Ų11158.6 Ų58.657%0.56930%0.298SS*.EExtended strand (participates in β ladder)trans-118.7138.1179.8-59.9170.3000107.5L158 A168 A169L158-I175 HydrophobicContact CD1-CB 4.38Å; L158-I175 HydrophobicContact CD1-CD1 3.79Å; L158-I175 HydrophobicContact CD1-CG1 3.86Å; L158-I175 HydrophobicContact CD1-CG2 3.64Å; A168-I175 WeakPolarHBondContact O-CA 3.35Å; A169-I175 HydrophobicContact CB-CG1 4Å
176G72.2Confident71.3Confident8 Ų858.8 Ų58.88%0.08230%0.299CS..EExtended strand (participates in β ladder)trans-175.3180175.500000110.9E145 A168E145-G176 CarbonylContact O-C 3.51Å; E145-G176 VanDerWaalsContact O-CA 3.25Å; E145-G176 WeakPolarHBondContact O-CA 3.06Å; A168-G176 PolarHBondContact N-O 2.97Å; A168-G176 PolarHBondContact O-N 2.88Å; A168-G176 VanDerWaalsContact O-N 3.08Å
177M72.8Confident71Confident77 Ų7766.4 Ų66.438%0.37933%0.328SS..EExtended strand (participates in β ladder)trans-79.3140.4-179.6-55.9-169.9-69.500110.9E145 L147 W165 W166E145-M177 HydrophobicContact CB-CE 4.07Å; E145-M177 PolarHBondContact O-N 3.3Å; L147-M177 PolarHBondContact N-O 3.27Å; W165-M177 HydrophobicContact CE3-CB 3.7Å; W165-M177 HydrophobicContact CZ3-CB 4.09Å; W166-M177 CarbonylContact O-C 3.6Å; W166-M177 WeakPolarHBondContact O-CA 3.45Å
178I73.9Confident70.2Confident0 Ų068.1 Ų68.10%034%0.338CS..EExtended strand (participates in β ladder)trans-126.5136.4176.360.2162.1000109.8V133 L147 F149 L155 W165 W166 A168 V180 V183V133-I178 HydrophobicContact CG2-CD1 3.71Å; L147-I178 HydrophobicContact CB-CG2 3.78Å; L147-I178 HydrophobicContact CD2-CG2 3.88Å; L147-I178 HydrophobicContact CG-CG2 4.34Å; F149-I178 HydrophobicContact CD1-CB 4.38Å; F149-I178 HydrophobicContact CD1-CG2 3.68Å; F149-I178 HydrophobicContact CE1-CB 3.69Å; F149-I178 HydrophobicContact CE1-CG2 3.48Å; F149-I178 VanDerWaalsContact CE1-CG2 3.48Å; F149-I178 HydrophobicContact CZ-CB 4.46Å; L155-I178 HydrophobicContact CD1-CD1 4.05Å; L155-I178 HydrophobicContact CD1-CG2 4.01Å; W165-I178 WeakPolarHBondContact CA-O 3.4Å; W166-I178 HydrophobicContact CB-CG1 4.08Å; W166-I178 PolarHBondContact N-O 2.92Å; W166-I178 WeakPolarHBondContact O-CG1 3.41Å; W166-I178 PolarHBondContact O-N 2.88Å; A168-I178 HydrophobicContact CB-CD1 3.35Å; A168-I178 HydrophobicContact CB-CG1 3.65Å; A168-I178 HydrophobicContact CB-CG2 4.06Å; I178-V180 PolarHBondContact O-N 2.89Å; I178-V183 HydrophobicContact CD1-CB 4.37Å; I178-V183 HydrophobicContact CD1-CG1 3.83Å; I178-V183 HydrophobicContact CD1-CG2 3.89Å
179P70Confident68.5Low9 Ų973.2 Ų73.26%0.05837%0.374CS..EExtended strand (participates in β ladder)trans-69.7124.8172.517.2-18.9000109.8F139 F149 P181 Y182F139-P179 HydrophobicContact CD2-CG 4.21Å; F139-P179 HydrophobicContact CE2-CG 4.26Å; F139-P179 HydrophobicContact CG-CG 4.45Å; F149-P179 HydrophobicContact CZ-CG 4.46Å; P179-P181 VanDerWaalsContact C-N 3.31Å; P179-P181 HydrophobicContact CB-CG 4.26Å; P179-Y182 HydrophobicContact CB-CD2 3.93Å; P179-Y182 HydrophobicContact CB-CG 4.26Å; P179-Y182 HydrophobicContact CG-CD1 4.25Å; P179-Y182 HydrophobicContact CG-CD2 3.82Å; P179-Y182 HydrophobicContact CG-CE2 4.45Å; P179-Y182 HydrophobicContact CG-CG 3.72Å; P179-Y182 WeakPolarHBondContact O-CB 3.25Å; P179-Y182 PolarHBondContact O-N 2.99Å
180V72.1Confident66.5Low26 Ų2678.2 Ų78.216%0.15841%0.409CS..G310 helixtrans-50.9-42.5173.4-178.60000113.1Q164 W166 I178 Y182 V183Q164-V180 VanDerWaalsContact C-CG2 3.41Å; Q164-V180 WeakPolarHBondContact O-CG2 3.24Å; Q164-V180 PolarHBondContact O-N 3.08Å; W166-V180 HydrophobicContact CB-CG2 4.38Å; W166-V180 VanDerWaalsContact CD1-CG2 3.42Å; W166-V180 HydrophobicContact CD2-CB 4.49Å; W166-V180 HydrophobicContact CD2-CG1 4.45Å; W166-V180 HydrophobicContact CD2-CG2 3.45Å; W166-V180 VanDerWaalsContact CD2-CG2 3.45Å; W166-V180 HydrophobicContact CE3-CG2 4.13Å; W166-V180 HydrophobicContact CG-CG2 3.53Å; W166-V180 HydrophobicContact CH2-CG1 3.77Å; W166-V180 HydrophobicContact CH2-CG2 4.47Å; W166-V180 HydrophobicContact CZ2-CB 4.42Å; W166-V180 HydrophobicContact CZ2-CG1 3.62Å; W166-V180 HydrophobicContact CZ2-CG2 3.86Å; W166-V180 HydrophobicContact CZ3-CG1 4.24Å; W166-V180 VanDerWaalsContact NE1-CG2 3.27Å; I178-V180 PolarHBondContact O-N 2.89Å; V180-Y182 PolarHBondContact O-N 2.76Å; V180-V183 WeakPolarHBondContact O-CG2 3.48Å; V180-V183 PolarHBondContact O-N 2.97Å
181P68.9Low64.9Low49 Ų4983.8 Ų83.832%0.31844%0.444SS..G310 helixtrans-66.1-11.6178.922.6-31.8000114P179 F278P179-P181 VanDerWaalsContact C-N 3.31Å; P179-P181 HydrophobicContact CB-CG 4.26Å; P181-F278 HydrophobicContact CB-CZ 4.42Å
182Y63.5Low63.5Low50 Ų5080.2 Ų80.220%0.19645%0.448CS..G310 helixtrans-94.4-3.6-177.5-78.3-130000113.2V136 F137 F139 F149 P179 V180 L220V136-Y182 VanDerWaalsContact CG2-O 3.3Å; V136-Y182 WeakPolarHBondContact CG2-O 3.06Å; V136-Y182 PolarHBondContact N-O 2.97Å; F137-Y182 HydrophobicContact CB-CD1 3.46Å; F137-Y182 VanDerWaalsContact CB-CD1 3.46Å; F137-Y182 HydrophobicContact CB-CE1 3.94Å; F137-Y182 HydrophobicContact CB-CG 4Å; F137-Y182 HydrophobicContact CD2-CG 4.37Å; F137-Y182 HydrophobicContact CG-CD1 4.32Å; F137-Y182 PolarHBondContact N-O 3.42Å; F139-Y182 HydrophobicContact CB-CD1 4.23Å; F149-Y182 HydrophobicContact CE2-CD1 4.48Å; F149-Y182 HydrophobicContact CZ-CD1 4.39Å; F149-Y182 HydrophobicContact CZ-CG 4.42Å; P179-Y182 HydrophobicContact CB-CD2 3.93Å; P179-Y182 HydrophobicContact CB-CG 4.26Å; P179-Y182 HydrophobicContact CG-CD1 4.25Å; P179-Y182 HydrophobicContact CG-CD2 3.82Å; P179-Y182 HydrophobicContact CG-CE2 4.45Å; P179-Y182 HydrophobicContact CG-CG 3.72Å; P179-Y182 WeakPolarHBondContact O-CB 3.25Å; P179-Y182 PolarHBondContact O-N 2.99Å; V180-Y182 PolarHBondContact O-N 2.76Å; Y182-L220 HydrophobicContact CE2-CD1 4.22Å
