A0A3Q0KMZ1_SCHMA Loading...

Proline--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KMZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,346 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
1M42.6Very low63.4Low124 Ų12458.2 Ų58.261%0.61132%0.316SS*.  0-67.80-92.2-162.7167.800114.5V3 C4 L5 D35M1-V3 PolarHBondContact O-N 3.45Å; M1-C4 PolarHBondContact O-N 2.76Å; M1-L5 WeakPolarHBondContact O-CB 3.15Å; M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.11Å; M1-D35 WeakPolarHBondContact CA-OD2 3.45Å; M1-D35 PolarHBondContact N-OD2 2.91Å
2C53.9Low64.2Low104 Ų10453.8 Ų53.870%0.70329%0.293SS*.Hα-helixtrans-55.4-43.9-165.7-690000114.3E6C2-E6 WeakPolarHBondContact O-CB 3.3Å; C2-E6 WeakPolarHBondContact O-CG 3.28Å; C2-E6 PolarHBondContact O-N 3.15Å
3V57.1Low64.6Low68 Ų6858.9 Ų58.941%0.41231%0.31SS..Hα-helixtrans-69.2-49.7-175.9-174.30000112.6M1 L5 E6 A7M1-V3 PolarHBondContact O-N 3.45Å; V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.26Å; V3-E6 PolarHBondContact O-N 3.08Å; V3-A7 VanDerWaalsContact O-CB 3.32Å; V3-A7 WeakPolarHBondContact O-CB 3.47Å; V3-A7 PolarHBondContact O-N 3.38Å
4C61.3Low64.8Low9 Ų967.6 Ų67.66%0.06134%0.338CS..Hα-helixtrans-60.5-45.6179.7-57.90000111.6M1 F8 Y40 L80M1-C4 PolarHBondContact O-N 2.76Å; C4-F8 WeakPolarHBondContact O-CB 3.36Å; C4-F8 PolarHBondContact O-N 3Å; C4-Y40 VanDerWaalsContact SG-CD2 3.52Å; C4-L80 HydrophobicContact CB-CD2 3.68Å
5L67.4Low65Low33 Ų3365.1 Ų65.117%0.17333%0.325CS..Hα-helixtrans-70.6-39.9-177179.560.8000111.9M1 V3 F8 K9 L28 L80M1-L5 WeakPolarHBondContact O-CB 3.15Å; M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.11Å; V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.26Å; L5-F8 PolarHBondContact O-N 2.97Å; L5-K9 HydrophobicContact CD1-CD 4.44Å; L5-K9 HydrophobicContact CD1-CG 4.31Å; L5-K9 HydrophobicContact CG-CD 4.2Å; L5-K9 WeakPolarHBondContact O-CB 3.35Å; L5-K9 VanDerWaalsContact O-CG 3.24Å; L5-K9 WeakPolarHBondContact O-CG 3.46Å; L5-K9 PolarHBondContact O-N 3.14Å; L5-L28 HydrophobicContact CD1-CD1 3.34Å; L5-L28 HydrophobicContact CD1-CD2 3.91Å; L5-L28 HydrophobicContact CD1-CG 4.29Å; L5-L28 HydrophobicContact CD2-CD1 4.17Å; L5-L28 HydrophobicContact CG-CD1 4.39Å; L5-L80 HydrophobicContact CB-CD2 4.5Å; L5-L80 HydrophobicContact CD1-CD1 4.19Å
6E67.4Low65.4Low110 Ų11061.4 Ų61.451%0.51431%0.307SS..Hα-helixtrans-61.6-49.7173.5-75-87.1129.600110.6C2 V3 F8 K9 E10C2-E6 WeakPolarHBondContact O-CB 3.3Å; C2-E6 WeakPolarHBondContact O-CG 3.28Å; C2-E6 PolarHBondContact O-N 3.15Å; V3-E6 PolarHBondContact O-N 3.08Å; E6-F8 VanDerWaalsContact C-N 3.28Å; E6-F8 PolarHBondContact O-N 3.2Å; E6-K9 PolarHBondContact O-N 3.01Å; E6-K9 VanDerWaalsContact O-N 3.14Å; E6-E10 WeakPolarHBondContact O-CB 3.33Å; E6-E10 PolarHBondContact O-N 3.13Å
7A65.2Low65.2Low21 Ų2164.1 Ų64.117%0.17433%0.33CS..Hα-helixtrans-57.8-41.9177.900000112V3 S11 L686V3-A7 VanDerWaalsContact O-CB 3.32Å; V3-A7 WeakPolarHBondContact O-CB 3.47Å; V3-A7 PolarHBondContact O-N 3.38Å; A7-S11 WeakPolarHBondContact O-CB 3.15Å; A7-S11 PolarHBondContact O-N 3.21Å; A7-S11 VanDerWaalsContact O-N 3.12Å; A7-L686 HydrophobicContact CB-CB 4.06Å; A7-L686 HydrophobicContact CB-CD2 4.37Å
8F72Confident65.4Low0 Ų062.8 Ų62.80%034%0.335CS..Hα-helixtrans-65.4-47.7175.4-179.2-127.6000112.1C4 L5 E6 E10 S11 L12 L24 V43 T47 L80 L83 A84 F88C4-F8 WeakPolarHBondContact O-CB 3.36Å; C4-F8 PolarHBondContact O-N 3Å; L5-F8 PolarHBondContact O-N 2.97Å; E6-F8 VanDerWaalsContact C-N 3.28Å; E6-F8 PolarHBondContact O-N 3.2Å; F8-E10 VanDerWaalsContact C-N 3.33Å; F8-E10 PolarHBondContact O-N 3.16Å; F8-S11 PolarHBondContact O-N 3.02Å; F8-L12 HydrophobicContact CD1-CD1 3.95Å; F8-L12 HydrophobicContact CD2-CD1 4.2Å; F8-L12 HydrophobicContact CD2-CG 4.28Å; F8-L12 HydrophobicContact CE1-CD1 3.56Å; F8-L12 HydrophobicContact CE2-CD1 3.81Å; F8-L12 HydrophobicContact CE2-CD2 4.14Å; F8-L12 HydrophobicContact CE2-CG 3.93Å; F8-L12 HydrophobicContact CG-CD1 4.26Å; F8-L12 HydrophobicContact CZ-CD1 3.49Å; F8-L12 VanDerWaalsContact CZ-CD1 3.49Å; F8-L12 HydrophobicContact CZ-CD2 4.26Å; F8-L12 HydrophobicContact CZ-CG 4.09Å; F8-L12 VanDerWaalsContact O-CG 3.31Å; F8-L12 WeakPolarHBondContact O-CG 3.42Å; F8-L12 PolarHBondContact O-N 2.99Å; F8-L24 HydrophobicContact CD1-CD2 4.24Å; F8-L24 HydrophobicContact CE1-CD2 4.18Å; F8-V43 HydrophobicContact CB-CG1 3.97Å; F8-T47 HydrophobicContact CD2-CG2 4.41Å; F8-L80 HydrophobicContact CD1-CD1 3.95Å; F8-L80 HydrophobicContact CE1-CD1 4.44Å; F8-L83 HydrophobicContact CE1-CD2 4.05Å; F8-L83 HydrophobicContact CE1-CG 4.08Å; F8-L83 HydrophobicContact CZ-CG 4.32Å; F8-A84 HydrophobicContact CD2-CB 3.86Å; F8-A84 VanDerWaalsContact CE2-CA 3.47Å; F8-A84 HydrophobicContact CE2-CB 3.71Å; F8-A84 HydrophobicContact CG-CB 4.48Å; F8-A84 HydrophobicContact CZ-CB 4.18Å; F8-F88 HydrophobicContact CD2-CE2 4.24Å; F8-F88 HydrophobicContact CE2-CD2 4.3Å; F8-F88 AromaticContact CE2-CE2 3.97Å; F8-F88 HydrophobicContact CE2-CE2 3.97Å
9K71.1Confident65.7Low40 Ų4061 Ų6117%0.17433%0.325CS..Hα-helixtrans-59.9-41.2177.8-79.1172.9178.1178.20112.5L5 E6 L12 K13 L24L5-K9 HydrophobicContact CD1-CD 4.44Å; L5-K9 HydrophobicContact CD1-CG 4.31Å; L5-K9 HydrophobicContact CG-CD 4.2Å; L5-K9 WeakPolarHBondContact O-CB 3.35Å; L5-K9 VanDerWaalsContact O-CG 3.24Å; L5-K9 WeakPolarHBondContact O-CG 3.46Å; L5-K9 PolarHBondContact O-N 3.14Å; E6-K9 PolarHBondContact O-N 3.01Å; E6-K9 VanDerWaalsContact O-N 3.14Å; K9-L12 WeakPolarHBondContact O-CB 3.42Å; K9-L12 PolarHBondContact O-N 3.4Å; K9-K13 PolarHBondContact O-N 2.9Å; K9-L24 HydrophobicContact CG-CD2 3.64Å
10E69.1Low66Low111 Ų11162.3 Ų62.352%0.51933%0.332SS..Hα-helixtrans-70.1-41-177.9-151.6176.6-157.900111.1E6 F8 L12 K13 Y14 L686E6-E10 WeakPolarHBondContact O-CB 3.33Å; E6-E10 PolarHBondContact O-N 3.13Å; F8-E10 VanDerWaalsContact C-N 3.33Å; F8-E10 PolarHBondContact O-N 3.16Å; E10-L12 VanDerWaalsContact C-N 3.28Å; E10-L12 PolarHBondContact O-N 2.83Å; E10-K13 PolarHBondContact O-N 3.31Å; E10-Y14 PolarHBondContact O-N 2.9Å; E10-L686 WeakPolarHBondContact OE2-CD1 3.41Å
11S70.7Confident66.1Low20 Ų2063.1 Ų63.114%0.1433%0.334CS..Hα-helixtrans-60.8-38.8171.7-156.70000111.9A7 F8 Y14 H15 F88A7-S11 WeakPolarHBondContact O-CB 3.15Å; A7-S11 PolarHBondContact O-N 3.21Å; A7-S11 VanDerWaalsContact O-N 3.12Å; F8-S11 PolarHBondContact O-N 3.02Å; S11-Y14 PolarHBondContact O-N 2.95Å; S11-H15 PolarHBondContact O-CD2 3.42Å; S11-H15 PolarHBondContact O-N 3.19Å; S11-H15 VanDerWaalsContact O-N 3.16Å; S11-F88 WeakPolarHBondContact OG-CZ 3.49Å
12L72.3Confident67.5Low6 Ų661.7 Ų61.73%0.03133%0.329CS..Hα-helixtrans-67.2-39.9174.7-72.2170.2000113.3F8 K9 E10 Y14 H15 L16 L24 T87F8-L12 HydrophobicContact CD1-CD1 3.95Å; F8-L12 HydrophobicContact CD2-CD1 4.2Å; F8-L12 HydrophobicContact CD2-CG 4.28Å; F8-L12 HydrophobicContact CE1-CD1 3.56Å; F8-L12 HydrophobicContact CE2-CD1 3.81Å; F8-L12 HydrophobicContact CE2-CD2 4.14Å; F8-L12 HydrophobicContact CE2-CG 3.93Å; F8-L12 HydrophobicContact CG-CD1 4.26Å; F8-L12 HydrophobicContact CZ-CD1 3.49Å; F8-L12 VanDerWaalsContact CZ-CD1 3.49Å; F8-L12 HydrophobicContact CZ-CD2 4.26Å; F8-L12 HydrophobicContact CZ-CG 4.09Å; F8-L12 VanDerWaalsContact O-CG 3.31Å; F8-L12 WeakPolarHBondContact O-CG 3.42Å; F8-L12 PolarHBondContact O-N 2.99Å; K9-L12 WeakPolarHBondContact O-CB 3.42Å; K9-L12 PolarHBondContact O-N 3.4Å; E10-L12 VanDerWaalsContact C-N 3.28Å; E10-L12 PolarHBondContact O-N 2.83Å; L12-Y14 PolarHBondContact O-N 3.14Å; L12-H15 PolarHBondContact O-N 2.87Å; L12-L16 HydrophobicContact CD2-CD1 4.02Å; L12-L16 CarbonylContact O-C 3.51Å; L12-L16 WeakPolarHBondContact O-CA 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 PolarHBondContact O-N 2.87Å; L12-L24 HydrophobicContact CD1-CD1 3.34Å; L12-L24 HydrophobicContact CD1-CD2 3.75Å; L12-L24 HydrophobicContact CD1-CG 4.17Å; L12-T87 HydrophobicContact CD2-CG2 3.35Å
13K69.7Low68.1Low120 Ų12056.9 Ų56.952%0.52230%0.296SS..Hα-helixtrans-58.7-35.7175.4-79.5177.9179.6171.90111.8K9 E10 P17 E21K9-K13 PolarHBondContact O-N 2.9Å; E10-K13 PolarHBondContact O-N 3.31Å; K13-P17 WeakPolarHBondContact O-CA 3.33Å; K13-E21 VanDerWaalsContact CE-OE1 3.27Å; K13-E21 WeakPolarHBondContact CE-OE1 3.46Å; K13-E21 IonicContact NZ-OE1 3.1Å; K13-E21 PolarHBondContact NZ-OE1 2.65Å
14Y67.8Low68.7Low180 Ų18053.9 Ų53.971%0.70628%0.278SS*.Hα-helixtrans-69.4-46.9176.2-177.2-95.6000112.6E10 S11 L12E10-Y14 PolarHBondContact O-N 2.9Å; S11-Y14 PolarHBondContact O-N 2.95Å; L12-Y14 PolarHBondContact O-N 3.14Å
15H68Low69.1Low30 Ų3058.5 Ų58.514%0.13930%0.297CS..Hα-helixtrans-85.5-26.4-174-69.6-63.2000114.2S11 L12 Q51 F88 I91S11-H15 PolarHBondContact O-CD2 3.42Å; S11-H15 PolarHBondContact O-N 3.19Å; S11-H15 VanDerWaalsContact O-N 3.16Å; L12-H15 PolarHBondContact O-N 2.87Å; H15-Q51 PolarHBondContact NE2-NE2 3.46Å; H15-F88 AromaticContact CD2-CE1 3.64Å; H15-F88 AromaticContact CD2-CZ 3.94Å; H15-F88 AromaticContact NE2-CE1 3.96Å; H15-I91 HydrophobicContact CB-CD1 3.89Å
16L71.3Confident69.2Low6 Ų660.3 Ų60.33%0.03131%0.307CS..  trans-138.366-175-63.9167.9000110.4L12 G18 L19 T87 I91 I134 R138L12-L16 HydrophobicContact CD2-CD1 4.02Å; L12-L16 CarbonylContact O-C 3.51Å; L12-L16 WeakPolarHBondContact O-CA 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 PolarHBondContact O-N 2.87Å; L16-G18 PolarHBondContact O-N 2.99Å; L16-L19 HydrophobicContact CB-CB 4.02Å; L16-L19 HydrophobicContact CD1-CD2 4.24Å; L16-L19 WeakPolarHBondContact O-CB 3.22Å; L16-L19 PolarHBondContact O-N 3.26Å; L16-T87 HydrophobicContact CD1-CG2 4.34Å; L16-I91 HydrophobicContact CD1-CG2 3.85Å; L16-I91 HydrophobicContact CD2-CG2 3.92Å; L16-I91 HydrophobicContact CG-CG2 4.12Å; L16-I134 HydrophobicContact CD1-CD1 4.16Å; L16-I134 HydrophobicContact CD1-CG1 3.81Å; L16-I134 HydrophobicContact CD1-CG2 4.36Å; L16-I134 HydrophobicContact CD2-CG2 4.05Å; L16-R138 HydrophobicContact CD2-CG 4.22Å
17P61.9Low69.2Low107 Ų10755.2 Ų55.270%0.69528%0.283SS*.THydrogen-bonded Turntrans-61.4-19.9-174.524-34.4000114.2K13K13-P17 WeakPolarHBondContact O-CA 3.33Å
18G67.5Low69.3Low41 Ų4155.7 Ų55.742%0.42328%0.283SS..THydrogen-bonded Turntrans-90.62.217700000115.3L16L16-G18 PolarHBondContact O-N 2.99Å
19L72.1Confident69Low29 Ų2964 Ų6415%0.15232%0.319CS..  trans-75.2130.8-177.8-167.173.3000111.2L16 E21 L24 L130 E133 I134L16-L19 HydrophobicContact CB-CB 4.02Å; L16-L19 HydrophobicContact CD1-CD2 4.24Å; L16-L19 WeakPolarHBondContact O-CB 3.22Å; L16-L19 PolarHBondContact O-N 3.26Å; L19-E21 PolarHBondContact O-N 3.22Å; L19-L24 HydrophobicContact CD2-CD1 3.81Å; L19-L130 HydrophobicContact CD1-CD1 4.06Å; L19-L130 HydrophobicContact CD2-CD1 4.23Å; L19-L130 HydrophobicContact CG-CD1 4.48Å; L19-E133 HydrophobicContact CD1-CB 4.04Å; L19-I134 HydrophobicContact CD1-CG1 3.84Å
20N71Confident68.4Low86 Ų8665.6 Ų65.646%0.4635%0.347SS..  trans-74.3124.5179.3-173.6-14.9000111.3D22 S23N20-D22 PolarHBondContact O-N 3.24Å; N20-D22 PolarHBondContact OD1-N 3.28Å; N20-S23 PolarHBondContact O-N 2.94Å
21E69.5Low68.2Low81 Ų8161.4 Ų61.438%0.37933%0.328SS..Hα-helixtrans-56.7-31.6178.2-99.6-171.2-171.500113.3K13 L19 S23 L24 K25K13-E21 VanDerWaalsContact CE-OE1 3.27Å; K13-E21 WeakPolarHBondContact CE-OE1 3.46Å; K13-E21 IonicContact NZ-OE1 3.1Å; K13-E21 PolarHBondContact NZ-OE1 2.65Å; L19-E21 PolarHBondContact O-N 3.22Å; E21-S23 VanDerWaalsContact C-N 3.3Å; E21-S23 PolarHBondContact O-N 2.88Å; E21-L24 WeakPolarHBondContact O-CB 3.37Å; E21-L24 PolarHBondContact O-N 3.36Å; E21-K25 PolarHBondContact O-N 3.28Å
22D70.2Confident67.2Low93 Ų9364.2 Ų64.250%0.49735%0.352SS..Hα-helixtrans-69.6-27.9-177.9-74.7-23.7000113.1N20 K25 L26N20-D22 PolarHBondContact O-N 3.24Å; N20-D22 PolarHBondContact OD1-N 3.28Å; D22-K25 PolarHBondContact O-N 3.08Å; D22-K25 IonicContact OD1-NZ 2.71Å; D22-K25 PolarHBondContact OD1-NZ 3.24Å; D22-K25 VanDerWaalsContact OD1-NZ 3.1Å; D22-L26 PolarHBondContact O-N 3.35Å
23S67Low66.2Low3 Ų366.2 Ų66.22%0.02137%0.374CS..Hα-helixtrans-78.1-30.2175.6-73.20000112.4N20 E21 L26 A27 K129 E133N20-S23 PolarHBondContact O-N 2.94Å; E21-S23 VanDerWaalsContact C-N 3.3Å; E21-S23 PolarHBondContact O-N 2.88Å; S23-L26 PolarHBondContact O-N 2.96Å; S23-A27 PolarHBondContact O-N 2.77Å; S23-K129 PolarHBondContact OG-NZ 3.02Å; S23-E133 VanDerWaalsContact CB-CD 3.48Å; S23-E133 WeakPolarHBondContact CB-OE1 3.4Å; S23-E133 WeakPolarHBondContact CB-OE2 3.44Å; S23-E133 PolarHBondContact OG-OE1 3.3Å; S23-E133 PolarHBondContact OG-OE2 3.09Å
24L69.2Low65.4Low6 Ų669.6 Ų69.63%0.03139%0.391CS..Hα-helixtrans-62.5-47.5166.4-139.888.7000110.6F8 K9 L12 L19 E21 L26 A27 L28 L130F8-L24 HydrophobicContact CD1-CD2 4.24Å; F8-L24 HydrophobicContact CE1-CD2 4.18Å; K9-L24 HydrophobicContact CG-CD2 3.64Å; L12-L24 HydrophobicContact CD1-CD1 3.34Å; L12-L24 HydrophobicContact CD1-CD2 3.75Å; L12-L24 HydrophobicContact CD1-CG 4.17Å; L19-L24 HydrophobicContact CD2-CD1 3.81Å; E21-L24 WeakPolarHBondContact O-CB 3.37Å; E21-L24 PolarHBondContact O-N 3.36Å; L24-L26 VanDerWaalsContact C-N 3.25Å; L24-L26 PolarHBondContact O-N 3.37Å; L24-A27 PolarHBondContact O-N 2.83Å; L24-A27 VanDerWaalsContact O-N 3.09Å; L24-L28 HydrophobicContact CD2-CD1 4.24Å; L24-L28 HydrophobicContact CG-CD1 4.41Å; L24-L28 VanDerWaalsContact O-CD1 3.32Å; L24-L28 WeakPolarHBondContact O-CD1 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 2.79Å; L24-L130 HydrophobicContact CD1-CD1 4.22Å; L24-L130 HydrophobicContact CD1-CD2 4.48Å
25K69.9Low64.9Low105 Ų10563 Ų6346%0.45737%0.368SS..Hα-helixtrans-57.6-39175.7-70.8176.3-166.4153.90112.1E21 D22 L28 K29E21-K25 PolarHBondContact O-N 3.28Å; D22-K25 PolarHBondContact O-N 3.08Å; D22-K25 IonicContact OD1-NZ 2.71Å; D22-K25 PolarHBondContact OD1-NZ 3.24Å; D22-K25 VanDerWaalsContact OD1-NZ 3.1Å; K25-L28 PolarHBondContact O-N 3.05Å; K25-K29 PolarHBondContact O-N 3.27Å; K25-K29 VanDerWaalsContact O-N 3.1Å
26L70.2Confident64.8Low72 Ų7265.1 Ų65.138%0.37738%0.381SS..Hα-helixtrans-66.1-41.3175.8-171.370.7000111.8D22 S23 L24 L28 K29 K129D22-L26 PolarHBondContact O-N 3.35Å; S23-L26 PolarHBondContact O-N 2.96Å; L24-L26 VanDerWaalsContact C-N 3.25Å; L24-L26 PolarHBondContact O-N 3.37Å; L26-L28 PolarHBondContact O-N 3.22Å; L26-K29 HydrophobicContact CD1-CD 4.18Å; L26-K29 WeakPolarHBondContact O-CB 3.06Å; L26-K29 PolarHBondContact O-N 3.35Å; L26-K29 VanDerWaalsContact O-N 3.1Å; L26-K129 HydrophobicContact CD2-CD 3.6Å
27A67.6Low64.6Low3 Ų370.9 Ų70.93%0.02541%0.411CS..Hα-helixtrans-67.5-27.317700000113.3S23 L24 K29 L83 L130S23-A27 PolarHBondContact O-N 2.77Å; L24-A27 PolarHBondContact O-N 2.83Å; L24-A27 VanDerWaalsContact O-N 3.09Å; A27-K29 VanDerWaalsContact C-N 3.32Å; A27-L83 HydrophobicContact CB-CD1 3.86Å; A27-L83 HydrophobicContact CB-CD2 3.95Å; A27-L130 HydrophobicContact CB-CD2 4.39Å
28L67.8Low65.2Low31 Ų3170.9 Ų70.916%0.16240%0.402CS..THydrogen-bonded Turntrans-81.8-12173.6-62.8161.4000112.9L5 L24 K25 L26 G30 I31 L80 L83L5-L28 HydrophobicContact CD1-CD1 3.34Å; L5-L28 HydrophobicContact CD1-CD2 3.91Å; L5-L28 HydrophobicContact CD1-CG 4.29Å; L5-L28 HydrophobicContact CD2-CD1 4.17Å; L5-L28 HydrophobicContact CG-CD1 4.39Å; L24-L28 HydrophobicContact CD2-CD1 4.24Å; L24-L28 HydrophobicContact CG-CD1 4.41Å; L24-L28 VanDerWaalsContact O-CD1 3.32Å; L24-L28 WeakPolarHBondContact O-CD1 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 2.79Å; K25-L28 PolarHBondContact O-N 3.05Å; L26-L28 PolarHBondContact O-N 3.22Å; L28-G30 PolarHBondContact O-N 2.9Å; L28-G30 VanDerWaalsContact O-N 3.11Å; L28-I31 HydrophobicContact CB-CD1 4.38Å; L28-I31 HydrophobicContact CD2-CD1 3.68Å; L28-I31 PolarHBondContact O-N 3.28Å; L28-L80 HydrophobicContact CD2-CD1 3.5Å; L28-L80 VanDerWaalsContact CD2-CD1 3.5Å; L28-L83 HydrophobicContact CD2-CD2 3.6Å; L28-L83 HydrophobicContact CG-CD2 3.94Å
29K65.7Low65.7Low175 Ų17569.4 Ų69.476%0.76139%0.385SS*.THydrogen-bonded Turntrans-73.1104.5-175.9-145.6178.8-173.1-177.40109.2K25 L26 A27K25-K29 PolarHBondContact O-N 3.27Å; K25-K29 VanDerWaalsContact O-N 3.1Å; L26-K29 HydrophobicContact CD1-CD 4.18Å; L26-K29 WeakPolarHBondContact O-CB 3.06Å; L26-K29 PolarHBondContact O-N 3.35Å; L26-K29 VanDerWaalsContact O-N 3.1Å; A27-K29 VanDerWaalsContact C-N 3.32Å
30G58.7Low65.7Low73 Ų7369.8 Ų69.875%0.75338%0.384SS*.THydrogen-bonded Turntrans114.90.2-178.600000114.9L28 A32L28-G30 PolarHBondContact O-N 2.9Å; L28-G30 VanDerWaalsContact O-N 3.11Å; G30-A32 PolarHBondContact O-N 3.03Å
31I63.8Low66.1Low23 Ų2369.3 Ų69.312%0.11838%0.381CS..  trans-73.399.4169.6-61.3171.1000107.8L28 F78 L80L28-I31 HydrophobicContact CB-CD1 4.38Å; L28-I31 HydrophobicContact CD2-CD1 3.68Å; L28-I31 PolarHBondContact O-N 3.28Å; I31-F78 HydrophobicContact CD1-CE1 4.34Å; I31-F78 HydrophobicContact CG1-CD1 4.17Å; I31-F78 HydrophobicContact CG1-CE1 4.34Å; I31-L80 HydrophobicContact CD1-CB 4.44Å
32A49.9Very low66.9Low78 Ų7867.3 Ų67.365%0.64537%0.371SS*.  trans-100.394.8176.900000108.7G30G30-A32 PolarHBondContact O-N 3.03Å
33G52.1Low67.4Low48 Ų4863.1 Ų63.150%0.49535%0.348SS..SBendtrans-170.9141176.200000111.2D35G33-D35 PolarHBondContact O-N 2.81Å
34E53.1Low67.8Low191 Ų19168.1 Ų68.189%0.89337%0.367SS*.  trans-66.7128.1165.1-71.6-173.8158.900108D36E34-D36 PolarHBondContact O-N 3.45Å
35D56.6Low68.6Low42 Ų4269 Ų6923%0.22537%0.37CS..  trans-64.2104.9174.7-76.5-16.4000108.8M1 G33M1-D35 WeakPolarHBondContact CA-OD2 3.45Å; M1-D35 PolarHBondContact N-OD2 2.91Å; G33-D35 PolarHBondContact O-N 2.81Å
36D66.1Low69.4Low74 Ų7464 Ų6440%0.39635%0.348SS..  trans-85.3171.6169.965.64.1000111.4E34 Q38 T39 Y40E34-D36 PolarHBondContact O-N 3.45Å; D36-Q38 PolarHBondContact O-N 3.41Å; D36-Q38 WeakPolarHBondContact OD1-CB 3.4Å; D36-Q38 PolarHBondContact OD1-N 3.39Å; D36-T39 PolarHBondContact O-N 2.93Å; D36-T39 VanDerWaalsContact O-N 3.1Å; D36-T39 WeakPolarHBondContact OD1-CB 3.41Å; D36-T39 PolarHBondContact OD1-N 2.8Å; D36-T39 PolarHBondContact OD1-OG1 3.37Å; D36-Y40 PolarHBondContact O-N 2.99Å
37L67.6Low69.9Low128 Ų12861.7 Ų61.767%0.6734%0.338SS*.Hα-helixtrans-58.3-27.5176.1-174.263.8000112.1N41L37-N41 WeakPolarHBondContact O-CB 3.43Å; L37-N41 PolarHBondContact O-N 3.29Å; L37-N41 PolarHBondContact O-ND2 3.11Å; L37-N41 VanDerWaalsContact O-ND2 3.1Å
38Q73.8Confident70.3Confident107 Ų10764.3 Ų64.350%0.535%0.353SS..Hα-helixtrans-66.5-45.3174.9-101.5179.53.600111.5D36 Y40 N41 W42D36-Q38 PolarHBondContact O-N 3.41Å; D36-Q38 WeakPolarHBondContact OD1-CB 3.4Å; D36-Q38 PolarHBondContact OD1-N 3.39Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 3.5Å; Q38-N41 PolarHBondContact O-N 3.25Å; Q38-W42 PolarHBondContact O-N 3.4Å
39T78.1Confident71Confident10 Ų1067.4 Ų67.46%0.06136%0.363CS..Hα-helixtrans-59.9-47.1179.1-59.20000111D36 N41 W42 V43 N74 L80 S81D36-T39 PolarHBondContact O-N 2.93Å; D36-T39 VanDerWaalsContact O-N 3.1Å; D36-T39 WeakPolarHBondContact OD1-CB 3.41Å; D36-T39 PolarHBondContact OD1-N 2.8Å; D36-T39 PolarHBondContact OD1-OG1 3.37Å; T39-N41 PolarHBondContact O-N 3.23Å; T39-W42 PolarHBondContact O-N 3.35Å; T39-V43 WeakPolarHBondContact O-CG2 3.41Å; T39-V43 PolarHBondContact O-N 3.41Å; T39-N74 WeakPolarHBondContact CA-ND2 3.18Å; T39-N74 PolarHBondContact OG1-ND2 3.25Å; T39-L80 HydrophobicContact CG2-CB 4.03Å; T39-S81 WeakPolarHBondContact CA-OG 3.21Å; T39-S81 WeakPolarHBondContact CG2-OG 3.42Å; T39-S81 PolarHBondContact O-OG 2.87Å; T39-S81 VanDerWaalsContact O-OG 3.11Å
40Y71.8Confident71.9Confident37 Ų3759.1 Ų59.115%0.14533%0.327CS..Hα-helixtrans-53.4-51.9173-175.1-87.3000112.3C4 D36 Q38 W42 V43 R44 L686 A687 T688C4-Y40 VanDerWaalsContact SG-CD2 3.52Å; D36-Y40 PolarHBondContact O-N 2.99Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 3.5Å; Y40-W42 PolarHBondContact O-N 3.33Å; Y40-V43 PolarHBondContact O-N 3.16Å; Y40-R44 HydrophobicContact CE1-CB 4.43Å; Y40-R44 WeakPolarHBondContact O-CB 3.19Å; Y40-R44 PolarHBondContact O-N 3.46Å; Y40-L686 PolarHBondContact OH-O 3.05Å; Y40-A687 WeakPolarHBondContact CE1-O 3.46Å; Y40-A687 VanDerWaalsContact CZ-O 3.26Å; Y40-A687 WeakPolarHBondContact OH-CA 3.3Å; Y40-A687 PolarHBondContact OH-O 3.41Å; Y40-T688 PolarHBondContact OH-N 3.28Å
41N79Confident72.7Confident75 Ų7557.3 Ų57.340%0.40130%0.299SS..Hα-helixtrans-62.5-40.1-176.9-74.4-23.9000112.8L37 Q38 T39 F45L37-N41 WeakPolarHBondContact O-CB 3.43Å; L37-N41 PolarHBondContact O-N 3.29Å; L37-N41 PolarHBondContact O-ND2 3.11Å; L37-N41 VanDerWaalsContact O-ND2 3.1Å; Q38-N41 PolarHBondContact O-N 3.25Å; T39-N41 PolarHBondContact O-N 3.23Å; N41-F45 VanDerWaalsContact O-CB 3.23Å; N41-F45 WeakPolarHBondContact O-CB 3.25Å; N41-F45 PolarHBondContact O-N 2.81Å
42W86.6Confident72.9Confident40 Ų4058.6 Ų58.615%0.15231%0.309CS..Hα-helixtrans-74.9-35.7179-79.4113.1000113.8Q38 T39 Y40 R44 F45 A46 I63 A66 I73 N74 I85Q38-W42 PolarHBondContact O-N 3.4Å; T39-W42 PolarHBondContact O-N 3.35Å; Y40-W42 PolarHBondContact O-N 3.33Å; W42-R44 VanDerWaalsContact C-N 3.33Å; W42-F45 HydrophobicContact CE3-CB 4.08Å; W42-F45 AromaticContact CE3-CD1 3.83Å; W42-F45 HydrophobicContact CE3-CD1 3.83Å; W42-F45 HydrophobicContact CE3-CE1 4.46Å; W42-F45 AromaticContact CE3-CG 3.94Å; W42-F45 HydrophobicContact CE3-CG 3.94Å; W42-F45 AromaticContact CZ3-CD1 3.78Å; W42-F45 HydrophobicContact CZ3-CD1 3.78Å; W42-F45 HydrophobicContact CZ3-CD2 4.41Å; W42-F45 AromaticContact CZ3-CE1 3.97Å; W42-F45 HydrophobicContact CZ3-CE1 3.97Å; W42-F45 HydrophobicContact CZ3-CG 4.03Å; W42-F45 HydrophobicContact CZ3-CZ 4.33Å; W42-F45 WeakPolarHBondContact O-CB 3.45Å; W42-F45 PolarHBondContact O-N 2.85Å; W42-A46 WeakPolarHBondContact O-CB 3.28Å; W42-A46 PolarHBondContact O-N 3.3Å; W42-I63 HydrophobicContact CZ3-CG1 3.9Å; W42-A66 HydrophobicContact CH2-CB 3.53Å; W42-A66 HydrophobicContact CZ2-CB 3.37Å; W42-I73 HydrophobicContact CD2-CD1 4.23Å; W42-I73 HydrophobicContact CD2-CG1 3.54Å; W42-I73 VanDerWaalsContact CE2-CG1 3.41Å; W42-I73 HydrophobicContact CE3-CD1 4.29Å; W42-I73 HydrophobicContact CE3-CG1 4.01Å; W42-I73 HydrophobicContact CG-CG1 3.92Å; W42-I73 HydrophobicContact CG-CG2 4.38Å; W42-I73 HydrophobicContact CH2-CD1 3.89Å; W42-I73 HydrophobicContact CH2-CG1 4.24Å; W42-I73 HydrophobicContact CZ2-CD1 3.81Å; W42-I73 HydrophobicContact CZ2-CG1 3.8Å; W42-I73 HydrophobicContact CZ3-CD1 4.13Å; W42-I73 HydrophobicContact CZ3-CG1 4.33Å; W42-N74 PolarHBondContact NE1-OD1 3.33Å; W42-I85 HydrophobicContact CB-CD1 4.43Å; W42-I85 HydrophobicContact CD2-CD1 4.15Å; W42-I85 HydrophobicContact CE3-CD1 3.67Å; W42-I85 HydrophobicContact CZ3-CD1 4.29Å
43V81.8Confident73.6Confident4 Ų461.8 Ų61.82%0.02431%0.31CS..Hα-helixtrans-61.7-46.7172172.50000109.5F8 T39 Y40 F45 A46 T47 L80 A84F8-V43 HydrophobicContact CB-CG1 3.97Å; T39-V43 WeakPolarHBondContact O-CG2 3.41Å; T39-V43 PolarHBondContact O-N 3.41Å; Y40-V43 PolarHBondContact O-N 3.16Å; V43-F45 VanDerWaalsContact C-N 3.34Å; V43-F45 PolarHBondContact O-N 3.27Å; V43-A46 PolarHBondContact O-N 3.42Å; V43-T47 HydrophobicContact CG1-CG2 4.47Å; V43-T47 WeakPolarHBondContact O-CG2 3.44Å; V43-T47 PolarHBondContact O-N 2.86Å; V43-T47 PolarHBondContact O-OG1 3.37Å; V43-T47 VanDerWaalsContact O-OG1 3.13Å; V43-L80 HydrophobicContact CG2-CD2 4.05Å; V43-L80 HydrophobicContact CG2-CG 3.81Å; V43-A84 HydrophobicContact CB-CB 4.36Å; V43-A84 HydrophobicContact CG1-CB 4.35Å; V43-A84 HydrophobicContact CG2-CB 3.96Å
44R75.3Confident74.7Confident108 Ų10861.3 Ų61.341%0.40830%0.299SS..Hα-helixtrans-60.8-42.7174.1-177.9179.5172-160.4-0.8111.9Y40 W42 A46 T47 T48Y40-R44 HydrophobicContact CE1-CB 4.43Å; Y40-R44 WeakPolarHBondContact O-CB 3.19Å; Y40-R44 PolarHBondContact O-N 3.46Å; W42-R44 VanDerWaalsContact C-N 3.33Å; R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 2.63Å; R44-T47 WeakPolarHBondContact CA-OG1 3.23Å; R44-T47 PolarHBondContact O-N 2.85Å; R44-T47 PolarHBondContact O-OG1 3.31Å; R44-T48 WeakPolarHBondContact O-CB 3.43Å; R44-T48 PolarHBondContact O-N 2.81Å; R44-T48 PolarHBondContact O-OG1 2.98Å
45F85.8Confident75.6Confident25 Ų2557.3 Ų57.311%0.1128%0.284CS..Hα-helixtrans-58.3-46.7177.1179.5-82.9000110.8N41 W42 V43 T48 Y49 W58 A59 E62 I63N41-F45 VanDerWaalsContact O-CB 3.23Å; N41-F45 WeakPolarHBondContact O-CB 3.25Å; N41-F45 PolarHBondContact O-N 2.81Å; W42-F45 HydrophobicContact CE3-CB 4.08Å; W42-F45 AromaticContact CE3-CD1 3.83Å; W42-F45 HydrophobicContact CE3-CD1 3.83Å; W42-F45 HydrophobicContact CE3-CE1 4.46Å; W42-F45 AromaticContact CE3-CG 3.94Å; W42-F45 HydrophobicContact CE3-CG 3.94Å; W42-F45 AromaticContact CZ3-CD1 3.78Å; W42-F45 HydrophobicContact CZ3-CD1 3.78Å; W42-F45 HydrophobicContact CZ3-CD2 4.41Å; W42-F45 AromaticContact CZ3-CE1 3.97Å; W42-F45 HydrophobicContact CZ3-CE1 3.97Å; W42-F45 HydrophobicContact CZ3-CG 4.03Å; W42-F45 HydrophobicContact CZ3-CZ 4.33Å; W42-F45 WeakPolarHBondContact O-CB 3.45Å; W42-F45 PolarHBondContact O-N 2.85Å; V43-F45 VanDerWaalsContact C-N 3.34Å; V43-F45 PolarHBondContact O-N 3.27Å; F45-T48 PolarHBondContact O-N 3.44Å; F45-Y49 HydrophobicContact CB-CD2 4.37Å; F45-Y49 AromaticContact CD2-CD2 3.56Å; F45-Y49 HydrophobicContact CD2-CD2 3.56Å; F45-Y49 HydrophobicContact CD2-CE2 4.1Å; F45-Y49 AromaticContact CE2-CD2 3.96Å; F45-Y49 HydrophobicContact CE2-CD2 3.96Å; F45-Y49 AromaticContact CG-CD2 3.97Å; F45-Y49 HydrophobicContact CG-CD2 3.97Å; F45-Y49 WeakPolarHBondContact O-CB 3.19Å; F45-Y49 WeakPolarHBondContact O-CD2 3.46Å; F45-Y49 PolarHBondContact O-N 3.06Å; F45-W58 AromaticContact CE2-CH2 3.77Å; F45-W58 HydrophobicContact CE2-CH2 3.77Å; F45-W58 AromaticContact CE2-CZ3 3.79Å; F45-W58 HydrophobicContact CE2-CZ3 3.79Å; F45-W58 HydrophobicContact CZ-CZ3 4.22Å; F45-A59 HydrophobicContact CE1-CB 4.19Å; F45-A59 HydrophobicContact CZ-CB 3.96Å; F45-A59 WeakPolarHBondContact CZ-O 3.41Å; F45-E62 HydrophobicContact CE2-CB 4.14Å; F45-E62 HydrophobicContact CZ-CB 3.95Å; F45-I63 HydrophobicContact CD1-CG1 4.39Å; F45-I63 HydrophobicContact CE1-CD1 3.83Å; F45-I63 HydrophobicContact CE1-CG1 3.6Å; F45-I63 HydrophobicContact CZ-CG1 4.22Å
46A86.5Confident76.8Confident0 Ų055.7 Ų55.70%028%0.275CS..Hα-helixtrans-65-49.1178.700000112.1W42 V43 R44 T48 L50 A84 I85 F88W42-A46 WeakPolarHBondContact O-CB 3.28Å; W42-A46 PolarHBondContact O-N 3.3Å; V43-A46 PolarHBondContact O-N 3.42Å; R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 2.63Å; A46-T48 PolarHBondContact O-N 3.14Å; A46-L50 HydrophobicContact CB-CD1 4.05Å; A46-L50 WeakPolarHBondContact O-CB 3.36Å; A46-L50 PolarHBondContact O-N 3.47Å; A46-A84 HydrophobicContact CB-CB 4.13Å; A46-I85 HydrophobicContact CB-CG1 4.06Å; A46-F88 HydrophobicContact CB-CB 4.43Å; A46-F88 HydrophobicContact CB-CD2 4.16Å; A46-F88 HydrophobicContact CB-CG 4.49Å
47T79.9Confident77.6Confident24 Ų2455.4 Ų55.415%0.14728%0.276CS..Hα-helixtrans-68-21.2-178.8580000113F8 V43 R44 Q51 F88F8-T47 HydrophobicContact CD2-CG2 4.41Å; V43-T47 HydrophobicContact CG1-CG2 4.47Å; V43-T47 WeakPolarHBondContact O-CG2 3.44Å; V43-T47 PolarHBondContact O-N 2.86Å; V43-T47 PolarHBondContact O-OG1 3.37Å; V43-T47 VanDerWaalsContact O-OG1 3.13Å; R44-T47 WeakPolarHBondContact CA-OG1 3.23Å; R44-T47 PolarHBondContact O-N 2.85Å; R44-T47 PolarHBondContact O-OG1 3.31Å; T47-Q51 VanDerWaalsContact O-CD 3.29Å; T47-Q51 VanDerWaalsContact O-CG 3.25Å; T47-Q51 WeakPolarHBondContact O-CG 3.43Å; T47-Q51 PolarHBondContact O-NE2 3.09Å; T47-F88 HydrophobicContact CG2-CD2 4.44Å; T47-F88 HydrophobicContact CG2-CE2 3.6Å; T47-F88 HydrophobicContact CG2-CZ 3.87Å
48T75.9Confident78.3Confident57 Ų5754.9 Ų54.935%0.3527%0.265SS..Hα-helixtrans-97.5-49.1-178.9-50.50000112.6R44 F45 A46 C54R44-T48 WeakPolarHBondContact O-CB 3.43Å; R44-T48 PolarHBondContact O-N 2.81Å; R44-T48 PolarHBondContact O-OG1 2.98Å; F45-T48 PolarHBondContact O-N 3.44Å; A46-T48 PolarHBondContact O-N 3.14Å; T48-C54 PolarHBondContact O-SG 3.09Å
49Y82.7Confident78.9Confident97 Ų9749.8 Ų49.838%0.3824%0.241SC..Hα-helixtrans-105.8-16.4-165.9-57.4-67.4000114.6F45 C54 W58F45-Y49 HydrophobicContact CB-CD2 4.37Å; F45-Y49 AromaticContact CD2-CD2 3.56Å; F45-Y49 HydrophobicContact CD2-CD2 3.56Å; F45-Y49 HydrophobicContact CD2-CE2 4.1Å; F45-Y49 AromaticContact CE2-CD2 3.96Å; F45-Y49 HydrophobicContact CE2-CD2 3.96Å; F45-Y49 AromaticContact CG-CD2 3.97Å; F45-Y49 HydrophobicContact CG-CD2 3.97Å; F45-Y49 WeakPolarHBondContact O-CB 3.19Å; F45-Y49 WeakPolarHBondContact O-CD2 3.46Å; F45-Y49 PolarHBondContact O-N 3.06Å; Y49-C54 VanDerWaalsContact O-CB 3.27Å; Y49-C54 WeakPolarHBondContact O-CB 3.48Å; Y49-W58 HydrophobicContact CD1-CH2 4.45Å; Y49-W58 AromaticContact CD1-CZ3 3.72Å; Y49-W58 HydrophobicContact CD1-CZ3 3.72Å; Y49-W58 HydrophobicContact CD2-CH2 4.3Å; Y49-W58 AromaticContact CD2-CZ3 3.95Å; Y49-W58 HydrophobicContact CD2-CZ3 3.95Å; Y49-W58 HydrophobicContact CE1-CH2 4.45Å; Y49-W58 HydrophobicContact CE1-CZ3 4.12Å; Y49-W58 HydrophobicContact CE2-CH2 4.32Å; Y49-W58 HydrophobicContact CE2-CZ3 4.35Å; Y49-W58 HydrophobicContact CG-CH2 4.38Å; Y49-W58 AromaticContact CG-CZ3 3.63Å; Y49-W58 HydrophobicContact CG-CZ3 3.63Å
50L84.5Confident79.3Confident0 Ų049.3 Ų49.30%024%0.238CC..SBendtrans-94.66.5175.8-69.1176.6000113.3A46 F56 A59 I63 I85 F88 L89 N92A46-L50 HydrophobicContact CB-CD1 4.05Å; A46-L50 WeakPolarHBondContact O-CB 3.36Å; A46-L50 PolarHBondContact O-N 3.47Å; L50-F56 HydrophobicContact CD2-CD2 4.08Å; L50-F56 HydrophobicContact CD2-CE2 3.92Å; L50-A59 HydrophobicContact CD2-CB 3.96Å; L50-I63 HydrophobicContact CD1-CD1 3.83Å; L50-I63 HydrophobicContact CD2-CD1 3.77Å; L50-I63 HydrophobicContact CG-CD1 4.16Å; L50-I85 HydrophobicContact CD1-CB 4.45Å; L50-I85 HydrophobicContact CD1-CG2 4.11Å; L50-F88 HydrophobicContact CB-CB 3.6Å; L50-F88 HydrophobicContact CB-CG 4.45Å; L50-F88 HydrophobicContact CD1-CB 4.05Å; L50-L89 HydrophobicContact CD1-CD2 4.4Å; L50-L89 HydrophobicContact CD1-CG 4.22Å; L50-L89 HydrophobicContact CD2-CD2 4.03Å; L50-N92 PolarHBondContact O-ND2 3.29Å
51Q76.9Confident80Confident36 Ų3652.3 Ų52.317%0.16825%0.252CS..SBendtrans-62.2149.2175.8-61.7-165.8-11.400111H15 T47 Q53 C54 F88 N92H15-Q51 PolarHBondContact NE2-NE2 3.46Å; T47-Q51 VanDerWaalsContact O-CD 3.29Å; T47-Q51 VanDerWaalsContact O-CG 3.25Å; T47-Q51 WeakPolarHBondContact O-CG 3.43Å; T47-Q51 PolarHBondContact O-NE2 3.09Å; Q51-Q53 HydrophobicContact CB-CG 4.21Å; Q51-Q53 PolarHBondContact O-N 3.05Å; Q51-C54 PolarHBondContact O-N 2.69Å; Q51-F88 HydrophobicContact CG-CD1 4.45Å; Q51-F88 HydrophobicContact CG-CE1 4.21Å; Q51-N92 PolarHBondContact O-ND2 3.03Å
52P66.7Low80.4Confident49 Ų4951.6 Ų51.632%0.31825%0.246SC..THydrogen-bonded Turntrans-56.2-15.2-178.8-27.935.5000116.2P93P52-P93 HydrophobicContact CB-CG 4.34Å
53Q65.8Low80.6Confident145 Ų14549.7 Ų49.768%0.67824%0.239SC*.THydrogen-bonded Turntrans-100.3-4.4-178.760.1-137.817.100114.2Q51Q51-Q53 HydrophobicContact CB-CG 4.21Å; Q51-Q53 PolarHBondContact O-N 3.05Å
54C73.5Confident81Confident38 Ų3850.5 Ų50.526%0.25724%0.243SC..SBendtrans-95.7160-178.3-64.10000111.7T48 Y49 Q51 F56T48-C54 PolarHBondContact O-SG 3.09Å; Y49-C54 VanDerWaalsContact O-CB 3.27Å; Y49-C54 WeakPolarHBondContact O-CB 3.48Å; Q51-C54 PolarHBondContact O-N 2.69Å; C54-F56 PolarHBondContact O-N 3.18Å
55D72.2Confident81.5Confident108 Ų10851.5 Ų51.558%0.57825%0.25SS*.  trans-68.598.7174-178.52.9000110.9V57D55-V57 PolarHBondContact O-N 2.86Å; D55-V57 WeakPolarHBondContact OD1-CB 3.24Å; D55-V57 PolarHBondContact OD1-N 3.09Å
56F82.5Confident81.6Confident7 Ų751.8 Ų51.83%0.03126%0.258CS..Hα-helixtrans-61-30.2178.7-179.8-99.8000113.1L50 C54 W58 A59 G60 L89 D94 W95 L98 L114L50-F56 HydrophobicContact CD2-CD2 4.08Å; L50-F56 HydrophobicContact CD2-CE2 3.92Å; C54-F56 PolarHBondContact O-N 3.18Å; F56-W58 PolarHBondContact O-N 2.89Å; F56-A59 PolarHBondContact O-N 3.22Å; F56-G60 WeakPolarHBondContact O-CA 3.43Å; F56-G60 PolarHBondContact O-N 3.35Å; F56-L89 HydrophobicContact CE2-CD2 3.51Å; F56-L89 HydrophobicContact CZ-CD2 3.98Å; F56-D94 HydrophobicContact CB-CB 3.98Å; F56-D94 HydrophobicContact CD1-CB 4.44Å; F56-D94 HydrophobicContact CG-CB 4.21Å; F56-W95 HydrophobicContact CE1-CB 4.47Å; F56-W95 AromaticContact CE1-CE3 3.94Å; F56-W95 HydrophobicContact CE1-CE3 3.94Å; F56-W95 HydrophobicContact CE2-CB 3.9Å; F56-W95 HydrophobicContact CE2-CE3 4.43Å; F56-W95 HydrophobicContact CZ-CB 3.89Å; F56-W95 HydrophobicContact CZ-CD2 4.12Å; F56-W95 AromaticContact CZ-CE3 3.45Å; F56-W95 HydrophobicContact CZ-CE3 3.45Å; F56-W95 VanDerWaalsContact CZ-CE3 3.45Å; F56-W95 HydrophobicContact CZ-CG 4.34Å; F56-W95 HydrophobicContact CZ-CZ3 4.29Å; F56-L98 HydrophobicContact CE1-CD2 4.4Å; F56-L114 HydrophobicContact CZ-CD2 4.12Å
57V82Confident81.8Confident68 Ų6852.3 Ų52.341%0.41226%0.26SS..Hα-helixtrans-66.9-43.1-171.3177.90000111.1D55 K61 F111D55-V57 PolarHBondContact O-N 2.86Å; D55-V57 WeakPolarHBondContact OD1-CB 3.24Å; D55-V57 PolarHBondContact OD1-N 3.09Å; V57-K61 VanDerWaalsContact O-CG 3.27Å; V57-K61 WeakPolarHBondContact O-CG 3.44Å; V57-K61 PolarHBondContact O-N 2.94Å; V57-F111 HydrophobicContact CG1-CZ 4.4Å
58W82.5Confident82.1Confident118 Ų11854.9 Ų54.945%0.44728%0.276SS..Hα-helixtrans-66.8-50174.8173.682.9000111F45 Y49 F56 G60 K61 E62F45-W58 AromaticContact CE2-CH2 3.77Å; F45-W58 HydrophobicContact CE2-CH2 3.77Å; F45-W58 AromaticContact CE2-CZ3 3.79Å; F45-W58 HydrophobicContact CE2-CZ3 3.79Å; F45-W58 HydrophobicContact CZ-CZ3 4.22Å; Y49-W58 HydrophobicContact CD1-CH2 4.45Å; Y49-W58 AromaticContact CD1-CZ3 3.72Å; Y49-W58 HydrophobicContact CD1-CZ3 3.72Å; Y49-W58 HydrophobicContact CD2-CH2 4.3Å; Y49-W58 AromaticContact CD2-CZ3 3.95Å; Y49-W58 HydrophobicContact CD2-CZ3 3.95Å; Y49-W58 HydrophobicContact CE1-CH2 4.45Å; Y49-W58 HydrophobicContact CE1-CZ3 4.12Å; Y49-W58 HydrophobicContact CE2-CH2 4.32Å; Y49-W58 HydrophobicContact CE2-CZ3 4.35Å; Y49-W58 HydrophobicContact CG-CH2 4.38Å; Y49-W58 AromaticContact CG-CZ3 3.63Å; Y49-W58 HydrophobicContact CG-CZ3 3.63Å; F56-W58 PolarHBondContact O-N 2.89Å; W58-G60 VanDerWaalsContact C-N 3.34Å; W58-G60 PolarHBondContact O-N 3.07Å; W58-K61 WeakPolarHBondContact O-CB 3.37Å; W58-K61 PolarHBondContact O-N 3.17Å; W58-E62 HydrophobicContact CD2-CG 4.36Å; W58-E62 HydrophobicContact CZ2-CG 3.95Å; W58-E62 PolarHBondContact O-N 2.96Å; W58-E62 VanDerWaalsContact O-N 3.13Å
59A86.2Confident82.4Confident0 Ų059.5 Ų59.50%030%0.299CS..Hα-helixtrans-61.5-44.1-176.500000111.8F45 L50 F56 K61 E62 I63F45-A59 HydrophobicContact CE1-CB 4.19Å; F45-A59 HydrophobicContact CZ-CB 3.96Å; F45-A59 WeakPolarHBondContact CZ-O 3.41Å; L50-A59 HydrophobicContact CD2-CB 3.96Å; F56-A59 PolarHBondContact O-N 3.22Å; A59-K61 VanDerWaalsContact C-N 3.28Å; A59-K61 PolarHBondContact O-N 3.2Å; A59-E62 PolarHBondContact O-N 2.92Å; A59-I63 WeakPolarHBondContact O-CG1 3.31Å; A59-I63 PolarHBondContact O-N 2.88Å; A59-I63 VanDerWaalsContact O-N 3.14Å
60G88.4Confident82.3Confident0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-60.1-35.7175.200000112.8F56 W58 D64 F111F56-G60 WeakPolarHBondContact O-CA 3.43Å; F56-G60 PolarHBondContact O-N 3.35Å; W58-G60 VanDerWaalsContact C-N 3.34Å; W58-G60 PolarHBondContact O-N 3.07Å; G60-D64 VanDerWaalsContact O-CB 3.31Å; G60-D64 WeakPolarHBondContact O-CB 3.17Å; G60-D64 PolarHBondContact O-N 3.35Å; G60-F111 VanDerWaalsContact C-CE1 3.47Å
61K84.7Confident82.3Confident100 Ų10060.3 Ų60.344%0.43532%0.316SS..Hα-helixtrans-70.4-38.9179.4-81.8175.1-177.9174.90111.4V57 W58 A59 D64 K65 F111V57-K61 VanDerWaalsContact O-CG 3.27Å; V57-K61 WeakPolarHBondContact O-CG 3.44Å; V57-K61 PolarHBondContact O-N 2.94Å; W58-K61 WeakPolarHBondContact O-CB 3.37Å; W58-K61 PolarHBondContact O-N 3.17Å; A59-K61 VanDerWaalsContact C-N 3.28Å; A59-K61 PolarHBondContact O-N 3.2Å; K61-D64 PolarHBondContact O-N 3.27Å; K61-K65 WeakPolarHBondContact O-CB 3.21Å; K61-K65 VanDerWaalsContact O-CG 3.23Å; K61-K65 WeakPolarHBondContact O-CG 3.42Å; K61-K65 PolarHBondContact O-N 3.14Å; K61-F111 HydrophobicContact CB-CE1 4.4Å; K61-F111 HydrophobicContact CG-CE1 3.72Å; K61-F111 HydrophobicContact CG-CZ 4.12Å
62E87.8Confident82.8Confident60 Ų6060.2 Ų60.228%0.2831%0.314SS..Hα-helixtrans-68-38.5178-64.6-52.5119.800111.6F45 W58 A59 K65 A66F45-E62 HydrophobicContact CE2-CB 4.14Å; F45-E62 HydrophobicContact CZ-CB 3.95Å; W58-E62 HydrophobicContact CD2-CG 4.36Å; W58-E62 HydrophobicContact CZ2-CG 3.95Å; W58-E62 PolarHBondContact O-N 2.96Å; W58-E62 VanDerWaalsContact O-N 3.13Å; A59-E62 PolarHBondContact O-N 2.92Å; E62-K65 IonicContact OE1-NZ 3.87Å; E62-K65 PolarHBondContact OE1-NZ 3.38Å; E62-A66 WeakPolarHBondContact O-CB 3.47Å; E62-A66 PolarHBondContact O-N 2.89Å
63I90.9Very high83.8Confident0 Ų058.3 Ų58.30%030%0.301CS..Hα-helixtrans-66.6-46172.9-56.4160.3000110.5W42 F45 L50 A59 K65 A66 L67 I73 I85 L114W42-I63 HydrophobicContact CZ3-CG1 3.9Å; F45-I63 HydrophobicContact CD1-CG1 4.39Å; F45-I63 HydrophobicContact CE1-CD1 3.83Å; F45-I63 HydrophobicContact CE1-CG1 3.6Å; F45-I63 HydrophobicContact CZ-CG1 4.22Å; L50-I63 HydrophobicContact CD1-CD1 3.83Å; L50-I63 HydrophobicContact CD2-CD1 3.77Å; L50-I63 HydrophobicContact CG-CD1 4.16Å; A59-I63 WeakPolarHBondContact O-CG1 3.31Å; A59-I63 PolarHBondContact O-N 2.88Å; A59-I63 VanDerWaalsContact O-N 3.14Å; I63-K65 VanDerWaalsContact C-N 3.29Å; I63-K65 PolarHBondContact O-N 3.14Å; I63-A66 PolarHBondContact O-N 2.98Å; I63-A66 VanDerWaalsContact O-N 3.12Å; I63-L67 HydrophobicContact CG2-CD1 3.68Å; I63-L67 HydrophobicContact CG2-CG 4.27Å; I63-L67 WeakPolarHBondContact O-CD1 3.36Å; I63-L67 VanDerWaalsContact O-CG 3.27Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 3.01Å; I63-I73 HydrophobicContact CG2-CD1 3.95Å; I63-I85 HydrophobicContact CD1-CG2 4.07Å; I63-I85 HydrophobicContact CG2-CG2 4.31Å; I63-L114 HydrophobicContact CB-CD1 4.17Å; I63-L114 HydrophobicContact CG2-CD1 3.62Å
64D90.1Very high84.6Confident21 Ų2153.2 Ų53.211%0.11228%0.278CS..Hα-helixtrans-58.9-41.8179.5-166.485.9000111.8G60 K61 L67 V68 F111 V112 N113 L114G60-D64 VanDerWaalsContact O-CB 3.31Å; G60-D64 WeakPolarHBondContact O-CB 3.17Å; G60-D64 PolarHBondContact O-N 3.35Å; K61-D64 PolarHBondContact O-N 3.27Å; D64-L67 PolarHBondContact O-N 3.38Å; D64-V68 PolarHBondContact O-N 2.86Å; D64-F111 HydrophobicContact CB-CD1 4.31Å; D64-F111 WeakPolarHBondContact OD1-CA 3.43Å; D64-V112 PolarHBondContact OD1-N 3.08Å; D64-N113 PolarHBondContact O-ND2 3.12Å; D64-N113 WeakPolarHBondContact OD1-CA 3.17Å; D64-N113 WeakPolarHBondContact OD1-CB 3.47Å; D64-N113 PolarHBondContact OD1-N 2.77Å; D64-N113 PolarHBondContact OD2-ND2 3.49Å; D64-L114 HydrophobicContact CB-CB 4.15Å; D64-L114 PolarHBondContact OD1-N 3.32Å
65K87Confident84.9Confident128 Ų12852.6 Ų52.656%0.55728%0.279SS*.Hα-helixtrans-62.2-43.9173.3-75.4172.2-171.7169.40112.6K61 E62 I63 L67 V68K61-K65 WeakPolarHBondContact O-CB 3.21Å; K61-K65 VanDerWaalsContact O-CG 3.23Å; K61-K65 WeakPolarHBondContact O-CG 3.42Å; K61-K65 PolarHBondContact O-N 3.14Å; E62-K65 IonicContact OE1-NZ 3.87Å; E62-K65 PolarHBondContact OE1-NZ 3.38Å; I63-K65 VanDerWaalsContact C-N 3.29Å; I63-K65 PolarHBondContact O-N 3.14Å; K65-L67 PolarHBondContact O-N 3.22Å; K65-V68 WeakPolarHBondContact O-CB 3.48Å; K65-V68 VanDerWaalsContact O-CG2 3.28Å; K65-V68 WeakPolarHBondContact O-CG2 3.5Å; K65-V68 PolarHBondContact O-N 3.26Å
66A87.4Confident85.2Confident32 Ų3252.1 Ų52.126%0.26428%0.284SS..Hα-helixtrans-64.6-27.9-18000000112.7W42 E62 I63 I73W42-A66 HydrophobicContact CH2-CB 3.53Å; W42-A66 HydrophobicContact CZ2-CB 3.37Å; E62-A66 WeakPolarHBondContact O-CB 3.47Å; E62-A66 PolarHBondContact O-N 2.89Å; I63-A66 PolarHBondContact O-N 2.98Å; I63-A66 VanDerWaalsContact O-N 3.12Å; A66-I73 HydrophobicContact CB-CD1 3.81Å
67L91Very high85.1Confident10 Ų1058 Ų585%0.05231%0.311CS..THydrogen-bonded Turntrans-86.3-4.2-179.1-68.1167.4000114.4I63 D64 K65 N69 S70 I73 N113 L114 Y117I63-L67 HydrophobicContact CG2-CD1 3.68Å; I63-L67 HydrophobicContact CG2-CG 4.27Å; I63-L67 WeakPolarHBondContact O-CD1 3.36Å; I63-L67 VanDerWaalsContact O-CG 3.27Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 3.01Å; D64-L67 PolarHBondContact O-N 3.38Å; K65-L67 PolarHBondContact O-N 3.22Å; L67-N69 VanDerWaalsContact C-N 3.25Å; L67-N69 PolarHBondContact O-N 3.27Å; L67-S70 PolarHBondContact O-N 3.43Å; L67-I73 HydrophobicContact CD2-CD1 4.04Å; L67-I73 HydrophobicContact CG-CD1 4.09Å; L67-N113 HydrophobicContact CB-CB 3.83Å; L67-L114 HydrophobicContact CD1-CD1 4.36Å; L67-Y117 VanDerWaalsContact CD1-CB 3.46Å; L67-Y117 HydrophobicContact CD1-CD1 3.73Å; L67-Y117 HydrophobicContact CD1-CD2 4.09Å; L67-Y117 HydrophobicContact CD1-CE1 4.43Å; L67-Y117 HydrophobicContact CD1-CG 3.5Å; L67-Y117 VanDerWaalsContact CD1-CG 3.5Å; L67-Y117 HydrophobicContact CD2-CD1 4.43Å; L67-Y117 HydrophobicContact CD2-CD2 3.42Å; L67-Y117 VanDerWaalsContact CD2-CD2 3.42Å; L67-Y117 HydrophobicContact CD2-CE2 3.76Å; L67-Y117 HydrophobicContact CD2-CG 3.76Å; L67-Y117 HydrophobicContact CG-CD2 4.4Å; L67-Y117 HydrophobicContact CG-CG 4.28Å
68V86.3Confident85.2Confident79 Ų7956.4 Ų56.448%0.47930%0.299SS..THydrogen-bonded Turntrans-56.2-38.5-176.1171.80000112.5D64 K65D64-V68 PolarHBondContact O-N 2.86Å; K65-V68 WeakPolarHBondContact O-CB 3.48Å; K65-V68 VanDerWaalsContact O-CG2 3.28Å; K65-V68 WeakPolarHBondContact O-CG2 3.5Å; K65-V68 PolarHBondContact O-N 3.26Å
69N81.2Confident85.3Confident154 Ų15451.6 Ų51.682%0.82428%0.283SS*.THydrogen-bonded Turntrans-120.111.8-176.3-64.8-42.5000113.6L67L67-N69 VanDerWaalsContact C-N 3.25Å; L67-N69 PolarHBondContact O-N 3.27Å
70S81.8Confident85.2Confident43 Ų4351.9 Ų51.930%0.30128%0.284SS..  trans-132.1136.1-170.7-54.20000111.8L67 Y72L67-S70 PolarHBondContact O-N 3.43Å; S70-Y72 WeakPolarHBondContact CB-O 3.47Å
71T84Confident85.1Confident71 Ų7151.9 Ų51.944%0.43628%0.284SS..SBendtrans-71.5-38178.4-540000111.7G75 R120T71-G75 PolarHBondContact N-O 3.33Å; T71-R120 PolarHBondContact O-NH1 3.18Å
72Y87.9Confident85.4Confident34 Ų3447.1 Ų47.113%0.13326%0.264CS..BIsolated β-bridgetrans-125.6165.3173.2-65.1-80.5000109.3S70 N74 G75 S76 E77 F78 D82 L121 L124S70-Y72 WeakPolarHBondContact CB-O 3.47Å; Y72-N74 VanDerWaalsContact C-N 3.27Å; Y72-N74 PolarHBondContact O-N 2.99Å; Y72-G75 PolarHBondContact N-O 3.17Å; Y72-G75 PolarHBondContact O-N 3.13Å; Y72-G75 VanDerWaalsContact O-N 3.15Å; Y72-S76 VanDerWaalsContact CD2-C 3.48Å; Y72-S76 WeakPolarHBondContact CD2-O 3.4Å; Y72-S76 WeakPolarHBondContact CE2-O 3.4Å; Y72-E77 VanDerWaalsContact CB-O 3.3Å; Y72-E77 WeakPolarHBondContact CB-O 3.37Å; Y72-F78 HydrophobicContact CD1-CB 4.04Å; Y72-F78 AromaticContact CD1-CD2 3.95Å; Y72-F78 HydrophobicContact CD1-CD2 3.95Å; Y72-F78 HydrophobicContact CE1-CB 3.67Å; Y72-F78 AromaticContact CE1-CD2 3.73Å; Y72-F78 HydrophobicContact CE1-CD2 3.73Å; Y72-F78 HydrophobicContact CE1-CG 4.18Å; Y72-D82 WeakPolarHBondContact CB-OD1 3.39Å; Y72-D82 HydrophobicContact CD1-CB 4.49Å; Y72-L121 HydrophobicContact CD1-CD2 4Å; Y72-L121 HydrophobicContact CE1-CD2 3.72Å; Y72-L124 HydrophobicContact CE1-CD1 4.49Å
73I87.2Confident85.4Confident9 Ų944.2 Ų44.25%0.04625%0.25CS..THydrogen-bonded Turntrans-62.4-33.7-168.6-160.373.6000113.5W42 I63 A66 L67 D82 I85W42-I73 HydrophobicContact CD2-CD1 4.23Å; W42-I73 HydrophobicContact CD2-CG1 3.54Å; W42-I73 VanDerWaalsContact CE2-CG1 3.41Å; W42-I73 HydrophobicContact CE3-CD1 4.29Å; W42-I73 HydrophobicContact CE3-CG1 4.01Å; W42-I73 HydrophobicContact CG-CG1 3.92Å; W42-I73 HydrophobicContact CG-CG2 4.38Å; W42-I73 HydrophobicContact CH2-CD1 3.89Å; W42-I73 HydrophobicContact CH2-CG1 4.24Å; W42-I73 HydrophobicContact CZ2-CD1 3.81Å; W42-I73 HydrophobicContact CZ2-CG1 3.8Å; W42-I73 HydrophobicContact CZ3-CD1 4.13Å; W42-I73 HydrophobicContact CZ3-CG1 4.33Å; I63-I73 HydrophobicContact CG2-CD1 3.95Å; A66-I73 HydrophobicContact CB-CD1 3.81Å; L67-I73 HydrophobicContact CD2-CD1 4.04Å; L67-I73 HydrophobicContact CG-CD1 4.09Å; I73-D82 PolarHBondContact N-OD1 2.84Å; I73-I85 HydrophobicContact CB-CD1 4.04Å; I73-I85 HydrophobicContact CD1-CD1 3.84Å; I73-I85 HydrophobicContact CG1-CD1 3.57Å; I73-I85 HydrophobicContact CG2-CD1 4.15Å
74N82.5Confident85.2Confident37 Ų3744.2 Ų44.220%0.19825%0.25CS..THydrogen-bonded Turntrans-107.714.7178.6-69.3-17.2000113.6T39 W42 Y72 S81T39-N74 WeakPolarHBondContact CA-ND2 3.18Å; T39-N74 PolarHBondContact OG1-ND2 3.25Å; W42-N74 PolarHBondContact NE1-OD1 3.33Å; Y72-N74 VanDerWaalsContact C-N 3.27Å; Y72-N74 PolarHBondContact O-N 2.99Å; N74-S81 PolarHBondContact ND2-OG 3.48Å
75G79Confident85.3Confident26 Ų2643.2 Ų43.227%0.26825%0.245SC..BIsolated β-bridgetrans140.2-135.5175.500000114.9T71 Y72T71-G75 PolarHBondContact N-O 3.33Å; Y72-G75 PolarHBondContact N-O 3.17Å; Y72-G75 PolarHBondContact O-N 3.13Å; Y72-G75 VanDerWaalsContact O-N 3.15Å
76S78.7Confident85.5Confident98 Ų9837.1 Ų37.169%0.68522%0.219SC*.SBendtrans-95.1-9.5-173.653.20000114.8Y72Y72-S76 VanDerWaalsContact CD2-C 3.48Å; Y72-S76 WeakPolarHBondContact CD2-O 3.4Å; Y72-S76 WeakPolarHBondContact CE2-O 3.4Å
77E81.4Confident85.6Confident129 Ų12935.6 Ų35.660%0.60321%0.206SC*.SBendtrans-119.3149.6-178-62.5-170.4177.600112Y72Y72-E77 VanDerWaalsContact CB-O 3.3Å; Y72-E77 WeakPolarHBondContact CB-O 3.37Å
78F84.3Confident85.6Confident36 Ų3635.1 Ų35.116%0.15820%0.203CC..  trans-70.7127.3177.7179.3-103000111I31 Y72 D82 L83 L121 L124 V127I31-F78 HydrophobicContact CD1-CE1 4.34Å; I31-F78 HydrophobicContact CG1-CD1 4.17Å; I31-F78 HydrophobicContact CG1-CE1 4.34Å; Y72-F78 HydrophobicContact CD1-CB 4.04Å; Y72-F78 AromaticContact CD1-CD2 3.95Å; Y72-F78 HydrophobicContact CD1-CD2 3.95Å; Y72-F78 HydrophobicContact CE1-CB 3.67Å; Y72-F78 AromaticContact CE1-CD2 3.73Å; Y72-F78 HydrophobicContact CE1-CD2 3.73Å; Y72-F78 HydrophobicContact CE1-CG 4.18Å; F78-D82 HydrophobicContact CD2-CB 3.55Å; F78-D82 HydrophobicContact CE2-CB 3.47Å; F78-D82 VanDerWaalsContact CE2-CB 3.47Å; F78-D82 HydrophobicContact CZ-CB 4.39Å; F78-L83 HydrophobicContact CE1-CB 4.47Å; F78-L83 HydrophobicContact CZ-CB 3.89Å; F78-L83 HydrophobicContact CZ-CD1 4.24Å; F78-L121 HydrophobicContact CD2-CD2 3.75Å; F78-L121 HydrophobicContact CE2-CD2 3.74Å; F78-L124 HydrophobicContact CD2-CD1 3.66Å; F78-L124 HydrophobicContact CE2-CD1 3.85Å; F78-L124 HydrophobicContact CG-CD1 4.07Å; F78-L124 HydrophobicContact CZ-CD1 4.42Å; F78-V127 HydrophobicContact CE2-CG2 4.34Å; F78-V127 HydrophobicContact CZ-CG2 4.09Å
79S84.6Confident85.8Confident16 Ų1631.4 Ų31.411%0.11218%0.181CC..  trans-124175.7-172.874.20000112.9S81 D82 L83S79-S81 PolarHBondContact O-N 2.69Å; S79-S81 WeakPolarHBondContact OG-CB 3.19Å; S79-S81 PolarHBondContact OG-N 3.44Å; S79-D82 WeakPolarHBondContact CB-OD2 3.36Å; S79-D82 PolarHBondContact N-OD2 2.83Å; S79-D82 PolarHBondContact O-N 3.05Å; S79-D82 PolarHBondContact OG-OD2 3.47Å; S79-L83 PolarHBondContact O-N 3.21Å
80L82.9Confident86.2Confident6 Ų624.7 Ų24.73%0.03114%0.144CC..Hα-helixtrans-60.6-34.2173.2178.163.9000111.7C4 L5 F8 L28 I31 T39 V43 D82 L83 A84C4-L80 HydrophobicContact CB-CD2 3.68Å; L5-L80 HydrophobicContact CB-CD2 4.5Å; L5-L80 HydrophobicContact CD1-CD1 4.19Å; F8-L80 HydrophobicContact CD1-CD1 3.95Å; F8-L80 HydrophobicContact CE1-CD1 4.44Å; L28-L80 HydrophobicContact CD2-CD1 3.5Å; L28-L80 VanDerWaalsContact CD2-CD1 3.5Å; I31-L80 HydrophobicContact CD1-CB 4.44Å; T39-L80 HydrophobicContact CG2-CB 4.03Å; V43-L80 HydrophobicContact CG2-CD2 4.05Å; V43-L80 HydrophobicContact CG2-CG 3.81Å; L80-D82 VanDerWaalsContact C-N 3.28Å; L80-D82 PolarHBondContact O-N 2.91Å; L80-L83 PolarHBondContact O-N 2.81Å; L80-A84 WeakPolarHBondContact O-CB 3.23Å; L80-A84 PolarHBondContact O-N 3.25Å
81S86.9Confident86.5Confident0 Ų023.2 Ų23.20%013%0.133CC..Hα-helixtrans-61.6-38.6176.4-59.90000112.1T39 N74 S79 A84 I85T39-S81 WeakPolarHBondContact CA-OG 3.21Å; T39-S81 WeakPolarHBondContact CG2-OG 3.42Å; T39-S81 PolarHBondContact O-OG 2.87Å; T39-S81 VanDerWaalsContact O-OG 3.11Å; N74-S81 PolarHBondContact ND2-OG 3.48Å; S79-S81 PolarHBondContact O-N 2.69Å; S79-S81 WeakPolarHBondContact OG-CB 3.19Å; S79-S81 PolarHBondContact OG-N 3.44Å; S81-A84 PolarHBondContact O-N 3.02Å; S81-I85 WeakPolarHBondContact O-CB 3.35Å; S81-I85 VanDerWaalsContact O-CG1 3.31Å; S81-I85 WeakPolarHBondContact O-CG1 3.38Å; S81-I85 PolarHBondContact O-N 3.19Å
82D89.9Confident86.6Confident0 Ų019.9 Ų19.90%011%0.112CC..Hα-helixtrans-68-43.1178.3-58.8-78.1000112.1Y72 I73 F78 S79 L80 A84 W86 Y117 L121Y72-D82 WeakPolarHBondContact CB-OD1 3.39Å; Y72-D82 HydrophobicContact CD1-CB 4.49Å; I73-D82 PolarHBondContact N-OD1 2.84Å; F78-D82 HydrophobicContact CD2-CB 3.55Å; F78-D82 HydrophobicContact CE2-CB 3.47Å; F78-D82 VanDerWaalsContact CE2-CB 3.47Å; F78-D82 HydrophobicContact CZ-CB 4.39Å; S79-D82 WeakPolarHBondContact CB-OD2 3.36Å; S79-D82 PolarHBondContact N-OD2 2.83Å; S79-D82 PolarHBondContact O-N 3.05Å; S79-D82 PolarHBondContact OG-OD2 3.47Å; L80-D82 VanDerWaalsContact C-N 3.28Å; L80-D82 PolarHBondContact O-N 2.91Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 2.62Å; D82-W86 VanDerWaalsContact O-CB 3.26Å; D82-W86 WeakPolarHBondContact O-CB 3.42Å; D82-W86 PolarHBondContact O-N 3.1Å; D82-Y117 WeakPolarHBondContact CA-OH 3.37Å; D82-Y117 VanDerWaalsContact CB-OH 3.29Å; D82-Y117 WeakPolarHBondContact CB-OH 3.48Å; D82-Y117 VanDerWaalsContact OD1-CE2 3.22Å; D82-Y117 WeakPolarHBondContact OD1-CE2 3.36Å; D82-Y117 PolarHBondContact OD1-OH 3.41Å; D82-L121 HydrophobicContact CB-CD1 4.27Å; D82-L121 HydrophobicContact CB-CD2 4.46Å
83L87.5Confident86.3Confident0 Ų021.2 Ų21.20%013%0.125CC..Hα-helixtrans-61.4-42.1175-173.662.6000111.4F8 A27 L28 F78 S79 L80 T87 L130F8-L83 HydrophobicContact CE1-CD2 4.05Å; F8-L83 HydrophobicContact CE1-CG 4.08Å; F8-L83 HydrophobicContact CZ-CG 4.32Å; A27-L83 HydrophobicContact CB-CD1 3.86Å; A27-L83 HydrophobicContact CB-CD2 3.95Å; L28-L83 HydrophobicContact CD2-CD2 3.6Å; L28-L83 HydrophobicContact CG-CD2 3.94Å; F78-L83 HydrophobicContact CE1-CB 4.47Å; F78-L83 HydrophobicContact CZ-CB 3.89Å; F78-L83 HydrophobicContact CZ-CD1 4.24Å; S79-L83 PolarHBondContact O-N 3.21Å; L80-L83 PolarHBondContact O-N 2.81Å; L83-T87 WeakPolarHBondContact O-CB 3.35Å; L83-T87 PolarHBondContact O-N 2.85Å; L83-T87 PolarHBondContact O-OG1 3.4Å; L83-L130 HydrophobicContact CD1-CD2 3.8Å
84A87.7Confident86.2Confident0 Ų023.8 Ų23.80%014%0.139CC..Hα-helixtrans-65.2-51.6178.900000112F8 V43 A46 L80 S81 D82 W86 T87 F88F8-A84 HydrophobicContact CD2-CB 3.86Å; F8-A84 VanDerWaalsContact CE2-CA 3.47Å; F8-A84 HydrophobicContact CE2-CB 3.71Å; F8-A84 HydrophobicContact CG-CB 4.48Å; F8-A84 HydrophobicContact CZ-CB 4.18Å; V43-A84 HydrophobicContact CB-CB 4.36Å; V43-A84 HydrophobicContact CG1-CB 4.35Å; V43-A84 HydrophobicContact CG2-CB 3.96Å; A46-A84 HydrophobicContact CB-CB 4.13Å; L80-A84 WeakPolarHBondContact O-CB 3.23Å; L80-A84 PolarHBondContact O-N 3.25Å; S81-A84 PolarHBondContact O-N 3.02Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 2.62Å; A84-W86 VanDerWaalsContact C-N 3.35Å; A84-W86 PolarHBondContact O-N 2.92Å; A84-T87 PolarHBondContact O-N 2.83Å; A84-F88 WeakPolarHBondContact O-CD2 3.38Å; A84-F88 PolarHBondContact O-N 2.95Å; A84-F88 VanDerWaalsContact O-N 3.08Å
85I91.6Very high86.5Confident0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-57.5-49.6177.8-71170.1000110.4W42 A46 L50 I63 I73 S81 T87 F88 L89 Y117W42-I85 HydrophobicContact CB-CD1 4.43Å; W42-I85 HydrophobicContact CD2-CD1 4.15Å; W42-I85 HydrophobicContact CE3-CD1 3.67Å; W42-I85 HydrophobicContact CZ3-CD1 4.29Å; A46-I85 HydrophobicContact CB-CG1 4.06Å; L50-I85 HydrophobicContact CD1-CB 4.45Å; L50-I85 HydrophobicContact CD1-CG2 4.11Å; I63-I85 HydrophobicContact CD1-CG2 4.07Å; I63-I85 HydrophobicContact CG2-CG2 4.31Å; I73-I85 HydrophobicContact CB-CD1 4.04Å; I73-I85 HydrophobicContact CD1-CD1 3.84Å; I73-I85 HydrophobicContact CG1-CD1 3.57Å; I73-I85 HydrophobicContact CG2-CD1 4.15Å; S81-I85 WeakPolarHBondContact O-CB 3.35Å; S81-I85 VanDerWaalsContact O-CG1 3.31Å; S81-I85 WeakPolarHBondContact O-CG1 3.38Å; S81-I85 PolarHBondContact O-N 3.19Å; I85-T87 VanDerWaalsContact C-N 3.34Å; I85-T87 PolarHBondContact O-N 2.72Å; I85-F88 PolarHBondContact O-N 3.38Å; I85-L89 HydrophobicContact CG2-CD1 3.71Å; I85-L89 HydrophobicContact CG2-CG 4.23Å; I85-L89 WeakPolarHBondContact O-CB 3.24Å; I85-L89 VanDerWaalsContact O-CG 3.26Å; I85-L89 WeakPolarHBondContact O-CG 3.45Å; I85-L89 PolarHBondContact O-N 2.96Å; I85-Y117 HydrophobicContact CG2-CE1 3.95Å
86W92.5Very high86.8Confident0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-60.5-43.2-179.7178.684.8000112.6D82 A84 F88 L89 E90 Y118 L121 I122 V127 L130 K131 I134D82-W86 VanDerWaalsContact O-CB 3.26Å; D82-W86 WeakPolarHBondContact O-CB 3.42Å; D82-W86 PolarHBondContact O-N 3.1Å; A84-W86 VanDerWaalsContact C-N 3.35Å; A84-W86 PolarHBondContact O-N 2.92Å; W86-F88 VanDerWaalsContact C-N 3.34Å; W86-F88 PolarHBondContact O-N 3.27Å; W86-L89 PolarHBondContact O-N 2.94Å; W86-E90 HydrophobicContact CH2-CB 4.22Å; W86-E90 HydrophobicContact CH2-CG 4.01Å; W86-E90 HydrophobicContact CZ2-CB 4.15Å; W86-E90 HydrophobicContact CZ2-CG 4.02Å; W86-E90 HydrophobicContact CZ3-CB 4.47Å; W86-E90 WeakPolarHBondContact O-CB 3.48Å; W86-E90 PolarHBondContact O-N 3.31Å; W86-Y118 AromaticContact CD1-CD2 3.67Å; W86-Y118 AromaticContact CD1-CE2 3.8Å; W86-Y118 AromaticContact NE1-CD2 3.9Å; W86-Y118 AromaticContact NE1-CE2 3.6Å; W86-L121 HydrophobicContact CB-CD1 3.62Å; W86-L121 HydrophobicContact CG-CB 4.27Å; W86-L121 HydrophobicContact CG-CD1 4.14Å; W86-I122 HydrophobicContact CZ2-CG1 4.49Å; W86-V127 HydrophobicContact CD2-CG1 3.36Å; W86-V127 HydrophobicContact CE3-CG1 3.76Å; W86-V127 HydrophobicContact CG-CG1 3.96Å; W86-V127 HydrophobicContact CH2-CG1 3.78Å; W86-V127 HydrophobicContact CZ2-CG1 3.38Å; W86-V127 HydrophobicContact CZ3-CG1 3.96Å; W86-L130 HydrophobicContact CE3-CD2 4.43Å; W86-L130 HydrophobicContact CH2-CB 4.45Å; W86-L130 HydrophobicContact CZ3-CB 4.18Å; W86-L130 HydrophobicContact CZ3-CD2 3.83Å; W86-L130 HydrophobicContact CZ3-CG 4.13Å; W86-K131 HydrophobicContact CH2-CB 3.65Å; W86-K131 HydrophobicContact CH2-CG 4.31Å; W86-K131 HydrophobicContact CZ2-CB 3.77Å; W86-K131 HydrophobicContact CZ2-CD 4.25Å; W86-K131 HydrophobicContact CZ2-CG 4.13Å; W86-I134 HydrophobicContact CH2-CD1 4.11Å; W86-I134 HydrophobicContact CZ3-CD1 3.85Å
87T89.1Confident86.9Confident0 Ų025.3 Ų25.30%013%0.125CC..Hα-helixtrans-64.8-41.9-177.9-550000111.1L12 L16 L83 A84 I85 E90 I91 I134L12-T87 HydrophobicContact CD2-CG2 3.35Å; L16-T87 HydrophobicContact CD1-CG2 4.34Å; L83-T87 WeakPolarHBondContact O-CB 3.35Å; L83-T87 PolarHBondContact O-N 2.85Å; L83-T87 PolarHBondContact O-OG1 3.4Å; A84-T87 PolarHBondContact O-N 2.83Å; I85-T87 VanDerWaalsContact C-N 3.34Å; I85-T87 PolarHBondContact O-N 2.72Å; T87-E90 PolarHBondContact O-N 3.37Å; T87-I91 PolarHBondContact O-N 3.1Å; T87-I91 VanDerWaalsContact O-N 3.12Å; T87-I134 HydrophobicContact CG2-CD1 3.89Å
88F90Very high86.9Confident0 Ų020.7 Ų20.70%010%0.104CC..Hα-helixtrans-70.9-35.2177-82.8-86.8000113F8 S11 H15 A46 T47 L50 Q51 A84 I85 W86 I91 N92F8-F88 HydrophobicContact CD2-CE2 4.24Å; F8-F88 HydrophobicContact CE2-CD2 4.3Å; F8-F88 AromaticContact CE2-CE2 3.97Å; F8-F88 HydrophobicContact CE2-CE2 3.97Å; S11-F88 WeakPolarHBondContact OG-CZ 3.49Å; H15-F88 AromaticContact CD2-CE1 3.64Å; H15-F88 AromaticContact CD2-CZ 3.94Å; H15-F88 AromaticContact NE2-CE1 3.96Å; A46-F88 HydrophobicContact CB-CB 4.43Å; A46-F88 HydrophobicContact CB-CD2 4.16Å; A46-F88 HydrophobicContact CB-CG 4.49Å; T47-F88 HydrophobicContact CG2-CD2 4.44Å; T47-F88 HydrophobicContact CG2-CE2 3.6Å; T47-F88 HydrophobicContact CG2-CZ 3.87Å; L50-F88 HydrophobicContact CB-CB 3.6Å; L50-F88 HydrophobicContact CB-CG 4.45Å; L50-F88 HydrophobicContact CD1-CB 4.05Å; Q51-F88 HydrophobicContact CG-CD1 4.45Å; Q51-F88 HydrophobicContact CG-CE1 4.21Å; A84-F88 WeakPolarHBondContact O-CD2 3.38Å; A84-F88 PolarHBondContact O-N 2.95Å; A84-F88 VanDerWaalsContact O-N 3.08Å; I85-F88 PolarHBondContact O-N 3.38Å; W86-F88 VanDerWaalsContact C-N 3.34Å; W86-F88 PolarHBondContact O-N 3.27Å; F88-I91 HydrophobicContact CD1-CD1 3.84Å; F88-I91 HydrophobicContact CD1-CG1 4.4Å; F88-I91 HydrophobicContact CE1-CD1 3.99Å; F88-I91 HydrophobicContact CG-CD1 4.45Å; F88-I91 WeakPolarHBondContact O-CG1 3.41Å; F88-I91 PolarHBondContact O-N 3.39Å; F88-N92 VanDerWaalsContact O-CB 3.23Å; F88-N92 WeakPolarHBondContact O-CB 3.31Å; F88-N92 PolarHBondContact O-N 3.45Å; F88-N92 VanDerWaalsContact O-N 3.08Å
89L91Very high86.8Confident0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-61-45.9168.9-72171.7000111.6L50 F56 I85 W86 I91 N92 W95 L114 Y118L50-L89 HydrophobicContact CD1-CD2 4.4Å; L50-L89 HydrophobicContact CD1-CG 4.22Å; L50-L89 HydrophobicContact CD2-CD2 4.03Å; F56-L89 HydrophobicContact CE2-CD2 3.51Å; F56-L89 HydrophobicContact CZ-CD2 3.98Å; I85-L89 HydrophobicContact CG2-CD1 3.71Å; I85-L89 HydrophobicContact CG2-CG 4.23Å; I85-L89 WeakPolarHBondContact O-CB 3.24Å; I85-L89 VanDerWaalsContact O-CG 3.26Å; I85-L89 WeakPolarHBondContact O-CG 3.45Å; I85-L89 PolarHBondContact O-N 2.96Å; W86-L89 PolarHBondContact O-N 2.94Å; L89-I91 VanDerWaalsContact C-N 3.27Å; L89-I91 PolarHBondContact O-N 3.43Å; L89-N92 PolarHBondContact O-N 2.89Å; L89-N92 VanDerWaalsContact O-N 3.12Å; L89-W95 HydrophobicContact CB-CG 4.24Å; L89-W95 HydrophobicContact CD2-CB 4.23Å; L89-W95 HydrophobicContact CD2-CD2 4.09Å; L89-W95 HydrophobicContact CD2-CE3 4.5Å; L89-W95 HydrophobicContact CD2-CG 3.96Å; L89-W95 VanDerWaalsContact O-CD1 3.28Å; L89-L114 HydrophobicContact CD1-CD1 3.77Å; L89-Y118 HydrophobicContact CB-CD2 4.14Å; L89-Y118 HydrophobicContact CB-CE2 4.19Å; L89-Y118 HydrophobicContact CD1-CD2 4.11Å
90E90.6Very high86.4Confident13 Ų1325.2 Ų25.26%0.06113%0.125CC..Hα-helixtrans-61.9-34.9-179.2-173.466.5-143.900111.9W86 T87 H96 Y118 K131 I134 R138W86-E90 HydrophobicContact CH2-CB 4.22Å; W86-E90 HydrophobicContact CH2-CG 4.01Å; W86-E90 HydrophobicContact CZ2-CB 4.15Å; W86-E90 HydrophobicContact CZ2-CG 4.02Å; W86-E90 HydrophobicContact CZ3-CB 4.47Å; W86-E90 WeakPolarHBondContact O-CB 3.48Å; W86-E90 PolarHBondContact O-N 3.31Å; T87-E90 PolarHBondContact O-N 3.37Å; E90-H96 PolarHBondContact O-NE2 3.09Å; E90-H96 IonicContact OE1-CE1 3.79Å; E90-H96 IonicContact OE1-NE2 3.81Å; E90-Y118 PolarHBondContact OE2-OH 3.48Å; E90-K131 VanDerWaalsContact CD-NZ 3.29Å; E90-K131 HydrophobicContact CG-CG 4.47Å; E90-K131 WeakPolarHBondContact OE1-CE 3.46Å; E90-K131 IonicContact OE1-NZ 3.53Å; E90-K131 PolarHBondContact OE1-NZ 2.78Å; E90-K131 IonicContact OE2-NZ 3.03Å; E90-K131 PolarHBondContact OE2-NZ 2.83Å; E90-I134 HydrophobicContact CG-CD1 4.36Å; E90-I134 HydrophobicContact CG-CG2 4.27Å; E90-R138 PolarHBondContact O-NH2 3.1Å
91I86.2Confident85.7Confident13 Ų1326.2 Ų26.27%0.06713%0.132CC..Hα-helixtrans-86-10.6176.468.5178.1000114.4H15 L16 T87 F88 L89 P93 I134H15-I91 HydrophobicContact CB-CD1 3.89Å; L16-I91 HydrophobicContact CD1-CG2 3.85Å; L16-I91 HydrophobicContact CD2-CG2 3.92Å; L16-I91 HydrophobicContact CG-CG2 4.12Å; T87-I91 PolarHBondContact O-N 3.1Å; T87-I91 VanDerWaalsContact O-N 3.12Å; F88-I91 HydrophobicContact CD1-CD1 3.84Å; F88-I91 HydrophobicContact CD1-CG1 4.4Å; F88-I91 HydrophobicContact CE1-CD1 3.99Å; F88-I91 HydrophobicContact CG-CD1 4.45Å; F88-I91 WeakPolarHBondContact O-CG1 3.41Å; F88-I91 PolarHBondContact O-N 3.39Å; L89-I91 VanDerWaalsContact C-N 3.27Å; L89-I91 PolarHBondContact O-N 3.43Å; I91-P93 WeakPolarHBondContact O-CD 3.26Å; I91-I134 HydrophobicContact CG2-CG2 3.98Å
92N86.8Confident84.7Confident0 Ų028.4 Ų28.40%014%0.141CC..  trans-85.5118-177.7-169.2-49.8000111.6L50 Q51 F88 L89 D94 W95 H96L50-N92 PolarHBondContact O-ND2 3.29Å; Q51-N92 PolarHBondContact O-ND2 3.03Å; F88-N92 VanDerWaalsContact O-CB 3.23Å; F88-N92 WeakPolarHBondContact O-CB 3.31Å; F88-N92 PolarHBondContact O-N 3.45Å; F88-N92 VanDerWaalsContact O-N 3.08Å; L89-N92 PolarHBondContact O-N 2.89Å; L89-N92 VanDerWaalsContact O-N 3.12Å; N92-D94 VanDerWaalsContact C-N 3.34Å; N92-D94 PolarHBondContact O-N 2.87Å; N92-D94 WeakPolarHBondContact OD1-CB 3.45Å; N92-D94 PolarHBondContact OD1-N 2.88Å; N92-W95 HydrophobicContact CB-CB 4.31Å; N92-W95 PolarHBondContact O-N 3.01Å; N92-W95 PolarHBondContact OD1-N 2.88Å; N92-H96 PolarHBondContact O-CD2 3.3Å; N92-H96 VanDerWaalsContact O-CD2 3.29Å; N92-H96 PolarHBondContact O-N 3.11Å
93P82.8Confident83.4Confident62 Ų6236.5 Ų36.540%0.40318%0.176SC..Hα-helixtrans-68.7-28.5-178.526.6-32.3000113.7P52 I91 H96 K97P52-P93 HydrophobicContact CB-CG 4.34Å; I91-P93 WeakPolarHBondContact O-CD 3.26Å; P93-H96 PolarHBondContact O-N 3.15Å; P93-K97 PolarHBondContact O-N 2.81Å
94D83.5Confident82Confident64 Ų6442.2 Ų42.234%0.34221%0.211SC..Hα-helixtrans-70.9-36.2179.1-65.5-33.2000111.3F56 N92 K97 L98F56-D94 HydrophobicContact CB-CB 3.98Å; F56-D94 HydrophobicContact CD1-CB 4.44Å; F56-D94 HydrophobicContact CG-CB 4.21Å; N92-D94 VanDerWaalsContact C-N 3.34Å; N92-D94 PolarHBondContact O-N 2.87Å; N92-D94 WeakPolarHBondContact OD1-CB 3.45Å; N92-D94 PolarHBondContact OD1-N 2.88Å; D94-K97 PolarHBondContact O-N 3.16Å; D94-L98 WeakPolarHBondContact O-CB 3.38Å; D94-L98 PolarHBondContact O-N 2.83Å
95W88.4Confident80.6Confident0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-59.4-46.3170.6171.1-117.6000111.5F56 L89 N92 L98 N99 L114 K115 Y118F56-W95 HydrophobicContact CE1-CB 4.47Å; F56-W95 AromaticContact CE1-CE3 3.94Å; F56-W95 HydrophobicContact CE1-CE3 3.94Å; F56-W95 HydrophobicContact CE2-CB 3.9Å; F56-W95 HydrophobicContact CE2-CE3 4.43Å; F56-W95 HydrophobicContact CZ-CB 3.89Å; F56-W95 HydrophobicContact CZ-CD2 4.12Å; F56-W95 AromaticContact CZ-CE3 3.45Å; F56-W95 HydrophobicContact CZ-CE3 3.45Å; F56-W95 VanDerWaalsContact CZ-CE3 3.45Å; F56-W95 HydrophobicContact CZ-CG 4.34Å; F56-W95 HydrophobicContact CZ-CZ3 4.29Å; L89-W95 HydrophobicContact CB-CG 4.24Å; L89-W95 HydrophobicContact CD2-CB 4.23Å; L89-W95 HydrophobicContact CD2-CD2 4.09Å; L89-W95 HydrophobicContact CD2-CE3 4.5Å; L89-W95 HydrophobicContact CD2-CG 3.96Å; L89-W95 VanDerWaalsContact O-CD1 3.28Å; N92-W95 HydrophobicContact CB-CB 4.31Å; N92-W95 PolarHBondContact O-N 3.01Å; N92-W95 PolarHBondContact OD1-N 2.88Å; W95-L98 HydrophobicContact CE3-CD2 4.06Å; W95-L98 HydrophobicContact CZ3-CD2 3.85Å; W95-L98 PolarHBondContact O-N 3.14Å; W95-N99 HydrophobicContact CD2-CB 4.41Å; W95-N99 HydrophobicContact CZ2-CB 4.25Å; W95-N99 WeakPolarHBondContact O-CB 3.46Å; W95-N99 PolarHBondContact O-N 2.85Å; W95-L114 HydrophobicContact CE3-CD2 4.26Å; W95-L114 HydrophobicContact CH2-CD2 4.33Å; W95-L114 HydrophobicContact CH2-CG 3.91Å; W95-L114 HydrophobicContact CZ3-CD2 3.77Å; W95-L114 HydrophobicContact CZ3-CG 3.88Å; W95-K115 HydrophobicContact CH2-CB 4.35Å; W95-K115 HydrophobicContact CH2-CD 4.3Å; W95-Y118 AromaticContact CD1-CE2 3.98Å; W95-Y118 AromaticContact CE2-CD1 3.98Å; W95-Y118 AromaticContact CE2-CD2 3.95Å; W95-Y118 AromaticContact CE2-CG 3.82Å; W95-Y118 AromaticContact CZ2-CD1 3.63Å; W95-Y118 HydrophobicContact CZ2-CD1 3.63Å; W95-Y118 HydrophobicContact CZ2-CD2 4.09Å; W95-Y118 HydrophobicContact CZ2-CE1 4.26Å; W95-Y118 AromaticContact CZ2-CG 3.5Å; W95-Y118 HydrophobicContact CZ2-CG 3.5Å; W95-Y118 AromaticContact NE1-CD1 3.69Å; W95-Y118 AromaticContact NE1-CD2 3.37Å; W95-Y118 AromaticContact NE1-CE1 3.51Å; W95-Y118 AromaticContact NE1-CE2 3.24Å; W95-Y118 AromaticContact NE1-CG 3.6Å; W95-Y118 AromaticContact NE1-CZ 3.3Å; W95-Y118 VanDerWaalsContact NE1-CZ 3.3Å
96H86.6Confident78.8Confident54 Ų5448.6 Ų48.625%0.2526%0.257CS..Hα-helixtrans-64.1-42.5179.6-75.2-68.8000112.6E90 N92 P93 L98 N99 E100E90-H96 PolarHBondContact O-NE2 3.09Å; E90-H96 IonicContact OE1-CE1 3.79Å; E90-H96 IonicContact OE1-NE2 3.81Å; N92-H96 PolarHBondContact O-CD2 3.3Å; N92-H96 VanDerWaalsContact O-CD2 3.29Å; N92-H96 PolarHBondContact O-N 3.11Å; P93-H96 PolarHBondContact O-N 3.15Å; H96-L98 VanDerWaalsContact C-N 3.3Å; H96-L98 PolarHBondContact O-N 3.05Å; H96-N99 PolarHBondContact O-N 2.98Å; H96-E100 WeakPolarHBondContact O-CB 3.2Å; H96-E100 WeakPolarHBondContact O-CG 3.43Å; H96-E100 PolarHBondContact O-N 2.88Å
97K81.3Confident76.8Confident138 Ų13852.4 Ų52.460%0.628%0.283SS*.Hα-helixtrans-57.6-44.5173.7-75.3176.7-178170.80111.6P93 D94 E100 S101P93-K97 PolarHBondContact O-N 2.81Å; D94-K97 PolarHBondContact O-N 3.16Å; K97-E100 PolarHBondContact O-N 3.09Å; K97-S101 PolarHBondContact O-N 3.17Å
98L80.5Confident74.9Confident32 Ų3254.3 Ų54.317%0.16830%0.295CS..Hα-helixtrans-69.6-38.5179.1-167.5119.3000112.1F56 D94 W95 H96 E100 S101 Y102 V108 F111F56-L98 HydrophobicContact CE1-CD2 4.4Å; D94-L98 WeakPolarHBondContact O-CB 3.38Å; D94-L98 PolarHBondContact O-N 2.83Å; W95-L98 HydrophobicContact CE3-CD2 4.06Å; W95-L98 HydrophobicContact CZ3-CD2 3.85Å; W95-L98 PolarHBondContact O-N 3.14Å; H96-L98 VanDerWaalsContact C-N 3.3Å; H96-L98 PolarHBondContact O-N 3.05Å; L98-E100 VanDerWaalsContact C-N 3.34Å; L98-S101 PolarHBondContact O-N 3.31Å; L98-S101 PolarHBondContact O-OG 3.49Å; L98-Y102 HydrophobicContact CD2-CE2 4.27Å; L98-Y102 WeakPolarHBondContact O-CD2 3.49Å; L98-Y102 PolarHBondContact O-N 2.89Å; L98-V108 HydrophobicContact CD1-CG1 4.32Å; L98-F111 HydrophobicContact CD1-CD2 4.03Å; L98-F111 HydrophobicContact CD1-CE2 3.81Å; L98-F111 HydrophobicContact CD2-CB 4.28Å; L98-F111 HydrophobicContact CD2-CD2 3.54Å; L98-F111 HydrophobicContact CD2-CE2 4.11Å; L98-F111 HydrophobicContact CD2-CG 4.1Å; L98-F111 HydrophobicContact CG-CD2 4.37Å
99N81.6Confident73.5Confident17 Ų1762.6 Ų62.69%0.09133%0.331CS..Hα-helixtrans-69.4-31.5177.5-169.429000112W95 H96 K115W95-N99 HydrophobicContact CD2-CB 4.41Å; W95-N99 HydrophobicContact CZ2-CB 4.25Å; W95-N99 WeakPolarHBondContact O-CB 3.46Å; W95-N99 PolarHBondContact O-N 2.85Å; H96-N99 PolarHBondContact O-N 2.98Å; N99-K115 WeakPolarHBondContact OD1-CD 2.84Å; N99-K115 WeakPolarHBondContact OD1-CE 3.39Å; N99-K115 PolarHBondContact OD1-NZ 3.11Å
100E76.7Confident72.4Confident131 Ų13165.4 Ų65.461%0.61235%0.351SS*.Hα-helixtrans-73.4-41171.5-79.3-168.7160.700112.8H96 K97 L98 Y102 K103 T104H96-E100 WeakPolarHBondContact O-CB 3.2Å; H96-E100 WeakPolarHBondContact O-CG 3.43Å; H96-E100 PolarHBondContact O-N 2.88Å; K97-E100 PolarHBondContact O-N 3.09Å; L98-E100 VanDerWaalsContact C-N 3.34Å; E100-Y102 PolarHBondContact O-N 3.29Å; E100-K103 WeakPolarHBondContact O-CA 3.31Å; E100-K103 WeakPolarHBondContact O-CB 3.23Å; E100-K103 PolarHBondContact O-N 3.43Å; E100-T104 PolarHBondContact O-N 2.98Å; E100-T104 PolarHBondContact O-OG1 3.23Å
101S68.8Low72.1Confident27 Ų2765 Ų6519%0.18935%0.349CS..Hα-helixtrans-60.2-33.417969.20000112.3K97 L98 K103 T104 D105K97-S101 PolarHBondContact O-N 3.17Å; L98-S101 PolarHBondContact O-N 3.31Å; L98-S101 PolarHBondContact O-OG 3.49Å; S101-K103 VanDerWaalsContact C-N 3.26Å; S101-K103 PolarHBondContact O-N 3.29Å; S101-T104 WeakPolarHBondContact CA-OG1 3.43Å; S101-T104 PolarHBondContact O-N 3.46Å; S101-T104 PolarHBondContact O-OG1 2.97Å; S101-D105 PolarHBondContact O-N 2.9Å
102Y65.3Low72Confident46 Ų4667.3 Ų67.318%0.1836%0.363CS..Hα-helixtrans-57.6-33.9170.3-96.8-80.9000114.1L98 E100 V108 F111 V112L98-Y102 HydrophobicContact CD2-CE2 4.27Å; L98-Y102 WeakPolarHBondContact O-CD2 3.49Å; L98-Y102 PolarHBondContact O-N 2.89Å; E100-Y102 PolarHBondContact O-N 3.29Å; Y102-V108 WeakPolarHBondContact CE1-O 3.31Å; Y102-V108 VanDerWaalsContact CE2-O 3.23Å; Y102-V108 WeakPolarHBondContact CE2-O 3.39Å; Y102-V108 PolarHBondContact OH-O 2.93Å; Y102-F111 VanDerWaalsContact OH-C 3.3Å; Y102-F111 PolarHBondContact OH-N 2.82Å; Y102-F111 VanDerWaalsContact OH-N 3.12Å; Y102-V112 PolarHBondContact OH-N 2.9Å
103K62.5Low72.1Confident169 Ų16969.4 Ų69.474%0.73538%0.375SS*.Hα-helixtrans-76.1-28178.8-66.9-178.7-179.3173.40112.3E100 S101E100-K103 WeakPolarHBondContact O-CA 3.31Å; E100-K103 WeakPolarHBondContact O-CB 3.23Å; E100-K103 PolarHBondContact O-N 3.43Å; S101-K103 VanDerWaalsContact C-N 3.26Å; S101-K103 PolarHBondContact O-N 3.29Å
104T58.2Low72.5Confident121 Ų12166.5 Ų66.574%0.74236%0.356SS*.Hα-helixtrans-98.7-39.6-172450000113.9E100 S101E100-T104 PolarHBondContact O-N 2.98Å; E100-T104 PolarHBondContact O-OG1 3.23Å; S101-T104 WeakPolarHBondContact CA-OG1 3.43Å; S101-T104 PolarHBondContact O-N 3.46Å; S101-T104 PolarHBondContact O-OG1 2.97Å
105D59Low72.7Confident84 Ų8465 Ų6545%0.44935%0.346SS..THydrogen-bonded Turntrans-120-11.4-171.873.829.9000115.7S101 S107S101-D105 PolarHBondContact O-N 2.9Å; D105-S107 PolarHBondContact O-N 2.99Å; D105-S107 WeakPolarHBondContact OD1-CA 3.23Å; D105-S107 VanDerWaalsContact OD1-CB 3.27Å; D105-S107 WeakPolarHBondContact OD1-CB 3.09Å; D105-S107 PolarHBondContact OD1-N 2.86Å; D105-S107 PolarHBondContact OD1-OG 2.79Å; D105-S107 PolarHBondContact OD2-OG 3.37Å
106G54Low72.7Confident49 Ų4969.9 Ų69.951%0.50537%0.369SS..  trans56.510.6-178.900000115.3
107S49.3Very low73Confident80 Ų8067.3 Ų67.356%0.55936%0.357SS*.  trans-102.4-16.2-159.476.90000114.2D105 K109D105-S107 PolarHBondContact O-N 2.99Å; D105-S107 WeakPolarHBondContact OD1-CA 3.23Å; D105-S107 VanDerWaalsContact OD1-CB 3.27Å; D105-S107 WeakPolarHBondContact OD1-CB 3.09Å; D105-S107 PolarHBondContact OD1-N 2.86Å; D105-S107 PolarHBondContact OD1-OG 2.79Å; D105-S107 PolarHBondContact OD2-OG 3.37Å; S107-K109 PolarHBondContact O-N 2.87Å
108V50.5Low73.5Confident41 Ų4160.9 Ų60.925%0.24833%0.329CS..  trans-93.469.3179.2-168.80000110.8L98 Y102 S110L98-V108 HydrophobicContact CD1-CG1 4.32Å; Y102-V108 WeakPolarHBondContact CE1-O 3.31Å; Y102-V108 VanDerWaalsContact CE2-O 3.23Å; Y102-V108 WeakPolarHBondContact CE2-O 3.39Å; Y102-V108 PolarHBondContact OH-O 2.93Å; V108-S110 WeakPolarHBondContact CG1-OG 3.42Å; V108-S110 PolarHBondContact O-N 2.66Å
109K59.1Low73.9Confident173 Ų17362.5 Ų62.575%0.75234%0.338SS*.G310 helixtrans-62.27.1178.9-73.4-177.4176.8177.60116.1S107 F111 V112S107-K109 PolarHBondContact O-N 2.87Å; K109-F111 PolarHBondContact O-N 2.87Å; K109-V112 WeakPolarHBondContact O-CG2 3.42Å
110S68.4Low74.3Confident59 Ų5965.7 Ų65.741%0.41335%0.349SS..G310 helixtrans-87.3-1.8-166.160.40000116.2V108V108-S110 WeakPolarHBondContact CG1-OG 3.42Å; V108-S110 PolarHBondContact O-N 2.66Å
111F84.1Confident75Confident5 Ų559.5 Ų59.52%0.02232%0.32CS..G310 helixtrans-141.542-173.8-60-77.8000113V57 G60 K61 D64 L98 Y102 K109 L114 K115V57-F111 HydrophobicContact CG1-CZ 4.4Å; G60-F111 VanDerWaalsContact C-CE1 3.47Å; K61-F111 HydrophobicContact CB-CE1 4.4Å; K61-F111 HydrophobicContact CG-CE1 3.72Å; K61-F111 HydrophobicContact CG-CZ 4.12Å; D64-F111 HydrophobicContact CB-CD1 4.31Å; D64-F111 WeakPolarHBondContact OD1-CA 3.43Å; L98-F111 HydrophobicContact CD1-CD2 4.03Å; L98-F111 HydrophobicContact CD1-CE2 3.81Å; L98-F111 HydrophobicContact CD2-CB 4.28Å; L98-F111 HydrophobicContact CD2-CD2 3.54Å; L98-F111 HydrophobicContact CD2-CE2 4.11Å; L98-F111 HydrophobicContact CD2-CG 4.1Å; L98-F111 HydrophobicContact CG-CD2 4.37Å; Y102-F111 VanDerWaalsContact OH-C 3.3Å; Y102-F111 PolarHBondContact OH-N 2.82Å; Y102-F111 VanDerWaalsContact OH-N 3.12Å; K109-F111 PolarHBondContact O-N 2.87Å; F111-L114 HydrophobicContact CB-CB 4.36Å; F111-L114 HydrophobicContact CD1-CD2 4.26Å; F111-K115 VanDerWaalsContact O-CB 3.32Å; F111-K115 WeakPolarHBondContact O-CB 3.41Å; F111-K115 PolarHBondContact O-N 2.89Å
112V84.1Confident76Confident61 Ų6160 Ų6037%0.3732%0.32SS..Hα-helixtrans-66.1-40.1-171.4-179.60000111.6D64 Y102 K109 Q116D64-V112 PolarHBondContact OD1-N 3.08Å; Y102-V112 PolarHBondContact OH-N 2.9Å; K109-V112 WeakPolarHBondContact O-CG2 3.42Å; V112-Q116 WeakPolarHBondContact O-CG 3.35Å; V112-Q116 PolarHBondContact O-N 3.15Å; V112-Q116 VanDerWaalsContact O-N 3.08Å
113N89.1Confident77Confident45 Ų4561.9 Ų61.924%0.24134%0.336CS..Hα-helixtrans-72.8-43.8-177.5-53.8-62.4000110.4D64 L67 K115 Q116 Y117D64-N113 PolarHBondContact O-ND2 3.12Å; D64-N113 WeakPolarHBondContact OD1-CA 3.17Å; D64-N113 WeakPolarHBondContact OD1-CB 3.47Å; D64-N113 PolarHBondContact OD1-N 2.77Å; D64-N113 PolarHBondContact OD2-ND2 3.49Å; L67-N113 HydrophobicContact CB-CB 3.83Å; N113-K115 VanDerWaalsContact C-N 3.31Å; N113-K115 PolarHBondContact O-N 3.44Å; N113-Q116 PolarHBondContact O-N 3.28Å; N113-Y117 WeakPolarHBondContact O-CB 3.29Å; N113-Y117 PolarHBondContact O-N 3.33Å
114L91.3Very high78.2Confident0 Ų055.6 Ų55.60%031%0.31CS..Hα-helixtrans-59.6-41.7176178.758000111.7F56 I63 D64 L67 L89 W95 F111 Y117 Y118F56-L114 HydrophobicContact CZ-CD2 4.12Å; I63-L114 HydrophobicContact CB-CD1 4.17Å; I63-L114 HydrophobicContact CG2-CD1 3.62Å; D64-L114 HydrophobicContact CB-CB 4.15Å; D64-L114 PolarHBondContact OD1-N 3.32Å; L67-L114 HydrophobicContact CD1-CD1 4.36Å; L89-L114 HydrophobicContact CD1-CD1 3.77Å; W95-L114 HydrophobicContact CE3-CD2 4.26Å; W95-L114 HydrophobicContact CH2-CD2 4.33Å; W95-L114 HydrophobicContact CH2-CG 3.91Å; W95-L114 HydrophobicContact CZ3-CD2 3.77Å; W95-L114 HydrophobicContact CZ3-CG 3.88Å; F111-L114 HydrophobicContact CB-CB 4.36Å; F111-L114 HydrophobicContact CD1-CD2 4.26Å; L114-Y117 HydrophobicContact CD1-CD1 4.31Å; L114-Y117 PolarHBondContact O-N 3.31Å; L114-Y118 VanDerWaalsContact O-CB 3.32Å; L114-Y118 WeakPolarHBondContact O-CB 3.35Å; L114-Y118 PolarHBondContact O-N 2.77Å
115K87.6Confident79.4Confident33 Ų3354.9 Ų54.914%0.14331%0.308CS..Hα-helixtrans-62.4-51.8175.1178.564.7169.3100.10112.1W95 N99 F111 N113 Y117 Y118 D119W95-K115 HydrophobicContact CH2-CB 4.35Å; W95-K115 HydrophobicContact CH2-CD 4.3Å; N99-K115 WeakPolarHBondContact OD1-CD 2.84Å; N99-K115 WeakPolarHBondContact OD1-CE 3.39Å; N99-K115 PolarHBondContact OD1-NZ 3.11Å; F111-K115 VanDerWaalsContact O-CB 3.32Å; F111-K115 WeakPolarHBondContact O-CB 3.41Å; F111-K115 PolarHBondContact O-N 2.89Å; N113-K115 VanDerWaalsContact C-N 3.31Å; N113-K115 PolarHBondContact O-N 3.44Å; K115-Y117 PolarHBondContact O-N 3.08Å; K115-Y118 PolarHBondContact O-N 3.37Å; K115-D119 IonicContact NZ-OD1 3.46Å; K115-D119 PolarHBondContact NZ-OD1 2.75Å; K115-D119 IonicContact NZ-OD2 2.69Å; K115-D119 PolarHBondContact NZ-OD2 3.24Å; K115-D119 WeakPolarHBondContact O-CB 3.33Å; K115-D119 PolarHBondContact O-N 3.44Å
116Q88Confident80.4Confident102 Ų10252.3 Ų52.348%0.47730%0.297SS..Hα-helixtrans-59.7-39.5178.4-73.5179.524.900111.7V112 N113 R120V112-Q116 WeakPolarHBondContact O-CG 3.35Å; V112-Q116 PolarHBondContact O-N 3.15Å; V112-Q116 VanDerWaalsContact O-N 3.08Å; N113-Q116 PolarHBondContact O-N 3.28Å; Q116-R120 VanDerWaalsContact O-CB 3.23Å; Q116-R120 WeakPolarHBondContact O-CB 3.49Å; Q116-R120 PolarHBondContact O-N 3.17Å
117Y93.1Very high81.9Confident1 Ų150 Ų500%0.00427%0.273CS..Hα-helixtrans-64-50.7175.9170.6-102.6000112.3L67 D82 I85 N113 L114 K115 D119 R120 L121L67-Y117 VanDerWaalsContact CD1-CB 3.46Å; L67-Y117 HydrophobicContact CD1-CD1 3.73Å; L67-Y117 HydrophobicContact CD1-CD2 4.09Å; L67-Y117 HydrophobicContact CD1-CE1 4.43Å; L67-Y117 HydrophobicContact CD1-CG 3.5Å; L67-Y117 VanDerWaalsContact CD1-CG 3.5Å; L67-Y117 HydrophobicContact CD2-CD1 4.43Å; L67-Y117 HydrophobicContact CD2-CD2 3.42Å; L67-Y117 VanDerWaalsContact CD2-CD2 3.42Å; L67-Y117 HydrophobicContact CD2-CE2 3.76Å; L67-Y117 HydrophobicContact CD2-CG 3.76Å; L67-Y117 HydrophobicContact CG-CD2 4.4Å; L67-Y117 HydrophobicContact CG-CG 4.28Å; D82-Y117 WeakPolarHBondContact CA-OH 3.37Å; D82-Y117 VanDerWaalsContact CB-OH 3.29Å; D82-Y117 WeakPolarHBondContact CB-OH 3.48Å; D82-Y117 VanDerWaalsContact OD1-CE2 3.22Å; D82-Y117 WeakPolarHBondContact OD1-CE2 3.36Å; D82-Y117 PolarHBondContact OD1-OH 3.41Å; I85-Y117 HydrophobicContact CG2-CE1 3.95Å; N113-Y117 WeakPolarHBondContact O-CB 3.29Å; N113-Y117 PolarHBondContact O-N 3.33Å; L114-Y117 HydrophobicContact CD1-CD1 4.31Å; L114-Y117 PolarHBondContact O-N 3.31Å; K115-Y117 PolarHBondContact O-N 3.08Å; Y117-D119 PolarHBondContact O-N 2.93Å; Y117-R120 WeakPolarHBondContact O-CB 3.48Å; Y117-R120 PolarHBondContact O-N 3.24Å; Y117-L121 HydrophobicContact CD1-CD1 4.22Å; Y117-L121 HydrophobicContact CD2-CD1 4.49Å; Y117-L121 HydrophobicContact CD2-CG 4.41Å; Y117-L121 HydrophobicContact CE1-CD1 3.57Å; Y117-L121 HydrophobicContact CE1-CG 4.38Å; Y117-L121 HydrophobicContact CE2-CD1 3.88Å; Y117-L121 HydrophobicContact CE2-CD2 4.31Å; Y117-L121 HydrophobicContact CE2-CG 4.13Å; Y117-L121 VanDerWaalsContact CZ-CD1 3.41Å; Y117-L121 WeakPolarHBondContact O-CG 3.38Å; Y117-L121 PolarHBondContact O-N 2.78Å
118Y92Very high83.6Confident2 Ų252.7 Ų52.71%0.00827%0.271CS..Hα-helixtrans-61.1-43.5178.3176.6-95.1000112.1W86 L89 E90 W95 L114 K115 R120 L121 I122 K131W86-Y118 AromaticContact CD1-CD2 3.67Å; W86-Y118 AromaticContact CD1-CE2 3.8Å; W86-Y118 AromaticContact NE1-CD2 3.9Å; W86-Y118 AromaticContact NE1-CE2 3.6Å; L89-Y118 HydrophobicContact CB-CD2 4.14Å; L89-Y118 HydrophobicContact CB-CE2 4.19Å; L89-Y118 HydrophobicContact CD1-CD2 4.11Å; E90-Y118 PolarHBondContact OE2-OH 3.48Å; W95-Y118 AromaticContact CD1-CE2 3.98Å; W95-Y118 AromaticContact CE2-CD1 3.98Å; W95-Y118 AromaticContact CE2-CD2 3.95Å; W95-Y118 AromaticContact CE2-CG 3.82Å; W95-Y118 AromaticContact CZ2-CD1 3.63Å; W95-Y118 HydrophobicContact CZ2-CD1 3.63Å; W95-Y118 HydrophobicContact CZ2-CD2 4.09Å; W95-Y118 HydrophobicContact CZ2-CE1 4.26Å; W95-Y118 AromaticContact CZ2-CG 3.5Å; W95-Y118 HydrophobicContact CZ2-CG 3.5Å; W95-Y118 AromaticContact NE1-CD1 3.69Å; W95-Y118 AromaticContact NE1-CD2 3.37Å; W95-Y118 AromaticContact NE1-CE1 3.51Å; W95-Y118 AromaticContact NE1-CE2 3.24Å; W95-Y118 AromaticContact NE1-CG 3.6Å; W95-Y118 AromaticContact NE1-CZ 3.3Å; W95-Y118 VanDerWaalsContact NE1-CZ 3.3Å; L114-Y118 VanDerWaalsContact O-CB 3.32Å; L114-Y118 WeakPolarHBondContact O-CB 3.35Å; L114-Y118 PolarHBondContact O-N 2.77Å; K115-Y118 PolarHBondContact O-N 3.37Å; Y118-R120 VanDerWaalsContact C-N 3.34Å; Y118-R120 PolarHBondContact O-N 3.38Å; Y118-L121 PolarHBondContact O-N 2.94Å; Y118-I122 HydrophobicContact CD1-CD1 3.72Å; Y118-I122 HydrophobicContact CE1-CD1 3.2Å; Y118-I122 HydrophobicContact CE1-CG1 4.39Å; Y118-I122 HydrophobicContact CE2-CD1 4.24Å; Y118-I122 HydrophobicContact CG-CD1 4.44Å; Y118-I122 VanDerWaalsContact CZ-CD1 3.49Å; Y118-I122 WeakPolarHBondContact O-CG1 3.41Å; Y118-I122 PolarHBondContact O-N 3.39Å; Y118-I122 VanDerWaalsContact O-N 3.13Å; Y118-K131 PolarHBondContact OH-NZ 3.36Å; Y118-K131 VanDerWaalsContact OH-NZ 3.1Å
119D89.7Confident85.1Confident67 Ų6755 Ų5536%0.35828%0.277SS..Hα-helixtrans-61.1-43.5175-72.8-14.7000111.7K115 Y117 I122 T123K115-D119 IonicContact NZ-OD1 3.46Å; K115-D119 PolarHBondContact NZ-OD1 2.75Å; K115-D119 IonicContact NZ-OD2 2.69Å; K115-D119 PolarHBondContact NZ-OD2 3.24Å; K115-D119 WeakPolarHBondContact O-CB 3.33Å; K115-D119 PolarHBondContact O-N 3.44Å; Y117-D119 PolarHBondContact O-N 2.93Å; D119-I122 PolarHBondContact O-N 3.27Å; D119-T123 WeakPolarHBondContact O-CG2 3.17Å; D119-T123 PolarHBondContact O-N 3.34Å
120R90.5Very high86.3Confident84 Ų8446.9 Ų46.932%0.31724%0.242SC..Hα-helixtrans-60.4-46.6176.2-177-176.1-58.21318.1111.1T71 Q116 Y117 Y118 I122 T123T71-R120 PolarHBondContact O-NH1 3.18Å; Q116-R120 VanDerWaalsContact O-CB 3.23Å; Q116-R120 WeakPolarHBondContact O-CB 3.49Å; Q116-R120 PolarHBondContact O-N 3.17Å; Y117-R120 WeakPolarHBondContact O-CB 3.48Å; Y117-R120 PolarHBondContact O-N 3.24Å; Y118-R120 VanDerWaalsContact C-N 3.34Å; Y118-R120 PolarHBondContact O-N 3.38Å; R120-I122 VanDerWaalsContact C-N 3.3Å; R120-I122 PolarHBondContact O-N 3.36Å; R120-T123 WeakPolarHBondContact O-CB 3.49Å; R120-T123 PolarHBondContact O-N 3.48Å; R120-T123 PolarHBondContact O-OG1 3.3Å
121L90.9Very high87.2Confident0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-62.1-37.3179.9-68.4-169.6000112.1Y72 F78 D82 W86 Y117 Y118 T123 L124 V127Y72-L121 HydrophobicContact CD1-CD2 4Å; Y72-L121 HydrophobicContact CE1-CD2 3.72Å; F78-L121 HydrophobicContact CD2-CD2 3.75Å; F78-L121 HydrophobicContact CE2-CD2 3.74Å; D82-L121 HydrophobicContact CB-CD1 4.27Å; D82-L121 HydrophobicContact CB-CD2 4.46Å; W86-L121 HydrophobicContact CB-CD1 3.62Å; W86-L121 HydrophobicContact CG-CB 4.27Å; W86-L121 HydrophobicContact CG-CD1 4.14Å; Y117-L121 HydrophobicContact CD1-CD1 4.22Å; Y117-L121 HydrophobicContact CD2-CD1 4.49Å; Y117-L121 HydrophobicContact CD2-CG 4.41Å; Y117-L121 HydrophobicContact CE1-CD1 3.57Å; Y117-L121 HydrophobicContact CE1-CG 4.38Å; Y117-L121 HydrophobicContact CE2-CD1 3.88Å; Y117-L121 HydrophobicContact CE2-CD2 4.31Å; Y117-L121 HydrophobicContact CE2-CG 4.13Å; Y117-L121 VanDerWaalsContact CZ-CD1 3.41Å; Y117-L121 WeakPolarHBondContact O-CG 3.38Å; Y117-L121 PolarHBondContact O-N 2.78Å; Y118-L121 PolarHBondContact O-N 2.94Å; L121-T123 PolarHBondContact O-N 2.88Å; L121-L124 HydrophobicContact CD2-CD1 3.86Å; L121-L124 WeakPolarHBondContact O-CB 3.39Å; L121-L124 PolarHBondContact O-N 3.08Å; L121-V127 WeakPolarHBondContact O-CB 3.47Å; L121-V127 WeakPolarHBondContact O-CG1 3.42Å
122I89.2Confident87.1Confident39 Ų3950 Ų5020%0.225%0.254CS..Hα-helixtrans-63-22.7174.6-70.6170.1000112.8W86 Y118 D119 R120 L124 R128W86-I122 HydrophobicContact CZ2-CG1 4.49Å; Y118-I122 HydrophobicContact CD1-CD1 3.72Å; Y118-I122 HydrophobicContact CE1-CD1 3.2Å; Y118-I122 HydrophobicContact CE1-CG1 4.39Å; Y118-I122 HydrophobicContact CE2-CD1 4.24Å; Y118-I122 HydrophobicContact CG-CD1 4.44Å; Y118-I122 VanDerWaalsContact CZ-CD1 3.49Å; Y118-I122 WeakPolarHBondContact O-CG1 3.41Å; Y118-I122 PolarHBondContact O-N 3.39Å; Y118-I122 VanDerWaalsContact O-N 3.13Å; D119-I122 PolarHBondContact O-N 3.27Å; R120-I122 VanDerWaalsContact C-N 3.3Å; R120-I122 PolarHBondContact O-N 3.36Å; I122-L124 VanDerWaalsContact C-N 3.27Å; I122-L124 PolarHBondContact O-N 3.27Å; I122-R128 PolarHBondContact O-NE 2.95Å
123T87.6Confident86.8Confident84 Ų8448.7 Ų48.752%0.51524%0.244SC..Hα-helixtrans-71.6-21.817572.80000113.1D119 R120 L121 R128D119-T123 WeakPolarHBondContact O-CG2 3.17Å; D119-T123 PolarHBondContact O-N 3.34Å; R120-T123 WeakPolarHBondContact O-CB 3.49Å; R120-T123 PolarHBondContact O-N 3.48Å; R120-T123 PolarHBondContact O-OG1 3.3Å; L121-T123 PolarHBondContact O-N 2.88Å; T123-R128 PolarHBondContact O-NH2 2.83Å
124L87.5Confident86.4Confident37 Ų3746.5 Ų46.519%0.19423%0.233CC..SBendtrans-69.6129179-61.8173.4000110.5Y72 F78 L121 I122 S126 V127 R128Y72-L124 HydrophobicContact CE1-CD1 4.49Å; F78-L124 HydrophobicContact CD2-CD1 3.66Å; F78-L124 HydrophobicContact CE2-CD1 3.85Å; F78-L124 HydrophobicContact CG-CD1 4.07Å; F78-L124 HydrophobicContact CZ-CD1 4.42Å; L121-L124 HydrophobicContact CD2-CD1 3.86Å; L121-L124 WeakPolarHBondContact O-CB 3.39Å; L121-L124 PolarHBondContact O-N 3.08Å; I122-L124 VanDerWaalsContact C-N 3.27Å; I122-L124 PolarHBondContact O-N 3.27Å; L124-S126 VanDerWaalsContact C-N 3.26Å; L124-S126 PolarHBondContact O-N 2.95Å; L124-V127 HydrophobicContact CB-CB 4.17Å; L124-V127 HydrophobicContact CB-CG2 3.97Å; L124-V127 HydrophobicContact CD1-CG2 4.15Å; L124-V127 PolarHBondContact O-N 3.28Å; L124-V127 VanDerWaalsContact O-N 3.16Å; L124-R128 PolarHBondContact O-N 2.99Å
125P82.4Confident85.7Confident107 Ų10754 Ų5470%0.69526%0.262SS*.Hα-helixtrans-56.1-38.8-178.3-27.434.5000113.9K129P125-K129 PolarHBondContact O-N 3.45Å; P125-K129 VanDerWaalsContact O-N 3.13Å
126S80.7Confident84.9Confident30 Ų3057.8 Ų57.821%0.2128%0.28CS..Hα-helixtrans-59.5-49.6176.436.90000112.4L124 K129 L130L124-S126 VanDerWaalsContact C-N 3.26Å; L124-S126 PolarHBondContact O-N 2.95Å; S126-K129 PolarHBondContact O-N 2.82Å; S126-L130 PolarHBondContact O-N 3.14Å; S126-L130 VanDerWaalsContact O-N 3.14Å
127V85.7Confident84Confident0 Ų053.8 Ų53.80%026%0.264CS..Hα-helixtrans-69.4-40.6-178.1176.40000111.1F78 W86 L121 L124 K129 L130 K131F78-V127 HydrophobicContact CE2-CG2 4.34Å; F78-V127 HydrophobicContact CZ-CG2 4.09Å; W86-V127 HydrophobicContact CD2-CG1 3.36Å; W86-V127 HydrophobicContact CE3-CG1 3.76Å; W86-V127 HydrophobicContact CG-CG1 3.96Å; W86-V127 HydrophobicContact CH2-CG1 3.78Å; W86-V127 HydrophobicContact CZ2-CG1 3.38Å; W86-V127 HydrophobicContact CZ3-CG1 3.96Å; L121-V127 WeakPolarHBondContact O-CB 3.47Å; L121-V127 WeakPolarHBondContact O-CG1 3.42Å; L124-V127 HydrophobicContact CB-CB 4.17Å; L124-V127 HydrophobicContact CB-CG2 3.97Å; L124-V127 HydrophobicContact CD1-CG2 4.15Å; L124-V127 PolarHBondContact O-N 3.28Å; L124-V127 VanDerWaalsContact O-N 3.16Å; V127-K129 VanDerWaalsContact C-N 3.33Å; V127-K129 PolarHBondContact O-N 2.7Å; V127-L130 PolarHBondContact O-N 3.29Å; V127-K131 PolarHBondContact O-N 2.99Å
128R84.2Confident82.7Confident137 Ų13759.2 Ų59.252%0.51728%0.284SS..Hα-helixtrans-61.4-40.9176.8-166.7-178.5-60.9163.12.5112.1I122 T123 L124 K131 T132I122-R128 PolarHBondContact O-NE 2.95Å; T123-R128 PolarHBondContact O-NH2 2.83Å; L124-R128 PolarHBondContact O-N 2.99Å; R128-K131 WeakPolarHBondContact O-CB 3.4Å; R128-K131 PolarHBondContact O-N 3.37Å; R128-T132 PolarHBondContact O-N 2.85Å; R128-T132 PolarHBondContact O-OG1 3.05Å
129K82.8Confident80.8Confident90 Ų9064.4 Ų64.439%0.39131%0.312SS..Hα-helixtrans-62.6-46.2174.6-167.8-166.7179.2-1530111S23 L26 P125 S126 V127 K131 T132 E133S23-K129 PolarHBondContact OG-NZ 3.02Å; L26-K129 HydrophobicContact CD2-CD 3.6Å; P125-K129 PolarHBondContact O-N 3.45Å; P125-K129 VanDerWaalsContact O-N 3.13Å; S126-K129 PolarHBondContact O-N 2.82Å; V127-K129 VanDerWaalsContact C-N 3.33Å; V127-K129 PolarHBondContact O-N 2.7Å; K129-K131 VanDerWaalsContact C-N 3.27Å; K129-K131 PolarHBondContact O-N 3.19Å; K129-T132 PolarHBondContact O-N 3.39Å; K129-E133 WeakPolarHBondContact CE-OE1 3.23Å; K129-E133 IonicContact NZ-OE1 3.85Å; K129-E133 PolarHBondContact O-N 2.8Å
130L83.7Confident78.7Confident1 Ų167.4 Ų67.41%0.00532%0.323CS..Hα-helixtrans-61-37.4178.3-164.866.5000111.7L19 L24 A27 L83 W86 S126 V127 T132 E133 I134L19-L130 HydrophobicContact CD1-CD1 4.06Å; L19-L130 HydrophobicContact CD2-CD1 4.23Å; L19-L130 HydrophobicContact CG-CD1 4.48Å; L24-L130 HydrophobicContact CD1-CD1 4.22Å; L24-L130 HydrophobicContact CD1-CD2 4.48Å; A27-L130 HydrophobicContact CB-CD2 4.39Å; L83-L130 HydrophobicContact CD1-CD2 3.8Å; W86-L130 HydrophobicContact CE3-CD2 4.43Å; W86-L130 HydrophobicContact CH2-CB 4.45Å; W86-L130 HydrophobicContact CZ3-CB 4.18Å; W86-L130 HydrophobicContact CZ3-CD2 3.83Å; W86-L130 HydrophobicContact CZ3-CG 4.13Å; S126-L130 PolarHBondContact O-N 3.14Å; S126-L130 VanDerWaalsContact O-N 3.14Å; V127-L130 PolarHBondContact O-N 3.29Å; L130-T132 PolarHBondContact O-N 2.89Å; L130-E133 PolarHBondContact O-N 2.84Å; L130-I134 HydrophobicContact CG-CD1 4.1Å; L130-I134 HydrophobicContact CG-CG1 4.49Å; L130-I134 WeakPolarHBondContact O-CB 3.23Å; L130-I134 VanDerWaalsContact O-CG1 3.25Å; L130-I134 WeakPolarHBondContact O-CG1 3.26Å; L130-I134 PolarHBondContact O-N 2.95Å
131K86.3Confident76Confident56 Ų5669.1 Ų69.124%0.24335%0.345CS..Hα-helixtrans-59.1-46.6175.8-171.6172.8179.11190112.7W86 E90 Y118 V127 R128 K129 E133 I134 Y135W86-K131 HydrophobicContact CH2-CB 3.65Å; W86-K131 HydrophobicContact CH2-CG 4.31Å; W86-K131 HydrophobicContact CZ2-CB 3.77Å; W86-K131 HydrophobicContact CZ2-CD 4.25Å; W86-K131 HydrophobicContact CZ2-CG 4.13Å; E90-K131 VanDerWaalsContact CD-NZ 3.29Å; E90-K131 HydrophobicContact CG-CG 4.47Å; E90-K131 WeakPolarHBondContact OE1-CE 3.46Å; E90-K131 IonicContact OE1-NZ 3.53Å; E90-K131 PolarHBondContact OE1-NZ 2.78Å; E90-K131 IonicContact OE2-NZ 3.03Å; E90-K131 PolarHBondContact OE2-NZ 2.83Å; Y118-K131 PolarHBondContact OH-NZ 3.36Å; Y118-K131 VanDerWaalsContact OH-NZ 3.1Å; V127-K131 PolarHBondContact O-N 2.99Å; R128-K131 WeakPolarHBondContact O-CB 3.4Å; R128-K131 PolarHBondContact O-N 3.37Å; K129-K131 VanDerWaalsContact C-N 3.27Å; K129-K131 PolarHBondContact O-N 3.19Å; K131-E133 VanDerWaalsContact C-N 3.33Å; K131-E133 PolarHBondContact O-N 3.05Å; K131-I134 PolarHBondContact O-N 3.32Å; K131-Y135 PolarHBondContact O-N 3.28Å
132T81.9Confident73.6Confident74 Ų7479.3 Ų79.345%0.45438%0.384SS..Hα-helixtrans-60.7-44.1178.3-50.50000110.9R128 K129 L130 Y135 E136R128-T132 PolarHBondContact O-N 2.85Å; R128-T132 PolarHBondContact O-OG1 3.05Å; K129-T132 PolarHBondContact O-N 3.39Å; L130-T132 PolarHBondContact O-N 2.89Å; T132-Y135 WeakPolarHBondContact O-CB 3.46Å; T132-Y135 PolarHBondContact O-N 3.36Å; T132-E136 WeakPolarHBondContact O-CG 3.45Å; T132-E136 PolarHBondContact O-N 3.05Å
133E78.6Confident70.7Confident33 Ų3380.6 Ų80.615%0.15441%0.407CS..Hα-helixtrans-70.1-36179.2-69.6-178.2-158.800113.3L19 S23 K129 L130 K131 Y135 E136 S137L19-E133 HydrophobicContact CD1-CB 4.04Å; S23-E133 VanDerWaalsContact CB-CD 3.48Å; S23-E133 WeakPolarHBondContact CB-OE1 3.4Å; S23-E133 WeakPolarHBondContact CB-OE2 3.44Å; S23-E133 PolarHBondContact OG-OE1 3.3Å; S23-E133 PolarHBondContact OG-OE2 3.09Å; K129-E133 WeakPolarHBondContact CE-OE1 3.23Å; K129-E133 IonicContact NZ-OE1 3.85Å; K129-E133 PolarHBondContact O-N 2.8Å; L130-E133 PolarHBondContact O-N 2.84Å; K131-E133 VanDerWaalsContact C-N 3.33Å; K131-E133 PolarHBondContact O-N 3.05Å; E133-Y135 VanDerWaalsContact C-N 3.27Å; E133-Y135 PolarHBondContact O-N 3.37Å; E133-E136 PolarHBondContact O-N 3.33Å; E133-S137 WeakPolarHBondContact O-CB 3.37Å; E133-S137 PolarHBondContact O-N 3.39Å; E133-S137 PolarHBondContact O-OG 2.94Å
134I80.6Confident67.8Low0 Ų082.1 Ų82.10%042%0.416CS..Hα-helixtrans-60.5-42.2171.9-72172000110L16 L19 W86 T87 E90 I91 L130 K131 S137 R138L16-I134 HydrophobicContact CD1-CD1 4.16Å; L16-I134 HydrophobicContact CD1-CG1 3.81Å; L16-I134 HydrophobicContact CD1-CG2 4.36Å; L16-I134 HydrophobicContact CD2-CG2 4.05Å; L19-I134 HydrophobicContact CD1-CG1 3.84Å; W86-I134 HydrophobicContact CH2-CD1 4.11Å; W86-I134 HydrophobicContact CZ3-CD1 3.85Å; T87-I134 HydrophobicContact CG2-CD1 3.89Å; E90-I134 HydrophobicContact CG-CD1 4.36Å; E90-I134 HydrophobicContact CG-CG2 4.27Å; I91-I134 HydrophobicContact CG2-CG2 3.98Å; L130-I134 HydrophobicContact CG-CD1 4.1Å; L130-I134 HydrophobicContact CG-CG1 4.49Å; L130-I134 WeakPolarHBondContact O-CB 3.23Å; L130-I134 VanDerWaalsContact O-CG1 3.25Å; L130-I134 WeakPolarHBondContact O-CG1 3.26Å; L130-I134 PolarHBondContact O-N 2.95Å; K131-I134 PolarHBondContact O-N 3.32Å; I134-S137 PolarHBondContact O-OG 3.1Å; I134-R138 PolarHBondContact O-N 2.88Å
135Y76.4Confident64.8Low157 Ų15784.1 Ų84.162%0.61643%0.433SS*.Hα-helixtrans-65.1-44.7177.1-175.9-100.1000111.7K131 T132 E133 R138 L139K131-Y135 PolarHBondContact O-N 3.28Å; T132-Y135 WeakPolarHBondContact O-CB 3.46Å; T132-Y135 PolarHBondContact O-N 3.36Å; E133-Y135 VanDerWaalsContact C-N 3.27Å; E133-Y135 PolarHBondContact O-N 3.37Å; Y135-R138 PolarHBondContact O-N 2.99Å; Y135-L139 HydrophobicContact CD1-CD1 3.74Å; Y135-L139 HydrophobicContact CE1-CD1 3.36Å; Y135-L139 HydrophobicContact CE1-CG 4.39Å; Y135-L139 PolarHBondContact O-N 2.99Å
136E71.6Confident62.1Low112 Ų11285 Ų8552%0.52344%0.436SS..Hα-helixtrans-63.4-42.9175.8-72.9175.6-175.300112.8T132 E133 R138 L139 Q140T132-E136 WeakPolarHBondContact O-CG 3.45Å; T132-E136 PolarHBondContact O-N 3.05Å; E133-E136 PolarHBondContact O-N 3.33Å; E136-R138 PolarHBondContact O-N 3.47Å; E136-L139 PolarHBondContact O-N 2.98Å; E136-L139 VanDerWaalsContact O-N 3.11Å; E136-Q140 PolarHBondContact O-N 3.38Å
137S68.3Low59.5Low19 Ų1991 Ų9113%0.13347%0.466CS..Hα-helixtrans-64.4-27.9177.773.60000112.9E133 I134E133-S137 WeakPolarHBondContact O-CB 3.37Å; E133-S137 PolarHBondContact O-N 3.39Å; E133-S137 PolarHBondContact O-OG 2.94Å; I134-S137 PolarHBondContact O-OG 3.1Å
138R65.3Low56.6Low114 Ų11495 Ų9543%0.4349%0.494SS..Hα-helixtrans-81.6-21.8174.9-78.4-165.9-100.8-174.6-2.5113.4L16 E90 I134 Y135 E136L16-R138 HydrophobicContact CD2-CG 4.22Å; E90-R138 PolarHBondContact O-NH2 3.1Å; I134-R138 PolarHBondContact O-N 2.88Å; Y135-R138 PolarHBondContact O-N 2.99Å; E136-R138 PolarHBondContact O-N 3.47Å
139L53.2Low53.7Low112 Ų11296.6 Ų96.659%0.58651%0.507SS*.Hα-helixtrans-79.2-22173.9-82.4162.8000112.8Y135 E136 P141Y135-L139 HydrophobicContact CD1-CD1 3.74Å; Y135-L139 HydrophobicContact CE1-CD1 3.36Å; Y135-L139 HydrophobicContact CE1-CG 4.39Å; Y135-L139 PolarHBondContact O-N 2.99Å; E136-L139 PolarHBondContact O-N 2.98Å; E136-L139 VanDerWaalsContact O-N 3.11Å; L139-P141 WeakPolarHBondContact O-CD 3.4Å
140Q45.8Very low50.9Low130 Ų13097.6 Ų97.661%0.60752%0.523SS*.SBendtrans-63.5124.3172.9-70.4-167.61.200109E136 R142E136-Q140 PolarHBondContact O-N 3.38Å; Q140-R142 PolarHBondContact O-N 2.98Å; Q140-R142 VanDerWaalsContact O-N 3.08Å
141P34.2Very low48.1Very low120 Ų120103.3 Ų103.378%0.77956%0.56SS**  trans-52.6124.4176.1-19.828.6000107.3L139 G143L139-P141 WeakPolarHBondContact O-CD 3.4Å; P141-G143 PolarHBondContact O-N 3.42Å
142R38.6Very low45.2Very low213 Ų213105 Ų10580%0.80458%0.579SS**  trans-58.196160.7-80.9-177177177.4-2.2104.7Q140 V144Q140-R142 PolarHBondContact O-N 2.98Å; Q140-R142 VanDerWaalsContact O-N 3.08Å; R142-V144 PolarHBondContact O-N 3.34Å
143G28.8Very low42.5Very low67 Ų67107.9 Ų107.969%0.69159%0.592SS**  trans-61.686.1167.700000105.4P141 S145P141-G143 PolarHBondContact O-N 3.42Å; G143-S145 PolarHBondContact O-N 3.3Å
144V26.6Very low40.1Very low116 Ų116112.9 Ų112.970%0.70363%0.625SS**  trans-66.287.4159-178.60000102.5R142 V146R142-V144 PolarHBondContact O-N 3.34Å; V144-V146 HydrophobicContact CG1-CG2 4.16Å; V144-V146 PolarHBondContact O-N 2.79Å
145S25.8Very low37.8Very low79 Ų79120.7 Ų120.755%0.55267%0.665SS**  trans-61.298.8163.457.50000105G143 N147G143-S145 PolarHBondContact O-N 3.3Å; S145-N147 PolarHBondContact O-N 3.22Å
146V26Very low35.6Very low126 Ų126114.4 Ų114.476%0.76465%0.648SS**THydrogen-bonded Turntrans-621.3171.6-177.80000111.2V144V144-V146 HydrophobicContact CG1-CG2 4.16Å; V144-V146 PolarHBondContact O-N 2.79Å
147N25.4Very low33.6Very low154 Ų154117.1 Ų117.182%0.82466%0.658SS**THydrogen-bonded Turntrans-119.824.7-171.5-65-15.8000115S145S145-N147 PolarHBondContact O-N 3.22Å
148S25Very low31.6Very low86 Ų86120 Ų12060%0.60167%0.674SS**  trans-104.686.9160.456.70000108.1
149E22Very low30Very low170 Ų170120.2 Ų120.279%0.79468%0.68SS**  trans-46.6129.3161.3-73.8-178.415500107.9
150P24.8Very low29Very low110 Ų110118.8 Ų118.871%0.71469%0.685SS**  trans-53.6138.917620.4-30.1000108.9S152P150-S152 PolarHBondContact O-N 2.83Å
151P24.6Very low28.5Very low122 Ų122116.6 Ų116.679%0.79268%0.683SS**  trans-50.9113.9-168.717.5-30.2000110.5N153P151-N153 PolarHBondContact O-N 2.87Å
152S24.7Very low28.5Very low91 Ų91116.6 Ų116.664%0.63668%0.677SS**SBendtrans-74.116.8-164.557.10000115.3P150P150-S152 PolarHBondContact O-N 2.83Å
153N26.1Very low28.5Very low135 Ų135110.1 Ų110.172%0.72266%0.657SS**SBendtrans-139.269.9-169-78.9-22.1000112.8P151P151-N153 PolarHBondContact O-N 2.87Å
154T28.3Very low28.7Very low138 Ų138114 Ų11485%0.84766%0.661SS**SBendtrans-164.9-10.6146.8-11.90000116.1G156T154-G156 PolarHBondContact O-N 3.16Å
155I31.4Very low29.6Very low164 Ų164113.1 Ų113.184%0.84165%0.648SS**SBendtrans-86.2106.6170.1-57.3175.9000107.1K157I155-K157 PolarHBondContact O-N 2.87Å; I155-K157 VanDerWaalsContact O-N 3.11Å
156G32.2Very low30.1Very low25 Ų25118.4 Ų118.426%0.25866%0.664SS.*  trans-46.4118.8179.800000111T154 T158T154-G156 PolarHBondContact O-N 3.16Å; G156-T158 PolarHBondContact O-N 3.1Å
157K27.8Very low30.9Very low168 Ų168119.5 Ų119.573%0.7366%0.658SS**  trans-62.777.6173.8-66.6176.8179174.50109.5I155 H159I155-K157 PolarHBondContact O-N 2.87Å; I155-K157 VanDerWaalsContact O-N 3.11Å; K157-H159 PolarHBondContact O-N 3.09Å
158T27.8Very low31.9Very low79 Ų79113.9 Ų113.949%0.48564%0.636SS.*  trans-76.7100.9154.132.70000105.4G156 A160G156-T158 PolarHBondContact O-N 3.1Å; T158-A160 PolarHBondContact O-N 3.33Å
159H30.9Very low33.2Very low120 Ų120110.4 Ų110.456%0.55661%0.614SS**  trans-58.9136.1175.7-86.1-95.1000108.8K157 S161 D162K157-H159 PolarHBondContact O-N 3.09Å; H159-S161 WeakPolarHBondContact CB-OG 3.46Å; H159-S161 PolarHBondContact O-N 3.49Å; H159-D162 PolarHBondContact O-N 3.06Å
160A33Very low34.9Very low82 Ų82110.9 Ų110.968%0.67861%0.614SS**THydrogen-bonded Turntrans-54.9-15.7174.600000113.5T158T158-A160 PolarHBondContact O-N 3.33Å
161S33.7Very low37Very low83 Ų83108.4 Ų108.458%0.5859%0.592SS**THydrogen-bonded Turntrans-74.2-23.3173.8550000114.4H159H159-S161 WeakPolarHBondContact CB-OG 3.46Å; H159-S161 PolarHBondContact O-N 3.49Å
162D36.1Very low38.8Very low121 Ų121104.6 Ų104.665%0.64758%0.575SS**THydrogen-bonded Turntrans-86.3-22.1-173.3-64.3-10.7000111.8H159 L164H159-D162 PolarHBondContact O-N 3.06Å; D162-L164 PolarHBondContact O-N 2.72Å
163M37.2Very low41.2Very low76 Ų76109.1 Ų109.137%0.37459%0.586SS.*SBendtrans-99.879173.9-67.5-78.1-173.800109F165 P486M163-F165 HydrophobicContact CB-CD2 3.93Å; M163-F165 HydrophobicContact CB-CE2 4.11Å; M163-F165 PolarHBondContact O-N 3.2Å; M163-F165 HydrophobicContact SD-CE2 4.02Å; M163-P486 HydrophobicContact CE-CG 4.08Å
164L33.3Very low44Very low148 Ų148103.1 Ų103.178%0.77555%0.554SS**  trans-60.473.4176.1-76.9156.3000112.4D162D162-L164 PolarHBondContact O-N 2.72Å
165F44.9Very low46.8Very low99 Ų9999.9 Ų99.943%0.43454%0.535SS..  trans-10424.1173.8-72.5-74.6000113.2M163 K167 G168 K482M163-F165 HydrophobicContact CB-CD2 3.93Å; M163-F165 HydrophobicContact CB-CE2 4.11Å; M163-F165 PolarHBondContact O-N 3.2Å; M163-F165 HydrophobicContact SD-CE2 4.02Å; F165-K167 PolarHBondContact O-N 2.59Å; F165-G168 PolarHBondContact O-N 3.35Å; F165-K482 HydrophobicContact CZ-CD 4.45Å
166E36.8Very low49.5Very low189 Ų18995.6 Ų95.688%0.88353%0.532SS*.  trans-68.54.3177.3-83.3-169.6166.700115.6G168E166-G168 PolarHBondContact O-N 2.78Å
167K42.4Very low52.1Low150 Ų15095.7 Ų95.765%0.65253%0.53SS*.SBendtrans-80.638.2163.7-71.9-172.4175.3-179.40111.6F165 Q834F165-K167 PolarHBondContact O-N 2.59Å; K167-Q834 PolarHBondContact NZ-O 3.3Å
168G46.4Very low55Low35 Ų3595.3 Ų95.336%0.36152%0.524SS..  trans-57.4167.5-176.200000113F165 E166F165-G168 PolarHBondContact O-N 3.35Å; E166-G168 PolarHBondContact O-N 2.78Å
169G52.6Low57.9Low14 Ų1496.2 Ų96.214%0.14453%0.529CS..SBendtrans-50.9164.5-175.600000113.1F171 L460 A461G169-F171 VanDerWaalsContact C-N 3.31Å; G169-F171 WeakPolarHBondContact O-CD2 3.49Å; G169-F171 WeakPolarHBondContact O-CE2 3.23Å; G169-F171 PolarHBondContact O-N 3.39Å; G169-L460 WeakPolarHBondContact CA-O 3.44Å; G169-L460 PolarHBondContact N-O 3.19Å; G169-A461 WeakPolarHBondContact CA-O 3.42Å
170K59.1Low60.7Low179 Ų17992.6 Ų92.678%0.77852%0.524SS*.  trans-65.792.9176.9-69-177-178.2177.10109.5S464K170-S464 PolarHBondContact O-N 3.48Å
171F67.4Low63.6Low59 Ų5993.9 Ų93.926%0.25952%0.516SS..PPolyproline II helixtrans-79117164.5-61.3-78.9000107.1G169 L204 H207 L460G169-F171 VanDerWaalsContact C-N 3.31Å; G169-F171 WeakPolarHBondContact O-CD2 3.49Å; G169-F171 WeakPolarHBondContact O-CE2 3.23Å; G169-F171 PolarHBondContact O-N 3.39Å; F171-L204 HydrophobicContact CE1-CD2 4.01Å; F171-H207 AromaticContact CD1-CD2 3.57Å; F171-H207 AromaticContact CD1-NE2 3.63Å; F171-H207 AromaticContact CD2-NE2 3.85Å; F171-H207 AromaticContact CE1-CD2 3.26Å; F171-H207 WeakPolarHBondContact CE1-CD2 3.3Å; F171-H207 AromaticContact CE1-NE2 3.39Å; F171-H207 WeakPolarHBondContact CE1-NE2 3.39Å; F171-H207 AromaticContact CE2-NE2 3.63Å; F171-H207 AromaticContact CG-NE2 3.85Å; F171-H207 AromaticContact CZ-CD2 3.71Å; F171-H207 AromaticContact CZ-NE2 3.38Å; F171-H207 WeakPolarHBondContact CZ-NE2 3.4Å; F171-L460 HydrophobicContact CE1-CD2 4.07Å; F171-L460 WeakPolarHBondContact CE2-O 3.21Å; F171-L460 HydrophobicContact CZ-CB 4.01Å; F171-L460 HydrophobicContact CZ-CD2 3.63Å; F171-L460 HydrophobicContact CZ-CG 4.42Å; F171-L460 WeakPolarHBondContact CZ-O 3.38Å
172G63.5Low66.5Low42 Ų4290 Ų9043%0.43349%0.488SS..PPolyproline II helixtrans-64.8143.417000000109.5L174 Y208G172-L174 PolarHBondContact O-N 3.36Å; G172-Y208 PolarHBondContact O-OH 2.85Å
173E73.7Confident69.5Low185 Ų18585.1 Ų85.186%0.86446%0.463SS*.PPolyproline II helixtrans-56.2136.4163.4-68.8-176.9177.800108.7P175E173-P175 VanDerWaalsContact O-CD 3.3Å; E173-P175 WeakPolarHBondContact O-CD 3.17Å
174L84.8Confident72.4Confident9 Ų981.5 Ų81.55%0.04745%0.446CS..  trans-82.1111.9173-71.2-173.4000108G172 G176 A177 V182 Y208 F212 H376 I405G172-L174 PolarHBondContact O-N 3.36Å; L174-G176 PolarHBondContact O-N 3Å; L174-A177 HydrophobicContact CB-CB 3.45Å; L174-A177 VanDerWaalsContact CB-CB 3.45Å; L174-A177 HydrophobicContact CD1-CB 4.38Å; L174-A177 VanDerWaalsContact O-CB 3.23Å; L174-A177 WeakPolarHBondContact O-CB 3.2Å; L174-A177 PolarHBondContact O-N 2.92Å; L174-V182 HydrophobicContact CD1-CG1 4.06Å; L174-V182 HydrophobicContact CD1-CG2 4.46Å; L174-Y208 HydrophobicContact CD1-CD1 3.39Å; L174-Y208 HydrophobicContact CD1-CE1 3.85Å; L174-Y208 HydrophobicContact CD1-CG 3.93Å; L174-Y208 HydrophobicContact CD2-CD1 4.11Å; L174-Y208 HydrophobicContact CD2-CE1 3.79Å; L174-Y208 HydrophobicContact CG-CD1 3.67Å; L174-Y208 HydrophobicContact CG-CE1 3.53Å; L174-Y208 HydrophobicContact CG-CG 4.46Å; L174-F212 HydrophobicContact CB-CE2 4.37Å; L174-F212 HydrophobicContact CB-CZ 4.25Å; L174-F212 HydrophobicContact CD1-CD2 3.93Å; L174-F212 HydrophobicContact CD1-CE2 3.74Å; L174-F212 HydrophobicContact CD1-CZ 4.38Å; L174-F212 HydrophobicContact CG-CE2 4.04Å; L174-F212 HydrophobicContact CG-CZ 4.41Å; L174-H376 HydrophobicContact CD1-CB 4.33Å; L174-H376 HydrophobicContact CD2-CB 4.35Å; L174-I405 HydrophobicContact CD2-CD1 4.21Å; L174-I405 HydrophobicContact CD2-CG1 3.8Å; L174-I405 HydrophobicContact CD2-CG2 4.35Å
175P88.1Confident75.4Confident71 Ų7174.5 Ų74.546%0.46141%0.409SS..THydrogen-bonded Turntrans-59.4123.2-174.8-23.634.9000111.7E173 A177 H376 I403 I405E173-P175 VanDerWaalsContact O-CD 3.3Å; E173-P175 WeakPolarHBondContact O-CD 3.17Å; P175-A177 PolarHBondContact O-N 2.95Å; P175-H376 PolarHBondContact O-NE2 3.4Å; P175-I403 HydrophobicContact CB-CD1 4.42Å; P175-I403 HydrophobicContact CG-CG2 4.42Å; P175-I403 WeakPolarHBondContact O-CD1 3.45Å; P175-I405 HydrophobicContact CG-CD1 4.46Å
176G87Confident77.9Confident74 Ų7470.2 Ų70.276%0.76339%0.39SS*.THydrogen-bonded Turntrans747.6-179.400000115L174L174-G176 PolarHBondContact O-N 3Å
177A88.7Confident80.7Confident26 Ų2662.5 Ų62.522%0.21536%0.356CS..  trans-66.113417500000112.2L174 P175 V182 F212L174-A177 HydrophobicContact CB-CB 3.45Å; L174-A177 VanDerWaalsContact CB-CB 3.45Å; L174-A177 HydrophobicContact CD1-CB 4.38Å; L174-A177 VanDerWaalsContact O-CB 3.23Å; L174-A177 WeakPolarHBondContact O-CB 3.2Å; L174-A177 PolarHBondContact O-N 2.92Å; P175-A177 PolarHBondContact O-N 2.95Å; A177-V182 HydrophobicContact CB-CG2 3.53Å; A177-F212 HydrophobicContact CB-CD1 3.87Å; A177-F212 HydrophobicContact CB-CE1 3.52Å; A177-F212 HydrophobicContact CB-CZ 3.96Å
178R88.3Confident83.1Confident161 Ų16155.6 Ų55.661%0.60833%0.327SS*.  trans-122.4141.6171.2-59.4-179.8-169.8166.50.1109.2G180 E181 V182R178-G180 PolarHBondContact O-N 2.86Å; R178-E181 HydrophobicContact CB-CB 4.21Å; R178-E181 HydrophobicContact CB-CG 4.26Å; R178-E181 WeakPolarHBondContact CD-OE2 3.35Å; R178-E181 IonicContact NH1-OE1 2.76Å; R178-E181 IonicContact NH1-OE2 2.67Å; R178-E181 PolarHBondContact O-N 3.49Å; R178-V182 PolarHBondContact O-N 3.49Å
179V88.3Confident85.2Confident97 Ų9756.7 Ų56.759%0.58832%0.322SS*.THydrogen-bonded Turntrans-60.5127.8178.2-179.30000109.1F212 K213V179-F212 CarbonylContact C-O 3.49Å; V179-F212 VanDerWaalsContact CA-O 3.3Å; V179-F212 WeakPolarHBondContact CA-O 3.12Å; V179-K213 HydrophobicContact CG1-CB 4.06Å; V179-K213 HydrophobicContact CG1-CD 3.99Å; V179-K213 HydrophobicContact CG1-CG 4.08Å
180G89.1Confident86.8Confident44 Ų4456.3 Ų56.345%0.45432%0.318SS..THydrogen-bonded Turntrans91.4-16.1-175.800000115.2R178 F212 K213R178-G180 PolarHBondContact O-N 2.86Å; G180-F212 PolarHBondContact N-O 2.99Å; G180-K213 WeakPolarHBondContact CA-O 3.31Å
181E93.2Very high88Confident109 Ų10949 Ų4951%0.50929%0.289SS..THydrogen-bonded Turntrans-109.7-9.3-175.2-61.9-178.6-158.100113.5R178 V183 T375R178-E181 HydrophobicContact CB-CB 4.21Å; R178-E181 HydrophobicContact CB-CG 4.26Å; R178-E181 WeakPolarHBondContact CD-OE2 3.35Å; R178-E181 IonicContact NH1-OE1 2.76Å; R178-E181 IonicContact NH1-OE2 2.67Å; R178-E181 PolarHBondContact O-N 3.49Å; E181-V183 PolarHBondContact O-N 3.43Å; E181-T375 WeakPolarHBondContact O-CG2 3.47Å
182V96.3Very high88.9Confident1 Ų146.4 Ų46.41%0.00628%0.279CS..  trans-69.9127.5178.4173.20000110.3L174 A177 R178 V184 F212 G214 R215 T375L174-V182 HydrophobicContact CD1-CG1 4.06Å; L174-V182 HydrophobicContact CD1-CG2 4.46Å; A177-V182 HydrophobicContact CB-CG2 3.53Å; R178-V182 PolarHBondContact O-N 3.49Å; V182-V184 HydrophobicContact CG1-CG1 3.89Å; V182-F212 HydrophobicContact CB-CB 3.69Å; V182-F212 HydrophobicContact CB-CG 4.27Å; V182-F212 HydrophobicContact CG1-CB 4.28Å; V182-F212 HydrophobicContact CG2-CB 3.53Å; V182-F212 HydrophobicContact CG2-CD1 3.84Å; V182-F212 HydrophobicContact CG2-CD2 4.33Å; V182-F212 HydrophobicContact CG2-CG 3.64Å; V182-G214 CarbonylContact O-C 3.56Å; V182-G214 WeakPolarHBondContact O-CA 3.29Å; V182-R215 PolarHBondContact O-N 3.04Å; V182-T375 WeakPolarHBondContact CA-OG1 3.22Å
183V98.2Very high90Very high20 Ų2047.2 Ų47.212%0.12127%0.27CS..EExtended strand (participates in β ladder)trans-126.2120.9173.7-176.40000107.4E181 R215 I217 G373 T375 H376E181-V183 PolarHBondContact O-N 3.43Å; V183-R215 WeakPolarHBondContact CA-O 3.1Å; V183-R215 HydrophobicContact CG1-CB 4.49Å; V183-R215 HydrophobicContact CG2-CB 4.43Å; V183-I217 HydrophobicContact CG1-CD1 3.82Å; V183-I217 HydrophobicContact CG1-CG1 4.16Å; V183-G373 WeakPolarHBondContact CB-O 3.49Å; V183-T375 HydrophobicContact CB-CG2 4.43Å; V183-T375 PolarHBondContact N-OG1 2.87Å; V183-T375 PolarHBondContact O-N 2.71Å; V183-T375 PolarHBondContact O-OG1 2.8Å; V183-H376 PolarHBondContact O-N 3.03Å
184V97.6Very high90.9Very high0 Ų038.6 Ų38.60%023%0.229CC..EExtended strand (participates in β ladder)trans-122.7166.8-179.8-69.40000109.5V182 N205 R209 R215 L216 I217 H376 L378V182-V184 HydrophobicContact CG1-CG1 3.89Å; V184-N205 WeakPolarHBondContact CB-OD1 3.42Å; V184-N205 HydrophobicContact CG2-CB 4.25Å; V184-N205 WeakPolarHBondContact CG2-O 3.45Å; V184-R209 HydrophobicContact CG2-CB 4.07Å; V184-R215 WeakPolarHBondContact CG2-O 3.36Å; V184-R215 PolarHBondContact N-O 3.42Å; V184-L216 HydrophobicContact CG2-CB 4.35Å; V184-L216 HydrophobicContact CG2-CD1 4.22Å; V184-L216 WeakPolarHBondContact O-CA 3.36Å; V184-I217 PolarHBondContact O-N 3Å; V184-H376 HydrophobicContact CG1-CB 4.17Å; V184-L378 HydrophobicContact CG1-CD1 3.8Å
185R97.3Very high91.3Very high1 Ų139.1 Ų39.10%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-142.7149.5178.471.3-90.1173.2-843.2113P187 N205 I217 D369 V374 A377R185-P187 HydrophobicContact CG-CG 4.38Å; R185-N205 PolarHBondContact N-OD1 2.85Å; R185-N205 PolarHBondContact O-ND2 3.04Å; R185-N205 PolarHBondContact O-OD1 3.13Å; R185-I217 CarbonylContact C-O 3.52Å; R185-I217 WeakPolarHBondContact CA-O 3.15Å; R185-I217 HydrophobicContact CB-CB 4.07Å; R185-I217 WeakPolarHBondContact CB-O 3.49Å; R185-D369 VanDerWaalsContact CD-OD1 3.3Å; R185-D369 WeakPolarHBondContact CD-OD1 3.22Å; R185-D369 IonicContact CZ-OD1 3.17Å; R185-D369 IonicContact CZ-OD2 3.89Å; R185-D369 IonicContact NE-OD1 3.43Å; R185-D369 PolarHBondContact NE-OD1 2.96Å; R185-D369 IonicContact NE-OD2 3.81Å; R185-D369 PolarHBondContact NE-OD2 3.18Å; R185-D369 IonicContact NH2-OD2 2.73Å; R185-D369 PolarHBondContact NH2-OD2 3.15Å; R185-V374 VanDerWaalsContact CD-CG2 3.44Å; R185-V374 HydrophobicContact CG-CG2 4.48Å; R185-A377 VanDerWaalsContact NH1-C 3.34Å
186F97.3Very high91.5Very high8 Ų835.8 Ų35.84%0.03521%0.21CC..EExtended strand (participates in β ladder)trans-110.6109.3163.3178.6-123.5000108.4P188 L194 H198 A201 A202 L216 I217 L218 R219 L240F186-P188 HydrophobicContact CD1-CG 4.04Å; F186-P188 HydrophobicContact CE1-CB 3.81Å; F186-P188 HydrophobicContact CE1-CG 3.71Å; F186-P188 HydrophobicContact CZ-CB 3.89Å; F186-P188 HydrophobicContact CZ-CG 4.28Å; F186-P188 WeakPolarHBondContact O-CD 3.4Å; F186-L194 HydrophobicContact CE1-CD2 4.46Å; F186-L194 HydrophobicContact CZ-CD2 4.19Å; F186-H198 HydrophobicContact CZ-CB 4.12Å; F186-A201 HydrophobicContact CD2-CB 4.01Å; F186-A201 HydrophobicContact CE2-CB 3.82Å; F186-A202 HydrophobicContact CD1-CB 3.97Å; F186-A202 HydrophobicContact CD2-CB 4.08Å; F186-A202 HydrophobicContact CE1-CB 4.06Å; F186-A202 HydrophobicContact CE2-CB 4.17Å; F186-A202 HydrophobicContact CG-CB 4Å; F186-A202 HydrophobicContact CZ-CB 4.16Å; F186-L216 HydrophobicContact CB-CD1 4.31Å; F186-I217 PolarHBondContact N-O 2.92Å; F186-L218 HydrophobicContact CD1-CD1 3.78Å; F186-L218 HydrophobicContact CE1-CD1 4.47Å; F186-R219 PolarHBondContact O-N 3.5Å; F186-R219 VanDerWaalsContact O-N 3.09Å; F186-L240 HydrophobicContact CD1-CD1 4.09Å; F186-L240 HydrophobicContact CD1-CD2 4.16Å; F186-L240 HydrophobicContact CE1-CD1 4.08Å; F186-L240 HydrophobicContact CE1-CD2 3.83Å; F186-L240 HydrophobicContact CE1-CG 4.5Å
187P94.7Very high91.7Very high28 Ų2833.1 Ų33.118%0.18218%0.182CC..  trans-103.477.6-177.536.1-30.8000113.5R185 R219R185-P187 HydrophobicContact CG-CG 4.38Å; P187-R219 CarbonylContact C-O 3.57Å; P187-R219 WeakPolarHBondContact CA-O 3.28Å
188P94.2Very high91.9Very high4 Ų433.9 Ų33.93%0.02618%0.182CC..  trans-76.4141.3178.531.6-35.6000112.5F186 L194 L218 R219 F220 D221 I236F186-P188 HydrophobicContact CD1-CG 4.04Å; F186-P188 HydrophobicContact CE1-CB 3.81Å; F186-P188 HydrophobicContact CE1-CG 3.71Å; F186-P188 HydrophobicContact CZ-CB 3.89Å; F186-P188 HydrophobicContact CZ-CG 4.28Å; F186-P188 WeakPolarHBondContact O-CD 3.4Å; P188-L194 HydrophobicContact CB-CD2 4.37Å; P188-L218 HydrophobicContact CG-CD1 3.85Å; P188-R219 WeakPolarHBondContact CD-O 3.49Å; P188-F220 HydrophobicContact CG-CD1 4.22Å; P188-F220 HydrophobicContact CG-CE1 4.15Å; P188-D221 PolarHBondContact O-N 2.72Å; P188-I236 HydrophobicContact CB-CD1 4.26Å; P188-I236 HydrophobicContact CG-CG2 4.11Å
189E89Confident92Very high58 Ų5826.2 Ų26.227%0.27115%0.153SC..  trans-88.6119167.2-176.1-165.7-167.100109.2S191 K419E189-S191 PolarHBondContact O-N 3.32Å; E189-K419 PolarHBondContact O-NZ 3.25Å; E189-K419 VanDerWaalsContact O-NZ 3.09Å; E189-K419 IonicContact OE2-NZ 2.86Å; E189-K419 PolarHBondContact OE2-NZ 2.97Å
190A87.3Confident92.2Very high7 Ų721.7 Ų21.76%0.05813%0.125CC..SBendtrans-74.848.5-179.100000113.2F220 E228 K229 F232 E233 I236A190-F220 HydrophobicContact CB-CD1 4.12Å; A190-F220 HydrophobicContact CB-CE1 4.46Å; A190-E228 WeakPolarHBondContact O-CA 3.49Å; A190-K229 PolarHBondContact O-N 3.34Å; A190-K229 VanDerWaalsContact O-N 3.11Å; A190-F232 HydrophobicContact CB-CB 4.31Å; A190-F232 WeakPolarHBondContact O-CB 3.23Å; A190-F232 VanDerWaalsContact O-CD2 3.29Å; A190-F232 WeakPolarHBondContact O-CD2 3.43Å; A190-E233 HydrophobicContact CB-CB 4.29Å; A190-I236 HydrophobicContact CB-CD1 4.21Å
191S84.9Confident92.3Very high24 Ų2420.1 Ų20.117%0.16811%0.107CC..SBendtrans-109.48.317985.20000113.5E189 K227 F232 K419E189-S191 PolarHBondContact O-N 3.32Å; S191-K227 WeakPolarHBondContact CA-O 3.32Å; S191-F232 VanDerWaalsContact C-CD2 3.46Å; S191-K419 PolarHBondContact OG-NZ 3.49Å
192G85.1Confident92.4Very high5 Ų514.9 Ų14.95%0.0528%0.083CC..SBendtrans171.4171.1-176.100000112
193Y87.2Confident92.2Very high60 Ų6015.1 Ų15.124%0.2358%0.084CC..  trans-71.4152.3-178.2-65-91000113F232 S235 W434Y193-F232 HydrophobicContact CD2-CD1 4.1Å; Y193-F232 AromaticContact CD2-CE1 3.82Å; Y193-F232 HydrophobicContact CD2-CE1 3.82Å; Y193-F232 AromaticContact CE2-CD1 3.92Å; Y193-F232 HydrophobicContact CE2-CD1 3.92Å; Y193-F232 AromaticContact CE2-CE1 3.48Å; Y193-F232 HydrophobicContact CE2-CE1 3.48Å; Y193-F232 VanDerWaalsContact CE2-CE1 3.48Å; Y193-S235 WeakPolarHBondContact CD1-OG 3.36Å; Y193-S235 VanDerWaalsContact CE1-OG 3.27Å; Y193-S235 WeakPolarHBondContact CE1-OG 3.35Å; Y193-W434 HydrophobicContact CD1-CB 4.36Å; Y193-W434 HydrophobicContact CD2-CB 3.74Å; Y193-W434 AromaticContact CD2-CD1 3.74Å; Y193-W434 AromaticContact CD2-CD2 3.28Å; Y193-W434 HydrophobicContact CD2-CD2 3.28Å; Y193-W434 AromaticContact CD2-CE2 3.72Å; Y193-W434 AromaticContact CD2-CE3 3.68Å; Y193-W434 HydrophobicContact CD2-CE3 3.68Å; Y193-W434 AromaticContact CD2-CG 3.3Å; Y193-W434 HydrophobicContact CD2-CG 3.3Å; Y193-W434 HydrophobicContact CD2-CZ2 4.43Å; Y193-W434 HydrophobicContact CD2-CZ3 4.37Å; Y193-W434 AromaticContact CD2-NE1 3.97Å; Y193-W434 HydrophobicContact CE1-CB 4.45Å; Y193-W434 HydrophobicContact CE2-CB 3.82Å; Y193-W434 AromaticContact CE2-CD1 3.21Å; Y193-W434 AromaticContact CE2-CD2 3.63Å; Y193-W434 HydrophobicContact CE2-CD2 3.63Å; Y193-W434 AromaticContact CE2-CE2 3.77Å; Y193-W434 HydrophobicContact CE2-CE3 4.46Å; Y193-W434 AromaticContact CE2-CG 3.26Å; Y193-W434 HydrophobicContact CE2-CG 3.26Å; Y193-W434 AromaticContact CE2-NE1 3.52Å; Y193-W434 HydrophobicContact CG-CB 4.02Å; Y193-W434 HydrophobicContact CG-CD2 4.2Å; Y193-W434 HydrophobicContact CG-CE3 4.32Å; Y193-W434 HydrophobicContact CG-CG 4.08Å; Y193-W434 AromaticContact CZ-CD1 3.92Å
194L93.1Very high91.9Very high3 Ų314.1 Ų14.12%0.0168%0.078CC..  trans-67.6140173.6-62.3-174.7000110.3F186 P188 H198 I236 D239 L240 T441 V442F186-L194 HydrophobicContact CE1-CD2 4.46Å; F186-L194 HydrophobicContact CZ-CD2 4.19Å; P188-L194 HydrophobicContact CB-CD2 4.37Å; L194-H198 HydrophobicContact CB-CB 4.28Å; L194-H198 HydrophobicContact CD2-CB 3.82Å; L194-I236 HydrophobicContact CD1-CG1 4.34Å; L194-I236 HydrophobicContact CD1-CG2 4.22Å; L194-I236 HydrophobicContact CD2-CD1 4.4Å; L194-I236 HydrophobicContact CD2-CG1 3.87Å; L194-I236 HydrophobicContact CG-CG1 3.84Å; L194-D239 HydrophobicContact CD1-CB 4.35Å; L194-L240 HydrophobicContact CD1-CD2 3.74Å; L194-L240 HydrophobicContact CD1-CG 3.86Å; L194-T441 CarbonylContact O-C 3.55Å; L194-T441 WeakPolarHBondContact O-CA 3.49Å; L194-T441 WeakPolarHBondContact O-CB 3.27Å; L194-V442 HydrophobicContact CB-CB 4.34Å; L194-V442 HydrophobicContact CB-CG2 3.73Å; L194-V442 PolarHBondContact O-N 2.93Å
195H93.2Very high91.8Very high21 Ų2114.2 Ų14.210%0.0978%0.079CC..BIsolated β-bridgetrans-122.4171.6173.561.753.4000109.9G197 H198 A199 L417 P440H195-G197 WeakPolarHBondContact ND1-CA 3.44Å; H195-G197 PolarHBondContact ND1-N 2.93Å; H195-G197 VanDerWaalsContact ND1-N 3.12Å; H195-G197 PolarHBondContact O-N 3.44Å; H195-H198 AromaticContact CD2-CE1 3.55Å; H195-H198 AromaticContact CD2-ND1 3.57Å; H195-H198 AromaticContact CE1-CE1 3.58Å; H195-H198 AromaticContact CE1-CG 3.84Å; H195-H198 AromaticContact CE1-ND1 3.53Å; H195-H198 AromaticContact CE1-NE2 3.92Å; H195-H198 AromaticContact CG-ND1 3.68Å; H195-H198 PolarHBondContact N-ND1 2.82Å; H195-H198 PolarHBondContact ND1-N 3.25Å; H195-H198 AromaticContact ND1-ND1 3.66Å; H195-H198 AromaticContact NE2-CE1 3.18Å; H195-H198 PolarHBondContact NE2-CE1 3.35Å; H195-H198 AromaticContact NE2-ND1 3.49Å; H195-H198 PolarHBondContact NE2-ND1 2.84Å; H195-H198 AromaticContact NE2-NE2 3.75Å; H195-H198 WeakPolarHBondContact O-CA 3.47Å; H195-H198 VanDerWaalsContact O-CB 3.31Å; H195-H198 WeakPolarHBondContact O-CB 3.36Å; H195-H198 PolarHBondContact O-N 3.48Å; H195-A199 PolarHBondContact O-N 3.49Å; H195-L417 PolarHBondContact CD2-O 2.88Å; H195-L417 PolarHBondContact NE2-O 3.23Å; H195-P440 CarbonylContact C-O 3.52Å; H195-P440 VanDerWaalsContact CA-O 3.24Å; H195-P440 WeakPolarHBondContact CA-O 3.49Å; H195-P440 VanDerWaalsContact CB-O 3.31Å; H195-P440 WeakPolarHBondContact CB-O 3.41Å
196I91.6Very high91.6Very high0 Ų014.8 Ų14.80%08%0.082CC..Hα-helixtrans-54.9-33.1-174.7-164.3168000113.9H198 A199 K200 L410 L412 L417 P440 I445 L455 W473 I476I196-H198 PolarHBondContact O-N 3.35Å; I196-A199 WeakPolarHBondContact O-CB 3.46Å; I196-A199 PolarHBondContact O-N 3.32Å; I196-K200 PolarHBondContact O-N 3.3Å; I196-L410 HydrophobicContact CB-CD2 4.45Å; I196-L410 HydrophobicContact CD1-CD2 4.29Å; I196-L410 HydrophobicContact CG1-CD2 3.87Å; I196-L410 HydrophobicContact CG2-CD2 4.03Å; I196-L412 HydrophobicContact CD1-CD1 4.25Å; I196-L412 HydrophobicContact CG2-CD1 3.65Å; I196-L417 HydrophobicContact CG2-CD1 4.41Å; I196-L417 HydrophobicContact CG2-CD2 3.82Å; I196-P440 HydrophobicContact CG2-CB 4.4Å; I196-P440 PolarHBondContact N-O 3.29Å; I196-I445 HydrophobicContact CB-CD1 4.5Å; I196-I445 HydrophobicContact CD1-CD1 4.4Å; I196-I445 HydrophobicContact CG1-CD1 4.42Å; I196-L455 HydrophobicContact CD1-CD1 3.97Å; I196-L455 HydrophobicContact CG1-CD1 4Å; I196-W473 HydrophobicContact CD1-CH2 4Å; I196-W473 HydrophobicContact CD1-CZ3 4.02Å; I196-I476 HydrophobicContact CD1-CD1 3.63Å
197G90.4Very high91.3Very high18 Ų1815.9 Ų15.919%0.1869%0.087CC..Hα-helixtrans-59.7-40.8169.500000114.4H195 K200 A201H195-G197 WeakPolarHBondContact ND1-CA 3.44Å; H195-G197 PolarHBondContact ND1-N 2.93Å; H195-G197 VanDerWaalsContact ND1-N 3.12Å; H195-G197 PolarHBondContact O-N 3.44Å; G197-K200 PolarHBondContact O-N 3.08Å; G197-A201 PolarHBondContact O-N 3.05Å
198H93Very high91.1Very high43 Ų4314.8 Ų14.820%0.1998%0.079CC..Hα-helixtrans-69.2-38.8172.2-61.6130.5000111.6F186 L194 H195 I196 K200 A201 A202F186-H198 HydrophobicContact CZ-CB 4.12Å; L194-H198 HydrophobicContact CB-CB 4.28Å; L194-H198 HydrophobicContact CD2-CB 3.82Å; H195-H198 AromaticContact CD2-CE1 3.55Å; H195-H198 AromaticContact CD2-ND1 3.57Å; H195-H198 AromaticContact CE1-CE1 3.58Å; H195-H198 AromaticContact CE1-CG 3.84Å; H195-H198 AromaticContact CE1-ND1 3.53Å; H195-H198 AromaticContact CE1-NE2 3.92Å; H195-H198 AromaticContact CG-ND1 3.68Å; H195-H198 PolarHBondContact N-ND1 2.82Å; H195-H198 PolarHBondContact ND1-N 3.25Å; H195-H198 AromaticContact ND1-ND1 3.66Å; H195-H198 AromaticContact NE2-CE1 3.18Å; H195-H198 PolarHBondContact NE2-CE1 3.35Å; H195-H198 AromaticContact NE2-ND1 3.49Å; H195-H198 PolarHBondContact NE2-ND1 2.84Å; H195-H198 AromaticContact NE2-NE2 3.75Å; H195-H198 WeakPolarHBondContact O-CA 3.47Å; H195-H198 VanDerWaalsContact O-CB 3.31Å; H195-H198 WeakPolarHBondContact O-CB 3.36Å; H195-H198 PolarHBondContact O-N 3.48Å; I196-H198 PolarHBondContact O-N 3.35Å; H198-K200 VanDerWaalsContact C-N 3.3Å; H198-K200 PolarHBondContact O-N 2.8Å; H198-A201 WeakPolarHBondContact O-CB 3.41Å; H198-A201 PolarHBondContact O-N 3.07Å; H198-A201 VanDerWaalsContact O-N 3.12Å; H198-A202 PolarHBondContact O-N 3.28Å
199A91.7Very high91.1Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-59.1-4117500000111.6H195 I196 A201 A202 L203 I243 V442 L455H195-A199 PolarHBondContact O-N 3.49Å; I196-A199 WeakPolarHBondContact O-CB 3.46Å; I196-A199 PolarHBondContact O-N 3.32Å; A199-A201 PolarHBondContact O-N 3.37Å; A199-A202 PolarHBondContact O-N 3.14Å; A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.32Å; A199-L203 WeakPolarHBondContact O-CG 3.36Å; A199-L203 PolarHBondContact O-N 3.43Å; A199-I243 HydrophobicContact CB-CD1 3.96Å; A199-V442 HydrophobicContact CB-CG2 4.11Å; A199-L455 HydrophobicContact CB-CD2 4.12Å
200K91.6Very high91.2Very high2 Ų218.3 Ų18.31%0.00910%0.095CC..Hα-helixtrans-56.2-49.1171.8-178175.7-178.3-176.50111.7I196 G197 H198 L204 S408 L410 I459I196-K200 PolarHBondContact O-N 3.3Å; G197-K200 PolarHBondContact O-N 3.08Å; H198-K200 VanDerWaalsContact C-N 3.3Å; H198-K200 PolarHBondContact O-N 2.8Å; K200-L204 HydrophobicContact CG-CD1 3.88Å; K200-L204 HydrophobicContact CG-CG 4.37Å; K200-L204 WeakPolarHBondContact O-CB 3.35Å; K200-L204 VanDerWaalsContact O-CG 3.29Å; K200-L204 WeakPolarHBondContact O-CG 3.48Å; K200-L204 PolarHBondContact O-N 2.92Å; K200-S408 PolarHBondContact NZ-O 3.31Å; K200-S408 PolarHBondContact NZ-OG 3.13Å; K200-S408 VanDerWaalsContact NZ-OG 3.09Å; K200-L410 HydrophobicContact CD-CB 3.95Å; K200-I459 HydrophobicContact CB-CD1 4.24Å; K200-I459 HydrophobicContact CB-CG1 4.21Å; K200-I459 HydrophobicContact CG-CG1 4.41Å; K200-I459 HydrophobicContact CG-CG2 4.11Å
201A92.5Very high91.3Very high10 Ų1022.3 Ų22.38%0.08311%0.114CC..Hα-helixtrans-61.2-46.9179.100000112F186 G197 H198 A199 N205 Y407F186-A201 HydrophobicContact CD2-CB 4.01Å; F186-A201 HydrophobicContact CE2-CB 3.82Å; G197-A201 PolarHBondContact O-N 3.05Å; H198-A201 WeakPolarHBondContact O-CB 3.41Å; H198-A201 PolarHBondContact O-N 3.07Å; H198-A201 VanDerWaalsContact O-N 3.12Å; A199-A201 PolarHBondContact O-N 3.37Å; A201-N205 PolarHBondContact O-N 2.9Å; A201-N205 VanDerWaalsContact O-N 3.16Å; A201-N205 PolarHBondContact O-ND2 3.16Å; A201-Y407 WeakPolarHBondContact CB-OH 3.38Å
202A94.6Very high91.6Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-64.4-46.7-179.500000112F186 H198 A199 N205 Q206 L240 V245F186-A202 HydrophobicContact CD1-CB 3.97Å; F186-A202 HydrophobicContact CD2-CB 4.08Å; F186-A202 HydrophobicContact CE1-CB 4.06Å; F186-A202 HydrophobicContact CE2-CB 4.17Å; F186-A202 HydrophobicContact CG-CB 4Å; F186-A202 HydrophobicContact CZ-CB 4.16Å; H198-A202 PolarHBondContact O-N 3.28Å; A199-A202 PolarHBondContact O-N 3.14Å; A202-N205 PolarHBondContact O-N 3.42Å; A202-Q206 WeakPolarHBondContact O-CB 3.43Å; A202-Q206 PolarHBondContact O-N 3.13Å; A202-L240 HydrophobicContact CB-CD2 3.73Å; A202-V245 HydrophobicContact CB-CG1 4.33Å; A202-V245 HydrophobicContact CB-CG2 3.94Å
203L92.9Very high91.9Very high5 Ų530.4 Ų30.43%0.02615%0.145CC..Hα-helixtrans-70-33.7-179.2-75165.2000113.2A199 Q206 H207 I243 V245 L455 R456 I459A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.32Å; A199-L203 WeakPolarHBondContact O-CG 3.36Å; A199-L203 PolarHBondContact O-N 3.43Å; L203-Q206 PolarHBondContact O-N 3.37Å; L203-H207 WeakPolarHBondContact O-CB 3.49Å; L203-H207 PolarHBondContact O-N 3.26Å; L203-I243 HydrophobicContact CD1-CD1 4.46Å; L203-I243 HydrophobicContact CG-CD1 4.48Å; L203-V245 HydrophobicContact CD2-CG2 3.77Å; L203-V245 HydrophobicContact CG-CG2 4Å; L203-L455 HydrophobicContact CD1-CD2 4.37Å; L203-L455 HydrophobicContact CD1-CG 4.16Å; L203-R456 HydrophobicContact CD2-CB 4.45Å; L203-R456 HydrophobicContact CD2-CG 4.3Å; L203-I459 HydrophobicContact CB-CD1 4.21Å; L203-I459 HydrophobicContact CB-CG2 4.07Å; L203-I459 HydrophobicContact CD1-CD1 3.32Å; L203-I459 HydrophobicContact CG-CD1 4.35Å
204L91.1Very high92.2Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-65.4-43.4172.1-77.4174.3000111.6F171 K200 H207 Y208 L378 Y407 I459F171-L204 HydrophobicContact CE1-CD2 4.01Å; K200-L204 HydrophobicContact CG-CD1 3.88Å; K200-L204 HydrophobicContact CG-CG 4.37Å; K200-L204 WeakPolarHBondContact O-CB 3.35Å; K200-L204 VanDerWaalsContact O-CG 3.29Å; K200-L204 WeakPolarHBondContact O-CG 3.48Å; K200-L204 PolarHBondContact O-N 2.92Å; L204-H207 PolarHBondContact O-N 2.77Å; L204-Y208 VanDerWaalsContact O-CD2 3.31Å; L204-Y208 WeakPolarHBondContact O-CD2 3.44Å; L204-Y208 PolarHBondContact O-N 3.4Å; L204-Y208 VanDerWaalsContact O-N 3.12Å; L204-L378 HydrophobicContact CB-CD2 4.2Å; L204-Y407 HydrophobicContact CD1-CD1 4.26Å; L204-Y407 HydrophobicContact CD1-CD2 3.67Å; L204-Y407 HydrophobicContact CD1-CE2 3.99Å; L204-Y407 HydrophobicContact CD1-CG 3.82Å; L204-I459 HydrophobicContact CD2-CG2 4.35Å; L204-I459 HydrophobicContact CG-CG2 4.14Å
205N94.8Very high92.4Very high2 Ų235.5 Ų35.51%0.01117%0.166CC..Hα-helixtrans-63.8-43.9175.5-79.1-79.4000111.2V184 R185 A201 A202 H207 Y208 R209 L216V184-N205 WeakPolarHBondContact CB-OD1 3.42Å; V184-N205 HydrophobicContact CG2-CB 4.25Å; V184-N205 WeakPolarHBondContact CG2-O 3.45Å; R185-N205 PolarHBondContact N-OD1 2.85Å; R185-N205 PolarHBondContact O-ND2 3.04Å; R185-N205 PolarHBondContact O-OD1 3.13Å; A201-N205 PolarHBondContact O-N 2.9Å; A201-N205 VanDerWaalsContact O-N 3.16Å; A201-N205 PolarHBondContact O-ND2 3.16Å; A202-N205 PolarHBondContact O-N 3.42Å; N205-H207 VanDerWaalsContact C-N 3.31Å; N205-H207 PolarHBondContact O-N 3.43Å; N205-Y208 PolarHBondContact O-N 3.46Å; N205-R209 WeakPolarHBondContact O-CB 3.38Å; N205-R209 PolarHBondContact O-N 3.36Å; N205-L216 HydrophobicContact CB-CD1 3.81Å; N205-L216 HydrophobicContact CB-CD2 4.4Å
206Q93.3Very high92.7Very high13 Ų1334.6 Ų34.66%0.06116%0.162CC..Hα-helixtrans-54.9-47.2173.3179.46842.600111.3A202 L203 Y208 R209 D210 L216 V245 T246A202-Q206 WeakPolarHBondContact O-CB 3.43Å; A202-Q206 PolarHBondContact O-N 3.13Å; L203-Q206 PolarHBondContact O-N 3.37Å; Q206-Y208 PolarHBondContact O-N 3.2Å; Q206-R209 WeakPolarHBondContact O-CB 3.44Å; Q206-R209 PolarHBondContact O-N 2.9Å; Q206-D210 VanDerWaalsContact NE2-CG 3.33Å; Q206-D210 PolarHBondContact NE2-OD1 2.59Å; Q206-D210 PolarHBondContact NE2-OD2 3.11Å; Q206-D210 VanDerWaalsContact O-CG 3.27Å; Q206-D210 PolarHBondContact O-N 3.4Å; Q206-L216 HydrophobicContact CB-CD2 4.29Å; Q206-V245 HydrophobicContact CB-CG2 4.45Å; Q206-T246 PolarHBondContact OE1-O 3.23Å
207H91.2Very high93Very high31 Ų3135.2 Ų35.214%0.14417%0.165CC..Hα-helixtrans-60.4-45.8-178.7-178.869.6000112.9F171 L203 L204 N205 R209 D210 I211 L460F171-H207 AromaticContact CD1-CD2 3.57Å; F171-H207 AromaticContact CD1-NE2 3.63Å; F171-H207 AromaticContact CD2-NE2 3.85Å; F171-H207 AromaticContact CE1-CD2 3.26Å; F171-H207 WeakPolarHBondContact CE1-CD2 3.3Å; F171-H207 AromaticContact CE1-NE2 3.39Å; F171-H207 WeakPolarHBondContact CE1-NE2 3.39Å; F171-H207 AromaticContact CE2-NE2 3.63Å; F171-H207 AromaticContact CG-NE2 3.85Å; F171-H207 AromaticContact CZ-CD2 3.71Å; F171-H207 AromaticContact CZ-NE2 3.38Å; F171-H207 WeakPolarHBondContact CZ-NE2 3.4Å; L203-H207 WeakPolarHBondContact O-CB 3.49Å; L203-H207 PolarHBondContact O-N 3.26Å; L204-H207 PolarHBondContact O-N 2.77Å; N205-H207 VanDerWaalsContact C-N 3.31Å; N205-H207 PolarHBondContact O-N 3.43Å; H207-R209 VanDerWaalsContact C-N 3.34Å; H207-D210 PolarHBondContact O-N 3.27Å; H207-I211 WeakPolarHBondContact CE1-CD1 3.33Å; H207-I211 WeakPolarHBondContact NE2-CD1 3.43Å; H207-I211 PolarHBondContact O-N 3.1Å; H207-L460 HydrophobicContact CB-CD2 3.78Å; H207-L460 VanDerWaalsContact CG-CD2 3.41Å; H207-L460 VanDerWaalsContact ND1-CD2 3.31Å; H207-L460 WeakPolarHBondContact ND1-CD2 3.43Å
208Y91.5Very high93.4Very high4 Ų434.5 Ų34.52%0.01616%0.157CC..Hα-helixtrans-68-35.1176.5-80.7-67.1000112.6G172 L174 L204 N205 Q206 D210 F212 L378 S464G172-Y208 PolarHBondContact O-OH 2.85Å; L174-Y208 HydrophobicContact CD1-CD1 3.39Å; L174-Y208 HydrophobicContact CD1-CE1 3.85Å; L174-Y208 HydrophobicContact CD1-CG 3.93Å; L174-Y208 HydrophobicContact CD2-CD1 4.11Å; L174-Y208 HydrophobicContact CD2-CE1 3.79Å; L174-Y208 HydrophobicContact CG-CD1 3.67Å; L174-Y208 HydrophobicContact CG-CE1 3.53Å; L174-Y208 HydrophobicContact CG-CG 4.46Å; L204-Y208 VanDerWaalsContact O-CD2 3.31Å; L204-Y208 WeakPolarHBondContact O-CD2 3.44Å; L204-Y208 PolarHBondContact O-N 3.4Å; L204-Y208 VanDerWaalsContact O-N 3.12Å; N205-Y208 PolarHBondContact O-N 3.46Å; Q206-Y208 PolarHBondContact O-N 3.2Å; Y208-D210 VanDerWaalsContact C-N 3.33Å; Y208-F212 HydrophobicContact CD1-CD2 4.02Å; Y208-F212 AromaticContact CD1-CE2 3.76Å; Y208-F212 HydrophobicContact CD1-CE2 3.76Å; Y208-F212 HydrophobicContact CE1-CE2 4.2Å; Y208-F212 WeakPolarHBondContact O-CB 3.33Å; Y208-F212 WeakPolarHBondContact O-CD2 3.4Å; Y208-F212 PolarHBondContact O-N 3.07Å; Y208-F212 VanDerWaalsContact O-N 3.1Å; Y208-L378 HydrophobicContact CD2-CD2 3.57Å; Y208-L378 HydrophobicContact CE2-CD2 3.83Å; Y208-S464 VanDerWaalsContact CE2-OG 3.29Å; Y208-S464 WeakPolarHBondContact CE2-OG 3.45Å; Y208-S464 WeakPolarHBondContact OH-CB 3.41Å; Y208-S464 PolarHBondContact OH-OG 3.05Å
209R93.2Very high93.6Very high61 Ų6132.6 Ų32.623%0.2315%0.148CC..Hα-helixtrans-59.4-44.9170.6175.3-93-175.2-166.8-0.6110.9V184 N205 Q206 H207 K213 G214 L216 D248V184-R209 HydrophobicContact CG2-CB 4.07Å; N205-R209 WeakPolarHBondContact O-CB 3.38Å; N205-R209 PolarHBondContact O-N 3.36Å; Q206-R209 WeakPolarHBondContact O-CB 3.44Å; Q206-R209 PolarHBondContact O-N 2.9Å; H207-R209 VanDerWaalsContact C-N 3.34Å; R209-K213 CarbonylContact O-C 3.58Å; R209-K213 VanDerWaalsContact O-CA 3.3Å; R209-K213 WeakPolarHBondContact O-CA 3.49Å; R209-K213 PolarHBondContact O-N 2.85Å; R209-G214 PolarHBondContact O-N 2.77Å; R209-L216 HydrophobicContact CB-CB 4.05Å; R209-L216 HydrophobicContact CG-CB 3.87Å; R209-D248 IonicContact CZ-OD1 3.44Å; R209-D248 IonicContact CZ-OD2 3.78Å; R209-D248 IonicContact NE-OD1 2.7Å; R209-D248 IonicContact NE-OD2 2.82Å; R209-D248 PolarHBondContact NE-OD2 2.83Å; R209-D248 IonicContact NH2-OD1 2.9Å; R209-D248 PolarHBondContact NH2-OD1 3.38Å; R209-D248 IonicContact NH2-OD2 2.97Å