183V73.9Confident62.1Low12 Ų1278.8 Ų78.87%0.07346%0.46CS..EExtended strand (participates in β ladder)trans-136.5142.6-171.8-56.60000110.5V133 R134 F149 L155 W166 I178 V180V133-V183 HydrophobicContact CB-CB 3.83Å; V133-V183 HydrophobicContact CB-CG2 3.92Å; V133-V183 HydrophobicContact CG1-CG2 4.22Å; V133-V183 HydrophobicContact CG2-CB 3.75Å; V133-V183 HydrophobicContact CG2-CG1 4.18Å; V133-V183 HydrophobicContact CG2-CG2 3.82Å; R134-V183 CarbonylContact O-C 3.49Å; R134-V183 WeakPolarHBondContact O-CA 3.43Å; F149-V183 HydrophobicContact CE1-CG1 4.47Å; F149-V183 HydrophobicContact CE2-CG1 4.11Å; F149-V183 HydrophobicContact CZ-CG1 3.91Å; L155-V183 HydrophobicContact CD1-CG1 4.13Å; W166-V183 HydrophobicContact CE3-CG2 4.39Å; W166-V183 HydrophobicContact CZ3-CG2 4.44Å; I178-V183 HydrophobicContact CD1-CB 4.37Å; I178-V183 HydrophobicContact CD1-CG1 3.83Å; I178-V183 HydrophobicContact CD1-CG2 3.89Å; V180-V183 WeakPolarHBondContact O-CG2 3.48Å; V180-V183 PolarHBondContact O-N 2.97Å
184E72.3Confident60.6Low112 Ų11280 Ų8052%0.52347%0.473SS..EExtended strand (participates in β ladder)trans-113.7143.5178.2-174.2177.189.200109.9V133 R134 V136 Y186V133-E184 CarbonylContact C-O 3.55Å; V133-E184 WeakPolarHBondContact CA-O 3.28Å; V133-E184 WeakPolarHBondContact CB-O 3.32Å; R134-E184 PolarHBondContact N-O 2.88Å; R134-E184 PolarHBondContact O-N 3.45Å; V136-E184 HydrophobicContact CG1-CB 3.92Å; E184-Y186 PolarHBondContact O-N 2.78Å
185K77.3Confident59.4Low119 Ų11977 Ų7752%0.51749%0.489SS..EExtended strand (participates in β ladder)trans-58.4116.6176.7-68.6-170.6179.3-159.10110.6E131E131-K185 WeakPolarHBondContact OE1-CE 3.13Å; E131-K185 IonicContact OE1-NZ 3.03Å; E131-K185 VanDerWaalsContact OE2-CE 3.3Å; E131-K185 WeakPolarHBondContact OE2-CE 3.38Å; E131-K185 IonicContact OE2-NZ 3.62Å; E131-K185 PolarHBondContact OE2-NZ 2.61Å
186Y73.6Confident57.2Low94 Ų9475.5 Ų75.537%0.36950%0.501SS..EExtended strand (participates in β ladder)trans-111.5114.1178-174.5-106.2000108.5F132 R134 V154 E184 P188F132-Y186 CarbonylContact C-O 3.39Å; F132-Y186 HydrophobicContact CB-CD1 4.44Å; F132-Y186 VanDerWaalsContact CB-O 3.27Å; F132-Y186 WeakPolarHBondContact CB-O 3.34Å; F132-Y186 CarbonylContact O-C 3.58Å; F132-Y186 PolarHBondContact O-N 2.77Å; R134-Y186 HydrophobicContact CB-CD2 4.28Å; R134-Y186 HydrophobicContact CB-CG 4.16Å; V154-Y186 HydrophobicContact CG1-CD1 3.88Å; V154-Y186 HydrophobicContact CG1-CE1 4.37Å; V154-Y186 HydrophobicContact CG2-CD1 4.11Å; V154-Y186 HydrophobicContact CG2-CE1 4.13Å; E184-Y186 PolarHBondContact O-N 2.78Å; Y186-P188 HydrophobicContact CD1-CB 4.45Å; Y186-P188 HydrophobicContact CE1-CB 3.91Å; Y186-P188 WeakPolarHBondContact O-CD 3.33Å
187R66.2Low55.3Low190 Ų19079.8 Ų79.872%0.71754%0.536SS*.  trans-92.9111.2165.2-76.3-170.9172.9129.9-7107.1E129 S189E129-R187 IonicContact OE1-NH2 3.7Å; E129-R187 PolarHBondContact OE1-NH2 2.82Å; E129-R187 VanDerWaalsContact OE1-NH2 3.09Å; R187-S189 PolarHBondContact O-N 2.64Å
188P55.2Low54Low66 Ų6681.6 Ų81.643%0.42955%0.553SS.*  trans-64.1104.217124.8-30.1000107.3F132 Y186 S190F132-P188 HydrophobicContact CD2-CG 3.86Å; F132-P188 HydrophobicContact CE2-CG 4.21Å; F132-P188 HydrophobicContact CG-CG 4.38Å; Y186-P188 HydrophobicContact CD1-CB 4.45Å; Y186-P188 HydrophobicContact CE1-CB 3.91Å; Y186-P188 WeakPolarHBondContact O-CD 3.33Å; P188-S190 PolarHBondContact O-N 3.06Å; P188-S190 VanDerWaalsContact O-N 3.08Å
189S44.6Very low52.2Low107 Ų10791 Ų9175%0.74860%0.597SS**  trans-56.2115.6171.4-47.70000107.7R187R187-S189 PolarHBondContact O-N 2.64Å
190S37.9Very low50.1Low111 Ų11194 Ų9478%0.77663%0.63SS**  trans-48125.4169.1-52.40000108.8P188 G192P188-S190 PolarHBondContact O-N 3.06Å; P188-S190 VanDerWaalsContact O-N 3.08Å; S190-G192 PolarHBondContact O-N 3.29Å
191P43.8Very low48.3Very low143 Ų143100.3 Ų100.393%0.92966%0.663SS**SBendtrans-72.1103.2-178.626.7-30.6000109.1
192G38.3Very low46.9Very low77 Ų77103.3 Ų103.379%0.79468%0.682SS**  trans-177.889.8174.100000113.6S190S190-G192 PolarHBondContact O-N 3.29Å
193G30.8Very low45.5Very low85 Ų85109.9 Ų109.988%0.87672%0.715SS**  trans119.3106.2159.800000114.3
194G31.5Very low43.1Very low83 Ų83113.3 Ų113.386%0.85675%0.752SS**  trans-87.1169.1-174.700000115.7
195G34.7Very low41.3Very low88 Ų88115.2 Ų115.291%0.90777%0.766SS**  trans97.4113.9146.200000116.8
196G28.2Very low39.6Very low80 Ų80114.8 Ų114.883%0.82578%0.775SS**  trans121.6101145.400000116.5
197A32.1Very low37.3Very low97 Ų97113.5 Ų113.580%0.80279%0.791SS**  trans-73.7160.2135.500000107.9
198P45Very low35.8Very low115 Ų115111 Ų11175%0.74779%0.791SS**  cis-144.5171.225.640.3-19.2000117.6
199Q36.8Very low34.6Very low198 Ų198118.1 Ų118.193%0.92581%0.811SS**  trans64.2119.3141.8-157.9165.117.200122
200G25.9Very low33.9Very low72 Ų72117.5 Ų117.574%0.74281%0.812SS**  trans171.991157.700000114.6
201N33.9Very low33.6Very low159 Ų159121 Ų12185%0.8582%0.816SS**  trans-73.2146151.3-108.952.7000107.4
202P40.2Very low33.1Very low111 Ų111120 Ų12072%0.72181%0.81SS**  -149.3141.974.235-13.8000117.1
203Q33.2Very low32.6Very low189 Ų189124.1 Ų124.188%0.88381%0.809SS**  67.5101.8121.7-151.1167-16.900119.7
204G24.8Very low32.8Very low83 Ų83125.2 Ų125.286%0.85680%0.8SS**  trans-161.1113.2155.600000110
205D32.9Very low32.8Very low152 Ų152130.1 Ų130.181%0.81380%0.803SS**  trans-141.5158173.7-171.6-103.9000106
206P41.4Very low32.7Very low110 Ų110129.5 Ų129.571%0.71478%0.782SS**  cis-122.8156.5-1.210.413.9000113.9
207G26.8Very low33.1Very low68 Ų68132.5 Ų132.570%0.70178%0.779SS**  trans-167.6105.7162.700000110.7
208L33.1Very low33.4Very low137 Ų137130.1 Ų130.172%0.71776%0.759SS**  trans-38.7136.7169.5-59.277.6000109.3
209Y31.8Very low33Very low215 Ų215132.2 Ų132.284%0.84376%0.759SS**  cis-156.794.944.2-33.6-95.5000106.1
210A29.6Very low33.4Very low95 Ų95125.9 Ų125.979%0.78573%0.731SS**  trans-97111.8168.700000107.3P212A210-P212 WeakPolarHBondContact O-CD 3.46Å
211Q31.5Very low34.4Very low184 Ų184124.3 Ų124.386%0.8671%0.708SS**  trans-54.5124.7169.4-74.4-176.8-65.700108.5Q213Q211-Q213 PolarHBondContact O-N 2.81Å
212P31.7Very low35Very low121 Ų121122.2 Ų122.279%0.78670%0.696SS**  trans-65.8112.217024.5-28.8000107.5A210 P214A210-P212 WeakPolarHBondContact O-CD 3.46Å; P212-P214 WeakPolarHBondContact O-CD 3.34Å
213Q29.4Very low35.6Very low165 Ų165120.3 Ų120.377%0.77168%0.68SS**  trans-59.7123.4166.5-67.4-172.1-4200107.2Q211 M215Q211-Q213 PolarHBondContact O-N 2.81Å; Q213-M215 PolarHBondContact O-N 2.85Å
214P35.2Very low36.1Very low108 Ų108119.7 Ų119.770%0.70168%0.677SS**  trans-68108.7173.527.7-30.7000107.2P212 V216P212-P214 WeakPolarHBondContact O-CD 3.34Å; P214-V216 HydrophobicContact CB-CG1 4.26Å; P214-V216 PolarHBondContact O-N 2.84Å