210D91.3Very high93.7Very high75 Ų7532.8 Ų32.840%0.40115%0.149SC..Hα-helixtrans-70.7-47.4-177.8-66.3-25.4000112.5Q206 H207 Y208 F212 K213Q206-D210 VanDerWaalsContact NE2-CG 3.33Å; Q206-D210 PolarHBondContact NE2-OD1 2.59Å; Q206-D210 PolarHBondContact NE2-OD2 3.11Å; Q206-D210 VanDerWaalsContact O-CG 3.27Å; Q206-D210 PolarHBondContact O-N 3.4Å; H207-D210 PolarHBondContact O-N 3.27Å; Y208-D210 VanDerWaalsContact C-N 3.33Å; D210-F212 PolarHBondContact O-N 2.92Å; D210-K213 PolarHBondContact O-N 3.26Å
211I88.8Confident93.8Very high92 Ų9233.5 Ų33.547%0.47215%0.153SC..Hα-helixtrans-61.5-44.7179.4-74.2-172.5000111.6H207 K213H207-I211 WeakPolarHBondContact CE1-CD1 3.33Å; H207-I211 WeakPolarHBondContact NE2-CD1 3.43Å; H207-I211 PolarHBondContact O-N 3.1Å; I211-K213 VanDerWaalsContact C-N 3.31Å
212F91.3Very high93.8Very high37 Ų3733.3 Ų33.316%0.16215%0.151CC..THydrogen-bonded Turntrans-90.56.1-177.6-71.1-85.5000112.9L174 A177 V179 G180 V182 Y208 D210 G214L174-F212 HydrophobicContact CB-CE2 4.37Å; L174-F212 HydrophobicContact CB-CZ 4.25Å; L174-F212 HydrophobicContact CD1-CD2 3.93Å; L174-F212 HydrophobicContact CD1-CE2 3.74Å; L174-F212 HydrophobicContact CD1-CZ 4.38Å; L174-F212 HydrophobicContact CG-CE2 4.04Å; L174-F212 HydrophobicContact CG-CZ 4.41Å; A177-F212 HydrophobicContact CB-CD1 3.87Å; A177-F212 HydrophobicContact CB-CE1 3.52Å; A177-F212 HydrophobicContact CB-CZ 3.96Å; V179-F212 CarbonylContact C-O 3.49Å; V179-F212 VanDerWaalsContact CA-O 3.3Å; V179-F212 WeakPolarHBondContact CA-O 3.12Å; G180-F212 PolarHBondContact N-O 2.99Å; V182-F212 HydrophobicContact CB-CB 3.69Å; V182-F212 HydrophobicContact CB-CG 4.27Å; V182-F212 HydrophobicContact CG1-CB 4.28Å; V182-F212 HydrophobicContact CG2-CB 3.53Å; V182-F212 HydrophobicContact CG2-CD1 3.84Å; V182-F212 HydrophobicContact CG2-CD2 4.33Å; V182-F212 HydrophobicContact CG2-CG 3.64Å; Y208-F212 HydrophobicContact CD1-CD2 4.02Å; Y208-F212 AromaticContact CD1-CE2 3.76Å; Y208-F212 HydrophobicContact CD1-CE2 3.76Å; Y208-F212 HydrophobicContact CE1-CE2 4.2Å; Y208-F212 WeakPolarHBondContact O-CB 3.33Å; Y208-F212 WeakPolarHBondContact O-CD2 3.4Å; Y208-F212 PolarHBondContact O-N 3.07Å; Y208-F212 VanDerWaalsContact O-N 3.1Å; D210-F212 PolarHBondContact O-N 2.92Å; F212-G214 PolarHBondContact O-N 2.86Å; F212-G214 VanDerWaalsContact O-N 3.1Å
213K91.9Very high93.7Very high162 Ų16233.8 Ų33.870%0.70415%0.153SC*.THydrogen-bonded Turntrans46.839.2-173.8-55.9-177.2-179.4-178.80111.9V179 G180 R209 D210 I211V179-K213 HydrophobicContact CG1-CB 4.06Å; V179-K213 HydrophobicContact CG1-CD 3.99Å; V179-K213 HydrophobicContact CG1-CG 4.08Å; G180-K213 WeakPolarHBondContact CA-O 3.31Å; R209-K213 CarbonylContact O-C 3.58Å; R209-K213 VanDerWaalsContact O-CA 3.3Å; R209-K213 WeakPolarHBondContact O-CA 3.49Å; R209-K213 PolarHBondContact O-N 2.85Å; D210-K213 PolarHBondContact O-N 3.26Å; I211-K213 VanDerWaalsContact C-N 3.31Å
214G94.3Very high93.6Very high8 Ų834 Ų348%0.08216%0.155CC..  trans-88.7-154.9-173.300000112.5V182 R209 F212V182-G214 CarbonylContact O-C 3.56Å; V182-G214 WeakPolarHBondContact O-CA 3.29Å; R209-G214 PolarHBondContact O-N 2.77Å; F212-G214 PolarHBondContact O-N 2.86Å; F212-G214 VanDerWaalsContact O-N 3.1Å
215R97.2Very high93.4Very high161 Ų16134.4 Ų34.461%0.60816%0.158SC*.EExtended strand (participates in β ladder)trans-124.9141.7174.3-57-177.8-163.5172.74.3111.5V182 V183 V184 D248V182-R215 PolarHBondContact O-N 3.04Å; V183-R215 WeakPolarHBondContact CA-O 3.1Å; V183-R215 HydrophobicContact CG1-CB 4.49Å; V183-R215 HydrophobicContact CG2-CB 4.43Å; V184-R215 WeakPolarHBondContact CG2-O 3.36Å; V184-R215 PolarHBondContact N-O 3.42Å; R215-D248 VanDerWaalsContact CA-OD2 3.24Å; R215-D248 WeakPolarHBondContact CA-OD2 3.48Å; R215-D248 HydrophobicContact CB-CB 4.19Å; R215-D248 HydrophobicContact CG-CB 4.45Å
216L98.2Very high92.7Very high2 Ų238 Ų381%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-112.4120.4171.9172.250.3000109.3V184 F186 N205 Q206 R209 V245 T246 W247 D248 A249V184-L216 HydrophobicContact CG2-CB 4.35Å; V184-L216 HydrophobicContact CG2-CD1 4.22Å; V184-L216 WeakPolarHBondContact O-CA 3.36Å; F186-L216 HydrophobicContact CB-CD1 4.31Å; N205-L216 HydrophobicContact CB-CD1 3.81Å; N205-L216 HydrophobicContact CB-CD2 4.4Å; Q206-L216 HydrophobicContact CB-CD2 4.29Å; R209-L216 HydrophobicContact CB-CB 4.05Å; R209-L216 HydrophobicContact CG-CB 3.87Å; L216-V245 HydrophobicContact CD2-CG1 4.12Å; L216-T246 VanDerWaalsContact CD2-O 3.31Å; L216-T246 WeakPolarHBondContact CD2-O 3.48Å; L216-W247 HydrophobicContact CG-CB 4.41Å; L216-W247 WeakPolarHBondContact O-CB 3.32Å; L216-D248 PolarHBondContact N-OD2 3.16Å; L216-D248 PolarHBondContact O-N 2.69Å; L216-A249 PolarHBondContact O-N 3.15Å
217I98.4Very high92Very high13 Ų1342.2 Ų42.27%0.06720%0.195CC..EExtended strand (participates in β ladder)trans-94.5123.3172.8-52.2178.4000108.9V183 V184 R185 F186 R219 A249 E372 V374V183-I217 HydrophobicContact CG1-CD1 3.82Å; V183-I217 HydrophobicContact CG1-CG1 4.16Å; V184-I217 PolarHBondContact O-N 3Å; R185-I217 CarbonylContact C-O 3.52Å; R185-I217 WeakPolarHBondContact CA-O 3.15Å; R185-I217 HydrophobicContact CB-CB 4.07Å; R185-I217 WeakPolarHBondContact CB-O 3.49Å; F186-I217 PolarHBondContact N-O 2.92Å; I217-R219 HydrophobicContact CG2-CB 4.34Å; I217-A249 WeakPolarHBondContact CA-O 3.36Å; I217-A249 HydrophobicContact CG1-CB 4.45Å; I217-E372 HydrophobicContact CD1-CB 3.88Å; I217-V374 HydrophobicContact CD1-CG2 4.27Å
218L98.3Very high91.3Very high3 Ų341.7 Ų41.72%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-88.1106.7164.5175.962.2000108.1F186 P188 F220 L237 L240 W247 A249 I250 S251F186-L218 HydrophobicContact CD1-CD1 3.78Å; F186-L218 HydrophobicContact CE1-CD1 4.47Å; P188-L218 HydrophobicContact CG-CD1 3.85Å; L218-F220 HydrophobicContact CD2-CE2 4.28Å; L218-F220 HydrophobicContact CD2-CZ 4.4Å; L218-F220 HydrophobicContact CG-CE2 4.41Å; L218-L237 HydrophobicContact CD2-CD2 3.71Å; L218-L240 HydrophobicContact CD1-CD1 3.68Å; L218-L240 HydrophobicContact CD2-CD1 3.94Å; L218-L240 HydrophobicContact CG-CD1 4.48Å; L218-W247 HydrophobicContact CB-CB 3.89Å; L218-W247 HydrophobicContact CB-CD2 3.91Å; L218-W247 HydrophobicContact CB-CE3 4.39Å; L218-W247 HydrophobicContact CB-CG 3.68Å; L218-W247 HydrophobicContact CD2-CD2 3.66Å; L218-W247 HydrophobicContact CD2-CE3 3.8Å; L218-W247 HydrophobicContact CD2-CG 4.3Å; L218-W247 HydrophobicContact CD2-CH2 3.94Å; L218-W247 HydrophobicContact CD2-CZ2 3.8Å; L218-W247 HydrophobicContact CD2-CZ3 3.94Å; L218-W247 HydrophobicContact CG-CD2 4.43Å; L218-A249 PolarHBondContact N-O 3.47Å; L218-I250 HydrophobicContact CD2-CD1 4.33Å; L218-I250 VanDerWaalsContact O-CA 3.3Å; L218-I250 WeakPolarHBondContact O-CA 3.42Å; L218-S251 PolarHBondContact O-N 3.42Å
219R97.2Very high90.6Very high3 Ų347.2 Ų47.21%0.01122%0.217CC..EExtended strand (participates in β ladder)trans-112.9115.6-178.3-178.8175.967.4-135.54.7111F186 P187 P188 I217 D221 S251 D369 E372F186-R219 PolarHBondContact O-N 3.5Å; F186-R219 VanDerWaalsContact O-N 3.09Å; P187-R219 CarbonylContact C-O 3.57Å; P187-R219 WeakPolarHBondContact CA-O 3.28Å; P188-R219 WeakPolarHBondContact CD-O 3.49Å; I217-R219 HydrophobicContact CG2-CB 4.34Å; R219-D221 PolarHBondContact O-N 2.73Å; R219-S251 CarbonylContact C-O 3.57Å; R219-S251 WeakPolarHBondContact CA-O 3.48Å; R219-D369 IonicContact CZ-OD1 3.64Å; R219-D369 VanDerWaalsContact CZ-OD1 3.22Å; R219-D369 IonicContact NH1-OD1 2.67Å; R219-D369 PolarHBondContact NH1-OD1 3.4Å; R219-D369 IonicContact NH2-OD1 2.73Å; R219-D369 PolarHBondContact NH2-OD1 3.18Å; R219-E372 WeakPolarHBondContact CD-OE2 3.15Å; R219-E372 IonicContact CZ-OE2 3.08Å; R219-E372 IonicContact NH1-OE2 3.51Å; R219-E372 PolarHBondContact NH1-OE2 2.56Å
220F95Very high89.8Confident4 Ų449.6 Ų49.62%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-70.2118.4170.3-72.9-76.6000109.8P188 A190 L218 D222 E233 I236 L237 I250 S251 S252 T253P188-F220 HydrophobicContact CG-CD1 4.22Å; P188-F220 HydrophobicContact CG-CE1 4.15Å; A190-F220 HydrophobicContact CB-CD1 4.12Å; A190-F220 HydrophobicContact CB-CE1 4.46Å; L218-F220 HydrophobicContact CD2-CE2 4.28Å; L218-F220 HydrophobicContact CD2-CZ 4.4Å; L218-F220 HydrophobicContact CG-CE2 4.41Å; F220-D222 VanDerWaalsContact C-N 3.34Å; F220-D222 PolarHBondContact O-N 2.67Å; F220-D222 VanDerWaalsContact O-N 3.13Å; F220-E233 HydrophobicContact CD1-CG 4.07Å; F220-E233 HydrophobicContact CD2-CG 4.15Å; F220-E233 HydrophobicContact CE1-CB 4.35Å; F220-E233 HydrophobicContact CE1-CG 3.64Å; F220-E233 HydrophobicContact CE2-CG 3.72Å; F220-E233 HydrophobicContact CG-CG 4.3Å; F220-E233 HydrophobicContact CZ-CB 4.49Å; F220-E233 HydrophobicContact CZ-CG 3.46Å; F220-E233 VanDerWaalsContact CZ-CG 3.46Å; F220-I236 HydrophobicContact CE1-CB 4.08Å; F220-I236 HydrophobicContact CE1-CD1 3.86Å; F220-I236 HydrophobicContact CE1-CG2 3.77Å; F220-I236 HydrophobicContact CZ-CB 4.32Å; F220-I236 HydrophobicContact CZ-CG2 3.89Å; F220-L237 HydrophobicContact CE2-CD2 4.16Å; F220-L237 HydrophobicContact CE2-CG 4.38Å; F220-L237 HydrophobicContact CZ-CD2 4.14Å; F220-L237 HydrophobicContact CZ-CG 4.05Å; F220-I250 HydrophobicContact CE2-CD1 4.11Å; F220-I250 HydrophobicContact CE2-CG1 4.49Å; F220-S251 PolarHBondContact N-O 3.37Å; F220-S252 WeakPolarHBondContact O-CA 3.38Å; F220-T253 PolarHBondContact O-N 3.08Å
221D93.1Very high89.1Confident17 Ų1749.2 Ų49.29%0.09123%0.233CC..  trans-80.389.6170.6178.310.5000108.1P188 R219 T223 Y361P188-D221 PolarHBondContact O-N 2.72Å; R219-D221 PolarHBondContact O-N 2.73Å; D221-T223 VanDerWaalsContact OD1-CG2 3.3Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.2Å; D221-T223 PolarHBondContact OD1-OG1 2.93Å; D221-Y361 WeakPolarHBondContact OD2-CD2 3.23Å
222D92.9Very high89Confident7 Ų746 Ų464%0.03722%0.215CC..  trans-103.538.1-175.464.1-26.4000111.7F220 N224 E228 S252 T253 S254 H348 R350F220-D222 VanDerWaalsContact C-N 3.34Å; F220-D222 PolarHBondContact O-N 2.67Å; F220-D222 VanDerWaalsContact O-N 3.13Å; D222-N224 PolarHBondContact O-N 3.26Å; D222-E228 WeakPolarHBondContact CA-OE1 3.26Å; D222-E228 WeakPolarHBondContact CA-OE2 3.36Å; D222-E228 WeakPolarHBondContact CB-OE2 3.39Å; D222-S252 WeakPolarHBondContact OD2-CB 3.46Å; D222-T253 WeakPolarHBondContact OD1-CA 3.3Å; D222-T253 WeakPolarHBondContact OD1-CB 3.45Å; D222-T253 PolarHBondContact OD1-N 2.68Å; D222-S254 PolarHBondContact OD1-N 2.85Å; D222-S254 WeakPolarHBondContact OD2-CB 3.49Å; D222-S254 PolarHBondContact OD2-OG 2.92Å; D222-H348 PolarHBondContact O-NE2 3.14Å; D222-H348 IonicContact OD2-CE1 3.1Å; D222-H348 PolarHBondContact OD2-CE1 3.4Å; D222-H348 VanDerWaalsContact OD2-CE1 3.26Å; D222-H348 IonicContact OD2-NE2 2.59Å; D222-R350 WeakPolarHBondContact OD2-CD 3.04Å; D222-R350 IonicContact OD2-NE 2.87Å
223T91.7Very high88.7Confident9 Ų946.5 Ų46.56%0.05522%0.218CC..  trans-79.9-3-17856.10000113.5D221 E228 T253 F257 R342 Y358 P359 A364D221-T223 VanDerWaalsContact OD1-CG2 3.3Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.2Å; D221-T223 PolarHBondContact OD1-OG1 2.93Å; T223-E228 PolarHBondContact N-OE1 3.22Å; T223-T253 HydrophobicContact CG2-CG2 3.35Å; T223-F257 HydrophobicContact CG2-CE1 4.31Å; T223-R342 PolarHBondContact O-NH2 2.87Å; T223-Y358 VanDerWaalsContact O-CB 3.3Å; T223-Y358 WeakPolarHBondContact O-CB 3.5Å; T223-P359 WeakPolarHBondContact CB-O 3.42Å; T223-P359 HydrophobicContact CG2-CG 3.98Å; T223-A364 HydrophobicContact CG2-CB 3.9Å
224N90.7Very high88.5Confident10 Ų1044.7 Ų44.75%0.05321%0.21CC..  trans-129.891-170.4-164.342.3000114.3D222 D226 K227 E228 R342 K344D222-N224 PolarHBondContact O-N 3.26Å; N224-D226 VanDerWaalsContact C-N 3.26Å; N224-D226 PolarHBondContact ND2-OD1 2.99Å; N224-D226 PolarHBondContact O-N 3.42Å; N224-D226 PolarHBondContact OD1-OD1 2.94Å; N224-K227 VanDerWaalsContact ND2-CD 3.31Å; N224-K227 WeakPolarHBondContact ND2-CD 3.38Å; N224-K227 VanDerWaalsContact ND2-CG 3.32Å; N224-K227 WeakPolarHBondContact ND2-CG 3.21Å; N224-K227 PolarHBondContact O-N 3.5Å; N224-E228 WeakPolarHBondContact CA-OE1 3.31Å; N224-E228 PolarHBondContact N-OE1 3.2Å; N224-R342 VanDerWaalsContact CA-NH2 3.3Å; N224-R342 VanDerWaalsContact CB-NH2 3.25Å; N224-R342 VanDerWaalsContact CG-NH2 3.32Å; N224-R342 PolarHBondContact OD1-NH2 3.19Å; N224-K344 PolarHBondContact OD1-NZ 2.87Å
225P86.3Confident88.1Confident9 Ų945.2 Ų45.26%0.05821%0.213CC..THydrogen-bonded Turntrans-64.2-20.8-166.428.2-39.2000115.5K344 E346 H348 Y358P225-K344 HydrophobicContact CG-CB 4.27Å; P225-K344 HydrophobicContact CG-CD 4.15Å; P225-E346 HydrophobicContact CB-CB 4.44Å; P225-E346 HydrophobicContact CG-CB 4.38Å; P225-H348 HydrophobicContact CB-CB 4.18Å; P225-Y358 HydrophobicContact CB-CE1 4.45Å; P225-Y358 HydrophobicContact CG-CD1 4.48Å; P225-Y358 HydrophobicContact CG-CD2 4.08Å; P225-Y358 HydrophobicContact CG-CE1 4.14Å; P225-Y358 HydrophobicContact CG-CE2 3.69Å; P225-Y358 HydrophobicContact CG-CG 4.46Å
226D81Confident87.9Confident78 Ų7837.6 Ų37.642%0.41718%0.184SC..THydrogen-bonded Turntrans-85.9-18-176.162-29.6000114.4N224 K344 E346N224-D226 VanDerWaalsContact C-N 3.26Å; N224-D226 PolarHBondContact ND2-OD1 2.99Å; N224-D226 PolarHBondContact O-N 3.42Å; N224-D226 PolarHBondContact OD1-OD1 2.94Å; D226-K344 IonicContact OD1-NZ 2.72Å; D226-K344 PolarHBondContact OD1-NZ 3.06Å; D226-K344 IonicContact OD2-NZ 2.72Å; D226-K344 PolarHBondContact OD2-NZ 3.17Å; D226-E346 HydrophobicContact CB-CG 4.48Å
227K78.8Confident87.6Confident101 Ų10140 Ų4044%0.43920%0.197SC..THydrogen-bonded Turntrans-108.1-18.9-174.9-70.8-171.5-166158.50114.3S191 N224S191-K227 WeakPolarHBondContact CA-O 3.32Å; N224-K227 VanDerWaalsContact ND2-CD 3.31Å; N224-K227 WeakPolarHBondContact ND2-CD 3.38Å; N224-K227 VanDerWaalsContact ND2-CG 3.32Å; N224-K227 WeakPolarHBondContact ND2-CG 3.21Å; N224-K227 PolarHBondContact O-N 3.5Å
228E76.9Confident87.1Confident19 Ų1942.7 Ų42.79%0.08922%0.217CC..  trans-81.2139.8-173.7-69.2157.9-147.200111.4A190 D222 T223 N224 V349A190-E228 WeakPolarHBondContact O-CA 3.49Å; D222-E228 WeakPolarHBondContact CA-OE1 3.26Å; D222-E228 WeakPolarHBondContact CA-OE2 3.36Å; D222-E228 WeakPolarHBondContact CB-OE2 3.39Å; T223-E228 PolarHBondContact N-OE1 3.22Å; N224-E228 WeakPolarHBondContact CA-OE1 3.31Å; N224-E228 PolarHBondContact N-OE1 3.2Å; E228-V349 HydrophobicContact CB-CG2 3.99Å
229K76.6Confident86.9Confident121 Ų12142.7 Ų42.753%0.52622%0.216SC..  trans-137.7138.6175.7-55.8-173179.4-1780110.4A190 C231 F232 E233A190-K229 PolarHBondContact O-N 3.34Å; A190-K229 VanDerWaalsContact O-N 3.11Å; K229-C231 PolarHBondContact O-N 2.92Å; K229-C231 VanDerWaalsContact O-N 3.15Å; K229-F232 HydrophobicContact CB-CD2 3.67Å; K229-F232 HydrophobicContact CB-CE2 3.95Å; K229-F232 HydrophobicContact CD-CD2 4.4Å; K229-F232 HydrophobicContact CD-CE2 3.8Å; K229-F232 HydrophobicContact CD-CZ 4.45Å; K229-F232 HydrophobicContact CG-CD2 4.11Å; K229-F232 HydrophobicContact CG-CE2 3.93Å; K229-F232 PolarHBondContact O-N 2.91Å; K229-E233 PolarHBondContact O-N 3.43Å
230E76.6Confident86.7Confident110 Ų11042.5 Ų42.551%0.51422%0.216SC..Hα-helixtrans-56.4-31.8178.4-165.9-167.9156.700112.7F232 E233 K234E230-F232 VanDerWaalsContact C-N 3.33Å; E230-F232 PolarHBondContact O-N 3.42Å; E230-E233 PolarHBondContact O-N 3.47Å; E230-K234 WeakPolarHBondContact O-CG 3.39Å; E230-K234 PolarHBondContact O-N 3.44Å; E230-K234 VanDerWaalsContact O-N 3.1Å; E230-K234 WeakPolarHBondContact OE1-CE 3.28Å; E230-K234 IonicContact OE1-NZ 3.8Å; E230-K234 PolarHBondContact OE1-NZ 2.79Å
231C76.3Confident86.6Confident67 Ų6745.5 Ų45.545%0.45324%0.236SC..Hα-helixtrans-64.9-34.1177.360.50000113.2K229 S235K229-C231 PolarHBondContact O-N 2.92Å; K229-C231 VanDerWaalsContact O-N 3.15Å; C231-S235 PolarHBondContact O-N 3.09Å
232F86.1Confident86.5Confident25 Ų2550.6 Ų50.611%0.1125%0.254CS..Hα-helixtrans-73.3-37.9177.2-62.4-49.6000111.4A190 S191 Y193 K229 E230 S235 I236A190-F232 HydrophobicContact CB-CB 4.31Å; A190-F232 WeakPolarHBondContact O-CB 3.23Å; A190-F232 VanDerWaalsContact O-CD2 3.29Å; A190-F232 WeakPolarHBondContact O-CD2 3.43Å; S191-F232 VanDerWaalsContact C-CD2 3.46Å; Y193-F232 HydrophobicContact CD2-CD1 4.1Å; Y193-F232 AromaticContact CD2-CE1 3.82Å; Y193-F232 HydrophobicContact CD2-CE1 3.82Å; Y193-F232 AromaticContact CE2-CD1 3.92Å; Y193-F232 HydrophobicContact CE2-CD1 3.92Å; Y193-F232 AromaticContact CE2-CE1 3.48Å; Y193-F232 HydrophobicContact CE2-CE1 3.48Å; Y193-F232 VanDerWaalsContact CE2-CE1 3.48Å; K229-F232 HydrophobicContact CB-CD2 3.67Å; K229-F232 HydrophobicContact CB-CE2 3.95Å; K229-F232 HydrophobicContact CD-CD2 4.4Å; K229-F232 HydrophobicContact CD-CE2 3.8Å; K229-F232 HydrophobicContact CD-CZ 4.45Å; K229-F232 HydrophobicContact CG-CD2 4.11Å; K229-F232 HydrophobicContact CG-CE2 3.93Å; K229-F232 PolarHBondContact O-N 2.91Å; E230-F232 VanDerWaalsContact C-N 3.33Å; E230-F232 PolarHBondContact O-N 3.42Å; F232-S235 PolarHBondContact O-N 3.05Å; F232-I236 WeakPolarHBondContact O-CB 3.24Å; F232-I236 WeakPolarHBondContact O-CD1 3.17Å; F232-I236 VanDerWaalsContact O-CG1 3.22Å; F232-I236 WeakPolarHBondContact O-CG1 3.44Å; F232-I236 PolarHBondContact O-N 2.88Å
233E86.2Confident86.4Confident47 Ų4750.3 Ų50.322%0.2225%0.252CS..Hα-helixtrans-59-48.6174.1-165.6-178.6145.700110.9A190 F220 K229 E230 S235 I236 L237A190-E233 HydrophobicContact CB-CB 4.29Å; F220-E233 HydrophobicContact CD1-CG 4.07Å; F220-E233 HydrophobicContact CD2-CG 4.15Å; F220-E233 HydrophobicContact CE1-CB 4.35Å; F220-E233 HydrophobicContact CE1-CG 3.64Å; F220-E233 HydrophobicContact CE2-CG 3.72Å; F220-E233 HydrophobicContact CG-CG 4.3Å; F220-E233 HydrophobicContact CZ-CB 4.49Å; F220-E233 HydrophobicContact CZ-CG 3.46Å; F220-E233 VanDerWaalsContact CZ-CG 3.46Å; K229-E233 PolarHBondContact O-N 3.43Å; E230-E233 PolarHBondContact O-N 3.47Å; E233-S235 VanDerWaalsContact C-N 3.32Å; E233-S235 PolarHBondContact O-N 2.94Å; E233-I236 PolarHBondContact O-N 3.34Å; E233-L237 HydrophobicContact CG-CD1 4.37Å; E233-L237 WeakPolarHBondContact O-CG 3.47Å; E233-L237 PolarHBondContact O-N 3.49Å
234K86.3Confident86.3Confident124 Ų12452.1 Ų52.154%0.53927%0.273SS..Hα-helixtrans-58.5-41.6174.8-71.4175.1-176.4166.70112.3E230 S238E230-K234 WeakPolarHBondContact O-CG 3.39Å; E230-K234 PolarHBondContact O-N 3.44Å; E230-K234 VanDerWaalsContact O-N 3.1Å; E230-K234 WeakPolarHBondContact OE1-CE 3.28Å; E230-K234 IonicContact OE1-NZ 3.8Å; E230-K234 PolarHBondContact OE1-NZ 2.79Å; K234-S238 WeakPolarHBondContact O-CB 3.3Å; K234-S238 PolarHBondContact O-N 3.03Å
235S87.2Confident86.5Confident20 Ų2051.8 Ų51.814%0.1427%0.271CS..Hα-helixtrans-64.6-44.4176.4-167.20000112.2Y193 C231 F232 E233 L237 S238 D239Y193-S235 WeakPolarHBondContact CD1-OG 3.36Å; Y193-S235 VanDerWaalsContact CE1-OG 3.27Å; Y193-S235 WeakPolarHBondContact CE1-OG 3.35Å; C231-S235 PolarHBondContact O-N 3.09Å; F232-S235 PolarHBondContact O-N 3.05Å; E233-S235 VanDerWaalsContact C-N 3.32Å; E233-S235 PolarHBondContact O-N 2.94Å; S235-L237 VanDerWaalsContact C-N 3.34Å; S235-L237 PolarHBondContact O-N 3.19Å; S235-S238 PolarHBondContact O-N 2.8Å; S235-S238 VanDerWaalsContact O-N 3.12Å; S235-D239 WeakPolarHBondContact O-CB 3.39Å; S235-D239 PolarHBondContact O-N 3.29Å; S235-D239 PolarHBondContact OG-OD2 2.81Å
236I91.6Very high86.9Confident0 Ų054.9 Ų54.90%029%0.29CS..Hα-helixtrans-59.5-46.4178.2-71.7162.2000110.4P188 A190 L194 F220 F232 E233 S238 D239 L240P188-I236 HydrophobicContact CB-CD1 4.26Å; P188-I236 HydrophobicContact CG-CG2 4.11Å; A190-I236 HydrophobicContact CB-CD1 4.21Å; L194-I236 HydrophobicContact CD1-CG1 4.34Å; L194-I236 HydrophobicContact CD1-CG2 4.22Å; L194-I236 HydrophobicContact CD2-CD1 4.4Å; L194-I236 HydrophobicContact CD2-CG1 3.87Å; L194-I236 HydrophobicContact CG-CG1 3.84Å; F220-I236 HydrophobicContact CE1-CB 4.08Å; F220-I236 HydrophobicContact CE1-CD1 3.86Å; F220-I236 HydrophobicContact CE1-CG2 3.77Å; F220-I236 HydrophobicContact CZ-CB 4.32Å; F220-I236 HydrophobicContact CZ-CG2 3.89Å; F232-I236 WeakPolarHBondContact O-CB 3.24Å; F232-I236 WeakPolarHBondContact O-CD1 3.17Å; F232-I236 VanDerWaalsContact O-CG1 3.22Å; F232-I236 WeakPolarHBondContact O-CG1 3.44Å; F232-I236 PolarHBondContact O-N 2.88Å; E233-I236 PolarHBondContact O-N 3.34Å; I236-S238 PolarHBondContact O-N 3.38Å; I236-D239 PolarHBondContact O-N 2.96Å; I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.31Å; I236-L240 WeakPolarHBondContact O-CG 3.1Å; I236-L240 PolarHBondContact O-N 3.29Å; I236-L240 VanDerWaalsContact O-N 3.08Å
237L92.3Very high87.6Confident54 Ų5454.5 Ų54.528%0.28328%0.283SS..Hα-helixtrans-64.4-27.8177.5-69.2171.3000112.9L218 F220 E233 S235 P241 W247 I250L218-L237 HydrophobicContact CD2-CD2 3.71Å; F220-L237 HydrophobicContact CE2-CD2 4.16Å; F220-L237 HydrophobicContact CE2-CG 4.38Å; F220-L237 HydrophobicContact CZ-CD2 4.14Å; F220-L237 HydrophobicContact CZ-CG 4.05Å; E233-L237 HydrophobicContact CG-CD1 4.37Å; E233-L237 WeakPolarHBondContact O-CG 3.47Å; E233-L237 PolarHBondContact O-N 3.49Å; S235-L237 VanDerWaalsContact C-N 3.34Å; S235-L237 PolarHBondContact O-N 3.19Å; L237-P241 WeakPolarHBondContact O-CD 3.31Å; L237-P241 WeakPolarHBondContact O-CG 3.37Å; L237-W247 HydrophobicContact CD2-CH2 3.88Å; L237-W247 HydrophobicContact CD2-CZ2 3.61Å; L237-I250 HydrophobicContact CD2-CD1 3.9Å
238S89.2Confident88.5Confident69 Ų6953.4 Ų53.448%0.48328%0.281SS..Hα-helixtrans-80.7-40.4174.7-174.60000112.8K234 S235 I236 R242K234-S238 WeakPolarHBondContact O-CB 3.3Å; K234-S238 PolarHBondContact O-N 3.03Å; S235-S238 PolarHBondContact O-N 2.8Å; S235-S238 VanDerWaalsContact O-N 3.12Å; I236-S238 PolarHBondContact O-N 3.38Å; S238-R242 WeakPolarHBondContact O-CD 3.32Å; S238-R242 VanDerWaalsContact O-CG 3.29Å; S238-R242 WeakPolarHBondContact O-CG 3.28Å
239D92.4Very high89.4Confident2 Ų254.7 Ų54.71%0.01130%0.295CS..Hα-helixtrans-75.8-37.6-174.5-78.1-29.9000113.2L194 S235 I236 R242 I243 V442 S443L194-D239 HydrophobicContact CD1-CB 4.35Å; S235-D239 WeakPolarHBondContact O-CB 3.39Å; S235-D239 PolarHBondContact O-N 3.29Å; S235-D239 PolarHBondContact OG-OD2 2.81Å; I236-D239 PolarHBondContact O-N 2.96Å; D239-R242 WeakPolarHBondContact O-CB 3.36Å; D239-R242 PolarHBondContact O-N 3.19Å; D239-R242 IonicContact OD1-NH1 2.8Å; D239-R242 PolarHBondContact OD1-NH1 3.38Å; D239-I243 PolarHBondContact O-N 2.87Å; D239-V442 HydrophobicContact CB-CB 4.27Å; D239-V442 HydrophobicContact CB-CG1 3.9Å; D239-S443 PolarHBondContact OD1-OG 3.2Å; D239-S443 PolarHBondContact OD2-OG 3.48Å
240L94.5Very high90.3Very high0 Ų053.2 Ų53.20%029%0.292CS..Hα-helixtrans-60.2-47.8-177.2-73.6173.8000113.3F186 L194 A202 L218 I236 R242 I243 G244 V245 W247F186-L240 HydrophobicContact CD1-CD1 4.09Å; F186-L240 HydrophobicContact CD1-CD2 4.16Å; F186-L240 HydrophobicContact CE1-CD1 4.08Å; F186-L240 HydrophobicContact CE1-CD2 3.83Å; F186-L240 HydrophobicContact CE1-CG 4.5Å; L194-L240 HydrophobicContact CD1-CD2 3.74Å; L194-L240 HydrophobicContact CD1-CG 3.86Å; A202-L240 HydrophobicContact CB-CD2 3.73Å; L218-L240 HydrophobicContact CD1-CD1 3.68Å; L218-L240 HydrophobicContact CD2-CD1 3.94Å; L218-L240 HydrophobicContact CG-CD1 4.48Å; I236-L240 HydrophobicContact CG2-CD1 3.81Å; I236-L240 HydrophobicContact CG2-CG 4.31Å; I236-L240 WeakPolarHBondContact O-CG 3.1Å; I236-L240 PolarHBondContact O-N 3.29Å; I236-L240 VanDerWaalsContact O-N 3.08Å; L240-R242 VanDerWaalsContact C-N 3.28Å; L240-R242 PolarHBondContact O-N 2.92Å; L240-I243 HydrophobicContact CD2-CD1 4.38Å; L240-I243 WeakPolarHBondContact O-CG1 3.47Å; L240-I243 PolarHBondContact O-N 3.11Å; L240-G244 PolarHBondContact O-N 2.94Å; L240-V245 CarbonylContact C-O 3.55Å; L240-V245 HydrophobicContact CB-CB 4.29Å; L240-V245 HydrophobicContact CD2-CB 4.25Å; L240-V245 HydrophobicContact CD2-CG1 4.26Å; L240-V245 PolarHBondContact O-N 2.67Å; L240-W247 HydrophobicContact CB-CZ3 3.75Å; L240-W247 HydrophobicContact CD1-CE3 4.43Å; L240-W247 HydrophobicContact CD1-CZ3 4Å
241P93Very high91.3Very high67 Ų6748.8 Ų48.844%0.43527%0.273SS..Hα-helixtrans-62.6-32.5174.7-24.835.8000113.5L237 I243 G244 W247L237-P241 WeakPolarHBondContact O-CD 3.31Å; L237-P241 WeakPolarHBondContact O-CG 3.37Å; P241-I243 PolarHBondContact O-N 2.92Å; P241-G244 PolarHBondContact O-N 2.87Å; P241-W247 HydrophobicContact CG-CH2 4.1Å; P241-W247 HydrophobicContact CG-CZ3 4.25Å
242R89.6Confident92.2Very high123 Ų12345.8 Ų45.846%0.46425%0.253SS..Hα-helixtrans-65.2-26.8179-67.3171.469.1-168.85.3112.9S238 D239 L240 L446 A452S238-R242 WeakPolarHBondContact O-CD 3.32Å; S238-R242 VanDerWaalsContact O-CG 3.29Å; S238-R242 WeakPolarHBondContact O-CG 3.28Å; D239-R242 WeakPolarHBondContact O-CB 3.36Å; D239-R242 PolarHBondContact O-N 3.19Å; D239-R242 IonicContact OD1-NH1 2.8Å; D239-R242 PolarHBondContact OD1-NH1 3.38Å; L240-R242 VanDerWaalsContact C-N 3.28Å; L240-R242 PolarHBondContact O-N 2.92Å; R242-L446 HydrophobicContact CB-CD1 3.88Å; R242-A452 WeakPolarHBondContact O-CB 3.34Å
243I92.1Very high92.7Very high2 Ų244.7 Ų44.71%0.0125%0.249CC..THydrogen-bonded Turntrans-96.49.3172.862.7169.3000112.9A199 L203 D239 L240 P241 V245 V442 L446 L455A199-I243 HydrophobicContact CB-CD1 3.96Å; L203-I243 HydrophobicContact CD1-CD1 4.46Å; L203-I243 HydrophobicContact CG-CD1 4.48Å; D239-I243 PolarHBondContact O-N 2.87Å; L240-I243 HydrophobicContact CD2-CD1 4.38Å; L240-I243 WeakPolarHBondContact O-CG1 3.47Å; L240-I243 PolarHBondContact O-N 3.11Å; P241-I243 PolarHBondContact O-N 2.92Å; I243-V245 HydrophobicContact CD1-CG2 4.07Å; I243-V245 HydrophobicContact CG1-CG2 4.02Å; I243-V442 HydrophobicContact CG2-CG1 3.56Å; I243-L446 HydrophobicContact CG2-CD1 4.16Å; I243-L446 HydrophobicContact CG2-CD2 4.39Å; I243-L455 HydrophobicContact CG2-CD2 4.12Å
244G89.3Confident93.1Very high47 Ų4742.7 Ų42.749%0.48524%0.24SC..THydrogen-bonded Turntrans8017.8176.100000115.1L240 P241L240-G244 PolarHBondContact O-N 2.94Å; P241-G244 PolarHBondContact O-N 2.87Å
245V94.2Very high93.6Very high2 Ų240.5 Ų40.51%0.01223%0.234CC..  trans-89.3127.5174.3176.80000109.4A202 L203 Q206 L216 L240 I243A202-V245 HydrophobicContact CB-CG1 4.33Å; A202-V245 HydrophobicContact CB-CG2 3.94Å; L203-V245 HydrophobicContact CD2-CG2 3.77Å; L203-V245 HydrophobicContact CG-CG2 4Å; Q206-V245 HydrophobicContact CB-CG2 4.45Å; L216-V245 HydrophobicContact CD2-CG1 4.12Å; L240-V245 CarbonylContact C-O 3.55Å; L240-V245 HydrophobicContact CB-CB 4.29Å; L240-V245 HydrophobicContact CD2-CB 4.25Å; L240-V245 HydrophobicContact CD2-CG1 4.26Å; L240-V245 PolarHBondContact O-N 2.67Å; I243-V245 HydrophobicContact CD1-CG2 4.07Å; I243-V245 HydrophobicContact CG1-CG2 4.02Å
246T94.7Very high94.1Very high75 Ų7540.9 Ų40.946%0.4623%0.234SC..  trans-123.2159173.9570000109.5Q206 L216Q206-T246 PolarHBondContact OE1-O 3.23Å; L216-T246 VanDerWaalsContact CD2-O 3.31Å; L216-T246 WeakPolarHBondContact CD2-O 3.48Å
247W96.2Very high94.4Very high70 Ų7041 Ų4127%0.26523%0.234SC..  trans-134.4150.6-178.652.787.9000110.5L216 L218 L237 L240 P241L216-W247 HydrophobicContact CG-CB 4.41Å; L216-W247 WeakPolarHBondContact O-CB 3.32Å; L218-W247 HydrophobicContact CB-CB 3.89Å; L218-W247 HydrophobicContact CB-CD2 3.91Å; L218-W247 HydrophobicContact CB-CE3 4.39Å; L218-W247 HydrophobicContact CB-CG 3.68Å; L218-W247 HydrophobicContact CD2-CD2 3.66Å; L218-W247 HydrophobicContact CD2-CE3 3.8Å; L218-W247 HydrophobicContact CD2-CG 4.3Å; L218-W247 HydrophobicContact CD2-CH2 3.94Å; L218-W247 HydrophobicContact CD2-CZ2 3.8Å; L218-W247 HydrophobicContact CD2-CZ3 3.94Å; L218-W247 HydrophobicContact CG-CD2 4.43Å; L237-W247 HydrophobicContact CD2-CH2 3.88Å; L237-W247 HydrophobicContact CD2-CZ2 3.61Å; L240-W247 HydrophobicContact CB-CZ3 3.75Å; L240-W247 HydrophobicContact CD1-CE3 4.43Å; L240-W247 HydrophobicContact CD1-CZ3 4Å; P241-W247 HydrophobicContact CG-CH2 4.1Å; P241-W247 HydrophobicContact CG-CZ3 4.25Å
248D97.6Very high94.6Very high77 Ų7741.6 Ų41.641%0.41224%0.237SC..SBendtrans-93.4-22.9-178-53.5-80.8000111.3R209 R215 L216R209-D248 IonicContact CZ-OD1 3.44Å; R209-D248 IonicContact CZ-OD2 3.78Å; R209-D248 IonicContact NE-OD1 2.7Å; R209-D248 IonicContact NE-OD2 2.82Å; R209-D248 PolarHBondContact NE-OD2 2.83Å; R209-D248 IonicContact NH2-OD1 2.9Å; R209-D248 PolarHBondContact NH2-OD1 3.38Å; R209-D248 IonicContact NH2-OD2 2.97Å; R215-D248 VanDerWaalsContact CA-OD2 3.24Å; R215-D248 WeakPolarHBondContact CA-OD2 3.48Å; R215-D248 HydrophobicContact CB-CB 4.19Å; R215-D248 HydrophobicContact CG-CB 4.45Å; L216-D248 PolarHBondContact N-OD2 3.16Å; L216-D248 PolarHBondContact O-N 2.69Å
249A95.2Very high95Very high46 Ų4642 Ų4238%0.3823%0.232SC..EExtended strand (participates in β ladder)trans-145.5151.1174.200000110.9L216 I217 L218L216-A249 PolarHBondContact O-N 3.15Å; I217-A249 WeakPolarHBondContact CA-O 3.36Å; I217-A249 HydrophobicContact CG1-CB 4.45Å; L218-A249 PolarHBondContact N-O 3.47Å
250I96.5Very high95.2Very high91 Ų9142 Ų4247%0.46723%0.231SC..EExtended strand (participates in β ladder)trans-122.6135.2173.4-169.8170.2000108.8L218 F220 L237L218-I250 HydrophobicContact CD2-CD1 4.33Å; L218-I250 VanDerWaalsContact O-CA 3.3Å; L218-I250 WeakPolarHBondContact O-CA 3.42Å; F220-I250 HydrophobicContact CE2-CD1 4.11Å; F220-I250 HydrophobicContact CE2-CG1 4.49Å; L237-I250 HydrophobicContact CD2-CD1 3.9Å
251S96.3Very high95.4Very high16 Ų1643.2 Ų43.211%0.11224%0.238CC..EExtended strand (participates in β ladder)trans-148.1171.5178.263.40000111.1L218 R219 F220 E372L218-S251 PolarHBondContact O-N 3.42Å; R219-S251 CarbonylContact C-O 3.57Å; R219-S251 WeakPolarHBondContact CA-O 3.48Å; F220-S251 PolarHBondContact N-O 3.37Å; S251-E372 VanDerWaalsContact CB-OE1 3.27Å; S251-E372 WeakPolarHBondContact CB-OE1 3.26Å; S251-E372 PolarHBondContact OG-OE1 3.42Å
252S95.2Very high95.6Very high4 Ų446.8 Ų46.83%0.02825%0.247CC..EExtended strand (participates in β ladder)trans-125.6147.2170.3-57.20000109.7F220 D222 S254 D255 R350F220-S252 WeakPolarHBondContact O-CA 3.38Å; D222-S252 WeakPolarHBondContact OD2-CB 3.46Å; S252-S254 PolarHBondContact O-N 3.31Å; S252-D255 PolarHBondContact N-OD2 3.15Å; S252-D255 VanDerWaalsContact O-CB 3.27Å; S252-D255 WeakPolarHBondContact O-CB 3.33Å; S252-D255 PolarHBondContact O-N 3.43Å; S252-R350 PolarHBondContact OG-NE 2.89Å
253T96.7Very high96Very high3 Ų342.2 Ų42.22%0.01823%0.231CC..G310 helixtrans-60-30.7175.5-67.90000112F220 D222 T223 D255 H256 F257 M260 A364 V368F220-T253 PolarHBondContact O-N 3.08Å; D222-T253 WeakPolarHBondContact OD1-CA 3.3Å; D222-T253 WeakPolarHBondContact OD1-CB 3.45Å; D222-T253 PolarHBondContact OD1-N 2.68Å; T223-T253 HydrophobicContact CG2-CG2 3.35Å; T253-D255 PolarHBondContact O-N 3.11Å; T253-H256 PolarHBondContact O-N 3.42Å; T253-H256 VanDerWaalsContact O-N 3.14Å; T253-F257 HydrophobicContact CG2-CE1 4.2Å; T253-M260 HydrophobicContact CG2-CE 3.62Å; T253-M260 HydrophobicContact CG2-SD 4.48Å; T253-M260 VanDerWaalsContact O-CE 3.25Å; T253-M260 WeakPolarHBondContact O-CE 3.39Å; T253-A364 HydrophobicContact CG2-CB 3.89Å; T253-V368 HydrophobicContact CG2-CG2 4.13Å
254S95.3Very high96.3Very high5 Ų542.1 Ų42.14%0.03523%0.231CC..G310 helixtrans-63.5-20.1174.166.20000115.3D222 S252 H256 F257 R350D222-S254 PolarHBondContact OD1-N 2.85Å; D222-S254 WeakPolarHBondContact OD2-CB 3.49Å; D222-S254 PolarHBondContact OD2-OG 2.92Å; S252-S254 PolarHBondContact O-N 3.31Å; S254-H256 PolarHBondContact O-N 3.01Å; S254-H256 VanDerWaalsContact O-N 3.16Å; S254-F257 VanDerWaalsContact CB-CE2 3.43Å; S254-F257 PolarHBondContact O-N 2.79Å; S254-R350 PolarHBondContact OG-NE 2.99Å
255D96.4Very high96.7Very high77 Ų7742.2 Ų42.241%0.41222%0.219SC..G310 helixtrans-63.4-20174.8-59-27.5000111.3S252 T253 R350S252-D255 PolarHBondContact N-OD2 3.15Å; S252-D255 VanDerWaalsContact O-CB 3.27Å; S252-D255 WeakPolarHBondContact O-CB 3.33Å; S252-D255 PolarHBondContact O-N 3.43Å; T253-D255 PolarHBondContact O-N 3.11Å; D255-R350 IonicContact OD1-CZ 2.77Å; D255-R350 IonicContact OD1-NE 3.95Å; D255-R350 IonicContact OD1-NH2 2.77Å; D255-R350 PolarHBondContact OD1-NH2 3.2Å
256H97.6Very high96.9Very high29 Ų2945.1 Ų45.113%0.13423%0.232CC..G310 helixtrans-115.315.7-176.7-50.8-81.6000113.7T253 S254 D258 E259 M260 V368 I371 E372T253-H256 PolarHBondContact O-N 3.42Å; T253-H256 VanDerWaalsContact O-N 3.14Å; S254-H256 PolarHBondContact O-N 3.01Å; S254-H256 VanDerWaalsContact O-N 3.16Å; H256-D258 VanDerWaalsContact C-N 3.34Å; H256-D258 PolarHBondContact O-N 3.27Å; H256-E259 WeakPolarHBondContact CA-OE2 3.44Å; H256-E259 PolarHBondContact O-N 2.5Å; H256-M260 HydrophobicContact CB-CE 4.05Å; H256-M260 WeakPolarHBondContact O-CE 3.49Å; H256-M260 PolarHBondContact O-N 3.03Å; H256-V368 HydrophobicContact CB-CG2 4.14Å; H256-I371 HydrophobicContact CB-CD1 4.46Å; H256-E372 IonicContact CD2-OE1 3.46Å; H256-E372 IonicContact NE2-OE1 3.71Å; H256-E372 PolarHBondContact NE2-OE1 2.99Å
257F97.9Very high97Very high3 Ų341.6 Ų41.61%0.01321%0.21CC..Hα-helixtrans-61.5-39.1-178.4-80-8.2000112.9T223 T253 S254 E259 M260 L261 H348 Y355 Y358 P359T223-F257 HydrophobicContact CG2-CE1 4.31Å; T253-F257 HydrophobicContact CG2-CE1 4.2Å; S254-F257 VanDerWaalsContact CB-CE2 3.43Å; S254-F257 PolarHBondContact O-N 2.79Å; F257-E259 PolarHBondContact O-N 3.38Å; F257-M260 HydrophobicContact CD1-CE 3.55Å; F257-M260 HydrophobicContact CE1-CE 4.09Å; F257-M260 PolarHBondContact O-N 2.88Å; F257-L261 WeakPolarHBondContact O-CB 3.15Å; F257-L261 VanDerWaalsContact O-CG 3.26Å; F257-L261 WeakPolarHBondContact O-CG 3.24Å; F257-L261 PolarHBondContact O-N 3.06Å; F257-H348 AromaticContact CE2-CD2 3.88Å; F257-H348 AromaticContact CE2-NE2 3.71Å; F257-H348 AromaticContact CZ-NE2 3.84Å; F257-Y355 HydrophobicContact CB-CD2 4.46Å; F257-Y355 HydrophobicContact CB-CE1 4.12Å; F257-Y355 HydrophobicContact CB-CE2 3.9Å; F257-Y355 AromaticContact CD2-CD2 3.6Å; F257-Y355 HydrophobicContact CD2-CD2 3.6Å; F257-Y355 AromaticContact CD2-CE2 3.61Å; F257-Y355 HydrophobicContact CD2-CE2 3.61Å; F257-Y355 HydrophobicContact CD2-CG 4.22Å; F257-Y355 HydrophobicContact CE2-CD2 4.37Å; F257-Y355 HydrophobicContact CG-CE2 4.27Å; F257-Y358 AromaticContact CE2-CD1 3.97Å; F257-Y358 HydrophobicContact CE2-CD1 3.97Å; F257-Y358 HydrophobicContact CE2-CE1 4.07Å; F257-Y358 HydrophobicContact CZ-CD1 4.06Å; F257-P359 HydrophobicContact CD1-CG 4.34Å; F257-P359 HydrophobicContact CE1-CG 4.09Å
258D97.2Very high97.1Very high65 Ų6538.2 Ų38.235%0.34820%0.198SC..Hα-helixtrans-64.5-39.8-180-76.4-41.4000111.4H256 K262 K354 Y355H256-D258 VanDerWaalsContact C-N 3.34Å; H256-D258 PolarHBondContact O-N 3.27Å; D258-K262 WeakPolarHBondContact O-CG 3.47Å; D258-K262 PolarHBondContact O-N 2.89Å; D258-K354 IonicContact OD1-NZ 3.68Å; D258-K354 IonicContact OD2-NZ 2.99Å; D258-K354 PolarHBondContact OD2-NZ 3.39Å; D258-Y355 WeakPolarHBondContact OD1-CE1 3.42Å; D258-Y355 PolarHBondContact OD1-OH 3.02Å; D258-Y355 VanDerWaalsContact OD1-OH 3.13Å; D258-Y355 PolarHBondContact OD2-OH 3.23Å
259E96.9Very high97.1Very high79 Ų7939.8 Ų39.837%0.36920%0.201SC..Hα-helixtrans-65.3-46.8173.2-70.670.8-158.700111.7H256 F257 L261 K262 L263 I371H256-E259 WeakPolarHBondContact CA-OE2 3.44Å; H256-E259 PolarHBondContact O-N 2.5Å; F257-E259 PolarHBondContact O-N 3.38Å; E259-L261 VanDerWaalsContact C-N 3.3Å; E259-L261 PolarHBondContact O-N 3.35Å; E259-K262 WeakPolarHBondContact O-CB 3.05Å; E259-K262 PolarHBondContact O-N 3.1Å; E259-L263 WeakPolarHBondContact O-CG 3.39Å; E259-L263 PolarHBondContact O-N 3.35Å; E259-I371 HydrophobicContact CB-CD1 4.15Å; E259-I371 HydrophobicContact CG-CD1 4.48Å
260M98Very high97.3Very high0 Ų041.8 Ų41.80%020%0.202CC..Hα-helixtrans-62.8-35.4179.2-80.4-171.8-86.200112.6T253 H256 F257 C264 Y341 P359 F363 A364 V367 V368T253-M260 HydrophobicContact CG2-CE 3.62Å; T253-M260 HydrophobicContact CG2-SD 4.48Å; T253-M260 VanDerWaalsContact O-CE 3.25Å; T253-M260 WeakPolarHBondContact O-CE 3.39Å; H256-M260 HydrophobicContact CB-CE 4.05Å; H256-M260 WeakPolarHBondContact O-CE 3.49Å; H256-M260 PolarHBondContact O-N 3.03Å; F257-M260 HydrophobicContact CD1-CE 3.55Å; F257-M260 HydrophobicContact CE1-CE 4.09Å; F257-M260 PolarHBondContact O-N 2.88Å; M260-C264 WeakPolarHBondContact O-CB 3.29Å; M260-C264 PolarHBondContact O-N 2.83Å; M260-Y341 WeakPolarHBondContact CB-OH 3.4Å; M260-P359 HydrophobicContact CE-CG 4.22Å; M260-P359 HydrophobicContact SD-CB 4.17Å; M260-P359 HydrophobicContact SD-CG 3.76Å; M260-F363 HydrophobicContact CB-CE1 4.14Å; M260-F363 HydrophobicContact CG-CE1 4.29Å; M260-A364 HydrophobicContact SD-CB 3.77Å; M260-V367 HydrophobicContact CG-CB 4.19Å; M260-V367 HydrophobicContact CG-CG1 3.67Å; M260-V368 HydrophobicContact CE-CG2 3.83Å; M260-V368 HydrophobicContact SD-CG2 4.11Å
261L97.3Very high97.3Very high26 Ų2639.2 Ų39.214%0.13620%0.198CC..Hα-helixtrans-63.8-44.5174.2-75.7170.8000111.6F257 E259 C264 E265 W307 Y341 Y355 V357F257-L261 WeakPolarHBondContact O-CB 3.15Å; F257-L261 VanDerWaalsContact O-CG 3.26Å; F257-L261 WeakPolarHBondContact O-CG 3.24Å; F257-L261 PolarHBondContact O-N 3.06Å; E259-L261 VanDerWaalsContact C-N 3.3Å; E259-L261 PolarHBondContact O-N 3.35Å; L261-C264 PolarHBondContact O-N 3.44Å; L261-E265 WeakPolarHBondContact O-CB 3.35Å; L261-E265 PolarHBondContact O-N 2.83Å; L261-W307 HydrophobicContact CD2-CH2 3.77Å; L261-W307 HydrophobicContact CD2-CZ2 3.51Å; L261-Y341 HydrophobicContact CD2-CE1 4.03Å; L261-Y341 PolarHBondContact N-OH 3.27Å; L261-Y355 HydrophobicContact CD1-CD1 3.77Å; L261-Y355 HydrophobicContact CD1-CE1 3.73Å; L261-V357 HydrophobicContact CD2-CG2 3.62Å
262K97.5Very high97.3Very high142 Ų14241.6 Ų41.662%0.61721%0.206SC*.Hα-helixtrans-61.3-45176.8-69.3168.3-173167.60111.4D258 E259 E265 Q266D258-K262 WeakPolarHBondContact O-CG 3.47Å; D258-K262 PolarHBondContact O-N 2.89Å; E259-K262 WeakPolarHBondContact O-CB 3.05Å; E259-K262 PolarHBondContact O-N 3.1Å; K262-E265 PolarHBondContact O-N 3.15Å; K262-Q266 PolarHBondContact O-N 2.98Å
263L98.2Very high97.5Very high27 Ų2741.5 Ų41.514%0.14121%0.205CC..Hα-helixtrans-67.3-38.2179.3-69.1169.5000112.3E259 Q266 L267 F363 V367 L397E259-L263 WeakPolarHBondContact O-CG 3.39Å; E259-L263 PolarHBondContact O-N 3.35Å; L263-Q266 WeakPolarHBondContact O-CB 3.37Å; L263-Q266 PolarHBondContact O-N 2.74Å; L263-L267 PolarHBondContact O-N 2.84Å; L263-L267 VanDerWaalsContact O-N 3.09Å; L263-F363 HydrophobicContact CB-CZ 4.33Å; L263-V367 HydrophobicContact CD1-CG1 3.46Å; L263-V367 VanDerWaalsContact CD1-CG1 3.46Å; L263-V367 HydrophobicContact CD1-CG2 4.23Å; L263-L397 HydrophobicContact CB-CD1 4.21Å; L263-L397 HydrophobicContact CB-CD2 3.8Å; L263-L397 HydrophobicContact CD1-CD1 4.44Å; L263-L397 HydrophobicContact CD2-CD2 4Å; L263-L397 HydrophobicContact CG-CD2 4.45Å; L263-L397 WeakPolarHBondContact O-CD2 3.4Å
264C98.3Very high97.6Very high0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-63.4-44.8173-173.80000111.5M260 L261 Q266 L267 I268 Y341 F363M260-C264 WeakPolarHBondContact O-CB 3.29Å; M260-C264 PolarHBondContact O-N 2.83Å; L261-C264 PolarHBondContact O-N 3.44Å; C264-Q266 VanDerWaalsContact C-N 3.29Å; C264-Q266 PolarHBondContact O-N 3.09Å; C264-L267 PolarHBondContact O-N 3.01Å; C264-L267 VanDerWaalsContact O-N 3.16Å; C264-I268 WeakPolarHBondContact O-CG1 3.32Å; C264-I268 PolarHBondContact O-N 2.78Å; C264-I268 VanDerWaalsContact O-N 3.09Å; C264-Y341 HydrophobicContact CB-CD2 3.95Å; C264-Y341 HydrophobicContact CB-CE2 3.63Å; C264-Y341 WeakPolarHBondContact SG-CD2 3.45Å; C264-F363 HydrophobicContact CB-CE1 4.38Å; C264-F363 HydrophobicContact CB-CZ 4.09Å
265E97.9Very high97.7Very high49 Ų4941.2 Ų41.223%0.22920%0.203CC..Hα-helixtrans-64.3-33.8177-165.4173.2121.600112.2L261 K262 I268 K269 L304 K311L261-E265 WeakPolarHBondContact O-CB 3.35Å; L261-E265 PolarHBondContact O-N 2.83Å; K262-E265 PolarHBondContact O-N 3.15Å; E265-I268 PolarHBondContact O-N 3.5Å; E265-K269 HydrophobicContact CG-CD 4.46Å; E265-K269 WeakPolarHBondContact O-CG 3.35Å; E265-K269 PolarHBondContact O-N 3.49Å; E265-K269 WeakPolarHBondContact OE1-CE 3.3Å; E265-K269 IonicContact OE1-NZ 3.91Å; E265-K269 PolarHBondContact OE1-NZ 2.95Å; E265-L304 HydrophobicContact CG-CD2 3.84Å; E265-K311 IonicContact OE2-NZ 2.87Å; E265-K311 PolarHBondContact OE2-NZ 3.19Å
266Q97.8Very high97.8Very high64 Ų6437.5 Ų37.530%0.29918%0.184SC..Hα-helixtrans-60.3-48.8170.4179-172.8-13.600111.5K262 L263 C264 I268 K269 E270K262-Q266 PolarHBondContact O-N 2.98Å; L263-Q266 WeakPolarHBondContact O-CB 3.37Å; L263-Q266 PolarHBondContact O-N 2.74Å; C264-Q266 VanDerWaalsContact C-N 3.29Å; C264-Q266 PolarHBondContact O-N 3.09Å; Q266-I268 VanDerWaalsContact C-N 3.25Å; Q266-I268 PolarHBondContact O-N 3.36Å; Q266-K269 PolarHBondContact O-N 2.91Å; Q266-K269 VanDerWaalsContact O-N 3.15Å; Q266-E270 HydrophobicContact CG-CG 4.35Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.36Å; Q266-E270 PolarHBondContact NE2-OE1 3.43Å; Q266-E270 WeakPolarHBondContact O-CB 3.25Å; Q266-E270 WeakPolarHBondContact O-CG 3.22Å; Q266-E270 PolarHBondContact O-N 3.21Å
267L98.1Very high97.7Very high0 Ų039.8 Ų39.80%020%0.197CC..Hα-helixtrans-59.3-38.1177.6-68.5177.1000112.2L263 C264 G271 K272 A273 I340 F363 L397L263-L267 PolarHBondContact O-N 2.84Å; L263-L267 VanDerWaalsContact O-N 3.09Å; C264-L267 PolarHBondContact O-N 3.01Å; C264-L267 VanDerWaalsContact O-N 3.16Å; L267-G271 PolarHBondContact O-N 3.33Å; L267-K272 HydrophobicContact CB-CB 4.32Å; L267-K272 HydrophobicContact CD2-CB 3.91Å; L267-K272 HydrophobicContact CD2-CD 3.92Å; L267-K272 CarbonylContact O-C 3.48Å; L267-K272 WeakPolarHBondContact O-CA 3.4Å; L267-K272 PolarHBondContact O-N 2.85Å; L267-A273 HydrophobicContact CB-CB 3.78Å; L267-A273 PolarHBondContact O-N 2.99Å; L267-A273 VanDerWaalsContact O-N 3.11Å; L267-I340 HydrophobicContact CD1-CD1 4.25Å; L267-F363 HydrophobicContact CD1-CE2 3.82Å; L267-L397 HydrophobicContact CD1-CD2 3.96Å; L267-L397 HydrophobicContact CD1-CG 4.36Å; L267-L397 HydrophobicContact CD2-CD2 3.67Å; L267-L397 HydrophobicContact CD2-CG 4.14Å; L267-L397 HydrophobicContact CG-CD2 3.54Å; L267-L397 HydrophobicContact CG-CG 4.31Å
268I98.2Very high97.6Very high0 Ų040.9 Ų40.90%020%0.204CC..Hα-helixtrans-64.9-47.6175.6-65.1169.8000110.6C264 E265 Q266 E270 G271 A273 V275 N303 L304 W307 V322C264-I268 WeakPolarHBondContact O-CG1 3.32Å; C264-I268 PolarHBondContact O-N 2.78Å; C264-I268 VanDerWaalsContact O-N 3.09Å; E265-I268 PolarHBondContact O-N 3.5Å; Q266-I268 VanDerWaalsContact C-N 3.25Å; Q266-I268 PolarHBondContact O-N 3.36Å; I268-E270 VanDerWaalsContact C-N 3.27Å; I268-E270 PolarHBondContact O-N 3.47Å; I268-G271 PolarHBondContact O-N 3.43Å; I268-A273 HydrophobicContact CG1-CB 4.02Å; I268-V275 HydrophobicContact CD1-CG2 4.42Å; I268-N303 HydrophobicContact CG2-CB 3.67Å; I268-L304 HydrophobicContact CB-CD2 4.49Å; I268-L304 HydrophobicContact CG2-CD2 3.88Å; I268-L304 HydrophobicContact CG2-CG 4.06Å; I268-W307 HydrophobicContact CD1-CB 4.04Å; I268-W307 HydrophobicContact CD1-CD2 4.2Å; I268-W307 HydrophobicContact CD1-CG 3.84Å; I268-V322 HydrophobicContact CD1-CG1 4.19Å; I268-V322 HydrophobicContact CG1-CG1 4.34Å
269K97.9Very high97.3Very high110 Ų11041.9 Ų41.948%0.47821%0.209SC..Hα-helixtrans-63.1-31.8178.8-74.9173.1-176.3165.20113.2E265 Q266 G271 L304E265-K269 HydrophobicContact CG-CD 4.46Å; E265-K269 WeakPolarHBondContact O-CG 3.35Å; E265-K269 PolarHBondContact O-N 3.49Å; E265-K269 WeakPolarHBondContact OE1-CE 3.3Å; E265-K269 IonicContact OE1-NZ 3.91Å; E265-K269 PolarHBondContact OE1-NZ 2.95Å; Q266-K269 PolarHBondContact O-N 2.91Å; Q266-K269 VanDerWaalsContact O-N 3.15Å; K269-G271 VanDerWaalsContact C-N 3.28Å; K269-L304 HydrophobicContact CG-CD1 4.15Å; K269-L304 HydrophobicContact CG-CD2 4.2Å
270E97.5Very high96.9Very high88 Ų8844 Ų4441%0.41123%0.228SC..THydrogen-bonded Turntrans-85.32.7176.6-67.2177.3-170.300113.1Q266 I268 K272Q266-E270 HydrophobicContact CG-CG 4.35Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.36Å; Q266-E270 PolarHBondContact NE2-OE1 3.43Å; Q266-E270 WeakPolarHBondContact O-CB 3.25Å; Q266-E270 WeakPolarHBondContact O-CG 3.22Å; Q266-E270 PolarHBondContact O-N 3.21Å; I268-E270 VanDerWaalsContact C-N 3.27Å; I268-E270 PolarHBondContact O-N 3.47Å; E270-K272 HydrophobicContact CB-CD 4.16Å; E270-K272 HydrophobicContact CB-CG 4.2Å; E270-K272 PolarHBondContact O-N 2.81Å; E270-K272 VanDerWaalsContact OE2-CE 3.31Å; E270-K272 WeakPolarHBondContact OE2-CE 3.47Å; E270-K272 IonicContact OE2-NZ 2.72Å; E270-K272 PolarHBondContact OE2-NZ 3.29Å
271G96.7Very high96.5Very high36 Ų3648.4 Ų48.437%0.37125%0.248SC..THydrogen-bonded Turntrans69.415.5-17900000114.5L267 I268 K269L267-G271 PolarHBondContact O-N 3.33Å; I268-G271 PolarHBondContact O-N 3.43Å; K269-G271 VanDerWaalsContact C-N 3.28Å
272K97.9Very high96.3Very high67 Ų6749.8 Ų49.829%0.29126%0.258SS..SBendtrans-92.3-6.7179.1-63.9174.8-179.61630113.1L267 E270 K325 W392 S396L267-K272 HydrophobicContact CB-CB 4.32Å; L267-K272 HydrophobicContact CD2-CB 3.91Å; L267-K272 HydrophobicContact CD2-CD 3.92Å; L267-K272 CarbonylContact O-C 3.48Å; L267-K272 WeakPolarHBondContact O-CA 3.4Å; L267-K272 PolarHBondContact O-N 2.85Å; E270-K272 HydrophobicContact CB-CD 4.16Å; E270-K272 HydrophobicContact CB-CG 4.2Å; E270-K272 PolarHBondContact O-N 2.81Å; E270-K272 VanDerWaalsContact OE2-CE 3.31Å; E270-K272 WeakPolarHBondContact OE2-CE 3.47Å; E270-K272 IonicContact OE2-NZ 2.72Å; E270-K272 PolarHBondContact OE2-NZ 3.29Å; K272-K325 WeakPolarHBondContact O-CB 3.18Å; K272-K325 PolarHBondContact O-N 2.93Å; K272-W392 HydrophobicContact CB-CH2 4.36Å; K272-W392 HydrophobicContact CB-CZ2 4.45Å; K272-S396 PolarHBondContact NZ-O 2.86Å
273A98.2Very high96Very high1 Ų143.5 Ų43.51%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-143.8155.217200000110L267 I268 V322 R323 I340L267-A273 HydrophobicContact CB-CB 3.78Å; L267-A273 PolarHBondContact O-N 2.99Å; L267-A273 VanDerWaalsContact O-N 3.11Å; I268-A273 HydrophobicContact CG1-CB 4.02Å; A273-V322 HydrophobicContact CB-CG1 4.01Å; A273-R323 VanDerWaalsContact CA-O 3.26Å; A273-R323 WeakPolarHBondContact CA-O 3.25Å; A273-R323 WeakPolarHBondContact CB-O 3.33Å; A273-I340 HydrophobicContact CB-CD1 4.18Å
274Y98.4Very high95.6Very high2 Ų248.2 Ų48.21%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-139.9160.4178.562-82.1000110.4D276 C295 R296 V322 R323 K325 D337Y274-D276 HydrophobicContact CD2-CB 4.21Å; Y274-D276 HydrophobicContact CE2-CB 3.96Å; Y274-C295 HydrophobicContact CD2-CB 4.22Å; Y274-C295 WeakPolarHBondContact CD2-O 3.44Å; Y274-C295 HydrophobicContact CE2-CB 4.38Å; Y274-R296 HydrophobicContact CD1-CG 4.31Å; Y274-R296 HydrophobicContact CE1-CB 4.25Å; Y274-R296 HydrophobicContact CE1-CG 3.79Å; Y274-R296 HydrophobicContact CE2-CB 4.07Å; Y274-V322 WeakPolarHBondContact O-CA 3.42Å; Y274-R323 HydrophobicContact CE1-CB 4.01Å; Y274-R323 HydrophobicContact CE2-CB 4.13Å; Y274-R323 PolarHBondContact N-O 2.97Å; Y274-R323 PolarHBondContact O-N 3Å; Y274-K325 HydrophobicContact CD1-CB 4Å; Y274-K325 HydrophobicContact CD1-CD 4.42Å; Y274-K325 HydrophobicContact CD1-CG 4.33Å; Y274-K325 HydrophobicContact CE1-CB 4.16Å; Y274-K325 HydrophobicContact CE1-CG 4.35Å; Y274-D337 HydrophobicContact CE1-CB 4.37Å; Y274-D337 WeakPolarHBondContact CE1-OD2 3.22Å; Y274-D337 WeakPolarHBondContact OH-CB 3.23Å; Y274-D337 PolarHBondContact OH-OD2 3.44Å
275V98.5Very high95.4Very high0 Ų051.8 Ų51.80%027%0.268CS..EExtended strand (participates in β ladder)trans-97.3130.4176.4-171.90000108.9I268 N298 N303 W306 W307 M310 C320 C321 V322I268-V275 HydrophobicContact CD1-CG2 4.42Å; V275-N298 PolarHBondContact O-ND2 2.91Å; V275-N303 HydrophobicContact CG2-CB 4.28Å; V275-N303 VanDerWaalsContact CG2-O 3.23Å; V275-N303 WeakPolarHBondContact CG2-O 3.45Å; V275-N303 PolarHBondContact N-OD1 3.17Å; V275-W306 HydrophobicContact CB-CB 3.94Å; V275-W306 HydrophobicContact CB-CE3 4.11Å; V275-W306 HydrophobicContact CG1-CB 3.66Å; V275-W306 HydrophobicContact CG1-CE3 4.04Å; V275-W306 HydrophobicContact CG2-CB 4.32Å; V275-W307 HydrophobicContact CG2-CB 4.05Å; V275-M310 HydrophobicContact CG1-SD 3.63Å; V275-C320 HydrophobicContact CG1-CB 3.69Å; V275-C321 WeakPolarHBondContact CA-O 3.43Å; V275-V322 HydrophobicContact CG2-CG2 4.4Å
276D98Very high95.2Very high0 Ų050.6 Ų50.60%026%0.263CS..EExtended strand (participates in β ladder)trans-125.9124.2-174.2-164.1-13.4000109.8Y274 T278 S293 C295 C320 C321 R323Y274-D276 HydrophobicContact CD2-CB 4.21Å; Y274-D276 HydrophobicContact CE2-CB 3.96Å; D276-T278 WeakPolarHBondContact OD1-CB 3.39Å; D276-T278 PolarHBondContact OD1-N 2.7Å; D276-T278 PolarHBondContact OD1-OG1 2.93Å; D276-S293 VanDerWaalsContact CG-OG 3.27Å; D276-S293 PolarHBondContact OD1-OG 2.84Å; D276-S293 WeakPolarHBondContact OD2-CB 3.27Å; D276-S293 PolarHBondContact OD2-OG 2.81Å; D276-C295 HydrophobicContact CB-CB 4.13Å; D276-C295 PolarHBondContact OD1-SG 3.39Å; D276-C320 CarbonylContact O-C 3.57Å; D276-C320 WeakPolarHBondContact O-CA 3.23Å; D276-C321 PolarHBondContact N-O 3.36Å; D276-C321 PolarHBondContact O-N 2.65Å; D276-R323 HydrophobicContact CB-CG 4.15Å; D276-R323 VanDerWaalsContact OD2-CD 3.24Å; D276-R323 WeakPolarHBondContact OD2-CD 3.07Å; D276-R323 IonicContact OD2-CZ 3.21Å; D276-R323 IonicContact OD2-NE 3.4Å; D276-R323 IonicContact OD2-NH1 2.81Å; D276-R323 PolarHBondContact OD2-NH1 3.12Å
277N96.2Very high95Very high76 Ų7651 Ų5141%0.40626%0.261SS..  trans-100.89.3176.871.1-24.4000113.1C295 W306 K319N277-C295 PolarHBondContact OD1-SG 3.43Å; N277-W306 HydrophobicContact CB-CZ3 4.34Å; N277-K319 WeakPolarHBondContact CA-O 3.25Å
278T94.7Very high94.6Very high27 Ų2757.3 Ų57.317%0.16629%0.291CS..SBendtrans-65.3138172.6-52.60000109.5D276 T282 I283D276-T278 WeakPolarHBondContact OD1-CB 3.39Å; D276-T278 PolarHBondContact OD1-N 2.7Å; D276-T278 PolarHBondContact OD1-OG1 2.93Å; T278-T282 HydrophobicContact CG2-CG2 3.5Å; T278-T282 VanDerWaalsContact CG2-CG2 3.5Å; T278-I283 HydrophobicContact CG2-CG1 3.9Å; T278-I283 WeakPolarHBondContact O-CD1 3.32Å
279D92.2Very high94.3Very high85 Ų8560.5 Ų60.546%0.45532%0.317SS..  trans-65.3156.4179.973.3-88.3000112.1E281 T282 I283D279-E281 VanDerWaalsContact C-N 3.3Å; D279-E281 PolarHBondContact O-N 3.11Å; D279-E281 PolarHBondContact OD2-N 3.12Å; D279-E281 VanDerWaalsContact OD2-N 3.1Å; D279-T282 VanDerWaalsContact CG-OG1 3.27Å; D279-T282 PolarHBondContact O-N 3.39Å; D279-T282 WeakPolarHBondContact OD1-CB 3.45Å; D279-T282 PolarHBondContact OD1-OG1 3.16Å; D279-T282 PolarHBondContact OD2-N 3.33Å; D279-T282 PolarHBondContact OD2-OG1 3.41Å; D279-I283 WeakPolarHBondContact O-CG1 3.44Å; D279-I283 PolarHBondContact O-N 2.81Å
280T88.2Confident94.2Very high124 Ų12460.4 Ų60.476%0.76131%0.314SS*.Hα-helixtrans-62.4-33.9-171.5-52.10000113.8R284T280-R284 PolarHBondContact O-N 3.41Å; T280-R284 VanDerWaalsContact O-N 3.1Å
281E88.3Confident94Very high92 Ų9261.5 Ų61.543%0.4332%0.319SS..Hα-helixtrans-73.2-44.5-179.2-176.559.3-148.800110.1D279 I283 R284 V285D279-E281 VanDerWaalsContact C-N 3.3Å; D279-E281 PolarHBondContact O-N 3.11Å; D279-E281 PolarHBondContact OD2-N 3.12Å; D279-E281 VanDerWaalsContact OD2-N 3.1Å; E281-I283 VanDerWaalsContact C-N 3.35Å; E281-I283 PolarHBondContact O-N 3.08Å; E281-R284 VanDerWaalsContact CD-CZ 3.47Å; E281-R284 VanDerWaalsContact CD-NH2 3.28Å; E281-R284 WeakPolarHBondContact O-CB 2.95Å; E281-R284 PolarHBondContact O-N 3.49Å; E281-R284 VanDerWaalsContact O-N 3.1Å; E281-R284 IonicContact OE1-CZ 2.96Å; E281-R284 IonicContact OE1-NE 3.76Å; E281-R284 IonicContact OE1-NH1 2.66Å; E281-R284 IonicContact OE1-NH2 2.7Å; E281-R284 PolarHBondContact OE1-NH2 3.27Å; E281-R284 IonicContact OE2-CZ 3.04Å; E281-R284 IonicContact OE2-NE 3.14Å; E281-R284 IonicContact OE2-NH1 3.95Å; E281-R284 PolarHBondContact OE2-NH1 3.11Å; E281-R284 IonicContact OE2-NH2 3.5Å; E281-R284 PolarHBondContact OE2-NH2 3.39Å; E281-V285 WeakPolarHBondContact O-CG2 3.22Å; E281-V285 PolarHBondContact O-N 2.81Å
282T93.6Very high93.8Very high55 Ų5564.6 Ų64.634%0.33733%0.325SS..Hα-helixtrans-61.4-41.5173.6-59.40000111.7T278 D279 R284 V285 Q286T278-T282 HydrophobicContact CG2-CG2 3.5Å; T278-T282 VanDerWaalsContact CG2-CG2 3.5Å; D279-T282 VanDerWaalsContact CG-OG1 3.27Å; D279-T282 PolarHBondContact O-N 3.39Å; D279-T282 WeakPolarHBondContact OD1-CB 3.45Å; D279-T282 PolarHBondContact OD1-OG1 3.16Å; D279-T282 PolarHBondContact OD2-N 3.33Å; D279-T282 PolarHBondContact OD2-OG1 3.41Å; T282-R284 VanDerWaalsContact C-N 3.29Å; T282-R284 PolarHBondContact O-N 3.07Å; T282-V285 PolarHBondContact O-N 3.3Å; T282-Q286 HydrophobicContact CG2-CG 4.31Å; T282-Q286 WeakPolarHBondContact O-CB 3.38Å; T282-Q286 WeakPolarHBondContact O-CG 3.23Å; T282-Q286 PolarHBondContact O-N 2.86Å
283I92.1Very high93.7Very high10 Ų1061.6 Ų61.65%0.05131%0.312CS..Hα-helixtrans-57.7-42.5173.3-71.2172.9000110.8T278 D279 E281 Q286 R287T278-I283 HydrophobicContact CG2-CG1 3.9Å; T278-I283 WeakPolarHBondContact O-CD1 3.32Å; D279-I283 WeakPolarHBondContact O-CG1 3.44Å; D279-I283 PolarHBondContact O-N 2.81Å; E281-I283 VanDerWaalsContact C-N 3.35Å; E281-I283 PolarHBondContact O-N 3.08Å; I283-Q286 PolarHBondContact O-N 3.13Å; I283-R287 HydrophobicContact CG2-CG 4.32Å; I283-R287 WeakPolarHBondContact O-CB 3.29Å; I283-R287 VanDerWaalsContact O-CG 3.23Å; I283-R287 WeakPolarHBondContact O-CG 3.46Å; I283-R287 PolarHBondContact O-N 2.84Å
284R89.4Confident93.4Very high127 Ų12766 Ų6648%0.47935%0.349SS..Hα-helixtrans-61.3-50.2178.2-171.9178.680.3-1456.8111.1T280 E281 T282 Q286 R287 E288T280-R284 PolarHBondContact O-N 3.41Å; T280-R284 VanDerWaalsContact O-N 3.1Å; E281-R284 VanDerWaalsContact CD-CZ 3.47Å; E281-R284 VanDerWaalsContact CD-NH2 3.28Å; E281-R284 WeakPolarHBondContact O-CB 2.95Å; E281-R284 PolarHBondContact O-N 3.49Å; E281-R284 VanDerWaalsContact O-N 3.1Å; E281-R284 IonicContact OE1-CZ 2.96Å; E281-R284 IonicContact OE1-NE 3.76Å; E281-R284 IonicContact OE1-NH1 2.66Å; E281-R284 IonicContact OE1-NH2 2.7Å; E281-R284 PolarHBondContact OE1-NH2 3.27Å; E281-R284 IonicContact OE2-CZ 3.04Å; E281-R284 IonicContact OE2-NE 3.14Å; E281-R284 IonicContact OE2-NH1 3.95Å; E281-R284 PolarHBondContact OE2-NH1 3.11Å; E281-R284 IonicContact OE2-NH2 3.5Å; E281-R284 PolarHBondContact OE2-NH2 3.39Å; T282-R284 VanDerWaalsContact C-N 3.29Å; T282-R284 PolarHBondContact O-N 3.07Å; R284-Q286 PolarHBondContact O-N 3.44Å; R284-R287 PolarHBondContact O-N 3.06Å; R284-E288 PolarHBondContact O-N 2.8Å
285V93.7Very high93.3Very high74 Ų7466.2 Ų66.245%0.44835%0.351SS..Hα-helixtrans-59.7-46.1179.2174.20000111.1E281 T282 R287 E288 A289E281-V285 WeakPolarHBondContact O-CG2 3.22Å; E281-V285 PolarHBondContact O-N 2.81Å; T282-V285 PolarHBondContact O-N 3.3Å; V285-R287 PolarHBondContact O-N 3.12Å; V285-E288 PolarHBondContact O-N 2.74Å; V285-A289 VanDerWaalsContact O-CB 3.31Å; V285-A289 WeakPolarHBondContact O-CB 3.41Å; V285-A289 PolarHBondContact O-N 2.97Å
286Q94.7Very high93.2Very high24 Ų2467.8 Ų67.811%0.11236%0.357CS..Hα-helixtrans-61.3-41.1177.3-75.5176.7-7.800112.3T282 I283 R284 A289 R290 Q291T282-Q286 HydrophobicContact CG2-CG 4.31Å; T282-Q286 WeakPolarHBondContact O-CB 3.38Å; T282-Q286 WeakPolarHBondContact O-CG 3.23Å; T282-Q286 PolarHBondContact O-N 2.86Å; I283-Q286 PolarHBondContact O-N 3.13Å; R284-Q286 PolarHBondContact O-N 3.44Å; Q286-A289 CarbonylContact O-C 3.48Å; Q286-A289 PolarHBondContact O-N 3.35Å; Q286-R290 CarbonylContact O-C 3.57Å; Q286-R290 WeakPolarHBondContact O-CA 3.4Å; Q286-R290 PolarHBondContact O-N 3.25Å; Q286-Q291 HydrophobicContact CB-CB 4.26Å; Q286-Q291 HydrophobicContact CG-CB 4.31Å; Q286-Q291 HydrophobicContact CG-CG 4.46Å; Q286-Q291 PolarHBondContact O-N 3.16Å
287R92.8Very high92.9Very high73 Ų7373.5 Ų73.528%0.27539%0.387SS..Hα-helixtrans-66.6-38.8176.9-72.9176.770.8-148.4-5.7112.5I283 R284 V285 R290 M328 G333 R336I283-R287 HydrophobicContact CG2-CG 4.32Å; I283-R287 WeakPolarHBondContact O-CB 3.29Å; I283-R287 VanDerWaalsContact O-CG 3.23Å; I283-R287 WeakPolarHBondContact O-CG 3.46Å; I283-R287 PolarHBondContact O-N 2.84Å; R284-R287 PolarHBondContact O-N 3.06Å; V285-R287 PolarHBondContact O-N 3.12Å; R287-R290 PolarHBondContact O-N 2.76Å; R287-M328 HydrophobicContact CG-CE 4.36Å; R287-G333 PolarHBondContact NH2-O 3.13Å; R287-R336 PolarHBondContact NE-O 3.19Å; R287-R336 WeakPolarHBondContact O-CD 3.3Å; R287-R336 PolarHBondContact O-NH1 2.94Å
288E88.7Confident92.9Very high132 Ų13272 Ų7262%0.61738%0.379SS*.Hα-helixtrans-65.6-43.6174.5-74.1175.3-171.500111.1R284 V285 R290R284-E288 PolarHBondContact O-N 2.8Å; V285-E288 PolarHBondContact O-N 2.74Å; E288-R290 VanDerWaalsContact C-N 3.26Å; E288-R290 PolarHBondContact O-N 2.71Å
289A92.9Very high92.9Very high67 Ų6773.4 Ų73.455%0.55439%0.39SS*.THydrogen-bonded Turntrans-78.50177.400000114.6V285 Q286 Q291V285-A289 VanDerWaalsContact O-CB 3.31Å; V285-A289 WeakPolarHBondContact O-CB 3.41Å; V285-A289 PolarHBondContact O-N 2.97Å; Q286-A289 CarbonylContact O-C 3.48Å; Q286-A289 PolarHBondContact O-N 3.35Å; A289-Q291 PolarHBondContact O-N 3.14Å
290R95.5Very high93.1Very high109 Ų10972.6 Ų72.641%0.41139%0.385SS..THydrogen-bonded Turntrans56.928.4-176.3-51.2-176.3-167.1-154.36.5113.8Q286 R287 E288 M328 S329 N331Q286-R290 CarbonylContact O-C 3.57Å; Q286-R290 WeakPolarHBondContact O-CA 3.4Å; Q286-R290 PolarHBondContact O-N 3.25Å; R287-R290 PolarHBondContact O-N 2.76Å; E288-R290 VanDerWaalsContact C-N 3.26Å; E288-R290 PolarHBondContact O-N 2.71Å; R290-M328 WeakPolarHBondContact CB-O 3.35Å; R290-S329 PolarHBondContact NH1-O 2.99Å; R290-N331 PolarHBondContact NH1-OD1 2.79Å; R290-N331 PolarHBondContact NH2-OD1 2.82Å; R290-N331 VanDerWaalsContact NH2-OD1 3.11Å
291Q92.4Very high93.5Very high110 Ų11073 Ų7351%0.51438%0.378SS..PPolyproline II helixtrans-89.6127.8-179.4-176.2179.65.700111Q286 A289 M328Q286-Q291 HydrophobicContact CB-CB 4.26Å; Q286-Q291 HydrophobicContact CG-CB 4.31Å; Q286-Q291 HydrophobicContact CG-CG 4.46Å; Q286-Q291 PolarHBondContact O-N 3.16Å; A289-Q291 PolarHBondContact O-N 3.14Å; Q291-M328 WeakPolarHBondContact O-CE 3.38Å
292M94.2Very high93.9Very high101 Ų10172.3 Ų72.350%0.49838%0.375SS..PPolyproline II helixtrans-67.5139175.2-62.6-173.3-176.100111.1M328M292-M328 HydrophobicContact CE-CB 4.45Å; M292-M328 HydrophobicContact CG-CB 3.95Å; M292-M328 HydrophobicContact CG-CG 4Å
293S94.6Very high94.1Very high4 Ų470 Ų703%0.02836%0.36CS..PPolyproline II helixtrans-66.1145.2171.5173.70000110.5D276 C295 R296D276-S293 VanDerWaalsContact CG-OG 3.27Å; D276-S293 PolarHBondContact OD1-OG 2.84Å; D276-S293 WeakPolarHBondContact OD2-CB 3.27Å; D276-S293 PolarHBondContact OD2-OG 2.81Å; S293-C295 PolarHBondContact O-N 2.82Å; S293-C295 PolarHBondContact OG-N 3.47Å; S293-R296 WeakPolarHBondContact O-CB 3.11Å; S293-R296 PolarHBondContact O-N 2.69Å; S293-R296 VanDerWaalsContact O-N 3.07Å
294A92.2Very high94.4Very high93 Ų9372 Ų7277%0.76937%0.371SS*.G310 helixtrans-60.6-28.7173.300000112.1R296A294-R296 PolarHBondContact O-N 2.79Å
295C95.8Very high94.8Very high8 Ų869.1 Ų69.15%0.05437%0.371CS..G310 helixtrans-75.4-10.8178.1-58.90000113.5Y274 D276 N277 S293 D297 N298Y274-C295 HydrophobicContact CD2-CB 4.22Å; Y274-C295 WeakPolarHBondContact CD2-O 3.44Å; Y274-C295 HydrophobicContact CE2-CB 4.38Å; D276-C295 HydrophobicContact CB-CB 4.13Å; D276-C295 PolarHBondContact OD1-SG 3.39Å; N277-C295 PolarHBondContact OD1-SG 3.43Å; S293-C295 PolarHBondContact O-N 2.82Å; S293-C295 PolarHBondContact OG-N 3.47Å; C295-D297 PolarHBondContact O-N 3.32Å; C295-N298 VanDerWaalsContact O-CB 3.3Å; C295-N298 WeakPolarHBondContact O-CB 3.39Å; C295-N298 PolarHBondContact O-N 3Å; C295-N298 VanDerWaalsContact O-N 3.15Å; C295-N298 PolarHBondContact O-ND2 3.33Å
296R96Very high95Very high33 Ų3367.1 Ų67.113%0.12536%0.355CS..G310 helixtrans-62.8-28-172.9-172.3174.4-170.3-87.8-0.1113.2Y274 S293 A294 K325 D337Y274-R296 HydrophobicContact CD1-CG 4.31Å; Y274-R296 HydrophobicContact CE1-CB 4.25Å; Y274-R296 HydrophobicContact CE1-CG 3.79Å; Y274-R296 HydrophobicContact CE2-CB 4.07Å; S293-R296 WeakPolarHBondContact O-CB 3.11Å; S293-R296 PolarHBondContact O-N 2.69Å; S293-R296 VanDerWaalsContact O-N 3.07Å; A294-R296 PolarHBondContact O-N 2.79Å; R296-K325 HydrophobicContact CG-CD 4.31Å; R296-K325 HydrophobicContact CG-CG 4.37Å; R296-K325 PolarHBondContact O-NZ 3.32Å; R296-D337 VanDerWaalsContact CD-OD2 3.28Å; R296-D337 WeakPolarHBondContact CD-OD2 3.35Å; R296-D337 IonicContact CZ-OD2 3.81Å; R296-D337 IonicContact NE-OD1 3.88Å; R296-D337 IonicContact NE-OD2 3.78Å; R296-D337 PolarHBondContact NE-OD2 2.99Å
297D93Very high95.1Very high120 Ų12066 Ų6664%0.64235%0.35SS*.G310 helixtrans-10617-179.2-62-36.5000113.2C295 K325C295-D297 PolarHBondContact O-N 3.32Å; D297-K325 IonicContact OD1-NZ 3Å; D297-K325 PolarHBondContact OD1-NZ 3.36Å
298N95.2Very high95.3Very high43 Ų4363.4 Ų63.423%0.2335%0.346CS..  trans-53.1141.6168.5-76.8-12.8000111V275 C295 Q302 N303 W306V275-N298 PolarHBondContact O-ND2 2.91Å; C295-N298 VanDerWaalsContact O-CB 3.3Å; C295-N298 WeakPolarHBondContact O-CB 3.39Å; C295-N298 PolarHBondContact O-N 3Å; C295-N298 VanDerWaalsContact O-N 3.15Å; C295-N298 PolarHBondContact O-ND2 3.33Å; N298-Q302 HydrophobicContact CB-CB 4.44Å; N298-Q302 HydrophobicContact CB-CG 4.38Å; N298-N303 WeakPolarHBondContact CB-OD1 3.36Å; N298-N303 PolarHBondContact O-ND2 2.93Å; N298-N303 VanDerWaalsContact O-ND2 3.08Å; N298-W306 VanDerWaalsContact ND2-CZ3 3.33Å; N298-W306 WeakPolarHBondContact ND2-CZ3 3.22Å
299S96Very high95.8Very high58 Ų5859 Ų5941%0.40633%0.325SS..  trans-64.2159.9174.990.70000111.4E301 Q302 N303S299-E301 VanDerWaalsContact C-N 3.26Å; S299-E301 VanDerWaalsContact CB-OE2 3.28Å; S299-E301 WeakPolarHBondContact CB-OE2 3.47Å; S299-E301 PolarHBondContact O-N 2.92Å; S299-E301 PolarHBondContact OG-N 2.91Å; S299-E301 PolarHBondContact OG-OE2 3.43Å; S299-Q302 PolarHBondContact O-N 3.3Å; S299-Q302 PolarHBondContact OG-N 3.21Å; S299-N303 PolarHBondContact O-N 3.18Å; S299-N303 PolarHBondContact O-ND2 3.34Å; S299-N303 VanDerWaalsContact O-ND2 3.08Å
300I95.9Very high96Very high67 Ų6755.8 Ų55.834%0.34430%0.299SS..Hα-helixtrans-61.3-39.7179.3-64.8166.9000110.3N303 L304I300-N303 PolarHBondContact O-N 3.41Å; I300-L304 HydrophobicContact CG2-CD1 3.89Å; I300-L304 HydrophobicContact CG2-CG 4.3Å; I300-L304 WeakPolarHBondContact O-CB 3.42Å; I300-L304 VanDerWaalsContact O-CG 3.31Å; I300-L304 WeakPolarHBondContact O-CG 3.35Å; I300-L304 PolarHBondContact O-N 3Å
301E96.1Very high96.1Very high133 Ų13354.4 Ų54.462%0.62130%0.296SS*.Hα-helixtrans-63.3-43.8178-56.471.5-154.100111.3S299 L304 S305S299-E301 VanDerWaalsContact C-N 3.26Å; S299-E301 VanDerWaalsContact CB-OE2 3.28Å; S299-E301 WeakPolarHBondContact CB-OE2 3.47Å; S299-E301 PolarHBondContact O-N 2.92Å; S299-E301 PolarHBondContact OG-N 2.91Å; S299-E301 PolarHBondContact OG-OE2 3.43Å; E301-L304 PolarHBondContact O-N 3.1Å; E301-S305 WeakPolarHBondContact O-CB 3.42Å; E301-S305 PolarHBondContact O-N 2.97Å
302Q96.6Very high96.2Very high77 Ų7756 Ų5636%0.3630%0.301SS..Hα-helixtrans-62.5-46.4176.4-172.665.450.800111N298 S299 S305 W306N298-Q302 HydrophobicContact CB-CB 4.44Å; N298-Q302 HydrophobicContact CB-CG 4.38Å; S299-Q302 PolarHBondContact O-N 3.3Å; S299-Q302 PolarHBondContact OG-N 3.21Å; Q302-S305 WeakPolarHBondContact O-CB 3.36Å; Q302-S305 PolarHBondContact O-N 2.99Å; Q302-W306 VanDerWaalsContact NE2-CE2 3.26Å; Q302-W306 PolarHBondContact O-N 3.03Å