215M30.6Very low37.1Very low185 Ų185123 Ų12391%0.91168%0.675SS**  trans-64.686165.925.8-176.8159.200107.5Q213 N217Q213-M215 PolarHBondContact O-N 2.85Å; M215-N217 PolarHBondContact O-N 3.28Å
216V32.5Very low38.1Very low76 Ų76117.2 Ų117.246%0.46165%0.651SS.*  trans-82.457.6175.6-67.60000110.3P214 A218P214-V216 HydrophobicContact CB-CG1 4.26Å; P214-V216 PolarHBondContact O-N 2.84Å; V216-A218 VanDerWaalsContact C-N 3.29Å; V216-A218 PolarHBondContact O-N 2.98Å
217N36.9Very low39.1Very low143 Ų143115 Ų11577%0.76564%0.637SS**  trans-87.976.6165.6-138.965.8000107.3M215M215-N217 PolarHBondContact O-N 3.28Å
218A37.5Very low41.4Very low47 Ų47112.5 Ų112.539%0.38861%0.608SS.*  trans-141.1102.1176.400000109.9V216 L220 L283V216-A218 VanDerWaalsContact C-N 3.29Å; V216-A218 PolarHBondContact O-N 2.98Å; A218-L220 PolarHBondContact O-N 3Å; A218-L283 HydrophobicContact CB-CD1 4.4Å
219Q38.1Very low43.7Very low159 Ų159108.9 Ų108.974%0.74359%0.585SS**PPolyproline II helixtrans-54.7121.2160.9-71.3157.24100107.7F137 P221 L283F137-Q219 HydrophobicContact CE1-CB 4.38Å; F137-Q219 HydrophobicContact CE1-CG 4.18Å; F137-Q219 HydrophobicContact CZ-CG 4.38Å; Q219-P221 VanDerWaalsContact O-CD 3.24Å; Q219-P221 WeakPolarHBondContact O-CD 3.46Å; Q219-L283 WeakPolarHBondContact O-CD1 3.19Å
220L44.7Very low46Very low65 Ų6598.6 Ų98.634%0.3455%0.545SS..PPolyproline II helixtrans-62.7117.8172.1-82.4129.2000108Y182 A218 N222 I259 W265Y182-L220 HydrophobicContact CE2-CD1 4.22Å; A218-L220 PolarHBondContact O-N 3Å; L220-N222 PolarHBondContact O-N 3.17Å; L220-I259 HydrophobicContact CD2-CG2 3.57Å; L220-W265 HydrophobicContact CD2-CZ2 3.59Å; L220-W265 HydrophobicContact CG-CZ2 4.42Å
221P47.2Very low48.5Very low39 Ų3998.6 Ų98.625%0.25352%0.524SS..PPolyproline II helixtrans-76.8129.2-17727.4-29.6000107.8Q219 L223 V228 I259 L283Q219-P221 VanDerWaalsContact O-CD 3.24Å; Q219-P221 WeakPolarHBondContact O-CD 3.46Å; P221-L223 PolarHBondContact O-N 2.8Å; P221-V228 HydrophobicContact CB-CG1 4.46Å; P221-V228 HydrophobicContact CB-CG2 4.03Å; P221-V228 HydrophobicContact CG-CB 4.47Å; P221-V228 HydrophobicContact CG-CG1 3.63Å; P221-V228 HydrophobicContact CG-CG2 3.95Å; P221-I259 HydrophobicContact CG-CD1 4.03Å; P221-I259 WeakPolarHBondContact O-CD1 3.46Å; P221-L283 HydrophobicContact CG-CD1 3.63Å; P221-L283 HydrophobicContact CG-CD2 3.66Å; P221-L283 HydrophobicContact CG-CG 4.23Å
222N45.9Very low50.8Low114 Ų11489.9 Ų89.961%0.6148%0.484SS*.PPolyproline II helixtrans-65.5118.8172-105.329000108.6L220 Q224 D225L220-N222 PolarHBondContact O-N 3.17Å; N222-Q224 PolarHBondContact O-N 2.9Å; N222-D225 PolarHBondContact O-N 2.78Å
223L52.3Low52.9Low71 Ų7187.5 Ų87.537%0.37247%0.467SS..THydrogen-bonded Turntrans-62.23.9172.6-75163.7000113.9P221 D225 V228 I259P221-L223 PolarHBondContact O-N 2.8Å; L223-D225 VanDerWaalsContact C-N 3.32Å; L223-V228 HydrophobicContact CD2-CB 4.07Å; L223-V228 HydrophobicContact CD2-CG2 3.72Å; L223-V228 HydrophobicContact CG-CG2 4.45Å; L223-I259 HydrophobicContact CD1-CB 3.95Å; L223-I259 HydrophobicContact CD1-CD1 4.13Å; L223-I259 HydrophobicContact CD1-CG1 3.85Å; L223-I259 HydrophobicContact CD2-CD1 4.38Å; L223-I259 HydrophobicContact CG-CD1 3.92Å; L223-I259 HydrophobicContact CG-CG1 4.2Å
224Q44.9Very low54.6Low176 Ų17684.2 Ų84.282%0.82245%0.451SS*.THydrogen-bonded Turntrans-77.9-15.2174.1-73.9175.98.100113N222N222-Q224 PolarHBondContact O-N 2.9Å
225D45Very low56.5Low154 Ų15484.6 Ų84.682%0.82444%0.442SS*.SBendtrans-100.5-0.6-174.3-141.1-111.7000114.3N222 L223N222-D225 PolarHBondContact O-N 2.78Å; L223-D225 VanDerWaalsContact C-N 3.32Å
226G53.7Low58.3Low29 Ų2978.5 Ų78.530%0.29941%0.409SS..SBendtrans133.7-176.4177.700000114.3V228G226-V228 PolarHBondContact O-N 2.79Å
227P61.7Low60.1Low64 Ų6480.2 Ų80.242%0.41642%0.42SS..  trans-65.2121.1177.426.2-31.8000110.7Y229P227-Y229 HydrophobicContact CB-CE2 3.98Å; P227-Y229 HydrophobicContact CG-CE2 4.09Å; P227-Y229 WeakPolarHBondContact O-CD2 3.38Å
228V75.6Confident61.2Low16 Ų1675.1 Ų75.110%0.09739%0.394CS..EExtended strand (participates in β ladder)trans-86.6131.3178173.50000109.1P221 L223 G226 V256 L283P221-V228 HydrophobicContact CB-CG1 4.46Å; P221-V228 HydrophobicContact CB-CG2 4.03Å; P221-V228 HydrophobicContact CG-CB 4.47Å; P221-V228 HydrophobicContact CG-CG1 3.63Å; P221-V228 HydrophobicContact CG-CG2 3.95Å; L223-V228 HydrophobicContact CD2-CB 4.07Å; L223-V228 HydrophobicContact CD2-CG2 3.72Å; L223-V228 HydrophobicContact CG-CG2 4.45Å; G226-V228 PolarHBondContact O-N 2.79Å; V228-V256 HydrophobicContact CB-CB 4.09Å; V228-V256 HydrophobicContact CG1-CB 4.01Å; V228-V256 HydrophobicContact CG1-CG2 4.04Å; V228-V256 PolarHBondContact O-N 2.93Å; V228-L283 HydrophobicContact CG1-CD2 3.39Å
229Y81.2Confident62.2Low60 Ų6078.8 Ų78.824%0.23541%0.407CS..EExtended strand (participates in β ladder)trans-111.8143.2174.9-65.6-93.2000109.9P227 T253 V254 K255 L284 R289P227-Y229 HydrophobicContact CB-CE2 3.98Å; P227-Y229 HydrophobicContact CG-CE2 4.09Å; P227-Y229 WeakPolarHBondContact O-CD2 3.38Å; Y229-T253 HydrophobicContact CD1-CG2 4.1Å; Y229-V254 CarbonylContact C-O 3.58Å; Y229-V254 WeakPolarHBondContact CA-O 3.33Å; Y229-K255 HydrophobicContact CD1-CB 4.19Å; Y229-K255 HydrophobicContact CD1-CG 4.39Å; Y229-K255 HydrophobicContact CE1-CB 4.04Å; Y229-K255 HydrophobicContact CE1-CD 4.29Å; Y229-K255 HydrophobicContact CE1-CG 3.98Å; Y229-L284 PolarHBondContact O-N 2.77Å; Y229-R289 HydrophobicContact CD2-CG 4.34Å
230A81.5Confident62.5Low0 Ų075.6 Ų75.60%041%0.408CS..EExtended strand (participates in β ladder)trans-135.8136.3177.900000110.2V254 V256 V281 R282 L283A230-V254 PolarHBondContact N-O 2.77Å; A230-V254 WeakPolarHBondContact O-CA 3.43Å; A230-V254 PolarHBondContact O-N 2.83Å; A230-V256 HydrophobicContact CB-CG2 3.7Å; A230-V281 HydrophobicContact CB-CB 3.83Å; A230-V281 HydrophobicContact CB-CG2 3.85Å; A230-R282 CarbonylContact C-O 3.44Å; A230-R282 VanDerWaalsContact CA-O 3.23Å; A230-R282 WeakPolarHBondContact CA-O 3.06Å; A230-L283 HydrophobicContact CB-CD2 4.24Å
231R80.7Confident62.8Low94 Ų9482.9 Ų82.936%0.35543%0.433SS..EExtended strand (participates in β ladder)trans-90.3125.5173-165.6162.871.2-148.60.8110.2V233 D252 V281 R282 L284 E288R231-V233 PolarHBondContact O-N 3.12Å; R231-D252 CarbonylContact C-O 3.49Å; R231-D252 WeakPolarHBondContact CA-O 3.31Å; R231-V281 CarbonylContact O-C 3.53Å; R231-V281 WeakPolarHBondContact O-CA 3.38Å; R231-R282 PolarHBondContact N-O 2.98Å; R231-R282 PolarHBondContact O-N 3.35Å; R231-L284 HydrophobicContact CB-CD1 4.02Å; R231-L284 HydrophobicContact CB-CD2 4.04Å; R231-L284 HydrophobicContact CB-CG 4.05Å; R231-E288 IonicContact NH1-OE1 2.79Å
232A80.2Confident63.4Low1 Ų184 Ų841%0.00844%0.437CS..EExtended strand (participates in β ladder)trans-62.7121.117400000110.2L248 E249 G251 D252 H280 V281A232-L248 HydrophobicContact CB-CB 4.11Å; A232-L248 HydrophobicContact CB-CD2 4.42Å; A232-E249 WeakPolarHBondContact CB-O 3.26Å; A232-G251 PolarHBondContact O-N 3.3Å; A232-D252 HydrophobicContact CB-CB 4.1Å; A232-D252 PolarHBondContact N-O 2.85Å; A232-H280 CarbonylContact C-O 3.42Å; A232-H280 WeakPolarHBondContact CA-O 3.28Å; A232-V281 HydrophobicContact CB-CG1 4.41Å
233V75.6Confident63.9Low72 Ų7288.3 Ų88.344%0.43645%0.45SS..  trans-100.3-14.1175.8-66.90000111.7R231 H280 R282R231-V233 PolarHBondContact O-N 3.12Å; V233-H280 WeakPolarHBondContact CG2-O 3.49Å; V233-H280 PolarHBondContact N-O 3.49Å; V233-R282 HydrophobicContact CG1-CB 3.63Å
234Q64.9Low64.6Low95 Ų9589 Ų8944%0.44446%0.457SS..SBendtrans-134.1131.7179.9-172.5172.5-2400111.1H280Q234-H280 HydrophobicContact CB-CB 3.92Å; Q234-H280 VanDerWaalsContact CD-CD2 3.44Å; Q234-H280 VanDerWaalsContact CG-CD2 3.46Å; Q234-H280 WeakPolarHBondContact CG-CD2 3.35Å; Q234-H280 PolarHBondContact N-O 2.94Å; Q234-H280 VanDerWaalsContact N-O 3.11Å; Q234-H280 PolarHBondContact NE2-NE2 3.02Å; Q234-H280 VanDerWaalsContact NE2-NE2 3.12Å
235K75.6Confident65.9Low116 Ų11681.2 Ų81.250%0.50442%0.423SS..  trans-68.8131.2177.4-176.6167.5-178.6145.90110.3V237 L248 E249 V250K235-V237 HydrophobicContact CG-CG2 4.48Å; K235-L248 CarbonylContact C-O 3.44Å; K235-L248 WeakPolarHBondContact CA-O 3.38Å; K235-E249 IonicContact NZ-OE2 3.57Å; K235-E249 PolarHBondContact NZ-OE2 2.95Å; K235-V250 HydrophobicContact CB-CG2 4.06Å; K235-V250 VanDerWaalsContact N-CG2 3.34Å
236R68.3Low67.4Low57 Ų5774 Ų7422%0.21538%0.384CS..BIsolated β-bridgetrans-130.7116.1172.1-173.2177.8-178.2-139.45.6109.7A247 L248 H275R236-A247 WeakPolarHBondContact O-CA 3.49Å; R236-L248 HydrophobicContact CB-CB 4.12Å; R236-L248 PolarHBondContact N-O 3.36Å; R236-L248 PolarHBondContact O-N 2.54Å; R236-H275 PolarHBondContact NH1-O 3.45Å
237V71Confident68.5Low113 Ų11374.7 Ų74.769%0.68539%0.387SS*.PPolyproline II helixtrans-98116.9169.2-175.10000107.3K235K235-V237 HydrophobicContact CG-CG2 4.48Å
238P60.4Low69.2Low36 Ų3671.9 Ų71.923%0.23437%0.368CS..PPolyproline II helixtrans-66.2146.8178.527-32.1000109.1A245 A247P238-A245 HydrophobicContact CB-CB 3.64Å; P238-A247 HydrophobicContact CG-CB 3.8Å
239N58.3Low69.2Low123 Ų12376 Ų7666%0.65839%0.387SS*.PPolyproline II helixtrans-65.7145.4179.8-154.20.6000109.4Y241 D242N239-Y241 PolarHBondContact O-N 2.77Å; N239-D242 PolarHBondContact O-N 2.74Å
240A44.2Very low69Low93 Ų9377.4 Ų77.477%0.76940%0.401SS*.THydrogen-bonded Turntrans-60.7-16.3-170.400000115
241Y50.9Low68.6Low218 Ų21879.4 Ų79.486%0.85542%0.422SS*.THydrogen-bonded Turntrans-97.4-11177.6-59-82.9000113.5N239 K243N239-Y241 PolarHBondContact O-N 2.77Å; Y241-K243 PolarHBondContact O-N 3.09Å
242D59.2Low68.5Low62 Ų6276.7 Ų76.733%0.33241%0.414SS..  trans-96.295.5179.6-161.4-51000110.3N239 T244 A245 H275N239-D242 PolarHBondContact O-N 2.74Å; D242-T244 PolarHBondContact O-N 3.13Å; D242-T244 WeakPolarHBondContact OD1-CA 3.42Å; D242-T244 PolarHBondContact OD1-N 2.75Å; D242-T244 PolarHBondContact OD1-OG1 2.81Å; D242-A245 HydrophobicContact CB-CB 4.24Å; D242-A245 WeakPolarHBondContact OD1-CB 3.41Å; D242-A245 PolarHBondContact OD1-N 3.44Å; D242-H275 IonicContact OD1-CE1 2.72Å
243K57.1Low68.6Low205 Ų20579.4 Ų79.489%0.89143%0.431SS*.SBendtrans-78.2-3.4177.8-63.4-171.4179-172.70113.3Y241Y241-K243 PolarHBondContact O-N 3.09Å
244T66.7Low69Low86 Ų8676 Ų7653%0.52841%0.41SS..SBendtrans-108.4-15.3-172.661.70000113.3D242 G274 H275D242-T244 PolarHBondContact O-N 3.13Å; D242-T244 WeakPolarHBondContact OD1-CA 3.42Å; D242-T244 PolarHBondContact OD1-N 2.75Å; D242-T244 PolarHBondContact OD1-OG1 2.81Å; T244-G274 CarbonylContact O-C 3.44Å; T244-G274 WeakPolarHBondContact O-CA 3.29Å; T244-H275 PolarHBondContact O-N 3.25Å; T244-H275 PolarHBondContact O-ND1 3.16Å; T244-H275 PolarHBondContact OG1-CE1 3.46Å; T244-H275 VanDerWaalsContact OG1-CE1 3.25Å
245A71.3Confident69.8Low11 Ų1175.3 Ų75.39%0.09141%0.406CS..BIsolated β-bridgetrans-82131.6177.800000111.3P238 D242P238-A245 HydrophobicContact CB-CB 3.64Å; D242-A245 HydrophobicContact CB-CB 4.24Å; D242-A245 WeakPolarHBondContact OD1-CB 3.41Å; D242-A245 PolarHBondContact OD1-N 3.44Å
246L76.5Confident70.1Confident3 Ų369.9 Ų69.92%0.01638%0.382CS..PPolyproline II helixtrans-77.5131.2176.6-166.165.1000110.3L248 V254 C269 K272 H275 F276L246-L248 HydrophobicContact CD2-CD2 4Å; L246-L248 HydrophobicContact CG-CD2 4.25Å; L246-V254 HydrophobicContact CD2-CG1 3.75Å; L246-C269 HydrophobicContact CD1-CB 4.17Å; L246-C269 HydrophobicContact CD2-CB 3.75Å; L246-C269 HydrophobicContact CG-CB 4.16Å; L246-K272 HydrophobicContact CD1-CB 3.99Å; L246-K272 WeakPolarHBondContact CD1-O 3.38Å; L246-H275 PolarHBondContact N-O 3.36Å; L246-F276 HydrophobicContact CB-CB 4.42Å; L246-F276 HydrophobicContact CB-CD1 4.01Å; L246-F276 HydrophobicContact CD2-CD1 3.48Å; L246-F276 VanDerWaalsContact CD2-CD1 3.48Å; L246-F276 HydrophobicContact CD2-CE1 3.73Å; L246-F276 HydrophobicContact CD2-CG 4.49Å; L246-F276 HydrophobicContact CG-CD1 4.38Å
247A77.5Confident70.3Confident43 Ų4370.7 Ų70.736%0.35539%0.394SS..PPolyproline II helixtrans-78130.8169.200000110R236 P238R236-A247 WeakPolarHBondContact O-CA 3.49Å; P238-A247 HydrophobicContact CG-CB 3.8Å