303N98.1Very high96.2Very high6 Ų652 Ų523%0.03229%0.285CS..Hα-helixtrans-62.7-43177.7-73.7-45.9000111.8I268 V275 N298 S299 I300 S305 W306 W307I268-N303 HydrophobicContact CG2-CB 3.67Å; V275-N303 HydrophobicContact CG2-CB 4.28Å; V275-N303 VanDerWaalsContact CG2-O 3.23Å; V275-N303 WeakPolarHBondContact CG2-O 3.45Å; V275-N303 PolarHBondContact N-OD1 3.17Å; N298-N303 WeakPolarHBondContact CB-OD1 3.36Å; N298-N303 PolarHBondContact O-ND2 2.93Å; N298-N303 VanDerWaalsContact O-ND2 3.08Å; S299-N303 PolarHBondContact O-N 3.18Å; S299-N303 PolarHBondContact O-ND2 3.34Å; S299-N303 VanDerWaalsContact O-ND2 3.08Å; I300-N303 PolarHBondContact O-N 3.41Å; N303-S305 VanDerWaalsContact C-N 3.35Å; N303-W306 PolarHBondContact O-N 2.93Å; N303-W307 WeakPolarHBondContact O-CB 3.35Å; N303-W307 PolarHBondContact O-N 3.46Å
304L97.8Very high96.3Very high52 Ų5253.9 Ų53.927%0.27230%0.297SS..Hα-helixtrans-66.4-36.1176.7-73.5173.3000112.5E265 I268 K269 I300 E301 G308E265-L304 HydrophobicContact CG-CD2 3.84Å; I268-L304 HydrophobicContact CB-CD2 4.49Å; I268-L304 HydrophobicContact CG2-CD2 3.88Å; I268-L304 HydrophobicContact CG2-CG 4.06Å; K269-L304 HydrophobicContact CG-CD1 4.15Å; K269-L304 HydrophobicContact CG-CD2 4.2Å; I300-L304 HydrophobicContact CG2-CD1 3.89Å; I300-L304 HydrophobicContact CG2-CG 4.3Å; I300-L304 WeakPolarHBondContact O-CB 3.42Å; I300-L304 VanDerWaalsContact O-CG 3.31Å; I300-L304 WeakPolarHBondContact O-CG 3.35Å; I300-L304 PolarHBondContact O-N 3Å; E301-L304 PolarHBondContact O-N 3.1Å; L304-G308 PolarHBondContact O-N 2.97Å
305S97.3Very high96.3Very high68 Ų6857.2 Ų57.248%0.47630%0.297SS..Hα-helixtrans-61.8-53.2173.6179.20000111.1E301 Q302 N303 W307 G308 E309E301-S305 WeakPolarHBondContact O-CB 3.42Å; E301-S305 PolarHBondContact O-N 2.97Å; Q302-S305 WeakPolarHBondContact O-CB 3.36Å; Q302-S305 PolarHBondContact O-N 2.99Å; N303-S305 VanDerWaalsContact C-N 3.35Å; S305-W307 VanDerWaalsContact C-N 3.32Å; S305-W307 PolarHBondContact O-N 3.23Å; S305-G308 WeakPolarHBondContact O-CA 3.33Å; S305-G308 PolarHBondContact O-N 2.95Å; S305-E309 PolarHBondContact O-N 2.96Å
306W98Very high96.1Very high31 Ų3161.1 Ų61.112%0.11731%0.314CS..Hα-helixtrans-65.5-34.5178-72.81.3000112.9V275 N277 N298 Q302 N303 G308 E309 M310 Q316V275-W306 HydrophobicContact CB-CB 3.94Å; V275-W306 HydrophobicContact CB-CE3 4.11Å; V275-W306 HydrophobicContact CG1-CB 3.66Å; V275-W306 HydrophobicContact CG1-CE3 4.04Å; V275-W306 HydrophobicContact CG2-CB 4.32Å; N277-W306 HydrophobicContact CB-CZ3 4.34Å; N298-W306 VanDerWaalsContact ND2-CZ3 3.33Å; N298-W306 WeakPolarHBondContact ND2-CZ3 3.22Å; Q302-W306 VanDerWaalsContact NE2-CE2 3.26Å; Q302-W306 PolarHBondContact O-N 3.03Å; N303-W306 PolarHBondContact O-N 2.93Å; W306-G308 VanDerWaalsContact C-N 3.29Å; W306-G308 PolarHBondContact O-N 3.3Å; W306-E309 WeakPolarHBondContact O-CB 3.41Å; W306-E309 PolarHBondContact O-N 2.72Å; W306-M310 WeakPolarHBondContact O-CG 3.35Å; W306-M310 PolarHBondContact O-N 3.08Å; W306-Q316 VanDerWaalsContact NE1-NE2 3.13Å
307W98.1Very high96Very high1 Ų159.6 Ų59.60%0.00431%0.308CS..Hα-helixtrans-62.4-38.8171.2176.9-130.4000111.8L261 I268 V275 N303 S305 M310 K311 V322 Y341 V357L261-W307 HydrophobicContact CD2-CH2 3.77Å; L261-W307 HydrophobicContact CD2-CZ2 3.51Å; I268-W307 HydrophobicContact CD1-CB 4.04Å; I268-W307 HydrophobicContact CD1-CD2 4.2Å; I268-W307 HydrophobicContact CD1-CG 3.84Å; V275-W307 HydrophobicContact CG2-CB 4.05Å; N303-W307 WeakPolarHBondContact O-CB 3.35Å; N303-W307 PolarHBondContact O-N 3.46Å; S305-W307 VanDerWaalsContact C-N 3.32Å; S305-W307 PolarHBondContact O-N 3.23Å; W307-M310 HydrophobicContact CE3-CB 4Å; W307-M310 HydrophobicContact CE3-CE 4.33Å; W307-M310 HydrophobicContact CE3-SD 3.94Å; W307-M310 HydrophobicContact CZ3-CB 4.32Å; W307-M310 HydrophobicContact CZ3-CE 4.09Å; W307-M310 HydrophobicContact CZ3-SD 4.31Å; W307-M310 PolarHBondContact O-N 2.89Å; W307-K311 HydrophobicContact CD2-CD 4.42Å; W307-K311 HydrophobicContact CD2-CG 4.2Å; W307-K311 HydrophobicContact CH2-CG 4.3Å; W307-K311 HydrophobicContact CZ2-CD 3.99Å; W307-K311 HydrophobicContact CZ2-CG 3.98Å; W307-K311 WeakPolarHBondContact O-CG 3.41Å; W307-K311 PolarHBondContact O-N 2.67Å; W307-V322 HydrophobicContact CE3-CG2 3.61Å; W307-V322 HydrophobicContact CZ3-CG2 3.65Å; W307-Y341 AromaticContact CH2-CD1 3.77Å; W307-Y341 HydrophobicContact CH2-CD1 3.77Å; W307-Y341 HydrophobicContact CH2-CD2 4.49Å; W307-Y341 HydrophobicContact CH2-CE1 4.02Å; W307-Y341 HydrophobicContact CH2-CG 4.02Å; W307-Y341 HydrophobicContact CZ3-CD1 4.23Å; W307-Y341 HydrophobicContact CZ3-CG 4.3Å; W307-V357 HydrophobicContact CH2-CB 4Å; W307-V357 HydrophobicContact CH2-CG1 4.29Å; W307-V357 HydrophobicContact CH2-CG2 3.66Å; W307-V357 HydrophobicContact CZ2-CG2 4.4Å; W307-V357 HydrophobicContact CZ3-CB 4.04Å; W307-V357 HydrophobicContact CZ3-CG1 3.89Å; W307-V357 HydrophobicContact CZ3-CG2 4.12Å
308G97.4Very high96.1Very high18 Ų1857.4 Ų57.419%0.18630%0.296CS..Hα-helixtrans-59.3-43.8170.600000112.7L304 S305 W306 K311 K312L304-G308 PolarHBondContact O-N 2.97Å; S305-G308 WeakPolarHBondContact O-CA 3.33Å; S305-G308 PolarHBondContact O-N 2.95Å; W306-G308 VanDerWaalsContact C-N 3.29Å; W306-G308 PolarHBondContact O-N 3.3Å; G308-K311 PolarHBondContact O-N 3.42Å; G308-K312 WeakPolarHBondContact O-CG 3.44Å; G308-K312 PolarHBondContact O-N 2.76Å; G308-K312 VanDerWaalsContact O-N 3.1Å
309E97.8Very high96Very high39 Ų3962.5 Ų62.518%0.18232%0.316CS..Hα-helixtrans-65.1-41.1175.9-68-54.5117.300112.6S305 W306 K312 G313 T314S305-E309 PolarHBondContact O-N 2.96Å; W306-E309 WeakPolarHBondContact O-CB 3.41Å; W306-E309 PolarHBondContact O-N 2.72Å; E309-K312 PolarHBondContact O-N 2.97Å; E309-K312 IonicContact OE1-NZ 2.8Å; E309-K312 PolarHBondContact OE1-NZ 3.4Å; E309-G313 PolarHBondContact O-N 3.06Å; E309-G313 VanDerWaalsContact O-N 3.09Å; E309-T314 PolarHBondContact O-N 2.75Å; E309-T314 PolarHBondContact O-OG1 3.21Å; E309-T314 WeakPolarHBondContact OE2-CB 3.34Å; E309-T314 WeakPolarHBondContact OE2-CG2 3.5Å; E309-T314 PolarHBondContact OE2-OG1 2.9Å
310M97.8Very high96.1Very high0 Ų060 Ų600%030%0.299CS..Hα-helixtrans-58.2-49.7171.2-71.5-178.467.800111.6V275 W306 W307 K312 G313 G317 C320 V322 C343 V357V275-M310 HydrophobicContact CG1-SD 3.63Å; W306-M310 WeakPolarHBondContact O-CG 3.35Å; W306-M310 PolarHBondContact O-N 3.08Å; W307-M310 HydrophobicContact CE3-CB 4Å; W307-M310 HydrophobicContact CE3-CE 4.33Å; W307-M310 HydrophobicContact CE3-SD 3.94Å; W307-M310 HydrophobicContact CZ3-CB 4.32Å; W307-M310 HydrophobicContact CZ3-CE 4.09Å; W307-M310 HydrophobicContact CZ3-SD 4.31Å; W307-M310 PolarHBondContact O-N 2.89Å; M310-K312 PolarHBondContact O-N 3.45Å; M310-G313 PolarHBondContact O-N 3.36Å; M310-G317 WeakPolarHBondContact CG-O 3.42Å; M310-C320 WeakPolarHBondContact CE-O 3.46Å; M310-C320 HydrophobicContact CG-CB 3.5Å; M310-C320 VanDerWaalsContact CG-CB 3.5Å; M310-C320 HydrophobicContact SD-CB 3.6Å; M310-V322 HydrophobicContact CE-CG2 4.06Å; M310-V322 HydrophobicContact SD-CG2 3.97Å; M310-C343 HydrophobicContact CE-CB 4.25Å; M310-C343 PolarHBondContact O-SG 3.18Å; M310-C343 VanDerWaalsContact O-SG 3.38Å; M310-V357 HydrophobicContact CB-CG1 3.66Å; M310-V357 HydrophobicContact CE-CG1 4.29Å; M310-V357 VanDerWaalsContact O-CG1 3.23Å; M310-V357 WeakPolarHBondContact O-CG1 3.31Å
311K97.3Very high96.2Very high81 Ų8157.6 Ų57.635%0.35229%0.288SS..Hα-helixtrans-59.8-33.2179.5-76.4-172.8-67.3-174.70113E265 W307 G308 G313 V357E265-K311 IonicContact OE2-NZ 2.87Å; E265-K311 PolarHBondContact OE2-NZ 3.19Å; W307-K311 HydrophobicContact CD2-CD 4.42Å; W307-K311 HydrophobicContact CD2-CG 4.2Å; W307-K311 HydrophobicContact CH2-CG 4.3Å; W307-K311 HydrophobicContact CZ2-CD 3.99Å; W307-K311 HydrophobicContact CZ2-CG 3.98Å; W307-K311 WeakPolarHBondContact O-CG 3.41Å; W307-K311 PolarHBondContact O-N 2.67Å; G308-K311 PolarHBondContact O-N 3.42Å; K311-G313 VanDerWaalsContact C-N 3.35Å; K311-V357 HydrophobicContact CG-CG2 3.95Å
312K95.7Very high96.3Very high142 Ų14251.3 Ų51.362%0.61726%0.258SS*.Hα-helixtrans-77.8-17.5174.5-68.4173.1-163163.70113.4G308 E309 M310 T314G308-K312 WeakPolarHBondContact O-CG 3.44Å; G308-K312 PolarHBondContact O-N 2.76Å; G308-K312 VanDerWaalsContact O-N 3.1Å; E309-K312 PolarHBondContact O-N 2.97Å; E309-K312 IonicContact OE1-NZ 2.8Å; E309-K312 PolarHBondContact OE1-NZ 3.4Å; M310-K312 PolarHBondContact O-N 3.45Å; K312-T314 HydrophobicContact CB-CG2 3.9Å; K312-T314 HydrophobicContact CD-CG2 4.41Å
313G94.1Very high96.3Very high17 Ų1747.6 Ų47.618%0.17524%0.241CC..THydrogen-bonded Turntrans6833.2-175.800000113.6E309 M310 K311E309-G313 PolarHBondContact O-N 3.06Å; E309-G313 VanDerWaalsContact O-N 3.09Å; M310-G313 PolarHBondContact O-N 3.36Å; K311-G313 VanDerWaalsContact C-N 3.35Å
314T95.5Very high96.3Very high45 Ų4547.4 Ų47.428%0.27624%0.24SC..  trans-69.2165.6175.763.60000111.2E309 K312 Q316 G317 L318E309-T314 PolarHBondContact O-N 2.75Å; E309-T314 PolarHBondContact O-OG1 3.21Å; E309-T314 WeakPolarHBondContact OE2-CB 3.34Å; E309-T314 WeakPolarHBondContact OE2-CG2 3.5Å; E309-T314 PolarHBondContact OE2-OG1 2.9Å; K312-T314 HydrophobicContact CB-CG2 3.9Å; K312-T314 HydrophobicContact CD-CG2 4.41Å; T314-Q316 PolarHBondContact O-N 2.77Å; T314-G317 WeakPolarHBondContact O-CA 3.21Å; T314-G317 PolarHBondContact O-N 2.89Å; T314-G317 PolarHBondContact OG1-N 3.39Å; T314-L318 PolarHBondContact O-N 2.93Å
315E92.5Very high96.3Very high163 Ų16347.7 Ų47.776%0.76224%0.239SC*.Hα-helixtrans-55.3-33.9175.1-82-166.3151.600112.8
316Q92.3Very high96.3Very high90 Ų9045.9 Ų45.942%0.42122%0.224SC..Hα-helixtrans-70.1-46.1173.5-175.6171.711.100111.1W306 T314 L318 K319 C320W306-Q316 VanDerWaalsContact NE1-NE2 3.13Å; T314-Q316 PolarHBondContact O-N 2.77Å; Q316-L318 VanDerWaalsContact C-N 3.27Å; Q316-L318 PolarHBondContact O-N 3.4Å; Q316-K319 PolarHBondContact O-N 2.98Å; Q316-K319 VanDerWaalsContact O-N 3.13Å; Q316-C320 PolarHBondContact O-SG 2.72Å; Q316-C320 VanDerWaalsContact O-SG 3.33Å
317G93.7Very high96.2Very high0 Ų047.3 Ų47.30%023%0.234CC..Hα-helixtrans-56.9-38176.200000113.6M310 T314 K319 C320 C343M310-G317 WeakPolarHBondContact CG-O 3.42Å; T314-G317 WeakPolarHBondContact O-CA 3.21Å; T314-G317 PolarHBondContact O-N 2.89Å; T314-G317 PolarHBondContact OG1-N 3.39Å; G317-K319 VanDerWaalsContact C-N 3.25Å; G317-K319 PolarHBondContact O-N 3.4Å; G317-C320 WeakPolarHBondContact O-CB 3.3Å; G317-C320 PolarHBondContact O-N 2.89Å; G317-C343 VanDerWaalsContact O-CB 3.28Å; G317-C343 WeakPolarHBondContact O-CB 3.04Å
318L94.1Very high96Very high75 Ų7547.3 Ų47.339%0.39323%0.234SC..Hα-helixtrans-66.2-24.3178.4-76.5168.2000113.9T314 Q316 C320 C343 I345T314-L318 PolarHBondContact O-N 2.93Å; Q316-L318 VanDerWaalsContact C-N 3.27Å; Q316-L318 PolarHBondContact O-N 3.4Å; L318-C320 VanDerWaalsContact C-N 3.31Å; L318-C343 HydrophobicContact CD2-CB 4.36Å; L318-I345 HydrophobicContact CD1-CG2 4.04Å; L318-I345 HydrophobicContact CD2-CG2 3.79Å; L318-I345 HydrophobicContact CG-CG2 4.28Å
319K94.2Very high95.8Very high149 Ų14950 Ų5065%0.64825%0.25SS*.THydrogen-bonded Turntrans-83-12.1174.4-65.4174.1-176174.60112.5N277 Q316 G317N277-K319 WeakPolarHBondContact CA-O 3.25Å; Q316-K319 PolarHBondContact O-N 2.98Å; Q316-K319 VanDerWaalsContact O-N 3.13Å; G317-K319 VanDerWaalsContact C-N 3.25Å; G317-K319 PolarHBondContact O-N 3.4Å
320C97.3Very high95.7Very high6 Ų649 Ų494%0.04125%0.247CC..  trans-99.6152-173.1-67.70000112.6V275 D276 M310 Q316 G317 L318V275-C320 HydrophobicContact CG1-CB 3.69Å; D276-C320 CarbonylContact O-C 3.57Å; D276-C320 WeakPolarHBondContact O-CA 3.23Å; M310-C320 WeakPolarHBondContact CE-O 3.46Å; M310-C320 HydrophobicContact CG-CB 3.5Å; M310-C320 VanDerWaalsContact CG-CB 3.5Å; M310-C320 HydrophobicContact SD-CB 3.6Å; Q316-C320 PolarHBondContact O-SG 2.72Å; Q316-C320 VanDerWaalsContact O-SG 3.33Å; G317-C320 WeakPolarHBondContact O-CB 3.3Å; G317-C320 PolarHBondContact O-N 2.89Å; L318-C320 VanDerWaalsContact C-N 3.31Å
321C97.6Very high95.4Very high17 Ų1755.3 Ų55.312%0.11528%0.281CS..EExtended strand (participates in β ladder)trans-136.1159.2165.972.90000110.1V275 D276 T339 Y341V275-C321 WeakPolarHBondContact CA-O 3.43Å; D276-C321 PolarHBondContact N-O 3.36Å; D276-C321 PolarHBondContact O-N 2.65Å; C321-T339 HydrophobicContact CB-CG2 3.6Å; C321-Y341 WeakPolarHBondContact CA-O 3.3Å; C321-Y341 WeakPolarHBondContact CB-O 3.44Å
322V98.5Very high95.2Very high0 Ų052.4 Ų52.40%027%0.269CS..EExtended strand (participates in β ladder)trans-97.2132.6172-171.10000108.6I268 A273 Y274 V275 W307 M310 T339 I340 Y341I268-V322 HydrophobicContact CD1-CG1 4.19Å; I268-V322 HydrophobicContact CG1-CG1 4.34Å; A273-V322 HydrophobicContact CB-CG1 4.01Å; Y274-V322 WeakPolarHBondContact O-CA 3.42Å; V275-V322 HydrophobicContact CG2-CG2 4.4Å; W307-V322 HydrophobicContact CE3-CG2 3.61Å; W307-V322 HydrophobicContact CZ3-CG2 3.65Å; M310-V322 HydrophobicContact CE-CG2 4.06Å; M310-V322 HydrophobicContact SD-CG2 3.97Å; V322-T339 CarbonylContact O-C 3.27Å; V322-T339 WeakPolarHBondContact O-CA 3.04Å; V322-T339 WeakPolarHBondContact O-CG2 3.28Å; V322-I340 HydrophobicContact CB-CG1 4.04Å; V322-I340 HydrophobicContact CG1-CD1 3.96Å; V322-I340 HydrophobicContact CG1-CG1 3.88Å; V322-I340 WeakPolarHBondContact O-CG1 3.18Å; V322-I340 PolarHBondContact O-N 3.42Å; V322-Y341 PolarHBondContact N-O 3.23Å; V322-Y341 PolarHBondContact O-N 3.48Å
323R98.2Very high95Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-117.4137.7177.2-60.2179.367.8-176.3-2.3110.2A273 Y274 D276 D337 P338A273-R323 VanDerWaalsContact CA-O 3.26Å; A273-R323 WeakPolarHBondContact CA-O 3.25Å; A273-R323 WeakPolarHBondContact CB-O 3.33Å; Y274-R323 HydrophobicContact CE1-CB 4.01Å; Y274-R323 HydrophobicContact CE2-CB 4.13Å; Y274-R323 PolarHBondContact N-O 2.97Å; Y274-R323 PolarHBondContact O-N 3Å; D276-R323 HydrophobicContact CB-CG 4.15Å; D276-R323 VanDerWaalsContact OD2-CD 3.24Å; D276-R323 WeakPolarHBondContact OD2-CD 3.07Å; D276-R323 IonicContact OD2-CZ 3.21Å; D276-R323 IonicContact OD2-NE 3.4Å; D276-R323 IonicContact OD2-NH1 2.81Å; D276-R323 PolarHBondContact OD2-NH1 3.12Å; R323-D337 PolarHBondContact NE-O 3.14Å; R323-D337 PolarHBondContact NH2-O 3.43Å; R323-P338 VanDerWaalsContact CA-O 3.31Å; R323-P338 WeakPolarHBondContact CA-O 3.3Å
324A97.9Very high95Very high1 Ų146.8 Ų46.81%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-71.2134.5171.400000109.3I326 D337 P338 I340 W392A324-I326 HydrophobicContact CB-CD1 3.97Å; A324-I326 HydrophobicContact CB-CG1 3.82Å; A324-I326 PolarHBondContact O-N 3.48Å; A324-D337 WeakPolarHBondContact O-CA 3.48Å; A324-D337 VanDerWaalsContact O-CB 3.23Å; A324-D337 WeakPolarHBondContact O-CB 3.41Å; A324-D337 VanDerWaalsContact O-CG 3.3Å; A324-P338 HydrophobicContact CB-CG 4.16Å; A324-P338 PolarHBondContact N-O 3.36Å; A324-I340 HydrophobicContact CB-CD1 4.46Å; A324-I340 HydrophobicContact CB-CG2 3.93Å; A324-W392 HydrophobicContact CB-CH2 3.86Å; A324-W392 HydrophobicContact CB-CZ3 3.68Å
325K96.8Very high95Very high59 Ų5945.4 Ų45.426%0.25724%0.241SC..  trans-90.989.9177.4-164.9169.2-177.71610108.3K272 Y274 R296 D297K272-K325 WeakPolarHBondContact O-CB 3.18Å; K272-K325 PolarHBondContact O-N 2.93Å; Y274-K325 HydrophobicContact CD1-CB 4Å; Y274-K325 HydrophobicContact CD1-CD 4.42Å; Y274-K325 HydrophobicContact CD1-CG 4.33Å; Y274-K325 HydrophobicContact CE1-CB 4.16Å; Y274-K325 HydrophobicContact CE1-CG 4.35Å; R296-K325 HydrophobicContact CG-CD 4.31Å; R296-K325 HydrophobicContact CG-CG 4.37Å; R296-K325 PolarHBondContact O-NZ 3.32Å; D297-K325 IonicContact OD1-NZ 3Å; D297-K325 PolarHBondContact OD1-NZ 3.36Å
326I96.9Very high95.2Very high29 Ų2939 Ų3915%0.14921%0.21CC..SBendtrans-110.3-96.8-174.6-47.8-178.1000109.1A324 L335 D337 P338 Q389 W392A324-I326 HydrophobicContact CB-CD1 3.97Å; A324-I326 HydrophobicContact CB-CG1 3.82Å; A324-I326 PolarHBondContact O-N 3.48Å; I326-L335 VanDerWaalsContact CB-O 3.29Å; I326-L335 WeakPolarHBondContact CB-O 3.41Å; I326-L335 HydrophobicContact CD1-CD2 4.46Å; I326-L335 HydrophobicContact CG2-CB 4.06Å; I326-L335 HydrophobicContact CG2-CD2 4.21Å; I326-D337 PolarHBondContact N-OD1 3.2Å; I326-P338 HydrophobicContact CD1-CG 3.97Å; I326-Q389 HydrophobicContact CD1-CG 4.45Å; I326-W392 HydrophobicContact CD1-CD2 3.78Å; I326-W392 HydrophobicContact CD1-CE3 3.67Å; I326-W392 HydrophobicContact CD1-CG 4.27Å; I326-W392 HydrophobicContact CD1-CZ3 4.07Å; I326-W392 HydrophobicContact CG1-CD2 3.78Å; I326-W392 HydrophobicContact CG1-CE3 3.91Å; I326-W392 HydrophobicContact CG1-CG 4.45Å; I326-W392 HydrophobicContact CG1-CH2 3.92Å; I326-W392 HydrophobicContact CG1-CZ2 3.75Å; I326-W392 HydrophobicContact CG1-CZ3 4Å; I326-W392 HydrophobicContact CG2-CD2 4.44Å; I326-W392 HydrophobicContact CG2-CG 4.3Å
327D95.6Very high95.5Very high61 Ų6134.7 Ų34.733%0.32619%0.19SC..  trans-150.7104.3179.9177.216.2000111.2S329 S330 L335 R336D327-S329 PolarHBondContact O-N 2.79Å; D327-S329 WeakPolarHBondContact OD1-CA 3.47Å; D327-S329 WeakPolarHBondContact OD1-CB 3.32Å; D327-S329 PolarHBondContact OD1-N 2.95Å; D327-S329 PolarHBondContact OD1-OG 2.94Å; D327-S329 PolarHBondContact OD2-OG 3.24Å; D327-S330 WeakPolarHBondContact O-CB 3.15Å; D327-S330 PolarHBondContact O-N 3.23Å; D327-S330 PolarHBondContact OD1-N 3.13Å; D327-S330 WeakPolarHBondContact OD2-CA 3.5Å; D327-S330 WeakPolarHBondContact OD2-CB 3.37Å; D327-S330 PolarHBondContact OD2-N 2.97Å; D327-L335 CarbonylContact C-O 3.54Å; D327-L335 PolarHBondContact N-O 3.43Å; D327-L335 VanDerWaalsContact N-O 3.12Å; D327-L335 CarbonylContact O-C 3.57Å; D327-L335 VanDerWaalsContact O-O 3.1Å; D327-R336 WeakPolarHBondContact O-CA 3.2Å
328M94Very high95.6Very high2 Ų234.9 Ų34.91%0.0119%0.191CC..THydrogen-bonded Turntrans-67.1-21.5176.8-77.1-61.2-52.200113.7R287 R290 Q291 M292 R336 D337R287-M328 HydrophobicContact CG-CE 4.36Å; R290-M328 WeakPolarHBondContact CB-O 3.35Å; Q291-M328 WeakPolarHBondContact O-CE 3.38Å; M292-M328 HydrophobicContact CE-CB 4.45Å; M292-M328 HydrophobicContact CG-CB 3.95Å; M292-M328 HydrophobicContact CG-CG 4Å; M328-R336 HydrophobicContact CE-CB 4.37Å; M328-R336 HydrophobicContact SD-CB 4.03Å; M328-D337 HydrophobicContact CG-CB 4.26Å; M328-D337 HydrophobicContact SD-CB 3.6Å
329S94.6Very high95.8Very high75 Ų7533 Ų3352%0.52418%0.183SC..THydrogen-bonded Turntrans-85.6-12.2179.372.90000113.4R290 D327R290-S329 PolarHBondContact NH1-O 2.99Å; D327-S329 PolarHBondContact O-N 2.79Å; D327-S329 WeakPolarHBondContact OD1-CA 3.47Å; D327-S329 WeakPolarHBondContact OD1-CB 3.32Å; D327-S329 PolarHBondContact OD1-N 2.95Å; D327-S329 PolarHBondContact OD1-OG 2.94Å; D327-S329 PolarHBondContact OD2-OG 3.24Å
330S94.2Very high95.9Very high17 Ų1725.9 Ų25.912%0.11915%0.152CC..  trans-55140.1-174.2-173.70000113D327 N332 R336D327-S330 WeakPolarHBondContact O-CB 3.15Å; D327-S330 PolarHBondContact O-N 3.23Å; D327-S330 PolarHBondContact OD1-N 3.13Å; D327-S330 WeakPolarHBondContact OD2-CA 3.5Å; D327-S330 WeakPolarHBondContact OD2-CB 3.37Å; D327-S330 PolarHBondContact OD2-N 2.97Å; S330-N332 PolarHBondContact O-N 2.98Å; S330-N332 PolarHBondContact OG-N 2.98Å; S330-N332 VanDerWaalsContact OG-N 3.15Å; S330-R336 PolarHBondContact O-NE 2.86Å; S330-R336 PolarHBondContact O-NH2 3.05Å; S330-R336 VanDerWaalsContact O-NH2 3.08Å
331N92.6Very high96Very high133 Ų13325.7 Ų25.771%0.71115%0.15SC*.SBendtrans-67.4-27.9170.7-71.5-32.8000111.7R290 G333 R336R290-N331 PolarHBondContact NH1-OD1 2.79Å; R290-N331 PolarHBondContact NH2-OD1 2.82Å; R290-N331 VanDerWaalsContact NH2-OD1 3.11Å; N331-G333 PolarHBondContact O-N 3.09Å; N331-R336 PolarHBondContact O-NH2 3.36Å
332N92.5Very high95.9Very high20 Ų2027 Ų2711%0.10715%0.153CC..SBendtrans-80.7107.6173.8-178.6-13.5000110.2S330 A334 L335 D385 E388S330-N332 PolarHBondContact O-N 2.98Å; S330-N332 PolarHBondContact OG-N 2.98Å; S330-N332 VanDerWaalsContact OG-N 3.15Å; N332-A334 PolarHBondContact O-N 3.15Å; N332-A334 VanDerWaalsContact O-N 3.13Å; N332-A334 WeakPolarHBondContact OD1-CB 3.29Å; N332-A334 PolarHBondContact OD1-N 3.14Å; N332-L335 HydrophobicContact CB-CD1 4.11Å; N332-L335 HydrophobicContact CB-CG 4.16Å; N332-L335 PolarHBondContact O-N 3.2Å; N332-D385 PolarHBondContact ND2-O 3.03Å; N332-D385 PolarHBondContact OD1-O 3.5Å; N332-E388 PolarHBondContact ND2-OE1 2.91Å
333G91.6Very high95.8Very high28 Ų2827.6 Ų27.629%0.28916%0.157SC..G310 helixtrans-60.6-22.7-177.400000114.7R287 N331 L335 R336R287-G333 PolarHBondContact NH2-O 3.13Å; N331-G333 PolarHBondContact O-N 3.09Å; G333-L335 PolarHBondContact O-N 2.94Å; G333-R336 PolarHBondContact O-N 3.28Å
334A93.8Very high95.6Very high13 Ų1329.4 Ų29.411%0.10717%0.165CC..G310 helixtrans-69.4-22.9175.400000112.7N332 D385 R386 Q389N332-A334 PolarHBondContact O-N 3.15Å; N332-A334 VanDerWaalsContact O-N 3.13Å; N332-A334 WeakPolarHBondContact OD1-CB 3.29Å; N332-A334 PolarHBondContact OD1-N 3.14Å; A334-D385 HydrophobicContact CB-CB 4.42Å; A334-D385 WeakPolarHBondContact CB-O 3.34Å; A334-R386 HydrophobicContact CB-CG 3.88Å; A334-Q389 PolarHBondContact O-NE2 3.1Å
335L96.7Very high95.3Very high15 Ų1533.5 Ų33.58%0.07919%0.186CC..G310 helixtrans-89.7-5.2177.1-57.7-177.5000113.3I326 D327 N332 G333 D337 E388 Q389I326-L335 VanDerWaalsContact CB-O 3.29Å; I326-L335 WeakPolarHBondContact CB-O 3.41Å; I326-L335 HydrophobicContact CD1-CD2 4.46Å; I326-L335 HydrophobicContact CG2-CB 4.06Å; I326-L335 HydrophobicContact CG2-CD2 4.21Å; D327-L335 CarbonylContact C-O 3.54Å; D327-L335 PolarHBondContact N-O 3.43Å; D327-L335 VanDerWaalsContact N-O 3.12Å; D327-L335 CarbonylContact O-C 3.57Å; D327-L335 VanDerWaalsContact O-O 3.1Å; N332-L335 HydrophobicContact CB-CD1 4.11Å; N332-L335 HydrophobicContact CB-CG 4.16Å; N332-L335 PolarHBondContact O-N 3.2Å; G333-L335 PolarHBondContact O-N 2.94Å; L335-D337 PolarHBondContact O-N 3.29Å; L335-E388 HydrophobicContact CD1-CB 4.19Å; L335-E388 HydrophobicContact CD2-CB 4.06Å; L335-Q389 HydrophobicContact CD2-CB 3.91Å
336R97Very high95Very high28 Ų2834.4 Ų34.411%0.10619%0.191CC..SBendtrans-81.881.4178.8-61-175.8-162.8160.17.6111.4R287 D327 M328 S330 N331 G333R287-R336 PolarHBondContact NE-O 3.19Å; R287-R336 WeakPolarHBondContact O-CD 3.3Å; R287-R336 PolarHBondContact O-NH1 2.94Å; D327-R336 WeakPolarHBondContact O-CA 3.2Å; M328-R336 HydrophobicContact CE-CB 4.37Å; M328-R336 HydrophobicContact SD-CB 4.03Å; S330-R336 PolarHBondContact O-NE 2.86Å; S330-R336 PolarHBondContact O-NH2 3.05Å; S330-R336 VanDerWaalsContact O-NH2 3.08Å; N331-R336 PolarHBondContact O-NH2 3.36Å; G333-R336 PolarHBondContact O-N 3.28Å
337D97.3Very high94.6Very high0 Ų037.1 Ų37.10%021%0.211CC..  trans31.668.2-178.6-67.13.5000114Y274 R296 R323 A324 I326 M328 L335Y274-D337 HydrophobicContact CE1-CB 4.37Å; Y274-D337 WeakPolarHBondContact CE1-OD2 3.22Å; Y274-D337 WeakPolarHBondContact OH-CB 3.23Å; Y274-D337 PolarHBondContact OH-OD2 3.44Å; R296-D337 VanDerWaalsContact CD-OD2 3.28Å; R296-D337 WeakPolarHBondContact CD-OD2 3.35Å; R296-D337 IonicContact CZ-OD2 3.81Å; R296-D337 IonicContact NE-OD1 3.88Å; R296-D337 IonicContact NE-OD2 3.78Å; R296-D337 PolarHBondContact NE-OD2 2.99Å; R323-D337 PolarHBondContact NE-O 3.14Å; R323-D337 PolarHBondContact NH2-O 3.43Å; A324-D337 WeakPolarHBondContact O-CA 3.48Å; A324-D337 VanDerWaalsContact O-CB 3.23Å; A324-D337 WeakPolarHBondContact O-CB 3.41Å; A324-D337 VanDerWaalsContact O-CG 3.3Å; I326-D337 PolarHBondContact N-OD1 3.2Å; M328-D337 HydrophobicContact CG-CB 4.26Å; M328-D337 HydrophobicContact SD-CB 3.6Å; L335-D337 PolarHBondContact O-N 3.29Å
338P96.7Very high94.4Very high5 Ų534.4 Ų34.43%0.03220%0.196CC..  trans-66.9147.4-178.232-39.2000111.2R323 A324 I326 Q389R323-P338 VanDerWaalsContact CA-O 3.31Å; R323-P338 WeakPolarHBondContact CA-O 3.3Å; A324-P338 HydrophobicContact CB-CG 4.16Å; A324-P338 PolarHBondContact N-O 3.36Å; I326-P338 HydrophobicContact CD1-CG 3.97Å; P338-Q389 HydrophobicContact CG-CG 4.35Å
339T97.4Very high93.9Very high34 Ų3437.8 Ų37.821%0.20922%0.216CC..EExtended strand (participates in β ladder)trans-68.6130.9169-49.80000109.8C321 V322 Y341 L360C321-T339 HydrophobicContact CB-CG2 3.6Å; V322-T339 CarbonylContact O-C 3.27Å; V322-T339 WeakPolarHBondContact O-CA 3.04Å; V322-T339 WeakPolarHBondContact O-CG2 3.28Å; T339-Y341 WeakPolarHBondContact CG2-O 3.46Å; T339-L360 HydrophobicContact CG2-CD1 3.52Å
340I97.9Very high93.7Very high1 Ų140.1 Ų40.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-113.9-22.6-179.857.5170.1000113.3L267 A273 V322 A324 P359 L360 F363L267-I340 HydrophobicContact CD1-CD1 4.25Å; A273-I340 HydrophobicContact CB-CD1 4.18Å; V322-I340 HydrophobicContact CB-CG1 4.04Å; V322-I340 HydrophobicContact CG1-CD1 3.96Å; V322-I340 HydrophobicContact CG1-CG1 3.88Å; V322-I340 WeakPolarHBondContact O-CG1 3.18Å; V322-I340 PolarHBondContact O-N 3.42Å; A324-I340 HydrophobicContact CB-CD1 4.46Å; A324-I340 HydrophobicContact CB-CG2 3.93Å; I340-P359 WeakPolarHBondContact O-CA 3.28Å; I340-L360 PolarHBondContact O-N 2.74Å; I340-F363 HydrophobicContact CB-CB 3.78Å; I340-F363 HydrophobicContact CB-CD2 4.07Å; I340-F363 HydrophobicContact CB-CG 4.06Å; I340-F363 HydrophobicContact CD1-CD2 4.13Å; I340-F363 HydrophobicContact CD1-CE2 4.36Å; I340-F363 HydrophobicContact CG2-CB 4.08Å; I340-F363 HydrophobicContact CG2-CD2 4.29Å
341Y98.3Very high93.6Very high1 Ų141 Ų410%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-138.6147.7173.6-101.5-91.6000111.8M260 L261 C264 W307 C321 V322 T339 V357 Y358 P359 F363M260-Y341 WeakPolarHBondContact CB-OH 3.4Å; L261-Y341 HydrophobicContact CD2-CE1 4.03Å; L261-Y341 PolarHBondContact N-OH 3.27Å; C264-Y341 HydrophobicContact CB-CD2 3.95Å; C264-Y341 HydrophobicContact CB-CE2 3.63Å; C264-Y341 WeakPolarHBondContact SG-CD2 3.45Å; W307-Y341 AromaticContact CH2-CD1 3.77Å; W307-Y341 HydrophobicContact CH2-CD1 3.77Å; W307-Y341 HydrophobicContact CH2-CD2 4.49Å; W307-Y341 HydrophobicContact CH2-CE1 4.02Å; W307-Y341 HydrophobicContact CH2-CG 4.02Å; W307-Y341 HydrophobicContact CZ3-CD1 4.23Å; W307-Y341 HydrophobicContact CZ3-CG 4.3Å; C321-Y341 WeakPolarHBondContact CA-O 3.3Å; C321-Y341 WeakPolarHBondContact CB-O 3.44Å; V322-Y341 PolarHBondContact N-O 3.23Å; V322-Y341 PolarHBondContact O-N 3.48Å; T339-Y341 WeakPolarHBondContact CG2-O 3.46Å; Y341-V357 HydrophobicContact CD1-CB 3.99Å; Y341-V357 HydrophobicContact CD1-CG2 4.39Å; Y341-V357 HydrophobicContact CE1-CB 4.29Å; Y341-V357 HydrophobicContact CE1-CG2 4.25Å; Y341-Y358 WeakPolarHBondContact CD1-O 3.15Å; Y341-Y358 VanDerWaalsContact CE1-C 3.49Å; Y341-P359 HydrophobicContact CD1-CB 4.48Å; Y341-P359 HydrophobicContact CD2-CB 4.24Å; Y341-P359 HydrophobicContact CE1-CB 4.06Å; Y341-P359 HydrophobicContact CE1-CG 4.37Å; Y341-P359 VanDerWaalsContact CE1-N 3.29Å; Y341-P359 HydrophobicContact CE2-CB 3.79Å; Y341-F363 HydrophobicContact CD2-CD1 4.2Å; Y341-F363 HydrophobicContact CD2-CE1 4.33Å; Y341-F363 AromaticContact CE2-CD1 3.73Å; Y341-F363 HydrophobicContact CE2-CD1 3.73Å; Y341-F363 AromaticContact CE2-CE1 3.59Å; Y341-F363 HydrophobicContact CE2-CE1 3.59Å; Y341-F363 HydrophobicContact CE2-CZ 4.44Å
342R96.2Very high93.5Very high44 Ų4436 Ų3617%0.16620%0.199CC..EExtended strand (participates in β ladder)trans-129.2155.4173.968.6-167.3179.1-71.96111.1T223 N224 V357 Y358 P359T223-R342 PolarHBondContact O-NH2 2.87Å; N224-R342 VanDerWaalsContact CA-NH2 3.3Å; N224-R342 VanDerWaalsContact CB-NH2 3.25Å; N224-R342 VanDerWaalsContact CG-NH2 3.32Å; N224-R342 PolarHBondContact OD1-NH2 3.19Å; R342-V357 CarbonylContact O-C 3.57Å; R342-V357 VanDerWaalsContact O-CA 3.28Å; R342-V357 WeakPolarHBondContact O-CA 3.27Å; R342-Y358 PolarHBondContact N-O 3.01Å; R342-Y358 PolarHBondContact NH1-O 3.24Å; R342-Y358 PolarHBondContact O-N 3.26Å; R342-P359 PolarHBondContact NH1-O 3.49Å
343C95.8Very high93.4Very high14 Ų1438.6 Ų38.610%0.09522%0.218CC..EExtended strand (participates in β ladder)trans-96.1132.6172.3-171.80000110.3M310 G317 L318 K356 V357M310-C343 HydrophobicContact CE-CB 4.25Å; M310-C343 PolarHBondContact O-SG 3.18Å; M310-C343 VanDerWaalsContact O-SG 3.38Å; G317-C343 VanDerWaalsContact O-CB 3.28Å; G317-C343 WeakPolarHBondContact O-CB 3.04Å; L318-C343 HydrophobicContact CD2-CB 4.36Å; C343-K356 WeakPolarHBondContact CA-O 3.4Å; C343-K356 PolarHBondContact SG-O 3.35Å; C343-V357 HydrophobicContact CB-CG1 4.36Å
344K93.2Very high93.5Very high37 Ų3743.4 Ų43.416%0.16123%0.231CC..  trans-145.5136.4176.2-78.3-163.2174-1700108.9N224 P225 D226 E346 K356 Y358N224-K344 PolarHBondContact OD1-NZ 2.87Å; P225-K344 HydrophobicContact CG-CB 4.27Å; P225-K344 HydrophobicContact CG-CD 4.15Å; D226-K344 IonicContact OD1-NZ 2.72Å; D226-K344 PolarHBondContact OD1-NZ 3.06Å; D226-K344 IonicContact OD2-NZ 2.72Å; D226-K344 PolarHBondContact OD2-NZ 3.17Å; K344-E346 VanDerWaalsContact CB-OE2 3.3Å; K344-E346 WeakPolarHBondContact CB-OE2 3.22Å; K344-K356 PolarHBondContact N-O 3.41Å; K344-K356 CarbonylContact O-C 3.23Å; K344-K356 VanDerWaalsContact O-CA 3.32Å; K344-K356 WeakPolarHBondContact O-CA 3.46Å; K344-Y358 HydrophobicContact CB-CD2 3.8Å; K344-Y358 HydrophobicContact CB-CE2 3.83Å; K344-Y358 WeakPolarHBondContact O-CE2 3.13Å
345I92Very high93.6Very high88 Ų8843.6 Ų43.645%0.45123%0.229SC..  trans-95.2-17.4-175.854.9169.6000113.2L318 K356L318-I345 HydrophobicContact CD1-CG2 4.04Å; L318-I345 HydrophobicContact CD2-CG2 3.79Å; L318-I345 HydrophobicContact CG-CG2 4.28Å; I345-K356 PolarHBondContact O-NZ 3.2Å
346E90Very high93.6Very high78 Ų7844.7 Ų44.736%0.36423%0.233SC..SBendtrans-56.2137.4-177.9-6483.3172.700110.8P225 D226 K344 H348 Y358P225-E346 HydrophobicContact CB-CB 4.44Å; P225-E346 HydrophobicContact CG-CB 4.38Å; D226-E346 HydrophobicContact CB-CG 4.48Å; K344-E346 VanDerWaalsContact CB-OE2 3.3Å; K344-E346 WeakPolarHBondContact CB-OE2 3.22Å; E346-H348 PolarHBondContact O-N 2.96Å; E346-Y358 PolarHBondContact O-OH 2.93Å
347P89.3Confident93.6Very high86 Ų8643.6 Ų43.656%0.55823%0.23SC*.PPolyproline II helixtrans-66133.3177.527.9-33.4000110.4
348H91.5Very high93.6Very high4 Ų443.6 Ų43.62%0.01923%0.23CC..BIsolated β-bridgetrans-78.4141.9176-176.5-74.6000111.2D222 P225 F257 E346 R350 T351 G352 Y358D222-H348 PolarHBondContact O-NE2 3.14Å; D222-H348 IonicContact OD2-CE1 3.1Å; D222-H348 PolarHBondContact OD2-CE1 3.4Å; D222-H348 VanDerWaalsContact OD2-CE1 3.26Å; D222-H348 IonicContact OD2-NE2 2.59Å; P225-H348 HydrophobicContact CB-CB 4.18Å; F257-H348 AromaticContact CE2-CD2 3.88Å; F257-H348 AromaticContact CE2-NE2 3.71Å; F257-H348 AromaticContact CZ-NE2 3.84Å; E346-H348 PolarHBondContact O-N 2.96Å; H348-R350 VanDerWaalsContact C-N 3.31Å; H348-R350 PolarHBondContact ND1-N 2.97Å; H348-R350 PolarHBondContact O-N 3.32Å; H348-T351 VanDerWaalsContact CB-OG1 3.29Å; H348-T351 WeakPolarHBondContact CB-OG1 3.31Å; H348-T351 VanDerWaalsContact CG-OG1 3.25Å; H348-T351 PolarHBondContact ND1-N 2.77Å; H348-T351 VanDerWaalsContact ND1-N 3.2Å; H348-T351 PolarHBondContact ND1-OG1 3.17Å; H348-G352 PolarHBondContact N-O 2.91Å; H348-G352 VanDerWaalsContact O-CA 3.26Å; H348-G352 WeakPolarHBondContact O-CA 3.36Å; H348-G352 PolarHBondContact O-N 3.06Å; H348-Y358 HydrophobicContact CB-CE1 4.17Å; H348-Y358 AromaticContact CD2-CE1 3.67Å
349V84.4Confident93.6Very high72 Ų7243.3 Ų43.344%0.43623%0.228SC..THydrogen-bonded Turntrans-54.5-44.8-175-176.30000112.3E228E228-V349 HydrophobicContact CB-CG2 3.99Å
350R89Confident93.5Very high124 Ų12444.1 Ų44.147%0.46823%0.231SC..THydrogen-bonded Turntrans-91.2-41.9178.6-63.4170.954.683.5-4.4116.2D222 S252 S254 D255 H348D222-R350 WeakPolarHBondContact OD2-CD 3.04Å; D222-R350 IonicContact OD2-NE 2.87Å; S252-R350 PolarHBondContact OG-NE 2.89Å; S254-R350 PolarHBondContact OG-NE 2.99Å; D255-R350 IonicContact OD1-CZ 2.77Å; D255-R350 IonicContact OD1-NE 3.95Å; D255-R350 IonicContact OD1-NH2 2.77Å; D255-R350 PolarHBondContact OD1-NH2 3.2Å; H348-R350 VanDerWaalsContact C-N 3.31Å; H348-R350 PolarHBondContact ND1-N 2.97Å; H348-R350 PolarHBondContact O-N 3.32Å
351T91.7Very high93.2Very high35 Ų3546.8 Ų46.822%0.21524%0.241CC..THydrogen-bonded Turntrans-102.22.1-170.460.80000113.4H348 S353 K354 Y355H348-T351 VanDerWaalsContact CB-OG1 3.29Å; H348-T351 WeakPolarHBondContact CB-OG1 3.31Å; H348-T351 VanDerWaalsContact CG-OG1 3.25Å; H348-T351 PolarHBondContact ND1-N 2.77Å; H348-T351 VanDerWaalsContact ND1-N 3.2Å; H348-T351 PolarHBondContact ND1-OG1 3.17Å; T351-S353 PolarHBondContact O-N 2.66Å; T351-K354 VanDerWaalsContact O-CB 3.25Å; T351-K354 WeakPolarHBondContact O-CB 3.42Å; T351-K354 PolarHBondContact O-N 2.84Å; T351-K354 VanDerWaalsContact O-N 3.16Å; T351-Y355 HydrophobicContact CG2-CD2 4.35Å; T351-Y355 HydrophobicContact CG2-CE2 3.93Å
352G90.6Very high92.9Very high29 Ų2947.9 Ų47.930%0.29925%0.247SC..BIsolated β-bridgetrans56.7-130.8179.900000111.7H348H348-G352 PolarHBondContact N-O 2.91Å; H348-G352 VanDerWaalsContact O-CA 3.26Å; H348-G352 WeakPolarHBondContact O-CA 3.36Å; H348-G352 PolarHBondContact O-N 3.06Å
353S91.8Very high93Very high74 Ų7445.8 Ų45.852%0.51724%0.239SC..THydrogen-bonded Turntrans-93.212.7178.6-79.70000114.5T351 Y355 K356T351-S353 PolarHBondContact O-N 2.66Å; S353-Y355 PolarHBondContact O-N 2.87Å; S353-K356 VanDerWaalsContact CB-NZ 3.34Å; S353-K356 WeakPolarHBondContact O-CE 3.43Å; S353-K356 PolarHBondContact OG-NZ 3.09Å
354K94Very high93Very high130 Ų13045.2 Ų45.257%0.56524%0.235SC*.SBendtrans-56.6-37.2-178-178.4-179.8173.8-162.60112.4D258 T351D258-K354 IonicContact OD1-NZ 3.68Å; D258-K354 IonicContact OD2-NZ 2.99Å; D258-K354 PolarHBondContact OD2-NZ 3.39Å; T351-K354 VanDerWaalsContact O-CB 3.25Å; T351-K354 WeakPolarHBondContact O-CB 3.42Å; T351-K354 PolarHBondContact O-N 2.84Å; T351-K354 VanDerWaalsContact O-N 3.16Å
355Y95.5Very high93.2Very high17 Ų1743.6 Ų43.67%0.06723%0.229CC..  trans-117.9151.4-179-51-78000110.8F257 D258 L261 T351 S353 Y358F257-Y355 HydrophobicContact CB-CD2 4.46Å; F257-Y355 HydrophobicContact CB-CE1 4.12Å; F257-Y355 HydrophobicContact CB-CE2 3.9Å; F257-Y355 AromaticContact CD2-CD2 3.6Å; F257-Y355 HydrophobicContact CD2-CD2 3.6Å; F257-Y355 AromaticContact CD2-CE2 3.61Å; F257-Y355 HydrophobicContact CD2-CE2 3.61Å; F257-Y355 HydrophobicContact CD2-CG 4.22Å; F257-Y355 HydrophobicContact CE2-CD2 4.37Å; F257-Y355 HydrophobicContact CG-CE2 4.27Å; D258-Y355 WeakPolarHBondContact OD1-CE1 3.42Å; D258-Y355 PolarHBondContact OD1-OH 3.02Å; D258-Y355 VanDerWaalsContact OD1-OH 3.13Å; D258-Y355 PolarHBondContact OD2-OH 3.23Å; L261-Y355 HydrophobicContact CD1-CD1 3.77Å; L261-Y355 HydrophobicContact CD1-CE1 3.73Å; T351-Y355 HydrophobicContact CG2-CD2 4.35Å; T351-Y355 HydrophobicContact CG2-CE2 3.93Å; S353-Y355 PolarHBondContact O-N 2.87Å; Y355-Y358 PolarHBondContact O-OH 3.42Å; Y355-Y358 VanDerWaalsContact O-OH 3.13Å
356K95.3Very high93.4Very high37 Ų3739.4 Ų39.416%0.16121%0.207CC..SBendtrans-124.84.5173.8-56.7-64.8166.7-160.40112.8C343 K344 I345 S353C343-K356 WeakPolarHBondContact CA-O 3.4Å; C343-K356 PolarHBondContact SG-O 3.35Å; K344-K356 PolarHBondContact N-O 3.41Å; K344-K356 CarbonylContact O-C 3.23Å; K344-K356 VanDerWaalsContact O-CA 3.32Å; K344-K356 WeakPolarHBondContact O-CA 3.46Å; I345-K356 PolarHBondContact O-NZ 3.2Å; S353-K356 VanDerWaalsContact CB-NZ 3.34Å; S353-K356 WeakPolarHBondContact O-CE 3.43Å; S353-K356 PolarHBondContact OG-NZ 3.09Å
357V97.5Very high93.8Very high5 Ų535.7 Ų35.73%0.0319%0.19CC..EExtended strand (participates in β ladder)trans-132.2138.2178-69.50000108.5L261 W307 M310 K311 Y341 R342 C343L261-V357 HydrophobicContact CD2-CG2 3.62Å; W307-V357 HydrophobicContact CH2-CB 4Å; W307-V357 HydrophobicContact CH2-CG1 4.29Å; W307-V357 HydrophobicContact CH2-CG2 3.66Å; W307-V357 HydrophobicContact CZ2-CG2 4.4Å; W307-V357 HydrophobicContact CZ3-CB 4.04Å; W307-V357 HydrophobicContact CZ3-CG1 3.89Å; W307-V357 HydrophobicContact CZ3-CG2 4.12Å; M310-V357 HydrophobicContact CB-CG1 3.66Å; M310-V357 HydrophobicContact CE-CG1 4.29Å; M310-V357 VanDerWaalsContact O-CG1 3.23Å; M310-V357 WeakPolarHBondContact O-CG1 3.31Å; K311-V357 HydrophobicContact CG-CG2 3.95Å; Y341-V357 HydrophobicContact CD1-CB 3.99Å; Y341-V357 HydrophobicContact CD1-CG2 4.39Å; Y341-V357 HydrophobicContact CE1-CB 4.29Å; Y341-V357 HydrophobicContact CE1-CG2 4.25Å; R342-V357 CarbonylContact O-C 3.57Å; R342-V357 VanDerWaalsContact O-CA 3.28Å; R342-V357 WeakPolarHBondContact O-CA 3.27Å; C343-V357 HydrophobicContact CB-CG1 4.36Å
358Y97.2Very high94.2Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-133.1133.4-174.9-59.1-88.7000110.4T223 P225 F257 Y341 R342 K344 E346 H348 Y355T223-Y358 VanDerWaalsContact O-CB 3.3Å; T223-Y358 WeakPolarHBondContact O-CB 3.5Å; P225-Y358 HydrophobicContact CB-CE1 4.45Å; P225-Y358 HydrophobicContact CG-CD1 4.48Å; P225-Y358 HydrophobicContact CG-CD2 4.08Å; P225-Y358 HydrophobicContact CG-CE1 4.14Å; P225-Y358 HydrophobicContact CG-CE2 3.69Å; P225-Y358 HydrophobicContact CG-CG 4.46Å; F257-Y358 AromaticContact CE2-CD1 3.97Å; F257-Y358 HydrophobicContact CE2-CD1 3.97Å; F257-Y358 HydrophobicContact CE2-CE1 4.07Å; F257-Y358 HydrophobicContact CZ-CD1 4.06Å; Y341-Y358 WeakPolarHBondContact CD1-O 3.15Å; Y341-Y358 VanDerWaalsContact CE1-C 3.49Å; R342-Y358 PolarHBondContact N-O 3.01Å; R342-Y358 PolarHBondContact NH1-O 3.24Å; R342-Y358 PolarHBondContact O-N 3.26Å; K344-Y358 HydrophobicContact CB-CD2 3.8Å; K344-Y358 HydrophobicContact CB-CE2 3.83Å; K344-Y358 WeakPolarHBondContact O-CE2 3.13Å; E346-Y358 PolarHBondContact O-OH 2.93Å; H348-Y358 HydrophobicContact CB-CE1 4.17Å; H348-Y358 AromaticContact CD2-CE1 3.67Å; Y355-Y358 PolarHBondContact O-OH 3.42Å; Y355-Y358 VanDerWaalsContact O-OH 3.13Å
359P97.8Very high94.5Very high0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-67149.7177.628.9-33.6000109.9T223 F257 M260 I340 Y341 R342 F363 A364T223-P359 WeakPolarHBondContact CB-O 3.42Å; T223-P359 HydrophobicContact CG2-CG 3.98Å; F257-P359 HydrophobicContact CD1-CG 4.34Å; F257-P359 HydrophobicContact CE1-CG 4.09Å; M260-P359 HydrophobicContact CE-CG 4.22Å; M260-P359 HydrophobicContact SD-CB 4.17Å; M260-P359 HydrophobicContact SD-CG 3.76Å; I340-P359 WeakPolarHBondContact O-CA 3.28Å; Y341-P359 HydrophobicContact CD1-CB 4.48Å; Y341-P359 HydrophobicContact CD2-CB 4.24Å; Y341-P359 HydrophobicContact CE1-CB 4.06Å; Y341-P359 HydrophobicContact CE1-CG 4.37Å; Y341-P359 VanDerWaalsContact CE1-N 3.29Å; Y341-P359 HydrophobicContact CE2-CB 3.79Å; R342-P359 PolarHBondContact NH1-O 3.49Å; P359-F363 HydrophobicContact CB-CD1 3.87Å; P359-A364 HydrophobicContact CB-CB 4.1Å; P359-A364 HydrophobicContact CG-CB 4.06Å
360L95.6Very high95.2Very high51 Ų5128.8 Ų28.827%0.26715%0.147SC..  trans-82.2155.6165.6-78117.2000110T339 I340 D362 F363 A364T339-L360 HydrophobicContact CG2-CD1 3.52Å; I340-L360 PolarHBondContact O-N 2.74Å; L360-D362 PolarHBondContact O-N 2.82Å; L360-D362 VanDerWaalsContact O-N 3.11Å; L360-F363 PolarHBondContact O-N 2.76Å; L360-A364 PolarHBondContact O-N 3.34Å
361Y90.4Very high95.6Very high56 Ų5626.5 Ų26.522%0.2214%0.144CC..Hα-helixtrans-47-43.6-179.1-179.6-105000113.5D221 F363 A364 C365 Y383D221-Y361 WeakPolarHBondContact OD2-CD2 3.23Å; Y361-F363 PolarHBondContact O-N 2.77Å; Y361-A364 PolarHBondContact O-N 3.38Å; Y361-C365 HydrophobicContact CD2-CB 4.28Å; Y361-C365 HydrophobicContact CE1-CB 4.37Å; Y361-C365 HydrophobicContact CE2-CB 4.01Å; Y361-C365 WeakPolarHBondContact O-CB 3.35Å; Y361-C365 PolarHBondContact O-N 2.5Å; Y361-Y383 HydrophobicContact CD1-CE1 4.43Å; Y361-Y383 HydrophobicContact CE1-CD1 4.47Å; Y361-Y383 HydrophobicContact CE1-CE1 4.23Å
362D92.3Very high95.9Very high25 Ų2526.6 Ų26.613%0.13414%0.142CC..Hα-helixtrans-61.7-28.4-178.6-69.8-29.3000113.3L360 P366 R386 Q389 I393L360-D362 PolarHBondContact O-N 2.82Å; L360-D362 VanDerWaalsContact O-N 3.11Å; D362-P366 WeakPolarHBondContact O-CD 3.08Å; D362-P366 VanDerWaalsContact O-CG 3.24Å; D362-P366 WeakPolarHBondContact O-CG 3.23Å; D362-R386 IonicContact OD1-CZ 3.37Å; D362-R386 IonicContact OD1-NH1 2.88Å; D362-R386 PolarHBondContact OD1-NH1 3.01Å; D362-R386 IonicContact OD2-CZ 3.48Å; D362-R386 IonicContact OD2-NH1 2.82Å; D362-R386 PolarHBondContact OD2-NH1 3.41Å; D362-Q389 VanDerWaalsContact CB-OE1 3.24Å; D362-I393 WeakPolarHBondContact O-CD1 3.35Å
363F97.5Very high96.1Very high0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-90.3-44.1173.9-177.9-97.9000112.6M260 L263 C264 L267 I340 Y341 P359 L360 Y361 P366 V367 I393 L397M260-F363 HydrophobicContact CB-CE1 4.14Å; M260-F363 HydrophobicContact CG-CE1 4.29Å; L263-F363 HydrophobicContact CB-CZ 4.33Å; C264-F363 HydrophobicContact CB-CE1 4.38Å; C264-F363 HydrophobicContact CB-CZ 4.09Å; L267-F363 HydrophobicContact CD1-CE2 3.82Å; I340-F363 HydrophobicContact CB-CB 3.78Å; I340-F363 HydrophobicContact CB-CD2 4.07Å; I340-F363 HydrophobicContact CB-CG 4.06Å; I340-F363 HydrophobicContact CD1-CD2 4.13Å; I340-F363 HydrophobicContact CD1-CE2 4.36Å; I340-F363 HydrophobicContact CG2-CB 4.08Å; I340-F363 HydrophobicContact CG2-CD2 4.29Å; Y341-F363 HydrophobicContact CD2-CD1 4.2Å; Y341-F363 HydrophobicContact CD2-CE1 4.33Å; Y341-F363 AromaticContact CE2-CD1 3.73Å; Y341-F363 HydrophobicContact CE2-CD1 3.73Å; Y341-F363 AromaticContact CE2-CE1 3.59Å; Y341-F363 HydrophobicContact CE2-CE1 3.59Å; Y341-F363 HydrophobicContact CE2-CZ 4.44Å; P359-F363 HydrophobicContact CB-CD1 3.87Å; L360-F363 PolarHBondContact O-N 2.76Å; Y361-F363 PolarHBondContact O-N 2.77Å; F363-P366 WeakPolarHBondContact O-CD 3.29Å; F363-P366 WeakPolarHBondContact O-CG 3.49Å; F363-V367 HydrophobicContact CE1-CG2 4.27Å; F363-V367 HydrophobicContact CE2-CG2 4.41Å; F363-V367 HydrophobicContact CZ-CG2 4.15Å; F363-V367 WeakPolarHBondContact O-CG2 3.46Å; F363-I393 HydrophobicContact CD2-CG2 4.25Å; F363-I393 HydrophobicContact CE2-CG2 4.43Å; F363-L397 HydrophobicContact CE2-CD1 4.14Å; F363-L397 HydrophobicContact CZ-CD1 4.42Å
364A97.3Very high96.5Very high1 Ų123.1 Ų23.11%0.00812%0.117CC..Hα-helixtrans-64.5-45.3-176.400000112.2T223 T253 M260 P359 L360 Y361 V367 V368T223-A364 HydrophobicContact CG2-CB 3.9Å; T253-A364 HydrophobicContact CG2-CB 3.89Å; M260-A364 HydrophobicContact SD-CB 3.77Å; P359-A364 HydrophobicContact CB-CB 4.1Å; P359-A364 HydrophobicContact CG-CB 4.06Å; L360-A364 PolarHBondContact O-N 3.34Å; Y361-A364 PolarHBondContact O-N 3.38Å; A364-V367 PolarHBondContact O-N 3.25Å; A364-V368 WeakPolarHBondContact O-CB 3.46Å; A364-V368 WeakPolarHBondContact O-CG2 3.47Å; A364-V368 PolarHBondContact O-N 2.88Å
365C95.7Very high96.6Very high3 Ų318.7 Ų18.72%0.0210%0.102CC..Hα-helixtrans-60.6-50-173.1-156.90000113.6Y361 V367 D369 R379Y361-C365 HydrophobicContact CD2-CB 4.28Å; Y361-C365 HydrophobicContact CE1-CB 4.37Å; Y361-C365 HydrophobicContact CE2-CB 4.01Å; Y361-C365 WeakPolarHBondContact O-CB 3.35Å; Y361-C365 PolarHBondContact O-N 2.5Å; C365-V367 VanDerWaalsContact C-N 3.35Å; C365-V367 PolarHBondContact O-N 3.16Å; C365-D369 WeakPolarHBondContact O-CB 3.07Å; C365-D369 PolarHBondContact O-N 3.14Å; C365-R379 PolarHBondContact SG-NH2 2.77Å
366P97.5Very high96.7Very high0 Ų018.1 Ų18.10%010%0.099CC..Hα-helixtrans-61.8-38.917618.1-27.6000114.3D362 F363 S370 Y390 I393D362-P366 WeakPolarHBondContact O-CD 3.08Å; D362-P366 VanDerWaalsContact O-CG 3.24Å; D362-P366 WeakPolarHBondContact O-CG 3.23Å; F363-P366 WeakPolarHBondContact O-CD 3.29Å; F363-P366 WeakPolarHBondContact O-CG 3.49Å; P366-S370 WeakPolarHBondContact O-CB 3.37Å; P366-S370 PolarHBondContact O-N 2.75Å; P366-S370 VanDerWaalsContact O-N 3.1Å; P366-Y390 HydrophobicContact CB-CD1 4.38Å; P366-Y390 HydrophobicContact CB-CD2 3.48Å; P366-Y390 VanDerWaalsContact CB-CD2 3.48Å; P366-Y390 HydrophobicContact CB-CE1 4.27Å; P366-Y390 HydrophobicContact CB-CE2 3.35Å; P366-Y390 HydrophobicContact CB-CG 4.04Å; P366-Y390 HydrophobicContact CG-CD2 3.82Å; P366-Y390 HydrophobicContact CG-CE2 4.03Å; P366-I393 HydrophobicContact CB-CB 4.43Å; P366-I393 HydrophobicContact CB-CG2 4.15Å; P366-I393 HydrophobicContact CG-CB 4.04Å; P366-I393 HydrophobicContact CG-CD1 3.94Å; P366-I393 HydrophobicContact CG-CG2 3.73Å
367V98Very high96.7Very high0 Ų016.3 Ų16.30%09%0.092CC..Hα-helixtrans-66.6-52.6-179.3173.70000110.4M260 L263 F363 A364 C365 S370 I371 I393 L397 I399M260-V367 HydrophobicContact CG-CB 4.19Å; M260-V367 HydrophobicContact CG-CG1 3.67Å; L263-V367 HydrophobicContact CD1-CG1 3.46Å; L263-V367 VanDerWaalsContact CD1-CG1 3.46Å; L263-V367 HydrophobicContact CD1-CG2 4.23Å; F363-V367 HydrophobicContact CE1-CG2 4.27Å; F363-V367 HydrophobicContact CE2-CG2 4.41Å; F363-V367 HydrophobicContact CZ-CG2 4.15Å; F363-V367 WeakPolarHBondContact O-CG2 3.46Å; A364-V367 PolarHBondContact O-N 3.25Å; C365-V367 VanDerWaalsContact C-N 3.35Å; C365-V367 PolarHBondContact O-N 3.16Å; V367-S370 WeakPolarHBondContact O-CB 3.34Å; V367-S370 PolarHBondContact O-N 3.06Å; V367-I371 HydrophobicContact CG1-CD1 3.74Å; V367-I371 WeakPolarHBondContact O-CG1 3.49Å; V367-I371 PolarHBondContact O-N 3.27Å; V367-I393 HydrophobicContact CG2-CG2 4.47Å; V367-L397 HydrophobicContact CG2-CD1 3.69Å; V367-I399 HydrophobicContact CG2-CD1 4.19Å
368V98.2Very high96.5Very high0 Ų016.5 Ų16.50%09%0.092CC..Hα-helixtrans-69.2-38.4-177.4-1770000111.3T253 H256 M260 A364 S370 I371 E372T253-V368 HydrophobicContact CG2-CG2 4.13Å; H256-V368 HydrophobicContact CB-CG2 4.14Å; M260-V368 HydrophobicContact CE-CG2 3.83Å; M260-V368 HydrophobicContact SD-CG2 4.11Å; A364-V368 WeakPolarHBondContact O-CB 3.46Å; A364-V368 WeakPolarHBondContact O-CG2 3.47Å; A364-V368 PolarHBondContact O-N 2.88Å; V368-S370 PolarHBondContact O-N 3.4Å; V368-I371 PolarHBondContact O-N 2.83Å; V368-E372 VanDerWaalsContact CG1-CD 3.42Å; V368-E372 HydrophobicContact CG1-CG 3.83Å; V368-E372 WeakPolarHBondContact O-CB 3.48Å; V368-E372 WeakPolarHBondContact O-CG 3.37Å; V368-E372 PolarHBondContact O-N 3.13Å
369D98.4Very high96.3Very high0 Ų017 Ų170%09%0.094CC..Hα-helixtrans-60.7-35.5174.5-70.6-14.4000111.9R185 R219 C365 V374 R379 Y390 R400 P402R185-D369 VanDerWaalsContact CD-OD1 3.3Å; R185-D369 WeakPolarHBondContact CD-OD1 3.22Å; R185-D369 IonicContact CZ-OD1 3.17Å; R185-D369 IonicContact CZ-OD2 3.89Å; R185-D369 IonicContact NE-OD1 3.43Å; R185-D369 PolarHBondContact NE-OD1 2.96Å; R185-D369 IonicContact NE-OD2 3.81Å; R185-D369 PolarHBondContact NE-OD2 3.18Å; R185-D369 IonicContact NH2-OD2 2.73Å; R185-D369 PolarHBondContact NH2-OD2 3.15Å; R219-D369 IonicContact CZ-OD1 3.64Å; R219-D369 VanDerWaalsContact CZ-OD1 3.22Å; R219-D369 IonicContact NH1-OD1 2.67Å; R219-D369 PolarHBondContact NH1-OD1 3.4Å; R219-D369 IonicContact NH2-OD1 2.73Å; R219-D369 PolarHBondContact NH2-OD1 3.18Å; C365-D369 WeakPolarHBondContact O-CB 3.07Å; C365-D369 PolarHBondContact O-N 3.14Å; D369-V374 HydrophobicContact CB-CB 4Å; D369-V374 HydrophobicContact CB-CG1 4.4Å; D369-V374 HydrophobicContact CB-CG2 4.18Å; D369-V374 VanDerWaalsContact O-CB 3.3Å; D369-V374 WeakPolarHBondContact O-CB 3.39Å; D369-V374 PolarHBondContact O-N 3.18Å; D369-R379 IonicContact OD2-NH2 3.6Å; D369-Y390 VanDerWaalsContact CB-OH 3.29Å; D369-Y390 WeakPolarHBondContact CB-OH 3.31Å; D369-Y390 PolarHBondContact OD2-OH 3.24Å; D369-R400 PolarHBondContact O-NH2 2.94Å; D369-P402 HydrophobicContact CB-CG 3.77Å
370S98.1Very high95.9Very high18 Ų1818.3 Ų18.313%0.12610%0.102CC..Hα-helixtrans-64.7-52.1172.7178.50000111.4P366 V367 V368 G373 R400P366-S370 WeakPolarHBondContact O-CB 3.37Å; P366-S370 PolarHBondContact O-N 2.75Å; P366-S370 VanDerWaalsContact O-N 3.1Å; V367-S370 WeakPolarHBondContact O-CB 3.34Å; V367-S370 PolarHBondContact O-N 3.06Å; V368-S370 PolarHBondContact O-N 3.4Å; S370-G373 PolarHBondContact O-N 2.77Å; S370-R400 VanDerWaalsContact CB-O 3.25Å; S370-R400 WeakPolarHBondContact CB-O 3.33Å; S370-R400 PolarHBondContact O-NH2 3.23Å; S370-R400 PolarHBondContact OG-N 3.46Å; S370-R400 PolarHBondContact OG-O 3.17Å
371I97.1Very high95.5Very high76 Ų7617.6 Ų17.639%0.3910%0.101SC..Hα-helixtrans-61.8-45.2-176.1-67.3167.2000111.6H256 E259 V367 V368 G373H256-I371 HydrophobicContact CB-CD1 4.46Å; E259-I371 HydrophobicContact CB-CD1 4.15Å; E259-I371 HydrophobicContact CG-CD1 4.48Å; V367-I371 HydrophobicContact CG1-CD1 3.74Å; V367-I371 WeakPolarHBondContact O-CG1 3.49Å; V367-I371 PolarHBondContact O-N 3.27Å; V368-I371 PolarHBondContact O-N 2.83Å; I371-G373 PolarHBondContact O-N 3.3Å
372E97.5Very high95Very high36 Ų3620.1 Ų20.117%0.16812%0.115CC..THydrogen-bonded Turntrans-78.33.9-177-66.5-176.7155.300113.7I217 R219 S251 H256 V368 V374I217-E372 HydrophobicContact CD1-CB 3.88Å; R219-E372 WeakPolarHBondContact CD-OE2 3.15Å; R219-E372 IonicContact CZ-OE2 3.08Å; R219-E372 IonicContact NH1-OE2 3.51Å; R219-E372 PolarHBondContact NH1-OE2 2.56Å; S251-E372 VanDerWaalsContact CB-OE1 3.27Å; S251-E372 WeakPolarHBondContact CB-OE1 3.26Å; S251-E372 PolarHBondContact OG-OE1 3.42Å; H256-E372 IonicContact CD2-OE1 3.46Å; H256-E372 IonicContact NE2-OE1 3.71Å; H256-E372 PolarHBondContact NE2-OE1 2.99Å; V368-E372 VanDerWaalsContact CG1-CD 3.42Å; V368-E372 HydrophobicContact CG1-CG 3.83Å; V368-E372 WeakPolarHBondContact O-CB 3.48Å; V368-E372 WeakPolarHBondContact O-CG 3.37Å; V368-E372 PolarHBondContact O-N 3.13Å; E372-V374 VanDerWaalsContact C-N 3.31Å; E372-V374 HydrophobicContact CB-CG2 4.36Å; E372-V374 PolarHBondContact O-N 3.27Å
373G96.6Very high94.7Very high30 Ų3022.8 Ų22.831%0.30912%0.124SC..THydrogen-bonded Turntrans75.416176.200000114.4V183 S370 I371 T375 R400V183-G373 WeakPolarHBondContact CB-O 3.49Å; S370-G373 PolarHBondContact O-N 2.77Å; I371-G373 PolarHBondContact O-N 3.3Å; G373-T375 PolarHBondContact O-N 2.86Å; G373-R400 VanDerWaalsContact CA-NH2 3.25Å
374V98.2Very high94.3Very high0 Ų026.6 Ų26.60%014%0.144CC..  trans-59.5122.3177.6176.70000109.4R185 I217 D369 E372 R400 P402R185-V374 VanDerWaalsContact CD-CG2 3.44Å; R185-V374 HydrophobicContact CG-CG2 4.48Å; I217-V374 HydrophobicContact CD1-CG2 4.27Å; D369-V374 HydrophobicContact CB-CB 4Å; D369-V374 HydrophobicContact CB-CG1 4.4Å; D369-V374 HydrophobicContact CB-CG2 4.18Å; D369-V374 VanDerWaalsContact O-CB 3.3Å; D369-V374 WeakPolarHBondContact O-CB 3.39Å; D369-V374 PolarHBondContact O-N 3.18Å; E372-V374 VanDerWaalsContact C-N 3.31Å; E372-V374 HydrophobicContact CB-CG2 4.36Å; E372-V374 PolarHBondContact O-N 3.27Å; V374-R400 VanDerWaalsContact O-CZ 3.27Å; V374-R400 PolarHBondContact O-NH1 2.86Å; V374-R400 PolarHBondContact O-NH2 2.94Å; V374-P402 WeakPolarHBondContact O-CB 3.25Å; V374-P402 WeakPolarHBondContact O-CG 3.42Å
375T97.5Very high94Very high38 Ų3831.5 Ų31.523%0.23317%0.17CC..  trans-90.7-40.8179.260.40000111.5E181 V182 V183 G373 I403E181-T375 WeakPolarHBondContact O-CG2 3.47Å; V182-T375 WeakPolarHBondContact CA-OG1 3.22Å; V183-T375 HydrophobicContact CB-CG2 4.43Å; V183-T375 PolarHBondContact N-OG1 2.87Å; V183-T375 PolarHBondContact O-N 2.71Å; V183-T375 PolarHBondContact O-OG1 2.8Å; G373-T375 PolarHBondContact O-N 2.86Å; T375-I403 PolarHBondContact O-N 2.85Å
376H96.9Very high93.9Very high4 Ų435.6 Ų35.62%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-124.1117.3-176.3-64.579.4000111.4L174 P175 V183 V184 L378 I403 I405L174-H376 HydrophobicContact CD1-CB 4.33Å; L174-H376 HydrophobicContact CD2-CB 4.35Å; P175-H376 PolarHBondContact O-NE2 3.4Å; V183-H376 PolarHBondContact O-N 3.03Å; V184-H376 HydrophobicContact CG1-CB 4.17Å; H376-L378 HydrophobicContact CB-CD1 4.26Å; H376-L378 PolarHBondContact O-N 2.64Å; H376-I403 CarbonylContact C-O 3.52Å; H376-I403 WeakPolarHBondContact CA-O 3.41Å; H376-I405 HydrophobicContact CB-CG1 4.47Å
377A96.1Very high93.9Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-9782.6-17200000111.6R185 R379 P402 I403 V404 I405R185-A377 VanDerWaalsContact NH1-C 3.34Å; A377-R379 PolarHBondContact O-N 2.7Å; A377-P402 HydrophobicContact CB-CB 4.17Å; A377-I403 PolarHBondContact N-O 3.23Å; A377-V404 HydrophobicContact CB-CB 4.39Å; A377-V404 HydrophobicContact CB-CG2 4.01Å; A377-V404 WeakPolarHBondContact O-CA 3.4Å; A377-V404 WeakPolarHBondContact O-CG1 3.3Å; A377-I405 PolarHBondContact O-N 3.22Å
378L93.6Very high93.7Very high8 Ų842.4 Ų42.44%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-69.7127.8-179.9-79.174.6000112.3V184 L204 Y208 H376 I405 Y407V184-L378 HydrophobicContact CG1-CD1 3.8Å; L204-L378 HydrophobicContact CB-CD2 4.2Å; Y208-L378 HydrophobicContact CD2-CD2 3.57Å; Y208-L378 HydrophobicContact CE2-CD2 3.83Å; H376-L378 HydrophobicContact CB-CD1 4.26Å; H376-L378 PolarHBondContact O-N 2.64Å; L378-I405 WeakPolarHBondContact CA-O 3.43Å; L378-I405 HydrophobicContact CG-CB 4.34Å; L378-Y407 HydrophobicContact CB-CD1 4.27Å; L378-Y407 HydrophobicContact CB-CE1 4.03Å
379R91.8Very high93.7Very high12 Ų1242.6 Ų42.65%0.04522%0.219CC..EExtended strand (participates in β ladder)trans-144.3155.1179.8-66.5-174.9176.9170.1-0.6112.6C365 D369 A377 V404 I405 D406 Y407C365-R379 PolarHBondContact SG-NH2 2.77Å; D369-R379 IonicContact OD2-NH2 3.6Å; A377-R379 PolarHBondContact O-N 2.7Å; R379-V404 HydrophobicContact CB-CG1 4.45Å; R379-V404 HydrophobicContact CG-CG1 4.36Å; R379-I405 PolarHBondContact N-O 3.2Å; R379-D406 CarbonylContact O-C 3.56Å; R379-D406 VanDerWaalsContact O-CA 3.26Å; R379-D406 WeakPolarHBondContact O-CA 3.44Å; R379-Y407 WeakPolarHBondContact O-CD1 3.37Å; R379-Y407 WeakPolarHBondContact O-CE1 3.4Å; R379-Y407 PolarHBondContact O-N 2.64Å
380T89.6Confident93.7Very high27 Ų2742.8 Ų42.817%0.16622%0.22CC..EExtended strand (participates in β ladder)trans-71.5145.5172.652.90000110.8E382 Y383 Y407T380-E382 PolarHBondContact O-N 2.93Å; T380-Y383 PolarHBondContact O-N 3.45Å; T380-Y383 WeakPolarHBondContact OG1-CD2 3.32Å; T380-Y407 CarbonylContact C-O 3.55Å; T380-Y407 WeakPolarHBondContact CA-O 3.41Å; T380-Y407 HydrophobicContact CG2-CD2 4.25Å; T380-Y407 HydrophobicContact CG2-CE2 3.48Å; T380-Y407 VanDerWaalsContact CG2-CE2 3.48Å
381S86.3Confident93.6Very high36 Ų3644.1 Ų44.125%0.25223%0.232SC..G310 helixtrans-58.5-14.3-179.954.70000114.9Y383 N384 Y407S381-Y383 PolarHBondContact O-N 2.73Å; S381-N384 WeakPolarHBondContact O-CB 3.34Å; S381-N384 PolarHBondContact O-N 2.93Å; S381-N384 VanDerWaalsContact O-N 3.08Å; S381-Y407 PolarHBondContact N-O 2.86Å
382E81.4Confident93.7Very high108 Ų10843 Ų4351%0.50522%0.223SC..G310 helixtrans-60.7-21.9169.6-60.8-165129.900113.9T380 R409T380-E382 PolarHBondContact O-N 2.93Å; E382-R409 HydrophobicContact CG-CB 4.25Å; E382-R409 WeakPolarHBondContact OE1-CD 3.28Å; E382-R409 IonicContact OE1-CZ 3.69Å; E382-R409 IonicContact OE1-NE 3.62Å; E382-R409 IonicContact OE1-NH1 4Å; E382-R409 PolarHBondContact OE1-NH1 3.49Å; E382-R409 VanDerWaalsContact OE2-CD 3.28Å; E382-R409 WeakPolarHBondContact OE2-CD 3.09Å; E382-R409 IonicContact OE2-CZ 2.67Å; E382-R409 IonicContact OE2-NE 3.59Å; E382-R409 IonicContact OE2-NH1 2.69Å
383Y84.4Confident93.7Very high82 Ų8241.4 Ų41.432%0.32222%0.215SC..G310 helixtrans-97.68.2177.2-65.2-94.5000112.4Y361 T380 S381 D385 R386 N387Y361-Y383 HydrophobicContact CD1-CE1 4.43Å; Y361-Y383 HydrophobicContact CE1-CD1 4.47Å; Y361-Y383 HydrophobicContact CE1-CE1 4.23Å; T380-Y383 PolarHBondContact O-N 3.45Å; T380-Y383 WeakPolarHBondContact OG1-CD2 3.32Å; S381-Y383 PolarHBondContact O-N 2.73Å; Y383-D385 VanDerWaalsContact C-N 3.33Å; Y383-D385 PolarHBondContact O-N 2.92Å; Y383-R386 VanDerWaalsContact CD1-CD 3.47Å; Y383-R386 WeakPolarHBondContact O-CA 3.17Å; Y383-R386 VanDerWaalsContact O-CB 3.29Å; Y383-R386 WeakPolarHBondContact O-CB 3.09Å; Y383-R386 PolarHBondContact O-N 2.89Å; Y383-N387 PolarHBondContact O-N 3.3Å; Y383-N387 PolarHBondContact O-OD1 3.44Å
384N89.3Confident93.8Very high79 Ų7940 Ų4042%0.42220%0.201SC..THydrogen-bonded Turntrans-58.9-42.6-173.5-17223.6000112.5S381 R386 N387S381-N384 WeakPolarHBondContact O-CB 3.34Å; S381-N384 PolarHBondContact O-N 2.93Å; S381-N384 VanDerWaalsContact O-N 3.08Å; N384-R386 PolarHBondContact O-N 2.76Å; N384-R386 VanDerWaalsContact O-N 3.08Å; N384-N387 WeakPolarHBondContact O-CB 3.48Å; N384-N387 PolarHBondContact O-N 3.18Å; N384-N387 PolarHBondContact OD1-ND2 3.39Å; N384-N387 VanDerWaalsContact OD1-ND2 3.11Å
385D91.3Very high93.8Very high105 Ų10548.6 Ų48.656%0.56124%0.238SC*.Hα-helixtrans-58.3-24.9174.4-69.9-1.3000112.5N332 A334 Y383N332-D385 PolarHBondContact ND2-O 3.03Å; N332-D385 PolarHBondContact OD1-O 3.5Å; A334-D385 HydrophobicContact CB-CB 4.42Å; A334-D385 WeakPolarHBondContact CB-O 3.34Å; Y383-D385 VanDerWaalsContact C-N 3.33Å; Y383-D385 PolarHBondContact O-N 2.92Å
386R94.7Very high93.8Very high88 Ų8847.4 Ų47.433%0.33223%0.231SC..Hα-helixtrans-87.6-2.5178.2-59.6162.5179.5-125.2-2.6112.8A334 D362 Y383 N384 Q389 Y390A334-R386 HydrophobicContact CB-CG 3.88Å; D362-R386 IonicContact OD1-CZ 3.37Å; D362-R386 IonicContact OD1-NH1 2.88Å; D362-R386 PolarHBondContact OD1-NH1 3.01Å; D362-R386 IonicContact OD2-CZ 3.48Å; D362-R386 IonicContact OD2-NH1 2.82Å; D362-R386 PolarHBondContact OD2-NH1 3.41Å; Y383-R386 VanDerWaalsContact CD1-CD 3.47Å; Y383-R386 WeakPolarHBondContact O-CA 3.17Å; Y383-R386 VanDerWaalsContact O-CB 3.29Å; Y383-R386 WeakPolarHBondContact O-CB 3.09Å; Y383-R386 PolarHBondContact O-N 2.89Å; N384-R386 PolarHBondContact O-N 2.76Å; N384-R386 VanDerWaalsContact O-N 3.08Å; R386-Q389 WeakPolarHBondContact O-CB 3.33Å; R386-Q389 PolarHBondContact O-N 3.21Å; R386-Y390 WeakPolarHBondContact O-CB 3.26Å; R386-Y390 PolarHBondContact O-N 3.49Å
387N95.9Very high93.8Very high27 Ų2747.7 Ų47.714%0.14423%0.233CC..Hα-helixtrans-67.3-38.7176.9-68.4-14.6000111.5Y383 N384 Q389 Y390 A391 V404 D406Y383-N387 PolarHBondContact O-N 3.3Å; Y383-N387 PolarHBondContact O-OD1 3.44Å; N384-N387 WeakPolarHBondContact O-CB 3.48Å; N384-N387 PolarHBondContact O-N 3.18Å; N384-N387 PolarHBondContact OD1-ND2 3.39Å; N384-N387 VanDerWaalsContact OD1-ND2 3.11Å; N387-Q389 VanDerWaalsContact C-N 3.35Å; N387-Y390 WeakPolarHBondContact O-CB 3.29Å; N387-Y390 PolarHBondContact O-N 3.15Å; N387-A391 PolarHBondContact O-N 3.24Å; N387-V404 VanDerWaalsContact OD1-CG1 3.3Å; N387-V404 WeakPolarHBondContact OD1-CG1 3.3Å; N387-D406 VanDerWaalsContact ND2-CG 3.28Å; N387-D406 PolarHBondContact ND2-OD1 2.99Å; N387-D406 PolarHBondContact ND2-OD2 3.36Å
388E95.8Very high93.8Very high116 Ų11651.1 Ų51.154%0.54227%0.268SS..Hα-helixtrans-64.3-40.9172-70.1-177.4-107.600111.7N332 L335 A391 W392N332-E388 PolarHBondContact ND2-OE1 2.91Å; L335-E388 HydrophobicContact CD1-CB 4.19Å; L335-E388 HydrophobicContact CD2-CB 4.06Å; E388-A391 PolarHBondContact O-N 3.46Å; E388-W392 WeakPolarHBondContact O-CB 3.32Å; E388-W392 PolarHBondContact O-N 3.41Å
389Q97.2Very high94Very high5 Ų552.8 Ų52.82%0.02328%0.276CS..Hα-helixtrans-62.7-44.1176-176.1-164.464.800110.9I326 A334 L335 P338 D362 R386 N387 A391 W392 I393I326-Q389 HydrophobicContact CD1-CG 4.45Å; A334-Q389 PolarHBondContact O-NE2 3.1Å; L335-Q389 HydrophobicContact CD2-CB 3.91Å; P338-Q389 HydrophobicContact CG-CG 4.35Å; D362-Q389 VanDerWaalsContact CB-OE1 3.24Å; R386-Q389 WeakPolarHBondContact O-CB 3.33Å; R386-Q389 PolarHBondContact O-N 3.21Å; N387-Q389 VanDerWaalsContact C-N 3.35Å; Q389-A391 PolarHBondContact O-N 3.34Å; Q389-W392 PolarHBondContact O-N 3.03Å; Q389-I393 HydrophobicContact CG-CD1 4.31Å; Q389-I393 WeakPolarHBondContact O-CG1 3.06Å; Q389-I393 PolarHBondContact O-N 2.76Å
390Y97.8Very high94.3Very high3 Ų357 Ų571%0.01229%0.292CS..Hα-helixtrans-57.9-48.1175.2-175.4-85.1000111.5P366 D369 R386 N387 I393 C394 P402 V404P366-Y390 HydrophobicContact CB-CD1 4.38Å; P366-Y390 HydrophobicContact CB-CD2 3.48Å; P366-Y390 VanDerWaalsContact CB-CD2 3.48Å; P366-Y390 HydrophobicContact CB-CE1 4.27Å; P366-Y390 HydrophobicContact CB-CE2 3.35Å; P366-Y390 HydrophobicContact CB-CG 4.04Å; P366-Y390 HydrophobicContact CG-CD2 3.82Å; P366-Y390 HydrophobicContact CG-CE2 4.03Å; D369-Y390 VanDerWaalsContact CB-OH 3.29Å; D369-Y390 WeakPolarHBondContact CB-OH 3.31Å; D369-Y390 PolarHBondContact OD2-OH 3.24Å; R386-Y390 WeakPolarHBondContact O-CB 3.26Å; R386-Y390 PolarHBondContact O-N 3.49Å; N387-Y390 WeakPolarHBondContact O-CB 3.29Å; N387-Y390 PolarHBondContact O-N 3.15Å; Y390-I393 PolarHBondContact O-N 2.87Å; Y390-C394 PolarHBondContact O-N 3.01Å; Y390-C394 VanDerWaalsContact O-N 3.16Å; Y390-P402 WeakPolarHBondContact OH-CD 3.32Å; Y390-P402 VanDerWaalsContact OH-CG 3.32Å; Y390-P402 WeakPolarHBondContact OH-CG 3.32Å; Y390-V404 HydrophobicContact CD1-CG2 3.61Å; Y390-V404 HydrophobicContact CE1-CG2 3.69Å; Y390-V404 HydrophobicContact CG-CG2 4.11Å
391A97.5Very high94.6Very high46 Ų4658.6 Ų58.638%0.3830%0.304SS..Hα-helixtrans-64.4-39176.600000112.5N387 E388 Q389 I393 C394 K395N387-A391 PolarHBondContact O-N 3.24Å; E388-A391 PolarHBondContact O-N 3.46Å; Q389-A391 PolarHBondContact O-N 3.34Å; A391-I393 VanDerWaalsContact C-N 3.34Å; A391-I393 PolarHBondContact O-N 2.96Å; A391-C394 PolarHBondContact O-N 2.8Å; A391-K395 VanDerWaalsContact O-CB 3.31Å; A391-K395 WeakPolarHBondContact O-CB 3.19Å; A391-K395 PolarHBondContact O-N 2.97Å
392W97.9Very high95.2Very high54 Ų5457.1 Ų57.121%0.20529%0.294CS..Hα-helixtrans-61.4-41.9175.6-179.894.4000111.6K272 A324 I326 E388 Q389 K395 S396K272-W392 HydrophobicContact CB-CH2 4.36Å; K272-W392 HydrophobicContact CB-CZ2 4.45Å; A324-W392 HydrophobicContact CB-CH2 3.86Å; A324-W392 HydrophobicContact CB-CZ3 3.68Å; I326-W392 HydrophobicContact CD1-CD2 3.78Å; I326-W392 HydrophobicContact CD1-CE3 3.67Å; I326-W392 HydrophobicContact CD1-CG 4.27Å; I326-W392 HydrophobicContact CD1-CZ3 4.07Å; I326-W392 HydrophobicContact CG1-CD2 3.78Å; I326-W392 HydrophobicContact CG1-CE3 3.91Å; I326-W392 HydrophobicContact CG1-CG 4.45Å; I326-W392 HydrophobicContact CG1-CH2 3.92Å; I326-W392 HydrophobicContact CG1-CZ2 3.75Å; I326-W392 HydrophobicContact CG1-CZ3 4Å; I326-W392 HydrophobicContact CG2-CD2 4.44Å; I326-W392 HydrophobicContact CG2-CG 4.3Å; E388-W392 WeakPolarHBondContact O-CB 3.32Å; E388-W392 PolarHBondContact O-N 3.41Å; Q389-W392 PolarHBondContact O-N 3.03Å; W392-K395 PolarHBondContact O-N 2.73Å; W392-S396 WeakPolarHBondContact CZ2-OG 3.36Å; W392-S396 WeakPolarHBondContact O-CB 3.06Å; W392-S396 PolarHBondContact O-N 2.81Å; W392-S396 PolarHBondContact O-OG 3.12Å
393I98.2Very high95.8Very high1 Ų155.2 Ų55.21%0.00529%0.286CS..Hα-helixtrans-63.1-49.5177.9-67.8166.1000110.2D362 F363 P366 V367 Q389 Y390 A391 K395 S396 L397D362-I393 WeakPolarHBondContact O-CD1 3.35Å; F363-I393 HydrophobicContact CD2-CG2 4.25Å; F363-I393 HydrophobicContact CE2-CG2 4.43Å; P366-I393 HydrophobicContact CB-CB 4.43Å; P366-I393 HydrophobicContact CB-CG2 4.15Å; P366-I393 HydrophobicContact CG-CB 4.04Å; P366-I393 HydrophobicContact CG-CD1 3.94Å; P366-I393 HydrophobicContact CG-CG2 3.73Å; V367-I393 HydrophobicContact CG2-CG2 4.47Å; Q389-I393 HydrophobicContact CG-CD1 4.31Å; Q389-I393 WeakPolarHBondContact O-CG1 3.06Å; Q389-I393 PolarHBondContact O-N 2.76Å; Y390-I393 PolarHBondContact O-N 2.87Å; A391-I393 VanDerWaalsContact C-N 3.34Å; A391-I393 PolarHBondContact O-N 2.96Å; I393-K395 PolarHBondContact O-N 3.26Å; I393-S396 PolarHBondContact O-N 3.27Å; I393-L397 HydrophobicContact CG2-CD1 3.78Å; I393-L397 WeakPolarHBondContact O-CB 3.42Å; I393-L397 WeakPolarHBondContact O-CG 3.37Å; I393-L397 PolarHBondContact O-N 3.5Å
394C98.1Very high96.3Very high1 Ų152.6 Ų52.61%0.00728%0.279CS..Hα-helixtrans-59.5-46.7178.4-66.80000112.1Y390 A391 L397 G398 I399 C401Y390-C394 PolarHBondContact O-N 3.01Å; Y390-C394 VanDerWaalsContact O-N 3.16Å; A391-C394 PolarHBondContact O-N 2.8Å; C394-L397 PolarHBondContact O-N 3.33Å; C394-G398 PolarHBondContact O-N 3.08Å; C394-I399 HydrophobicContact CB-CG1 4.08Å; C394-I399 PolarHBondContact O-N 2.83Å; C394-I399 VanDerWaalsContact O-N 3.08Å; C394-C401 HydrophobicContact CB-CB 3.63Å
395K97.6Very high96.5Very high181 Ų18149.8 Ų49.879%0.78726%0.263SS*.Hα-helixtrans-62.6-43.1177.8-178-179.4178.2-178.50112A391 W392 I393 L397 G398A391-K395 VanDerWaalsContact O-CB 3.31Å; A391-K395 WeakPolarHBondContact O-CB 3.19Å; A391-K395 PolarHBondContact O-N 2.97Å; W392-K395 PolarHBondContact O-N 2.73Å; I393-K395 PolarHBondContact O-N 3.26Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 2.91Å; K395-G398 PolarHBondContact O-N 2.8Å
396S97.7Very high96.4Very high13 Ų1345.1 Ų45.19%0.09124%0.239CC..Hα-helixtrans-68.3-33.9-176.5-67.90000112.7K272 W392 I393K272-S396 PolarHBondContact NZ-O 2.86Å; W392-S396 WeakPolarHBondContact CZ2-OG 3.36Å; W392-S396 WeakPolarHBondContact O-CB 3.06Å; W392-S396 PolarHBondContact O-N 2.81Å; W392-S396 PolarHBondContact O-OG 3.12Å; I393-S396 PolarHBondContact O-N 3.27Å
397L97.8Very high96.2Very high10 Ų1041.6 Ų41.65%0.05223%0.225CC..Hα-helixtrans-87.2-9.7176.6-68.9173.6000113.7L263 L267 F363 V367 I393 C394 K395 I399L263-L397 HydrophobicContact CB-CD1 4.21Å; L263-L397 HydrophobicContact CB-CD2 3.8Å; L263-L397 HydrophobicContact CD1-CD1 4.44Å; L263-L397 HydrophobicContact CD2-CD2 4Å; L263-L397 HydrophobicContact CG-CD2 4.45Å; L263-L397 WeakPolarHBondContact O-CD2 3.4Å; L267-L397 HydrophobicContact CD1-CD2 3.96Å; L267-L397 HydrophobicContact CD1-CG 4.36Å; L267-L397 HydrophobicContact CD2-CD2 3.67Å; L267-L397 HydrophobicContact CD2-CG 4.14Å; L267-L397 HydrophobicContact CG-CD2 3.54Å; L267-L397 HydrophobicContact CG-CG 4.31Å; F363-L397 HydrophobicContact CE2-CD1 4.14Å; F363-L397 HydrophobicContact CZ-CD1 4.42Å; V367-L397 HydrophobicContact CG2-CD1 3.69Å; I393-L397 HydrophobicContact CG2-CD1 3.78Å; I393-L397 WeakPolarHBondContact O-CB 3.42Å; I393-L397 WeakPolarHBondContact O-CG 3.37Å; I393-L397 PolarHBondContact O-N 3.5Å; C394-L397 PolarHBondContact O-N 3.33Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 2.91Å; L397-I399 VanDerWaalsContact C-N 3.28Å; L397-I399 HydrophobicContact CB-CD1 4.31Å; L397-I399 HydrophobicContact CB-CG1 4.11Å; L397-I399 HydrophobicContact CB-CG2 4.09Å; L397-I399 HydrophobicContact CD1-CD1 4.11Å; L397-I399 PolarHBondContact O-N 2.96Å
398G96.3Very high95.7Very high71 Ų7140.4 Ų40.473%0.73222%0.219SC*.THydrogen-bonded Turntrans67.326.4-176.200000113.9C394 K395C394-G398 PolarHBondContact O-N 3.08Å; K395-G398 PolarHBondContact O-N 2.8Å
399I97.6Very high95.2Very high43 Ų4340 Ų4022%0.22121%0.213CC..  trans-98.7163.3179.763.5176.8000111.3V367 C394 L397 C401V367-I399 HydrophobicContact CG2-CD1 4.19Å; C394-I399 HydrophobicContact CB-CG1 4.08Å; C394-I399 PolarHBondContact O-N 2.83Å; C394-I399 VanDerWaalsContact O-N 3.08Å; L397-I399 VanDerWaalsContact C-N 3.28Å; L397-I399 HydrophobicContact CB-CD1 4.31Å; L397-I399 HydrophobicContact CB-CG1 4.11Å; L397-I399 HydrophobicContact CB-CG2 4.09Å; L397-I399 HydrophobicContact CD1-CD1 4.11Å; L397-I399 PolarHBondContact O-N 2.96Å; I399-C401 PolarHBondContact O-N 3.05Å
400R97.3Very high94.7Very high100 Ų10040 Ų4038%0.37721%0.213SC..  trans-59.4134.9175.1-173.4179.964.379.17.9109.3D369 S370 G373 V374 P402D369-R400 PolarHBondContact O-NH2 2.94Å; S370-R400 VanDerWaalsContact CB-O 3.25Å; S370-R400 WeakPolarHBondContact CB-O 3.33Å; S370-R400 PolarHBondContact O-NH2 3.23Å; S370-R400 PolarHBondContact OG-N 3.46Å; S370-R400 PolarHBondContact OG-O 3.17Å; G373-R400 VanDerWaalsContact CA-NH2 3.25Å; V374-R400 VanDerWaalsContact O-CZ 3.27Å; V374-R400 PolarHBondContact O-NH1 2.86Å; V374-R400 PolarHBondContact O-NH2 2.94Å; R400-P402 VanDerWaalsContact O-CD 3.3Å; R400-P402 WeakPolarHBondContact O-CD 3.27Å
401C97.4Very high94.1Very high62 Ų6241.6 Ų41.642%0.41923%0.227SC..  trans-101.4109.7175.9-169.10000110C394 I399C394-C401 HydrophobicContact CB-CB 3.63Å; I399-C401 PolarHBondContact O-N 3.05Å
402P97.1Very high93.8Very high4 Ų439.9 Ų39.93%0.02621%0.211CC..  trans-60151.2169.6-25.236.2000111.9D369 V374 A377 Y390 R400 V404D369-P402 HydrophobicContact CB-CG 3.77Å; V374-P402 WeakPolarHBondContact O-CB 3.25Å; V374-P402 WeakPolarHBondContact O-CG 3.42Å; A377-P402 HydrophobicContact CB-CB 4.17Å; Y390-P402 WeakPolarHBondContact OH-CD 3.32Å; Y390-P402 VanDerWaalsContact OH-CG 3.32Å; Y390-P402 WeakPolarHBondContact OH-CG 3.32Å; R400-P402 VanDerWaalsContact O-CD 3.3Å; R400-P402 WeakPolarHBondContact O-CD 3.27Å; P402-V404 PolarHBondContact O-N 2.69Å
403I96Very high93.4Very high68 Ų6838.5 Ų38.535%0.34921%0.207SC..EExtended strand (participates in β ladder)trans-82.2113.8179.9-60.2173.2000108.6P175 T375 H376 A377 I405P175-I403 HydrophobicContact CB-CD1 4.42Å; P175-I403 HydrophobicContact CG-CG2 4.42Å; P175-I403 WeakPolarHBondContact O-CD1 3.45Å; T375-I403 PolarHBondContact O-N 2.85Å; H376-I403 CarbonylContact C-O 3.52Å; H376-I403 WeakPolarHBondContact CA-O 3.41Å; A377-I403 PolarHBondContact N-O 3.23Å; I403-I405 HydrophobicContact CG2-CD1 3.83Å
404V94.8Very high93.2Very high28 Ų2839.8 Ų39.817%0.1721%0.214CC..EExtended strand (participates in β ladder)trans-78.8129.4179.1-173.60000110.6A377 R379 N387 Y390 P402A377-V404 HydrophobicContact CB-CB 4.39Å; A377-V404 HydrophobicContact CB-CG2 4.01Å; A377-V404 WeakPolarHBondContact O-CA 3.4Å; A377-V404 WeakPolarHBondContact O-CG1 3.3Å; R379-V404 HydrophobicContact CB-CG1 4.45Å; R379-V404 HydrophobicContact CG-CG1 4.36Å; N387-V404 VanDerWaalsContact OD1-CG1 3.3Å; N387-V404 WeakPolarHBondContact OD1-CG1 3.3Å; Y390-V404 HydrophobicContact CD1-CG2 3.61Å; Y390-V404 HydrophobicContact CE1-CG2 3.69Å; Y390-V404 HydrophobicContact CG-CG2 4.11Å; P402-V404 PolarHBondContact O-N 2.69Å
405I91.8Very high92.9Very high19 Ų1941 Ų4110%0.09722%0.222CC..EExtended strand (participates in β ladder)trans-118.5107.7-179.9-54.8-61.9000108.7L174 P175 H376 A377 L378 R379 I403L174-I405 HydrophobicContact CD2-CD1 4.21Å; L174-I405 HydrophobicContact CD2-CG1 3.8Å; L174-I405 HydrophobicContact CD2-CG2 4.35Å; P175-I405 HydrophobicContact CG-CD1 4.46Å; H376-I405 HydrophobicContact CB-CG1 4.47Å; A377-I405 PolarHBondContact O-N 3.22Å; L378-I405 WeakPolarHBondContact CA-O 3.43Å; L378-I405 HydrophobicContact CG-CB 4.34Å; R379-I405 PolarHBondContact N-O 3.2Å; I403-I405 HydrophobicContact CG2-CD1 3.83Å
406D90.5Very high92.6Very high8 Ų833 Ų334%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-78.4135.5176.1-50.8-66.9000112R379 N387 R466R379-D406 CarbonylContact O-C 3.56Å; R379-D406 VanDerWaalsContact O-CA 3.26Å; R379-D406 WeakPolarHBondContact O-CA 3.44Å; N387-D406 VanDerWaalsContact ND2-CG 3.28Å; N387-D406 PolarHBondContact ND2-OD1 2.99Å; N387-D406 PolarHBondContact ND2-OD2 3.36Å; D406-R466 HydrophobicContact CB-CG 4.43Å; D406-R466 WeakPolarHBondContact O-CG 3.41Å
407Y89.2Confident92.2Very high13 Ų1333 Ų335%0.05119%0.187CC..EExtended strand (participates in β ladder)trans-128.7160.8167.664.9-91.4000110.4A201 L204 L378 R379 T380 S381A201-Y407 WeakPolarHBondContact CB-OH 3.38Å; L204-Y407 HydrophobicContact CD1-CD1 4.26Å; L204-Y407 HydrophobicContact CD1-CD2 3.67Å; L204-Y407 HydrophobicContact CD1-CE2 3.99Å; L204-Y407 HydrophobicContact CD1-CG 3.82Å; L378-Y407 HydrophobicContact CB-CD1 4.27Å; L378-Y407 HydrophobicContact CB-CE1 4.03Å; R379-Y407 WeakPolarHBondContact O-CD1 3.37Å; R379-Y407 WeakPolarHBondContact O-CE1 3.4Å; R379-Y407 PolarHBondContact O-N 2.64Å; T380-Y407 CarbonylContact C-O 3.55Å; T380-Y407 WeakPolarHBondContact CA-O 3.41Å; T380-Y407 HydrophobicContact CG2-CD2 4.25Å; T380-Y407 HydrophobicContact CG2-CE2 3.48Å; T380-Y407 VanDerWaalsContact CG2-CE2 3.48Å; S381-Y407 PolarHBondContact N-O 2.86Å
408S86.4Confident91.7Very high2 Ų234.7 Ų34.71%0.01420%0.199CC..PPolyproline II helixtrans-70.9141.9-175.163.40000113.2K200 S465 S467K200-S408 PolarHBondContact NZ-O 3.31Å; K200-S408 PolarHBondContact NZ-OG 3.13Å; K200-S408 VanDerWaalsContact NZ-OG 3.09Å; S408-S465 WeakPolarHBondContact CB-O 3.45Å; S408-S465 PolarHBondContact N-O 3.27Å; S408-S465 PolarHBondContact OG-O 2.68Å; S408-S467 WeakPolarHBondContact CB-O 3.41Å; S408-S467 PolarHBondContact OG-O 3.14Å
409R86.2Confident91.1Very high107 Ų10733.8 Ų33.840%0.40418%0.175SC..PPolyproline II helixtrans-61.6136.8165.2174.4169.2179.4-173.67.7110.1E382E382-R409 HydrophobicContact CG-CB 4.25Å; E382-R409 WeakPolarHBondContact OE1-CD 3.28Å; E382-R409 IonicContact OE1-CZ 3.69Å; E382-R409 IonicContact OE1-NE 3.62Å; E382-R409 IonicContact OE1-NH1 4Å; E382-R409 PolarHBondContact OE1-NH1 3.49Å; E382-R409 VanDerWaalsContact OE2-CD 3.28Å; E382-R409 WeakPolarHBondContact OE2-CD 3.09Å; E382-R409 IonicContact OE2-CZ 2.67Å; E382-R409 IonicContact OE2-NE 3.59Å; E382-R409 IonicContact OE2-NH1 2.69Å
410L84.7Confident90.4Very high6 Ų641.9 Ų41.93%0.03120%0.203CC..PPolyproline II helixtrans-80118.8169.1-177.261.2000109.4I196 K200 L412 L417 F458 M471I196-L410 HydrophobicContact CB-CD2 4.45Å; I196-L410 HydrophobicContact CD1-CD2 4.29Å; I196-L410 HydrophobicContact CG1-CD2 3.87Å; I196-L410 HydrophobicContact CG2-CD2 4.03Å; K200-L410 HydrophobicContact CD-CB 3.95Å; L410-L412 HydrophobicContact CD1-CD2 4.33Å; L410-L412 HydrophobicContact CG-CG 4.41Å; L410-L417 WeakPolarHBondContact O-CD1 3.26Å; L410-F458 HydrophobicContact CD1-CE1 4.26Å; L410-F458 HydrophobicContact CD1-CZ 4.22Å; L410-F458 HydrophobicContact CD2-CE1 4.37Å; L410-M471 HydrophobicContact CD1-CG 4.37Å
411A86.7Confident90.1Very high37 Ų3740.4 Ų40.431%0.30620%0.199SC..EExtended strand (participates in β ladder)trans-115.6139169.800000108.7L470 M471A411-L470 HydrophobicContact CB-CD1 3.93Å; A411-M471 PolarHBondContact O-N 3.05Å
412L89.7Confident89.8Confident9 Ų937.6 Ų37.65%0.04718%0.18CC..EExtended strand (participates in β ladder)trans-122.8142.3-179.7-67.4170.6000110.3I196 L410 T415 M471 W473 I476I196-L412 HydrophobicContact CD1-CD1 4.25Å; I196-L412 HydrophobicContact CG2-CD1 3.65Å; L410-L412 HydrophobicContact CD1-CD2 4.33Å; L410-L412 HydrophobicContact CG-CG 4.41Å; L412-T415 HydrophobicContact CB-CG2 4.27Å; L412-M471 CarbonylContact C-O 3.56Å; L412-M471 VanDerWaalsContact CA-O 3.29Å; L412-M471 WeakPolarHBondContact CA-O 3.2Å; L412-M471 HydrophobicContact CD2-CB 3.88Å; L412-W473 HydrophobicContact CD1-CD2 4.43Å; L412-W473 HydrophobicContact CD1-CH2 3.97Å; L412-W473 HydrophobicContact CD1-CZ2 3.56Å; L412-I476 HydrophobicContact CD1-CD1 4.28Å; L412-I476 HydrophobicContact CD2-CD1 3.77Å
413Q90.8Very high89.4Confident25 Ų2538.3 Ų38.312%0.11719%0.186CC..THydrogen-bonded Turntrans-64152.1170.9-65.6-17119.600111T415 L470 M471 E472 A630Q413-T415 WeakPolarHBondContact O-CB 3.08Å; Q413-T415 PolarHBondContact O-N 3.11Å; Q413-T415 PolarHBondContact O-OG1 2.98Å; Q413-L470 HydrophobicContact CG-CD1 4.09Å; Q413-L470 HydrophobicContact CG-CD2 3.9Å; Q413-L470 HydrophobicContact CG-CG 3.82Å; Q413-M471 PolarHBondContact N-O 3.43Å; Q413-E472 HydrophobicContact CB-CG 4.37Å; Q413-E472 HydrophobicContact CG-CG 3.97Å; Q413-E472 VanDerWaalsContact NE2-CG 3.3Å; Q413-E472 PolarHBondContact NE2-OE1 2.83Å; Q413-E472 PolarHBondContact OE1-OE1 3.41Å; Q413-A630 CarbonylContact C-O 3.5Å; Q413-A630 VanDerWaalsContact CA-O 3.28Å; Q413-A630 WeakPolarHBondContact CA-O 3.19Å; Q413-A630 HydrophobicContact CB-CB 4.36Å
414N93.1Very high89.2Confident29 Ų2937 Ų3716%0.15518%0.177CC..THydrogen-bonded Turntrans55.818.8177-57.378.1000113.9N625 L627 A630N414-N625 HydrophobicContact CB-CB 3.67Å; N414-L627 WeakPolarHBondContact CB-O 3.49Å; N414-L627 PolarHBondContact ND2-O 2.91Å; N414-L627 WeakPolarHBondContact O-CB 3.32Å; N414-A630 PolarHBondContact N-O 3.48Å; N414-A630 WeakPolarHBondContact OD1-CA 3.35Å
415T92.1Very high89.1Confident27 Ų2735.7 Ų35.717%0.16617%0.169CC..  trans-135.9139.8-167.6-54.90000110.9L412 Q413 L417 P440 W473L412-T415 HydrophobicContact CB-CG2 4.27Å; Q413-T415 WeakPolarHBondContact O-CB 3.08Å; Q413-T415 PolarHBondContact O-N 3.11Å; Q413-T415 PolarHBondContact O-OG1 2.98Å; T415-L417 HydrophobicContact CG2-CD2 3.92Å; T415-L417 HydrophobicContact CG2-CG 4.45Å; T415-P440 HydrophobicContact CG2-CB 3.75Å; T415-P440 HydrophobicContact CG2-CG 3.84Å; T415-W473 HydrophobicContact CG2-CZ2 4.38Å; T415-W473 PolarHBondContact OG1-NE1 3.37Å
416V91.8Very high88.8Confident12 Ų1236.7 Ų36.77%0.07318%0.176CC..  trans-112.4133.8167.4-69.10000109.2K421 L422 F425 L627 L632 F638V416-K421 HydrophobicContact CB-CB 4.21Å; V416-K421 HydrophobicContact CB-CD 4Å; V416-K421 HydrophobicContact CG1-CD 3.81Å; V416-K421 HydrophobicContact CG2-CB 3.85Å; V416-K421 HydrophobicContact CG2-CD 4.41Å; V416-L422 HydrophobicContact CG2-CD2 4.35Å; V416-L422 WeakPolarHBondContact O-CD2 3.46Å; V416-F425 HydrophobicContact CG2-CD2 4.48Å; V416-F425 HydrophobicContact CG2-CE2 3.62Å; V416-F425 HydrophobicContact CG2-CZ 4.49Å; V416-L627 HydrophobicContact CG1-CD1 3.93Å; V416-L632 HydrophobicContact CG1-CD1 3.49Å; V416-L632 VanDerWaalsContact CG1-CD1 3.49Å; V416-F638 HydrophobicContact CG1-CB 4.42Å
417L89.4Confident88.6Confident14 Ų1443.6 Ų43.67%0.07321%0.208CC..  trans-105.5-5.3179.7-62.7179.2000113.2H195 I196 L410 T415 K419 P440H195-L417 PolarHBondContact CD2-O 2.88Å; H195-L417 PolarHBondContact NE2-O 3.23Å; I196-L417 HydrophobicContact CG2-CD1 4.41Å; I196-L417 HydrophobicContact CG2-CD2 3.82Å; L410-L417 WeakPolarHBondContact O-CD1 3.26Å; T415-L417 HydrophobicContact CG2-CD2 3.92Å; T415-L417 HydrophobicContact CG2-CG 4.45Å; L417-K419 PolarHBondContact O-N 3.21Å; L417-P440 HydrophobicContact CD2-CB 3.62Å; L417-P440 HydrophobicContact CD2-CG 3.73Å
418S87.5Confident88.5Confident45 Ų4548.4 Ų48.432%0.31523%0.231SC..  trans-71127-178.859.20000111.2R420 K421 L422S418-R420 PolarHBondContact O-N 2.8Å; S418-R420 VanDerWaalsContact O-N 3.11Å; S418-K421 PolarHBondContact O-N 3.39Å; S418-K421 VanDerWaalsContact OG-CB 3.22Å; S418-K421 WeakPolarHBondContact OG-CB 3.37Å; S418-K421 VanDerWaalsContact OG-CD 3.29Å; S418-K421 WeakPolarHBondContact OG-CD 3.48Å; S418-K421 WeakPolarHBondContact OG-CG 3.42Å; S418-L422 PolarHBondContact O-N 3.08Å
419K83.2Confident88.2Confident51 Ų5151.1 Ų51.122%0.22226%0.259CS..Hα-helixtrans-45.4-44.3177.1-66.3179176.7175.70113E189 S191 L417 L422 A423E189-K419 PolarHBondContact O-NZ 3.25Å; E189-K419 VanDerWaalsContact O-NZ 3.09Å; E189-K419 IonicContact OE2-NZ 2.86Å; E189-K419 PolarHBondContact OE2-NZ 2.97Å; S191-K419 PolarHBondContact OG-NZ 3.49Å; L417-K419 PolarHBondContact O-N 3.21Å; K419-L422 PolarHBondContact O-N 3.36Å; K419-A423 WeakPolarHBondContact O-CB 3.42Å; K419-A423 PolarHBondContact O-N 3.14Å
420R83.8Confident88.2Confident214 Ų21448.4 Ų48.481%0.80825%0.252SS*.Hα-helixtrans-61-44.2178-68.1-178.1-179.1167.4-1.4113.9S418 W424S418-R420 PolarHBondContact O-N 2.8Å; S418-R420 VanDerWaalsContact O-N 3.11Å; R420-W424 PolarHBondContact O-N 2.96Å
421K91Very high88.5Confident68 Ų6848.4 Ų48.430%0.29625%0.252SS..Hα-helixtrans-73.3-32.5179.7-62.4-177.6-179.9-174.40111.8V416 S418 W424 F425 F638V416-K421 HydrophobicContact CB-CB 4.21Å; V416-K421 HydrophobicContact CB-CD 4Å; V416-K421 HydrophobicContact CG1-CD 3.81Å; V416-K421 HydrophobicContact CG2-CB 3.85Å; V416-K421 HydrophobicContact CG2-CD 4.41Å; S418-K421 PolarHBondContact O-N 3.39Å; S418-K421 VanDerWaalsContact OG-CB 3.22Å; S418-K421 WeakPolarHBondContact OG-CB 3.37Å; S418-K421 VanDerWaalsContact OG-CD 3.29Å; S418-K421 WeakPolarHBondContact OG-CD 3.48Å; S418-K421 WeakPolarHBondContact OG-CG 3.42Å; K421-W424 PolarHBondContact O-N 2.88Å; K421-F425 VanDerWaalsContact O-CD2 3.3Å; K421-F425 WeakPolarHBondContact O-CD2 3.38Å; K421-F425 PolarHBondContact O-N 3.01Å; K421-F638 HydrophobicContact CB-CE1 4.03Å; K421-F638 HydrophobicContact CB-CE2 4Å; K421-F638 HydrophobicContact CB-CZ 3.72Å; K421-F638 HydrophobicContact CD-CD1 3.61Å; K421-F638 HydrophobicContact CD-CD2 4.45Å; K421-F638 HydrophobicContact CD-CE1 3.79Å; K421-F638 HydrophobicContact CD-CG 3.97Å; K421-F638 HydrophobicContact CD-CZ 4.29Å; K421-F638 HydrophobicContact CG-CD1 3.92Å; K421-F638 HydrophobicContact CG-CE1 3.52Å; K421-F638 HydrophobicContact CG-CE2 4.37Å; K421-F638 HydrophobicContact CG-CG 4.5Å; K421-F638 HydrophobicContact CG-CZ 3.77Å
422L90.6Very high88.1Confident4 Ų451.6 Ų51.62%0.02126%0.264CS..Hα-helixtrans-67.8-42.7174.1-67.5178.1000111.7V416 S418 K419 W424 F425 V426 W434 M439 P440V416-L422 HydrophobicContact CG2-CD2 4.35Å; V416-L422 WeakPolarHBondContact O-CD2 3.46Å; S418-L422 PolarHBondContact O-N 3.08Å; K419-L422 PolarHBondContact O-N 3.36Å; L422-W424 VanDerWaalsContact C-N 3.27Å; L422-W424 PolarHBondContact O-N 3.06Å; L422-F425 PolarHBondContact O-N 3.32Å; L422-V426 PolarHBondContact O-N 3.04Å; L422-W434 HydrophobicContact CB-CH2 4.16Å; L422-W434 HydrophobicContact CB-CZ3 3.63Å; L422-M439 HydrophobicContact CB-CE 3.94Å; L422-M439 HydrophobicContact CD2-CE 3.99Å; L422-M439 HydrophobicContact CD2-SD 4.06Å; L422-M439 HydrophobicContact CG-CE 4.48Å; L422-P440 HydrophobicContact CD1-CG 4.22Å; L422-P440 HydrophobicContact CD2-CG 3.78Å
423A87.5Confident88Confident19 Ų1951.7 Ų51.716%0.15727%0.268CS..Hα-helixtrans-57.6-42.5174.300000111.7K419 F425 V426 E427 W434K419-A423 WeakPolarHBondContact O-CB 3.42Å; K419-A423 PolarHBondContact O-N 3.14Å; A423-F425 VanDerWaalsContact C-N 3.32Å; A423-F425 PolarHBondContact O-N 2.81Å; A423-V426 WeakPolarHBondContact O-CB 3.48Å; A423-V426 PolarHBondContact O-N 3.35Å; A423-E427 WeakPolarHBondContact O-CG 3.3Å; A423-E427 PolarHBondContact O-N 2.8Å; A423-W434 VanDerWaalsContact CA-CH2 3.46Å; A423-W434 HydrophobicContact CB-CH2 3.81Å; A423-W434 HydrophobicContact CB-CZ2 3.99Å
424W92.7Very high87.8Confident39 Ų3953.1 Ų53.115%0.14827%0.272CS..Hα-helixtrans-57.6-39.6177.2-176.678.5000113.2R420 K421 L422 V426 E427 E428 F638 K639 V642R420-W424 PolarHBondContact O-N 2.96Å; K421-W424 PolarHBondContact O-N 2.88Å; L422-W424 VanDerWaalsContact C-N 3.27Å; L422-W424 PolarHBondContact O-N 3.06Å; W424-V426 VanDerWaalsContact C-N 3.28Å; W424-V426 PolarHBondContact O-N 3.35Å; W424-E427 PolarHBondContact O-N 3.48Å; W424-E428 HydrophobicContact CD2-CG 3.79Å; W424-E428 HydrophobicContact CE3-CG 4.35Å; W424-E428 HydrophobicContact CG-CG 4.15Å; W424-E428 HydrophobicContact CH2-CG 4.2Å; W424-E428 HydrophobicContact CZ2-CG 3.6Å; W424-E428 VanDerWaalsContact NE1-CG 3.32Å; W424-E428 PolarHBondContact NE1-OE1 3.28Å; W424-E428 WeakPolarHBondContact O-CB 3.23Å; W424-E428 WeakPolarHBondContact O-CG 3.49Å; W424-E428 PolarHBondContact O-N 3.2Å; W424-F638 HydrophobicContact CB-CZ 4.26Å; W424-F638 HydrophobicContact CD2-CE2 4.2Å; W424-F638 AromaticContact CD2-CZ 3.88Å; W424-F638 HydrophobicContact CD2-CZ 3.88Å; W424-F638 AromaticContact CE3-CE2 3.51Å; W424-F638 HydrophobicContact CE3-CE2 3.51Å; W424-F638 AromaticContact CE3-CZ 3.69Å; W424-F638 HydrophobicContact CE3-CZ 3.69Å; W424-F638 HydrophobicContact CG-CZ 4.15Å; W424-F638 AromaticContact CZ3-CE2 3.96Å; W424-F638 HydrophobicContact CZ3-CE2 3.96Å; W424-F638 HydrophobicContact CZ3-CZ 4.41Å; W424-K639 HydrophobicContact CD2-CG 4.29Å; W424-K639 HydrophobicContact CE3-CG 4.43Å; W424-K639 HydrophobicContact CH2-CB 4.07Å; W424-K639 HydrophobicContact CH2-CD 4.43Å; W424-K639 HydrophobicContact CH2-CG 3.82Å; W424-K639 HydrophobicContact CZ2-CB 4.17Å; W424-K639 HydrophobicContact CZ2-CD 3.76Å; W424-K639 HydrophobicContact CZ2-CG 3.65Å; W424-K639 HydrophobicContact CZ3-CG 4.22Å; W424-V642 HydrophobicContact CH2-CG2 4.19Å; W424-V642 HydrophobicContact CZ3-CG2 3.92Å
425F92.1Very high87.6Confident1 Ų155.2 Ų55.20%0.00428%0.283CS..Hα-helixtrans-62.5-36.5176.5-75.2-64.3000112.9V416 K421 L422 A423 G429 I430 V431 M439 L626 L627 F638 V642V416-F425 HydrophobicContact CG2-CD2 4.48Å; V416-F425 HydrophobicContact CG2-CE2 3.62Å; V416-F425 HydrophobicContact CG2-CZ 4.49Å; K421-F425 VanDerWaalsContact O-CD2 3.3Å; K421-F425 WeakPolarHBondContact O-CD2 3.38Å; K421-F425 PolarHBondContact O-N 3.01Å; L422-F425 PolarHBondContact O-N 3.32Å; A423-F425 VanDerWaalsContact C-N 3.32Å; A423-F425 PolarHBondContact O-N 2.81Å; F425-G429 PolarHBondContact O-N 3.39Å; F425-I430 HydrophobicContact CD1-CB 4.03Å; F425-I430 HydrophobicContact CD1-CG1 4.36Å; F425-I430 HydrophobicContact CD1-CG2 3.92Å; F425-I430 HydrophobicContact CE1-CG2 4.44Å; F425-I430 PolarHBondContact O-N 2.82Å; F425-V431 HydrophobicContact CB-CG1 4.38Å; F425-V431 HydrophobicContact CB-CG2 3.94Å; F425-V431 PolarHBondContact O-N 2.98Å; F425-M439 HydrophobicContact CB-SD 4.46Å; F425-L626 HydrophobicContact CD2-CD1 4.16Å; F425-L626 HydrophobicContact CE1-CB 4.39Å; F425-L626 HydrophobicContact CE2-CD1 4.2Å; F425-L626 HydrophobicContact CG-CD1 4.35Å; F425-L626 HydrophobicContact CZ-CB 4.2Å; F425-L626 HydrophobicContact CZ-CD1 4.44Å; F425-L627 HydrophobicContact CZ-CD2 4.04Å; F425-F638 HydrophobicContact CE1-CE2 4.45Å; F425-F638 HydrophobicContact CE2-CD2 4.26Å; F425-F638 AromaticContact CE2-CE2 3.99Å; F425-F638 HydrophobicContact CE2-CE2 3.99Å; F425-F638 AromaticContact CZ-CD2 3.95Å; F425-F638 HydrophobicContact CZ-CD2 3.95Å; F425-F638 AromaticContact CZ-CE2 3.9Å; F425-F638 HydrophobicContact CZ-CE2 3.9Å; F425-V642 HydrophobicContact CE1-CG1 4.11Å; F425-V642 HydrophobicContact CE1-CG2 3.79Å; F425-V642 HydrophobicContact CZ-CG2 4.42Å
426V86.4Confident87.7Confident40 Ų4054 Ų5424%0.24228%0.275CS..Hα-helixtrans-72.7-47.1177.8-179.30000110.2L422 A423 W424 E428 G429 V431 W434 M439L422-V426 PolarHBondContact O-N 3.04Å; A423-V426 WeakPolarHBondContact O-CB 3.48Å; A423-V426 PolarHBondContact O-N 3.35Å; W424-V426 VanDerWaalsContact C-N 3.28Å; W424-V426 PolarHBondContact O-N 3.35Å; V426-E428 VanDerWaalsContact C-N 3.3Å; V426-E428 PolarHBondContact O-N 3.48Å; V426-G429 PolarHBondContact O-N 3.46Å; V426-V431 HydrophobicContact CB-CG2 4.33Å; V426-V431 HydrophobicContact CG2-CG2 3.69Å; V426-W434 HydrophobicContact CG2-CD2 3.97Å; V426-W434 HydrophobicContact CG2-CE3 4.44Å; V426-W434 HydrophobicContact CG2-CG 4.27Å; V426-W434 HydrophobicContact CG2-CZ2 4.29Å; V426-M439 HydrophobicContact CG2-CE 3.96Å
427E86.9Confident87.9Confident153 Ų15353.5 Ų53.572%0.71527%0.272SS*.Hα-helixtrans-63.2-34.3-178.8-71.2164.9-172.700112.8A423 W424 G429A423-E427 WeakPolarHBondContact O-CG 3.3Å; A423-E427 PolarHBondContact O-N 2.8Å; W424-E427 PolarHBondContact O-N 3.48Å; E427-G429 VanDerWaalsContact C-N 3.3Å
428E86.4Confident88.1Confident114 Ų11454.3 Ų54.353%0.53328%0.275SS..THydrogen-bonded Turntrans-85.5-0.2176.7-60.9-78.2163.400113.4W424 V426 I430W424-E428 HydrophobicContact CD2-CG 3.79Å; W424-E428 HydrophobicContact CE3-CG 4.35Å; W424-E428 HydrophobicContact CG-CG 4.15Å; W424-E428 HydrophobicContact CH2-CG 4.2Å; W424-E428 HydrophobicContact CZ2-CG 3.6Å; W424-E428 VanDerWaalsContact NE1-CG 3.32Å; W424-E428 PolarHBondContact NE1-OE1 3.28Å; W424-E428 WeakPolarHBondContact O-CB 3.23Å; W424-E428 WeakPolarHBondContact O-CG 3.49Å; W424-E428 PolarHBondContact O-N 3.2Å; V426-E428 VanDerWaalsContact C-N 3.3Å; V426-E428 PolarHBondContact O-N 3.48Å; E428-I430 VanDerWaalsContact C-N 3.26Å; E428-I430 HydrophobicContact CB-CG1 4.03Å; E428-I430 PolarHBondContact O-N 3.21Å
429G79.2Confident88.4Confident59 Ų5952.2 Ų52.261%0.60826%0.26SS*.THydrogen-bonded Turntrans65.124.718000000114.4F425 V426 E427 V431F425-G429 PolarHBondContact O-N 3.39Å; V426-G429 PolarHBondContact O-N 3.46Å; E427-G429 VanDerWaalsContact C-N 3.3Å; G429-V431 VanDerWaalsContact C-N 3.31Å
430I86.2Confident89Confident51 Ų5150 Ų5026%0.26225%0.25SS..SBendtrans-73.6-30.7174.7-58.4-62.2000110.7F425 E428 R438 L626 V642F425-I430 HydrophobicContact CD1-CB 4.03Å; F425-I430 HydrophobicContact CD1-CG1 4.36Å; F425-I430 HydrophobicContact CD1-CG2 3.92Å; F425-I430 HydrophobicContact CE1-CG2 4.44Å; F425-I430 PolarHBondContact O-N 2.82Å; E428-I430 VanDerWaalsContact C-N 3.26Å; E428-I430 HydrophobicContact CB-CG1 4.03Å; E428-I430 PolarHBondContact O-N 3.21Å; I430-R438 PolarHBondContact O-NH1 3.47Å; I430-R438 PolarHBondContact O-NH2 3.28Å; I430-L626 HydrophobicContact CG2-CD2 4.3Å; I430-V642 HydrophobicContact CD1-CG1 4.47Å; I430-V642 HydrophobicContact CG2-CG1 3.87Å
431V90.6Very high89.5Confident6 Ų639.8 Ų39.84%0.03621%0.212CC..SBendtrans-118.9151.4174.8-63.70000110.5F425 V426 G429 G433 D436 M439 L626F425-V431 HydrophobicContact CB-CG1 4.38Å; F425-V431 HydrophobicContact CB-CG2 3.94Å; F425-V431 PolarHBondContact O-N 2.98Å; V426-V431 HydrophobicContact CB-CG2 4.33Å; V426-V431 HydrophobicContact CG2-CG2 3.69Å; G429-V431 VanDerWaalsContact C-N 3.31Å; V431-G433 PolarHBondContact O-N 3.45Å; V431-D436 WeakPolarHBondContact CA-OD2 3.15Å; V431-D436 HydrophobicContact CB-CB 3.74Å; V431-D436 WeakPolarHBondContact CB-OD2 3.48Å; V431-D436 HydrophobicContact CG1-CB 4.24Å; V431-M439 HydrophobicContact CB-CG 4.36Å; V431-M439 HydrophobicContact CG1-CG 4.18Å; V431-M439 HydrophobicContact CG1-SD 4.1Å; V431-M439 HydrophobicContact CG2-CE 4.44Å; V431-M439 HydrophobicContact CG2-CG 4.25Å; V431-M439 HydrophobicContact CG2-SD 4.01Å; V431-L626 HydrophobicContact CG1-CD1 4.05Å; V431-L626 HydrophobicContact CG1-CD2 3.62Å; V431-L626 HydrophobicContact CG1-CG 4.47Å
432D79.9Confident89.6Confident104 Ų10436.6 Ų36.656%0.55620%0.198SC*.SBendtrans-69.8-20.7-177.1-62.5-29.2000111.8D436 K647D432-D436 PolarHBondContact N-OD2 3.36Å; D432-K647 IonicContact OD2-NZ 2.79Å; D432-K647 PolarHBondContact OD2-NZ 3Å
433G86.5Confident89.6Confident11 Ų1137.1 Ų37.111%0.11320%0.202CC..SBendtrans169.2-167.9-178.800000112.2V431 D435 D436V431-G433 PolarHBondContact O-N 3.45Å; G433-D435 VanDerWaalsContact C-N 3.26Å; G433-D435 PolarHBondContact O-N 2.87Å; G433-D436 WeakPolarHBondContact O-CB 3.48Å; G433-D436 PolarHBondContact O-N 3.4Å
434W86.9Confident90Very high55 Ų5536.2 Ų36.221%0.20820%0.195CC..THydrogen-bonded Turntrans-74.1-18.4178.3-66.996.1000113.5Y193 L422 A423 V426 M439 T441Y193-W434 HydrophobicContact CD1-CB 4.36Å; Y193-W434 HydrophobicContact CD2-CB 3.74Å; Y193-W434 AromaticContact CD2-CD1 3.74Å; Y193-W434 AromaticContact CD2-CD2 3.28Å; Y193-W434 HydrophobicContact CD2-CD2 3.28Å; Y193-W434 AromaticContact CD2-CE2 3.72Å; Y193-W434 AromaticContact CD2-CE3 3.68Å; Y193-W434 HydrophobicContact CD2-CE3 3.68Å; Y193-W434 AromaticContact CD2-CG 3.3Å; Y193-W434 HydrophobicContact CD2-CG 3.3Å; Y193-W434 HydrophobicContact CD2-CZ2 4.43Å; Y193-W434 HydrophobicContact CD2-CZ3 4.37Å; Y193-W434 AromaticContact CD2-NE1 3.97Å; Y193-W434 HydrophobicContact CE1-CB 4.45Å; Y193-W434 HydrophobicContact CE2-CB 3.82Å; Y193-W434 AromaticContact CE2-CD1 3.21Å; Y193-W434 AromaticContact CE2-CD2 3.63Å; Y193-W434 HydrophobicContact CE2-CD2 3.63Å; Y193-W434 AromaticContact CE2-CE2 3.77Å; Y193-W434 HydrophobicContact CE2-CE3 4.46Å; Y193-W434 AromaticContact CE2-CG 3.26Å; Y193-W434 HydrophobicContact CE2-CG 3.26Å; Y193-W434 AromaticContact CE2-NE1 3.52Å; Y193-W434 HydrophobicContact CG-CB 4.02Å; Y193-W434 HydrophobicContact CG-CD2 4.2Å; Y193-W434 HydrophobicContact CG-CE3 4.32Å; Y193-W434 HydrophobicContact CG-CG 4.08Å; Y193-W434 AromaticContact CZ-CD1 3.92Å; L422-W434 HydrophobicContact CB-CH2 4.16Å; L422-W434 HydrophobicContact CB-CZ3 3.63Å; A423-W434 VanDerWaalsContact CA-CH2 3.46Å; A423-W434 HydrophobicContact CB-CH2 3.81Å; A423-W434 HydrophobicContact CB-CZ2 3.99Å; V426-W434 HydrophobicContact CG2-CD2 3.97Å; V426-W434 HydrophobicContact CG2-CE3 4.44Å; V426-W434 HydrophobicContact CG2-CG 4.27Å; V426-W434 HydrophobicContact CG2-CZ2 4.29Å; W434-M439 HydrophobicContact CD2-CE 4.45Å; W434-M439 HydrophobicContact CE3-CE 3.72Å; W434-M439 HydrophobicContact CZ3-CE 4.05Å; W434-T441 HydrophobicContact CE3-CG2 4.11Å; W434-T441 WeakPolarHBondContact O-CB 3.48Å; W434-T441 PolarHBondContact O-OG1 2.67Å
435D89.7Confident90.1Very high73 Ų7334.5 Ų34.539%0.3919%0.188SC..THydrogen-bonded Turntrans-97.38.2176.270.3-36.8000112.4G433 R447G433-D435 VanDerWaalsContact C-N 3.26Å; G433-D435 PolarHBondContact O-N 2.87Å; D435-R447 WeakPolarHBondContact O-CD 3.34Å; D435-R447 IonicContact OD2-NH1 3.34Å
436D94.2Very high90.2Very high0 Ų035.4 Ų35.40%019%0.193CC..  trans-57133.3173.8-175.7-64.3000109.9V431 D432 G433 R438 M439 G444V431-D436 WeakPolarHBondContact CA-OD2 3.15Å; V431-D436 HydrophobicContact CB-CB 3.74Å; V431-D436 WeakPolarHBondContact CB-OD2 3.48Å; V431-D436 HydrophobicContact CG1-CB 4.24Å; D432-D436 PolarHBondContact N-OD2 3.36Å; G433-D436 WeakPolarHBondContact O-CB 3.48Å; G433-D436 PolarHBondContact O-N 3.4Å; D436-R438 PolarHBondContact O-N 2.85Å; D436-R438 WeakPolarHBondContact OD1-CB 3.26Å; D436-R438 IonicContact OD1-CZ 3.54Å; D436-R438 PolarHBondContact OD1-N 3.3Å; D436-R438 IonicContact OD1-NE 2.68Å; D436-R438 PolarHBondContact OD1-NE 2.89Å; D436-R438 IonicContact OD1-NH2 3.23Å; D436-R438 IonicContact OD2-CZ 3.43Å; D436-R438 IonicContact OD2-NE 2.69Å; D436-R438 IonicContact OD2-NH2 2.85Å; D436-R438 PolarHBondContact OD2-NH2 3.34Å; D436-M439 HydrophobicContact CB-CG 3.93Å; D436-M439 VanDerWaalsContact O-CB 3.31Å; D436-M439 WeakPolarHBondContact O-CB 3.19Å; D436-M439 PolarHBondContact O-N 2.8Å; D436-G444 WeakPolarHBondContact O-CA 3.23Å
437P95.1Very high90.6Very high2 Ų236.1 Ų36.11%0.01319%0.192CC..THydrogen-bonded Turntrans-54.9-22.5-177.6-31.539.4000115.5R447 H448 Y623 I697P437-R447 HydrophobicContact CG-CG 4.31Å; P437-H448 HydrophobicContact CB-CB 3.76Å; P437-H448 PolarHBondContact O-ND1 3.03Å; P437-Y623 HydrophobicContact CB-CD1 4.46Å; P437-Y623 HydrophobicContact CB-CD2 3.61Å; P437-Y623 HydrophobicContact CB-CE2 3.77Å; P437-Y623 HydrophobicContact CB-CG 3.98Å; P437-Y623 HydrophobicContact CG-CD2 3.97Å; P437-Y623 HydrophobicContact CG-CE1 4.43Å; P437-Y623 HydrophobicContact CG-CE2 3.56Å; P437-I697 HydrophobicContact CG-CD1 3.8Å
438R94Very high91.1Very high32 Ų3229.5 Ų29.512%0.12116%0.161CC..THydrogen-bonded Turntrans-84.8-12.2177.9-57.4167.7-74.8176.50.7113.2I430 D436 Y623 D624 L626 S646I430-R438 PolarHBondContact O-NH1 3.47Å; I430-R438 PolarHBondContact O-NH2 3.28Å; D436-R438 PolarHBondContact O-N 2.85Å; D436-R438 WeakPolarHBondContact OD1-CB 3.26Å; D436-R438 IonicContact OD1-CZ 3.54Å; D436-R438 PolarHBondContact OD1-N 3.3Å; D436-R438 IonicContact OD1-NE 2.68Å; D436-R438 PolarHBondContact OD1-NE 2.89Å; D436-R438 IonicContact OD1-NH2 3.23Å; D436-R438 IonicContact OD2-CZ 3.43Å; D436-R438 IonicContact OD2-NE 2.69Å; D436-R438 IonicContact OD2-NH2 2.85Å; D436-R438 PolarHBondContact OD2-NH2 3.34Å; R438-Y623 HydrophobicContact CG-CD1 3.58Å; R438-Y623 HydrophobicContact CG-CG 3.98Å; R438-D624 WeakPolarHBondContact CG-O 3.48Å; R438-L626 HydrophobicContact CB-CD1 4.22Å; R438-L626 HydrophobicContact CB-CD2 3.81Å; R438-L626 HydrophobicContact CB-CG 3.71Å; R438-L626 HydrophobicContact CG-CD2 4.47Å; R438-S646 PolarHBondContact NH1-OG 3.3Å
439M94.7Very high91.6Very high1 Ų124.1 Ų24.11%0.00514%0.136CC..SBendtrans-77.7134.7178.5-69-72-86.900110.2L422 F425 V426 V431 W434 D436 T441 L626L422-M439 HydrophobicContact CB-CE 3.94Å; L422-M439 HydrophobicContact CD2-CE 3.99Å; L422-M439 HydrophobicContact CD2-SD 4.06Å; L422-M439 HydrophobicContact CG-CE 4.48Å; F425-M439 HydrophobicContact CB-SD 4.46Å; V426-M439 HydrophobicContact CG2-CE 3.96Å; V431-M439 HydrophobicContact CB-CG 4.36Å; V431-M439 HydrophobicContact CG1-CG 4.18Å; V431-M439 HydrophobicContact CG1-SD 4.1Å; V431-M439 HydrophobicContact CG2-CE 4.44Å; V431-M439 HydrophobicContact CG2-CG 4.25Å; V431-M439 HydrophobicContact CG2-SD 4.01Å; W434-M439 HydrophobicContact CD2-CE 4.45Å; W434-M439 HydrophobicContact CE3-CE 3.72Å; W434-M439 HydrophobicContact CZ3-CE 4.05Å; D436-M439 HydrophobicContact CB-CG 3.93Å; D436-M439 VanDerWaalsContact O-CB 3.31Å; D436-M439 WeakPolarHBondContact O-CB 3.19Å; D436-M439 PolarHBondContact O-N 2.8Å; M439-T441 HydrophobicContact CB-CG2 4.24Å; M439-T441 WeakPolarHBondContact CB-OG1 3Å; M439-T441 PolarHBondContact O-N 3.19Å; M439-L626 HydrophobicContact SD-CD1 3.99Å
440P94.7Very high92.4Very high3 Ų321.6 Ų21.62%0.01911%0.108CC..  trans-75.815.7177.534.6-38.2000112.8H195 I196 T415 L417 L422 W473H195-P440 CarbonylContact C-O 3.52Å; H195-P440 VanDerWaalsContact CA-O 3.24Å; H195-P440 WeakPolarHBondContact CA-O 3.49Å; H195-P440 VanDerWaalsContact CB-O 3.31Å; H195-P440 WeakPolarHBondContact CB-O 3.41Å; I196-P440 HydrophobicContact CG2-CB 4.4Å; I196-P440 PolarHBondContact N-O 3.29Å; T415-P440 HydrophobicContact CG2-CB 3.75Å; T415-P440 HydrophobicContact CG2-CG 3.84Å; L417-P440 HydrophobicContact CD2-CB 3.62Å; L417-P440 HydrophobicContact CD2-CG 3.73Å; L422-P440 HydrophobicContact CD1-CG 4.22Å; L422-P440 HydrophobicContact CD2-CG 3.78Å; P440-W473 HydrophobicContact CB-CH2 4.34Å; P440-W473 HydrophobicContact CB-CZ2 3.99Å
441T94.2Very high92.8Very high1 Ų120.6 Ų20.61%0.00610%0.104CC..BIsolated β-bridgetrans-69.3155.9175.851.30000110L194 W434 M439 S443 G444 I445L194-T441 CarbonylContact O-C 3.55Å; L194-T441 WeakPolarHBondContact O-CA 3.49Å; L194-T441 WeakPolarHBondContact O-CB 3.27Å; W434-T441 HydrophobicContact CE3-CG2 4.11Å; W434-T441 WeakPolarHBondContact O-CB 3.48Å; W434-T441 PolarHBondContact O-OG1 2.67Å; M439-T441 HydrophobicContact CB-CG2 4.24Å; M439-T441 WeakPolarHBondContact CB-OG1 3Å; M439-T441 PolarHBondContact O-N 3.19Å; T441-S443 VanDerWaalsContact C-N 3.33Å; T441-S443 PolarHBondContact O-N 2.95Å; T441-G444 PolarHBondContact O-N 3.28Å; T441-G444 WeakPolarHBondContact OG1-CA 3.47Å; T441-G444 PolarHBondContact OG1-N 2.75Å; T441-G444 VanDerWaalsContact OG1-N 3.09Å; T441-I445 WeakPolarHBondContact O-CG1 3.43Å; T441-I445 WeakPolarHBondContact O-CG2 3.1Å; T441-I445 PolarHBondContact O-N 3.19Å
442V93.2Very high92.7Very high0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-59.2-47.6175172.40000110.1L194 A199 D239 I243 G444 I445 L446L194-V442 HydrophobicContact CB-CB 4.34Å; L194-V442 HydrophobicContact CB-CG2 3.73Å; L194-V442 PolarHBondContact O-N 2.93Å; A199-V442 HydrophobicContact CB-CG2 4.11Å; D239-V442 HydrophobicContact CB-CB 4.27Å; D239-V442 HydrophobicContact CB-CG1 3.9Å; I243-V442 HydrophobicContact CG2-CG1 3.56Å; V442-G444 VanDerWaalsContact C-N 3.34Å; V442-G444 PolarHBondContact O-N 3.36Å; V442-I445 WeakPolarHBondContact O-CG1 3.45Å; V442-L446 HydrophobicContact CG1-CD1 3.81Å; V442-L446 HydrophobicContact CG1-CG 4.33Å; V442-L446 WeakPolarHBondContact O-CB 3.14Å; V442-L446 WeakPolarHBondContact O-CG 3.42Å; V442-L446 PolarHBondContact O-N 3.11Å; V442-L446 VanDerWaalsContact O-N 3.09Å
443S91.3Very high93.1Very high16 Ų1619.3 Ų19.311%0.11210%0.1CC..Hα-helixtrans-63.6-38.9178.6-34.40000112.4D239 T441 R447D239-S443 PolarHBondContact OD1-OG 3.2Å; D239-S443 PolarHBondContact OD2-OG 3.48Å; T441-S443 VanDerWaalsContact C-N 3.33Å; T441-S443 PolarHBondContact O-N 2.95Å; S443-R447 WeakPolarHBondContact O-CB 3.48Å; S443-R447 PolarHBondContact O-N 3.39Å
444G94.3Very high93.3Very high0 Ų018.8 Ų18.80%010%0.095CC..Hα-helixtrans-64.6-52.1178.300000113.1D436 T441 V442 L446 R447 H448D436-G444 WeakPolarHBondContact O-CA 3.23Å; T441-G444 PolarHBondContact O-N 3.28Å; T441-G444 WeakPolarHBondContact OG1-CA 3.47Å; T441-G444 PolarHBondContact OG1-N 2.75Å; T441-G444 VanDerWaalsContact OG1-N 3.09Å; V442-G444 VanDerWaalsContact C-N 3.34Å; V442-G444 PolarHBondContact O-N 3.36Å; G444-L446 VanDerWaalsContact C-N 3.32Å; G444-L446 PolarHBondContact O-N 2.89Å; G444-R447 PolarHBondContact O-N 3.11Å; G444-H448 PolarHBondContact O-N 3.33Å
445I95.5Very high93.5Very high2 Ų216.1 Ų16.11%0.019%0.085CC..Hα-helixtrans-65.1-35.9179.467.9-175.2000112.2I196 T441 V442 H448 G449 M450 L455 W473I196-I445 HydrophobicContact CB-CD1 4.5Å; I196-I445 HydrophobicContact CD1-CD1 4.4Å; I196-I445 HydrophobicContact CG1-CD1 4.42Å; T441-I445 WeakPolarHBondContact O-CG1 3.43Å; T441-I445 WeakPolarHBondContact O-CG2 3.1Å; T441-I445 PolarHBondContact O-N 3.19Å; V442-I445 WeakPolarHBondContact O-CG1 3.45Å; I445-H448 CarbonylContact O-C 3.59Å; I445-H448 WeakPolarHBondContact O-CB 3.36Å; I445-H448 PolarHBondContact O-N 2.82Å; I445-G449 PolarHBondContact O-N 2.84Å; I445-M450 HydrophobicContact CB-CB 4.05Å; I445-M450 HydrophobicContact CD1-CG 4.39Å; I445-M450 HydrophobicContact CG1-CB 4.17Å; I445-M450 HydrophobicContact CG1-CG 4.36Å; I445-M450 WeakPolarHBondContact O-CB 3.45Å; I445-M450 PolarHBondContact O-N 3.23Å; I445-L455 HydrophobicContact CD1-CD1 4.44Å; I445-L455 HydrophobicContact CD1-CD2 3.96Å; I445-W473 HydrophobicContact CG2-CH2 3.61Å; I445-W473 HydrophobicContact CG2-CZ3 3.91Å
446L94.3Very high93.4Very high20 Ų2017.2 Ų17.211%0.1058%0.083CC..Hα-helixtrans-65.8-40.6175.6-70.7178.6000111.1R242 I243 V442 G444 H448 G449 M450R242-L446 HydrophobicContact CB-CD1 3.88Å; I243-L446 HydrophobicContact CG2-CD1 4.16Å; I243-L446 HydrophobicContact CG2-CD2 4.39Å; V442-L446 HydrophobicContact CG1-CD1 3.81Å; V442-L446 HydrophobicContact CG1-CG 4.33Å; V442-L446 WeakPolarHBondContact O-CB 3.14Å; V442-L446 WeakPolarHBondContact O-CG 3.42Å; V442-L446 PolarHBondContact O-N 3.11Å; V442-L446 VanDerWaalsContact O-N 3.09Å; G444-L446 VanDerWaalsContact C-N 3.32Å; G444-L446 PolarHBondContact O-N 2.89Å; L446-H448 VanDerWaalsContact C-N 3.27Å; L446-H448 PolarHBondContact O-N 3.09Å; L446-G449 PolarHBondContact O-N 2.92Å; L446-M450 WeakPolarHBondContact CD2-O 3.41Å
447R95Very high93Very high56 Ų5619.2 Ų19.221%0.2119%0.093CC..Hα-helixtrans-65.6-31174.2-170.1-175.6174.6-162.1-9.7112.3D435 P437 S443 G444 G449 I676 D678 I697D435-R447 WeakPolarHBondContact O-CD 3.34Å; D435-R447 IonicContact OD2-NH1 3.34Å; P437-R447 HydrophobicContact CG-CG 4.31Å; S443-R447 WeakPolarHBondContact O-CB 3.48Å; S443-R447 PolarHBondContact O-N 3.39Å; G444-R447 PolarHBondContact O-N 3.11Å; R447-G449 PolarHBondContact O-N 2.6Å; R447-I676 WeakPolarHBondContact O-CG2 3.36Å; R447-D678 IonicContact CZ-OD1 3.13Å; R447-D678 IonicContact CZ-OD2 3.14Å; R447-D678 IonicContact NE-OD1 3.54Å; R447-D678 PolarHBondContact NE-OD1 2.93Å; R447-D678 IonicContact NE-OD2 3.55Å; R447-D678 PolarHBondContact NE-OD2 3.37Å; R447-D678 IonicContact NH2-OD1 2.71Å; R447-D678 IonicContact NH2-OD2 2.67Å; R447-D678 PolarHBondContact NH2-OD2 2.85Å; R447-I697 HydrophobicContact CG-CD1 4.36Å
448H96.7Very high92.7Very high14 Ų1419.1 Ų19.17%0.0659%0.092CC..THydrogen-bonded Turntrans-75.12172.5-155.3166.3000113.3P437 G444 I445 L446 W477 N698P437-H448 HydrophobicContact CB-CB 3.76Å; P437-H448 PolarHBondContact O-ND1 3.03Å; G444-H448 PolarHBondContact O-N 3.33Å; I445-H448 CarbonylContact O-C 3.59Å; I445-H448 WeakPolarHBondContact O-CB 3.36Å; I445-H448 PolarHBondContact O-N 2.82Å; L446-H448 VanDerWaalsContact C-N 3.27Å; L446-H448 PolarHBondContact O-N 3.09Å; H448-W477 HydrophobicContact CB-CH2 3.95Å; H448-W477 HydrophobicContact CB-CZ2 4.47Å; H448-W477 AromaticContact CG-CH2 3.84Å; H448-W477 AromaticContact ND1-CZ2 3.8Å; H448-N698 PolarHBondContact CD2-O 2.83Å; H448-N698 PolarHBondContact NE2-O 3.2Å
449G96.9Very high92.3Very high1 Ų117.6 Ų17.61%0.019%0.086CC..THydrogen-bonded Turntrans92.412.6175.700000115.1I445 L446 R447 T451 N480I445-G449 PolarHBondContact O-N 2.84Å; L446-G449 PolarHBondContact O-N 2.92Å; R447-G449 PolarHBondContact O-N 2.6Å; G449-T451 PolarHBondContact O-N 3.05Å; G449-N480 PolarHBondContact O-ND2 2.94Å
450M96.3Very high91.6Very high6 Ų618.8 Ų18.83%0.039%0.093CC..  trans-62.5125.5167.1-172.759.361.800109.7I445 L446 L455 I476 W477 N480I445-M450 HydrophobicContact CB-CB 4.05Å; I445-M450 HydrophobicContact CD1-CG 4.39Å; I445-M450 HydrophobicContact CG1-CB 4.17Å; I445-M450 HydrophobicContact CG1-CG 4.36Å; I445-M450 WeakPolarHBondContact O-CB 3.45Å; I445-M450 PolarHBondContact O-N 3.23Å; L446-M450 WeakPolarHBondContact CD2-O 3.41Å; M450-L455 HydrophobicContact CG-CB 3.94Å; M450-L455 HydrophobicContact SD-CB 4.16Å; M450-I476 HydrophobicContact CE-CB 4.3Å; M450-I476 HydrophobicContact CE-CG2 3.41Å; M450-I476 VanDerWaalsContact CE-CG2 3.41Å; M450-I476 HydrophobicContact SD-CG2 4.11Å; M450-W477 HydrophobicContact CB-CH2 4.37Å; M450-W477 HydrophobicContact CB-CZ3 4.24Å; M450-W477 HydrophobicContact CE-CD2 4.04Å; M450-W477 HydrophobicContact CE-CE3 3.6Å; M450-W477 HydrophobicContact CE-CH2 3.86Å; M450-W477 HydrophobicContact CE-CZ2 4.29Å; M450-W477 HydrophobicContact CE-CZ3 3.51Å; M450-N480 HydrophobicContact CE-CB 4.42Å; M450-N480 HydrophobicContact SD-CB 3.91Å
451T94.4Very high91Very high29 Ų2920.5 Ų20.518%0.17811%0.107CC..  trans-85.5148.1172.864.60000110.3G449 E453 G454 L455 N480 I484 I666G449-T451 PolarHBondContact O-N 3.05Å; T451-E453 PolarHBondContact O-N 3.11Å; T451-G454 PolarHBondContact O-N 3.12Å; T451-G454 PolarHBondContact OG1-N 3.21Å; T451-L455 PolarHBondContact O-N 3.28Å; T451-N480 WeakPolarHBondContact CB-OD1 3.47Å; T451-N480 WeakPolarHBondContact CG2-OD1 3.39Å; T451-N480 PolarHBondContact N-OD1 3.17Å; T451-N480 PolarHBondContact OG1-OD1 2.75Å; T451-I484 HydrophobicContact CG2-CG2 3.68Å; T451-I666 HydrophobicContact CG2-CD1 3.97Å
452A89.2Confident90.2Very high32 Ų3222.3 Ų22.326%0.26412%0.115SC..Hα-helixtrans-54.9-40.9174.200000111.4R242 R456R242-A452 WeakPolarHBondContact O-CB 3.34Å; A452-R456 VanDerWaalsContact O-CB 3.25Å; A452-R456 WeakPolarHBondContact O-CB 3.14Å; A452-R456 PolarHBondContact O-N 3.41Å
453E87.6Confident89.2Confident51 Ų5122.3 Ų22.324%0.23812%0.115CC..Hα-helixtrans-66.8-46.7177.7-170.759.1-14700112.5T451 L455 R456 Q457 I483T451-E453 PolarHBondContact O-N 3.11Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 3.06Å; E453-R456 PolarHBondContact O-N 2.98Å; E453-R456 IonicContact OE1-CZ 3.48Å; E453-R456 IonicContact OE1-NE 2.82Å; E453-R456 PolarHBondContact OE1-NE 3.38Å; E453-R456 IonicContact OE1-NH2 3.8Å; E453-R456 PolarHBondContact OE1-NH2 3.17Å; E453-R456 IonicContact OE2-CZ 3.98Å; E453-R456 IonicContact OE2-NE 2.66Å; E453-R456 PolarHBondContact OE2-NE 3.15Å; E453-R456 IonicContact OE2-NH1 3.2Å; E453-R456 IonicContact OE2-NH2 3.98Å; E453-R456 PolarHBondContact OE2-NH2 3.18Å; E453-Q457 HydrophobicContact CG-CG 4.24Å; E453-Q457 WeakPolarHBondContact O-CB 3.44Å; E453-Q457 VanDerWaalsContact O-CG 3.27Å; E453-Q457 WeakPolarHBondContact O-CG 3.19Å; E453-Q457 PolarHBondContact O-N 3.09Å; E453-Q457 WeakPolarHBondContact OE1-CG 3.42Å; E453-Q457 PolarHBondContact OE1-NE2 3.01Å; E453-I483 HydrophobicContact CB-CD1 4.49Å; E453-I483 HydrophobicContact CB-CG1 4.28Å; E453-I483 HydrophobicContact CB-CG2 4.1Å; E453-I483 HydrophobicContact CG-CD1 3.73Å; E453-I483 HydrophobicContact CG-CG1 4.04Å; E453-I483 HydrophobicContact CG-CG2 4.35Å
454G90.8Very high88.1Confident0 Ų022 Ų220%011%0.114CC..Hα-helixtrans-58.5-44.5178.200000111.8T451 F458T451-G454 PolarHBondContact O-N 3.12Å; T451-G454 PolarHBondContact OG1-N 3.21Å; G454-F458 WeakPolarHBondContact O-CB 3.28Å; G454-F458 PolarHBondContact O-N 3.01Å
455L91.1Very high87.1Confident0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-63.9-44.6175.2-179.859.6000112.1I196 A199 L203 I243 I445 M450 T451 E453 F458 I459I196-L455 HydrophobicContact CD1-CD1 3.97Å; I196-L455 HydrophobicContact CG1-CD1 4Å; A199-L455 HydrophobicContact CB-CD2 4.12Å; L203-L455 HydrophobicContact CD1-CD2 4.37Å; L203-L455 HydrophobicContact CD1-CG 4.16Å; I243-L455 HydrophobicContact CG2-CD2 4.12Å; I445-L455 HydrophobicContact CD1-CD1 4.44Å; I445-L455 HydrophobicContact CD1-CD2 3.96Å; M450-L455 HydrophobicContact CG-CB 3.94Å; M450-L455 HydrophobicContact SD-CB 4.16Å; T451-L455 PolarHBondContact O-N 3.28Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 3.06Å; L455-F458 PolarHBondContact O-N 2.93Å; L455-I459 HydrophobicContact CD1-CD1 3.8Å; L455-I459 HydrophobicContact CD1-CG1 4.45Å; L455-I459 HydrophobicContact CG-CD1 3.91Å; L455-I459 PolarHBondContact O-N 2.96Å
456R86.9Confident85.8Confident95 Ų9531 Ų3136%0.35815%0.152SC..Hα-helixtrans-59.7-51177.2-176177.476.7178.710.1110.9L203 A452 E453 F458 I459 L460L203-R456 HydrophobicContact CD2-CB 4.45Å; L203-R456 HydrophobicContact CD2-CG 4.3Å; A452-R456 VanDerWaalsContact O-CB 3.25Å; A452-R456 WeakPolarHBondContact O-CB 3.14Å; A452-R456 PolarHBondContact O-N 3.41Å; E453-R456 PolarHBondContact O-N 2.98Å; E453-R456 IonicContact OE1-CZ 3.48Å; E453-R456 IonicContact OE1-NE 2.82Å; E453-R456 PolarHBondContact OE1-NE 3.38Å; E453-R456 IonicContact OE1-NH2 3.8Å; E453-R456 PolarHBondContact OE1-NH2 3.17Å; E453-R456 IonicContact OE2-CZ 3.98Å; E453-R456 IonicContact OE2-NE 2.66Å; E453-R456 PolarHBondContact OE2-NE 3.15Å; E453-R456 IonicContact OE2-NH1 3.2Å; E453-R456 IonicContact OE2-NH2 3.98Å; E453-R456 PolarHBondContact OE2-NH2 3.18Å; R456-F458 VanDerWaalsContact C-N 3.32Å; R456-F458 PolarHBondContact O-N 2.95Å; R456-I459 PolarHBondContact O-N 3.35Å; R456-L460 HydrophobicContact CG-CD1 3.89Å; R456-L460 HydrophobicContact CG-CG 4.2Å; R456-L460 WeakPolarHBondContact O-CB 3.32Å; R456-L460 VanDerWaalsContact O-CG 3.25Å; R456-L460 WeakPolarHBondContact O-CG 3.47Å; R456-L460 PolarHBondContact O-N 3.4Å
457Q87Confident84.6Confident42 Ų4233.9 Ų33.920%0.19617%0.174CC..Hα-helixtrans-59.2-42.7179-69.3-67.1-22.200111.7E453 L460 A461 F479E453-Q457 HydrophobicContact CG-CG 4.24Å; E453-Q457 WeakPolarHBondContact O-CB 3.44Å; E453-Q457 VanDerWaalsContact O-CG 3.27Å; E453-Q457 WeakPolarHBondContact O-CG 3.19Å; E453-Q457 PolarHBondContact O-N 3.09Å; E453-Q457 WeakPolarHBondContact OE1-CG 3.42Å; E453-Q457 PolarHBondContact OE1-NE2 3.01Å; Q457-L460 PolarHBondContact O-N 2.83Å; Q457-A461 WeakPolarHBondContact O-CB 3.3Å; Q457-A461 PolarHBondContact O-N 3.09Å; Q457-F479 HydrophobicContact CB-CD1 3.83Å; Q457-F479 HydrophobicContact CB-CE1 4.42Å
458F88.7Confident83.2Confident1 Ų135.7 Ų35.70%0.00420%0.195CC..Hα-helixtrans-59.3-48.8174.3169.3-105.7000112.1L410 G454 L455 R456 L460 A461 Q462 M471 I476 F479L410-F458 HydrophobicContact CD1-CE1 4.26Å; L410-F458 HydrophobicContact CD1-CZ 4.22Å; L410-F458 HydrophobicContact CD2-CE1 4.37Å; G454-F458 WeakPolarHBondContact O-CB 3.28Å; G454-F458 PolarHBondContact O-N 3.01Å; L455-F458 PolarHBondContact O-N 2.93Å; R456-F458 VanDerWaalsContact C-N 3.32Å; R456-F458 PolarHBondContact O-N 2.95Å; F458-L460 PolarHBondContact O-N 3.26Å; F458-A461 PolarHBondContact O-N 3.23Å; F458-Q462 HydrophobicContact CE1-CG 4.45Å; F458-Q462 HydrophobicContact CE2-CG 4.24Å; F458-Q462 HydrophobicContact CZ-CG 4.09Å; F458-Q462 WeakPolarHBondContact O-CG 3.45Å; F458-Q462 PolarHBondContact O-N 3.43Å; F458-Q462 VanDerWaalsContact O-N 3.16Å; F458-M471 HydrophobicContact CZ-CG 4.49Å; F458-I476 HydrophobicContact CB-CG2 4.29Å; F458-I476 HydrophobicContact CD1-CD1 4.19Å; F458-I476 HydrophobicContact CD1-CG1 4.04Å; F458-I476 HydrophobicContact CD1-CG2 4.01Å; F458-I476 HydrophobicContact CD2-CB 4.41Å; F458-I476 HydrophobicContact CD2-CG1 4Å; F458-I476 HydrophobicContact CE1-CD1 3.71Å; F458-I476 HydrophobicContact CE1-CG1 3.79Å; F458-I476 HydrophobicContact CE2-CD1 4.49Å; F458-I476 HydrophobicContact CE2-CG1 3.75Å; F458-I476 HydrophobicContact CG-CB 4.37Å; F458-I476 HydrophobicContact CG-CG1 4.14Å; F458-I476 HydrophobicContact CG-CG2 4Å; F458-I476 HydrophobicContact CZ-CD1 3.89Å; F458-I476 HydrophobicContact CZ-CG1 3.64Å; F458-F479 HydrophobicContact CB-CB 4.23Å; F458-F479 HydrophobicContact CB-CD2 4.06Å; F458-F479 HydrophobicContact CB-CG 4.1Å; F458-F479 AromaticContact CD2-CD2 3.96Å; F458-F479 HydrophobicContact CD2-CD2 3.96Å; F458-F479 HydrophobicContact CD2-CE2 4.16Å
459I85Confident81.7Confident0 Ų036.8 Ų36.80%021%0.206CC..Hα-helixtrans-64.2-41.4179.5-75.4159.9000111.2K200 L203 L204 L455 R456 A461 Q462 G463K200-I459 HydrophobicContact CB-CD1 4.24Å; K200-I459 HydrophobicContact CB-CG1 4.21Å; K200-I459 HydrophobicContact CG-CG1 4.41Å; K200-I459 HydrophobicContact CG-CG2 4.11Å; L203-I459 HydrophobicContact CB-CD1 4.21Å; L203-I459 HydrophobicContact CB-CG2 4.07Å; L203-I459 HydrophobicContact CD1-CD1 3.32Å; L203-I459 HydrophobicContact CG-CD1 4.35Å; L204-I459 HydrophobicContact CD2-CG2 4.35Å; L204-I459 HydrophobicContact CG-CG2 4.14Å; L455-I459 HydrophobicContact CD1-CD1 3.8Å; L455-I459 HydrophobicContact CD1-CG1 4.45Å; L455-I459 HydrophobicContact CG-CD1 3.91Å; L455-I459 PolarHBondContact O-N 2.96Å; R456-I459 PolarHBondContact O-N 3.35Å; I459-A461 VanDerWaalsContact C-N 3.32Å; I459-A461 PolarHBondContact O-N 2.9Å; I459-Q462 WeakPolarHBondContact O-CB 3.35Å; I459-Q462 PolarHBondContact O-N 2.78Å; I459-G463 PolarHBondContact O-N 2.92Å; I459-G463 VanDerWaalsContact O-N 3.11Å
460L80.3Confident81Confident26 Ų2640 Ų4014%0.13622%0.223CC..Hα-helixtrans-66.4-35177.6-66.9-179.6000112G169 F171 H207 R456 Q457 F458 Q462 G463G169-L460 WeakPolarHBondContact CA-O 3.44Å; G169-L460 PolarHBondContact N-O 3.19Å; F171-L460 HydrophobicContact CE1-CD2 4.07Å; F171-L460 WeakPolarHBondContact CE2-O 3.21Å; F171-L460 HydrophobicContact CZ-CB 4.01Å; F171-L460 HydrophobicContact CZ-CD2 3.63Å; F171-L460 HydrophobicContact CZ-CG 4.42Å; F171-L460 WeakPolarHBondContact CZ-O 3.38Å; H207-L460 HydrophobicContact CB-CD2 3.78Å; H207-L460 VanDerWaalsContact CG-CD2 3.41Å; H207-L460 VanDerWaalsContact ND1-CD2 3.31Å; H207-L460 WeakPolarHBondContact ND1-CD2 3.43Å; R456-L460 HydrophobicContact CG-CD1 3.89Å; R456-L460 HydrophobicContact CG-CG 4.2Å; R456-L460 WeakPolarHBondContact O-CB 3.32Å; R456-L460 VanDerWaalsContact O-CG 3.25Å; R456-L460 WeakPolarHBondContact O-CG 3.47Å; R456-L460 PolarHBondContact O-N 3.4Å; Q457-L460 PolarHBondContact O-N 2.83Å; F458-L460 PolarHBondContact O-N 3.26Å; L460-Q462 VanDerWaalsContact C-N 3.29Å; L460-Q462 PolarHBondContact O-N 3.38Å; L460-G463 PolarHBondContact O-N 2.79Å; L460-G463 VanDerWaalsContact O-N 3.16Å
461A81.6Confident80.4Confident39 Ų3941 Ų4132%0.32223%0.228SC..Hα-helixtrans-65.6-31.3173.700000112.7G169 Q457 F458 I459 F479G169-A461 WeakPolarHBondContact CA-O 3.42Å; Q457-A461 WeakPolarHBondContact O-CB 3.3Å; Q457-A461 PolarHBondContact O-N 3.09Å; F458-A461 PolarHBondContact O-N 3.23Å; I459-A461 VanDerWaalsContact C-N 3.32Å; I459-A461 PolarHBondContact O-N 2.9Å; A461-F479 HydrophobicContact CB-CE1 3.96Å; A461-F479 HydrophobicContact CB-CE2 4.37Å; A461-F479 HydrophobicContact CB-CZ 3.54Å
462Q77Confident80Confident38 Ų3842.1 Ų42.118%0.17823%0.231CC..Hα-helixtrans-70.8-33.6171.7-64.4-67.9-64.900112F458 I459 L460F458-Q462 HydrophobicContact CE1-CG 4.45Å; F458-Q462 HydrophobicContact CE2-CG 4.24Å; F458-Q462 HydrophobicContact CZ-CG 4.09Å; F458-Q462 WeakPolarHBondContact O-CG 3.45Å; F458-Q462 PolarHBondContact O-N 3.43Å; F458-Q462 VanDerWaalsContact O-N 3.16Å; I459-Q462 WeakPolarHBondContact O-CB 3.35Å; I459-Q462 PolarHBondContact O-N 2.78Å; L460-Q462 VanDerWaalsContact C-N 3.29Å; L460-Q462 PolarHBondContact O-N 3.38Å
463G72.4Confident80.1Confident0 Ų041.9 Ų41.90%022%0.223CC..THydrogen-bonded Turntrans59.8-158.5-179.500000113.6I459 L460 S465I459-G463 PolarHBondContact O-N 2.92Å; I459-G463 VanDerWaalsContact O-N 3.11Å; L460-G463 PolarHBondContact O-N 2.79Å; L460-G463 VanDerWaalsContact O-N 3.16Å; G463-S465 PolarHBondContact O-N 2.73Å
464S69.3Low80.2Confident11 Ų1141.9 Ų41.98%0.07723%0.225CC..THydrogen-bonded Turntrans-91.325.1178.8-50.30000112.3K170 Y208 R466K170-S464 PolarHBondContact O-N 3.48Å; Y208-S464 VanDerWaalsContact CE2-OG 3.29Å; Y208-S464 WeakPolarHBondContact CE2-OG 3.45Å; Y208-S464 WeakPolarHBondContact OH-CB 3.41Å; Y208-S464 PolarHBondContact OH-OG 3.05Å; S464-R466 PolarHBondContact O-N 3.32Å
465S73Confident80Confident32 Ų3246 Ų4622%0.22424%0.243CC..  trans-57.5138.8-179.8-173.90000110.9S408 G463 S467S408-S465 WeakPolarHBondContact CB-O 3.45Å; S408-S465 PolarHBondContact N-O 3.27Å; S408-S465 PolarHBondContact OG-O 2.68Å; G463-S465 PolarHBondContact O-N 2.73Å; S465-S467 PolarHBondContact OG-N 2.66Å; S465-S467 PolarHBondContact OG-OG 3.2Å
466R68.3Low80Confident159 Ų15946 Ų4660%0.624%0.243SC*.  trans-83.6-13.7172.9-67.3-178.4-179-179.8-1.4113.1D406 S464 S468D406-R466 HydrophobicContact CB-CG 4.43Å; D406-R466 WeakPolarHBondContact O-CG 3.41Å; S464-R466 PolarHBondContact O-N 3.32Å; R466-S468 PolarHBondContact O-N 3.34Å
467S68.5Low80.4Confident79 Ų7942 Ų4255%0.55223%0.228SC*.SBendtrans-71.2118.6176.859.40000110.3S408 S465 A469S408-S467 WeakPolarHBondContact CB-O 3.41Å; S408-S467 PolarHBondContact OG-O 3.14Å; S465-S467 PolarHBondContact OG-N 2.66Å; S465-S467 PolarHBondContact OG-OG 3.2Å; S467-A469 PolarHBondContact O-N 2.8Å
468S66.1Low80.7Confident95 Ų9541.5 Ų41.566%0.66423%0.229SC*.  trans-70.6118.3169.755.80000109.1R466R466-S468 PolarHBondContact O-N 3.34Å
469A66.1Low80.8Confident36 Ų3643.2 Ų43.230%0.29824%0.237SC..  trans-114.8130.5171.900000108.6S467 M471S467-A469 PolarHBondContact O-N 2.8Å; A469-M471 HydrophobicContact CB-CE 3.74Å; A469-M471 HydrophobicContact CB-SD 4.36Å
470L81.4Confident81.3Confident68 Ų6843.2 Ų43.236%0.35624%0.237SC..EExtended strand (participates in β ladder)trans-77.9118167.8175.669.2000107.6A411 Q413 I631A411-L470 HydrophobicContact CB-CD1 3.93Å; Q413-L470 HydrophobicContact CG-CD1 4.09Å; Q413-L470 HydrophobicContact CG-CD2 3.9Å; Q413-L470 HydrophobicContact CG-CG 3.82Å; L470-I631 HydrophobicContact CD2-CD1 3.22Å; L470-I631 HydrophobicContact CD2-CG1 3.49Å; L470-I631 VanDerWaalsContact CD2-CG1 3.49Å
471M83.1Confident82Confident29 Ų2944.7 Ų44.714%0.14324%0.242CC..EExtended strand (participates in β ladder)trans-107.2160.1-174.2-63.5-768100111.9L410 A411 L412 Q413 F458 A469 K475L410-M471 HydrophobicContact CD1-CG 4.37Å; A411-M471 PolarHBondContact O-N 3.05Å; L412-M471 CarbonylContact C-O 3.56Å; L412-M471 VanDerWaalsContact CA-O 3.29Å; L412-M471 WeakPolarHBondContact CA-O 3.2Å; L412-M471 HydrophobicContact CD2-CB 3.88Å; Q413-M471 PolarHBondContact N-O 3.43Å; F458-M471 HydrophobicContact CZ-CG 4.49Å; A469-M471 HydrophobicContact CB-CE 3.74Å; A469-M471 HydrophobicContact CB-SD 4.36Å; M471-K475 HydrophobicContact SD-CD 4.33Å
472E85.8Confident82.5Confident51 Ų5147.3 Ų47.324%0.23825%0.246CC..  trans-106.4149176.6-72.3169.5-16900110.4Q413 D474 K475 P1293Q413-E472 HydrophobicContact CB-CG 4.37Å; Q413-E472 HydrophobicContact CG-CG 3.97Å; Q413-E472 VanDerWaalsContact NE2-CG 3.3Å; Q413-E472 PolarHBondContact NE2-OE1 2.83Å; Q413-E472 PolarHBondContact OE1-OE1 3.41Å; E472-D474 PolarHBondContact O-N 3.47Å; E472-K475 PolarHBondContact O-N 2.76Å; E472-P1293 WeakPolarHBondContact OE1-CB 3.45Å; E472-P1293 WeakPolarHBondContact OE2-CB 3.37Å; E472-P1293 WeakPolarHBondContact OE2-CG 3.4Å
473W91.1Very high83.2Confident27 Ų2747.7 Ų47.710%0.10225%0.249CC..Hα-helixtrans-59.5-37.6176.3-82.3108.8000111.9I196 L412 T415 P440 I445 K475 I476 W477I196-W473 HydrophobicContact CD1-CH2 4Å; I196-W473 HydrophobicContact CD1-CZ3 4.02Å; L412-W473 HydrophobicContact CD1-CD2 4.43Å; L412-W473 HydrophobicContact CD1-CH2 3.97Å; L412-W473 HydrophobicContact CD1-CZ2 3.56Å; T415-W473 HydrophobicContact CG2-CZ2 4.38Å; T415-W473 PolarHBondContact OG1-NE1 3.37Å; P440-W473 HydrophobicContact CB-CH2 4.34Å; P440-W473 HydrophobicContact CB-CZ2 3.99Å; I445-W473 HydrophobicContact CG2-CH2 3.61Å; I445-W473 HydrophobicContact CG2-CZ3 3.91Å; W473-K475 PolarHBondContact O-N 2.99Å; W473-I476 HydrophobicContact CD2-CD1 4.49Å; W473-I476 HydrophobicContact CE3-CD1 3.86Å; W473-I476 HydrophobicContact CZ3-CD1 4.01Å; W473-I476 WeakPolarHBondContact O-CA 3.26Å; W473-I476 WeakPolarHBondContact O-CB 3.43Å; W473-I476 PolarHBondContact O-N 3.34Å; W473-W477 VanDerWaalsContact C-CD1 3.43Å; W473-W477 HydrophobicContact CE3-CZ2 4.45Å; W473-W477 AromaticContact CE3-NE1 3.93Å; W473-W477 PolarHBondContact O-N 3.03Å
474D90.2Very high84.3Confident52 Ų5248 Ų4828%0.27825%0.25SS..Hα-helixtrans-54.9-37.9179.8-66.5-8.9000112.3E472 I476 W477 S478 G702E472-D474 PolarHBondContact O-N 3.47Å; D474-I476 PolarHBondContact O-N 3.03Å; D474-W477 PolarHBondContact O-N 3.13Å; D474-S478 WeakPolarHBondContact O-CB 3.27Å; D474-S478 PolarHBondContact O-N 3.27Å; D474-G702 WeakPolarHBondContact O-CA 2.99Å
475K88.1Confident85.4Confident87 Ų8750.8 Ų50.838%0.37826%0.262SS..Hα-helixtrans-63.4-43.8176.3-155.9160.4-167.2149.90110.7M471 E472 W473 S478 F479 D849M471-K475 HydrophobicContact SD-CD 4.33Å; E472-K475 PolarHBondContact O-N 2.76Å; W473-K475 PolarHBondContact O-N 2.99Å; K475-S478 PolarHBondContact O-N 3.5Å; K475-S478 PolarHBondContact O-OG 3.13Å; K475-F479 VanDerWaalsContact O-CD2 3.3Å; K475-F479 WeakPolarHBondContact O-CD2 3.23Å; K475-F479 PolarHBondContact O-N 3.06Å; K475-D849 IonicContact NZ-OD2 2.7Å
476I90.9Very high86.3Confident0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-64.1-45176.6-44.3-172.5000110.6I196 L412 M450 F458 W473 D474 S478 F479 N480I196-I476 HydrophobicContact CD1-CD1 3.63Å; L412-I476 HydrophobicContact CD1-CD1 4.28Å; L412-I476 HydrophobicContact CD2-CD1 3.77Å; M450-I476 HydrophobicContact CE-CB 4.3Å; M450-I476 HydrophobicContact CE-CG2 3.41Å; M450-I476 VanDerWaalsContact CE-CG2 3.41Å; M450-I476 HydrophobicContact SD-CG2 4.11Å; F458-I476 HydrophobicContact CB-CG2 4.29Å; F458-I476 HydrophobicContact CD1-CD1 4.19Å; F458-I476 HydrophobicContact CD1-CG1 4.04Å; F458-I476 HydrophobicContact CD1-CG2 4.01Å; F458-I476 HydrophobicContact CD2-CB 4.41Å; F458-I476 HydrophobicContact CD2-CG1 4Å; F458-I476 HydrophobicContact CE1-CD1 3.71Å; F458-I476 HydrophobicContact CE1-CG1 3.79Å; F458-I476 HydrophobicContact CE2-CD1 4.49Å; F458-I476 HydrophobicContact CE2-CG1 3.75Å; F458-I476 HydrophobicContact CG-CB 4.37Å; F458-I476 HydrophobicContact CG-CG1 4.14Å; F458-I476 HydrophobicContact CG-CG2 4Å; F458-I476 HydrophobicContact CZ-CD1 3.89Å; F458-I476 HydrophobicContact CZ-CG1 3.64Å; W473-I476 HydrophobicContact CD2-CD1 4.49Å; W473-I476 HydrophobicContact CE3-CD1 3.86Å; W473-I476 HydrophobicContact CZ3-CD1 4.01Å; W473-I476 WeakPolarHBondContact O-CA 3.26Å; W473-I476 WeakPolarHBondContact O-CB 3.43Å; W473-I476 PolarHBondContact O-N 3.34Å; D474-I476 PolarHBondContact O-N 3.03Å; I476-S478 VanDerWaalsContact C-N 3.31Å; I476-S478 PolarHBondContact O-N 2.83Å; I476-F479 WeakPolarHBondContact O-CB 3.2Å; I476-F479 PolarHBondContact O-N 2.79Å; I476-F479 VanDerWaalsContact O-N 3.17Å; I476-N480 PolarHBondContact O-N 2.99Å; I476-N480 VanDerWaalsContact O-N 3.12Å
477W95.2Very high87.4Confident10 Ų1045.6 Ų45.64%0.03825%0.247CC..Hα-helixtrans-63.8-34.5178.7-68.6127.4000112.9H448 M450 W473 D474 F479 N480 K481 I699 P700H448-W477 HydrophobicContact CB-CH2 3.95Å; H448-W477 HydrophobicContact CB-CZ2 4.47Å; H448-W477 AromaticContact CG-CH2 3.84Å; H448-W477 AromaticContact ND1-CZ2 3.8Å; M450-W477 HydrophobicContact CB-CH2 4.37Å; M450-W477 HydrophobicContact CB-CZ3 4.24Å; M450-W477 HydrophobicContact CE-CD2 4.04Å; M450-W477 HydrophobicContact CE-CE3 3.6Å; M450-W477 HydrophobicContact CE-CH2 3.86Å; M450-W477 HydrophobicContact CE-CZ2 4.29Å; M450-W477 HydrophobicContact CE-CZ3 3.51Å; W473-W477 VanDerWaalsContact C-CD1 3.43Å; W473-W477 HydrophobicContact CE3-CZ2 4.45Å; W473-W477 AromaticContact CE3-NE1 3.93Å; W473-W477 PolarHBondContact O-N 3.03Å; D474-W477 PolarHBondContact O-N 3.13Å; W477-F479 VanDerWaalsContact C-N 3.33Å; W477-F479 PolarHBondContact O-N 3.25Å; W477-N480 HydrophobicContact CE3-CB 4.28Å; W477-N480 CarbonylContact O-C 3.51Å; W477-N480 WeakPolarHBondContact O-CB 3.44Å; W477-N480 PolarHBondContact O-N 3.21Å; W477-N480 VanDerWaalsContact O-N 3.13Å; W477-K481 PolarHBondContact O-N 3.01Å; W477-I699 HydrophobicContact CE3-CG2 4Å; W477-I699 HydrophobicContact CZ3-CG2 3.83Å; W477-P700 HydrophobicContact CB-CB 4.14Å; W477-P700 WeakPolarHBondContact CB-O 3.44Å; W477-P700 HydrophobicContact CD2-CB 3.95Å; W477-P700 HydrophobicContact CD2-CG 4.02Å; W477-P700 HydrophobicContact CG-CB 3.66Å; W477-P700 HydrophobicContact CG-CG 4.19Å; W477-P700 HydrophobicContact CZ2-CG 4.25Å
478S92.3Very high88.6Confident32 Ų3241.9 Ų41.922%0.22422%0.222CC..Hα-helixtrans-63.9-35.2174.280.60000113D474 K475 I476 K482D474-S478 WeakPolarHBondContact O-CB 3.27Å; D474-S478 PolarHBondContact O-N 3.27Å; K475-S478 PolarHBondContact O-N 3.5Å; K475-S478 PolarHBondContact O-OG 3.13Å; I476-S478 VanDerWaalsContact C-N 3.31Å; I476-S478 PolarHBondContact O-N 2.83Å; S478-K482 WeakPolarHBondContact O-CG 3.42Å; S478-K482 PolarHBondContact O-N 3.04Å
479F91.7Very high90Very high37 Ų3739.6 Ų39.616%0.16221%0.205CC..Hα-helixtrans-66.9-43.1171.8-83.9-86.7000110.4Q457 F458 A461 K475 I476 W477 K482Q457-F479 HydrophobicContact CB-CD1 3.83Å; Q457-F479 HydrophobicContact CB-CE1 4.42Å; F458-F479 HydrophobicContact CB-CB 4.23Å; F458-F479 HydrophobicContact CB-CD2 4.06Å; F458-F479 HydrophobicContact CB-CG 4.1Å; F458-F479 AromaticContact CD2-CD2 3.96Å; F458-F479 HydrophobicContact CD2-CD2 3.96Å; F458-F479 HydrophobicContact CD2-CE2 4.16Å; A461-F479 HydrophobicContact CB-CE1 3.96Å; A461-F479 HydrophobicContact CB-CE2 4.37Å; A461-F479 HydrophobicContact CB-CZ 3.54Å; K475-F479 VanDerWaalsContact O-CD2 3.3Å; K475-F479 WeakPolarHBondContact O-CD2 3.23Å; K475-F479 PolarHBondContact O-N 3.06Å; I476-F479 WeakPolarHBondContact O-CB 3.2Å; I476-F479 PolarHBondContact O-N 2.79Å; I476-F479 VanDerWaalsContact O-N 3.17Å; W477-F479 VanDerWaalsContact C-N 3.33Å; W477-F479 PolarHBondContact O-N 3.25Å; F479-K482 PolarHBondContact O-N 2.86Å
480N95.5Very high91.3Very high0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-62.4-43.7177.2-161.747.8000112.2G449 M450 T451 I476 W477 K482 I483 I484G449-N480 PolarHBondContact O-ND2 2.94Å; M450-N480 HydrophobicContact CE-CB 4.42Å; M450-N480 HydrophobicContact SD-CB 3.91Å; T451-N480 WeakPolarHBondContact CB-OD1 3.47Å; T451-N480 WeakPolarHBondContact CG2-OD1 3.39Å; T451-N480 PolarHBondContact N-OD1 3.17Å; T451-N480 PolarHBondContact OG1-OD1 2.75Å; I476-N480 PolarHBondContact O-N 2.99Å; I476-N480 VanDerWaalsContact O-N 3.12Å; W477-N480 HydrophobicContact CE3-CB 4.28Å; W477-N480 CarbonylContact O-C 3.51Å; W477-N480 WeakPolarHBondContact O-CB 3.44Å; W477-N480 PolarHBondContact O-N 3.21Å; W477-N480 VanDerWaalsContact O-N 3.13Å; N480-K482 VanDerWaalsContact C-N 3.29Å; N480-K482 PolarHBondContact O-N 2.51Å; N480-I483 WeakPolarHBondContact O-CB 3.44Å; N480-I483 PolarHBondContact O-N 3.09Å; N480-I484 PolarHBondContact O-N 3.45Å
481K95Very high91.9Very high56 Ų5637 Ų3724%0.24318%0.183CC..Hα-helixtrans-52.7-45175.8-177.6-179.4-178.6165.90112.1W477 I483 I484 E485 F674 D701W477-K481 PolarHBondContact O-N 3.01Å; K481-I483 PolarHBondContact O-N 2.67Å; K481-I484 WeakPolarHBondContact O-CG1 3.48Å; K481-I484 PolarHBondContact O-N 2.74Å; K481-E485 HydrophobicContact CG-CB 4.46Å; K481-E485 VanDerWaalsContact O-CB 3.27Å; K481-E485 WeakPolarHBondContact O-CB 3.44Å; K481-E485 PolarHBondContact O-N 3.12Å; K481-F674 HydrophobicContact CD-CE2 4.49Å; K481-F674 HydrophobicContact CG-CE2 4.1Å; K481-D701 HydrophobicContact CD-CB 3.88Å; K481-D701 VanDerWaalsContact CD-O 3.23Å; K481-D701 WeakPolarHBondContact CD-O 3.39Å; K481-D701 IonicContact NZ-OD2 3.96Å; K481-D701 PolarHBondContact NZ-OD2 3.32Å
482K91Very high92.4Very high95 Ų9536.1 Ų36.141%0.41318%0.179SC..Hα-helixtrans-61.6-26.8179.7-70169.8-174.9174.70113F165 S478 F479 N480 P486F165-K482 HydrophobicContact CZ-CD 4.45Å; S478-K482 WeakPolarHBondContact O-CG 3.42Å; S478-K482 PolarHBondContact O-N 3.04Å; F479-K482 PolarHBondContact O-N 2.86Å; N480-K482 VanDerWaalsContact C-N 3.29Å; N480-K482 PolarHBondContact O-N 2.51Å; K482-P486 WeakPolarHBondContact O-CD 3.27Å
483I92.2Very high92.9Very high46 Ų4633.7 Ų33.724%0.23617%0.168CC..Hα-helixtrans-83-41.9176.4-56.1-51.7000111.1E453 N480 K481 V487E453-I483 HydrophobicContact CB-CD1 4.49Å; E453-I483 HydrophobicContact CB-CG1 4.28Å; E453-I483 HydrophobicContact CB-CG2 4.1Å; E453-I483 HydrophobicContact CG-CD1 3.73Å; E453-I483 HydrophobicContact CG-CG1 4.04Å; E453-I483 HydrophobicContact CG-CG2 4.35Å; N480-I483 WeakPolarHBondContact O-CB 3.44Å; N480-I483 PolarHBondContact O-N 3.09Å; K481-I483 PolarHBondContact O-N 2.67Å; I483-V487 WeakPolarHBondContact O-CG2 3.29Å
484I94.6Very high93.2Very high5 Ų532.4 Ų32.43%0.02616%0.163CC..Hα-helixtrans-83-37.9-174.466-176.7000113.4T451 N480 K481 P486 V487 A488 I666 F674 I699T451-I484 HydrophobicContact CG2-CG2 3.68Å; N480-I484 PolarHBondContact O-N 3.45Å; K481-I484 WeakPolarHBondContact O-CG1 3.48Å; K481-I484 PolarHBondContact O-N 2.74Å; I484-P486 VanDerWaalsContact C-CD 3.49Å; I484-V487 WeakPolarHBondContact O-CG2 3.29Å; I484-V487 PolarHBondContact O-N 2.84Å; I484-V487 VanDerWaalsContact O-N 3.1Å; I484-A488 VanDerWaalsContact O-CB 3.28Å; I484-A488 WeakPolarHBondContact O-CB 3.49Å; I484-A488 PolarHBondContact O-N 3.4Å; I484-I666 HydrophobicContact CB-CG2 4.25Å; I484-I666 HydrophobicContact CG2-CD1 3.96Å; I484-I666 HydrophobicContact CG2-CG2 4.3Å; I484-F674 HydrophobicContact CD1-CB 3.83Å; I484-F674 HydrophobicContact CD1-CD1 4.03Å; I484-F674 HydrophobicContact CD1-CD2 4.11Å; I484-F674 HydrophobicContact CD1-CG 3.71Å; I484-F674 HydrophobicContact CG1-CD1 4.18Å; I484-F674 HydrophobicContact CG1-CE1 4.42Å; I484-F674 HydrophobicContact CG1-CG 4.3Å; I484-I699 HydrophobicContact CD1-CD1 4.39Å; I484-I699 HydrophobicContact CD1-CG2 4.2Å