248L77.1Confident70.4Confident5 Ų570 Ų703%0.02638%0.382CS..BIsolated β-bridgetrans-123.3130.7179.8-61.8178.5000109.2A232 K235 R236 L246 V254 F276 H280 V281A232-L248 HydrophobicContact CB-CB 4.11Å; A232-L248 HydrophobicContact CB-CD2 4.42Å; K235-L248 CarbonylContact C-O 3.44Å; K235-L248 WeakPolarHBondContact CA-O 3.38Å; R236-L248 HydrophobicContact CB-CB 4.12Å; R236-L248 PolarHBondContact N-O 3.36Å; R236-L248 PolarHBondContact O-N 2.54Å; L246-L248 HydrophobicContact CD2-CD2 4Å; L246-L248 HydrophobicContact CG-CD2 4.25Å; L248-V254 HydrophobicContact CD2-CG2 3.35Å; L248-F276 HydrophobicContact CD1-CB 3.67Å; L248-F276 HydrophobicContact CD1-CD2 4.09Å; L248-F276 HydrophobicContact CD1-CG 3.94Å; L248-F276 HydrophobicContact CG-CB 4.36Å; L248-H280 HydrophobicContact CD1-CB 4.11Å; L248-V281 HydrophobicContact CD1-CG1 3.83Å
249E75.8Confident70.8Confident103 Ų10369.8 Ų69.848%0.48138%0.378SS..  trans-104.8148.1163.5-168.5148.394.100110.7A232 K235 G251 D252A232-E249 WeakPolarHBondContact CB-O 3.26Å; K235-E249 IonicContact NZ-OE2 3.57Å; K235-E249 PolarHBondContact NZ-OE2 2.95Å; E249-G251 PolarHBondContact O-N 3.04Å; E249-G251 VanDerWaalsContact O-N 3.14Å; E249-D252 PolarHBondContact N-OD2 2.84Å; E249-D252 VanDerWaalsContact O-CB 3.3Å; E249-D252 WeakPolarHBondContact O-CB 3.36Å; E249-D252 PolarHBondContact O-N 2.81Å
250V76.1Confident70.8Confident90 Ų9065.6 Ų65.655%0.54536%0.355SS..THydrogen-bonded Turntrans-60.4122.7177-179.70000108.8K235K235-V250 HydrophobicContact CB-CG2 4.06Å; K235-V250 VanDerWaalsContact N-CG2 3.34Å
251G72.8Confident71Confident42 Ų4267.6 Ų67.643%0.43336%0.358SS..THydrogen-bonded Turntrans102.2-14.5-175.600000114.5A232 E249A232-G251 PolarHBondContact O-N 3.3Å; E249-G251 PolarHBondContact O-N 3.04Å; E249-G251 VanDerWaalsContact O-N 3.14Å
252D78.9Confident71.2Confident36 Ų3662.1 Ų62.119%0.19334%0.343CS..  trans-62.2139.1178.7-89.7-18.2000111.7R231 A232 E249 N270R231-D252 CarbonylContact C-O 3.49Å; R231-D252 WeakPolarHBondContact CA-O 3.31Å; A232-D252 HydrophobicContact CB-CB 4.1Å; A232-D252 PolarHBondContact N-O 2.85Å; E249-D252 PolarHBondContact N-OD2 2.84Å; E249-D252 VanDerWaalsContact O-CB 3.3Å; E249-D252 WeakPolarHBondContact O-CB 3.36Å; E249-D252 PolarHBondContact O-N 2.81Å; D252-N270 PolarHBondContact OD1-ND2 3.17Å
253T83.4Confident71.3Confident58 Ų5859.9 Ų59.936%0.35634%0.335SS..EExtended strand (participates in β ladder)trans-94.1117.1172.9-58.60000109.7Y229 L284 P290Y229-T253 HydrophobicContact CD1-CG2 4.1Å; T253-L284 HydrophobicContact CG2-CD1 4.03Å; T253-P290 HydrophobicContact CG2-CG 4.44Å
254V82.6Confident72Confident0 Ų054.1 Ų54.10%031%0.312CS..EExtended strand (participates in β ladder)trans-105.6124.1-178.3-169.20000109Y229 A230 L246 L248 V256 C269 F276 V281Y229-V254 CarbonylContact C-O 3.58Å; Y229-V254 WeakPolarHBondContact CA-O 3.33Å; A230-V254 PolarHBondContact N-O 2.77Å; A230-V254 WeakPolarHBondContact O-CA 3.43Å; A230-V254 PolarHBondContact O-N 2.83Å; L246-V254 HydrophobicContact CD2-CG1 3.75Å; L248-V254 HydrophobicContact CD2-CG2 3.35Å; V254-V256 PolarHBondContact O-N 3.06Å; V254-C269 HydrophobicContact CB-CB 4.47Å; V254-C269 HydrophobicContact CG1-CB 4.25Å; V254-C269 HydrophobicContact CG2-CB 4.1Å; V254-F276 HydrophobicContact CB-CZ 4.35Å; V254-F276 HydrophobicContact CG1-CD1 4.25Å; V254-F276 HydrophobicContact CG1-CE1 3.38Å; V254-F276 HydrophobicContact CG1-CE2 4.38Å; V254-F276 HydrophobicContact CG1-CZ 3.47Å; V254-F276 VanDerWaalsContact CG1-CZ 3.47Å; V254-V281 HydrophobicContact CG2-CG1 4.32Å
255K82.1Confident72.7Confident81 Ų8150.5 Ų50.535%0.35229%0.288SS..EExtended strand (participates in β ladder)trans-81.4106.4170.2-173.9179.1-176.8178.40108.4Y229 T257 G267 E268Y229-K255 HydrophobicContact CD1-CB 4.19Å; Y229-K255 HydrophobicContact CD1-CG 4.39Å; Y229-K255 HydrophobicContact CE1-CB 4.04Å; Y229-K255 HydrophobicContact CE1-CD 4.29Å; Y229-K255 HydrophobicContact CE1-CG 3.98Å; K255-T257 PolarHBondContact O-N 2.51Å; K255-G267 CarbonylContact O-C 3.56Å; K255-G267 WeakPolarHBondContact O-CA 3.35Å; K255-E268 PolarHBondContact N-O 3.28Å; K255-E268 PolarHBondContact O-N 3.4Å
256V81.7Confident73.1Confident2 Ų253 Ų531%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-73.2112.5179.2-170.40000108.2V228 A230 V254 I259 W265 F276V228-V256 HydrophobicContact CB-CB 4.09Å; V228-V256 HydrophobicContact CG1-CB 4.01Å; V228-V256 HydrophobicContact CG1-CG2 4.04Å; V228-V256 PolarHBondContact O-N 2.93Å; A230-V256 HydrophobicContact CB-CG2 3.7Å; V254-V256 PolarHBondContact O-N 3.06Å; V256-I259 HydrophobicContact CG1-CD1 4.24Å; V256-I259 HydrophobicContact CG1-CG1 3.55Å; V256-W265 HydrophobicContact CG1-CB 4.38Å; V256-W265 HydrophobicContact CG1-CD2 4.38Å; V256-W265 HydrophobicContact CG1-CE3 3.87Å; V256-W265 HydrophobicContact CG2-CE3 4.08Å; V256-W265 HydrophobicContact CG2-CZ3 4.38Å; V256-F276 HydrophobicContact CG2-CZ 4.25Å
257T73.8Confident73.5Confident74 Ų7452.8 Ų52.845%0.45430%0.297SS..EExtended strand (participates in β ladder)trans-95.2-27.8-179.455.90000111.7K255 E266 G267K255-T257 PolarHBondContact O-N 2.51Å; T257-E266 PolarHBondContact N-O 3.07Å; T257-E266 PolarHBondContact OG1-O 3.06Å; T257-G267 WeakPolarHBondContact OG1-CA 3.42Å
258K71.8Confident73.7Confident100 Ų10053.7 Ų53.744%0.43529%0.294SS..EExtended strand (participates in β ladder)trans-149.5127.5179.4-174.1166.6161.4-1320111.3N260 W265 E266K258-N260 WeakPolarHBondContact CE-OD1 3.4Å; K258-N260 PolarHBondContact NZ-OD1 2.89Å; K258-W265 CarbonylContact O-C 3.57Å; K258-W265 WeakPolarHBondContact O-CA 3.39Å; K258-E266 HydrophobicContact CB-CB 4.09Å; K258-E266 VanDerWaalsContact CD-OE2 3.23Å; K258-E266 WeakPolarHBondContact CD-OE2 3.29Å; K258-E266 WeakPolarHBondContact CE-OE2 3.45Å; K258-E266 PolarHBondContact N-O 3.2Å; K258-E266 IonicContact NZ-OE2 3.54Å; K258-E266 PolarHBondContact NZ-OE2 2.79Å; K258-E266 PolarHBondContact O-N 3.21Å
259I68.4Low73.9Confident31 Ų3153.7 Ų53.716%0.15929%0.294CS..  trans-102.3103.3178.3-68175000106.4L220 P221 L223 V256 W265L220-I259 HydrophobicContact CD2-CG2 3.57Å; P221-I259 HydrophobicContact CG-CD1 4.03Å; P221-I259 WeakPolarHBondContact O-CD1 3.46Å; L223-I259 HydrophobicContact CD1-CB 3.95Å; L223-I259 HydrophobicContact CD1-CD1 4.13Å; L223-I259 HydrophobicContact CD1-CG1 3.85Å; L223-I259 HydrophobicContact CD2-CD1 4.38Å; L223-I259 HydrophobicContact CG-CD1 3.92Å; L223-I259 HydrophobicContact CG-CG1 4.2Å; V256-I259 HydrophobicContact CG1-CD1 4.24Å; V256-I259 HydrophobicContact CG1-CG1 3.55Å; I259-W265 HydrophobicContact CG1-CD2 4.11Å; I259-W265 HydrophobicContact CG1-CE3 4.39Å; I259-W265 HydrophobicContact CG1-CG 4.43Å; I259-W265 HydrophobicContact CG2-CD2 4.4Å; I259-W265 HydrophobicContact CG2-CZ2 4.18Å
260N58.7Low73.8Confident34 Ų3455.1 Ų55.118%0.18231%0.305CS..  trans-86.6135.7172-57.9-66.2000109.5K258 N262 G263 Q264 E266K258-N260 WeakPolarHBondContact CE-OD1 3.4Å; K258-N260 PolarHBondContact NZ-OD1 2.89Å; N260-N262 WeakPolarHBondContact CB-OD1 3.44Å; N260-N262 PolarHBondContact O-N 2.78Å; N260-G263 PolarHBondContact O-N 3.49Å; N260-G263 VanDerWaalsContact O-N 3.14Å; N260-Q264 VanDerWaalsContact CB-O 3.24Å; N260-Q264 WeakPolarHBondContact CB-O 3.41Å; N260-Q264 PolarHBondContact ND2-O 3.15Å; N260-E266 PolarHBondContact ND2-OE2 3.31Å
261V48.3Very low73.5Confident136 Ų13653.7 Ų53.782%0.82431%0.309SS*.THydrogen-bonded Turntrans-68.1-14.6-178.1-64.70000113.6G263V261-G263 PolarHBondContact O-N 3.43Å
262N55.3Low73.5Confident102 Ų10258.7 Ų58.755%0.54532%0.319SS..THydrogen-bonded Turntrans-76.15.9171.8669.2000113.4N260 Q264N260-N262 WeakPolarHBondContact CB-OD1 3.44Å; N260-N262 PolarHBondContact O-N 2.78Å; N262-Q264 VanDerWaalsContact C-N 3.28Å; N262-Q264 PolarHBondContact O-N 3.49Å; N262-Q264 WeakPolarHBondContact OD1-CB 3.38Å; N262-Q264 PolarHBondContact OD1-N 3.35Å
263G62.1Low73.6Confident16 Ų1662.8 Ų62.817%0.16534%0.337CS..SBendtrans79.72.4-179.800000115N260 V261 P277 F278N260-G263 PolarHBondContact O-N 3.49Å; N260-G263 VanDerWaalsContact O-N 3.14Å; V261-G263 PolarHBondContact O-N 3.43Å; G263-P277 WeakPolarHBondContact O-CA 3.2Å; G263-F278 WeakPolarHBondContact O-CD1 3.26Å; G263-F278 PolarHBondContact O-N 2.9Å
264Q72.4Confident73.3Confident84 Ų8460.6 Ų60.639%0.39333%0.325SS..EExtended strand (participates in β ladder)trans-102.789.6175.8-174.9176.989.900109.8N260 N262 H275 F276N260-Q264 VanDerWaalsContact CB-O 3.24Å; N260-Q264 WeakPolarHBondContact CB-O 3.41Å; N260-Q264 PolarHBondContact ND2-O 3.15Å; N262-Q264 VanDerWaalsContact C-N 3.28Å; N262-Q264 PolarHBondContact O-N 3.49Å; N262-Q264 WeakPolarHBondContact OD1-CB 3.38Å; N262-Q264 PolarHBondContact OD1-N 3.35Å; Q264-H275 HydrophobicContact CG-CB 3.77Å; Q264-H275 PolarHBondContact NE2-CD2 3.09Å; Q264-H275 VanDerWaalsContact NE2-CD2 3.27Å; Q264-F276 CarbonylContact C-O 3.59Å
265W80.9Confident73.1Confident9 Ų961.8 Ų61.83%0.03433%0.331CS..EExtended strand (participates in β ladder)trans-76155.6178.7-64.15.2000110.7L220 V256 K258 I259 H275 F276 F278 V281 L283L220-W265 HydrophobicContact CD2-CZ2 3.59Å; L220-W265 HydrophobicContact CG-CZ2 4.42Å; V256-W265 HydrophobicContact CG1-CB 4.38Å; V256-W265 HydrophobicContact CG1-CD2 4.38Å; V256-W265 HydrophobicContact CG1-CE3 3.87Å; V256-W265 HydrophobicContact CG2-CE3 4.08Å; V256-W265 HydrophobicContact CG2-CZ3 4.38Å; K258-W265 CarbonylContact O-C 3.57Å; K258-W265 WeakPolarHBondContact O-CA 3.39Å; I259-W265 HydrophobicContact CG1-CD2 4.11Å; I259-W265 HydrophobicContact CG1-CE3 4.39Å; I259-W265 HydrophobicContact CG1-CG 4.43Å; I259-W265 HydrophobicContact CG2-CD2 4.4Å; I259-W265 HydrophobicContact CG2-CZ2 4.18Å; W265-H275 CarbonylContact O-C 3.58Å; W265-H275 VanDerWaalsContact O-CA 3.23Å; W265-H275 WeakPolarHBondContact O-CA 3.49Å; W265-F276 HydrophobicContact CB-CD2 4.38Å; W265-F276 HydrophobicContact CB-CE2 3.87Å; W265-F276 HydrophobicContact CB-CZ 4.05Å; W265-F276 HydrophobicContact CE3-CE2 4.33Å; W265-F276 PolarHBondContact N-O 2.85Å; W265-F276 PolarHBondContact O-N 3.21Å; W265-F278 HydrophobicContact CD2-CB 3.57Å; W265-F278 HydrophobicContact CE3-CB 4.07Å; W265-F278 HydrophobicContact CG-CB 3.96Å; W265-F278 HydrophobicContact CH2-CB 4.11Å; W265-F278 HydrophobicContact CZ2-CB 3.62Å; W265-F278 HydrophobicContact CZ2-CD2 4.4Å; W265-F278 HydrophobicContact CZ2-CG 4.26Å; W265-F278 HydrophobicContact CZ3-CB 4.31Å; W265-V281 HydrophobicContact CE3-CG2 4.16Å; W265-V281 HydrophobicContact CZ3-CG2 4.15Å; W265-L283 HydrophobicContact CH2-CD1 3.93Å; W265-L283 HydrophobicContact CH2-CD2 3.82Å; W265-L283 HydrophobicContact CH2-CG 3.95Å; W265-L283 HydrophobicContact CZ3-CD1 4.46Å; W265-L283 HydrophobicContact CZ3-CD2 3.51Å; W265-L283 HydrophobicContact CZ3-CG 4Å
266E79.8Confident72.8Confident63 Ų6357.9 Ų57.929%0.29431%0.314SS..EExtended strand (participates in β ladder)trans-116.9145.4172.2-52.916768.300108.5T257 K258 N260 G274 H275T257-E266 PolarHBondContact N-O 3.07Å; T257-E266 PolarHBondContact OG1-O 3.06Å; K258-E266 HydrophobicContact CB-CB 4.09Å; K258-E266 VanDerWaalsContact CD-OE2 3.23Å; K258-E266 WeakPolarHBondContact CD-OE2 3.29Å; K258-E266 WeakPolarHBondContact CE-OE2 3.45Å; K258-E266 PolarHBondContact N-O 3.2Å; K258-E266 IonicContact NZ-OE2 3.54Å; K258-E266 PolarHBondContact NZ-OE2 2.79Å; K258-E266 PolarHBondContact O-N 3.21Å; N260-E266 PolarHBondContact ND2-OE2 3.31Å; E266-G274 WeakPolarHBondContact CA-O 3.5Å; E266-H275 HydrophobicContact CG-CB 4.07Å
267G83.9Confident72.3Confident0 Ų059.3 Ų59.30%032%0.323CS..EExtended strand (participates in β ladder)trans-169.4179.2-179.500000112K255 T257 H273 G274K255-G267 CarbonylContact O-C 3.56Å; K255-G267 WeakPolarHBondContact O-CA 3.35Å; T257-G267 WeakPolarHBondContact OG1-CA 3.42Å; G267-H273 WeakPolarHBondContact O-CA 3.24Å; G267-G274 PolarHBondContact N-O 3.1Å; G267-G274 PolarHBondContact O-N 3.46Å
268E82.3Confident72.2Confident62 Ų6258.4 Ų58.429%0.2931%0.313SS..EExtended strand (participates in β ladder)trans-115130.2-179.8-173.3-17450.100109.2K255 K272 H273K255-E268 PolarHBondContact N-O 3.28Å; K255-E268 PolarHBondContact O-N 3.4Å; E268-K272 CarbonylContact C-O 3.58Å; E268-K272 VanDerWaalsContact CA-O 3.26Å; E268-K272 WeakPolarHBondContact CA-O 3.42Å; E268-H273 VanDerWaalsContact CD-CE1 3.49Å; E268-H273 IonicContact OE2-CE1 2.87Å; E268-H273 PolarHBondContact OE2-CE1 2.8Å; E268-H273 IonicContact OE2-ND1 2.7Å; E268-H273 IonicContact OE2-NE2 2.97Å; E268-H273 PolarHBondContact OE2-NE2 3.46Å; E268-H273 VanDerWaalsContact OE2-NE2 3.14Å