485E93.2Very high93.5Very high71 Ų7131.9 Ų31.933%0.33216%0.16SC..THydrogen-bonded Turntrans-55.7-43-174177.7180-167.200113.5K481 V487 H529 F674K481-E485 HydrophobicContact CG-CB 4.46Å; K481-E485 VanDerWaalsContact O-CB 3.27Å; K481-E485 WeakPolarHBondContact O-CB 3.44Å; K481-E485 PolarHBondContact O-N 3.12Å; E485-V487 PolarHBondContact O-N 3.46Å; E485-H529 PolarHBondContact O-NE2 3.26Å; E485-F674 HydrophobicContact CB-CE1 4.3Å; E485-F674 HydrophobicContact CB-CZ 3.83Å; E485-F674 HydrophobicContact CG-CZ 4.05Å
486P92.4Very high93.7Very high42 Ų4230.2 Ų30.227%0.27316%0.155SC..THydrogen-bonded Turntrans-70.4-16.3-178.4-19.633.8000114.6M163 K482 I484 N532M163-P486 HydrophobicContact CE-CG 4.08Å; K482-P486 WeakPolarHBondContact O-CD 3.27Å; I484-P486 VanDerWaalsContact C-CD 3.49Å; P486-N532 WeakPolarHBondContact O-CB 3.35Å; P486-N532 PolarHBondContact O-ND2 2.83Å
487V91.8Very high93.4Very high39 Ų3933.3 Ų33.324%0.23617%0.171CC..THydrogen-bonded Turntrans-125-12.5-169.6-60.40000114.4I483 I484 E485 P489 L535I483-V487 WeakPolarHBondContact O-CG2 3.29Å; I484-V487 WeakPolarHBondContact O-CG2 3.29Å; I484-V487 PolarHBondContact O-N 2.84Å; I484-V487 VanDerWaalsContact O-N 3.1Å; E485-V487 PolarHBondContact O-N 3.46Å; V487-P489 WeakPolarHBondContact O-CD 3.07Å; V487-L535 VanDerWaalsContact O-CD1 3.24Å; V487-L535 WeakPolarHBondContact O-CD1 3.5Å
488A93.8Very high92.6Very high2 Ų238.2 Ų38.22%0.01721%0.207CC..  trans-70.6121.8-178.700000111.7I484 H529 Q668 F674I484-A488 VanDerWaalsContact O-CB 3.28Å; I484-A488 WeakPolarHBondContact O-CB 3.49Å; I484-A488 PolarHBondContact O-N 3.4Å; A488-H529 PolarHBondContact O-CD2 3.36Å; A488-H529 VanDerWaalsContact O-CD2 3.28Å; A488-Q668 HydrophobicContact CB-CB 4.49Å; A488-F674 HydrophobicContact CB-CD1 4.04Å; A488-F674 HydrophobicContact CB-CE1 4.06Å
489P94.1Very high91.9Very high47 Ų4741.4 Ų41.431%0.30523%0.23SC..  trans-55.5136.9171-28.138.5000111.9V487 I528 I666 I667 Q668V487-P489 WeakPolarHBondContact O-CD 3.07Å; P489-I528 HydrophobicContact CB-CG2 3.64Å; P489-I528 HydrophobicContact CG-CG2 4.02Å; P489-I666 WeakPolarHBondContact CD-O 3.24Å; P489-I667 HydrophobicContact CB-CG2 4.31Å; P489-Q668 PolarHBondContact O-N 2.84Å
490R93.8Very high90.9Very high45 Ų4540.8 Ų40.817%0.1723%0.226CC..EExtended strand (participates in β ladder)trans-100.6111.8-179-59.2-162.5-175.1-179.5-2.3112I528 H529 P530 R538 Q668 Q670R490-I528 PolarHBondContact N-O 2.71Å; R490-H529 PolarHBondContact NE-CD2 3.46Å; R490-H529 PolarHBondContact NE-NE2 3Å; R490-H529 PolarHBondContact NH2-NE2 2.91Å; R490-H529 VanDerWaalsContact NH2-NE2 3.1Å; R490-P530 VanDerWaalsContact CD-CD 3.41Å; R490-P530 VanDerWaalsContact NE-CD 3.35Å; R490-R538 PolarHBondContact O-NH1 3.46Å; R490-R538 PolarHBondContact O-NH2 3.33Å; R490-Q668 CarbonylContact C-O 3.22Å; R490-Q668 WeakPolarHBondContact CA-O 3.42Å; R490-Q668 HydrophobicContact CG-CB 4.32Å; R490-Q668 VanDerWaalsContact NE-OE1 3.07Å; R490-Q670 HydrophobicContact CB-CG 4.09Å
491T93.3Very high89.9Confident4 Ų448.5 Ų48.53%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-114.2173.6175.1-160.30000113.5R538 D657 L658 I667 Q668 I669 Q670T491-R538 VanDerWaalsContact CA-NH1 3.3Å; T491-R538 VanDerWaalsContact CB-NH1 3.34Å; T491-R538 PolarHBondContact OG1-NH1 2.81Å; T491-D657 PolarHBondContact OG1-OD1 2.91Å; T491-L658 HydrophobicContact CG2-CD1 4.42Å; T491-L658 HydrophobicContact CG2-CD2 3.68Å; T491-L658 HydrophobicContact CG2-CG 4.13Å; T491-I667 HydrophobicContact CG2-CD1 3.92Å; T491-Q668 PolarHBondContact N-O 2.73Å; T491-I669 HydrophobicContact CG2-CG1 4.35Å; T491-I669 WeakPolarHBondContact O-CA 3.36Å; T491-Q670 WeakPolarHBondContact O-CG 3.4Å; T491-Q670 PolarHBondContact O-N 2.82Å
492T95.2Very high88.6Confident10 Ų1046.9 Ų46.96%0.06126%0.264CS..  trans-119.2136-177.1-57.50000110.1L494 T603 W604 L605 D655T492-L494 HydrophobicContact CG2-CD2 4.48Å; T492-T603 HydrophobicContact CG2-CG2 3.94Å; T492-W604 WeakPolarHBondContact CG2-O 3.44Å; T492-L605 HydrophobicContact CG2-CD2 4.09Å; T492-L605 HydrophobicContact CG2-CG 4.38Å; T492-D655 PolarHBondContact O-N 3.04Å
493A96.3Very high87.8Confident0 Ų045.3 Ų45.30%026%0.258CS..EExtended strand (participates in β ladder)trans-147.8144.9168.800000109.2L652 L653 I669A493-L652 HydrophobicContact CB-CB 4Å; A493-L652 HydrophobicContact CB-CD2 3.73Å; A493-L653 CarbonylContact C-O 3.57Å; A493-L653 WeakPolarHBondContact CA-O 3.3Å; A493-I669 HydrophobicContact CB-CD1 4.29Å; A493-I669 HydrophobicContact CB-CG2 4Å
494L96.9Very high87.1Confident0 Ų050 Ų500%028%0.283CS..EExtended strand (participates in β ladder)trans-112.5135.3-178.1-53.3178.3000109.8T492 L496 L510 F547 E549 L605 L652 L653T492-L494 HydrophobicContact CG2-CD2 4.48Å; L494-L496 PolarHBondContact O-N 3.41Å; L494-L510 HydrophobicContact CB-CD1 4.25Å; L494-L510 HydrophobicContact CB-CD2 3.68Å; L494-L510 HydrophobicContact CD1-CD1 4.19Å; L494-L510 HydrophobicContact CD1-CD2 4.27Å; L494-F547 HydrophobicContact CD1-CB 3.93Å; L494-F547 VanDerWaalsContact CD1-O 3.28Å; L494-F547 WeakPolarHBondContact CD1-O 3.22Å; L494-E549 WeakPolarHBondContact CA-OE1 3.2Å; L494-E549 HydrophobicContact CB-CG 4.03Å; L494-E549 HydrophobicContact CD2-CG 4.11Å; L494-L605 HydrophobicContact CB-CD1 4.43Å; L494-L605 HydrophobicContact CD1-CB 4.01Å; L494-L605 HydrophobicContact CD1-CD1 4.04Å; L494-L605 HydrophobicContact CD1-CG 3.93Å; L494-L605 HydrophobicContact CG-CD1 3.86Å; L494-L605 HydrophobicContact CG-CG 3.95Å; L494-L652 CarbonylContact O-C 3.6Å; L494-L652 WeakPolarHBondContact O-CA 3.33Å; L494-L652 VanDerWaalsContact O-CB 3.32Å; L494-L652 WeakPolarHBondContact O-CB 3.49Å; L494-L653 PolarHBondContact N-O 3.44Å; L494-L653 PolarHBondContact O-N 2.95Å
495L95.4Very high86.3Confident42 Ų4253.3 Ų53.322%0.2232%0.318CS..EExtended strand (participates in β ladder)trans-67.7127.8179.4175.972000111.6L510 E549 Q650L495-L510 WeakPolarHBondContact O-CD2 3.33Å; L495-E549 PolarHBondContact N-OE1 2.83Å; L495-Q650 HydrophobicContact CD1-CB 3.87Å; L495-Q650 HydrophobicContact CD1-CG 4.17Å
496L92.2Very high86.1Confident52 Ų5250.4 Ų50.427%0.27231%0.305SS..  trans-84.3120168-61175.9000108.3L494 P507 P508 L510 C651 L653L494-L496 PolarHBondContact O-N 3.41Å; L496-P507 HydrophobicContact CD2-CB 3.81Å; L496-P508 WeakPolarHBondContact CA-O 3.44Å; L496-P508 WeakPolarHBondContact CD2-O 3.17Å; L496-L510 HydrophobicContact CD2-CD1 4.16Å; L496-L510 HydrophobicContact CD2-CG 4.29Å; L496-C651 WeakPolarHBondContact CB-O 3.3Å; L496-C651 PolarHBondContact N-O 3.11Å; L496-L653 HydrophobicContact CD1-CB 4.39Å; L496-L653 HydrophobicContact CD2-CB 4.08Å; L496-L653 HydrophobicContact CG-CB 4.29Å
497D84.8Confident85.9Confident65 Ų6549.7 Ų49.735%0.34830%0.3SS..  trans-111.8107.4178.1-172.2-12.4000109.9S499 Y500 P508 G509D497-S499 PolarHBondContact O-N 2.93Å; D497-S499 VanDerWaalsContact OD1-CB 3.22Å; D497-S499 WeakPolarHBondContact OD1-CB 2.97Å; D497-S499 PolarHBondContact OD1-N 2.9Å; D497-S499 PolarHBondContact OD1-OG 2.82Å; D497-S499 PolarHBondContact OD2-OG 2.99Å; D497-Y500 PolarHBondContact O-N 2.99Å; D497-Y500 VanDerWaalsContact O-N 3.16Å; D497-Y500 VanDerWaalsContact O-O 3.12Å; D497-P508 PolarHBondContact N-O 2.57Å; D497-P508 CarbonylContact O-C 3.22Å; D497-G509 PolarHBondContact O-N 2.97Å
498S79.5Confident85.7Confident113 Ų11350.5 Ų50.579%0.7931%0.307SS*.THydrogen-bonded Turntrans-65.5-15.8179.564.40000114.1Y500S498-Y500 PolarHBondContact O-N 3.29Å
499S76.8Confident85.5Confident99 Ų9950.6 Ų50.669%0.69231%0.308SS*.THydrogen-bonded Turntrans-66.2-19.6174.172.90000112.5D497D497-S499 PolarHBondContact O-N 2.93Å; D497-S499 VanDerWaalsContact OD1-CB 3.22Å; D497-S499 WeakPolarHBondContact OD1-CB 2.97Å; D497-S499 PolarHBondContact OD1-N 2.9Å; D497-S499 PolarHBondContact OD1-OG 2.82Å; D497-S499 PolarHBondContact OD2-OG 2.99Å
500Y71.2Confident85.5Confident23 Ų2348.4 Ų48.49%0.0929%0.294CS..SBendtrans-123.7104.1175.6177-120.7000110.9D497 S498 G502 P508 G509 L581D497-Y500 PolarHBondContact O-N 2.99Å; D497-Y500 VanDerWaalsContact O-N 3.16Å; D497-Y500 VanDerWaalsContact O-O 3.12Å; S498-Y500 PolarHBondContact O-N 3.29Å; Y500-G502 PolarHBondContact O-N 3.4Å; Y500-G502 VanDerWaalsContact O-N 3.15Å; Y500-P508 CarbonylContact O-C 3.49Å; Y500-P508 WeakPolarHBondContact O-CA 3.13Å; Y500-P508 WeakPolarHBondContact O-CB 3.42Å; Y500-G509 PolarHBondContact O-N 2.98Å; Y500-L581 HydrophobicContact CD2-CD1 3.68Å; Y500-L581 HydrophobicContact CE2-CB 4.49Å; Y500-L581 HydrophobicContact CE2-CD1 3.75Å
501M74.1Confident85.6Confident163 Ų16346.3 Ų46.380%0.80329%0.286SS*.  trans-67.7111.8166.7-58.8-167.476.200107.8
502G68.7Low85.7Confident22 Ų2247.7 Ų47.723%0.22729%0.29CS..  trans-55.6162.9-176.500000113.3Y500 T506Y500-G502 PolarHBondContact O-N 3.4Å; Y500-G502 VanDerWaalsContact O-N 3.15Å; G502-T506 WeakPolarHBondContact CA-O 3.49Å
503H74.1Confident85.8Confident62 Ų6247.2 Ų47.229%0.28729%0.288SS..SBendtrans-99.6142.1-175.6-135.1-70.5000111.8G505 T506 K578 V583H503-G505 PolarHBondContact O-N 3.28Å; H503-T506 WeakPolarHBondContact O-CB 3.33Å; H503-T506 PolarHBondContact O-N 2.92Å; H503-T506 PolarHBondContact O-OG1 3.41Å; H503-K578 PolarHBondContact NE2-NZ 3.31Å; H503-V583 HydrophobicContact CB-CB 4.49Å
504N76.4Confident85.8Confident145 Ų14550 Ų5078%0.77530%0.3SS*.THydrogen-bonded Turntrans50.349.4174.1-63.73.3000114.3T506N504-T506 PolarHBondContact O-N 3.23Å
505G78.8Confident85.8Confident73 Ų7350.3 Ų50.375%0.75330%0.302SS*.THydrogen-bonded Turntrans77.74.1179.700000114.8H503H503-G505 PolarHBondContact O-N 3.28Å
506T87.5Confident85.7Confident11 Ų1152.6 Ų52.67%0.06731%0.311CS..PPolyproline II helixtrans-70138.4170.5-540000110G502 H503 N504 L510 R512 F547G502-T506 WeakPolarHBondContact CA-O 3.49Å; H503-T506 WeakPolarHBondContact O-CB 3.33Å; H503-T506 PolarHBondContact O-N 2.92Å; H503-T506 PolarHBondContact O-OG1 3.41Å; N504-T506 PolarHBondContact O-N 3.23Å; T506-L510 HydrophobicContact CG2-CB 4.09Å; T506-L510 VanDerWaalsContact CG2-O 3.29Å; T506-L510 WeakPolarHBondContact CG2-O 3.48Å; T506-R512 HydrophobicContact CG2-CB 4.47Å; T506-F547 HydrophobicContact CG2-CD1 3.81Å; T506-F547 HydrophobicContact CG2-CE1 3.82Å
507P89Confident85.6Confident26 Ų2653 Ų5317%0.16933%0.328CS..PPolyproline II helixtrans-59153.5177.5-24.233.5000113.3L496 L510 F547 L653L496-P507 HydrophobicContact CD2-CB 3.81Å; P507-L510 HydrophobicContact CB-CD1 3.91Å; P507-L510 HydrophobicContact CB-CG 4.31Å; P507-L510 HydrophobicContact CG-CD1 4.15Å; P507-L510 PolarHBondContact O-N 2.98Å; P507-F547 HydrophobicContact CG-CE2 4.35Å; P507-F547 HydrophobicContact CG-CZ 4.46Å; P507-L653 HydrophobicContact CB-CD2 4.39Å; P507-L653 HydrophobicContact CG-CD2 3.92Å
508P88.4Confident86Confident57 Ų5751.1 Ų51.137%0.3732%0.317SS..THydrogen-bonded Turntrans-55.2138.8177.9-25.534.8000113.4L496 D497 Y500 L510L496-P508 WeakPolarHBondContact CA-O 3.44Å; L496-P508 WeakPolarHBondContact CD2-O 3.17Å; D497-P508 PolarHBondContact N-O 2.57Å; D497-P508 CarbonylContact O-C 3.22Å; Y500-P508 CarbonylContact O-C 3.49Å; Y500-P508 WeakPolarHBondContact O-CA 3.13Å; Y500-P508 WeakPolarHBondContact O-CB 3.42Å; P508-L510 PolarHBondContact O-N 2.91Å
509G88.7Confident86.3Confident4 Ų452.6 Ų52.64%0.04132%0.322CS..THydrogen-bonded Turntrans75.4-5.9-178.500000116.1D497 Y500 Q550D497-G509 PolarHBondContact O-N 2.97Å; Y500-G509 PolarHBondContact O-N 2.98Å; G509-Q550 WeakPolarHBondContact O-CB 3.37Å; G509-Q550 PolarHBondContact O-N 3.43Å
510L95Very high86.8Confident1 Ų149.2 Ų49.21%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-106.8155.9-176.6-53.2-171.8000112.6L494 L495 L496 T506 P507 P508 F547 V548 E549 L653L494-L510 HydrophobicContact CB-CD1 4.25Å; L494-L510 HydrophobicContact CB-CD2 3.68Å; L494-L510 HydrophobicContact CD1-CD1 4.19Å; L494-L510 HydrophobicContact CD1-CD2 4.27Å; L495-L510 WeakPolarHBondContact O-CD2 3.33Å; L496-L510 HydrophobicContact CD2-CD1 4.16Å; L496-L510 HydrophobicContact CD2-CG 4.29Å; T506-L510 HydrophobicContact CG2-CB 4.09Å; T506-L510 VanDerWaalsContact CG2-O 3.29Å; T506-L510 WeakPolarHBondContact CG2-O 3.48Å; P507-L510 HydrophobicContact CB-CD1 3.91Å; P507-L510 HydrophobicContact CB-CG 4.31Å; P507-L510 HydrophobicContact CG-CD1 4.15Å; P507-L510 PolarHBondContact O-N 2.98Å; P508-L510 PolarHBondContact O-N 2.91Å; L510-F547 HydrophobicContact CB-CB 4.32Å; L510-F547 HydrophobicContact CD1-CB 3.94Å; L510-F547 HydrophobicContact CD1-CG 4.34Å; L510-V548 CarbonylContact C-O 3.51Å; L510-V548 WeakPolarHBondContact CA-O 3.21Å; L510-E549 HydrophobicContact CD2-CG 4.17Å; L510-L653 HydrophobicContact CD1-CD2 4.47Å
511V95Very high87.7Confident0 Ų052.6 Ų52.60%032%0.316CS..EExtended strand (participates in β ladder)trans-118.1132.7176.4179.60000109.4F547 V548 A553 I582 I585V511-F547 WeakPolarHBondContact O-CA 3.46Å; V511-V548 HydrophobicContact CB-CG2 4.04Å; V511-V548 PolarHBondContact N-O 2.9Å; V511-V548 PolarHBondContact O-N 3.35Å; V511-A553 HydrophobicContact CB-CB 4.11Å; V511-A553 HydrophobicContact CG1-CB 4.3Å; V511-A553 HydrophobicContact CG2-CB 3.78Å; V511-I582 HydrophobicContact CG1-CG2 3.79Å; V511-I582 HydrophobicContact CG2-CB 4.49Å; V511-I582 HydrophobicContact CG2-CG2 4.42Å; V511-I585 HydrophobicContact CG1-CD1 4.04Å; V511-I585 HydrophobicContact CG1-CG1 4.31Å
512R95.9Very high88.4Confident34 Ų3448 Ų4813%0.12830%0.297CS..EExtended strand (participates in β ladder)trans-80.4130.2173.7-173.4175.9-69.5-105.9-9.5110.6T506 E545 V546 F547 S584 I585 D607T506-R512 HydrophobicContact CG2-CB 4.47Å; R512-E545 VanDerWaalsContact NH1-CD 3.31Å; R512-E545 IonicContact NH1-OE1 3.83Å; R512-E545 PolarHBondContact NH1-OE1 3.06Å; R512-E545 IonicContact NH1-OE2 3.96Å; R512-E545 PolarHBondContact NH1-OE2 3.44Å; R512-V546 CarbonylContact C-O 3.53Å; R512-V546 WeakPolarHBondContact CA-O 3.26Å; R512-F547 HydrophobicContact CB-CD1 4.44Å; R512-F547 HydrophobicContact CB-CE1 4.4Å; R512-F547 HydrophobicContact CG-CE1 4.47Å; R512-S584 VanDerWaalsContact O-CA 3.23Å; R512-S584 WeakPolarHBondContact O-CA 3.48Å; R512-I585 PolarHBondContact O-N 3.49Å; R512-D607 IonicContact CZ-OD2 3.57Å; R512-D607 IonicContact NH1-OD2 3.74Å; R512-D607 PolarHBondContact NH1-OD2 2.91Å; R512-D607 IonicContact NH2-OD2 2.7Å; R512-D607 PolarHBondContact NH2-OD2 3.33Å
513V97.4Very high89.4Confident0 Ų053.6 Ų53.60%032%0.317CS..EExtended strand (participates in β ladder)trans-114.5123.1174.8-169.30000108.7I515 E545 V546 V548 I585 A587V513-I515 HydrophobicContact CB-CD1 4.09Å; V513-I515 HydrophobicContact CG1-CD1 3.55Å; V513-E545 WeakPolarHBondContact O-CA 3.42Å; V513-V546 HydrophobicContact CB-CG2 3.8Å; V513-V546 HydrophobicContact CG2-CG2 4.32Å; V513-V546 PolarHBondContact N-O 3.44Å; V513-V546 PolarHBondContact O-N 2.95Å; V513-V548 HydrophobicContact CG2-CB 4.43Å; V513-V548 HydrophobicContact CG2-CG1 3.92Å; V513-V548 HydrophobicContact CG2-CG2 3.66Å; V513-I585 CarbonylContact C-O 3.49Å; V513-I585 VanDerWaalsContact CA-O 3.31Å; V513-I585 WeakPolarHBondContact CA-O 3.49Å; V513-I585 HydrophobicContact CB-CB 4.46Å; V513-I585 HydrophobicContact CG1-CB 4.03Å; V513-I585 HydrophobicContact CG1-CG2 3.94Å; V513-I585 HydrophobicContact CG2-CB 4.19Å; V513-I585 HydrophobicContact CG2-CD1 4.32Å; V513-A587 HydrophobicContact CG1-CB 3.84Å
514H96.6Very high90.2Very high57 Ų5754.1 Ų54.126%0.26432%0.319SS..EExtended strand (participates in β ladder)trans-90.4122.9175.1-56.5-71.9000109.4E545 I585 A587H514-E545 IonicContact CE1-OE1 2.92Å; H514-E545 PolarHBondContact CE1-OE1 3.4Å; H514-E545 IonicContact ND1-OE1 2.98Å; H514-E545 PolarHBondContact ND1-OE1 3.2Å; H514-I585 PolarHBondContact N-O 2.92Å; H514-A587 PolarHBondContact O-N 3.06Å; H514-A587 VanDerWaalsContact O-O 3.1Å
515I96.6Very high90.9Very high7 Ų754.9 Ų54.94%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-103.892.5-169.8-46.1-61.1000110.3V513 G517 Q518 P544 V546 W567 L570 A587 L589V513-I515 HydrophobicContact CB-CD1 4.09Å; V513-I515 HydrophobicContact CG1-CD1 3.55Å; I515-G517 PolarHBondContact O-N 3.27Å; I515-Q518 HydrophobicContact CB-CB 4.2Å; I515-Q518 HydrophobicContact CG2-CB 3.91Å; I515-Q518 PolarHBondContact O-N 3.21Å; I515-Q518 VanDerWaalsContact O-N 3.16Å; I515-P544 PolarHBondContact N-O 2.81Å; I515-V546 HydrophobicContact CD1-CG2 3.93Å; I515-V546 HydrophobicContact CG1-CG1 4.42Å; I515-V546 HydrophobicContact CG1-CG2 4.23Å; I515-W567 HydrophobicContact CG1-CH2 4.41Å; I515-W567 HydrophobicContact CG2-CH2 4.27Å; I515-W567 HydrophobicContact CG2-CZ2 4.32Å; I515-L570 HydrophobicContact CD1-CD2 3.57Å; I515-L570 HydrophobicContact CG1-CD2 4.47Å; I515-L570 HydrophobicContact CG2-CD2 3.89Å; I515-A587 CarbonylContact C-O 3.57Å; I515-A587 WeakPolarHBondContact CA-O 3.34Å; I515-A587 HydrophobicContact CD1-CB 4.27Å; I515-L589 HydrophobicContact CG2-CD2 3.67Å; I515-L589 HydrophobicContact CG2-CG 3.99Å
516H93.3Very high91.4Very high90 Ų9051.9 Ų51.942%0.41728%0.282SS..EExtended strand (participates in β ladder)trans-61.7128.1172.8-62-72.2000110.4D586 A587 C588 L589H516-D586 IonicContact CD2-OD1 3.81Å; H516-D586 IonicContact CE1-OD1 3.67Å; H516-D586 IonicContact NE2-OD1 2.79Å; H516-D586 PolarHBondContact NE2-OD1 3.25Å; H516-A587 WeakPolarHBondContact CB-O 3.39Å; H516-A587 PolarHBondContact CD2-O 3.37Å; H516-A587 PolarHBondContact N-O 2.84Å; H516-C588 HydrophobicContact CB-CB 4.11Å; H516-C588 WeakPolarHBondContact O-CA 3.46Å; H516-L589 PolarHBondContact O-N 2.83Å
517G89.9Confident91.5Very high61 Ų6153.6 Ų53.663%0.62929%0.289SS*.THydrogen-bonded Turntrans98.8-17.3-174.200000114.8I515I515-G517 PolarHBondContact O-N 3.27Å
518Q92.6Very high91.5Very high25 Ų2554.3 Ų54.312%0.11729%0.291CS..  trans-10299.5171.4-173.569.429.700109.1I515 G520 T522 P544 W567 L589I515-Q518 HydrophobicContact CB-CB 4.2Å; I515-Q518 HydrophobicContact CG2-CB 3.91Å; I515-Q518 PolarHBondContact O-N 3.21Å; I515-Q518 VanDerWaalsContact O-N 3.16Å; Q518-G520 PolarHBondContact NE2-O 2.99Å; Q518-T522 PolarHBondContact NE2-OG1 3.21Å; Q518-P544 WeakPolarHBondContact O-CA 3.29Å; Q518-P544 VanDerWaalsContact O-CB 3.24Å; Q518-P544 WeakPolarHBondContact O-CB 3.31Å; Q518-W567 HydrophobicContact CB-CH2 4.48Å; Q518-W567 HydrophobicContact CB-CZ2 4.2Å; Q518-W567 HydrophobicContact CG-CH2 4.07Å; Q518-W567 HydrophobicContact CG-CZ2 3.91Å; Q518-L589 HydrophobicContact CB-CD1 4.16Å
519T85.9Confident91.6Very high144 Ų14451.7 Ų51.788%0.88327%0.274SS*.  trans-89.4-16.7-172.352.20000114.8
520G88.3Confident91.4Very high29 Ų2954 Ų5430%0.29929%0.289SS..SBendtrans-151.1-174.6-178.300000112.4Q518Q518-G520 PolarHBondContact NE2-O 2.99Å
521Y89.4Confident90.9Very high93 Ų9362 Ų6237%0.36532%0.323SS..  trans-86.4129.3178.6-63.7-78.4000111.4L541 L542 T606 D607 K609Y521-L541 HydrophobicContact CD1-CD2 3.83Å; Y521-L541 HydrophobicContact CD1-CG 4.04Å; Y521-L541 HydrophobicContact CE1-CD2 4.43Å; Y521-L541 HydrophobicContact CG-CD2 4.48Å; Y521-L542 CarbonylContact C-O 3.54Å; Y521-L542 VanDerWaalsContact CA-O 3.22Å; Y521-L542 WeakPolarHBondContact CA-O 3.28Å; Y521-T606 HydrophobicContact CD1-CG2 3.88Å; Y521-T606 HydrophobicContact CE1-CG2 3.57Å; Y521-D607 WeakPolarHBondContact CE1-O 3.46Å; Y521-D607 PolarHBondContact OH-O 2.9Å; Y521-D607 VanDerWaalsContact OH-O 3.08Å; Y521-K609 WeakPolarHBondContact OH-CD 3.47Å; Y521-K609 WeakPolarHBondContact OH-CG 3.24Å
522T89.5Confident90.4Very high66 Ų6663.3 Ų63.341%0.40533%0.331SS..EExtended strand (participates in β ladder)trans-133136.7177.353.40000111.2Q518 L542Q518-T522 PolarHBondContact NE2-OG1 3.21Å; T522-L542 PolarHBondContact N-O 3.47Å; T522-L542 PolarHBondContact O-N 2.97Å
523E88.1Confident89.9Confident140 Ų14067.8 Ų67.865%0.65435%0.353SS*.EExtended strand (participates in β ladder)trans-80.9139.2172.2-75.4-169.7-164.900111.4S539 I540 L541E523-S539 WeakPolarHBondContact OE2-CB 3.15Å; E523-S539 PolarHBondContact OE2-OG 3.31Å; E523-S539 VanDerWaalsContact OE2-OG 3.05Å; E523-I540 CarbonylContact C-O 3.47Å; E523-I540 WeakPolarHBondContact CA-O 3.08Å; E523-L541 HydrophobicContact CG-CD1 4.38Å
524K90.9Very high89.3Confident74 Ų7472.4 Ų72.432%0.32239%0.385SS..EExtended strand (participates in β ladder)trans-126.3128.1172.7-176.3178.6-178.1-1760110.1V526 S539 I540 L542 N566 W567K524-V526 HydrophobicContact CD-CG1 4.5Å; K524-V526 HydrophobicContact CG-CG1 4.27Å; K524-S539 CarbonylContact O-C 3.56Å; K524-S539 WeakPolarHBondContact O-CA 3.44Å; K524-I540 HydrophobicContact CB-CG1 4.07Å; K524-I540 PolarHBondContact N-O 3.39Å; K524-I540 WeakPolarHBondContact O-CG1 3.21Å; K524-I540 PolarHBondContact O-N 3.49Å; K524-L542 HydrophobicContact CB-CD1 4.11Å; K524-L542 HydrophobicContact CB-CD2 4.3Å; K524-L542 HydrophobicContact CB-CG 4.15Å; K524-L542 HydrophobicContact CD-CD1 4.17Å; K524-L542 HydrophobicContact CD-CD2 4.5Å; K524-N566 WeakPolarHBondContact CE-O 3.5Å; K524-N566 PolarHBondContact NZ-O 3.37Å; K524-W567 PolarHBondContact NZ-O 3.44Å
525K91.1Very high88.7Confident161 Ų16171.9 Ų71.970%0.738%0.384SS*.EExtended strand (participates in β ladder)trans-77.2129.5172.4-68.9-172.3178.6-176.90110.7R538K525-R538 CarbonylContact C-O 3.48Å; K525-R538 WeakPolarHBondContact CA-O 2.98Å
526V91.1Very high88.4Confident9 Ų972.6 Ų72.66%0.05539%0.393CS..EExtended strand (participates in β ladder)trans-131.9148.9179.6-58.30000109.2K524 I528 Y537 R538 I540 N566K524-V526 HydrophobicContact CD-CG1 4.5Å; K524-V526 HydrophobicContact CG-CG1 4.27Å; V526-I528 PolarHBondContact O-N 3.28Å; V526-Y537 CarbonylContact O-C 3.58Å; V526-Y537 VanDerWaalsContact O-CA 3.23Å; V526-Y537 WeakPolarHBondContact O-CA 3.41Å; V526-R538 HydrophobicContact CG2-CG 3.66Å; V526-R538 PolarHBondContact N-O 2.93Å; V526-R538 PolarHBondContact O-N 3.33Å; V526-I540 HydrophobicContact CG1-CD1 3.75Å; V526-I540 HydrophobicContact CG1-CG1 3.84Å; V526-I540 HydrophobicContact CG2-CG1 4.42Å; V526-I540 HydrophobicContact CG2-CG2 3.78Å; V526-N566 HydrophobicContact CG1-CB 3.95Å
527Q89Confident88.3Confident47 Ų4774.6 Ų74.622%0.2240%0.398CS..EExtended strand (participates in β ladder)trans-65.6136.6177.5-68177.2-10.900109.9H529 P530 E533 Y537Q527-H529 PolarHBondContact O-N 2.81Å; Q527-P530 PolarHBondContact OE1-O 3.27Å; Q527-E533 PolarHBondContact NE2-OE1 3.08Å; Q527-Y537 HydrophobicContact CG-CD1 3.93Å; Q527-Y537 HydrophobicContact CG-CE1 3.48Å; Q527-Y537 VanDerWaalsContact CG-CE1 3.48Å
528I89.8Confident88.2Confident41 Ų4173.1 Ų73.121%0.2137%0.373CS..SBendtrans-60.8-37.6173.9-75.4165.8000110.2P489 R490 V526 L535 G536 R538P489-I528 HydrophobicContact CB-CG2 3.64Å; P489-I528 HydrophobicContact CG-CG2 4.02Å; R490-I528 PolarHBondContact N-O 2.71Å; V526-I528 PolarHBondContact O-N 3.28Å; I528-L535 HydrophobicContact CB-CB 4.19Å; I528-L535 VanDerWaalsContact CD1-O 3.23Å; I528-L535 WeakPolarHBondContact CD1-O 3.43Å; I528-L535 HydrophobicContact CG2-CB 4.07Å; I528-L535 HydrophobicContact CG2-CD1 4.4Å; I528-G536 PolarHBondContact N-O 2.74Å; I528-R538 HydrophobicContact CG1-CB 4.01Å; I528-R538 HydrophobicContact CG1-CG 4.18Å
529H90.1Very high88Confident3 Ų374.4 Ų74.41%0.01439%0.385CS..SBendtrans-133.6122.3170-172.8-96.5000111E485 A488 R490 Q527 K531 N532 L535E485-H529 PolarHBondContact O-NE2 3.26Å; A488-H529 PolarHBondContact O-CD2 3.36Å; A488-H529 VanDerWaalsContact O-CD2 3.28Å; R490-H529 PolarHBondContact NE-CD2 3.46Å; R490-H529 PolarHBondContact NE-NE2 3Å; R490-H529 PolarHBondContact NH2-NE2 2.91Å; R490-H529 VanDerWaalsContact NH2-NE2 3.1Å; Q527-H529 PolarHBondContact O-N 2.81Å; H529-K531 PolarHBondContact ND1-N 2.83Å; H529-K531 PolarHBondContact O-N 3Å; H529-N532 HydrophobicContact CB-CB 4.02Å; H529-N532 WeakPolarHBondContact ND1-CB 3.45Å; H529-N532 PolarHBondContact ND1-N 3.42Å; H529-N532 CarbonylContact O-C 3.53Å; H529-N532 PolarHBondContact O-N 2.67Å; H529-L535 HydrophobicContact CB-CD1 3.77Å
530P83.5Confident88.1Confident53 Ų5368.2 Ų68.234%0.34435%0.347SS..THydrogen-bonded Turntrans-61.3-15.7-173.8-27.836.4000116.7R490 Q527R490-P530 VanDerWaalsContact CD-CD 3.41Å; R490-P530 VanDerWaalsContact NE-CD 3.35Å; Q527-P530 PolarHBondContact OE1-O 3.27Å
531K84.2Confident88.1Confident167 Ų16769.4 Ų69.473%0.72635%0.346SS*.THydrogen-bonded Turntrans-116.93.3178.5-56179.7178.9174.40112.6H529H529-K531 PolarHBondContact ND1-N 2.83Å; H529-K531 PolarHBondContact O-N 3Å
532N85.5Confident88.3Confident29 Ų2965.6 Ų65.616%0.15533%0.332CS..  trans-138.384.7-176.8-173.8-2.8000109.9P486 H529 S534 L535P486-N532 WeakPolarHBondContact O-CB 3.35Å; P486-N532 PolarHBondContact O-ND2 2.83Å; H529-N532 HydrophobicContact CB-CB 4.02Å; H529-N532 WeakPolarHBondContact ND1-CB 3.45Å; H529-N532 PolarHBondContact ND1-N 3.42Å; H529-N532 CarbonylContact O-C 3.53Å; H529-N532 PolarHBondContact O-N 2.67Å; N532-S534 PolarHBondContact O-N 3.04Å; N532-S534 WeakPolarHBondContact OD1-CB 3.42Å; N532-S534 PolarHBondContact OD1-N 2.79Å; N532-S534 PolarHBondContact OD1-OG 2.95Å; N532-L535 HydrophobicContact CB-CD1 4.45Å; N532-L535 PolarHBondContact O-N 2.78Å
533E84.3Confident88.4Confident128 Ų12862.4 Ų62.460%0.59831%0.312SS*.G310 helixtrans-64.4-19.3-179.7-59-168.5161.100113Q527 L535 G536Q527-E533 PolarHBondContact NE2-OE1 3.08Å; E533-L535 PolarHBondContact O-N 3.13Å; E533-G536 PolarHBondContact O-N 2.92Å
534S85.4Confident88.7Confident97 Ų9757.2 Ų57.268%0.67829%0.291SS*.G310 helixtrans-66.6-21.5-179.476.50000113.7N532 G536N532-S534 PolarHBondContact O-N 3.04Å; N532-S534 WeakPolarHBondContact OD1-CB 3.42Å; N532-S534 PolarHBondContact OD1-N 2.79Å; N532-S534 PolarHBondContact OD1-OG 2.95Å; S534-G536 PolarHBondContact O-N 2.91Å
535L85Confident88.9Confident46 Ų4655 Ų5524%0.24128%0.282CS..G310 helixtrans-75.7-12.5174.1-65.7175.6000112.7V487 I528 H529 N532 E533V487-L535 VanDerWaalsContact O-CD1 3.24Å; V487-L535 WeakPolarHBondContact O-CD1 3.5Å; I528-L535 HydrophobicContact CB-CB 4.19Å; I528-L535 VanDerWaalsContact CD1-O 3.23Å; I528-L535 WeakPolarHBondContact CD1-O 3.43Å; I528-L535 HydrophobicContact CG2-CB 4.07Å; I528-L535 HydrophobicContact CG2-CD1 4.4Å; H529-L535 HydrophobicContact CB-CD1 3.77Å; N532-L535 HydrophobicContact CB-CD1 4.45Å; N532-L535 PolarHBondContact O-N 2.78Å; E533-L535 PolarHBondContact O-N 3.13Å
536G90.6Very high89.1Confident22 Ų2247.4 Ų47.423%0.22725%0.248CC..  trans84.2-157.9178.400000114.2I528 E533 S534I528-G536 PolarHBondContact N-O 2.74Å; E533-G536 PolarHBondContact O-N 2.92Å; S534-G536 PolarHBondContact O-N 2.91Å
537Y90.5Very high89.4Confident131 Ų13147.2 Ų47.251%0.51425%0.247SC..EExtended strand (participates in β ladder)trans-125.3149.7-170.5-62.6-98.9000110.5V526 Q527V526-Y537 CarbonylContact O-C 3.58Å; V526-Y537 VanDerWaalsContact O-CA 3.23Å; V526-Y537 WeakPolarHBondContact O-CA 3.41Å; Q527-Y537 HydrophobicContact CG-CD1 3.93Å; Q527-Y537 HydrophobicContact CG-CE1 3.48Å; Q527-Y537 VanDerWaalsContact CG-CE1 3.48Å
538R87.5Confident89.8Confident30 Ų3045 Ų4511%0.11324%0.236CC..EExtended strand (participates in β ladder)trans-122.9157.7169.367.8175.8-167.2-170.42.1110.3R490 T491 K525 V526 I528 D657R490-R538 PolarHBondContact O-NH1 3.46Å; R490-R538 PolarHBondContact O-NH2 3.33Å; T491-R538 VanDerWaalsContact CA-NH1 3.3Å; T491-R538 VanDerWaalsContact CB-NH1 3.34Å; T491-R538 PolarHBondContact OG1-NH1 2.81Å; K525-R538 CarbonylContact C-O 3.48Å; K525-R538 WeakPolarHBondContact CA-O 2.98Å; V526-R538 HydrophobicContact CG2-CG 3.66Å; V526-R538 PolarHBondContact N-O 2.93Å; V526-R538 PolarHBondContact O-N 3.33Å; I528-R538 HydrophobicContact CG1-CB 4.01Å; I528-R538 HydrophobicContact CG1-CG 4.18Å; R538-D657 WeakPolarHBondContact CD-OD2 3.46Å; R538-D657 IonicContact CZ-OD2 2.98Å; R538-D657 IonicContact NE-OD2 3.48Å; R538-D657 IonicContact NH1-OD2 3.01Å; R538-D657 PolarHBondContact NH1-OD2 3.44Å
539S87.8Confident90Very high53 Ų5343.5 Ų43.537%0.37123%0.229SC..EExtended strand (participates in β ladder)trans-89.6137.4172.3-72.10000110.1E523 K524E523-S539 WeakPolarHBondContact OE2-CB 3.15Å; E523-S539 PolarHBondContact OE2-OG 3.31Å; E523-S539 VanDerWaalsContact OE2-OG 3.05Å; K524-S539 CarbonylContact O-C 3.56Å; K524-S539 WeakPolarHBondContact O-CA 3.44Å
540I88.9Confident90.2Very high13 Ų1344.3 Ų44.37%0.06723%0.233CC..EExtended strand (participates in β ladder)trans-114.9148.8164.460.8167.8000109.4E523 K524 V526 L542 N566 W604E523-I540 CarbonylContact C-O 3.47Å; E523-I540 WeakPolarHBondContact CA-O 3.08Å; K524-I540 HydrophobicContact CB-CG1 4.07Å; K524-I540 PolarHBondContact N-O 3.39Å; K524-I540 WeakPolarHBondContact O-CG1 3.21Å; K524-I540 PolarHBondContact O-N 3.49Å; V526-I540 HydrophobicContact CG1-CD1 3.75Å; V526-I540 HydrophobicContact CG1-CG1 3.84Å; V526-I540 HydrophobicContact CG2-CG1 4.42Å; V526-I540 HydrophobicContact CG2-CG2 3.78Å; I540-L542 HydrophobicContact CD1-CD2 3.96Å; I540-L542 HydrophobicContact CG1-CD2 4.22Å; I540-N566 HydrophobicContact CD1-CB 3.89Å; I540-W604 HydrophobicContact CD1-CH2 4.24Å; I540-W604 HydrophobicContact CD1-CZ2 4.08Å
541L89.1Confident90.5Very high54 Ų5442.8 Ų42.828%0.28322%0.224SC..EExtended strand (participates in β ladder)trans-91.4124.5177.5-166.466.8000109.8Y521 E523 T606Y521-L541 HydrophobicContact CD1-CD2 3.83Å; Y521-L541 HydrophobicContact CD1-CG 4.04Å; Y521-L541 HydrophobicContact CE1-CD2 4.43Å; Y521-L541 HydrophobicContact CG-CD2 4.48Å; E523-L541 HydrophobicContact CG-CD1 4.38Å; L541-T606 HydrophobicContact CD2-CG2 4.11Å; L541-T606 HydrophobicContact CG-CG2 4.28Å; L541-T606 WeakPolarHBondContact O-CB 3.31Å; L541-T606 PolarHBondContact O-OG1 2.88Å
542L92.7Very high91Very high13 Ų1335.1 Ų35.17%0.06819%0.191CC..EExtended strand (participates in β ladder)trans-97.5138.4169-45.3-174.7000108.2Y521 T522 K524 I540 W567 W604Y521-L542 CarbonylContact C-O 3.54Å; Y521-L542 VanDerWaalsContact CA-O 3.22Å; Y521-L542 WeakPolarHBondContact CA-O 3.28Å; T522-L542 PolarHBondContact N-O 3.47Å; T522-L542 PolarHBondContact O-N 2.97Å; K524-L542 HydrophobicContact CB-CD1 4.11Å; K524-L542 HydrophobicContact CB-CD2 4.3Å; K524-L542 HydrophobicContact CB-CG 4.15Å; K524-L542 HydrophobicContact CD-CD1 4.17Å; K524-L542 HydrophobicContact CD-CD2 4.5Å; I540-L542 HydrophobicContact CD1-CD2 3.96Å; I540-L542 HydrophobicContact CG1-CD2 4.22Å; L542-W567 HydrophobicContact CB-CH2 3.91Å; L542-W567 HydrophobicContact CB-CZ2 3.85Å; L542-W567 HydrophobicContact CB-CZ3 4.28Å; L542-W567 HydrophobicContact CD1-CD2 4.38Å; L542-W567 HydrophobicContact CD1-CZ2 4.3Å; L542-W567 HydrophobicContact CD2-CD2 3.88Å; L542-W567 HydrophobicContact CD2-CE3 4.04Å; L542-W567 HydrophobicContact CD2-CG 4.19Å; L542-W567 HydrophobicContact CD2-CZ3 4.45Å; L542-W567 HydrophobicContact CG-CZ2 4.49Å; L542-W604 HydrophobicContact CD2-CH2 3.53Å; L542-W604 HydrophobicContact CD2-CZ2 4.12Å
543G92.2Very high91.4Very high0 Ų033.8 Ų33.80%018%0.184CC..  trans-144.7164.7-177.800000113.9E545 W567G543-E545 PolarHBondContact O-N 2.83Å; G543-W567 WeakPolarHBondContact O-CH2 3.45Å
544P94.5Very high91.9Very high31 Ų3131.1 Ų31.120%0.20117%0.173CC..SBendtrans-62.9-20.5179.526-35.2000113.3I515 Q518I515-P544 PolarHBondContact N-O 2.81Å; Q518-P544 WeakPolarHBondContact O-CA 3.29Å; Q518-P544 VanDerWaalsContact O-CB 3.24Å; Q518-P544 WeakPolarHBondContact O-CB 3.31Å
545E94.5Very high92.3Very high28 Ų2830.1 Ų30.113%0.13117%0.166CC..EExtended strand (participates in β ladder)trans-133.8133.7-178.8-60.7-174.8119.600109.8R512 V513 H514 G543 D607 K609R512-E545 VanDerWaalsContact NH1-CD 3.31Å; R512-E545 IonicContact NH1-OE1 3.83Å; R512-E545 PolarHBondContact NH1-OE1 3.06Å; R512-E545 IonicContact NH1-OE2 3.96Å; R512-E545 PolarHBondContact NH1-OE2 3.44Å; V513-E545 WeakPolarHBondContact O-CA 3.42Å; H514-E545 IonicContact CE1-OE1 2.92Å; H514-E545 PolarHBondContact CE1-OE1 3.4Å; H514-E545 IonicContact ND1-OE1 2.98Å; H514-E545 PolarHBondContact ND1-OE1 3.2Å; G543-E545 PolarHBondContact O-N 2.83Å; E545-D607 HydrophobicContact CB-CB 4.36Å; E545-D607 PolarHBondContact O-N 2.96Å; E545-K609 WeakPolarHBondContact OE2-CE 3.36Å; E545-K609 IonicContact OE2-NZ 3.72Å; E545-K609 PolarHBondContact OE2-NZ 3.32Å
546V96Very high92.8Very high0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-134.8162.6178.4-56.40000111R512 V513 I515 F564 W567 W604 L605R512-V546 CarbonylContact C-O 3.53Å; R512-V546 WeakPolarHBondContact CA-O 3.26Å; V513-V546 HydrophobicContact CB-CG2 3.8Å; V513-V546 HydrophobicContact CG2-CG2 4.32Å; V513-V546 PolarHBondContact N-O 3.44Å; V513-V546 PolarHBondContact O-N 2.95Å; I515-V546 HydrophobicContact CD1-CG2 3.93Å; I515-V546 HydrophobicContact CG1-CG1 4.42Å; I515-V546 HydrophobicContact CG1-CG2 4.23Å; V546-F564 HydrophobicContact CG2-CE1 3.95Å; V546-W567 HydrophobicContact CG1-CH2 4.46Å; V546-W567 HydrophobicContact CG1-CZ3 3.75Å; V546-W604 HydrophobicContact CB-CE3 4.09Å; V546-W604 HydrophobicContact CG1-CE3 3.65Å; V546-W604 HydrophobicContact CG1-CZ3 3.97Å; V546-L605 CarbonylContact C-O 3.51Å; V546-L605 VanDerWaalsContact CA-O 3.27Å; V546-L605 WeakPolarHBondContact CA-O 3.47Å; V546-L605 WeakPolarHBondContact CB-O 3.42Å
547F96.1Very high93Very high5 Ų533 Ų332%0.02217%0.17CC..EExtended strand (participates in β ladder)trans-105.2142172-55.6-54.3000110.9L494 T506 P507 L510 V511 R512 W604 L605 D607 L615L494-F547 HydrophobicContact CD1-CB 3.93Å; L494-F547 VanDerWaalsContact CD1-O 3.28Å; L494-F547 WeakPolarHBondContact CD1-O 3.22Å; T506-F547 HydrophobicContact CG2-CD1 3.81Å; T506-F547 HydrophobicContact CG2-CE1 3.82Å; P507-F547 HydrophobicContact CG-CE2 4.35Å; P507-F547 HydrophobicContact CG-CZ 4.46Å; L510-F547 HydrophobicContact CB-CB 4.32Å; L510-F547 HydrophobicContact CD1-CB 3.94Å; L510-F547 HydrophobicContact CD1-CG 4.34Å; V511-F547 WeakPolarHBondContact O-CA 3.46Å; R512-F547 HydrophobicContact CB-CD1 4.44Å; R512-F547 HydrophobicContact CB-CE1 4.4Å; R512-F547 HydrophobicContact CG-CE1 4.47Å; F547-W604 VanDerWaalsContact O-CA 3.22Å; F547-W604 WeakPolarHBondContact O-CA 3.41Å; F547-W604 WeakPolarHBondContact O-CB 3.13Å; F547-L605 PolarHBondContact N-O 3.31Å; F547-L605 PolarHBondContact O-N 3.47Å; F547-L605 VanDerWaalsContact O-N 3.1Å; F547-D607 HydrophobicContact CD2-CB 4.42Å; F547-D607 HydrophobicContact CE1-CB 4.35Å; F547-D607 HydrophobicContact CE2-CB 3.63Å; F547-D607 HydrophobicContact CZ-CB 3.59Å; F547-D607 VanDerWaalsContact CZ-CG 3.49Å; F547-L615 HydrophobicContact CD2-CD1 4.37Å; F547-L615 HydrophobicContact CE2-CD1 4.45Å
548V96.8Very high93.2Very high0 Ų033.1 Ų33.10%017%0.173CC..EExtended strand (participates in β ladder)trans-131.7159.9168.7-590000109.1L510 V511 V513 A553 F564 I602 W604L510-V548 CarbonylContact C-O 3.51Å; L510-V548 WeakPolarHBondContact CA-O 3.21Å; V511-V548 HydrophobicContact CB-CG2 4.04Å; V511-V548 PolarHBondContact N-O 2.9Å; V511-V548 PolarHBondContact O-N 3.35Å; V513-V548 HydrophobicContact CG2-CB 4.43Å; V513-V548 HydrophobicContact CG2-CG1 3.92Å; V513-V548 HydrophobicContact CG2-CG2 3.66Å; V548-A553 HydrophobicContact CG2-CB 4.19Å; V548-F564 HydrophobicContact CG1-CE1 3.95Å; V548-F564 HydrophobicContact CG1-CZ 4.24Å; V548-I602 HydrophobicContact CG1-CD1 3.76Å; V548-W604 HydrophobicContact CG1-CB 4.06Å
549E95.1Very high93.5Very high11 Ų1134 Ų345%0.05119%0.192CC..EExtended strand (participates in β ladder)trans-70.9145.7177.3-65.4-177.4-173.600111.3L494 L495 L510 A551 D552 A553 R672L494-E549 WeakPolarHBondContact CA-OE1 3.2Å; L494-E549 HydrophobicContact CB-CG 4.03Å; L494-E549 HydrophobicContact CD2-CG 4.11Å; L495-E549 PolarHBondContact N-OE1 2.83Å; L510-E549 HydrophobicContact CD2-CG 4.17Å; E549-A551 PolarHBondContact O-N 3.47Å; E549-D552 PolarHBondContact O-N 2.88Å; E549-D552 VanDerWaalsContact O-N 3.1Å; E549-A553 PolarHBondContact O-N 2.91Å; E549-R672 VanDerWaalsContact CD-NH2 3.26Å; E549-R672 IonicContact OE1-CZ 2.81Å; E549-R672 IonicContact OE1-NE 3.75Å; E549-R672 IonicContact OE1-NH2 3.53Å; E549-R672 PolarHBondContact OE1-NH2 2.74Å; E549-R672 IonicContact OE2-NH2 3.6Å; E549-R672 PolarHBondContact OE2-NH2 3.01Å; E549-R672 VanDerWaalsContact OE2-NH2 3.08Å
550Q93.3Very high93.7Very high20 Ų2036 Ų369%0.09320%0.195CC..Hα-helixtrans-51.9-42.1176.1-174.870.48.800112.3G509 D552 A553 L554 L581 I582G509-Q550 WeakPolarHBondContact O-CB 3.37Å; G509-Q550 PolarHBondContact O-N 3.43Å; Q550-D552 PolarHBondContact O-N 3.47Å; Q550-A553 PolarHBondContact O-N 3.42Å; Q550-L554 HydrophobicContact CG-CD1 4.36Å; Q550-L554 VanDerWaalsContact O-CG 3.3Å; Q550-L554 WeakPolarHBondContact O-CG 3.41Å; Q550-L554 PolarHBondContact O-N 2.9Å; Q550-L581 HydrophobicContact CG-CD2 4.43Å; Q550-L581 VanDerWaalsContact NE2-CD2 3.33Å; Q550-I582 PolarHBondContact NE2-O 3.37Å; Q550-I582 PolarHBondContact OE1-O 3.49Å
551A90.6Very high94Very high21 Ų2136.7 Ų36.717%0.17420%0.199CC..Hα-helixtrans-60.9-42.1179.600000113.3E549 C555 I711E549-A551 PolarHBondContact O-N 3.47Å; A551-C555 PolarHBondContact O-SG 3.25Å; A551-C555 VanDerWaalsContact O-SG 3.39Å; A551-I711 HydrophobicContact CB-CB 4.08Å; A551-I711 HydrophobicContact CB-CD1 3.85Å; A551-I711 HydrophobicContact CB-CG1 3.83Å; A551-I711 HydrophobicContact CB-CG2 3.21Å
552D94.6Very high94.4Very high6 Ų634.3 Ų34.33%0.03219%0.187CC..Hα-helixtrans-68.3-45.6176.3-74.8-28.6000110.9E549 Q550 L554 C555 F556 I602 R671E549-D552 PolarHBondContact O-N 2.88Å; E549-D552 VanDerWaalsContact O-N 3.1Å; Q550-D552 PolarHBondContact O-N 3.47Å; D552-L554 PolarHBondContact O-N 3.49Å; D552-C555 WeakPolarHBondContact O-CB 3.35Å; D552-C555 PolarHBondContact O-N 2.75Å; D552-F556 HydrophobicContact CB-CE1 4.45Å; D552-F556 WeakPolarHBondContact O-CD1 3.32Å; D552-F556 VanDerWaalsContact O-CE1 3.29Å; D552-F556 WeakPolarHBondContact O-CE1 3.44Å; D552-I602 HydrophobicContact CB-CG2 3.97Å; D552-R671 IonicContact OD1-CZ 3.12Å; D552-R671 IonicContact OD1-NH1 2.73Å; D552-R671 PolarHBondContact OD1-NH1 3.08Å; D552-R671 IonicContact OD1-NH2 3.91Å; D552-R671 PolarHBondContact OD1-NH2 3.16Å; D552-R671 IonicContact OD2-CZ 3.39Å; D552-R671 IonicContact OD2-NH1 3.71Å; D552-R671 PolarHBondContact OD2-NH1 3.37Å; D552-R671 IonicContact OD2-NH2 2.61Å
553A94.4Very high94.6Very high0 Ų034.1 Ų34.10%019%0.186CC..Hα-helixtrans-55.4-41177.700000111.4V511 V548 E549 Q550 C555 F556 I582 I585V511-A553 HydrophobicContact CB-CB 4.11Å; V511-A553 HydrophobicContact CG1-CB 4.3Å; V511-A553 HydrophobicContact CG2-CB 3.78Å; V548-A553 HydrophobicContact CG2-CB 4.19Å; E549-A553 PolarHBondContact O-N 2.91Å; Q550-A553 PolarHBondContact O-N 3.42Å; A553-C555 PolarHBondContact O-N 3.36Å; A553-C555 VanDerWaalsContact O-N 3.17Å; A553-F556 WeakPolarHBondContact O-CB 3.38Å; A553-F556 PolarHBondContact O-N 2.88Å; A553-I582 HydrophobicContact CB-CB 4.34Å; A553-I582 HydrophobicContact CB-CD1 3.94Å; A553-I582 HydrophobicContact CB-CG2 4.27Å; A553-I582 WeakPolarHBondContact O-CD1 3.42Å; A553-I585 HydrophobicContact CB-CD1 3.73Å
554L93.7Very high94.8Very high72 Ų7234.1 Ų34.138%0.37719%0.186SC..Hα-helixtrans-60.9-24.2178.9-75.8169.8000113.5Q550 D552 Q580 I582Q550-L554 HydrophobicContact CG-CD1 4.36Å; Q550-L554 VanDerWaalsContact O-CG 3.3Å; Q550-L554 WeakPolarHBondContact O-CG 3.41Å; Q550-L554 PolarHBondContact O-N 2.9Å; D552-L554 PolarHBondContact O-N 3.49Å; L554-Q580 WeakPolarHBondContact CD2-O 3.33Å; L554-I582 HydrophobicContact CD2-CD1 4.13Å; L554-I582 HydrophobicContact CD2-CG1 4.27Å; L554-I582 HydrophobicContact CG-CD1 4.45Å
555C94.3Very high94.8Very high76 Ų7634.3 Ų34.351%0.51419%0.185SC..THydrogen-bonded Turntrans-85.6-9.6178.4-610000113.2A551 D552 A553 L600A551-C555 PolarHBondContact O-SG 3.25Å; A551-C555 VanDerWaalsContact O-SG 3.39Å; D552-C555 WeakPolarHBondContact O-CB 3.35Å; D552-C555 PolarHBondContact O-N 2.75Å; A553-C555 PolarHBondContact O-N 3.36Å; A553-C555 VanDerWaalsContact O-N 3.17Å; C555-L600 HydrophobicContact CB-CD2 3.78Å
556F95.8Very high94.8Very high4 Ų435.1 Ų35.12%0.01819%0.191CC..  trans-74.2147.3-177.8-68.87.4000111.5D552 A553 V562 I572 I575 I585 L600 I602D552-F556 HydrophobicContact CB-CE1 4.45Å; D552-F556 WeakPolarHBondContact O-CD1 3.32Å; D552-F556 VanDerWaalsContact O-CE1 3.29Å; D552-F556 WeakPolarHBondContact O-CE1 3.44Å; A553-F556 WeakPolarHBondContact O-CB 3.38Å; A553-F556 PolarHBondContact O-N 2.88Å; F556-V562 HydrophobicContact CD1-CG1 4.48Å; F556-V562 HydrophobicContact CD1-CG2 3.99Å; F556-V562 HydrophobicContact CE1-CG1 3.78Å; F556-V562 HydrophobicContact CE1-CG2 4.1Å; F556-V562 HydrophobicContact CG-CG2 4.28Å; F556-V562 HydrophobicContact CZ-CG1 3.89Å; F556-V562 HydrophobicContact CZ-CG2 4.48Å; F556-I572 HydrophobicContact CB-CG1 4.39Å; F556-I572 HydrophobicContact CD2-CD1 3.63Å; F556-I572 HydrophobicContact CD2-CG1 4.08Å; F556-I572 HydrophobicContact CE2-CD1 3.93Å; F556-I572 HydrophobicContact CG-CD1 4.36Å; F556-I572 HydrophobicContact CG-CG1 4.37Å; F556-I575 HydrophobicContact CB-CD1 3.86Å; F556-I575 VanDerWaalsContact O-CD1 3.28Å; F556-I575 WeakPolarHBondContact O-CD1 3.25Å; F556-I585 HydrophobicContact CD2-CD1 3.53Å; F556-I585 HydrophobicContact CD2-CG2 4.43Å; F556-I585 HydrophobicContact CE2-CD1 3.83Å; F556-I585 HydrophobicContact CG-CD1 4.5Å; F556-L600 HydrophobicContact CD1-CD2 3.83Å; F556-L600 HydrophobicContact CE1-CD2 3.86Å; F556-I602 HydrophobicContact CE1-CG1 4.47Å; F556-I602 HydrophobicContact CE1-CG2 3.99Å; F556-I602 HydrophobicContact CZ-CG1 4.12Å; F556-I602 HydrophobicContact CZ-CG2 4.4Å
557K94.9Very high94.6Very high124 Ų12435.6 Ų35.654%0.53919%0.192SC..  trans-128137.2172.9-60.9177.9-169.3162.60110G559 E560K557-G559 PolarHBondContact O-N 3.18Å; K557-E560 HydrophobicContact CB-CG 4.1Å; K557-E560 WeakPolarHBondContact CD-OE1 3.47Å; K557-E560 IonicContact NZ-OE1 3.13Å; K557-E560 PolarHBondContact O-N 3.29Å
558K95.1Very high94.5Very high134 Ų13435.6 Ų35.658%0.58319%0.194SC*.THydrogen-bonded Turntrans-57.9132.2175.7179.3167.4-178.4155.30110.5M573 D574K558-M573 WeakPolarHBondContact CD-O 3.45Å; K558-M573 WeakPolarHBondContact CE-O 3.27Å; K558-M573 WeakPolarHBondContact CG-O 3.5Å; K558-D574 IonicContact NZ-OD1 2.75Å; K558-D574 PolarHBondContact NZ-OD1 3.49Å; K558-D574 IonicContact NZ-OD2 2.77Å
559G92.3Very high94.5Very high49 Ų4935.6 Ų35.651%0.50519%0.194SC..THydrogen-bonded Turntrans90-13.8-17900000115.2K557 I572K557-G559 PolarHBondContact O-N 3.18Å; G559-I572 PolarHBondContact N-O 3.37Å
560E93.6Very high94.6Very high95 Ų9535 Ų3544%0.44419%0.191SC..  trans-86.6155.3-179.5-67.4-174.5170.100112.4K557 R571 I572K557-E560 HydrophobicContact CB-CG 4.1Å; K557-E560 WeakPolarHBondContact CD-OE1 3.47Å; K557-E560 IonicContact NZ-OE1 3.13Å; K557-E560 PolarHBondContact O-N 3.29Å; E560-R571 WeakPolarHBondContact O-CA 3.4Å; E560-I572 PolarHBondContact O-N 3.37Å
561N94.9Very high94.7Very high28 Ų2839.6 Ų39.615%0.1521%0.207CC..EExtended strand (participates in β ladder)trans-88.2133.1170.3-73.3-26.1000110.3L570 R571 N590 D593 T599N561-L570 CarbonylContact C-O 3.55Å; N561-L570 WeakPolarHBondContact CA-O 3.24Å; N561-R571 WeakPolarHBondContact OD1-CB 3.13Å; N561-N590 PolarHBondContact ND2-ND2 2.88Å; N561-N590 PolarHBondContact OD1-ND2 3.02Å; N561-N590 VanDerWaalsContact OD1-ND2 3.08Å; N561-D593 PolarHBondContact ND2-OD2 2.92Å; N561-T599 HydrophobicContact CB-CG2 3.9Å; N561-T599 WeakPolarHBondContact O-CG2 3.35Å
562V97.2Very high95.1Very high3 Ų338.6 Ų38.62%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-117.3134.2172.2177.90000108F556 F564 L570 I572 L600 I602F556-V562 HydrophobicContact CD1-CG1 4.48Å; F556-V562 HydrophobicContact CD1-CG2 3.99Å; F556-V562 HydrophobicContact CE1-CG1 3.78Å; F556-V562 HydrophobicContact CE1-CG2 4.1Å; F556-V562 HydrophobicContact CG-CG2 4.28Å; F556-V562 HydrophobicContact CZ-CG1 3.89Å; F556-V562 HydrophobicContact CZ-CG2 4.48Å; V562-F564 HydrophobicContact CB-CD2 4.5Å; V562-F564 HydrophobicContact CB-CE2 4.16Å; V562-F564 HydrophobicContact CG1-CD2 4.16Å; V562-F564 HydrophobicContact CG1-CE2 3.91Å; V562-L570 PolarHBondContact N-O 3.12Å; V562-L570 PolarHBondContact O-N 3.1Å; V562-I572 HydrophobicContact CB-CD1 4.3Å; V562-I572 HydrophobicContact CG2-CD1 3.97Å; V562-I572 HydrophobicContact CG2-CG1 3.74Å; V562-L600 HydrophobicContact CG1-CB 4.47Å; V562-L600 WeakPolarHBondContact CG1-O 3.43Å; V562-I602 HydrophobicContact CG1-CG1 3.69Å; V562-I602 HydrophobicContact CG1-CG2 4.26Å
563T97.1Very high95.2Very high10 Ų1042.7 Ų42.76%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-88114.9176.8-57.10000110I565 N569 Y596 T599 L600 K601 I602T563-I565 PolarHBondContact O-N 2.88Å; T563-N569 WeakPolarHBondContact CA-OD1 3.34Å; T563-N569 WeakPolarHBondContact CB-OD1 3.1Å; T563-N569 PolarHBondContact OG1-OD1 3.43Å; T563-Y596 HydrophobicContact CG2-CD1 3.74Å; T563-Y596 HydrophobicContact CG2-CE1 4.3Å; T563-Y596 HydrophobicContact CG2-CG 4.45Å; T563-T599 WeakPolarHBondContact OG1-CB 3.31Å; T563-T599 PolarHBondContact OG1-OG1 3.48Å; T563-L600 PolarHBondContact N-O 2.86Å; T563-K601 HydrophobicContact CG2-CG 4.31Å; T563-K601 WeakPolarHBondContact O-CA 3.39Å; T563-I602 PolarHBondContact O-N 2.74Å
564F96.9Very high95.3Very high0 Ų045.4 Ų45.40%023%0.234CC..EExtended strand (participates in β ladder)trans-85.6111.8171.2-79.4-120.4000107V546 V548 V562 N566 W567 G568 L570 I602 W604V546-F564 HydrophobicContact CG2-CE1 3.95Å; V548-F564 HydrophobicContact CG1-CE1 3.95Å; V548-F564 HydrophobicContact CG1-CZ 4.24Å; V562-F564 HydrophobicContact CB-CD2 4.5Å; V562-F564 HydrophobicContact CB-CE2 4.16Å; V562-F564 HydrophobicContact CG1-CD2 4.16Å; V562-F564 HydrophobicContact CG1-CE2 3.91Å; F564-N566 PolarHBondContact O-N 3.45Å; F564-W567 HydrophobicContact CB-CB 3.89Å; F564-W567 PolarHBondContact O-N 3.02Å; F564-G568 PolarHBondContact N-O 2.99Å; F564-G568 PolarHBondContact O-N 3.37Å; F564-L570 HydrophobicContact CB-CD1 4.07Å; F564-L570 HydrophobicContact CD1-CD2 4.32Å; F564-L570 HydrophobicContact CD2-CB 4.03Å; F564-L570 HydrophobicContact CD2-CD1 3.97Å; F564-L570 HydrophobicContact CD2-CD2 4.04Å; F564-L570 HydrophobicContact CD2-CG 4.23Å; F564-L570 HydrophobicContact CE1-CD2 4.33Å; F564-L570 HydrophobicContact CE2-CB 4.05Å; F564-L570 HydrophobicContact CE2-CD2 4.05Å; F564-L570 HydrophobicContact CG-CD1 4.05Å; F564-L570 HydrophobicContact CG-CD2 4.2Å; F564-L570 HydrophobicContact CZ-CD2 4.21Å; F564-I602 HydrophobicContact CD1-CD1 3.65Å; F564-I602 HydrophobicContact CD2-CD1 3.97Å; F564-I602 HydrophobicContact CD2-CG1 4.22Å; F564-I602 HydrophobicContact CE1-CD1 3.65Å; F564-I602 HydrophobicContact CE2-CD1 3.97Å; F564-I602 HydrophobicContact CE2-CG1 4.22Å; F564-I602 HydrophobicContact CG-CD1 3.8Å; F564-I602 HydrophobicContact CG-CG1 4.46Å; F564-I602 HydrophobicContact CZ-CD1 3.81Å; F564-I602 HydrophobicContact CZ-CG1 4.47Å; F564-W604 HydrophobicContact CB-CG 4.38Å; F564-W604 HydrophobicContact CD1-CB 3.88Å; F564-W604 AromaticContact CD1-CD1 3.57Å; F564-W604 HydrophobicContact CD1-CD2 4.08Å; F564-W604 AromaticContact CD1-CG 3.53Å; F564-W604 HydrophobicContact CD1-CG 3.53Å; F564-W604 HydrophobicContact CE1-CB 4.15Å; F564-W604 HydrophobicContact CE1-CG 4.28Å; F564-W604 AromaticContact CG-CD1 3.98Å; F564-W604 HydrophobicContact CG-CG 4.38Å
565I94.4Very high95.5Very high34 Ų3443.3 Ų43.317%0.17422%0.222CC..THydrogen-bonded Turntrans-56.2136.6-171.8-65166.2000109.7T563 W567 K601 I602 T603 W604 R671T563-I565 PolarHBondContact O-N 2.88Å; I565-W567 PolarHBondContact O-N 3.41Å; I565-K601 HydrophobicContact CG1-CB 4.42Å; I565-I602 VanDerWaalsContact CG1-O 3.29Å; I565-I602 WeakPolarHBondContact CG1-O 3.24Å; I565-I602 PolarHBondContact N-O 2.8Å; I565-T603 HydrophobicContact CD1-CG2 4.14Å; I565-W604 PolarHBondContact O-NE1 2.91Å; I565-R671 HydrophobicContact CD1-CG 4.04Å
566N92.7Very high95.5Very high46 Ų4642.8 Ų42.825%0.24621%0.213CC..THydrogen-bonded Turntrans64.2-5.3-174.4-63.7-26.4000116.3K524 V526 I540 F564K524-N566 WeakPolarHBondContact CE-O 3.5Å; K524-N566 PolarHBondContact NZ-O 3.37Å; V526-N566 HydrophobicContact CG1-CB 3.95Å; I540-N566 HydrophobicContact CD1-CB 3.89Å; F564-N566 PolarHBondContact O-N 3.45Å
567W93.8Very high95.4Very high9 Ų948.9 Ų48.93%0.03424%0.235CC..THydrogen-bonded Turntrans-96.2-65.6170.5-160.7-30.7000111.7I515 Q518 K524 L542 G543 V546 F564 I565 L570 L589 W604I515-W567 HydrophobicContact CG1-CH2 4.41Å; I515-W567 HydrophobicContact CG2-CH2 4.27Å; I515-W567 HydrophobicContact CG2-CZ2 4.32Å; Q518-W567 HydrophobicContact CB-CH2 4.48Å; Q518-W567 HydrophobicContact CB-CZ2 4.2Å; Q518-W567 HydrophobicContact CG-CH2 4.07Å; Q518-W567 HydrophobicContact CG-CZ2 3.91Å; K524-W567 PolarHBondContact NZ-O 3.44Å; L542-W567 HydrophobicContact CB-CH2 3.91Å; L542-W567 HydrophobicContact CB-CZ2 3.85Å; L542-W567 HydrophobicContact CB-CZ3 4.28Å; L542-W567 HydrophobicContact CD1-CD2 4.38Å; L542-W567 HydrophobicContact CD1-CZ2 4.3Å; L542-W567 HydrophobicContact CD2-CD2 3.88Å; L542-W567 HydrophobicContact CD2-CE3 4.04Å; L542-W567 HydrophobicContact CD2-CG 4.19Å; L542-W567 HydrophobicContact CD2-CZ3 4.45Å; L542-W567 HydrophobicContact CG-CZ2 4.49Å; G543-W567 WeakPolarHBondContact O-CH2 3.45Å; V546-W567 HydrophobicContact CG1-CH2 4.46Å; V546-W567 HydrophobicContact CG1-CZ3 3.75Å; F564-W567 HydrophobicContact CB-CB 3.89Å; F564-W567 PolarHBondContact O-N 3.02Å; I565-W567 PolarHBondContact O-N 3.41Å; W567-L570 HydrophobicContact CG-CD1 4.44Å; W567-L589 HydrophobicContact CZ2-CD2 3.85Å; W567-W604 HydrophobicContact CB-CZ2 3.77Å; W567-W604 HydrophobicContact CD2-CH2 4.19Å; W567-W604 HydrophobicContact CD2-CZ2 4.17Å; W567-W604 HydrophobicContact CE3-CD2 4.15Å; W567-W604 AromaticContact CE3-CE2 3.88Å; W567-W604 AromaticContact CE3-CE3 3.98Å; W567-W604 HydrophobicContact CE3-CE3 3.98Å; W567-W604 AromaticContact CE3-CH2 3.32Å; W567-W604 HydrophobicContact CE3-CH2 3.32Å; W567-W604 AromaticContact CE3-CZ2 3.5Å; W567-W604 HydrophobicContact CE3-CZ2 3.5Å; W567-W604 VanDerWaalsContact CE3-CZ2 3.5Å; W567-W604 AromaticContact CE3-CZ3 3.54Å; W567-W604 HydrophobicContact CE3-CZ3 3.54Å; W567-W604 HydrophobicContact CG-CZ2 4.34Å; W567-W604 HydrophobicContact CZ3-CE3 4.08Å; W567-W604 AromaticContact CZ3-CH2 3.8Å; W567-W604 HydrophobicContact CZ3-CH2 3.8Å; W567-W604 HydrophobicContact CZ3-CZ2 4.39Å; W567-W604 AromaticContact CZ3-CZ3 3.6Å; W567-W604 HydrophobicContact CZ3-CZ3 3.6Å
568G93.4Very high94.9Very high5 Ų549.4 Ų49.45%0.05224%0.238CC..EExtended strand (participates in β ladder)trans144.7-165.8-171.600000112.1F564F564-G568 PolarHBondContact N-O 2.99Å; F564-G568 PolarHBondContact O-N 3.37Å
569N96.1Very high94.4Very high0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-84.7133.4178.2-79.1-21.6000111.8T563 N590 D593 D595T563-N569 WeakPolarHBondContact CA-OD1 3.34Å; T563-N569 WeakPolarHBondContact CB-OD1 3.1Å; T563-N569 PolarHBondContact OG1-OD1 3.43Å; N569-N590 CarbonylContact O-C 3.57Å; N569-N590 WeakPolarHBondContact O-CA 3.46Å; N569-N590 PolarHBondContact O-N 3.12Å; N569-D593 WeakPolarHBondContact CB-O 3.47Å; N569-D593 PolarHBondContact ND2-O 3.15Å; N569-D595 PolarHBondContact ND2-O 3.5Å
570L97.3Very high94Very high0 Ų051.3 Ų51.30%025%0.254CS..EExtended strand (participates in β ladder)trans-121.7133.8173.3-78.770.9000108.9I515 N561 V562 F564 W567 A587 C588 L589I515-L570 HydrophobicContact CD1-CD2 3.57Å; I515-L570 HydrophobicContact CG1-CD2 4.47Å; I515-L570 HydrophobicContact CG2-CD2 3.89Å; N561-L570 CarbonylContact C-O 3.55Å; N561-L570 WeakPolarHBondContact CA-O 3.24Å; V562-L570 PolarHBondContact N-O 3.12Å; V562-L570 PolarHBondContact O-N 3.1Å; F564-L570 HydrophobicContact CB-CD1 4.07Å; F564-L570 HydrophobicContact CD1-CD2 4.32Å; F564-L570 HydrophobicContact CD2-CB 4.03Å; F564-L570 HydrophobicContact CD2-CD1 3.97Å; F564-L570 HydrophobicContact CD2-CD2 4.04Å; F564-L570 HydrophobicContact CD2-CG 4.23Å; F564-L570 HydrophobicContact CE1-CD2 4.33Å; F564-L570 HydrophobicContact CE2-CB 4.05Å; F564-L570 HydrophobicContact CE2-CD2 4.05Å; F564-L570 HydrophobicContact CG-CD1 4.05Å; F564-L570 HydrophobicContact CG-CD2 4.2Å; F564-L570 HydrophobicContact CZ-CD2 4.21Å; W567-L570 HydrophobicContact CG-CD1 4.44Å; L570-A587 HydrophobicContact CB-CB 4.4Å; L570-A587 HydrophobicContact CD2-CB 4.37Å; L570-C588 CarbonylContact C-O 3.53Å; L570-C588 WeakPolarHBondContact CA-O 3.46Å; L570-L589 HydrophobicContact CD1-CD2 4.19Å; L570-L589 HydrophobicContact CD2-CD2 4.36Å; L570-L589 HydrophobicContact CG-CD2 4.08Å
571R96.3Very high93.7Very high116 Ų11650.2 Ų50.244%0.43825%0.251SS..EExtended strand (participates in β ladder)trans-86.7125175.9-176.5170.5-69.4173-0109.7E560 N561 M573 A587 C588 N590E560-R571 WeakPolarHBondContact O-CA 3.4Å; N561-R571 WeakPolarHBondContact OD1-CB 3.13Å; R571-M573 HydrophobicContact CG-SD 4.18Å; R571-M573 PolarHBondContact O-N 3.06Å; R571-A587 CarbonylContact O-C 3.18Å; R571-A587 VanDerWaalsContact O-CA 3.27Å; R571-A587 WeakPolarHBondContact O-CA 3.3Å; R571-C588 PolarHBondContact N-O 2.77Å; R571-C588 PolarHBondContact O-N 2.99Å; R571-N590 HydrophobicContact CB-CB 4.4Å
572I97.7Very high93.5Very high0 Ų048.9 Ų48.90%024%0.244CC..EExtended strand (participates in β ladder)trans-74.8116.3176.7-52.7-53.6000109F556 G559 E560 V562 I575 I585 A587F556-I572 HydrophobicContact CB-CG1 4.39Å; F556-I572 HydrophobicContact CD2-CD1 3.63Å; F556-I572 HydrophobicContact CD2-CG1 4.08Å; F556-I572 HydrophobicContact CE2-CD1 3.93Å; F556-I572 HydrophobicContact CG-CD1 4.36Å; F556-I572 HydrophobicContact CG-CG1 4.37Å; G559-I572 PolarHBondContact N-O 3.37Å; E560-I572 PolarHBondContact O-N 3.37Å; V562-I572 HydrophobicContact CB-CD1 4.3Å; V562-I572 HydrophobicContact CG2-CD1 3.97Å; V562-I572 HydrophobicContact CG2-CG1 3.74Å; I572-I575 HydrophobicContact CG2-CD1 3.98Å; I572-I575 HydrophobicContact CG2-CG1 3.67Å; I572-I585 HydrophobicContact CD1-CG2 4.31Å; I572-I585 HydrophobicContact CG2-CG2 3.97Å; I572-A587 HydrophobicContact CD1-CB 4.08Å
573M97.4Very high93.2Very high91 Ų9150.1 Ų50.145%0.44825%0.251SS..EExtended strand (participates in β ladder)trans-92.4-43.7-175.4-60.8-59.6-66.200111.6K558 R571 D586 C588K558-M573 WeakPolarHBondContact CD-O 3.45Å; K558-M573 WeakPolarHBondContact CE-O 3.27Å; K558-M573 WeakPolarHBondContact CG-O 3.5Å; R571-M573 HydrophobicContact CG-SD 4.18Å; R571-M573 PolarHBondContact O-N 3.06Å; M573-D586 WeakPolarHBondContact CA-O 3.45Å; M573-D586 HydrophobicContact CB-CB 4.23Å; M573-D586 WeakPolarHBondContact CB-O 3.1Å; M573-D586 PolarHBondContact N-O 2.82Å; M573-C588 HydrophobicContact CG-CB 3.74Å; M573-C588 HydrophobicContact SD-CB 3.93Å
574D97.2Very high93.2Very high58 Ų5850.9 Ų50.931%0.3126%0.257SS..EExtended strand (participates in β ladder)trans-152.4154.2176-140.24.3000112.1K558 H576 I585 D586K558-D574 IonicContact NZ-OD1 2.75Å; K558-D574 PolarHBondContact NZ-OD1 3.49Å; K558-D574 IonicContact NZ-OD2 2.77Å; D574-H576 IonicContact OD2-CE1 2.73Å; D574-I585 WeakPolarHBondContact O-CA 3.22Å; D574-I585 WeakPolarHBondContact O-CG2 3.37Å; D574-D586 HydrophobicContact CB-CB 4.2Å; D574-D586 PolarHBondContact N-O 3.4Å; D574-D586 VanDerWaalsContact N-O 3.08Å; D574-D586 PolarHBondContact O-N 3.5Å
575I97Very high93.2Very high27 Ų2750.9 Ų50.914%0.13826%0.257CS..EExtended strand (participates in β ladder)trans-129.4111.3-179.2-56.3175.1000108.2F556 I572 R577 I582 I585F556-I575 HydrophobicContact CB-CD1 3.86Å; F556-I575 VanDerWaalsContact O-CD1 3.28Å; F556-I575 WeakPolarHBondContact O-CD1 3.25Å; I572-I575 HydrophobicContact CG2-CD1 3.98Å; I572-I575 HydrophobicContact CG2-CG1 3.67Å; I575-R577 HydrophobicContact CG2-CG 4.28Å; I575-I582 HydrophobicContact CG2-CB 4.49Å; I575-I582 HydrophobicContact CG2-CD1 3.7Å; I575-I582 HydrophobicContact CG2-CG1 3.77Å; I575-I582 HydrophobicContact CG2-CG2 3.88Å; I575-I585 HydrophobicContact CG1-CG1 4.45Å; I575-I585 HydrophobicContact CG2-CG1 4.24Å
576H95.4Very high93.4Very high66 Ų6650.8 Ų50.831%0.30626%0.257SS..EExtended strand (participates in β ladder)trans-89.8126.7-178.7-57.3-69.7000110.3D574 I582 V583 S584 D586D574-H576 IonicContact OD2-CE1 2.73Å; H576-I582 WeakPolarHBondContact O-CA 3.2Å; H576-V583 HydrophobicContact CB-CG2 3.9Å; H576-V583 WeakPolarHBondContact O-CG2 3.42Å; H576-V583 PolarHBondContact O-N 2.87Å; H576-S584 WeakPolarHBondContact CB-O 3.39Å; H576-S584 PolarHBondContact CD2-OG 3.33Å; H576-S584 VanDerWaalsContact CD2-OG 3.29Å; H576-S584 PolarHBondContact N-O 3.23Å; H576-D586 IonicContact CD2-OD2 3.17Å; H576-D586 IonicContact CE1-OD2 3.71Å; H576-D586 IonicContact NE2-OD2 3.86Å; H576-D586 PolarHBondContact NE2-OD2 3.12Å
577R92.9Very high93.6Very high131 Ų13148.6 Ų48.649%0.49425%0.245SC..EExtended strand (participates in β ladder)trans-122.2146.2-175.2-64.4-178.5-178-134.6-1.6111.8I575 L581 I582I575-R577 HydrophobicContact CG2-CG 4.28Å; R577-L581 CarbonylContact C-O 3.57Å; R577-L581 VanDerWaalsContact CA-O 3.28Å; R577-L581 WeakPolarHBondContact CA-O 3.21Å; R577-I582 HydrophobicContact CG-CG1 3.97Å
578K84Confident93.7Very high136 Ų13650.3 Ų50.359%0.59126%0.258SS*.EExtended strand (participates in β ladder)trans-126.497.6168.2-173.4173.1173.4179.60108.1H503 L581 V583H503-K578 PolarHBondContact NE2-NZ 3.31Å; K578-L581 PolarHBondContact N-O 3.42Å; K578-L581 PolarHBondContact O-N 3.19Å; K578-V583 HydrophobicContact CB-CG1 3.63Å
579G85.6Confident93.8Very high69 Ų6952 Ų5271%0.71127%0.266SS*.THydrogen-bonded Turntrans67.9-128.9-168.500000111L581G579-L581 VanDerWaalsContact C-N 3.33Å
580Q83.1Confident93.7Very high154 Ų15453.6 Ų53.672%0.7227%0.274SS*.THydrogen-bonded Turntrans-82.7-11177.8-64.3-60.2-32.300113.4L554L554-Q580 WeakPolarHBondContact CD2-O 3.33Å
581L86.3Confident93.4Very high72 Ų7257.3 Ų57.338%0.37729%0.293SS..EExtended strand (participates in β ladder)trans-94.3139.6-175-62168.9000110.8Y500 Q550 R577 K578 G579Y500-L581 HydrophobicContact CD2-CD1 3.68Å; Y500-L581 HydrophobicContact CE2-CB 4.49Å; Y500-L581 HydrophobicContact CE2-CD1 3.75Å; Q550-L581 HydrophobicContact CG-CD2 4.43Å; Q550-L581 VanDerWaalsContact NE2-CD2 3.33Å; R577-L581 CarbonylContact C-O 3.57Å; R577-L581 VanDerWaalsContact CA-O 3.28Å; R577-L581 WeakPolarHBondContact CA-O 3.21Å; K578-L581 PolarHBondContact N-O 3.42Å; K578-L581 PolarHBondContact O-N 3.19Å; G579-L581 VanDerWaalsContact C-N 3.33Å
582I91.4Very high93.1Very high0 Ų060.7 Ų60.70%031%0.314CS..EExtended strand (participates in β ladder)trans-82.7133166.8-64.3169.3000108.2V511 Q550 A553 L554 I575 H576 R577 I585V511-I582 HydrophobicContact CG1-CG2 3.79Å; V511-I582 HydrophobicContact CG2-CB 4.49Å; V511-I582 HydrophobicContact CG2-CG2 4.42Å; Q550-I582 PolarHBondContact NE2-O 3.37Å; Q550-I582 PolarHBondContact OE1-O 3.49Å; A553-I582 HydrophobicContact CB-CB 4.34Å; A553-I582 HydrophobicContact CB-CD1 3.94Å; A553-I582 HydrophobicContact CB-CG2 4.27Å; A553-I582 WeakPolarHBondContact O-CD1 3.42Å; L554-I582 HydrophobicContact CD2-CD1 4.13Å; L554-I582 HydrophobicContact CD2-CG1 4.27Å; L554-I582 HydrophobicContact CG-CD1 4.45Å; I575-I582 HydrophobicContact CG2-CB 4.49Å; I575-I582 HydrophobicContact CG2-CD1 3.7Å; I575-I582 HydrophobicContact CG2-CG1 3.77Å; I575-I582 HydrophobicContact CG2-CG2 3.88Å; H576-I582 WeakPolarHBondContact O-CA 3.2Å; R577-I582 HydrophobicContact CG-CG1 3.97Å; I582-I585 HydrophobicContact CG2-CD1 4Å; I582-I585 HydrophobicContact CG2-CG1 3.77Å
583V91.8Very high92.6Very high29 Ų2963.2 Ų63.218%0.17633%0.328CS..EExtended strand (participates in β ladder)trans-105.7-35.4-178.5-670000112.2H503 H576 K578H503-V583 HydrophobicContact CB-CB 4.49Å; H576-V583 HydrophobicContact CB-CG2 3.9Å; H576-V583 WeakPolarHBondContact O-CG2 3.42Å; H576-V583 PolarHBondContact O-N 2.87Å; K578-V583 HydrophobicContact CB-CG1 3.63Å
584S95.5Very high92.1Very high25 Ų2563.5 Ų63.518%0.17534%0.335CS..EExtended strand (participates in β ladder)trans-157.9161173.859.30000110.9R512 H576R512-S584 VanDerWaalsContact O-CA 3.23Å; R512-S584 WeakPolarHBondContact O-CA 3.48Å; H576-S584 WeakPolarHBondContact CB-O 3.39Å; H576-S584 PolarHBondContact CD2-OG 3.33Å; H576-S584 VanDerWaalsContact CD2-OG 3.29Å; H576-S584 PolarHBondContact N-O 3.23Å
585I97.6Very high91.5Very high0 Ų064.1 Ų64.10%034%0.338CS..EExtended strand (participates in β ladder)trans-132.2139.6178.3-67.1157.7000108.7V511 R512 V513 H514 A553 F556 I572 D574 I575 I582V511-I585 HydrophobicContact CG1-CD1 4.04Å; V511-I585 HydrophobicContact CG1-CG1 4.31Å; R512-I585 PolarHBondContact O-N 3.49Å; V513-I585 CarbonylContact C-O 3.49Å; V513-I585 VanDerWaalsContact CA-O 3.31Å; V513-I585 WeakPolarHBondContact CA-O 3.49Å; V513-I585 HydrophobicContact CB-CB 4.46Å; V513-I585 HydrophobicContact CG1-CB 4.03Å; V513-I585 HydrophobicContact CG1-CG2 3.94Å; V513-I585 HydrophobicContact CG2-CB 4.19Å; V513-I585 HydrophobicContact CG2-CD1 4.32Å; H514-I585 PolarHBondContact N-O 2.92Å; A553-I585 HydrophobicContact CB-CD1 3.73Å; F556-I585 HydrophobicContact CD2-CD1 3.53Å; F556-I585 HydrophobicContact CD2-CG2 4.43Å; F556-I585 HydrophobicContact CE2-CD1 3.83Å; F556-I585 HydrophobicContact CG-CD1 4.5Å; I572-I585 HydrophobicContact CD1-CG2 4.31Å; I572-I585 HydrophobicContact CG2-CG2 3.97Å; D574-I585 WeakPolarHBondContact O-CA 3.22Å; D574-I585 WeakPolarHBondContact O-CG2 3.37Å; I575-I585 HydrophobicContact CG1-CG1 4.45Å; I575-I585 HydrophobicContact CG2-CG1 4.24Å; I582-I585 HydrophobicContact CG2-CD1 4Å; I582-I585 HydrophobicContact CG2-CG1 3.77Å
586D98Very high91Very high33 Ų3367.2 Ų67.218%0.17635%0.348CS..EExtended strand (participates in β ladder)trans-98.8124.3165.6-73.7-71.1000108.7H516 M573 D574 H576H516-D586 IonicContact CD2-OD1 3.81Å; H516-D586 IonicContact CE1-OD1 3.67Å; H516-D586 IonicContact NE2-OD1 2.79Å; H516-D586 PolarHBondContact NE2-OD1 3.25Å; M573-D586 WeakPolarHBondContact CA-O 3.45Å; M573-D586 HydrophobicContact CB-CB 4.23Å; M573-D586 WeakPolarHBondContact CB-O 3.1Å; M573-D586 PolarHBondContact N-O 2.82Å; D574-D586 HydrophobicContact CB-CB 4.2Å; D574-D586 PolarHBondContact N-O 3.4Å; D574-D586 VanDerWaalsContact N-O 3.08Å; D574-D586 PolarHBondContact O-N 3.5Å; H576-D586 IonicContact CD2-OD2 3.17Å; H576-D586 IonicContact CE1-OD2 3.71Å; H576-D586 IonicContact NE2-OD2 3.86Å; H576-D586 PolarHBondContact NE2-OD2 3.12Å
587A97.7Very high90.4Very high0 Ų073.3 Ų73.30%037%0.374CS..EExtended strand (participates in β ladder)trans-129.3150.9175.900000110.1V513 H514 I515 H516 L570 R571 I572V513-A587 HydrophobicContact CG1-CB 3.84Å; H514-A587 PolarHBondContact O-N 3.06Å; H514-A587 VanDerWaalsContact O-O 3.1Å; I515-A587 CarbonylContact C-O 3.57Å; I515-A587 WeakPolarHBondContact CA-O 3.34Å; I515-A587 HydrophobicContact CD1-CB 4.27Å; H516-A587 WeakPolarHBondContact CB-O 3.39Å; H516-A587 PolarHBondContact CD2-O 3.37Å; H516-A587 PolarHBondContact N-O 2.84Å; L570-A587 HydrophobicContact CB-CB 4.4Å; L570-A587 HydrophobicContact CD2-CB 4.37Å; R571-A587 CarbonylContact O-C 3.18Å; R571-A587 VanDerWaalsContact O-CA 3.27Å; R571-A587 WeakPolarHBondContact O-CA 3.3Å; I572-A587 HydrophobicContact CD1-CB 4.08Å
588C96.6Very high90Very high45 Ų4576 Ų7630%0.30439%0.389SS..EExtended strand (participates in β ladder)trans-118140.9177.3-171.60000110.2H516 L570 R571 M573 N590H516-C588 HydrophobicContact CB-CB 4.11Å; H516-C588 WeakPolarHBondContact O-CA 3.46Å; L570-C588 CarbonylContact C-O 3.53Å; L570-C588 WeakPolarHBondContact CA-O 3.46Å; R571-C588 PolarHBondContact N-O 2.77Å; R571-C588 PolarHBondContact O-N 2.99Å; M573-C588 HydrophobicContact CG-CB 3.74Å; M573-C588 HydrophobicContact SD-CB 3.93Å; C588-N590 PolarHBondContact O-N 3.23Å
589L95Very high90.2Very high41 Ų4170.7 Ų70.722%0.21537%0.369CS..EExtended strand (participates in β ladder)trans-58.6129.1174.9-67.2-177.5000110.8I515 H516 Q518 W567 L570 L591I515-L589 HydrophobicContact CG2-CD2 3.67Å; I515-L589 HydrophobicContact CG2-CG 3.99Å; H516-L589 PolarHBondContact O-N 2.83Å; Q518-L589 HydrophobicContact CB-CD1 4.16Å; W567-L589 HydrophobicContact CZ2-CD2 3.85Å; L570-L589 HydrophobicContact CD1-CD2 4.19Å; L570-L589 HydrophobicContact CD2-CD2 4.36Å; L570-L589 HydrophobicContact CG-CD2 4.08Å; L589-L591 HydrophobicContact CB-CG 4.37Å; L589-L591 HydrophobicContact CD1-CD1 4.42Å; L589-L591 HydrophobicContact CD2-CD2 4.37Å; L589-L591 HydrophobicContact CD2-CG 4.45Å
590N93.5Very high90.6Very high33 Ų3370.7 Ų70.718%0.17635%0.352CS..  trans-133.451.8174.1-172.925.6000109.9N561 N569 R571 C588 E592 D593N561-N590 PolarHBondContact ND2-ND2 2.88Å; N561-N590 PolarHBondContact OD1-ND2 3.02Å; N561-N590 VanDerWaalsContact OD1-ND2 3.08Å; N569-N590 CarbonylContact O-C 3.57Å; N569-N590 WeakPolarHBondContact O-CA 3.46Å; N569-N590 PolarHBondContact O-N 3.12Å; R571-N590 HydrophobicContact CB-CB 4.4Å; C588-N590 PolarHBondContact O-N 3.23Å; N590-E592 PolarHBondContact O-N 3.39Å; N590-D593 WeakPolarHBondContact ND2-CB 3.37Å; N590-D593 PolarHBondContact O-N 2.91Å
591L91Very high91.1Very high77 Ų7768.5 Ų68.540%0.40334%0.34SS..THydrogen-bonded Turntrans-70.5-17.7-170.6-56.3179.8000113.6L589 D593L589-L591 HydrophobicContact CB-CG 4.37Å; L589-L591 HydrophobicContact CD1-CD1 4.42Å; L589-L591 HydrophobicContact CD2-CD2 4.37Å; L589-L591 HydrophobicContact CD2-CG 4.45Å; L591-D593 VanDerWaalsContact C-N 3.26Å
592E89.9Confident91.6Very high188 Ų18865 Ų6588%0.87932%0.322SS*.THydrogen-bonded Turntrans-68.1-29.6174.2-57-176.6-155.700111.6N590 T594N590-E592 PolarHBondContact O-N 3.39Å; E592-T594 PolarHBondContact O-N 3.31Å
593D87.5Confident91.9Very high52 Ų5265.2 Ų65.228%0.27832%0.323SS..  trans-78.6104.1172.6-171.9-11.3000110.1N561 N569 N590 L591 D595N561-D593 PolarHBondContact ND2-OD2 2.92Å; N569-D593 WeakPolarHBondContact CB-O 3.47Å; N569-D593 PolarHBondContact ND2-O 3.15Å; N590-D593 WeakPolarHBondContact ND2-CB 3.37Å; N590-D593 PolarHBondContact O-N 2.91Å; L591-D593 VanDerWaalsContact C-N 3.26Å; D593-D595 WeakPolarHBondContact OD1-CB 3.48Å; D593-D595 PolarHBondContact OD1-N 3.49Å
594T86.7Confident92.1Very high97 Ų9764.6 Ų64.660%0.59532%0.317SS*.  trans-97.910.8179.355.50000113.3E592 Y596E592-T594 PolarHBondContact O-N 3.31Å; T594-Y596 WeakPolarHBondContact O-CD2 3.31Å; T594-Y596 PolarHBondContact O-N 3.36Å; T594-Y596 VanDerWaalsContact O-N 3.07Å
595D85Confident92.1Very high71 Ų7163.6 Ų63.638%0.3831%0.31SS..  trans-7695.9171.4-172.22.6000110.4N569 D593 K597 T599N569-D595 PolarHBondContact ND2-O 3.5Å; D593-D595 WeakPolarHBondContact OD1-CB 3.48Å; D593-D595 PolarHBondContact OD1-N 3.49Å; D595-K597 WeakPolarHBondContact OD1-CB 3.44Å; D595-K597 PolarHBondContact OD1-N 2.78Å; D595-T599 WeakPolarHBondContact O-CG2 2.94Å
596Y87.3Confident91.9Very high92 Ų9264.2 Ų64.236%0.36131%0.314SS..  trans-93.73.7174.5-47.9-58000113.6T563 T594 T599 K601T563-Y596 HydrophobicContact CG2-CD1 3.74Å; T563-Y596 HydrophobicContact CG2-CE1 4.3Å; T563-Y596 HydrophobicContact CG2-CG 4.45Å; T594-Y596 WeakPolarHBondContact O-CD2 3.31Å; T594-Y596 PolarHBondContact O-N 3.36Å; T594-Y596 VanDerWaalsContact O-N 3.07Å; Y596-T599 WeakPolarHBondContact CA-OG1 3.47Å; Y596-T599 PolarHBondContact O-OG1 3.17Å; Y596-K601 WeakPolarHBondContact O-CE 3.16Å; Y596-K601 PolarHBondContact O-NZ 2.8Å
597K82Confident91.6Very high194 Ų19463.5 Ų63.584%0.84331%0.31SS*.SBendtrans-82.9-32.2-172.6-70.4-176.8178.8177.10112.3D595D595-K597 WeakPolarHBondContact OD1-CB 3.44Å; D595-K597 PolarHBondContact OD1-N 2.78Å
598K83.4Confident90.8Very high188 Ų18864.3 Ų64.382%0.81732%0.315SS*.SBendtrans-107.54.8-174.8-64.4-178.3179.91770114.2
599T88.8Confident90Very high25 Ų2567.5 Ų67.515%0.15332%0.324CS..SBendtrans-99.5148-176.450.40000111.4N561 T563 D595 Y596N561-T599 HydrophobicContact CB-CG2 3.9Å; N561-T599 WeakPolarHBondContact O-CG2 3.35Å; T563-T599 WeakPolarHBondContact OG1-CB 3.31Å; T563-T599 PolarHBondContact OG1-OG1 3.48Å; D595-T599 WeakPolarHBondContact O-CG2 2.94Å; Y596-T599 WeakPolarHBondContact CA-OG1 3.47Å; Y596-T599 PolarHBondContact O-OG1 3.17Å
600L93.8Very high88.6Confident69 Ų6973.7 Ų73.736%0.36136%0.357SS..EExtended strand (participates in β ladder)trans-66.3132.1168.2179.965.6000109.1C555 F556 V562 T563 I602C555-L600 HydrophobicContact CB-CD2 3.78Å; F556-L600 HydrophobicContact CD1-CD2 3.83Å; F556-L600 HydrophobicContact CE1-CD2 3.86Å; V562-L600 HydrophobicContact CG1-CB 4.47Å; V562-L600 WeakPolarHBondContact CG1-O 3.43Å; T563-L600 PolarHBondContact N-O 2.86Å; L600-I602 HydrophobicContact CD2-CG2 4.14Å; L600-I602 HydrophobicContact CG-CG2 3.99Å
601K95.1Very high87.3Confident107 Ų10774 Ų7447%0.46536%0.362SS..EExtended strand (participates in β ladder)trans-105.7125179.9-66.1178.9-177.7177.80110.5T563 I565 Y596 R671T563-K601 HydrophobicContact CG2-CG 4.31Å; T563-K601 WeakPolarHBondContact O-CA 3.39Å; I565-K601 HydrophobicContact CG1-CB 4.42Å; Y596-K601 WeakPolarHBondContact O-CE 3.16Å; Y596-K601 PolarHBondContact O-NZ 2.8Å; K601-R671 PolarHBondContact O-NE 3.3Å
602I96.5Very high86.2Confident0 Ų078.2 Ų78.20%038%0.379CS..EExtended strand (participates in β ladder)trans-130.5157.1-176.263.488.1000112.8V548 D552 F556 V562 T563 F564 I565 L600 W604V548-I602 HydrophobicContact CG1-CD1 3.76Å; D552-I602 HydrophobicContact CB-CG2 3.97Å; F556-I602 HydrophobicContact CE1-CG1 4.47Å; F556-I602 HydrophobicContact CE1-CG2 3.99Å; F556-I602 HydrophobicContact CZ-CG1 4.12Å; F556-I602 HydrophobicContact CZ-CG2 4.4Å; V562-I602 HydrophobicContact CG1-CG1 3.69Å; V562-I602 HydrophobicContact CG1-CG2 4.26Å; T563-I602 PolarHBondContact O-N 2.74Å; F564-I602 HydrophobicContact CD1-CD1 3.65Å; F564-I602 HydrophobicContact CD2-CD1 3.97Å; F564-I602 HydrophobicContact CD2-CG1 4.22Å; F564-I602 HydrophobicContact CE1-CD1 3.65Å; F564-I602 HydrophobicContact CE2-CD1 3.97Å; F564-I602 HydrophobicContact CE2-CG1 4.22Å; F564-I602 HydrophobicContact CG-CD1 3.8Å; F564-I602 HydrophobicContact CG-CG1 4.46Å; F564-I602 HydrophobicContact CZ-CD1 3.81Å; F564-I602 HydrophobicContact CZ-CG1 4.47Å; I565-I602 VanDerWaalsContact CG1-O 3.29Å; I565-I602 WeakPolarHBondContact CG1-O 3.24Å; I565-I602 PolarHBondContact N-O 2.8Å; L600-I602 HydrophobicContact CD2-CG2 4.14Å; L600-I602 HydrophobicContact CG-CG2 3.99Å; I602-W604 HydrophobicContact CD1-CB 4.05Å; I602-W604 HydrophobicContact CD1-CG 4.44Å
603T96.1Very high85.5Confident3 Ų373.1 Ų73.12%0.01836%0.358CS..  trans-96148.6171.533.80000109.6T492 I565 Q670 R671T492-T603 HydrophobicContact CG2-CG2 3.94Å; I565-T603 HydrophobicContact CD1-CG2 4.14Å; T603-Q670 HydrophobicContact CG2-CB 3.67Å; T603-R671 HydrophobicContact CG2-CG 4.27Å; T603-R671 PolarHBondContact OG1-NH1 2.92Å; T603-R671 VanDerWaalsContact OG1-NH1 3.14Å
604W97Very high85.3Confident16 Ų1673.4 Ų73.46%0.06136%0.362CS..  trans-154.4158.1-172.957.9-81.7000110.1T492 I540 L542 V546 F547 V548 F564 I565 W567 I602 T606T492-W604 WeakPolarHBondContact CG2-O 3.44Å; I540-W604 HydrophobicContact CD1-CH2 4.24Å; I540-W604 HydrophobicContact CD1-CZ2 4.08Å; L542-W604 HydrophobicContact CD2-CH2 3.53Å; L542-W604 HydrophobicContact CD2-CZ2 4.12Å; V546-W604 HydrophobicContact CB-CE3 4.09Å; V546-W604 HydrophobicContact CG1-CE3 3.65Å; V546-W604 HydrophobicContact CG1-CZ3 3.97Å; F547-W604 VanDerWaalsContact O-CA 3.22Å; F547-W604 WeakPolarHBondContact O-CA 3.41Å; F547-W604 WeakPolarHBondContact O-CB 3.13Å; V548-W604 HydrophobicContact CG1-CB 4.06Å; F564-W604 HydrophobicContact CB-CG 4.38Å; F564-W604 HydrophobicContact CD1-CB 3.88Å; F564-W604 AromaticContact CD1-CD1 3.57Å; F564-W604 HydrophobicContact CD1-CD2 4.08Å; F564-W604 AromaticContact CD1-CG 3.53Å; F564-W604 HydrophobicContact CD1-CG 3.53Å; F564-W604 HydrophobicContact CE1-CB 4.15Å; F564-W604 HydrophobicContact CE1-CG 4.28Å; F564-W604 AromaticContact CG-CD1 3.98Å; F564-W604 HydrophobicContact CG-CG 4.38Å; I565-W604 PolarHBondContact O-NE1 2.91Å; W567-W604 HydrophobicContact CB-CZ2 3.77Å; W567-W604 HydrophobicContact CD2-CH2 4.19Å; W567-W604 HydrophobicContact CD2-CZ2 4.17Å; W567-W604 HydrophobicContact CE3-CD2 4.15Å; W567-W604 AromaticContact CE3-CE2 3.88Å; W567-W604 AromaticContact CE3-CE3 3.98Å; W567-W604 HydrophobicContact CE3-CE3 3.98Å; W567-W604 AromaticContact CE3-CH2 3.32Å; W567-W604 HydrophobicContact CE3-CH2 3.32Å; W567-W604 AromaticContact CE3-CZ2 3.5Å; W567-W604 HydrophobicContact CE3-CZ2 3.5Å; W567-W604 VanDerWaalsContact CE3-CZ2 3.5Å; W567-W604 AromaticContact CE3-CZ3 3.54Å; W567-W604 HydrophobicContact CE3-CZ3 3.54Å; W567-W604 HydrophobicContact CG-CZ2 4.34Å; W567-W604 HydrophobicContact CZ3-CE3 4.08Å; W567-W604 AromaticContact CZ3-CH2 3.8Å; W567-W604 HydrophobicContact CZ3-CH2 3.8Å; W567-W604 HydrophobicContact CZ3-CZ2 4.39Å; W567-W604 AromaticContact CZ3-CZ3 3.6Å; W567-W604 HydrophobicContact CZ3-CZ3 3.6Å; I602-W604 HydrophobicContact CD1-CB 4.05Å; I602-W604 HydrophobicContact CD1-CG 4.44Å; W604-T606 WeakPolarHBondContact CZ3-OG1 3.28Å
605L95.4Very high85.6Confident5 Ų569.7 Ų69.73%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-131.3135174.4-70.4174000109.8T492 L494 V546 F547 L615 L653 D655T492-L605 HydrophobicContact CG2-CD2 4.09Å; T492-L605 HydrophobicContact CG2-CG 4.38Å; L494-L605 HydrophobicContact CB-CD1 4.43Å; L494-L605 HydrophobicContact CD1-CB 4.01Å; L494-L605 HydrophobicContact CD1-CD1 4.04Å; L494-L605 HydrophobicContact CD1-CG 3.93Å; L494-L605 HydrophobicContact CG-CD1 3.86Å; L494-L605 HydrophobicContact CG-CG 3.95Å; V546-L605 CarbonylContact C-O 3.51Å; V546-L605 VanDerWaalsContact CA-O 3.27Å; V546-L605 WeakPolarHBondContact CA-O 3.47Å; V546-L605 WeakPolarHBondContact CB-O 3.42Å; F547-L605 PolarHBondContact N-O 3.31Å; F547-L605 PolarHBondContact O-N 3.47Å; F547-L605 VanDerWaalsContact O-N 3.1Å; L605-L615 HydrophobicContact CB-CD1 4.28Å; L605-L615 HydrophobicContact CB-CD2 4.31Å; L605-L615 HydrophobicContact CD1-CD1 4.34Å; L605-L615 HydrophobicContact CD1-CD2 4.36Å; L605-L615 HydrophobicContact CD2-CD2 4.33Å; L605-L653 HydrophobicContact CD1-CB 4.46Å; L605-L653 HydrophobicContact CD1-CG 4.45Å; L605-L653 WeakPolarHBondContact CD1-O 3.44Å; L605-D655 HydrophobicContact CD2-CB 4.14Å
606T93.9Very high86Confident12 Ų1266.3 Ų66.37%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-66.2134.9172.4-70.80000110Y521 L541 W604 P608Y521-T606 HydrophobicContact CD1-CG2 3.88Å; Y521-T606 HydrophobicContact CE1-CG2 3.57Å; L541-T606 HydrophobicContact CD2-CG2 4.11Å; L541-T606 HydrophobicContact CG-CG2 4.28Å; L541-T606 WeakPolarHBondContact O-CB 3.31Å; L541-T606 PolarHBondContact O-OG1 2.88Å; W604-T606 WeakPolarHBondContact CZ3-OG1 3.28Å; T606-P608 WeakPolarHBondContact O-CD 3.46Å
607D91.1Very high86.3Confident18 Ų1863.7 Ų63.710%0.09632%0.315CS..  trans-67.2112.3167.6-178.1-1000108.3R512 Y521 E545 F547 K609R512-D607 IonicContact CZ-OD2 3.57Å; R512-D607 IonicContact NH1-OD2 3.74Å; R512-D607 PolarHBondContact NH1-OD2 2.91Å; R512-D607 IonicContact NH2-OD2 2.7Å; R512-D607 PolarHBondContact NH2-OD2 3.33Å; Y521-D607 WeakPolarHBondContact CE1-O 3.46Å; Y521-D607 PolarHBondContact OH-O 2.9Å; Y521-D607 VanDerWaalsContact OH-O 3.08Å; E545-D607 HydrophobicContact CB-CB 4.36Å; E545-D607 PolarHBondContact O-N 2.96Å; F547-D607 HydrophobicContact CD2-CB 4.42Å; F547-D607 HydrophobicContact CE1-CB 4.35Å; F547-D607 HydrophobicContact CE2-CB 3.63Å; F547-D607 HydrophobicContact CZ-CB 3.59Å; F547-D607 VanDerWaalsContact CZ-CG 3.49Å; D607-K609 PolarHBondContact O-N 3.16Å; D607-K609 PolarHBondContact OD1-N 3.48Å
608P82.1Confident87Confident18 Ų1854.7 Ų54.712%0.11728%0.276CS..  trans-70.3-17.2-178.231.3-36.5000112.3T606 D610 S611 L615T606-P608 WeakPolarHBondContact O-CD 3.46Å; P608-D610 PolarHBondContact O-N 3.36Å; P608-S611 WeakPolarHBondContact O-CB 3.32Å; P608-S611 PolarHBondContact O-N 2.97Å; P608-L615 HydrophobicContact CG-CD1 4.47Å; P608-L615 HydrophobicContact CG-CG 4.06Å
609K78.9Confident87.6Confident111 Ų11146 Ų4648%0.48324%0.239SC..THydrogen-bonded Turntrans46.5-126.5-164.7-59.8-172.8-176.1-168.40110.3Y521 E545 D607 S611Y521-K609 WeakPolarHBondContact OH-CD 3.47Å; Y521-K609 WeakPolarHBondContact OH-CG 3.24Å; E545-K609 WeakPolarHBondContact OE2-CE 3.36Å; E545-K609 IonicContact OE2-NZ 3.72Å; E545-K609 PolarHBondContact OE2-NZ 3.32Å; D607-K609 PolarHBondContact O-N 3.16Å; D607-K609 PolarHBondContact OD1-N 3.48Å; K609-S611 VanDerWaalsContact C-N 3.25Å; K609-S611 PolarHBondContact O-N 3.39Å
610D66Low88Confident172 Ų17244.9 Ų44.992%0.9223%0.232SC*.THydrogen-bonded Turntrans-88.223.8177.8-57.2-44000113.1P608P608-D610 PolarHBondContact O-N 3.36Å
611S66.9Low88.1Confident39 Ų3942.2 Ų42.227%0.27322%0.218SC..  trans-63.6153.9176.8-178.90000112.3P608 K609 L613P608-S611 WeakPolarHBondContact O-CB 3.32Å; P608-S611 PolarHBondContact O-N 2.97Å; K609-S611 VanDerWaalsContact C-N 3.25Å; K609-S611 PolarHBondContact O-N 3.39Å; S611-L613 PolarHBondContact O-N 3.19Å; S611-L613 PolarHBondContact OG-N 3.1Å
612H66.8Low88.2Confident165 Ų16539.1 Ų39.176%0.76421%0.208SC*.SBendtrans-72.2-3.317655.1-80.2000113.8P614H612-P614 WeakPolarHBondContact O-CD 3.35Å
613L74.6Confident88.1Confident82 Ų8239.8 Ų39.843%0.42921%0.211SC..SBendtrans-118.481178.4-67173.4000110.3S611 P656S611-L613 PolarHBondContact O-N 3.19Å; S611-L613 PolarHBondContact OG-N 3.1Å; L613-P656 HydrophobicContact CB-CB 4.22Å; L613-P656 HydrophobicContact CB-CG 4.3Å
614P84.3Confident87.8Confident57 Ų5743.3 Ų43.337%0.3723%0.23SC..PPolyproline II helixtrans-66149.5178.228.5-34.8000111.2H612H612-P614 WeakPolarHBondContact O-CD 3.35Å
615L92.2Very high87.7Confident20 Ų2045.1 Ų45.111%0.10524%0.24CC..PPolyproline II helixtrans-64.8147.3169.6-62176.6000109.8F547 L605 P608 L653 P656F547-L615 HydrophobicContact CD2-CD1 4.37Å; F547-L615 HydrophobicContact CE2-CD1 4.45Å; L605-L615 HydrophobicContact CB-CD1 4.28Å; L605-L615 HydrophobicContact CB-CD2 4.31Å; L605-L615 HydrophobicContact CD1-CD1 4.34Å; L605-L615 HydrophobicContact CD1-CD2 4.36Å; L605-L615 HydrophobicContact CD2-CD2 4.33Å; P608-L615 HydrophobicContact CG-CD1 4.47Å; P608-L615 HydrophobicContact CG-CG 4.06Å; L615-L653 HydrophobicContact CB-CD1 3.65Å; L615-L653 HydrophobicContact CB-CD2 4.14Å; L615-L653 HydrophobicContact CB-CG 3.72Å; L615-L653 HydrophobicContact CD1-CD2 3.49Å; L615-L653 VanDerWaalsContact CD1-CD2 3.49Å; L615-L653 HydrophobicContact CD1-CG 3.86Å; L615-L653 HydrophobicContact CG-CD2 4.46Å; L615-L653 HydrophobicContact CG-CG 4.41Å; L615-P656 HydrophobicContact CD2-CG 4.21Å
616I93.1Very high87.4Confident0 Ų045.3 Ų45.30%024%0.242CC..EExtended strand (participates in β ladder)trans-97.9129.7-170.6-59.4-59.6000110.3G654 L658 R659 Y681 C694I616-G654 PolarHBondContact N-O 2.76Å; I616-G654 PolarHBondContact O-N 2.85Å; I616-L658 HydrophobicContact CB-CB 4.19Å; I616-L658 HydrophobicContact CG1-CB 4.35Å; I616-L658 HydrophobicContact CG2-CB 4.16Å; I616-R659 HydrophobicContact CD1-CB 4Å; I616-R659 HydrophobicContact CG1-CB 4.37Å; I616-Y681 HydrophobicContact CD1-CD1 4.49Å; I616-Y681 HydrophobicContact CD1-CD2 4.42Å; I616-Y681 HydrophobicContact CD1-CE1 4.38Å; I616-Y681 HydrophobicContact CD1-CE2 4.23Å; I616-Y681 HydrophobicContact CG2-CD2 3.62Å; I616-Y681 HydrophobicContact CG2-CE2 4.25Å; I616-Y681 HydrophobicContact CG2-CG 3.94Å; I616-C694 HydrophobicContact CG2-CB 4.43Å
617P93.5Very high87.4Confident37 Ų3744.9 Ų44.924%0.2424%0.239CC..EExtended strand (participates in β ladder)trans-69.2132.8169.628.1-32.7000110.4Y681 E691 P693 C694P617-Y681 HydrophobicContact CG-CD2 4.37Å; P617-Y681 HydrophobicContact CG-CE2 4.12Å; P617-E691 HydrophobicContact CG-CG 4.21Å; P617-P693 HydrophobicContact CB-CB 4.15Å; P617-P693 HydrophobicContact CG-CB 4.42Å; P617-P693 CarbonylContact O-C 3.54Å; P617-P693 WeakPolarHBondContact O-CA 3.1Å; P617-P693 VanDerWaalsContact O-CB 3.28Å; P617-P693 WeakPolarHBondContact O-CB 3.11Å; P617-C694 PolarHBondContact O-N 3.33Å
618V97Very high87.3Confident5 Ų549 Ų493%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-128.4134.3-177.1-178.30000109.4C651 L652 L658 C694 L696V618-C651 CarbonylContact O-C 3.38Å; V618-C651 WeakPolarHBondContact O-CA 3.48Å; V618-L652 HydrophobicContact CB-CB 4.19Å; V618-L652 PolarHBondContact N-O 2.82Å; V618-L652 PolarHBondContact O-N 3.23Å; V618-L658 HydrophobicContact CG2-CD1 3.6Å; V618-C694 CarbonylContact C-O 3.56Å; V618-C694 WeakPolarHBondContact CA-O 3.2Å; V618-C694 HydrophobicContact CG2-CB 4.44Å; V618-L696 HydrophobicContact CG1-CD1 3.61Å; V618-L696 HydrophobicContact CG1-CG 4Å
619S95.9Very high87.6Confident4 Ų450.2 Ų50.23%0.02826%0.264CS..EExtended strand (participates in β ladder)trans-109.6117.2168.6170.80000109E649 C694 V695 L696S619-E649 WeakPolarHBondContact CB-OE1 3.4Å; S619-E649 VanDerWaalsContact OG-CD 3.31Å; S619-E649 WeakPolarHBondContact OG-CG 3.3Å; S619-E649 PolarHBondContact OG-OE1 3.48Å; S619-C694 PolarHBondContact N-O 3.4Å; S619-V695 CarbonylContact O-C 3.6Å; S619-V695 WeakPolarHBondContact O-CA 3.46Å; S619-L696 PolarHBondContact O-N 3.37Å
620C97.4Very high88Confident2 Ų246.6 Ų46.61%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-100.9116.7175.7-77.70000110E649 Q650 L652 F675 L696C620-E649 WeakPolarHBondContact O-CA 3.49Å; C620-Q650 PolarHBondContact N-O 3.39Å; C620-Q650 PolarHBondContact O-N 3.47Å; C620-L652 HydrophobicContact CB-CD1 3.64Å; C620-L652 VanDerWaalsContact SG-CD1 3.53Å; C620-F675 HydrophobicContact CB-CD1 4.47Å; C620-F675 HydrophobicContact CB-CE1 3.86Å; C620-F675 VanDerWaalsContact SG-CE1 3.58Å; C620-L696 CarbonylContact C-O 3.58Å; C620-L696 WeakPolarHBondContact CA-O 3.2Å
621L96.9Very high88.9Confident13 Ų1341.1 Ų41.17%0.06823%0.225CC..EExtended strand (participates in β ladder)trans-95.8128176-58179.2000110.1Y623 K648 E649 V695 L696 I697 N698L621-Y623 HydrophobicContact CB-CE2 3.94Å; L621-Y623 HydrophobicContact CD1-CE2 4.48Å; L621-K648 CarbonylContact C-O 3.58Å; L621-K648 WeakPolarHBondContact CA-O 3.22Å; L621-E649 HydrophobicContact CD2-CB 3.74Å; L621-E649 HydrophobicContact CD2-CG 3.76Å; L621-V695 HydrophobicContact CD1-CG1 3.75Å; L621-V695 HydrophobicContact CG-CG1 4.16Å; L621-L696 PolarHBondContact N-O 2.77Å; L621-I697 HydrophobicContact CB-CG1 4.39Å; L621-I697 WeakPolarHBondContact O-CA 3.38Å; L621-N698 PolarHBondContact O-N 3.45Å
622T96.3Very high89.4Confident42 Ų4241.4 Ų41.426%0.25822%0.224SC..EExtended strand (participates in β ladder)trans-113.3128171-55.80000109K648 N698T622-K648 PolarHBondContact N-O 2.84Å; T622-K648 PolarHBondContact O-N 3.03Å; T622-N698 HydrophobicContact CG2-CB 4.47Å
623Y94.3Very high89.7Confident14 Ų1435.1 Ų35.16%0.05520%0.203CC..EExtended strand (participates in β ladder)trans-108.9129.1177.7-66.9-80.9000110.6P437 R438 L621 S646 K647 I697P437-Y623 HydrophobicContact CB-CD1 4.46Å; P437-Y623 HydrophobicContact CB-CD2 3.61Å; P437-Y623 HydrophobicContact CB-CE2 3.77Å; P437-Y623 HydrophobicContact CB-CG 3.98Å; P437-Y623 HydrophobicContact CG-CD2 3.97Å; P437-Y623 HydrophobicContact CG-CE1 4.43Å; P437-Y623 HydrophobicContact CG-CE2 3.56Å; R438-Y623 HydrophobicContact CG-CD1 3.58Å; R438-Y623 HydrophobicContact CG-CG 3.98Å; L621-Y623 HydrophobicContact CB-CE2 3.94Å; L621-Y623 HydrophobicContact CD1-CE2 4.48Å; Y623-S646 CarbonylContact C-O 3.55Å; Y623-S646 WeakPolarHBondContact CA-O 3.48Å; Y623-K647 HydrophobicContact CD1-CB 4.15Å; Y623-K647 HydrophobicContact CD1-CG 4.08Å; Y623-K647 HydrophobicContact CE1-CB 4.13Å; Y623-K647 HydrophobicContact CE1-CD 3.73Å; Y623-K647 HydrophobicContact CE1-CG 3.64Å; Y623-K647 WeakPolarHBondContact OH-CE 3.45Å; Y623-I697 HydrophobicContact CD2-CG2 3.68Å; Y623-I697 HydrophobicContact CE2-CB 4.49Å; Y623-I697 HydrophobicContact CE2-CD1 4.12Å; Y623-I697 HydrophobicContact CE2-CG1 4.02Å; Y623-I697 HydrophobicContact CE2-CG2 3.75Å
624D91Very high89.6Confident77 Ų7741.5 Ų41.541%0.41223%0.227SC..  trans-101.9171170.9-169.65.2000109.3R438 N643 S646R438-D624 WeakPolarHBondContact CG-O 3.48Å; D624-N643 PolarHBondContact OD2-ND2 2.84Å; D624-S646 PolarHBondContact N-O 3.38Å
625N93.3Very high89.3Confident54 Ų5446.6 Ų46.629%0.28925%0.251SS..  trans-61.7145.1-177.6-60.7-74.3000112.2N414 L627 N643N414-N625 HydrophobicContact CB-CB 3.67Å; N625-L627 PolarHBondContact O-N 2.89Å; N625-N643 WeakPolarHBondContact O-CB 3.46Å; N625-N643 PolarHBondContact O-ND2 3.04Å
626L91.1Very high88.7Confident10 Ų1047.6 Ų47.65%0.05226%0.257CS..SBendtrans-64.7-22.4176.7-73.8173.6000113.7F425 I430 V431 R438 M439 V642 N643F425-L626 HydrophobicContact CD2-CD1 4.16Å; F425-L626 HydrophobicContact CE1-CB 4.39Å; F425-L626 HydrophobicContact CE2-CD1 4.2Å; F425-L626 HydrophobicContact CG-CD1 4.35Å; F425-L626 HydrophobicContact CZ-CB 4.2Å; F425-L626 HydrophobicContact CZ-CD1 4.44Å; I430-L626 HydrophobicContact CG2-CD2 4.3Å; V431-L626 HydrophobicContact CG1-CD1 4.05Å; V431-L626 HydrophobicContact CG1-CD2 3.62Å; V431-L626 HydrophobicContact CG1-CG 4.47Å; R438-L626 HydrophobicContact CB-CD1 4.22Å; R438-L626 HydrophobicContact CB-CD2 3.81Å; R438-L626 HydrophobicContact CB-CG 3.71Å; R438-L626 HydrophobicContact CG-CD2 4.47Å; M439-L626 HydrophobicContact SD-CD1 3.99Å; L626-V642 CarbonylContact O-C 3.58Å; L626-V642 WeakPolarHBondContact O-CA 3.35Å; L626-N643 PolarHBondContact O-N 3.4Å
627L93.4Very high88.4Confident2 Ų251 Ų511%0.0128%0.275CS..BIsolated β-bridgetrans-120.4136179.8-60.6175.5000110.9N414 V416 F425 N625 K629 L632 Y641 V642N414-L627 WeakPolarHBondContact CB-O 3.49Å; N414-L627 PolarHBondContact ND2-O 2.91Å; N414-L627 WeakPolarHBondContact O-CB 3.32Å; V416-L627 HydrophobicContact CG1-CD1 3.93Å; F425-L627 HydrophobicContact CZ-CD2 4.04Å; N625-L627 PolarHBondContact O-N 2.89Å; L627-K629 VanDerWaalsContact C-N 3.29Å; L627-L632 HydrophobicContact CD1-CD1 3.89Å; L627-L632 HydrophobicContact CD1-CG 4.49Å; L627-Y641 CarbonylContact C-O 3.59Å; L627-Y641 VanDerWaalsContact CA-O 3.3Å; L627-Y641 WeakPolarHBondContact CA-O 3.43Å; L627-V642 HydrophobicContact CD2-CG2 4.33Å
628N88.6Confident88.2Confident105 Ų10549.8 Ų49.856%0.56127%0.266SS*.SBendtrans-78.5-15.2172.1-70.7-30.6000112.7Y641 N643N628-Y641 PolarHBondContact N-O 2.9Å; N628-N643 VanDerWaalsContact OD1-CB 3.24Å; N628-N643 WeakPolarHBondContact OD1-CB 3.16Å; N628-N643 PolarHBondContact OD1-ND2 3.45Å
629K89Confident87.9Confident44 Ų4454.1 Ų54.119%0.19129%0.285CS..  trans-100.4117.2-179.7-169.5171.7-172.1178.70110.2L627 I631 L632 D636 Y641L627-K629 VanDerWaalsContact C-N 3.29Å; K629-I631 VanDerWaalsContact C-N 3.31Å; K629-I631 VanDerWaalsContact CE-O 3.26Å; K629-I631 WeakPolarHBondContact CE-O 3.43Å; K629-I631 WeakPolarHBondContact CG-O 3.4Å; K629-I631 PolarHBondContact O-N 3.11Å; K629-L632 HydrophobicContact CD-CD2 4.24Å; K629-D636 WeakPolarHBondContact CE-OD2 3.46Å; K629-D636 IonicContact NZ-OD1 2.63Å; K629-D636 PolarHBondContact NZ-OD1 3.25Å; K629-D636 IonicContact NZ-OD2 2.78Å; K629-D636 PolarHBondContact NZ-OD2 3.1Å; K629-Y641 HydrophobicContact CB-CD1 3.82Å; K629-Y641 HydrophobicContact CB-CD2 4.3Å; K629-Y641 HydrophobicContact CB-CE1 4.49Å; K629-Y641 HydrophobicContact CB-CG 3.7Å; K629-Y641 HydrophobicContact CD-CD1 3.77Å; K629-Y641 HydrophobicContact CD-CD2 3.81Å; K629-Y641 HydrophobicContact CD-CE1 3.62Å; K629-Y641 HydrophobicContact CD-CE2 3.64Å; K629-Y641 HydrophobicContact CD-CG 3.86Å; K629-Y641 HydrophobicContact CG-CD1 4.4Å; K629-Y641 HydrophobicContact CG-CG 4.45Å; K629-Y641 PolarHBondContact NZ-OH 3.42Å
630A85.6Confident87.6Confident35 Ų3560.4 Ų60.429%0.28932%0.317SS..SBendtrans-58.2-41.2-179.900000113Q413 N414Q413-A630 CarbonylContact C-O 3.5Å; Q413-A630 VanDerWaalsContact CA-O 3.28Å; Q413-A630 WeakPolarHBondContact CA-O 3.19Å; Q413-A630 HydrophobicContact CB-CB 4.36Å; N414-A630 PolarHBondContact N-O 3.48Å; N414-A630 WeakPolarHBondContact OD1-CA 3.35Å
631I85Confident87.2Confident57 Ų5763.5 Ų63.529%0.29233%0.329SS..  trans-134.3120.9-175.4-53.5175.2000110.6L470 K629 H980L470-I631 HydrophobicContact CD2-CD1 3.22Å; L470-I631 HydrophobicContact CD2-CG1 3.49Å; L470-I631 VanDerWaalsContact CD2-CG1 3.49Å; K629-I631 VanDerWaalsContact C-N 3.31Å; K629-I631 VanDerWaalsContact CE-O 3.26Å; K629-I631 WeakPolarHBondContact CE-O 3.43Å; K629-I631 WeakPolarHBondContact CG-O 3.4Å; K629-I631 PolarHBondContact O-N 3.11Å; I631-H980 WeakPolarHBondContact CD1-CE1 3.1Å; I631-H980 WeakPolarHBondContact CD1-NE2 3.36Å
632L77.4Confident86.9Confident45 Ų4563.7 Ų63.724%0.23633%0.33CS..  trans-86.5126.2172.9-62.3169.3000109.8V416 L627 K629 D636 F638 Y641V416-L632 HydrophobicContact CG1-CD1 3.49Å; V416-L632 VanDerWaalsContact CG1-CD1 3.49Å; L627-L632 HydrophobicContact CD1-CD1 3.89Å; L627-L632 HydrophobicContact CD1-CG 4.49Å; K629-L632 HydrophobicContact CD-CD2 4.24Å; L632-D636 HydrophobicContact CB-CB 4.44Å; L632-D636 HydrophobicContact CD2-CB 4.25Å; L632-F638 HydrophobicContact CD1-CB 3.57Å; L632-F638 HydrophobicContact CD2-CB 4.13Å; L632-Y641 HydrophobicContact CD2-CD2 3.59Å; L632-Y641 HydrophobicContact CD2-CE2 4.12Å; L632-Y641 HydrophobicContact CD2-CG 4.43Å
633G74.2Confident86.7Confident32 Ų3262.2 Ų62.233%0.3332%0.321SS..  trans-70.3169.7166.900000112.2D635 D636G633-D635 VanDerWaalsContact C-N 3.3Å; G633-D635 PolarHBondContact O-N 3.19Å; G633-D636 WeakPolarHBondContact CA-OD2 3.5Å; G633-D636 PolarHBondContact N-OD2 3.44Å; G633-D636 PolarHBondContact O-N 2.93Å
634K71.9Confident86Confident217 Ų21770.5 Ų70.594%0.94336%0.357SS*.THydrogen-bonded Turntrans-60.2-38.5-177-70.5-175.1178.2-179.40113
635D77.6Confident85.7Confident164 Ų16471.3 Ų71.388%0.87737%0.368SS*.THydrogen-bonded Turntrans-98.62.1-177.5-51.8-46.2000113.1G633 D637G633-D635 VanDerWaalsContact C-N 3.3Å; G633-D635 PolarHBondContact O-N 3.19Å; D635-D637 PolarHBondContact O-N 3.12Å
636D81.2Confident85.4Confident41 Ų4168.9 Ų68.922%0.21936%0.355CS..  trans-73.8123.9179-77.9-33000110.5K629 L632 G633 F638 Y641K629-D636 WeakPolarHBondContact CE-OD2 3.46Å; K629-D636 IonicContact NZ-OD1 2.63Å; K629-D636 PolarHBondContact NZ-OD1 3.25Å; K629-D636 IonicContact NZ-OD2 2.78Å; K629-D636 PolarHBondContact NZ-OD2 3.1Å; L632-D636 HydrophobicContact CB-CB 4.44Å; L632-D636 HydrophobicContact CD2-CB 4.25Å; G633-D636 WeakPolarHBondContact CA-OD2 3.5Å; G633-D636 PolarHBondContact N-OD2 3.44Å; G633-D636 PolarHBondContact O-N 2.93Å; D636-F638 PolarHBondContact O-N 3.25Å; D636-Y641 HydrophobicContact CB-CE2 4.09Å
637D86.6Confident85.3Confident71 Ų7172.6 Ų72.638%0.3837%0.371SS..  trans-77.3109.4166.9-169.7-2.6000109.9D635 K639 L640 Y641D635-D637 PolarHBondContact O-N 3.12Å; D637-K639 PolarHBondContact O-N 3.09Å; D637-K639 VanDerWaalsContact O-N 3.11Å; D637-K639 WeakPolarHBondContact OD1-CB 3.44Å; D637-K639 VanDerWaalsContact OD1-CG 3.25Å; D637-K639 WeakPolarHBondContact OD1-CG 3.36Å; D637-K639 PolarHBondContact OD1-N 3Å; D637-K639 VanDerWaalsContact OD1-N 3.15Å; D637-L640 HydrophobicContact CB-CD1 4.28Å; D637-L640 HydrophobicContact CB-CG 4.31Å; D637-L640 WeakPolarHBondContact O-CB 3.38Å; D637-L640 PolarHBondContact O-N 3.32Å; D637-L640 VanDerWaalsContact O-N 3.12Å; D637-Y641 WeakPolarHBondContact O-CD2 3.45Å
638F88Confident85.2Confident12 Ų1278.4 Ų78.45%0.05340%0.396CS..G310 helixtrans-57.4-26-179.878.4-77.2000113V416 K421 W424 F425 L632 D636 L640 Y641V416-F638 HydrophobicContact CG1-CB 4.42Å; K421-F638 HydrophobicContact CB-CE1 4.03Å; K421-F638 HydrophobicContact CB-CE2 4Å; K421-F638 HydrophobicContact CB-CZ 3.72Å; K421-F638 HydrophobicContact CD-CD1 3.61Å; K421-F638 HydrophobicContact CD-CD2 4.45Å; K421-F638 HydrophobicContact CD-CE1 3.79Å; K421-F638 HydrophobicContact CD-CG 3.97Å; K421-F638 HydrophobicContact CD-CZ 4.29Å; K421-F638 HydrophobicContact CG-CD1 3.92Å; K421-F638 HydrophobicContact CG-CE1 3.52Å; K421-F638 HydrophobicContact CG-CE2 4.37Å; K421-F638 HydrophobicContact CG-CG 4.5Å; K421-F638 HydrophobicContact CG-CZ 3.77Å; W424-F638 HydrophobicContact CB-CZ 4.26Å; W424-F638 HydrophobicContact CD2-CE2 4.2Å; W424-F638 AromaticContact CD2-CZ 3.88Å; W424-F638 HydrophobicContact CD2-CZ 3.88Å; W424-F638 AromaticContact CE3-CE2 3.51Å; W424-F638 HydrophobicContact CE3-CE2 3.51Å; W424-F638 AromaticContact CE3-CZ 3.69Å; W424-F638 HydrophobicContact CE3-CZ 3.69Å; W424-F638 HydrophobicContact CG-CZ 4.15Å; W424-F638 AromaticContact CZ3-CE2 3.96Å; W424-F638 HydrophobicContact CZ3-CE2 3.96Å; W424-F638 HydrophobicContact CZ3-CZ 4.41Å; F425-F638 HydrophobicContact CE1-CE2 4.45Å; F425-F638 HydrophobicContact CE2-CD2 4.26Å; F425-F638 AromaticContact CE2-CE2 3.99Å; F425-F638 HydrophobicContact CE2-CE2 3.99Å; F425-F638 AromaticContact CZ-CD2 3.95Å; F425-F638 HydrophobicContact CZ-CD2 3.95Å; F425-F638 AromaticContact CZ-CE2 3.9Å; F425-F638 HydrophobicContact CZ-CE2 3.9Å; L632-F638 HydrophobicContact CD1-CB 3.57Å; L632-F638 HydrophobicContact CD2-CB 4.13Å; D636-F638 PolarHBondContact O-N 3.25Å; F638-L640 PolarHBondContact O-N 3.42Å; F638-Y641 PolarHBondContact O-N 2.76Å
639K91.7Very high85.3Confident96 Ų9679.3 Ų79.342%0.41740%0.397SS..G310 helixtrans-61.1-26.3179.4-60.1176.8-176.3-173.30112.7W424 D637 Y641 V642W424-K639 HydrophobicContact CD2-CG 4.29Å; W424-K639 HydrophobicContact CE3-CG 4.43Å; W424-K639 HydrophobicContact CH2-CB 4.07Å; W424-K639 HydrophobicContact CH2-CD 4.43Å; W424-K639 HydrophobicContact CH2-CG 3.82Å; W424-K639 HydrophobicContact CZ2-CB 4.17Å; W424-K639 HydrophobicContact CZ2-CD 3.76Å; W424-K639 HydrophobicContact CZ2-CG 3.65Å; W424-K639 HydrophobicContact CZ3-CG 4.22Å; D637-K639 PolarHBondContact O-N 3.09Å; D637-K639 VanDerWaalsContact O-N 3.11Å; D637-K639 WeakPolarHBondContact OD1-CB 3.44Å; D637-K639 VanDerWaalsContact OD1-CG 3.25Å; D637-K639 WeakPolarHBondContact OD1-CG 3.36Å; D637-K639 PolarHBondContact OD1-N 3Å; D637-K639 VanDerWaalsContact OD1-N 3.15Å; K639-Y641 PolarHBondContact O-N 3.35Å; K639-V642 WeakPolarHBondContact O-CG2 3.23Å
640L88.3Confident85.5Confident135 Ų13579.7 Ų79.771%0.70740%0.4SS*.G310 helixtrans-75.5-12.8177.7-61.4176.5000113.3D637 F638D637-L640 HydrophobicContact CB-CD1 4.28Å; D637-L640 HydrophobicContact CB-CG 4.31Å; D637-L640 WeakPolarHBondContact O-CB 3.38Å; D637-L640 PolarHBondContact O-N 3.32Å; D637-L640 VanDerWaalsContact O-N 3.12Å; F638-L640 PolarHBondContact O-N 3.42Å
641Y90.3Very high85.9Confident67 Ų6781.3 Ų81.326%0.26341%0.408SS..G310 helixtrans-114.911.2-172.3-56.3-66000113.5L627 N628 K629 L632 D636 D637 F638 K639 N643L627-Y641 CarbonylContact C-O 3.59Å; L627-Y641 VanDerWaalsContact CA-O 3.3Å; L627-Y641 WeakPolarHBondContact CA-O 3.43Å; N628-Y641 PolarHBondContact N-O 2.9Å; K629-Y641 HydrophobicContact CB-CD1 3.82Å; K629-Y641 HydrophobicContact CB-CD2 4.3Å; K629-Y641 HydrophobicContact CB-CE1 4.49Å; K629-Y641 HydrophobicContact CB-CG 3.7Å; K629-Y641 HydrophobicContact CD-CD1 3.77Å; K629-Y641 HydrophobicContact CD-CD2 3.81Å; K629-Y641 HydrophobicContact CD-CE1 3.62Å; K629-Y641 HydrophobicContact CD-CE2 3.64Å; K629-Y641 HydrophobicContact CD-CG 3.86Å; K629-Y641 HydrophobicContact CG-CD1 4.4Å; K629-Y641 HydrophobicContact CG-CG 4.45Å; K629-Y641 PolarHBondContact NZ-OH 3.42Å; L632-Y641 HydrophobicContact CD2-CD2 3.59Å; L632-Y641 HydrophobicContact CD2-CE2 4.12Å; L632-Y641 HydrophobicContact CD2-CG 4.43Å; D636-Y641 HydrophobicContact CB-CE2 4.09Å; D637-Y641 WeakPolarHBondContact O-CD2 3.45Å; F638-Y641 PolarHBondContact O-N 2.76Å; K639-Y641 PolarHBondContact O-N 3.35Å; Y641-N643 PolarHBondContact O-N 3.27Å
642V91.1Very high86.4Confident17 Ų1778.6 Ų78.610%0.10339%0.394CS..BIsolated β-bridgetrans-64.6126.9-179.9-179.90000111W424 F425 I430 L626 L627 K639 K644W424-V642 HydrophobicContact CH2-CG2 4.19Å; W424-V642 HydrophobicContact CZ3-CG2 3.92Å; F425-V642 HydrophobicContact CE1-CG1 4.11Å; F425-V642 HydrophobicContact CE1-CG2 3.79Å; F425-V642 HydrophobicContact CZ-CG2 4.42Å; I430-V642 HydrophobicContact CD1-CG1 4.47Å; I430-V642 HydrophobicContact CG2-CG1 3.87Å; L626-V642 CarbonylContact O-C 3.58Å; L626-V642 WeakPolarHBondContact O-CA 3.35Å; L627-V642 HydrophobicContact CD2-CG2 4.33Å; K639-V642 WeakPolarHBondContact O-CG2 3.23Å; V642-K644 PolarHBondContact O-N 3.16Å
643N90.1Very high87.3Confident12 Ų1277.7 Ų77.76%0.06439%0.389CS..  trans-79.7100.9174.3-174-2.3000110.5D624 N625 L626 N628 Y641 C645 S646D624-N643 PolarHBondContact OD2-ND2 2.84Å; N625-N643 WeakPolarHBondContact O-CB 3.46Å; N625-N643 PolarHBondContact O-ND2 3.04Å; L626-N643 PolarHBondContact O-N 3.4Å; N628-N643 VanDerWaalsContact OD1-CB 3.24Å; N628-N643 WeakPolarHBondContact OD1-CB 3.16Å; N628-N643 PolarHBondContact OD1-ND2 3.45Å; Y641-N643 PolarHBondContact O-N 3.27Å; N643-C645 VanDerWaalsContact C-N 3.27Å; N643-C645 PolarHBondContact O-N 3.41Å; N643-C645 PolarHBondContact OD1-N 3.45Å; N643-C645 VanDerWaalsContact OD1-N 3.09Å; N643-S646 WeakPolarHBondContact O-CB 3.36Å; N643-S646 PolarHBondContact O-OG 3.45Å; N643-S646 PolarHBondContact OD1-N 3.27Å
644K81.6Confident88.2Confident187 Ų18776.2 Ų76.281%0.81337%0.374SS*.THydrogen-bonded Turntrans-72.9-15.9-179.5-62-171.9178.6-173.30114.1V642V642-K644 PolarHBondContact O-N 3.16Å
645C83Confident89.2Confident94 Ų9466.8 Ų66.864%0.63533%0.334SS*.THydrogen-bonded Turntrans-114.232.5-178.5-59.60000111.5N643 K647N643-C645 VanDerWaalsContact C-N 3.27Å; N643-C645 PolarHBondContact O-N 3.41Å; N643-C645 PolarHBondContact OD1-N 3.45Å; N643-C645 VanDerWaalsContact OD1-N 3.09Å; C645-K647 PolarHBondContact O-N 2.9Å
646S88.5Confident89.8Confident3 Ų360.6 Ų60.62%0.02130%0.302CS..  trans-793.5-17548.20000114.8R438 Y623 D624 N643R438-S646 PolarHBondContact NH1-OG 3.3Å; Y623-S646 CarbonylContact C-O 3.55Å; Y623-S646 WeakPolarHBondContact CA-O 3.48Å; D624-S646 PolarHBondContact N-O 3.38Å; N643-S646 WeakPolarHBondContact O-CB 3.36Å; N643-S646 PolarHBondContact O-OG 3.45Å; N643-S646 PolarHBondContact OD1-N 3.27Å
647K89.1Confident90.1Very high88 Ų8860.7 Ų60.738%0.38330%0.303SS..EExtended strand (participates in β ladder)trans-129.4124.3176.7-177.8178.9-1741710108.1D432 Y623 C645D432-K647 IonicContact OD2-NZ 2.79Å; D432-K647 PolarHBondContact OD2-NZ 3Å; Y623-K647 HydrophobicContact CD1-CB 4.15Å; Y623-K647 HydrophobicContact CD1-CG 4.08Å; Y623-K647 HydrophobicContact CE1-CB 4.13Å; Y623-K647 HydrophobicContact CE1-CD 3.73Å; Y623-K647 HydrophobicContact CE1-CG 3.64Å; Y623-K647 WeakPolarHBondContact OH-CE 3.45Å; C645-K647 PolarHBondContact O-N 2.9Å
648K90.2Very high90.4Very high124 Ų12457.3 Ų57.354%0.53929%0.285SS..EExtended strand (participates in β ladder)trans-125.8143.8176.4-64.4176.5-174.41680109L621 T622L621-K648 CarbonylContact C-O 3.58Å; L621-K648 WeakPolarHBondContact CA-O 3.22Å; T622-K648 PolarHBondContact N-O 2.84Å; T622-K648 PolarHBondContact O-N 3.03Å
649E91.4Very high90.5Very high124 Ų12461 Ų6158%0.57930%0.298SS*.EExtended strand (participates in β ladder)trans-122.8135.4178.9179.6170.6-167.200109.2S619 C620 L621S619-E649 WeakPolarHBondContact CB-OE1 3.4Å; S619-E649 VanDerWaalsContact OG-CD 3.31Å; S619-E649 WeakPolarHBondContact OG-CG 3.3Å; S619-E649 PolarHBondContact OG-OE1 3.48Å; C620-E649 WeakPolarHBondContact O-CA 3.49Å; L621-E649 HydrophobicContact CD2-CB 3.74Å; L621-E649 HydrophobicContact CD2-CG 3.76Å
650Q93Very high90.4Very high53 Ų5363.4 Ų63.425%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-124.4132.5172.8-72.4-176.9-22.500108.9L495 C620 L652 N708L495-Q650 HydrophobicContact CD1-CB 3.87Å; L495-Q650 HydrophobicContact CD1-CG 4.17Å; C620-Q650 PolarHBondContact N-O 3.39Å; C620-Q650 PolarHBondContact O-N 3.47Å; Q650-L652 HydrophobicContact CB-CD1 4.19Å; Q650-L652 WeakPolarHBondContact O-CD1 3.48Å; Q650-N708 PolarHBondContact NE2-OD1 3.04Å
651C93.9Very high90.7Very high68 Ų6857.7 Ų57.746%0.45928%0.282SS..EExtended strand (participates in β ladder)trans-93.6131.2175.6-590000109.7L496 V618L496-C651 WeakPolarHBondContact CB-O 3.3Å; L496-C651 PolarHBondContact N-O 3.11Å; V618-C651 CarbonylContact O-C 3.38Å; V618-C651 WeakPolarHBondContact O-CA 3.48Å
652L95.9Very high90.8Very high1 Ų161.6 Ų61.61%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-126.2158.3178.2-59.484.3000110.2A493 L494 V618 C620 Q650A493-L652 HydrophobicContact CB-CB 4Å; A493-L652 HydrophobicContact CB-CD2 3.73Å; L494-L652 CarbonylContact O-C 3.6Å; L494-L652 WeakPolarHBondContact O-CA 3.33Å; L494-L652 VanDerWaalsContact O-CB 3.32Å; L494-L652 WeakPolarHBondContact O-CB 3.49Å; V618-L652 HydrophobicContact CB-CB 4.19Å; V618-L652 PolarHBondContact N-O 2.82Å; V618-L652 PolarHBondContact O-N 3.23Å; C620-L652 HydrophobicContact CB-CD1 3.64Å; C620-L652 VanDerWaalsContact SG-CD1 3.53Å; Q650-L652 HydrophobicContact CB-CD1 4.19Å; Q650-L652 WeakPolarHBondContact O-CD1 3.48Å
653L95Very high90.9Very high26 Ų2667.7 Ų67.714%0.13633%0.325CS..EExtended strand (participates in β ladder)trans-103.3126.8164.1-16761.2000107.7A493 L494 L496 P507 L510 L605 L615A493-L653 CarbonylContact C-O 3.57Å; A493-L653 WeakPolarHBondContact CA-O 3.3Å; L494-L653 PolarHBondContact N-O 3.44Å; L494-L653 PolarHBondContact O-N 2.95Å; L496-L653 HydrophobicContact CD1-CB 4.39Å; L496-L653 HydrophobicContact CD2-CB 4.08Å; L496-L653 HydrophobicContact CG-CB 4.29Å; P507-L653 HydrophobicContact CB-CD2 4.39Å; P507-L653 HydrophobicContact CG-CD2 3.92Å; L510-L653 HydrophobicContact CD1-CD2 4.47Å; L605-L653 HydrophobicContact CD1-CB 4.46Å; L605-L653 HydrophobicContact CD1-CG 4.45Å; L605-L653 WeakPolarHBondContact CD1-O 3.44Å; L615-L653 HydrophobicContact CB-CD1 3.65Å; L615-L653 HydrophobicContact CB-CD2 4.14Å; L615-L653 HydrophobicContact CB-CG 3.72Å; L615-L653 HydrophobicContact CD1-CD2 3.49Å; L615-L653 VanDerWaalsContact CD1-CD2 3.49Å; L615-L653 HydrophobicContact CD1-CG 3.86Å; L615-L653 HydrophobicContact CG-CD2 4.46Å; L615-L653 HydrophobicContact CG-CG 4.41Å
654G94.4Very high91Very high0 Ų069.2 Ų69.20%034%0.343CS..EExtended strand (participates in β ladder)trans-117.3162-169.600000114I616I616-G654 PolarHBondContact N-O 2.76Å; I616-G654 PolarHBondContact O-N 2.85Å
655D91.6Very high91.7Very high20 Ų2063.6 Ų63.611%0.10732%0.322CS..  trans-55.2143.3173.2-165.6-66.3000111.3T492 L605 D657 L658T492-D655 PolarHBondContact O-N 3.04Å; L605-D655 HydrophobicContact CD2-CB 4.14Å; D655-D657 PolarHBondContact O-N 3.46Å; D655-D657 PolarHBondContact OD1-N 3.41Å; D655-D657 VanDerWaalsContact OD1-N 3.11Å; D655-L658 WeakPolarHBondContact O-CB 3.31Å; D655-L658 PolarHBondContact O-N 3.3Å; D655-L658 VanDerWaalsContact O-N 3.11Å
656P90.4Very high92.4Very high33 Ų3360.9 Ų60.921%0.21430%0.301CS..G310 helixtrans-52.7-26.8177.8-29.637.9000114.6L613 L615 L658 R659L613-P656 HydrophobicContact CB-CB 4.22Å; L613-P656 HydrophobicContact CB-CG 4.3Å; L615-P656 HydrophobicContact CD2-CG 4.21Å; P656-L658 PolarHBondContact O-N 3.34Å; P656-R659 WeakPolarHBondContact O-CB 3.36Å; P656-R659 PolarHBondContact O-N 3.44Å
657D88.4Confident92.8Very high43 Ų4361.1 Ų61.123%0.2330%0.302CS..G310 helixtrans-63.4-21.1-18079.8-11.7000114.4T491 R538 D655 R659 H660T491-D657 PolarHBondContact OG1-OD1 2.91Å; R538-D657 WeakPolarHBondContact CD-OD2 3.46Å; R538-D657 IonicContact CZ-OD2 2.98Å; R538-D657 IonicContact NE-OD2 3.48Å; R538-D657 IonicContact NH1-OD2 3.01Å; R538-D657 PolarHBondContact NH1-OD2 3.44Å; D655-D657 PolarHBondContact O-N 3.46Å; D655-D657 PolarHBondContact OD1-N 3.41Å; D655-D657 VanDerWaalsContact OD1-N 3.11Å; D657-R659 PolarHBondContact O-N 3.43Å; D657-R659 VanDerWaalsContact O-N 3.13Å; D657-H660 PolarHBondContact O-N 2.83Å
658L92.3Very high93.2Very high0 Ų058.5 Ų58.50%029%0.291CS..G310 helixtrans-62.7-18.9177.1-76167.5000113.4T491 I616 V618 D655 P656 H660 V661 I667T491-L658 HydrophobicContact CG2-CD1 4.42Å; T491-L658 HydrophobicContact CG2-CD2 3.68Å; T491-L658 HydrophobicContact CG2-CG 4.13Å; I616-L658 HydrophobicContact CB-CB 4.19Å; I616-L658 HydrophobicContact CG1-CB 4.35Å; I616-L658 HydrophobicContact CG2-CB 4.16Å; V618-L658 HydrophobicContact CG2-CD1 3.6Å; D655-L658 WeakPolarHBondContact O-CB 3.31Å; D655-L658 PolarHBondContact O-N 3.3Å; D655-L658 VanDerWaalsContact O-N 3.11Å; P656-L658 PolarHBondContact O-N 3.34Å; L658-H660 PolarHBondContact O-N 2.92Å; L658-V661 HydrophobicContact CD2-CG2 3.92Å; L658-V661 PolarHBondContact O-N 2.83Å; L658-I667 HydrophobicContact CD2-CD1 3.56Å
659R90.4Very high93.5Very high91 Ų9152.6 Ų52.634%0.34327%0.265SS..G310 helixtrans-58.9-25.4172.1179.4175.4-65.6-104.8-6.1112.9I616 P656 D657 Y681I616-R659 HydrophobicContact CD1-CB 4Å; I616-R659 HydrophobicContact CG1-CB 4.37Å; P656-R659 WeakPolarHBondContact O-CB 3.36Å; P656-R659 PolarHBondContact O-N 3.44Å; D657-R659 PolarHBondContact O-N 3.43Å; D657-R659 VanDerWaalsContact O-N 3.13Å; R659-Y681 HydrophobicContact CB-CD1 4.37Å; R659-Y681 HydrophobicContact CG-CD1 3.99Å; R659-Y681 HydrophobicContact CG-CE1 4.29Å; R659-Y681 PolarHBondContact NH2-OH 2.07Å
660H90.2Very high93.6Very high145 Ų14547.3 Ų47.367%0.67124%0.24SC*.G310 helixtrans-94.6-5.5-176.4-59-55000113.9D657 L658D657-H660 PolarHBondContact O-N 2.83Å; L658-H660 PolarHBondContact O-N 2.92Å
661V93.4Very high93.6Very high16 Ų1650.1 Ų50.110%0.09725%0.249CC..PPolyproline II helixtrans-71.3128.1179178.30000109.7L658 D665 I667 C677 P680L658-V661 HydrophobicContact CD2-CG2 3.92Å; L658-V661 PolarHBondContact O-N 2.83Å; V661-D665 HydrophobicContact CG1-CB 3.91Å; V661-I667 HydrophobicContact CG2-CD1 4.48Å; V661-I667 HydrophobicContact CG2-CG2 4.4Å; V661-C677 HydrophobicContact CG1-CB 3.56Å; V661-P680 WeakPolarHBondContact O-CB 3.43Å
662K93.9Very high93.5Very high148 Ų14848.9 Ų48.964%0.64324%0.235SC*.PPolyproline II helixtrans-101.1158.8-179-61.2176.3-175.8174.60110.8G664 D665 C677K662-G664 PolarHBondContact O-N 3.31Å; K662-D665 WeakPolarHBondContact CB-OD2 3.31Å; K662-D665 PolarHBondContact N-OD2 3.03Å; K662-D665 VanDerWaalsContact O-CB 3.28Å; K662-D665 WeakPolarHBondContact O-CB 3.24Å; K662-D665 PolarHBondContact O-N 2.82Å; K662-C677 VanDerWaalsContact O-CB 3.22Å; K662-C677 WeakPolarHBondContact O-CB 3.31Å; K662-C677 PolarHBondContact O-SG 3.02Å
663K92.9Very high93.4Very high146 Ų14649.5 Ų49.564%0.63524%0.241SC*.THydrogen-bonded Turntrans-53.4128.9172.3-176.6168-174.6157.20110.8C677 D678K663-C677 WeakPolarHBondContact CA-O 3.42Å; K663-D678 VanDerWaalsContact CD-O 3.27Å; K663-D678 WeakPolarHBondContact CD-O 3.43Å; K663-D678 VanDerWaalsContact CE-O 3.23Å; K663-D678 WeakPolarHBondContact CE-O 3.46Å; K663-D678 WeakPolarHBondContact CG-O 3.39Å; K663-D678 PolarHBondContact NZ-O 3.11Å
664G92.5Very high93.6Very high43 Ų4348.6 Ų48.644%0.44324%0.236SC..THydrogen-bonded Turntrans90.5-11.5-178.300000115K662 C677K662-G664 PolarHBondContact O-N 3.31Å; G664-C677 PolarHBondContact N-O 2.76Å
665D96.4Very high93.7Very high69 Ų6949.1 Ų49.137%0.36924%0.238SC..  trans-66.1137.1174.1-71.4-15.3000110.2V661 K662 I676 C677V661-D665 HydrophobicContact CG1-CB 3.91Å; K662-D665 WeakPolarHBondContact CB-OD2 3.31Å; K662-D665 PolarHBondContact N-OD2 3.03Å; K662-D665 VanDerWaalsContact O-CB 3.28Å; K662-D665 WeakPolarHBondContact O-CB 3.24Å; K662-D665 PolarHBondContact O-N 2.82Å; D665-I676 WeakPolarHBondContact O-CA 3.29Å; D665-C677 PolarHBondContact O-N 3.45Å
666I97.7Very high94Very high37 Ų3749 Ų4919%0.1924%0.237CC..EExtended strand (participates in β ladder)trans-104.8125.5175.4-62.3176.7000108.9T451 I484 P489 F675 I676 I699T451-I666 HydrophobicContact CG2-CD1 3.97Å; I484-I666 HydrophobicContact CB-CG2 4.25Å; I484-I666 HydrophobicContact CG2-CD1 3.96Å; I484-I666 HydrophobicContact CG2-CG2 4.3Å; P489-I666 WeakPolarHBondContact CD-O 3.24Å; I666-F675 CarbonylContact C-O 3.57Å; I666-F675 WeakPolarHBondContact CA-O 3.34Å; I666-I676 HydrophobicContact CG1-CB 4.18Å; I666-I676 HydrophobicContact CG1-CD1 4.29Å; I666-I676 HydrophobicContact CG1-CG1 4.16Å; I666-I699 HydrophobicContact CB-CD1 4.43Å; I666-I699 HydrophobicContact CD1-CD1 4.05Å; I666-I699 HydrophobicContact CG1-CD1 4.01Å; I666-I699 HydrophobicContact CG2-CD1 3.66Å
667I96.4Very high94.4Very high9 Ų947.5 Ų47.55%0.04623%0.228CC..EExtended strand (participates in β ladder)trans-128.716318060.9170.2000110.9P489 T491 L658 V661 F674 F675 L696P489-I667 HydrophobicContact CB-CG2 4.31Å; T491-I667 HydrophobicContact CG2-CD1 3.92Å; L658-I667 HydrophobicContact CD2-CD1 3.56Å; V661-I667 HydrophobicContact CG2-CD1 4.48Å; V661-I667 HydrophobicContact CG2-CG2 4.4Å; I667-F674 CarbonylContact O-C 3.58Å; I667-F674 WeakPolarHBondContact O-CA 3.29Å; I667-F675 HydrophobicContact CG1-CB 4.34Å; I667-F675 PolarHBondContact N-O 2.88Å; I667-F675 PolarHBondContact O-N 3.42Å; I667-L696 HydrophobicContact CD1-CD1 3.94Å; I667-L696 HydrophobicContact CD1-CD2 4.26Å
668Q96.7Very high94.8Very high32 Ų3246.4 Ų46.415%0.1522%0.222CC..EExtended strand (participates in β ladder)trans-110.2121.9168.6-171.6-174.316.600109.3A488 P489 R490 T491 G673 F674A488-Q668 HydrophobicContact CB-CB 4.49Å; P489-Q668 PolarHBondContact O-N 2.84Å; R490-Q668 CarbonylContact C-O 3.22Å; R490-Q668 WeakPolarHBondContact CA-O 3.42Å; R490-Q668 HydrophobicContact CG-CB 4.32Å; R490-Q668 VanDerWaalsContact NE-OE1 3.07Å; T491-Q668 PolarHBondContact N-O 2.73Å; Q668-G673 CarbonylContact C-O 3.52Å; Q668-G673 WeakPolarHBondContact CA-O 3.29Å; Q668-G673 WeakPolarHBondContact CG-O 3.42Å; Q668-F674 HydrophobicContact CB-CD1 3.88Å; Q668-F674 HydrophobicContact CB-CE1 3.93Å; Q668-F674 HydrophobicContact CG-CD1 4.07Å; Q668-F674 HydrophobicContact CG-CE1 3.94Å; Q668-F674 HydrophobicContact CG-CZ 4.46Å
669I96.5Very high94.7Very high0 Ų048.1 Ų48.10%024%0.236CC..EExtended strand (participates in β ladder)trans-83.1118.7164.6-58.4177.5000107.2T491 A493 R671 R672 G673 F675 L696T491-I669 HydrophobicContact CG2-CG1 4.35Å; T491-I669 WeakPolarHBondContact O-CA 3.36Å; A493-I669 HydrophobicContact CB-CD1 4.29Å; A493-I669 HydrophobicContact CB-CG2 4Å; I669-R671 PolarHBondContact O-N 2.83Å; I669-R672 HydrophobicContact CB-CB 4.05Å; I669-R672 HydrophobicContact CG2-CB 3.96Å; I669-R672 HydrophobicContact CG2-CG 4.17Å; I669-R672 PolarHBondContact O-N 2.9Å; I669-G673 PolarHBondContact N-O 2.76Å; I669-G673 PolarHBondContact O-N 3.47Å; I669-G673 VanDerWaalsContact O-N 3.1Å; I669-F675 HydrophobicContact CB-CD2 4.11Å; I669-F675 HydrophobicContact CB-CE2 3.92Å; I669-F675 HydrophobicContact CD1-CD2 3.79Å; I669-F675 HydrophobicContact CD1-CE2 3.82Å; I669-F675 HydrophobicContact CD1-CG 4.28Å; I669-F675 HydrophobicContact CD1-CZ 4.32Å; I669-F675 HydrophobicContact CG1-CD2 3.75Å; I669-F675 HydrophobicContact CG1-CE2 3.97Å; I669-L696 HydrophobicContact CD1-CD1 3.81Å
670Q93.6Very high94.8Very high13 Ų1345.9 Ų45.96%0.06123%0.233CC..THydrogen-bonded Turntrans-55.5133.8-176.4-71.6-171.2-19.600110.8R490 T491 T603 R672R490-Q670 HydrophobicContact CB-CG 4.09Å; T491-Q670 WeakPolarHBondContact O-CG 3.4Å; T491-Q670 PolarHBondContact O-N 2.82Å; T603-Q670 HydrophobicContact CG2-CB 3.67Å; Q670-R672 PolarHBondContact O-N 2.73Å; Q670-R672 VanDerWaalsContact O-N 3.16Å
671R92.9Very high94.9Very high112 Ų11239.8 Ų39.842%0.42321%0.205SC..THydrogen-bonded Turntrans63.36.1-176-57.717558.9-140.97.6116D552 I565 K601 T603 I669D552-R671 IonicContact OD1-CZ 3.12Å; D552-R671 IonicContact OD1-NH1 2.73Å; D552-R671 PolarHBondContact OD1-NH1 3.08Å; D552-R671 IonicContact OD1-NH2 3.91Å; D552-R671 PolarHBondContact OD1-NH2 3.16Å; D552-R671 IonicContact OD2-CZ 3.39Å; D552-R671 IonicContact OD2-NH1 3.71Å; D552-R671 PolarHBondContact OD2-NH1 3.37Å; D552-R671 IonicContact OD2-NH2 2.61Å; I565-R671 HydrophobicContact CD1-CG 4.04Å; K601-R671 PolarHBondContact O-NE 3.3Å; T603-R671 HydrophobicContact CG2-CG 4.27Å; T603-R671 PolarHBondContact OG1-NH1 2.92Å; T603-R671 VanDerWaalsContact OG1-NH1 3.14Å; I669-R671 PolarHBondContact O-N 2.83Å
672R91.2Very high94.5Very high43 Ų4342.5 Ų42.516%0.16222%0.216CC..THydrogen-bonded Turntrans-118.8-37.8178.8-71.3-177.1169.6-78.4-20.6114.6E549 I669 Q670 F675E549-R672 VanDerWaalsContact CD-NH2 3.26Å; E549-R672 IonicContact OE1-CZ 2.81Å; E549-R672 IonicContact OE1-NE 3.75Å; E549-R672 IonicContact OE1-NH2 3.53Å; E549-R672 PolarHBondContact OE1-NH2 2.74Å; E549-R672 IonicContact OE2-NH2 3.6Å; E549-R672 PolarHBondContact OE2-NH2 3.01Å; E549-R672 VanDerWaalsContact OE2-NH2 3.08Å; I669-R672 HydrophobicContact CB-CB 4.05Å; I669-R672 HydrophobicContact CG2-CB 3.96Å; I669-R672 HydrophobicContact CG2-CG 4.17Å; I669-R672 PolarHBondContact O-N 2.9Å; Q670-R672 PolarHBondContact O-N 2.73Å; Q670-R672 VanDerWaalsContact O-N 3.16Å; R672-F675 HydrophobicContact CB-CE2 4.23Å
673G95Very high93.8Very high14 Ų1439 Ų3914%0.14421%0.211CC..EExtended strand (participates in β ladder)trans135.3-165.3178.300000113.6Q668 I669 F675Q668-G673 CarbonylContact C-O 3.52Å; Q668-G673 WeakPolarHBondContact CA-O 3.29Å; Q668-G673 WeakPolarHBondContact CG-O 3.42Å; I669-G673 PolarHBondContact N-O 2.76Å; I669-G673 PolarHBondContact O-N 3.47Å; I669-G673 VanDerWaalsContact O-N 3.1Å; G673-F675 WeakPolarHBondContact O-CD2 3.32Å; G673-F675 WeakPolarHBondContact O-CE2 3.48Å
674F98Very high92.8Very high7 Ų735 Ų353%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-96.7145.8179.8-59.9-80.7000110.7K481 I484 E485 A488 I667 Q668 I699 D701K481-F674 HydrophobicContact CD-CE2 4.49Å; K481-F674 HydrophobicContact CG-CE2 4.1Å; I484-F674 HydrophobicContact CD1-CB 3.83Å; I484-F674 HydrophobicContact CD1-CD1 4.03Å; I484-F674 HydrophobicContact CD1-CD2 4.11Å; I484-F674 HydrophobicContact CD1-CG 3.71Å; I484-F674 HydrophobicContact CG1-CD1 4.18Å; I484-F674 HydrophobicContact CG1-CE1 4.42Å; I484-F674 HydrophobicContact CG1-CG 4.3Å; E485-F674 HydrophobicContact CB-CE1 4.3Å; E485-F674 HydrophobicContact CB-CZ 3.83Å; E485-F674 HydrophobicContact CG-CZ 4.05Å; A488-F674 HydrophobicContact CB-CD1 4.04Å; A488-F674 HydrophobicContact CB-CE1 4.06Å; I667-F674 CarbonylContact O-C 3.58Å; I667-F674 WeakPolarHBondContact O-CA 3.29Å; Q668-F674 HydrophobicContact CB-CD1 3.88Å; Q668-F674 HydrophobicContact CB-CE1 3.93Å; Q668-F674 HydrophobicContact CG-CD1 4.07Å; Q668-F674 HydrophobicContact CG-CE1 3.94Å; Q668-F674 HydrophobicContact CG-CZ 4.46Å; F674-I699 HydrophobicContact CB-CB 4.1Å; F674-I699 HydrophobicContact CB-CD1 4.4Å; F674-I699 PolarHBondContact O-N 2.94Å; F674-D701 HydrophobicContact CD2-CB 4.42Å
675F98.1Very high91.3Very high10 Ų1033.6 Ų33.64%0.04419%0.188CC..EExtended strand (participates in β ladder)trans-141.9141.9-177.3-65-95000110.6C620 I666 I667 I669 R672 G673 L696 I697 N698C620-F675 HydrophobicContact CB-CD1 4.47Å; C620-F675 HydrophobicContact CB-CE1 3.86Å; C620-F675 VanDerWaalsContact SG-CE1 3.58Å; I666-F675 CarbonylContact C-O 3.57Å; I666-F675 WeakPolarHBondContact CA-O 3.34Å; I667-F675 HydrophobicContact CG1-CB 4.34Å; I667-F675 PolarHBondContact N-O 2.88Å; I667-F675 PolarHBondContact O-N 3.42Å; I669-F675 HydrophobicContact CB-CD2 4.11Å; I669-F675 HydrophobicContact CB-CE2 3.92Å; I669-F675 HydrophobicContact CD1-CD2 3.79Å; I669-F675 HydrophobicContact CD1-CE2 3.82Å; I669-F675 HydrophobicContact CD1-CG 4.28Å; I669-F675 HydrophobicContact CD1-CZ 4.32Å; I669-F675 HydrophobicContact CG1-CD2 3.75Å; I669-F675 HydrophobicContact CG1-CE2 3.97Å; R672-F675 HydrophobicContact CB-CE2 4.23Å; G673-F675 WeakPolarHBondContact O-CD2 3.32Å; G673-F675 WeakPolarHBondContact O-CE2 3.48Å; F675-L696 HydrophobicContact CB-CB 4.02Å; F675-L696 HydrophobicContact CB-CD1 4.28Å; F675-L696 HydrophobicContact CD1-CB 3.95Å; F675-L696 HydrophobicContact CG-CB 4.28Å; F675-I697 CarbonylContact C-O 3.57Å; F675-I697 WeakPolarHBondContact CA-O 3.39Å; F675-N698 VanDerWaalsContact CD1-CA 3.48Å; F675-N698 HydrophobicContact CD1-CB 4.06Å; F675-N698 HydrophobicContact CE1-CB 3.67Å; F675-N698 HydrophobicContact CZ-CB 4.34Å
676I98.1Very high89.4Confident17 Ų1733.2 Ų33.29%0.08719%0.186CC..EExtended strand (participates in β ladder)trans-102.5137.4166.7-174.3164.9000109.4R447 D665 I666 D678 L696 I697 I699R447-I676 WeakPolarHBondContact O-CG2 3.36Å; D665-I676 WeakPolarHBondContact O-CA 3.29Å; I666-I676 HydrophobicContact CG1-CB 4.18Å; I666-I676 HydrophobicContact CG1-CD1 4.29Å; I666-I676 HydrophobicContact CG1-CG1 4.16Å; I676-D678 PolarHBondContact O-N 2.99Å; I676-L696 CarbonylContact O-C 3.49Å; I676-L696 WeakPolarHBondContact O-CA 3.36Å; I676-I697 HydrophobicContact CG2-CB 3.85Å; I676-I697 HydrophobicContact CG2-CG2 4.48Å; I676-I697 PolarHBondContact N-O 3.32Å; I676-I697 PolarHBondContact O-N 3.31Å; I676-I699 HydrophobicContact CB-CD1 4Å; I676-I699 HydrophobicContact CB-CG1 4.27Å; I676-I699 HydrophobicContact CG2-CD1 4.47Å; I676-I699 HydrophobicContact CG2-CG1 4.22Å
677C97.7Very high87.1Confident2 Ų233.2 Ų33.21%0.01419%0.191CC..EExtended strand (participates in β ladder)trans-76.1116.8175.5179.90000111V661 K662 K663 G664 D665 A679 L696V661-C677 HydrophobicContact CG1-CB 3.56Å; K662-C677 VanDerWaalsContact O-CB 3.22Å; K662-C677 WeakPolarHBondContact O-CB 3.31Å; K662-C677 PolarHBondContact O-SG 3.02Å; K663-C677 WeakPolarHBondContact CA-O 3.42Å; G664-C677 PolarHBondContact N-O 2.76Å; D665-C677 PolarHBondContact O-N 3.45Å; C677-A679 VanDerWaalsContact SG-C 3.58Å; C677-L696 HydrophobicContact CB-CD2 3.89Å
678D96Very high85.1Confident20 Ų2036 Ų3611%0.10721%0.209CC..EExtended strand (participates in β ladder)trans-91.8-36.9177.7-16542.3000111.6R447 K663 I676 V695 I697R447-D678 IonicContact CZ-OD1 3.13Å; R447-D678 IonicContact CZ-OD2 3.14Å; R447-D678 IonicContact NE-OD1 3.54Å; R447-D678 PolarHBondContact NE-OD1 2.93Å; R447-D678 IonicContact NE-OD2 3.55Å; R447-D678 PolarHBondContact NE-OD2 3.37Å; R447-D678 IonicContact NH2-OD1 2.71Å; R447-D678 IonicContact NH2-OD2 2.67Å; R447-D678 PolarHBondContact NH2-OD2 2.85Å; K663-D678 VanDerWaalsContact CD-O 3.27Å; K663-D678 WeakPolarHBondContact CD-O 3.43Å; K663-D678 VanDerWaalsContact CE-O 3.23Å; K663-D678 WeakPolarHBondContact CE-O 3.46Å; K663-D678 WeakPolarHBondContact CG-O 3.39Å; K663-D678 PolarHBondContact NZ-O 3.11Å; I676-D678 PolarHBondContact O-N 2.99Å; D678-V695 HydrophobicContact CB-CG1 4.47Å; D678-V695 PolarHBondContact N-O 3.42Å; D678-I697 HydrophobicContact CB-CD1 3.61Å; D678-I697 HydrophobicContact CB-CG1 3.9Å
679A91.3Very high83.3Confident37 Ų3736.4 Ų36.431%0.30622%0.221SC..EExtended strand (participates in β ladder)trans-139.5125.5171.200000110.4C677 V695C677-A679 VanDerWaalsContact SG-C 3.58Å; A679-V695 HydrophobicContact CB-CB 3.98Å; A679-V695 HydrophobicContact CB-CG2 4.08Å; A679-V695 PolarHBondContact N-O 3.15Å; A679-V695 PolarHBondContact O-N 3.43Å
680P93.2Very high81.9Confident43 Ų4343 Ų4328%0.27925%0.252SS..  trans-68.7159.4177.831.6-35.2000110.8V661V661-P680 WeakPolarHBondContact O-CB 3.43Å
681Y91.2Very high81.1Confident18 Ų1847.1 Ų47.17%0.07127%0.271CS..  trans-63138.3173165.5-87.8000111.5I616 P617 R659 S683 E691 S692I616-Y681 HydrophobicContact CD1-CD1 4.49Å; I616-Y681 HydrophobicContact CD1-CD2 4.42Å; I616-Y681 HydrophobicContact CD1-CE1 4.38Å; I616-Y681 HydrophobicContact CD1-CE2 4.23Å; I616-Y681 HydrophobicContact CG2-CD2 3.62Å; I616-Y681 HydrophobicContact CG2-CE2 4.25Å; I616-Y681 HydrophobicContact CG2-CG 3.94Å; P617-Y681 HydrophobicContact CG-CD2 4.37Å; P617-Y681 HydrophobicContact CG-CE2 4.12Å; R659-Y681 HydrophobicContact CB-CD1 4.37Å; R659-Y681 HydrophobicContact CG-CD1 3.99Å; R659-Y681 HydrophobicContact CG-CE1 4.29Å; R659-Y681 PolarHBondContact NH2-OH 2.07Å; Y681-S683 WeakPolarHBondContact OH-CA 3.26Å; Y681-S683 PolarHBondContact OH-OG 3.29Å; Y681-E691 HydrophobicContact CE2-CG 3.55Å; Y681-E691 VanDerWaalsContact CE2-OE1 3.23Å; Y681-E691 WeakPolarHBondContact CE2-OE1 3.26Å; Y681-E691 PolarHBondContact OH-OE1 2.95Å; Y681-S692 WeakPolarHBondContact CD2-O 3.49Å
682E84.6Confident80.7Confident72 Ų7243.2 Ų43.234%0.33626%0.261SS..BIsolated β-bridgetrans-128123.1174.3-62.5176.117700109.8A684 C685 E691 S692E682-A684 PolarHBondContact O-N 3.1Å; E682-C685 VanDerWaalsContact OE2-CA 3.23Å; E682-C685 WeakPolarHBondContact OE2-CA 3.45Å; E682-C685 PolarHBondContact OE2-SG 2.94Å; E682-E691 WeakPolarHBondContact O-CA 3.34Å; E682-S692 PolarHBondContact N-O 3.27Å; E682-S692 VanDerWaalsContact N-O 3.13Å; E682-S692 PolarHBondContact O-N 2.92Å
683S79.2Confident80.7Confident75 Ų7543.3 Ų43.352%0.52427%0.267SS..SBendtrans-65-27.4-179-1610000113.7Y681Y681-S683 WeakPolarHBondContact OH-CA 3.26Å; Y681-S683 PolarHBondContact OH-OG 3.29Å
684A71.5Confident80.7Confident63 Ų6342.7 Ų42.752%0.52126%0.261SS..SBendtrans-147.5105.7169.900000105.8E682 L686E682-A684 PolarHBondContact O-N 3.1Å; A684-L686 PolarHBondContact O-N 3.1Å
685C62.4Low80.6Confident13 Ų1343.7 Ų43.79%0.08827%0.267CS..  trans-64.5129.6-180-173.30000109.8E682 A687 T688 G689 H690 S692E682-C685 VanDerWaalsContact OE2-CA 3.23Å; E682-C685 WeakPolarHBondContact OE2-CA 3.45Å; E682-C685 PolarHBondContact OE2-SG 2.94Å; C685-A687 PolarHBondContact O-N 2.87Å; C685-A687 VanDerWaalsContact O-N 3.11Å; C685-A687 VanDerWaalsContact SG-CB 3.56Å; C685-A687 PolarHBondContact SG-N 3.03Å; C685-A687 VanDerWaalsContact SG-N 3.4Å; C685-T688 WeakPolarHBondContact CB-OG1 3.3Å; C685-T688 PolarHBondContact O-N 3.13Å; C685-T688 VanDerWaalsContact O-N 3.16Å; C685-G689 WeakPolarHBondContact O-CA 3.41Å; C685-G689 PolarHBondContact O-N 2.97Å; C685-H690 VanDerWaalsContact CB-O 3.23Å; C685-H690 WeakPolarHBondContact CB-O 3.35Å; C685-H690 PolarHBondContact N-O 2.93Å; C685-S692 WeakPolarHBondContact CB-OG 3.32Å; C685-S692 PolarHBondContact SG-OG 3.01Å; C685-S692 VanDerWaalsContact SG-OG 3.39Å
686L56.8Low80.6Confident60 Ų6043.2 Ų43.231%0.31427%0.265SS..THydrogen-bonded Turntrans-58.3-28.6175.5-65.5163.5000111.2A7 E10 Y40 A684A7-L686 HydrophobicContact CB-CB 4.06Å; A7-L686 HydrophobicContact CB-CD2 4.37Å; E10-L686 WeakPolarHBondContact OE2-CD1 3.41Å; Y40-L686 PolarHBondContact OH-O 3.05Å; A684-L686 PolarHBondContact O-N 3.1Å
687A48.1Very low80.6Confident38 Ų3842.4 Ų42.431%0.31426%0.261SS..THydrogen-bonded Turntrans-81.4-13-178.100000115.5Y40 C685Y40-A687 WeakPolarHBondContact CE1-O 3.46Å; Y40-A687 VanDerWaalsContact CZ-O 3.26Å; Y40-A687 WeakPolarHBondContact OH-CA 3.3Å; Y40-A687 PolarHBondContact OH-O 3.41Å; C685-A687 PolarHBondContact O-N 2.87Å; C685-A687 VanDerWaalsContact O-N 3.11Å; C685-A687 VanDerWaalsContact SG-CB 3.56Å; C685-A687 PolarHBondContact SG-N 3.03Å; C685-A687 VanDerWaalsContact SG-N 3.4Å
688T55.8Low80.6Confident67 Ų6743.1 Ų43.141%0.41127%0.265SS..THydrogen-bonded Turntrans-144.5-13.1-178.6630000114.3Y40 C685 H690Y40-T688 PolarHBondContact OH-N 3.28Å; C685-T688 WeakPolarHBondContact CB-OG1 3.3Å; C685-T688 PolarHBondContact O-N 3.13Å; C685-T688 VanDerWaalsContact O-N 3.16Å; T688-H690 PolarHBondContact O-CD2 2.92Å; T688-H690 PolarHBondContact O-N 3.19Å; T688-H690 PolarHBondContact OG1-N 3.06Å
689G57.6Low80.7Confident40 Ų4042.2 Ų42.241%0.41226%0.26SS..SBendtrans69.4-4.9-168.400000114.1C685C685-G689 WeakPolarHBondContact O-CA 3.41Å; C685-G689 PolarHBondContact O-N 2.97Å
690H67Low80.9Confident138 Ų13841.6 Ų41.664%0.63925%0.253SS*.SBendtrans-98.4156.8-179.5-64.3-68.9000111C685 T688 S692C685-H690 VanDerWaalsContact CB-O 3.23Å; C685-H690 WeakPolarHBondContact CB-O 3.35Å; C685-H690 PolarHBondContact N-O 2.93Å; T688-H690 PolarHBondContact O-CD2 2.92Å; T688-H690 PolarHBondContact O-N 3.19Å; T688-H690 PolarHBondContact OG1-N 3.06Å; H690-S692 PolarHBondContact O-N 3.48Å
691E78Confident80.6Confident101 Ų10140.8 Ų40.847%0.47225%0.246SC..  trans-55.5126.5170.3-174.5-179.2-150.200110P617 Y681 E682P617-E691 HydrophobicContact CG-CG 4.21Å; Y681-E691 HydrophobicContact CE2-CG 3.55Å; Y681-E691 VanDerWaalsContact CE2-OE1 3.23Å; Y681-E691 WeakPolarHBondContact CE2-OE1 3.26Å; Y681-E691 PolarHBondContact OH-OE1 2.95Å; E682-E691 WeakPolarHBondContact O-CA 3.34Å
692S83.7Confident80.3Confident30 Ų3041 Ų4121%0.2125%0.254CS..BIsolated β-bridgetrans-104.5131.8175.2-85.90000109.9Y681 E682 C685 H690Y681-S692 WeakPolarHBondContact CD2-O 3.49Å; E682-S692 PolarHBondContact N-O 3.27Å; E682-S692 VanDerWaalsContact N-O 3.13Å; E682-S692 PolarHBondContact O-N 2.92Å; C685-S692 WeakPolarHBondContact CB-OG 3.32Å; C685-S692 PolarHBondContact SG-OG 3.01Å; C685-S692 VanDerWaalsContact SG-OG 3.39Å; H690-S692 PolarHBondContact O-N 3.48Å
693P91.6Very high79.8Confident45 Ų4540 Ų4029%0.29226%0.255SS..PPolyproline II helixtrans-67.7159.3-179.330.8-36000111.5P617 V695P617-P693 HydrophobicContact CB-CB 4.15Å; P617-P693 HydrophobicContact CG-CB 4.42Å; P617-P693 CarbonylContact O-C 3.54Å; P617-P693 WeakPolarHBondContact O-CA 3.1Å; P617-P693 VanDerWaalsContact O-CB 3.28Å; P617-P693 WeakPolarHBondContact O-CB 3.11Å; P693-V695 HydrophobicContact CG-CG2 4.48Å; P693-V695 PolarHBondContact O-N 3.24Å
694C95.1Very high78.7Confident0 Ų039.6 Ų39.60%025%0.252CS..EExtended strand (participates in β ladder)trans-68.3117.4162.8-169.90000108.7I616 P617 V618 S619I616-C694 HydrophobicContact CG2-CB 4.43Å; P617-C694 PolarHBondContact O-N 3.33Å; V618-C694 CarbonylContact C-O 3.56Å; V618-C694 WeakPolarHBondContact CA-O 3.2Å; V618-C694 HydrophobicContact CG2-CB 4.44Å; S619-C694 PolarHBondContact N-O 3.4Å
695V96.1Very high77.2Confident29 Ų2944 Ų4418%0.17626%0.259CS..EExtended strand (participates in β ladder)trans-96.4117.4179.6-174.80000109.4S619 L621 D678 A679 P693S619-V695 CarbonylContact O-C 3.6Å; S619-V695 WeakPolarHBondContact O-CA 3.46Å; L621-V695 HydrophobicContact CD1-CG1 3.75Å; L621-V695 HydrophobicContact CG-CG1 4.16Å; D678-V695 HydrophobicContact CB-CG1 4.47Å; D678-V695 PolarHBondContact N-O 3.42Å; A679-V695 HydrophobicContact CB-CB 3.98Å; A679-V695 HydrophobicContact CB-CG2 4.08Å; A679-V695 PolarHBondContact N-O 3.15Å; A679-V695 PolarHBondContact O-N 3.43Å; P693-V695 HydrophobicContact CG-CG2 4.48Å; P693-V695 PolarHBondContact O-N 3.24Å
696L98.1Very high76Confident0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-116.6137.2-175.5-64.1-175.3000109.8V618 S619 C620 L621 I667 I669 F675 I676 C677V618-L696 HydrophobicContact CG1-CD1 3.61Å; V618-L696 HydrophobicContact CG1-CG 4Å; S619-L696 PolarHBondContact O-N 3.37Å; C620-L696 CarbonylContact C-O 3.58Å; C620-L696 WeakPolarHBondContact CA-O 3.2Å; L621-L696 PolarHBondContact N-O 2.77Å; I667-L696 HydrophobicContact CD1-CD1 3.94Å; I667-L696 HydrophobicContact CD1-CD2 4.26Å; I669-L696 HydrophobicContact CD1-CD1 3.81Å; F675-L696 HydrophobicContact CB-CB 4.02Å; F675-L696 HydrophobicContact CB-CD1 4.28Å; F675-L696 HydrophobicContact CD1-CB 3.95Å; F675-L696 HydrophobicContact CG-CB 4.28Å; I676-L696 CarbonylContact O-C 3.49Å; I676-L696 WeakPolarHBondContact O-CA 3.36Å; C677-L696 HydrophobicContact CB-CD2 3.89Å
697I98.3Very high75.2Confident0 Ų050.1 Ų50.10%029%0.292CS..EExtended strand (participates in β ladder)trans-105.6124.3173.9-61.3172.2000108.3P437 R447 L621 Y623 F675 I676 D678 I699P437-I697 HydrophobicContact CG-CD1 3.8Å; R447-I697 HydrophobicContact CG-CD1 4.36Å; L621-I697 HydrophobicContact CB-CG1 4.39Å; L621-I697 WeakPolarHBondContact O-CA 3.38Å; Y623-I697 HydrophobicContact CD2-CG2 3.68Å; Y623-I697 HydrophobicContact CE2-CB 4.49Å; Y623-I697 HydrophobicContact CE2-CD1 4.12Å; Y623-I697 HydrophobicContact CE2-CG1 4.02Å; Y623-I697 HydrophobicContact CE2-CG2 3.75Å; F675-I697 CarbonylContact C-O 3.57Å; F675-I697 WeakPolarHBondContact CA-O 3.39Å; I676-I697 HydrophobicContact CG2-CB 3.85Å; I676-I697 HydrophobicContact CG2-CG2 4.48Å; I676-I697 PolarHBondContact N-O 3.32Å; I676-I697 PolarHBondContact O-N 3.31Å; D678-I697 HydrophobicContact CB-CD1 3.61Å; D678-I697 HydrophobicContact CB-CG1 3.9Å; I697-I699 PolarHBondContact O-N 2.99Å
698N98Very high74.6Confident16 Ų1652.6 Ų52.69%0.08630%0.3CS..EExtended strand (participates in β ladder)trans-59.6128.7173.9177.8-97.6000109.9H448 L621 T622 F675H448-N698 PolarHBondContact CD2-O 2.83Å; H448-N698 PolarHBondContact NE2-O 3.2Å; L621-N698 PolarHBondContact O-N 3.45Å; T622-N698 HydrophobicContact CG2-CB 4.47Å; F675-N698 VanDerWaalsContact CD1-CA 3.48Å; F675-N698 HydrophobicContact CD1-CB 4.06Å; F675-N698 HydrophobicContact CE1-CB 3.67Å; F675-N698 HydrophobicContact CZ-CB 4.34Å
699I97.9Very high73.2Confident1 Ų153 Ų531%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-97.5116.7173.2-50.3176.8000106.4W477 I484 I666 F674 I676 I697W477-I699 HydrophobicContact CE3-CG2 4Å; W477-I699 HydrophobicContact CZ3-CG2 3.83Å; I484-I699 HydrophobicContact CD1-CD1 4.39Å; I484-I699 HydrophobicContact CD1-CG2 4.2Å; I666-I699 HydrophobicContact CB-CD1 4.43Å; I666-I699 HydrophobicContact CD1-CD1 4.05Å; I666-I699 HydrophobicContact CG1-CD1 4.01Å; I666-I699 HydrophobicContact CG2-CD1 3.66Å; F674-I699 HydrophobicContact CB-CB 4.1Å; F674-I699 HydrophobicContact CB-CD1 4.4Å; F674-I699 PolarHBondContact O-N 2.94Å; I676-I699 HydrophobicContact CB-CD1 4Å; I676-I699 HydrophobicContact CB-CG1 4.27Å; I676-I699 HydrophobicContact CG2-CD1 4.47Å; I676-I699 HydrophobicContact CG2-CG1 4.22Å; I697-I699 PolarHBondContact O-N 2.99Å