269C81.3Confident72Confident5 Ų557.2 Ų57.23%0.03431%0.314CS..EExtended strand (participates in β ladder)trans-138.2130.1173.9-1720000109.1L246 V254 G271 K272L246-C269 HydrophobicContact CD1-CB 4.17Å; L246-C269 HydrophobicContact CD2-CB 3.75Å; L246-C269 HydrophobicContact CG-CB 4.16Å; V254-C269 HydrophobicContact CB-CB 4.47Å; V254-C269 HydrophobicContact CG1-CB 4.25Å; V254-C269 HydrophobicContact CG2-CB 4.1Å; C269-G271 PolarHBondContact O-N 2.92Å; C269-G271 VanDerWaalsContact O-N 3.17Å; C269-K272 PolarHBondContact N-O 3.17Å; C269-K272 PolarHBondContact O-N 3.12Å
270N73.2Confident72.2Confident132 Ų13257.2 Ų57.271%0.70631%0.313SS*.THydrogen-bonded Turntrans50.539.6179.5-68.4-49.8000113.5D252 K272D252-N270 PolarHBondContact OD1-ND2 3.17Å; N270-K272 PolarHBondContact O-N 3.41Å
271G70.6Confident73Confident61 Ų6156.3 Ų56.363%0.62931%0.309SS*.THydrogen-bonded Turntrans73.26-179.200000115.5C269C269-G271 PolarHBondContact O-N 2.92Å; C269-G271 VanDerWaalsContact O-N 3.17Å
272K73.2Confident74.4Confident146 Ų14657.4 Ų57.464%0.63530%0.298SS*.EExtended strand (participates in β ladder)trans-105.7140.1174-65.5-178.5-178174.30109.5L246 E268 C269 N270L246-K272 HydrophobicContact CD1-CB 3.99Å; L246-K272 WeakPolarHBondContact CD1-O 3.38Å; E268-K272 CarbonylContact C-O 3.58Å; E268-K272 VanDerWaalsContact CA-O 3.26Å; E268-K272 WeakPolarHBondContact CA-O 3.42Å; C269-K272 PolarHBondContact N-O 3.17Å; C269-K272 PolarHBondContact O-N 3.12Å; N270-K272 PolarHBondContact O-N 3.41Å
273H79.8Confident75.4Confident123 Ų12354 Ų5457%0.56928%0.279SS*.EExtended strand (participates in β ladder)trans-108.4142.1177-62.477.7000109.8G267 E268G267-H273 WeakPolarHBondContact O-CA 3.24Å; E268-H273 VanDerWaalsContact CD-CE1 3.49Å; E268-H273 IonicContact OE2-CE1 2.87Å; E268-H273 PolarHBondContact OE2-CE1 2.8Å; E268-H273 IonicContact OE2-ND1 2.7Å; E268-H273 IonicContact OE2-NE2 2.97Å; E268-H273 PolarHBondContact OE2-NE2 3.46Å; E268-H273 VanDerWaalsContact OE2-NE2 3.14Å
274G77.5Confident76Confident11 Ų1154.2 Ų54.211%0.11328%0.277CS..EExtended strand (participates in β ladder)trans178.1179.5173.900000113T244 E266 G267T244-G274 CarbonylContact O-C 3.44Å; T244-G274 WeakPolarHBondContact O-CA 3.29Å; E266-G274 WeakPolarHBondContact CA-O 3.5Å; G267-G274 PolarHBondContact N-O 3.1Å; G267-G274 PolarHBondContact O-N 3.46Å
275H78.6Confident75.6Confident25 Ų2555.9 Ų55.912%0.11629%0.288CS..EExtended strand (participates in β ladder)trans-92142.3178.670.7-95.8000111R236 D242 T244 L246 Q264 W265 E266R236-H275 PolarHBondContact NH1-O 3.45Å; D242-H275 IonicContact OD1-CE1 2.72Å; T244-H275 PolarHBondContact O-N 3.25Å; T244-H275 PolarHBondContact O-ND1 3.16Å; T244-H275 PolarHBondContact OG1-CE1 3.46Å; T244-H275 VanDerWaalsContact OG1-CE1 3.25Å; L246-H275 PolarHBondContact N-O 3.36Å; Q264-H275 HydrophobicContact CG-CB 3.77Å; Q264-H275 PolarHBondContact NE2-CD2 3.09Å; Q264-H275 VanDerWaalsContact NE2-CD2 3.27Å; W265-H275 CarbonylContact O-C 3.58Å; W265-H275 VanDerWaalsContact O-CA 3.23Å; W265-H275 WeakPolarHBondContact O-CA 3.49Å; E266-H275 HydrophobicContact CG-CB 4.07Å
276F76Confident74.4Confident0 Ų060.4 Ų60.40%031%0.313CS..EExtended strand (participates in β ladder)trans-144.8145.9174.858.6-87.9000112.6L246 L248 V254 V256 Q264 W265 F278 V281L246-F276 HydrophobicContact CB-CB 4.42Å; L246-F276 HydrophobicContact CB-CD1 4.01Å; L246-F276 HydrophobicContact CD2-CD1 3.48Å; L246-F276 VanDerWaalsContact CD2-CD1 3.48Å; L246-F276 HydrophobicContact CD2-CE1 3.73Å; L246-F276 HydrophobicContact CD2-CG 4.49Å; L246-F276 HydrophobicContact CG-CD1 4.38Å; L248-F276 HydrophobicContact CD1-CB 3.67Å; L248-F276 HydrophobicContact CD1-CD2 4.09Å; L248-F276 HydrophobicContact CD1-CG 3.94Å; L248-F276 HydrophobicContact CG-CB 4.36Å; V254-F276 HydrophobicContact CB-CZ 4.35Å; V254-F276 HydrophobicContact CG1-CD1 4.25Å; V254-F276 HydrophobicContact CG1-CE1 3.38Å; V254-F276 HydrophobicContact CG1-CE2 4.38Å; V254-F276 HydrophobicContact CG1-CZ 3.47Å; V254-F276 VanDerWaalsContact CG1-CZ 3.47Å; V256-F276 HydrophobicContact CG2-CZ 4.25Å; Q264-F276 CarbonylContact C-O 3.59Å; W265-F276 HydrophobicContact CB-CD2 4.38Å; W265-F276 HydrophobicContact CB-CE2 3.87Å; W265-F276 HydrophobicContact CB-CZ 4.05Å; W265-F276 HydrophobicContact CE3-CE2 4.33Å; W265-F276 PolarHBondContact N-O 2.85Å; W265-F276 PolarHBondContact O-N 3.21Å; F276-F278 PolarHBondContact O-N 3.23Å; F276-V281 HydrophobicContact CD2-CG1 3.71Å; F276-V281 HydrophobicContact CD2-CG2 4.16Å; F276-V281 HydrophobicContact CE2-CB 4.31Å; F276-V281 HydrophobicContact CE2-CG1 3.68Å; F276-V281 HydrophobicContact CE2-CG2 3.66Å
277P70.9Confident73.3Confident31 Ų3163.1 Ų63.120%0.20134%0.34CS..EExtended strand (participates in β ladder)trans-65.7133.1174.527.5-35.5000110.7G263 T279 H280G263-P277 WeakPolarHBondContact O-CA 3.2Å; P277-T279 PolarHBondContact O-N 3.15Å; P277-T279 VanDerWaalsContact O-N 3.14Å; P277-H280 HydrophobicContact CG-CB 4.29Å; P277-H280 WeakPolarHBondContact CG-ND1 3.48Å; P277-H280 PolarHBondContact O-N 3.36Å; P277-H280 VanDerWaalsContact O-N 3.11Å
278F72.1Confident71.9Confident56 Ų5667.6 Ų67.625%0.24636%0.36CS..G310 helixtrans-59.2-27.7178.883.2-80.8000112.7P181 G263 W265 F276 H280 V281P181-F278 HydrophobicContact CB-CZ 4.42Å; G263-F278 WeakPolarHBondContact O-CD1 3.26Å; G263-F278 PolarHBondContact O-N 2.9Å; W265-F278 HydrophobicContact CD2-CB 3.57Å; W265-F278 HydrophobicContact CE3-CB 4.07Å; W265-F278 HydrophobicContact CG-CB 3.96Å; W265-F278 HydrophobicContact CH2-CB 4.11Å; W265-F278 HydrophobicContact CZ2-CB 3.62Å; W265-F278 HydrophobicContact CZ2-CD2 4.4Å; W265-F278 HydrophobicContact CZ2-CG 4.26Å; W265-F278 HydrophobicContact CZ3-CB 4.31Å; F276-F278 PolarHBondContact O-N 3.23Å; F278-H280 PolarHBondContact O-N 2.7Å; F278-H280 VanDerWaalsContact O-N 3.08Å; F278-V281 WeakPolarHBondContact O-CG2 3.2Å; F278-V281 PolarHBondContact O-N 2.98Å
279T67.6Low70.8Confident74 Ų7469.1 Ų69.145%0.45436%0.364SS..G310 helixtrans-61.1-18.9178.956.20000113.8P277P277-T279 PolarHBondContact O-N 3.15Å; P277-T279 VanDerWaalsContact O-N 3.14Å
280H71.2Confident69.6Low32 Ų3272.8 Ų72.815%0.14839%0.387CS..G310 helixtrans-94.4-2.6-179.2-67.555000113A232 V233 Q234 L248 P277 F278A232-H280 CarbonylContact C-O 3.42Å; A232-H280 WeakPolarHBondContact CA-O 3.28Å; V233-H280 WeakPolarHBondContact CG2-O 3.49Å; V233-H280 PolarHBondContact N-O 3.49Å; Q234-H280 HydrophobicContact CB-CB 3.92Å; Q234-H280 VanDerWaalsContact CD-CD2 3.44Å; Q234-H280 VanDerWaalsContact CG-CD2 3.46Å; Q234-H280 WeakPolarHBondContact CG-CD2 3.35Å; Q234-H280 PolarHBondContact N-O 2.94Å; Q234-H280 VanDerWaalsContact N-O 3.11Å; Q234-H280 PolarHBondContact NE2-NE2 3.02Å; Q234-H280 VanDerWaalsContact NE2-NE2 3.12Å; L248-H280 HydrophobicContact CD1-CB 4.11Å; P277-H280 HydrophobicContact CG-CB 4.29Å; P277-H280 WeakPolarHBondContact CG-ND1 3.48Å; P277-H280 PolarHBondContact O-N 3.36Å; P277-H280 VanDerWaalsContact O-N 3.11Å; F278-H280 PolarHBondContact O-N 2.7Å; F278-H280 VanDerWaalsContact O-N 3.08Å
281V76.3Confident68.6Low14 Ų1475.4 Ų75.49%0.08540%0.395CS..EExtended strand (participates in β ladder)trans-129.1153.1-178.5-57.10000110.9A230 R231 A232 L248 V254 W265 F276 F278A230-V281 HydrophobicContact CB-CB 3.83Å; A230-V281 HydrophobicContact CB-CG2 3.85Å; R231-V281 CarbonylContact O-C 3.53Å; R231-V281 WeakPolarHBondContact O-CA 3.38Å; A232-V281 HydrophobicContact CB-CG1 4.41Å; L248-V281 HydrophobicContact CD1-CG1 3.83Å; V254-V281 HydrophobicContact CG2-CG1 4.32Å; W265-V281 HydrophobicContact CE3-CG2 4.16Å; W265-V281 HydrophobicContact CZ3-CG2 4.15Å; F276-V281 HydrophobicContact CD2-CG1 3.71Å; F276-V281 HydrophobicContact CD2-CG2 4.16Å; F276-V281 HydrophobicContact CE2-CB 4.31Å; F276-V281 HydrophobicContact CE2-CG1 3.68Å; F276-V281 HydrophobicContact CE2-CG2 3.66Å; F278-V281 WeakPolarHBondContact O-CG2 3.2Å; F278-V281 PolarHBondContact O-N 2.98Å
282R77.1Confident67.3Low159 Ų15979.3 Ų79.360%0.640%0.402SS*.EExtended strand (participates in β ladder)trans-119.1125.8172.9-176.9180-177.4-179-0.5108.1A230 R231 V233 L284A230-R282 CarbonylContact C-O 3.44Å; A230-R282 VanDerWaalsContact CA-O 3.23Å; A230-R282 WeakPolarHBondContact CA-O 3.06Å; R231-R282 PolarHBondContact N-O 2.98Å; R231-R282 PolarHBondContact O-N 3.35Å; V233-R282 HydrophobicContact CG1-CB 3.63Å; R282-L284 PolarHBondContact O-N 3.12Å
283L76Confident65.7Low30 Ų3081.6 Ų81.616%0.15742%0.415CS..EExtended strand (participates in β ladder)trans-60.2135.9176.5-66.4163.2000110.5A218 Q219 P221 V228 A230 W265A218-L283 HydrophobicContact CB-CD1 4.4Å; Q219-L283 WeakPolarHBondContact O-CD1 3.19Å; P221-L283 HydrophobicContact CG-CD1 3.63Å; P221-L283 HydrophobicContact CG-CD2 3.66Å; P221-L283 HydrophobicContact CG-CG 4.23Å; V228-L283 HydrophobicContact CG1-CD2 3.39Å; A230-L283 HydrophobicContact CB-CD2 4.24Å; W265-L283 HydrophobicContact CH2-CD1 3.93Å; W265-L283 HydrophobicContact CH2-CD2 3.82Å; W265-L283 HydrophobicContact CH2-CG 3.95Å; W265-L283 HydrophobicContact CZ3-CD1 4.46Å; W265-L283 HydrophobicContact CZ3-CD2 3.51Å; W265-L283 HydrophobicContact CZ3-CG 4Å
284L74.4Confident63.9Low21 Ų2181.5 Ų81.511%0.1142%0.423CS..PPolyproline II helixtrans-93.7129.4172.9-68.1160.7000107.6Y229 R231 T253 R282 E288Y229-L284 PolarHBondContact O-N 2.77Å; R231-L284 HydrophobicContact CB-CD1 4.02Å; R231-L284 HydrophobicContact CB-CD2 4.04Å; R231-L284 HydrophobicContact CB-CG 4.05Å; T253-L284 HydrophobicContact CG2-CD1 4.03Å; R282-L284 PolarHBondContact O-N 3.12Å; L284-E288 HydrophobicContact CB-CB 4.28Å; L284-E288 HydrophobicContact CD2-CB 3.71Å
285D65.3Low61.8Low119 Ų11992 Ų9264%0.63648%0.476SS*.PPolyproline II helixtrans-68.1161.8170.2-68.9-72.5000110.5S287 E288D285-S287 PolarHBondContact O-N 3.3Å; D285-E288 PolarHBondContact O-N 3.45Å
286D56.2Low60.9Low104 Ų10495.4 Ų95.456%0.55649%0.494SS*.G310 helixtrans-50.7-30.2179.7-146.2-73.2000112.4R289D286-R289 IonicContact OD1-CZ 2.74Å; D286-R289 IonicContact OD1-NH1 3.09Å; D286-R289 PolarHBondContact OD1-NH1 2.99Å; D286-R289 IonicContact OD2-CZ 3.71Å; D286-R289 IonicContact OD2-NE 2.64Å; D286-R289 IonicContact OD2-NH1 3.06Å; D286-R289 PolarHBondContact OD2-NH1 3.47Å; D286-R289 IonicContact OD2-NH2 3.65Å; D286-R289 PolarHBondContact OD2-NH2 3.26Å
287S55.5Low60.1Low121 Ų121100.4 Ų100.485%0.84652%0.52SS*.G310 helixtrans-76.2-14.4178.4-520000115.7D285D285-S287 PolarHBondContact O-N 3.3Å
288E55.6Low59.5Low94 Ų94104.2 Ų104.244%0.43954%0.538SS..G310 helixtrans-111.113.4178.4-66.2-167.692.200112.3R231 L284 D285R231-E288 IonicContact NH1-OE1 2.79Å; L284-E288 HydrophobicContact CB-CB 4.28Å; L284-E288 HydrophobicContact CD2-CB 3.71Å; D285-E288 PolarHBondContact O-N 3.45Å
289R58.7Low58.8Low94 Ų94107.1 Ų107.136%0.35556%0.555SS.*SBendtrans-62.8135.2173.2-72.2-179.8176.3154.87.9109.1Y229 D286 E291Y229-R289 HydrophobicContact CD2-CG 4.34Å; D286-R289 IonicContact OD1-CZ 2.74Å; D286-R289 IonicContact OD1-NH1 3.09Å; D286-R289 PolarHBondContact OD1-NH1 2.99Å; D286-R289 IonicContact OD2-CZ 3.71Å; D286-R289 IonicContact OD2-NE 2.64Å; D286-R289 IonicContact OD2-NH1 3.06Å; D286-R289 PolarHBondContact OD2-NH1 3.47Å; D286-R289 IonicContact OD2-NH2 3.65Å; D286-R289 PolarHBondContact OD2-NH2 3.26Å; R289-E291 PolarHBondContact O-N 3.04Å
290P55.6Low58.3Low82 Ų82109.1 Ų109.153%0.53256%0.562SS.*  trans-59.6112.3167.325.5-30.2000106.7T253 D292T253-P290 HydrophobicContact CG2-CG 4.44Å; P290-D292 PolarHBondContact O-N 3.01Å; P290-D292 VanDerWaalsContact O-N 3.07Å
291E53.5Low57.4Low187 Ų187114.3 Ų114.387%0.87459%0.589SS**  trans-54.5116.3164.5-70.2179.79100105.5R289 E293R289-E291 PolarHBondContact O-N 3.04Å; E291-E293 VanDerWaalsContact C-N 3.3Å; E291-E293 PolarHBondContact O-N 2.79Å
292D42.6Very low56.1Low142 Ų142121.4 Ų121.476%0.75963%0.625SS**  trans-60100.5172.2-166-98.2000105.8P290 T294P290-D292 PolarHBondContact O-N 3.01Å; P290-D292 VanDerWaalsContact O-N 3.07Å; D292-T294 PolarHBondContact O-N 3.31Å; D292-T294 PolarHBondContact OD1-OG1 2.96Å
293E39.8Very low54.4Low195 Ų195118.5 Ų118.591%0.91163%0.627SS**  trans-61.487.9167-110.6178.582.600106.3E291 D295E291-E293 VanDerWaalsContact C-N 3.3Å; E291-E293 PolarHBondContact O-N 2.79Å; E293-D295 PolarHBondContact O-N 3.28Å
294T41.1Very low52.6Low121 Ų121125.9 Ų125.974%0.74267%0.666SS**  trans-72.1102.7158.7-55.80000107D292D292-T294 PolarHBondContact O-N 3.31Å; D292-T294 PolarHBondContact OD1-OG1 2.96Å
295D33.5Very low50.7Low231 Ų231135.5 Ų135.5100%1.23572%0.717SS**  trans-147.10142.9-159.1-112.4000110.6E293E293-D295 PolarHBondContact O-N 3.28Å

Retrieved 295 of 295 residues in 196.2 ms (Link to these results)

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