700P95.1Very high71.7Confident25 Ų2555.6 Ų55.616%0.16233%0.327CS..PPolyproline II helixtrans-59.6145.9177.4-21.331.9000110.8W477W477-P700 HydrophobicContact CB-CB 4.14Å; W477-P700 WeakPolarHBondContact CB-O 3.44Å; W477-P700 HydrophobicContact CD2-CB 3.95Å; W477-P700 HydrophobicContact CD2-CG 4.02Å; W477-P700 HydrophobicContact CG-CB 3.66Å; W477-P700 HydrophobicContact CG-CG 4.19Å; W477-P700 HydrophobicContact CZ2-CG 4.25Å
701D87.3Confident70Confident26 Ų2652.3 Ų52.314%0.13931%0.314CS..  trans-104.8-1.5-172.193.2-29.1000112.7K481 F674 S703K481-D701 HydrophobicContact CD-CB 3.88Å; K481-D701 VanDerWaalsContact CD-O 3.23Å; K481-D701 WeakPolarHBondContact CD-O 3.39Å; K481-D701 IonicContact NZ-OD2 3.96Å; K481-D701 PolarHBondContact NZ-OD2 3.32Å; F674-D701 HydrophobicContact CD2-CB 4.42Å; D701-S703 VanDerWaalsContact C-N 3.35Å; D701-S703 VanDerWaalsContact OD1-CB 3.28Å; D701-S703 WeakPolarHBondContact OD1-CB 3.11Å; D701-S703 PolarHBondContact OD1-N 2.85Å; D701-S703 PolarHBondContact OD1-OG 3.13Å
702G83.1Confident67.4Low23 Ų2354.6 Ų54.624%0.23733%0.329CS..SBendtrans818.4-179.400000114.7D474D474-G702 WeakPolarHBondContact O-CA 2.99Å
703S75.4Confident64.4Low51 Ų5158.2 Ų58.236%0.35735%0.354SS..  trans-93.2132.7167.771.20000110.3D701 K705D701-S703 VanDerWaalsContact C-N 3.35Å; D701-S703 VanDerWaalsContact OD1-CB 3.28Å; D701-S703 WeakPolarHBondContact OD1-CB 3.11Å; D701-S703 PolarHBondContact OD1-N 2.85Å; D701-S703 PolarHBondContact OD1-OG 3.13Å; S703-K705 PolarHBondContact O-N 3.05Å
704S55Low61Low66 Ų6665.6 Ų65.646%0.46238%0.382SS..  trans-74.216.4178.747.20000113.6D706S704-D706 PolarHBondContact O-N 3.24Å
705K40.3Very low57.5Low154 Ų15471.9 Ų71.967%0.6742%0.42SS*.SBendtrans-80.9118.5170.2-74.1-174.8177.4-178.80107.1S703 D707S703-K705 PolarHBondContact O-N 3.05Å; K705-D707 PolarHBondContact O-N 3.48Å
706D38.3Very low53.9Low120 Ų12079.7 Ų79.764%0.64246%0.455SS*.  trans-51.7111.1156.3-87-40.4000107.3S704 N708 A709S704-D706 PolarHBondContact O-N 3.24Å; D706-N708 PolarHBondContact O-N 3.48Å; D706-A709 PolarHBondContact O-N 2.85Å
707D40.2Very low50.2Low83 Ų8385.5 Ų85.544%0.44450%0.495SS..THydrogen-bonded Turntrans-60.53.7-177.7-86.9-28.8000113.6K705K705-D707 PolarHBondContact O-N 3.48Å
708N34.4Very low46.5Very low90 Ų9090.8 Ų90.848%0.48153%0.532SS..THydrogen-bonded Turntrans-102.1-1.8174.5-70.1-61000114.7Q650 D706 A710Q650-N708 PolarHBondContact NE2-OD1 3.04Å; D706-N708 PolarHBondContact O-N 3.48Å; N708-A710 PolarHBondContact O-N 3.21Å
709A26.8Very low42.7Very low75 Ų75100 Ų10062%0.6257%0.571SS**THydrogen-bonded Turntrans-71.3-9.5-176.400000114.7D706 I711D706-A709 PolarHBondContact O-N 2.85Å; A709-I711 VanDerWaalsContact C-N 3.33Å; A709-I711 PolarHBondContact O-N 3.37Å
710A26.4Very low39Very low95 Ų95105.9 Ų105.979%0.78561%0.613SS**THydrogen-bonded Turntrans-75.9-11.7-177.900000114.8N708N708-A710 PolarHBondContact O-N 3.21Å
711I30.5Very low35.4Very low68 Ų68108.7 Ų108.735%0.34965%0.646SS.*THydrogen-bonded Turntrans-133.2-26-163.1-77.9174.5000116.9A551 A709A551-I711 HydrophobicContact CB-CB 4.08Å; A551-I711 HydrophobicContact CB-CD1 3.85Å; A551-I711 HydrophobicContact CB-CG1 3.83Å; A551-I711 HydrophobicContact CB-CG2 3.21Å; A709-I711 VanDerWaalsContact C-N 3.33Å; A709-I711 PolarHBondContact O-N 3.37Å
712N23.3Very low32.2Very low150 Ų150113.3 Ų113.380%0.80268%0.681SS**  trans-111.778.1-172.7-78.9-19.4000113.8
713S20.6Very low29.2Very low105 Ų105118.5 Ų118.573%0.73471%0.707SS**  trans-126123.6155.6710000109.9
714K20.2Very low26.5Very low201 Ų201125.4 Ų125.487%0.87473%0.731SS**  trans82.576.9172.7-53.6177.7177.8178.30117.6
715V22.3Very low24.9Very low131 Ų131128 Ų12879%0.79474%0.744SS**  trans-138.2121.9137.1-176.70000109.4
716E19.9Very low23.9Very low194 Ų194128.3 Ų128.391%0.90775%0.753SS**  trans-65.4134.9-179.9-62166.9147.400111.1
717S20.5Very low23.2Very low122 Ų122131.7 Ų131.785%0.85376%0.762SS**  trans-131.7132.1161.562.80000111
718S20.3Very low22.4Very low111 Ų111134.1 Ų134.178%0.77678%0.78SS**  trans-91.7135-169.640.30000111.3
719K18.7Very low22Very low209 Ų209136 Ų13691%0.90980%0.795SS**  trans27.7109.9145.1-62.7179.2179.4176.60118
720S20.6Very low22Very low125 Ų125141.1 Ų141.187%0.87480%0.803SS**  trans-149.9131.7130.658.70000109.9
721G18.9Very low22.3Very low83 Ų83143.1 Ų143.186%0.85680%0.799SS**  trans-83.9144.7-174.300000112.4
722S19.7Very low22.5Very low124 Ų124147.2 Ų147.287%0.86782%0.816SS**  trans-123.5135160.6760000109.9
723V20.8Very low23.3Very low132 Ų132148 Ų14880%0.882%0.821SS**  trans-82.2135-169.11690000110.4T725V723-T725 PolarHBondContact O-N 3.46Å
724K18.3Very low24.5Very low195 Ų195147.3 Ų147.385%0.84881%0.808SS**  trans-56.7120.7172.5-71.1176175.3176.90111
725T21.2Very low26.6Very low121 Ų121141.2 Ų141.274%0.74279%0.788SS**  trans-111.5110.8159.4390000109.6V723 K727V723-T725 PolarHBondContact O-N 3.46Å; T725-K727 PolarHBondContact O-N 3.43Å; T725-K727 VanDerWaalsContact O-N 3.12Å
726N21Very low28.4Very low161 Ų161140.6 Ų140.686%0.86179%0.787SS**  trans-66.599167.4-82.9-18.1000108.6
727K21.9Very low29.9Very low191 Ų191138.3 Ų138.383%0.8378%0.776SS**  trans-94.298.9164.8-86.8-175.2176.4178.50109.5T725 V729T725-K727 PolarHBondContact O-N 3.43Å; T725-K727 VanDerWaalsContact O-N 3.12Å; K727-V729 PolarHBondContact O-N 2.94Å
728T24.4Very low31.4Very low134 Ų134137.1 Ų137.182%0.82276%0.757SS**  trans-62.6116.8162.7-24.50000108K730T728-K730 PolarHBondContact O-N 2.8Å
729V24.6Very low33.3Very low129 Ų129133.9 Ų133.978%0.78274%0.737SS**  trans-68.9115.6178.9177.40000108.7K727K727-V729 PolarHBondContact O-N 2.94Å
730K28.1Very low35.8Very low182 Ų182126.7 Ų126.779%0.79172%0.717SS**  trans-76.6131169.9-80.6-175.7173.5-173.60109.2T728 E732T728-K730 PolarHBondContact O-N 2.8Å; K730-E732 PolarHBondContact O-N 2.98Å
731I33Very low37.7Very low137 Ų137127.7 Ų127.770%0.70371%0.705SS**  trans-90.689.7-179.1-58168.7000107.6L734I731-L734 HydrophobicContact CG2-CD1 3.73Å
732E34.1Very low39.7Very low154 Ų154125.6 Ų125.672%0.7268%0.68SS**  trans-139.297.3169-74175.8-172.200106.2K730K730-E732 PolarHBondContact O-N 2.98Å
733N39.7Very low42.3Very low168 Ų168122.4 Ų122.490%0.89866%0.661SS**  trans158.529.8160.9-79.4-16.2000113.3
734L46.5Very low44.6Very low90 Ų90119.2 Ų119.247%0.47164%0.637SS.*  trans-88.9139172.2-73.1161.6000110.2I731 E738I731-L734 HydrophobicContact CG2-CD1 3.73Å; L734-E738 HydrophobicContact CB-CB 4.16Å; L734-E738 HydrophobicContact CD2-CB 3.81Å; L734-E738 HydrophobicContact CD2-CG 4.48Å
735T64.7Low46.8Very low72 Ų72116.8 Ų116.844%0.44263%0.629SS.*  trans-63.4158.3173.360.80000110.8E737 E738 A739T735-E737 PolarHBondContact O-N 3.27Å; T735-E737 VanDerWaalsContact O-N 3.12Å; T735-E738 PolarHBondContact N-OE2 3.2Å; T735-E738 VanDerWaalsContact N-OE2 3.09Å; T735-E738 PolarHBondContact O-N 2.84Å; T735-E738 VanDerWaalsContact O-N 3.11Å; T735-E738 WeakPolarHBondContact OG1-CB 3.43Å; T735-E738 WeakPolarHBondContact OG1-CG 3.31Å; T735-E738 PolarHBondContact OG1-OE2 3.05Å; T735-A739 WeakPolarHBondContact O-CB 3.29Å; T735-A739 PolarHBondContact O-N 3.33Å
736P58.8Low49.3Very low118 Ų118116.7 Ų116.777%0.76662%0.62SS**Hα-helixtrans-55.6-33.1-178.1-25.733.9000113.8A740P736-A740 VanDerWaalsContact O-CB 3.31Å; P736-A740 WeakPolarHBondContact O-CB 3.41Å; P736-A740 PolarHBondContact O-N 3.03Å
737E52.4Low51.9Low146 Ų146115.1 Ų115.168%0.68260%0.602SS**Hα-helixtrans-76.1-38-179.8-151.2-179.817800112T735 A740 K741T735-E737 PolarHBondContact O-N 3.27Å; T735-E737 VanDerWaalsContact O-N 3.12Å; E737-A740 PolarHBondContact O-N 3.35Å; E737-K741 PolarHBondContact O-N 3.46Å
738E52.2Low54.3Low97 Ų97113.7 Ų113.745%0.45359%0.592SS.*Hα-helixtrans-71.2-37.4172.9-67.2168.9142.500111.6L734 T735 K741 A742L734-E738 HydrophobicContact CB-CB 4.16Å; L734-E738 HydrophobicContact CD2-CB 3.81Å; L734-E738 HydrophobicContact CD2-CG 4.48Å; T735-E738 PolarHBondContact N-OE2 3.2Å; T735-E738 VanDerWaalsContact N-OE2 3.09Å; T735-E738 PolarHBondContact O-N 2.84Å; T735-E738 VanDerWaalsContact O-N 3.11Å; T735-E738 WeakPolarHBondContact OG1-CB 3.43Å; T735-E738 WeakPolarHBondContact OG1-CG 3.31Å; T735-E738 PolarHBondContact OG1-OE2 3.05Å; E738-K741 PolarHBondContact O-N 2.86Å; E738-A742 VanDerWaalsContact O-CB 3.23Å; E738-A742 WeakPolarHBondContact O-CB 3.28Å; E738-A742 PolarHBondContact O-N 3.14Å
739A60.7Low56.5Low43 Ų43115 Ų11536%0.35559%0.586SS.*Hα-helixtrans-64.4-39.5173.100000111.3T735 A743T735-A739 WeakPolarHBondContact O-CB 3.29Å; T735-A739 PolarHBondContact O-N 3.33Å; A739-A743 WeakPolarHBondContact O-CB 3.26Å; A739-A743 PolarHBondContact O-N 2.84Å
740A69.6Low59.1Low59 Ų59114 Ų11449%0.48857%0.573SS.*Hα-helixtrans-66-43.5175.100000112.2P736 E737 A743 E744P736-A740 VanDerWaalsContact O-CB 3.31Å; P736-A740 WeakPolarHBondContact O-CB 3.41Å; P736-A740 PolarHBondContact O-N 3.03Å; E737-A740 PolarHBondContact O-N 3.35Å; A740-A743 PolarHBondContact O-N 3.3Å; A740-E744 WeakPolarHBondContact O-CB 3.39Å; A740-E744 PolarHBondContact O-N 2.95Å
741K60.8Low61.5Low146 Ų146110.3 Ų110.364%0.63556%0.558SS**Hα-helixtrans-65.5-42.3175.1-82177.8179.1164.40112.4E737 E738 E744 Q745E737-K741 PolarHBondContact O-N 3.46Å; E738-K741 PolarHBondContact O-N 2.86Å; K741-E744 PolarHBondContact O-N 2.78Å; K741-Q745 WeakPolarHBondContact O-CB 3.34Å; K741-Q745 PolarHBondContact O-N 3.28Å
742A62Low63.1Low38 Ų38111.9 Ų111.931%0.31456%0.56SS.*Hα-helixtrans-65.2-42.1175.900000111.2E738 Q745 Q746E738-A742 VanDerWaalsContact O-CB 3.23Å; E738-A742 WeakPolarHBondContact O-CB 3.28Å; E738-A742 PolarHBondContact O-N 3.14Å; A742-Q745 PolarHBondContact O-N 3.33Å; A742-Q746 VanDerWaalsContact O-CB 3.32Å; A742-Q746 WeakPolarHBondContact O-CB 3.49Å; A742-Q746 PolarHBondContact O-N 3.32Å
743A73.1Confident65Low58 Ų58111.8 Ų111.848%0.47956%0.557SS.*Hα-helixtrans-64.5-42.2176.400000112A739 A740 Q746 R747A739-A743 WeakPolarHBondContact O-CB 3.26Å; A739-A743 PolarHBondContact O-N 2.84Å; A740-A743 PolarHBondContact O-N 3.3Å; A743-Q746 PolarHBondContact O-N 2.87Å; A743-R747 WeakPolarHBondContact O-CB 3.28Å; A743-R747 PolarHBondContact O-N 3.39Å
744E70.5Confident66.6Low64 Ų64109.6 Ų109.630%0.29954%0.542SS..Hα-helixtrans-65.5-39.6175.2178.961-157.100111.4A740 K741 R747 R748A740-E744 WeakPolarHBondContact O-CB 3.39Å; A740-E744 PolarHBondContact O-N 2.95Å; K741-E744 PolarHBondContact O-N 2.78Å; E744-R747 PolarHBondContact O-N 2.77Å; E744-R747 IonicContact OE1-NH2 3.21Å; E744-R747 PolarHBondContact OE1-NH2 3.18Å; E744-R747 IonicContact OE2-CZ 3.94Å; E744-R747 IonicContact OE2-NH1 3.8Å; E744-R747 PolarHBondContact OE2-NH1 3.42Å; E744-R747 IonicContact OE2-NH2 2.84Å; E744-R747 PolarHBondContact OE2-NH2 3.26Å; E744-R748 WeakPolarHBondContact O-CB 3.34Å; E744-R748 WeakPolarHBondContact O-CG 3.33Å; E744-R748 PolarHBondContact O-N 2.98Å; E744-R748 IonicContact OE1-CZ 3.7Å; E744-R748 IonicContact OE1-NE 3.63Å; E744-R748 PolarHBondContact OE1-NE 3.33Å; E744-R748 IonicContact OE1-NH2 2.87Å
745Q63.3Low67.5Low145 Ų145108.4 Ų108.468%0.67855%0.545SS*.Hα-helixtrans-65.1-40.2172.6-91.4-174.3-14.700112.6K741 A742 K749K741-Q745 WeakPolarHBondContact O-CB 3.34Å; K741-Q745 PolarHBondContact O-N 3.28Å; A742-Q745 PolarHBondContact O-N 3.33Å; Q745-K749 WeakPolarHBondContact O-CB 3.32Å; Q745-K749 PolarHBondContact O-N 3.03Å
746Q73.5Confident67.6Low118 Ų118113.9 Ų113.955%0.55156%0.557SS**Hα-helixtrans-65.1-44.8176.9-159.699.7-15.900110.2A742 A743 R748 K749 E750A742-Q746 VanDerWaalsContact O-CB 3.32Å; A742-Q746 WeakPolarHBondContact O-CB 3.49Å; A742-Q746 PolarHBondContact O-N 3.32Å; A743-Q746 PolarHBondContact O-N 2.87Å; Q746-R748 PolarHBondContact O-N 2.98Å; Q746-K749 CarbonylContact O-C 3.59Å; Q746-K749 WeakPolarHBondContact O-CA 3.25Å; Q746-K749 WeakPolarHBondContact O-CB 3.22Å; Q746-K749 PolarHBondContact O-N 3.24Å; Q746-K749 VanDerWaalsContact O-N 3.09Å; Q746-E750 PolarHBondContact O-N 3.22Å
747R75.9Confident68.3Low129 Ų129114.9 Ų114.949%0.48755%0.549SS..Hα-helixtrans-61.3-45.5177.6-158.9-178.481.1-140.3-17.5111.6A743 E744 K749 E750 E751A743-R747 WeakPolarHBondContact O-CB 3.28Å; A743-R747 PolarHBondContact O-N 3.39Å; E744-R747 PolarHBondContact O-N 2.77Å; E744-R747 IonicContact OE1-NH2 3.21Å; E744-R747 PolarHBondContact OE1-NH2 3.18Å; E744-R747 IonicContact OE2-CZ 3.94Å; E744-R747 IonicContact OE2-NH1 3.8Å; E744-R747 PolarHBondContact OE2-NH1 3.42Å; E744-R747 IonicContact OE2-NH2 2.84Å; E744-R747 PolarHBondContact OE2-NH2 3.26Å; R747-K749 VanDerWaalsContact C-N 3.27Å; R747-K749 PolarHBondContact O-N 3.32Å; R747-E750 PolarHBondContact O-N 2.72Å; R747-E750 VanDerWaalsContact O-N 3.16Å; R747-E751 IonicContact NE-OE1 2.81Å; R747-E751 PolarHBondContact NE-OE1 3.36Å; R747-E751 WeakPolarHBondContact O-CB 3.38Å; R747-E751 WeakPolarHBondContact O-CG 3.37Å; R747-E751 PolarHBondContact O-N 3.04Å
748R72.7Confident69Low161 Ų161114 Ų11461%0.60855%0.546SS*.Hα-helixtrans-61.9-33.3174-74179.2179.6-144.8-2.7113.1E744 Q746 K752E744-R748 WeakPolarHBondContact O-CB 3.34Å; E744-R748 WeakPolarHBondContact O-CG 3.33Å; E744-R748 PolarHBondContact O-N 2.98Å; E744-R748 IonicContact OE1-CZ 3.7Å; E744-R748 IonicContact OE1-NE 3.63Å; E744-R748 PolarHBondContact OE1-NE 3.33Å; E744-R748 IonicContact OE1-NH2 2.87Å; Q746-R748 PolarHBondContact O-N 2.98Å; R748-K752 WeakPolarHBondContact O-CB 3.4Å; R748-K752 PolarHBondContact O-N 3.14Å
749K69.4Low69.2Low160 Ų160111.4 Ų111.470%0.69655%0.545SS*.Hα-helixtrans-70.4-40.4174.6-108.6178.5178.2172.60111.7Q745 Q746 R747 K753Q745-K749 WeakPolarHBondContact O-CB 3.32Å; Q745-K749 PolarHBondContact O-N 3.03Å; Q746-K749 CarbonylContact O-C 3.59Å; Q746-K749 WeakPolarHBondContact O-CA 3.25Å; Q746-K749 WeakPolarHBondContact O-CB 3.22Å; Q746-K749 PolarHBondContact O-N 3.24Å; Q746-K749 VanDerWaalsContact O-N 3.09Å; R747-K749 VanDerWaalsContact C-N 3.27Å; R747-K749 PolarHBondContact O-N 3.32Å; K749-K753 PolarHBondContact O-N 2.97Å; K749-K753 VanDerWaalsContact O-N 3.1Å
750E80.2Confident69Low109 Ų109116 Ų11651%0.50956%0.557SS.*Hα-helixtrans-69.9-46177.9-74.7-179.6173.900111.4Q746 R747 K752 K753 E754Q746-E750 PolarHBondContact O-N 3.22Å; R747-E750 PolarHBondContact O-N 2.72Å; R747-E750 VanDerWaalsContact O-N 3.16Å; E750-K752 VanDerWaalsContact C-N 3.31Å; E750-K752 PolarHBondContact O-N 3.22Å; E750-K753 CarbonylContact O-C 3.59Å; E750-K753 WeakPolarHBondContact O-CA 3.42Å; E750-K753 VanDerWaalsContact O-CB 3.32Å; E750-K753 WeakPolarHBondContact O-CB 3.28Å; E750-K753 PolarHBondContact O-N 2.9Å; E750-E754 PolarHBondContact O-N 2.87Å
751E78Confident68.5Low105 Ų105118.4 Ų118.449%0.49156%0.561SS.*Hα-helixtrans-55.5-43.9173.4-75.9169.7-170.800111.8R747 K753 E754 A755R747-E751 IonicContact NE-OE1 2.81Å; R747-E751 PolarHBondContact NE-OE1 3.36Å; R747-E751 WeakPolarHBondContact O-CB 3.38Å; R747-E751 WeakPolarHBondContact O-CG 3.37Å; R747-E751 PolarHBondContact O-N 3.04Å; E751-K753 VanDerWaalsContact C-N 3.29Å; E751-K753 PolarHBondContact O-N 3.27Å; E751-E754 PolarHBondContact O-N 3.15Å; E751-A755 WeakPolarHBondContact O-CB 3.4Å; E751-A755 PolarHBondContact O-N 3.25Å
752K68Low68.1Low169 Ų169118.2 Ų118.274%0.73556%0.56SS**Hα-helixtrans-63.7-32.4173.2-92.6-176.4174.21780113R748 E750 R756R748-K752 WeakPolarHBondContact O-CB 3.4Å; R748-K752 PolarHBondContact O-N 3.14Å; E750-K752 VanDerWaalsContact C-N 3.31Å; E750-K752 PolarHBondContact O-N 3.22Å; K752-R756 VanDerWaalsContact O-CB 3.3Å; K752-R756 WeakPolarHBondContact O-CB 3.46Å; K752-R756 PolarHBondContact O-N 2.81Å
753K73.3Confident67.4Low153 Ų153118.7 Ų118.767%0.66556%0.564SS**Hα-helixtrans-75.7-41.6178.2-118.5-179.2179179.80111.3K749 E750 E751 R756 K757K749-K753 PolarHBondContact O-N 2.97Å; K749-K753 VanDerWaalsContact O-N 3.1Å; E750-K753 CarbonylContact O-C 3.59Å; E750-K753 WeakPolarHBondContact O-CA 3.42Å; E750-K753 VanDerWaalsContact O-CB 3.32Å; E750-K753 WeakPolarHBondContact O-CB 3.28Å; E750-K753 PolarHBondContact O-N 2.9Å; E751-K753 VanDerWaalsContact C-N 3.29Å; E751-K753 PolarHBondContact O-N 3.27Å; K753-R756 PolarHBondContact O-N 2.95Å; K753-K757 PolarHBondContact O-N 3.23Å
754E73.4Confident66Low122 Ų122123.5 Ų123.557%0.5757%0.574SS**Hα-helixtrans-61.5-52.2176.4-136.576.1-149.700109.8E750 E751 R756 K757 E758E750-E754 PolarHBondContact O-N 2.87Å; E751-E754 PolarHBondContact O-N 3.15Å; E754-R756 PolarHBondContact O-N 3.46Å; E754-R756 VanDerWaalsContact O-N 3.17Å; E754-K757 WeakPolarHBondContact O-CA 3.32Å; E754-K757 WeakPolarHBondContact O-CB 3.46Å; E754-K757 PolarHBondContact O-N 3.03Å; E754-E758 PolarHBondContact O-N 3.28Å
755A65.9Low64.9Low65 Ų65126.7 Ų126.754%0.53759%0.589SS.*Hα-helixtrans-56.5-36.7176.800000112.1E751 G759E751-A755 WeakPolarHBondContact O-CB 3.4Å; E751-A755 PolarHBondContact O-N 3.25Å; A755-G759 PolarHBondContact O-N 2.86Å
756R66Low63.7Low187 Ų187127.1 Ų127.171%0.70659%0.591SS**Hα-helixtrans-75.1-32.2177.5-157.7175.9-171.2-168.93112.9K752 K753 E754 K760K752-R756 VanDerWaalsContact O-CB 3.3Å; K752-R756 WeakPolarHBondContact O-CB 3.46Å; K752-R756 PolarHBondContact O-N 2.81Å; K753-R756 PolarHBondContact O-N 2.95Å; E754-R756 PolarHBondContact O-N 3.46Å; E754-R756 VanDerWaalsContact O-N 3.17Å; R756-K760 WeakPolarHBondContact O-CB 3.46Å; R756-K760 WeakPolarHBondContact O-CG 3.26Å; R756-K760 PolarHBondContact O-N 3.06Å; R756-K760 VanDerWaalsContact O-N 3.08Å
757K73.4Confident62Low138 Ų138128.2 Ų128.260%0.660%0.596SS**Hα-helixtrans-69.7-44.4173-95.9-177.1175.5178.60111K753 E754 K760 L761K753-K757 PolarHBondContact O-N 3.23Å; E754-K757 WeakPolarHBondContact O-CA 3.32Å; E754-K757 WeakPolarHBondContact O-CB 3.46Å; E754-K757 PolarHBondContact O-N 3.03Å; K757-K760 CarbonylContact O-C 3.55Å; K757-K760 PolarHBondContact O-N 3.12Å; K757-K760 VanDerWaalsContact O-N 3.14Å; K757-L761 PolarHBondContact O-N 2.77Å
758E66.4Low60.1Low129 Ų129126.5 Ų126.560%0.60360%0.603SS**Hα-helixtrans-63.9-43179.2-141.6-178.2-173.200110.9E754 K760 L761 K762E754-E758 PolarHBondContact O-N 3.28Å; E758-K760 VanDerWaalsContact C-N 3.35Å; E758-K760 PolarHBondContact O-N 3.25Å; E758-L761 PolarHBondContact O-N 3Å; E758-K762 PolarHBondContact O-N 3.41Å
759G57.7Low58Low42 Ų42123.4 Ų123.443%0.43361%0.607SS.*Hα-helixtrans-60.2-40.8170.800000113.1A755 A763A755-G759 PolarHBondContact O-N 2.86Å; G759-A763 WeakPolarHBondContact O-CB 3.24Å; G759-A763 PolarHBondContact O-N 3.34Å
760K55.5Low56.2Low140 Ų140123.6 Ų123.661%0.60961%0.61SS**Hα-helixtrans-69.4-33.6176.2-85.4-175.2174.2-172.90113.4R756 K757 E758 K764R756-K760 WeakPolarHBondContact O-CB 3.46Å; R756-K760 WeakPolarHBondContact O-CG 3.26Å; R756-K760 PolarHBondContact O-N 3.06Å; R756-K760 VanDerWaalsContact O-N 3.08Å; K757-K760 CarbonylContact O-C 3.55Å; K757-K760 PolarHBondContact O-N 3.12Å; K757-K760 VanDerWaalsContact O-N 3.14Å; E758-K760 VanDerWaalsContact C-N 3.35Å; E758-K760 PolarHBondContact O-N 3.25Å; K760-K764 WeakPolarHBondContact O-CB 3.27Å; K760-K764 PolarHBondContact O-N 2.77Å
761L60.4Low53.7Low109 Ų109125.6 Ų125.657%0.57162%0.624SS**Hα-helixtrans-71.9-41.1178.5-127.3114.3000110.9K757 E758 A763 K764 Q765K757-L761 PolarHBondContact O-N 2.77Å; E758-L761 PolarHBondContact O-N 3Å; L761-A763 VanDerWaalsContact C-N 3.34Å; L761-A763 PolarHBondContact O-N 3.24Å; L761-K764 PolarHBondContact O-N 3.45Å; L761-Q765 PolarHBondContact O-N 3.39Å
762K51.1Low51.1Low141 Ų141130.1 Ų130.161%0.61364%0.642SS**Hα-helixtrans-60.5-42.7171.6-75.6-179.1177174.60111.7E758 Q766E758-K762 PolarHBondContact O-N 3.41Å; K762-Q766 PolarHBondContact O-N 3.46Å
763A46.7Very low49Very low48 Ų48128.9 Ų128.940%0.39764%0.643SS.*Hα-helixtrans-66-38.5174.800000113.1G759 L761 Q766 Q767G759-A763 WeakPolarHBondContact O-CB 3.24Å; G759-A763 PolarHBondContact O-N 3.34Å; L761-A763 VanDerWaalsContact C-N 3.34Å; L761-A763 PolarHBondContact O-N 3.24Å; A763-Q766 PolarHBondContact O-N 3.45Å; A763-Q767 PolarHBondContact O-N 3.44Å; A763-Q767 VanDerWaalsContact O-N 3.16Å
764K45.5Very low46.6Very low159 Ų159131.4 Ų131.469%0.69165%0.648SS**Hα-helixtrans-70.7-35.1178.2-101.6-174.2171.6-174.40113.3K760 L761 Q766 Q767 S768K760-K764 WeakPolarHBondContact O-CB 3.27Å; K760-K764 PolarHBondContact O-N 2.77Å; L761-K764 PolarHBondContact O-N 3.45Å; K764-Q766 VanDerWaalsContact C-N 3.34Å; K764-Q767 PolarHBondContact O-N 3.37Å; K764-S768 WeakPolarHBondContact O-CB 3.15Å; K764-S768 PolarHBondContact O-N 3.47Å; K764-S768 PolarHBondContact O-OG 2.94Å
765Q46.3Very low44.2Very low131 Ų131132.5 Ų132.561%0.61266%0.664SS**Hα-helixtrans-67.5-36.8175.6-77.3-180-600111.3L761 S768L761-Q765 PolarHBondContact O-N 3.39Å; Q765-S768 PolarHBondContact O-OG 3.31Å; Q765-S768 VanDerWaalsContact O-OG 3.11Å
766Q39Very low42.2Very low155 Ų155134.7 Ų134.772%0.72467%0.67SS**Hα-helixtrans-67.3-33.6173-95176.5-25.500113.8K762 A763 K764 S769K762-Q766 PolarHBondContact O-N 3.46Å; A763-Q766 PolarHBondContact O-N 3.45Å; K764-Q766 VanDerWaalsContact C-N 3.34Å; Q766-S769 PolarHBondContact O-OG 2.67Å
767Q37.3Very low40.1Very low140 Ų140131.6 Ų131.665%0.65467%0.672SS**Hα-helixtrans-85.2-19.5178.9-77.7-178.9-14.900114.5A763 K764 S769 E770A763-Q767 PolarHBondContact O-N 3.44Å; A763-Q767 VanDerWaalsContact O-N 3.16Å; K764-Q767 PolarHBondContact O-N 3.37Å; Q767-S769 PolarHBondContact O-N 2.97Å; Q767-E770 PolarHBondContact O-N 2.9Å
768S35.1Very low37.6Very low93 Ų93131.8 Ų131.865%0.6568%0.684SS**THydrogen-bonded Turntrans-73.5-10.8179.6670000114.4K764 Q765K764-S768 WeakPolarHBondContact O-CB 3.15Å; K764-S768 PolarHBondContact O-N 3.47Å; K764-S768 PolarHBondContact O-OG 2.94Å; Q765-S768 PolarHBondContact O-OG 3.31Å; Q765-S768 VanDerWaalsContact O-OG 3.11Å
769S30.3Very low35.5Very low96 Ų96128.9 Ų128.967%0.67169%0.689SS**THydrogen-bonded Turntrans-81.4-13.8174.8160000114.7Q766 Q767Q766-S769 PolarHBondContact O-OG 2.67Å; Q767-S769 PolarHBondContact O-N 2.97Å
770E30.2Very low33.9Very low164 Ų164135.3 Ų135.377%0.76671%0.707SS**THydrogen-bonded Turntrans-111.4-14-174.8-74.1-177.9158.200114.8Q767 K772Q767-E770 PolarHBondContact O-N 2.9Å; E770-K772 VanDerWaalsContact C-N 3.34Å; E770-K772 PolarHBondContact O-N 3.46Å; E770-K772 VanDerWaalsContact O-N 3.14Å
771N27.6Very low32.3Very low151 Ų151136.1 Ų136.181%0.80771%0.713SS**  trans-9345.6-174.7-90.5-15.9000115.2
772K25.1Very low30.5Very low200 Ų200136.5 Ų136.587%0.8772%0.72SS**  trans-120.458.4163.2-94.5-170.4179.51790110.5E770E770-K772 VanDerWaalsContact C-N 3.34Å; E770-K772 PolarHBondContact O-N 3.46Å; E770-K772 VanDerWaalsContact O-N 3.14Å
773L23.8Very low29.2Very low143 Ų143137.2 Ų137.275%0.74973%0.729SS**SBendtrans-148.196.9159.3-143.471.8000112.6
774R22.7Very low28Very low207 Ų207142.3 Ų142.378%0.78175%0.75SS**  trans73.484.2140.3-66.2176.7176.7176.4-4117.9
775T21.9Very low27.1Very low145 Ų145144.2 Ų144.289%0.8976%0.758SS**  trans-54.9123.81317.60000110.8
776T23.6Very low26.1Very low110 Ų110143.2 Ų143.268%0.67576%0.763SS**  trans-157110.5163.1-40.40000111
777V22.4Very low25.4Very low122 Ų122141.6 Ų141.674%0.73976%0.764SS**  trans62.9106.3137.2-176.30000117.3
778V21.5Very low24.6Very low143 Ų143139.6 Ų139.687%0.86777%0.765SS**  69.6122.573.5179.50000114.9
779G21.9Very low24.2Very low67 Ų67142.5 Ų142.569%0.69177%0.773SS**  trans126.8141.5135.200000119.8
780H24.7Very low23.8Very low178 Ų178147 Ų14782%0.82478%0.781SS**  trans85.6110.3162.3-90.659.2000118.8
781E22Very low23.5Very low156 Ų156147.4 Ų147.473%0.72979%0.787SS**  cis81.7107.549.3-79.7-165.8163.100116.6
782T21.2Very low23.1Very low117 Ų117147.9 Ų147.972%0.71879%0.787SS**  trans58.314413251.30000123.7
783I23.9Very low22.9Very low156 Ų156149.6 Ų149.680%0.879%0.789SS**  trans148.7103143.4-75.1157.4000107.8
784N22.8Very low22.8Very low156 Ų156149.9 Ų149.983%0.83479%0.785SS**  84.7128.673.6-90.4-22.2000116.3
785K25.8Very low22.7Very low198 Ų198148.4 Ų148.486%0.86179%0.786SS**  trans-55.7167.7179.6-64.6169.4164.2174.90114.5
786P25.7Very low22.7Very low110 Ų110147 Ų14771%0.71478%0.783SS**  -155.5160.397.140-20.5000118.4
787T23.5Very low22.5Very low122 Ų122149.1 Ų149.175%0.74879%0.79SS**  trans55122140.649.60000121.4
788S21.4Very low22.5Very low98 Ų98152.9 Ų152.969%0.68580%0.799SS**  cis77109.546.779.70000116.4
789D26.4Very low22.4Very low153 Ų153151.3 Ų151.382%0.81880%0.795SS**  trans-174.9112.4146.5-92.5-26.6000108.6
790K21.6Very low22.6Very low192 Ų192156 Ų15684%0.83580%0.804SS**  62.411277.2-84.6-172.8179175.10115.4
791L23.2Very low22.4Very low172 Ų172153.1 Ų153.190%0.90180%0.804SS**  trans-175.889.1150.4-93.3165.1000106.3
792M20.3Very low22.4Very low161 Ų161152.5 Ų152.579%0.79381%0.811SS**  39.710083.9-78.6-154.3145.400116.8
793Y20.2Very low22.3Very low235 Ų235156.5 Ų156.592%0.92282%0.818SS**  trans-136.3138.2145.6-150.7-98.2000109
794K21.9Very low22.1Very low150 Ų150154.6 Ų154.665%0.65282%0.817SS**  trans-135.6156.8-157.9-139.6-176.1-170.1-178.30107.8
795Q20.1Very low22.1Very low175 Ų175156.3 Ų156.382%0.81882%0.82SS**  trans77.5142.8163-60.1171.9-20.400114.9
796S22.1Very low21.9Very low116 Ų116155 Ų15581%0.81182%0.817SS**  cis-160.6153.220.236.80000111.1
797N19.7Very low21.6Very low155 Ų155158.5 Ų158.583%0.82983%0.829SS**  trans-57.8147.5172.5-62.3-32.7000113.7
798Q21.9Very low21.6Very low200 Ų200161.4 Ų161.494%0.93583%0.831SS**  trans-156.6130.1136.4-111.6168.111.300110.7
799S21.1Very low21.7Very low110 Ų110162.6 Ų162.677%0.76984%0.837SS**  trans-98.2126-176.549.70000109.6
800D24.8Very low21.7Very low165 Ų165162.1 Ų162.188%0.88284%0.839SS**  trans-120.4113.9165.2-84.9-36000109.9
801S20.4Very low21.8Very low119 Ų119157.8 Ų157.883%0.83283%0.833SS**  trans-89.2119.617253.80000109.6
802V22.5Very low22Very low143 Ų143155.5 Ų155.587%0.86783%0.829SS**  trans-129.8142.5165.9-179.30000110.6
803K20.1Very low22.1Very low200 Ų200157.3 Ų157.387%0.8783%0.832SS**PPolyproline II helixtrans-64.2148.4-159-77.4162.1169.2173.20116.5
804C19Very low22.2Very low117 Ų117152.5 Ų152.579%0.79183%0.826SS**PPolyproline II helixtrans-69.5131.2162.1-176.10000111.4
805E22Very low22.3Very low192 Ų192152 Ų15290%0.89783%0.829SS**PPolyproline II helixtrans-103.6132.1162.6-87.5-174.9160.400110.4
806Q21.1Very low22.5Very low170 Ų170149.6 Ų149.679%0.79483%0.826SS**PPolyproline II helixtrans-89.6128.8-177.8-69172.7-14.200110.2
807L20.7Very low22.6Very low184 Ų184153 Ų15396%0.96383%0.827SS**  trans-114.6121.3160.8-79.1165.6000109.3
808K22.9Very low23Very low182 Ų182152.6 Ų152.679%0.79183%0.825SS**PPolyproline II helixtrans-81.9158.4-173.6-88.7-179.4179.9176.20112.9
809P24.4Very low23.3Very low124 Ų124152.2 Ų152.281%0.80582%0.823SS**PPolyproline II helixtrans-89.2144.4-164.434.6-31.3000113.5
810V25Very low23.7Very low143 Ų143156.2 Ų156.287%0.86783%0.826SS**PPolyproline II helixtrans-92126.7174.6178.20000109.5
811S24.5Very low23.8Very low100 Ų100155.5 Ų155.570%0.69982%0.818SS**PPolyproline II helixtrans-74.8148.4-17845.70000113.1
812P27Very low24Very low125 Ų125158.1 Ų158.181%0.81281%0.814SS**PPolyproline II helixtrans-86.4123.6-175.28.210.3000111.1
813K22.5Very low24.3Very low199 Ų199159 Ų15987%0.86581%0.809SS**PPolyproline II helixtrans-79.5119.9171.6-79.4-177.6177177.50110.6I815K813-I815 PolarHBondContact O-N 3.07Å
814V21.5Very low24.6Very low133 Ų133153 Ų15381%0.80679%0.792SS**PPolyproline II helixtrans-56.4120.5169.5176.60000110V816V814-V816 HydrophobicContact CG1-CG2 4.19Å
815I24.5Very low25Very low139 Ų139154 Ų15471%0.71379%0.788SS**  trans-115.9107166.6-63.1176.5000107.4K813 K817K813-I815 PolarHBondContact O-N 3.07Å; I815-K817 HydrophobicContact CG2-CG 4.26Å
816V24.1Very low25.2Very low125 Ų125151.5 Ų151.576%0.75878%0.781SS**  trans-70.1120.6169.6179.40000107.8V814V814-V816 HydrophobicContact CG1-CG2 4.19Å
817K25.9Very low25.4Very low189 Ų189152.6 Ų152.682%0.82278%0.783SS**  trans-126.7125.5173-98.2-178178.41780111.7I815I815-K817 HydrophobicContact CG2-CG 4.26Å
818N27.8Very low25.6Very low146 Ų146151.8 Ų151.878%0.78178%0.776SS**  trans-51.5149.9-172.6-74.8-28000117K820N818-K820 PolarHBondContact O-N 3.3Å
819E28.1Very low25.6Very low192 Ų192148 Ų14890%0.89777%0.773SS**G310 helixtrans-64.717.9-178.3-64.6-178.6130.200116.9
820K28.2Very low25.6Very low193 Ų193144.9 Ų144.984%0.83976%0.763SS**G310 helixtrans-927.7178.1-84.2-172.8174-1780115.5N818N818-K820 PolarHBondContact O-N 3.3Å
821Q26.7Very low25.6Very low150 Ų150144.2 Ų144.270%0.70176%0.759SS**G310 helixtrans-101.81.1173.2-79.2-174.4-10.700114.7S824Q821-S824 PolarHBondContact O-OG 3.06Å
822K26.4Very low25.8Very low174 Ų174148.7 Ų148.776%0.75777%0.766SS**Hα-helixtrans-77.4-22.3174.9-117178179.5177.90113.5
823E27.9Very low25.6Very low163 Ų163152.7 Ų152.776%0.76277%0.771SS**Hα-helixtrans-86.9-17.4178.4-86.3-177.914700114.8
824S26.7Very low26.1Very low73 Ų73150 Ų15051%0.5176%0.762SS.*Hα-helixtrans-85.6-20174.856.20000113.5Q821Q821-S824 PolarHBondContact O-OG 3.06Å
825L26.4Very low27.1Very low137 Ų137146.1 Ų146.172%0.71774%0.74SS**Hα-helixtrans-80.6-20.7177.7-78.4161.1000113.5
826L26.9Very low28.4Very low141 Ų141149 Ų14974%0.73875%0.747SS**THydrogen-bonded Turntrans-82.7-9.2176.8-78.9160.2000114
827K25.5Very low30.4Very low192 Ų192144.7 Ų144.784%0.83572%0.72SS**THydrogen-bonded Turntrans-97.21.8176.3-84.8-177.2176175.50115
828M25.3Very low32.8Very low168 Ų168137.4 Ų137.483%0.82870%0.695SS**  trans-1099.9177.4-79.3-167.666.500115.3G830M828-G830 PolarHBondContact O-N 3.35Å
829S23Very low35.4Very low103 Ų103131.2 Ų131.272%0.7266%0.662SS**  trans-80.411.6166.470.90000113.5T831S829-T831 PolarHBondContact O-N 3.42Å
830G24.1Very low38.1Very low58 Ų58129.1 Ų129.160%0.59865%0.652SS**  trans-52111.2169.100000110M828 K832M828-G830 PolarHBondContact O-N 3.35Å; G830-K832 PolarHBondContact O-N 2.95Å
831T25.2Very low40.9Very low129 Ų129120.6 Ų120.679%0.79162%0.617SS**  trans-37.7104.4179.4-27.40000109.7S829 K833S829-T831 PolarHBondContact O-N 3.42Å; T831-K833 PolarHBondContact O-N 3.4Å
832K27.4Very low43.8Very low193 Ų193114.9 Ų114.984%0.83959%0.594SS**  trans-57.2110.8171.8-90.1-178.5176.4176.60106.1G830 Q834G830-K832 PolarHBondContact O-N 2.95Å; K832-Q834 VanDerWaalsContact C-N 3.25Å; K832-Q834 PolarHBondContact O-N 3.01Å
833K24.2Very low46.9Very low209 Ų209108 Ų10891%0.90956%0.564SS**  trans-51.394.3165.4-79.4179.9173.61790107.3T831 S835T831-K833 PolarHBondContact O-N 3.4Å; K833-S835 PolarHBondContact O-N 3.45Å; K833-S835 VanDerWaalsContact O-N 3.12Å
834Q32.5Very low49.5Very low144 Ų144107.5 Ų107.567%0.67356%0.562SS**  trans-61.9115.8174.2-97.3174.8-19.300107.3K167 K832K167-Q834 PolarHBondContact NZ-O 3.3Å; K832-Q834 VanDerWaalsContact C-N 3.25Å; K832-Q834 PolarHBondContact O-N 3.01Å
835S41.5Very low51.9Low51 Ų51109.9 Ų109.936%0.35757%0.573SS.*  trans-67.4151.3177.173.50000109.5K833 L837 A838K833-S835 PolarHBondContact O-N 3.45Å; K833-S835 VanDerWaalsContact O-N 3.12Å; S835-L837 PolarHBondContact O-N 3.21Å; S835-L837 PolarHBondContact OG-N 3.45Å; S835-A838 PolarHBondContact O-N 3.36Å
836K53.5Low54.6Low199 Ų199106.3 Ų106.387%0.86556%0.555SS**THydrogen-bonded Turntrans-64.2-1.1173.2-72.8-175.9174.5179.30113.9
837L65Low57.4Low35 Ų35100 Ų10018%0.18352%0.522CS..THydrogen-bonded Turntrans-95.5-20.5-174-71.5165.1000113S835 W1177 N1180 L1184S835-L837 PolarHBondContact O-N 3.21Å; S835-L837 PolarHBondContact OG-N 3.45Å; L837-W1177 HydrophobicContact CD1-CZ2 4.16Å; L837-N1180 WeakPolarHBondContact CB-OD1 3.33Å; L837-N1180 WeakPolarHBondContact CD1-OD1 3.28Å; L837-L1184 HydrophobicContact CB-CD2 4.27Å; L837-L1184 HydrophobicContact CD2-CD2 4.02Å; L837-L1184 WeakPolarHBondContact O-CD2 3.46Å
838A75.4Confident60.4Low35 Ų3593 Ų9329%0.28950%0.496SS..SBendtrans-69.6144-177.600000111.4S835 K857S835-A838 PolarHBondContact O-N 3.36Å; A838-K857 PolarHBondContact O-NZ 3.14Å
839I84.3Confident63.2Low17 Ų1788 Ų889%0.08747%0.473CS..  trans-75.3132.1167.9-57.4-179.9000107.6A841 E853 L854 L1184I839-A841 WeakPolarHBondContact CG2-O 3.31Å; I839-E853 WeakPolarHBondContact CA-OE2 2.95Å; I839-E853 HydrophobicContact CG2-CB 4.24Å; I839-L854 HydrophobicContact CD1-CB 3.99Å; I839-L854 HydrophobicContact CD1-CD1 3.43Å; I839-L854 VanDerWaalsContact CD1-CD1 3.43Å; I839-L854 HydrophobicContact CD1-CG 4.3Å; I839-L1184 HydrophobicContact CD1-CD1 4.25Å; I839-L1184 HydrophobicContact CG1-CD1 4.14Å
840E84.7Confident66.6Low148 Ų14883 Ų8369%0.69244%0.439SS*.  trans-100.5-35.6-174.5-62.3178.7-163.400111.3E853E840-E853 PolarHBondContact N-OE2 2.82Å
841A86.4Confident70Confident13 Ų1380.4 Ų80.411%0.10741%0.411CS..SBendtrans-77.8145.8174.500000111.7I839 D846 D849 W850I839-A841 WeakPolarHBondContact CG2-O 3.31Å; A841-D846 HydrophobicContact CB-CB 4.31Å; A841-D849 HydrophobicContact CB-CB 3.88Å; A841-W850 HydrophobicContact CB-CB 4.04Å; A841-W850 VanDerWaalsContact CB-N 3.32Å
842S88.2Confident73.1Confident31 Ų3175.6 Ų75.622%0.21738%0.382CS..  trans-99.5135.6177.4-179.90000111E844 T845 D846 D1112S842-E844 PolarHBondContact O-N 2.83Å; S842-T845 PolarHBondContact O-N 3.06Å; S842-D846 CarbonylContact O-C 3.52Å; S842-D846 VanDerWaalsContact O-C 3.27Å; S842-D846 WeakPolarHBondContact O-CA 3.49Å; S842-D846 PolarHBondContact O-N 3.34Å; S842-D1112 WeakPolarHBondContact CB-OD2 3.45Å; S842-D1112 PolarHBondContact OG-OD2 3.2Å
843K90Very high76.2Confident28 Ų2868.5 Ų68.512%0.12235%0.352CS..THydrogen-bonded Turntrans-53.8-35.5177-172.7178.6-172.6177.70113.1F847 W850 M1107 V1108 S1110 D1112K843-F847 HydrophobicContact CG-CD2 3.95Å; K843-F847 HydrophobicContact CG-CE2 4.06Å; K843-F847 WeakPolarHBondContact O-CD2 3.15Å; K843-W850 HydrophobicContact CB-CD2 3.7Å; K843-W850 HydrophobicContact CB-CE3 4.19Å; K843-W850 HydrophobicContact CB-CG 3.91Å; K843-W850 HydrophobicContact CB-CZ2 4.21Å; K843-W850 HydrophobicContact CD-CD2 4.48Å; K843-W850 HydrophobicContact CD-CH2 3.73Å; K843-W850 HydrophobicContact CD-CZ2 3.66Å; K843-W850 HydrophobicContact CD-CZ3 4.16Å; K843-W850 HydrophobicContact CG-CD2 3.84Å; K843-W850 HydrophobicContact CG-CE3 3.82Å; K843-W850 HydrophobicContact CG-CH2 3.96Å; K843-W850 HydrophobicContact CG-CZ2 3.94Å; K843-W850 HydrophobicContact CG-CZ3 3.9Å; K843-M1107 WeakPolarHBondContact CE-O 3.25Å; K843-M1107 PolarHBondContact NZ-O 2.97Å; K843-V1108 PolarHBondContact NZ-O 3.46Å; K843-S1110 WeakPolarHBondContact CD-O 3.47Å; K843-S1110 PolarHBondContact NZ-O 3.37Å; K843-D1112 WeakPolarHBondContact CB-OD1 3.21Å; K843-D1112 PolarHBondContact N-OD1 3.12Å
844E83.7Confident79.6Confident153 Ų15358.6 Ų58.672%0.71531%0.309SS*.THydrogen-bonded Turntrans-79.5-38-174.3-68.4-175.3177.800113.1S842S842-E844 PolarHBondContact O-N 2.83Å
845T77.4Confident82.7Confident123 Ų12351.7 Ų51.776%0.75528%0.277SS*.THydrogen-bonded Turntrans-103.1-25.1-172.461.30000113.7S842S842-T845 PolarHBondContact O-N 3.06Å
846D83.3Confident85.2Confident62 Ų6252 Ų5233%0.33227%0.274SS..  trans-143.865.3-175.1-166.7-8.2000110.7A841 S842 S848 D849 W850A841-D846 HydrophobicContact CB-CB 4.31Å; S842-D846 CarbonylContact O-C 3.52Å; S842-D846 VanDerWaalsContact O-C 3.27Å; S842-D846 WeakPolarHBondContact O-CA 3.49Å; S842-D846 PolarHBondContact O-N 3.34Å; D846-S848 VanDerWaalsContact C-N 3.32Å; D846-S848 PolarHBondContact O-N 3.27Å; D846-D849 WeakPolarHBondContact OD1-CB 3.48Å; D846-D849 PolarHBondContact OD1-N 2.86Å; D846-W850 WeakPolarHBondContact O-CB 3.49Å; D846-W850 PolarHBondContact O-N 2.57Å
847F85.8Confident87.1Confident10 Ų1044.8 Ų44.84%0.04424%0.242CC..Hα-helixtrans-62.2-37.7-170.1-171.4-87.8000112.7K843 W850 Y851 I1052 N1055 M1107 Y1346K843-F847 HydrophobicContact CG-CD2 3.95Å; K843-F847 HydrophobicContact CG-CE2 4.06Å; K843-F847 WeakPolarHBondContact O-CD2 3.15Å; F847-W850 HydrophobicContact CD2-CE3 4.18Å; F847-W850 HydrophobicContact CD2-CZ3 4.32Å; F847-W850 HydrophobicContact CE2-CE3 4.16Å; F847-W850 AromaticContact CE2-CZ3 3.82Å; F847-W850 HydrophobicContact CE2-CZ3 3.82Å; F847-W850 HydrophobicContact CZ-CE3 4.48Å; F847-W850 AromaticContact CZ-CZ3 3.99Å; F847-W850 HydrophobicContact CZ-CZ3 3.99Å; F847-Y851 VanDerWaalsContact O-CB 3.28Å; F847-Y851 WeakPolarHBondContact O-CB 3.12Å; F847-Y851 PolarHBondContact O-N 2.98Å; F847-I1052 HydrophobicContact CE2-CG2 4.06Å; F847-I1052 HydrophobicContact CZ-CG2 3.69Å; F847-N1055 HydrophobicContact CG-CB 4.35Å; F847-M1107 HydrophobicContact CE1-CG 4.15Å; F847-M1107 HydrophobicContact CE1-SD 3.76Å; F847-M1107 HydrophobicContact CZ-CB 4.01Å; F847-M1107 HydrophobicContact CZ-CG 3.69Å; F847-M1107 HydrophobicContact CZ-SD 3.73Å; F847-Y1346 VanDerWaalsContact CE1-OH 3.26Å; F847-Y1346 WeakPolarHBondContact CE1-OH 3.36Å
848S86.7Confident88.6Confident43 Ų4343.1 Ų43.130%0.30123%0.234SC..Hα-helixtrans-68.4-48.5-178.5178.30000112.4D846 Y851 S852D846-S848 VanDerWaalsContact C-N 3.32Å; D846-S848 PolarHBondContact O-N 3.27Å; S848-Y851 PolarHBondContact O-N 3.4Å; S848-S852 WeakPolarHBondContact O-CB 3.24Å; S848-S852 PolarHBondContact O-N 3.08Å; S848-S852 PolarHBondContact O-OG 3.42Å
849D85Confident89.6Confident63 Ų6344.3 Ų44.334%0.33723%0.233SC..Hα-helixtrans-71.2-37.1178-75.6-0.9000110.3K475 A841 D846 Y851 S852 E853K475-D849 IonicContact NZ-OD2 2.7Å; A841-D849 HydrophobicContact CB-CB 3.88Å; D846-D849 WeakPolarHBondContact OD1-CB 3.48Å; D846-D849 PolarHBondContact OD1-N 2.86Å; D849-Y851 PolarHBondContact O-N 2.87Å; D849-S852 PolarHBondContact O-N 3.33Å; D849-E853 WeakPolarHBondContact O-CB 3.46Å; D849-E853 WeakPolarHBondContact O-CG 3.43Å; D849-E853 PolarHBondContact O-N 3.18Å
850W93.7Very high90.2Very high0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-55.3-50.3171.9167.783.3000111.5A841 K843 D846 F847 S852 E853 L854 S1110 D1111A841-W850 HydrophobicContact CB-CB 4.04Å; A841-W850 VanDerWaalsContact CB-N 3.32Å; K843-W850 HydrophobicContact CB-CD2 3.7Å; K843-W850 HydrophobicContact CB-CE3 4.19Å; K843-W850 HydrophobicContact CB-CG 3.91Å; K843-W850 HydrophobicContact CB-CZ2 4.21Å; K843-W850 HydrophobicContact CD-CD2 4.48Å; K843-W850 HydrophobicContact CD-CH2 3.73Å; K843-W850 HydrophobicContact CD-CZ2 3.66Å; K843-W850 HydrophobicContact CD-CZ3 4.16Å; K843-W850 HydrophobicContact CG-CD2 3.84Å; K843-W850 HydrophobicContact CG-CE3 3.82Å; K843-W850 HydrophobicContact CG-CH2 3.96Å; K843-W850 HydrophobicContact CG-CZ2 3.94Å; K843-W850 HydrophobicContact CG-CZ3 3.9Å; D846-W850 WeakPolarHBondContact O-CB 3.49Å; D846-W850 PolarHBondContact O-N 2.57Å; F847-W850 HydrophobicContact CD2-CE3 4.18Å; F847-W850 HydrophobicContact CD2-CZ3 4.32Å; F847-W850 HydrophobicContact CE2-CE3 4.16Å; F847-W850 AromaticContact CE2-CZ3 3.82Å; F847-W850 HydrophobicContact CE2-CZ3 3.82Å; F847-W850 HydrophobicContact CZ-CE3 4.48Å; F847-W850 AromaticContact CZ-CZ3 3.99Å; F847-W850 HydrophobicContact CZ-CZ3 3.99Å; W850-S852 PolarHBondContact O-N 3.47Å; W850-E853 PolarHBondContact O-N 3.18Å; W850-L854 HydrophobicContact CH2-CD2 3.79Å; W850-L854 HydrophobicContact CZ2-CD2 3.52Å; W850-L854 HydrophobicContact CZ3-CD2 4.47Å; W850-L854 WeakPolarHBondContact O-CB 3.48Å; W850-L854 PolarHBondContact O-N 3.09Å; W850-S1110 WeakPolarHBondContact CZ2-O 3.42Å; W850-D1111 PolarHBondContact NE1-O 2.96Å; W850-D1111 VanDerWaalsContact NE1-O 3.14Å
851Y95.1Very high90.8Very high3 Ų336.5 Ų36.51%0.01220%0.196CC..Hα-helixtrans-62.5-44.1-179.4-174.3-100.8000111.5F847 S848 D849 L854 I855 P983 L985 G1103 I1106 M1107F847-Y851 VanDerWaalsContact O-CB 3.28Å; F847-Y851 WeakPolarHBondContact O-CB 3.12Å; F847-Y851 PolarHBondContact O-N 2.98Å; S848-Y851 PolarHBondContact O-N 3.4Å; D849-Y851 PolarHBondContact O-N 2.87Å; Y851-L854 PolarHBondContact O-N 2.84Å; Y851-I855 HydrophobicContact CD1-CD1 4.36Å; Y851-I855 HydrophobicContact CE1-CD1 4.15Å; Y851-I855 HydrophobicContact CE1-CG2 4.17Å; Y851-I855 HydrophobicContact CE2-CG2 4.3Å; Y851-I855 WeakPolarHBondContact O-CG1 3.39Å; Y851-I855 WeakPolarHBondContact O-CG2 3.39Å; Y851-I855 PolarHBondContact O-N 3.16Å; Y851-I855 VanDerWaalsContact O-N 3.12Å; Y851-P983 PolarHBondContact OH-O 3.36Å; Y851-L985 HydrophobicContact CE1-CD1 4.34Å; Y851-L985 HydrophobicContact CE1-CG 4.44Å; Y851-G1103 WeakPolarHBondContact OH-CA 3.02Å; Y851-I1106 HydrophobicContact CD2-CG2 4.12Å; Y851-I1106 HydrophobicContact CE2-CB 4.16Å; Y851-I1106 HydrophobicContact CE2-CG2 3.7Å; Y851-M1107 HydrophobicContact CD2-CG 3.69Å; Y851-M1107 HydrophobicContact CD2-SD 4.5Å; Y851-M1107 HydrophobicContact CE2-CG 3.52Å; Y851-M1107 HydrophobicContact CE2-SD 4.32Å
852S91.5Very high91.1Very high28 Ų2838.9 Ų38.920%0.19621%0.208CC..Hα-helixtrans-65.3-43.3179.6-62.50000112.6S848 D849 W850 I855 I856S848-S852 WeakPolarHBondContact O-CB 3.24Å; S848-S852 PolarHBondContact O-N 3.08Å; S848-S852 PolarHBondContact O-OG 3.42Å; D849-S852 PolarHBondContact O-N 3.33Å; W850-S852 PolarHBondContact O-N 3.47Å; S852-I855 WeakPolarHBondContact O-CG1 3.2Å; S852-I856 WeakPolarHBondContact O-CG1 3.49Å; S852-I856 PolarHBondContact O-N 2.92Å
853E93Very high91.2Very high44 Ų4443.3 Ų43.321%0.20622%0.22CC..Hα-helixtrans-64.3-45174.8-76-163.1177.200111.5I839 E840 D849 W850 I856 K857I839-E853 WeakPolarHBondContact CA-OE2 2.95Å; I839-E853 HydrophobicContact CG2-CB 4.24Å; E840-E853 PolarHBondContact N-OE2 2.82Å; D849-E853 WeakPolarHBondContact O-CB 3.46Å; D849-E853 WeakPolarHBondContact O-CG 3.43Å; D849-E853 PolarHBondContact O-N 3.18Å; W850-E853 PolarHBondContact O-N 3.18Å; E853-I856 PolarHBondContact O-N 2.87Å; E853-K857 HydrophobicContact CB-CD 4.29Å; E853-K857 VanDerWaalsContact CD-NZ 3.32Å; E853-K857 WeakPolarHBondContact O-CB 3.35Å; E853-K857 VanDerWaalsContact O-CG 3.31Å; E853-K857 WeakPolarHBondContact O-CG 3.29Å; E853-K857 PolarHBondContact O-N 2.87Å; E853-K857 IonicContact OE1-NZ 3.08Å; E853-K857 IonicContact OE2-NZ 3.22Å; E853-K857 PolarHBondContact OE2-NZ 2.96Å
854L95.8Very high91.3Very high0 Ų047.7 Ų47.70%024%0.237CC..Hα-helixtrans-57.7-52.9-177.7176.967.4000111.4I839 W850 Y851 I856 S858 I1106 L1115I839-L854 HydrophobicContact CD1-CB 3.99Å; I839-L854 HydrophobicContact CD1-CD1 3.43Å; I839-L854 VanDerWaalsContact CD1-CD1 3.43Å; I839-L854 HydrophobicContact CD1-CG 4.3Å; W850-L854 HydrophobicContact CH2-CD2 3.79Å; W850-L854 HydrophobicContact CZ2-CD2 3.52Å; W850-L854 HydrophobicContact CZ3-CD2 4.47Å; W850-L854 WeakPolarHBondContact O-CB 3.48Å; W850-L854 PolarHBondContact O-N 3.09Å; Y851-L854 PolarHBondContact O-N 2.84Å; L854-I856 VanDerWaalsContact C-N 3.29Å; L854-I856 PolarHBondContact O-N 2.97Å; L854-S858 WeakPolarHBondContact O-CB 3.15Å; L854-S858 PolarHBondContact O-N 2.98Å; L854-S858 PolarHBondContact O-OG 3.37Å; L854-I1106 HydrophobicContact CD2-CG2 3.37Å; L854-I1106 HydrophobicContact CG-CG2 4.28Å; L854-L1115 HydrophobicContact CD1-CD2 3.96Å; L854-L1115 HydrophobicContact CD1-CG 4.13Å; L854-L1115 HydrophobicContact CD2-CD2 4.15Å; L854-L1115 HydrophobicContact CG-CD2 3.98Å
855I96.5Very high91.3Very high0 Ų046.5 Ų46.50%024%0.235CC..Hα-helixtrans-65.6-29.7-176.463.4-177000113.3Y851 S852 L860 L861 P983 F984 I1106Y851-I855 HydrophobicContact CD1-CD1 4.36Å; Y851-I855 HydrophobicContact CE1-CD1 4.15Å; Y851-I855 HydrophobicContact CE1-CG2 4.17Å; Y851-I855 HydrophobicContact CE2-CG2 4.3Å; Y851-I855 WeakPolarHBondContact O-CG1 3.39Å; Y851-I855 WeakPolarHBondContact O-CG2 3.39Å; Y851-I855 PolarHBondContact O-N 3.16Å; Y851-I855 VanDerWaalsContact O-N 3.12Å; S852-I855 WeakPolarHBondContact O-CG1 3.2Å; I855-L860 HydrophobicContact CG2-CD1 4.25Å; I855-L860 WeakPolarHBondContact O-CB 3.25Å; I855-L860 PolarHBondContact O-N 3Å; I855-L861 HydrophobicContact CD1-CD1 4.34Å; I855-L861 HydrophobicContact CD1-CD2 4.24Å; I855-L861 HydrophobicContact CD1-CG 4.43Å; I855-P983 HydrophobicContact CD1-CB 3.67Å; I855-P983 HydrophobicContact CD1-CG 3.63Å; I855-F984 HydrophobicContact CG2-CD2 4.42Å; I855-F984 HydrophobicContact CG2-CE2 4.3Å; I855-I1106 HydrophobicContact CG2-CD1 4.24Å
856I94.1Very high91.8Very high57 Ų5744.3 Ų44.329%0.29222%0.218SC..Hα-helixtrans-83.2-50.2178.2-62.4-56.2000111S852 E853 L854 S858 E859 L861 Y863S852-I856 WeakPolarHBondContact O-CG1 3.49Å; S852-I856 PolarHBondContact O-N 2.92Å; E853-I856 PolarHBondContact O-N 2.87Å; L854-I856 VanDerWaalsContact C-N 3.29Å; L854-I856 PolarHBondContact O-N 2.97Å; I856-S858 VanDerWaalsContact C-N 3.32Å; I856-S858 PolarHBondContact O-N 3Å; I856-E859 WeakPolarHBondContact O-CA 3.48Å; I856-E859 PolarHBondContact O-N 3.44Å; I856-L861 HydrophobicContact CD1-CD1 3.7Å; I856-L861 VanDerWaalsContact CD1-O 3.26Å; I856-L861 WeakPolarHBondContact CD1-O 3.27Å; I856-Y863 HydrophobicContact CD1-CD2 3.8Å; I856-Y863 HydrophobicContact CD1-CE2 3.68Å; I856-Y863 HydrophobicContact CG1-CD2 4.49Å; I856-Y863 HydrophobicContact CG1-CE2 4.01Å
857K94.3Very high92Very high47 Ų4744.4 Ų44.420%0.20422%0.224CC..Hα-helixtrans-67.4-32.6-176.6-68.6180177.6171.60111.8A838 E853 E859 L1184A838-K857 PolarHBondContact O-NZ 3.14Å; E853-K857 HydrophobicContact CB-CD 4.29Å; E853-K857 VanDerWaalsContact CD-NZ 3.32Å; E853-K857 WeakPolarHBondContact O-CB 3.35Å; E853-K857 VanDerWaalsContact O-CG 3.31Å; E853-K857 WeakPolarHBondContact O-CG 3.29Å; E853-K857 PolarHBondContact O-N 2.87Å; E853-K857 IonicContact OE1-NZ 3.08Å; E853-K857 IonicContact OE2-NZ 3.22Å; E853-K857 PolarHBondContact OE2-NZ 2.96Å; K857-E859 PolarHBondContact O-N 2.91Å; K857-L1184 HydrophobicContact CB-CD1 4.2Å; K857-L1184 HydrophobicContact CB-CD2 4.09Å; K857-L1184 WeakPolarHBondContact O-CD2 3.5Å
858S95.8Very high92.2Very high0 Ų044 Ų440%022%0.223CC..THydrogen-bonded Turntrans-79-2.3170.666.10000113.9L854 I856 L860 L1115 K1185L854-S858 WeakPolarHBondContact O-CB 3.15Å; L854-S858 PolarHBondContact O-N 2.98Å; L854-S858 PolarHBondContact O-OG 3.37Å; I856-S858 VanDerWaalsContact C-N 3.32Å; I856-S858 PolarHBondContact O-N 3Å; S858-L860 WeakPolarHBondContact OG-CG 3.22Å; S858-L1115 VanDerWaalsContact CB-CD1 3.44Å; S858-L1115 WeakPolarHBondContact OG-CD1 3.12Å; S858-K1185 WeakPolarHBondContact O-CD 3.03Å; S858-K1185 VanDerWaalsContact O-CE 3.27Å; S858-K1185 WeakPolarHBondContact O-CE 3.45Å; S858-K1185 PolarHBondContact O-NZ 2.7Å
859E95.3Very high92.5Very high60 Ų6042.5 Ų42.528%0.2821%0.212SC..THydrogen-bonded Turntrans57.546.3178.8-43.6-179.3121.100113I856 K857 R873 K1185I856-E859 WeakPolarHBondContact O-CA 3.48Å; I856-E859 PolarHBondContact O-N 3.44Å; K857-E859 PolarHBondContact O-N 2.91Å; E859-R873 VanDerWaalsContact CB-CZ 3.46Å; E859-R873 VanDerWaalsContact CB-NH1 3.34Å; E859-R873 WeakPolarHBondContact O-CB 3.42Å; E859-R873 IonicContact OE1-CZ 2.82Å; E859-R873 IonicContact OE1-NH1 2.75Å; E859-R873 PolarHBondContact OE1-NH1 3.09Å; E859-R873 IonicContact OE1-NH2 2.76Å; E859-R873 PolarHBondContact OE1-NH2 2.98Å; E859-R873 IonicContact OE2-NH2 3.92Å; E859-K1185 VanDerWaalsContact CB-NZ 3.34Å; E859-K1185 WeakPolarHBondContact OE2-CE 3.34Å; E859-K1185 IonicContact OE2-NZ 3.86Å; E859-K1185 PolarHBondContact OE2-NZ 3.46Å
860L97.8Very high93Very high1 Ų141.1 Ų41.11%0.00520%0.202CC..SBendtrans-80-36.9172-70.1177.3000111.5I855 S858 R873 W875 A876 M879 F984 I1106 L1115I855-L860 HydrophobicContact CG2-CD1 4.25Å; I855-L860 WeakPolarHBondContact O-CB 3.25Å; I855-L860 PolarHBondContact O-N 3Å; S858-L860 WeakPolarHBondContact OG-CG 3.22Å; L860-R873 PolarHBondContact O-N 3.39Å; L860-W875 HydrophobicContact CD2-CB 4.29Å; L860-W875 HydrophobicContact CD2-CG 4.46Å; L860-A876 HydrophobicContact CB-CB 3.99Å; L860-A876 HydrophobicContact CD2-CB 3.82Å; L860-A876 HydrophobicContact CG-CB 4.5Å; L860-A876 WeakPolarHBondContact O-CB 3.49Å; L860-M879 HydrophobicContact CD2-SD 4.11Å; L860-F984 HydrophobicContact CB-CE2 4.25Å; L860-F984 HydrophobicContact CB-CZ 4.31Å; L860-F984 HydrophobicContact CD1-CE2 4.49Å; L860-I1106 HydrophobicContact CD1-CD1 3.44Å; L860-I1106 VanDerWaalsContact CD1-CD1 3.44Å; L860-I1106 HydrophobicContact CD1-CG1 4.07Å; L860-L1115 HydrophobicContact CD1-CD1 3.9Å; L860-L1115 HydrophobicContact CD1-CD2 3.82Å; L860-L1115 HydrophobicContact CD1-CG 4.44Å; L860-L1115 HydrophobicContact CD2-CD1 3.92Å; L860-L1115 HydrophobicContact CG-CD1 3.97Å
861L96.6Very high93.2Very high0 Ų045.2 Ų45.20%022%0.223CC..EExtended strand (participates in β ladder)trans-150.8166.4177.463.883.9000112.9I855 I856 Y870 I871 L872 P983 F984I855-L861 HydrophobicContact CD1-CD1 4.34Å; I855-L861 HydrophobicContact CD1-CD2 4.24Å; I855-L861 HydrophobicContact CD1-CG 4.43Å; I856-L861 HydrophobicContact CD1-CD1 3.7Å; I856-L861 VanDerWaalsContact CD1-O 3.26Å; I856-L861 WeakPolarHBondContact CD1-O 3.27Å; L861-Y870 HydrophobicContact CD1-CD1 3.97Å; L861-I871 CarbonylContact C-O 3.49Å; L861-I871 WeakPolarHBondContact CA-O 3.43Å; L861-I871 VanDerWaalsContact CB-O 3.23Å; L861-I871 WeakPolarHBondContact CB-O 3.01Å; L861-L872 HydrophobicContact CB-CD2 4.22Å; L861-P983 HydrophobicContact CD1-CB 4.43Å; L861-P983 HydrophobicContact CD2-CB 3.51Å; L861-P983 HydrophobicContact CD2-CG 4.49Å; L861-F984 HydrophobicContact CD2-CD2 3.95Å; L861-F984 HydrophobicContact CD2-CE1 4.5Å; L861-F984 HydrophobicContact CD2-CE2 3.42Å; L861-F984 VanDerWaalsContact CD2-CE2 3.42Å; L861-F984 HydrophobicContact CD2-CZ 3.74Å; L861-F984 HydrophobicContact CG-CE2 4.37Å
862D94.1Very high93.3Very high64 Ų6447.2 Ų47.234%0.34223%0.234SC..EExtended strand (participates in β ladder)trans-120.2149.2163.6-71.2-55.7000110.2I871 R873D862-I871 HydrophobicContact CB-CB 4.31Å; D862-I871 PolarHBondContact N-O 3.29Å; D862-I871 PolarHBondContact O-N 3.27Å; D862-R873 WeakPolarHBondContact OD2-CD 3.43Å; D862-R873 IonicContact OD2-NE 3.26Å
863Y90.4Very high93.6Very high123 Ų12349.4 Ų49.448%0.48224%0.238SC..EExtended strand (participates in β ladder)trans-69.9135.1171.7-74.1-93.1000110.1I856 Y870 P983I856-Y863 HydrophobicContact CD1-CD2 3.8Å; I856-Y863 HydrophobicContact CD1-CE2 3.68Å; I856-Y863 HydrophobicContact CG1-CD2 4.49Å; I856-Y863 HydrophobicContact CG1-CE2 4.01Å; Y863-Y870 HydrophobicContact CD1-CD1 4.13Å; Y863-Y870 AromaticContact CD1-CE1 3.57Å; Y863-Y870 HydrophobicContact CD1-CE1 3.57Å; Y863-Y870 HydrophobicContact CE1-CD1 4.44Å; Y863-Y870 AromaticContact CE1-CE1 3.6Å; Y863-Y870 HydrophobicContact CE1-CE1 3.6Å; Y863-Y870 HydrophobicContact CG-CE1 4.4Å; Y863-P983 HydrophobicContact CE1-CG 4.36Å
864Y90.6Very high93.9Very high120 Ų12052.3 Ų52.347%0.47126%0.26SS..  trans-90.6170.2173.7-163.7-130.9000111.4I866 C869 I871Y864-I866 VanDerWaalsContact C-N 3.33Å; Y864-I866 HydrophobicContact CD1-CB 4.1Å; Y864-I866 HydrophobicContact CD1-CG1 4.36Å; Y864-I866 HydrophobicContact CE1-CB 4.5Å; Y864-I866 HydrophobicContact CE1-CD1 4.14Å; Y864-I866 HydrophobicContact CE1-CG1 4.27Å; Y864-C869 VanDerWaalsContact CB-O 3.27Å; Y864-C869 WeakPolarHBondContact CB-O 3.45Å; Y864-C869 HydrophobicContact CD1-CB 3.88Å; Y864-C869 PolarHBondContact N-O 3.17Å; Y864-I871 HydrophobicContact CD2-CD1 4.11Å; Y864-I871 HydrophobicContact CD2-CG1 4.2Å
865D85.3Confident93.9Very high128 Ų12853.6 Ų53.668%0.68427%0.265SS*.SBendtrans-67.4-34.3178.267.2-24.5000112
866I87.6Confident94Very high78 Ų7853.6 Ų53.640%0.427%0.265SS..SBendtrans-82.6115.1171-57170.5000109.1Y864 G868 C869 W976Y864-I866 VanDerWaalsContact C-N 3.33Å; Y864-I866 HydrophobicContact CD1-CB 4.1Å; Y864-I866 HydrophobicContact CD1-CG1 4.36Å; Y864-I866 HydrophobicContact CE1-CB 4.5Å; Y864-I866 HydrophobicContact CE1-CD1 4.14Å; Y864-I866 HydrophobicContact CE1-CG1 4.27Å; I866-G868 PolarHBondContact O-N 3.48Å; I866-C869 HydrophobicContact CB-CB 4.27Å; I866-C869 WeakPolarHBondContact O-CB 3.41Å; I866-C869 PolarHBondContact O-N 2.83Å; I866-W976 HydrophobicContact CG2-CH2 4.12Å
867S87.7Confident94.2Very high63 Ų6355.5 Ų55.544%0.44127%0.269SS..THydrogen-bonded Turntrans-51.7133.4175.4166.40000111.6C869 R988S867-C869 PolarHBondContact O-N 3.39Å; S867-R988 VanDerWaalsContact C-NH1 3.35Å; S867-R988 VanDerWaalsContact CB-NH1 3.31Å; S867-R988 WeakPolarHBondContact O-CD 3.36Å; S867-R988 PolarHBondContact O-NH1 2.73Å; S867-R988 PolarHBondContact OG-NH1 3.3Å
868G88.8Confident94.4Very high2 Ų256.2 Ų56.22%0.02127%0.274CS..THydrogen-bonded Turntrans79.41.4179.600000115.2I866 Y870 P981 T987 R988 E989I866-G868 PolarHBondContact O-N 3.48Å; G868-Y870 VanDerWaalsContact C-CE2 3.49Å; G868-Y870 WeakPolarHBondContact O-CE2 3.46Å; G868-P981 VanDerWaalsContact CA-CG 3.41Å; G868-T987 WeakPolarHBondContact O-CB 3.42Å; G868-R988 PolarHBondContact O-N 2.76Å; G868-E989 PolarHBondContact O-N 3.35Å
869C93.9Very high94.6Very high11 Ų1156.3 Ų56.37%0.07427%0.274CS..  trans-103.8145162.4-63.90000108.6Y864 I866 S867Y864-C869 VanDerWaalsContact CB-O 3.27Å; Y864-C869 WeakPolarHBondContact CB-O 3.45Å; Y864-C869 HydrophobicContact CD1-CB 3.88Å; Y864-C869 PolarHBondContact N-O 3.17Å; I866-C869 HydrophobicContact CB-CB 4.27Å; I866-C869 WeakPolarHBondContact O-CB 3.41Å; I866-C869 PolarHBondContact O-N 2.83Å; S867-C869 PolarHBondContact O-N 3.39Å
870Y95.1Very high94.7Very high35 Ų3553.6 Ų53.614%0.13726%0.261CS..EExtended strand (participates in β ladder)trans-142.1143.6-172.2-56.5-80000110.9L861 Y863 G868 L872 P981 P983 T987L861-Y870 HydrophobicContact CD1-CD1 3.97Å; Y863-Y870 HydrophobicContact CD1-CD1 4.13Å; Y863-Y870 AromaticContact CD1-CE1 3.57Å; Y863-Y870 HydrophobicContact CD1-CE1 3.57Å; Y863-Y870 HydrophobicContact CE1-CD1 4.44Å; Y863-Y870 AromaticContact CE1-CE1 3.6Å; Y863-Y870 HydrophobicContact CE1-CE1 3.6Å; Y863-Y870 HydrophobicContact CG-CE1 4.4Å; G868-Y870 VanDerWaalsContact C-CE2 3.49Å; G868-Y870 WeakPolarHBondContact O-CE2 3.46Å; Y870-L872 PolarHBondContact O-N 2.99Å; Y870-P981 WeakPolarHBondContact OH-CB 3.43Å; Y870-P981 PolarHBondContact OH-O 2.93Å; Y870-P983 HydrophobicContact CD1-CB 4.32Å; Y870-P983 HydrophobicContact CD1-CG 4.25Å; Y870-P983 HydrophobicContact CE1-CB 4.04Å; Y870-P983 HydrophobicContact CE1-CG 3.58Å; Y870-P983 HydrophobicContact CE2-CB 4.34Å; Y870-P983 HydrophobicContact CE2-CG 4.47Å; Y870-T987 HydrophobicContact CD2-CG2 3.73Å; Y870-T987 HydrophobicContact CE2-CG2 3.31Å
871I97.3Very high94.8Very high86 Ų8657.7 Ų57.744%0.44128%0.28SS..EExtended strand (participates in β ladder)trans-86.8109.8171.9-60.3169.3000107.1L861 D862 Y864 R873L861-I871 CarbonylContact C-O 3.49Å; L861-I871 WeakPolarHBondContact CA-O 3.43Å; L861-I871 VanDerWaalsContact CB-O 3.23Å; L861-I871 WeakPolarHBondContact CB-O 3.01Å; D862-I871 HydrophobicContact CB-CB 4.31Å; D862-I871 PolarHBondContact N-O 3.29Å; D862-I871 PolarHBondContact O-N 3.27Å; Y864-I871 HydrophobicContact CD2-CD1 4.11Å; Y864-I871 HydrophobicContact CD2-CG1 4.2Å; I871-R873 PolarHBondContact O-N 3.16Å
872L97.7Very high94.8Very high45 Ų4558.7 Ų58.724%0.23629%0.287CS..EExtended strand (participates in β ladder)trans-75116.5171.8-63-176.2000109.5L861 Y870 Y877 F984 L991 T1099L861-L872 HydrophobicContact CB-CD2 4.22Å; Y870-L872 PolarHBondContact O-N 2.99Å; L872-Y877 HydrophobicContact CD1-CD2 4.47Å; L872-F984 HydrophobicContact CD2-CD1 4.36Å; L872-F984 HydrophobicContact CD2-CE1 3.35Å; L872-F984 HydrophobicContact CD2-CZ 3.66Å; L872-L991 HydrophobicContact CD1-CD1 3.8Å; L872-L991 HydrophobicContact CD1-CG 4.34Å; L872-T1099 HydrophobicContact CD1-CG2 4.36Å
873R98.3Very high95.1Very high73 Ų7355.7 Ų55.728%0.27527%0.271SS..  trans-75.8162.2178.5-68.8-172.573.5176.6-11.2110.4E859 L860 D862 I871 W875 A876 Y877E859-R873 VanDerWaalsContact CB-CZ 3.46Å; E859-R873 VanDerWaalsContact CB-NH1 3.34Å; E859-R873 WeakPolarHBondContact O-CB 3.42Å; E859-R873 IonicContact OE1-CZ 2.82Å; E859-R873 IonicContact OE1-NH1 2.75Å; E859-R873 PolarHBondContact OE1-NH1 3.09Å; E859-R873 IonicContact OE1-NH2 2.76Å; E859-R873 PolarHBondContact OE1-NH2 2.98Å; E859-R873 IonicContact OE2-NH2 3.92Å; L860-R873 PolarHBondContact O-N 3.39Å; D862-R873 WeakPolarHBondContact OD2-CD 3.43Å; D862-R873 IonicContact OD2-NE 3.26Å; I871-R873 PolarHBondContact O-N 3.16Å; R873-W875 PolarHBondContact O-N 3.39Å; R873-A876 PolarHBondContact O-N 3.04Å; R873-A876 VanDerWaalsContact O-N 3.09Å; R873-Y877 PolarHBondContact O-N 3.37Å
874P98.1Very high95.5Very high105 Ų10551.5 Ų51.568%0.68226%0.256SS*.Hα-helixtrans-52.6-32-173.1-30.736.5000115H878P874-H878 VanDerWaalsContact O-CB 3.22Å; P874-H878 WeakPolarHBondContact O-CB 3.47Å; P874-H878 PolarHBondContact O-N 3.43Å
875W97.7Very high95.8Very high27 Ų2749.8 Ų49.810%0.10226%0.261CS..Hα-helixtrans-65.3-49.9179.5-151.4-105.7000112.2L860 R873 M879 P1123 Y1124 W1182 K1185 V1187L860-W875 HydrophobicContact CD2-CB 4.29Å; L860-W875 HydrophobicContact CD2-CG 4.46Å; R873-W875 PolarHBondContact O-N 3.39Å; W875-M879 WeakPolarHBondContact O-CG 3.3Å; W875-M879 PolarHBondContact O-N 3.33Å; W875-P1123 HydrophobicContact CD2-CB 4.13Å; W875-P1123 HydrophobicContact CD2-CG 3.73Å; W875-P1123 HydrophobicContact CE3-CB 3.95Å; W875-P1123 HydrophobicContact CE3-CG 4.06Å; W875-P1123 HydrophobicContact CG-CG 4.13Å; W875-P1123 HydrophobicContact CH2-CB 3.93Å; W875-P1123 HydrophobicContact CH2-CG 4.38Å; W875-P1123 HydrophobicContact CZ2-CB 4.12Å; W875-P1123 HydrophobicContact CZ2-CG 4.09Å; W875-P1123 HydrophobicContact CZ3-CB 3.85Å; W875-P1123 HydrophobicContact CZ3-CG 4.37Å; W875-Y1124 AromaticContact CH2-CD2 3.6Å; W875-Y1124 HydrophobicContact CH2-CD2 3.6Å; W875-Y1124 HydrophobicContact CH2-CE2 4.28Å; W875-Y1124 HydrophobicContact CH2-CG 4.28Å; W875-Y1124 AromaticContact CZ3-CD2 3.77Å; W875-Y1124 HydrophobicContact CZ3-CD2 3.77Å; W875-Y1124 AromaticContact CZ3-CE2 3.97Å; W875-Y1124 HydrophobicContact CZ3-CE2 3.97Å; W875-W1182 AromaticContact CH2-CZ3 3.89Å; W875-W1182 HydrophobicContact CH2-CZ3 3.89Å; W875-W1182 HydrophobicContact CZ3-CZ3 4.28Å; W875-K1185 HydrophobicContact CD2-CD 4.16Å; W875-K1185 HydrophobicContact CG-CD 4.33Å; W875-K1185 HydrophobicContact CZ2-CB 4.19Å; W875-K1185 PolarHBondContact NE1-O 2.86Å; W875-K1185 VanDerWaalsContact NE1-O 3.13Å; W875-V1187 HydrophobicContact CH2-CG2 4.23Å; W875-V1187 HydrophobicContact CZ2-CG2 3.99Å
876A98.5Very high96.4Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-68.1-39.9176.400000111.9L860 R873 H878 M879 W880 F984 L1102L860-A876 HydrophobicContact CB-CB 3.99Å; L860-A876 HydrophobicContact CD2-CB 3.82Å; L860-A876 HydrophobicContact CG-CB 4.5Å; L860-A876 WeakPolarHBondContact O-CB 3.49Å; R873-A876 PolarHBondContact O-N 3.04Å; R873-A876 VanDerWaalsContact O-N 3.09Å; A876-H878 VanDerWaalsContact C-N 3.34Å; A876-H878 PolarHBondContact O-N 2.86Å; A876-M879 WeakPolarHBondContact O-CB 3.38Å; A876-M879 PolarHBondContact O-N 3.41Å; A876-W880 PolarHBondContact O-N 2.82Å; A876-F984 HydrophobicContact CB-CE1 4.47Å; A876-F984 HydrophobicContact CB-CZ 3.96Å; A876-L1102 HydrophobicContact CB-CD1 4.5Å
877Y98.5Very high97Very high97 Ų9741.1 Ų41.138%0.3821%0.214SC..Hα-helixtrans-67.3-36.4-179.8-161.7-102.5000112L872 R873 M879 W880 Q881 L991L872-Y877 HydrophobicContact CD1-CD2 4.47Å; R873-Y877 PolarHBondContact O-N 3.37Å; Y877-M879 VanDerWaalsContact C-N 3.34Å; Y877-M879 PolarHBondContact O-N 3.12Å; Y877-W880 WeakPolarHBondContact O-CB 3.41Å; Y877-W880 PolarHBondContact O-N 3.14Å; Y877-Q881 HydrophobicContact CD1-CG 4.03Å; Y877-Q881 HydrophobicContact CE1-CG 3.91Å; Y877-Q881 WeakPolarHBondContact O-CG 3.34Å; Y877-Q881 PolarHBondContact O-N 3.47Å; Y877-L991 HydrophobicContact CD2-CD1 4.16Å; Y877-L991 HydrophobicContact CE2-CD1 3.7Å
878H98.4Very high97.5Very high63 Ų6340.4 Ų40.429%0.29221%0.205SC..Hα-helixtrans-62.1-42.1172.2-174.499.7000111.8P874 A876 W880 Q881 S882 P1123P874-H878 VanDerWaalsContact O-CB 3.22Å; P874-H878 WeakPolarHBondContact O-CB 3.47Å; P874-H878 PolarHBondContact O-N 3.43Å; A876-H878 VanDerWaalsContact C-N 3.34Å; A876-H878 PolarHBondContact O-N 2.86Å; H878-W880 VanDerWaalsContact C-N 3.28Å; H878-W880 PolarHBondContact O-N 2.64Å; H878-Q881 PolarHBondContact O-N 3.03Å; H878-S882 PolarHBondContact O-N 3.47Å; H878-S882 PolarHBondContact O-OG 2.81Å; H878-P1123 HydrophobicContact CB-CB 4.23Å; H878-P1123 HydrophobicContact CB-CG 4.04Å; H878-P1123 VanDerWaalsContact CD2-CA 3.41Å; H878-P1123 WeakPolarHBondContact CD2-CA 3.28Å
879M98.6Very high97.9Very high1 Ų146.6 Ų46.61%0.00523%0.234CC..Hα-helixtrans-62.1-38.1175.2-65.2164.557.800111.7L860 W875 A876 Y877 S882 I883 L1102 L1105 L1117 V1121 P1123L860-M879 HydrophobicContact CD2-SD 4.11Å; W875-M879 WeakPolarHBondContact O-CG 3.3Å; W875-M879 PolarHBondContact O-N 3.33Å; A876-M879 WeakPolarHBondContact O-CB 3.38Å; A876-M879 PolarHBondContact O-N 3.41Å; Y877-M879 VanDerWaalsContact C-N 3.34Å; Y877-M879 PolarHBondContact O-N 3.12Å; M879-S882 PolarHBondContact O-N 3.26Å; M879-I883 PolarHBondContact O-N 2.88Å; M879-L1102 HydrophobicContact CB-CD2 3.87Å; M879-L1102 HydrophobicContact CE-CD2 4.24Å; M879-L1105 HydrophobicContact CE-CD2 3.23Å; M879-L1117 HydrophobicContact CE-CD2 3.65Å; M879-L1117 HydrophobicContact SD-CD1 4.11Å; M879-L1117 HydrophobicContact SD-CD2 4.1Å; M879-V1121 HydrophobicContact CB-CG2 4.06Å; M879-V1121 HydrophobicContact CG-CG2 4.32Å; M879-P1123 HydrophobicContact CG-CG 4.09Å
880W98.5Very high98.1Very high4 Ų449.5 Ų49.52%0.01525%0.245CC..Hα-helixtrans-63.2-45.5172.1-175.9-115.1000111.9A876 Y877 H878 S882 I883 Q884 W970 L991 T1098 T1099 L1102A876-W880 PolarHBondContact O-N 2.82Å; Y877-W880 WeakPolarHBondContact O-CB 3.41Å; Y877-W880 PolarHBondContact O-N 3.14Å; H878-W880 VanDerWaalsContact C-N 3.28Å; H878-W880 PolarHBondContact O-N 2.64Å; W880-S882 VanDerWaalsContact C-N 3.3Å; W880-S882 PolarHBondContact O-N 3.35Å; W880-I883 HydrophobicContact CE3-CD1 4.16Å; W880-I883 HydrophobicContact CZ3-CD1 4.5Å; W880-I883 WeakPolarHBondContact O-CA 3.4Å; W880-I883 WeakPolarHBondContact O-CB 3.15Å; W880-I883 PolarHBondContact O-N 3.48Å; W880-Q884 WeakPolarHBondContact O-CG 3.32Å; W880-Q884 PolarHBondContact O-N 2.99Å; W880-W970 AromaticContact CE2-CZ3 3.95Å; W880-W970 AromaticContact CH2-CZ3 3.79Å; W880-W970 HydrophobicContact CH2-CZ3 3.79Å; W880-W970 AromaticContact CZ2-CE3 3.76Å; W880-W970 HydrophobicContact CZ2-CE3 3.76Å; W880-W970 AromaticContact CZ2-CZ3 3.41Å; W880-W970 HydrophobicContact CZ2-CZ3 3.41Å; W880-W970 VanDerWaalsContact CZ2-CZ3 3.41Å; W880-L991 HydrophobicContact CG-CD1 4.3Å; W880-L991 HydrophobicContact CZ2-CB 3.93Å; W880-T1098 WeakPolarHBondContact CZ3-O 3.3Å; W880-T1099 HydrophobicContact CD2-CG2 3.89Å; W880-T1099 HydrophobicContact CE3-CG2 3.87Å; W880-T1099 HydrophobicContact CG-CG2 4.46Å; W880-T1099 HydrophobicContact CH2-CG2 4.3Å; W880-T1099 HydrophobicContact CZ2-CG2 4.29Å; W880-T1099 HydrophobicContact CZ3-CG2 4.1Å; W880-L1102 HydrophobicContact CB-CD1 4.3Å
881Q98.5Very high98.3Very high86 Ų8647.9 Ų47.940%0.40224%0.239SC..Hα-helixtrans-61.7-36176.4-71.4177.9-58.800112.6Y877 H878 I883 Q884 C885Y877-Q881 HydrophobicContact CD1-CG 4.03Å; Y877-Q881 HydrophobicContact CE1-CG 3.91Å; Y877-Q881 WeakPolarHBondContact O-CG 3.34Å; Y877-Q881 PolarHBondContact O-N 3.47Å; H878-Q881 PolarHBondContact O-N 3.03Å; Q881-I883 VanDerWaalsContact C-N 3.28Å; Q881-I883 PolarHBondContact O-N 2.96Å; Q881-Q884 WeakPolarHBondContact O-CB 3.37Å; Q881-Q884 PolarHBondContact O-N 3.18Å; Q881-Q884 VanDerWaalsContact O-N 3.16Å; Q881-C885 PolarHBondContact O-N 2.62Å; Q881-C885 PolarHBondContact O-SG 3.4Å
882S98.4Very high98.2Very high22 Ų2251.9 Ų51.915%0.15425%0.253CS..Hα-helixtrans-60-39.4172.6-65.20000112.1H878 M879 W880 F886H878-S882 PolarHBondContact O-N 3.47Å; H878-S882 PolarHBondContact O-OG 2.81Å; M879-S882 PolarHBondContact O-N 3.26Å; W880-S882 VanDerWaalsContact C-N 3.3Å; W880-S882 PolarHBondContact O-N 3.35Å; S882-F886 WeakPolarHBondContact O-CB 3.21Å; S882-F886 PolarHBondContact O-N 2.77Å; S882-F886 VanDerWaalsContact O-N 3.14Å
883I98.6Very high98.2Very high0 Ų055.8 Ų55.80%028%0.278CS..Hα-helixtrans-67.2-42.7173.9-64.4164.9000110.3M879 W880 Q881 F886 M887 V1019 L1023 L1024 L1097 T1101 L1102M879-I883 PolarHBondContact O-N 2.88Å; W880-I883 HydrophobicContact CE3-CD1 4.16Å; W880-I883 HydrophobicContact CZ3-CD1 4.5Å; W880-I883 WeakPolarHBondContact O-CA 3.4Å; W880-I883 WeakPolarHBondContact O-CB 3.15Å; W880-I883 PolarHBondContact O-N 3.48Å; Q881-I883 VanDerWaalsContact C-N 3.28Å; Q881-I883 PolarHBondContact O-N 2.96Å; I883-F886 PolarHBondContact O-N 2.67Å; I883-M887 HydrophobicContact CG2-CG 4.35Å; I883-M887 WeakPolarHBondContact O-CB 2.84Å; I883-M887 WeakPolarHBondContact O-CG 3.05Å; I883-M887 PolarHBondContact O-N 3.44Å; I883-V1019 HydrophobicContact CG2-CG1 4.13Å; I883-L1023 HydrophobicContact CB-CD2 4.46Å; I883-L1023 HydrophobicContact CG1-CD2 3.92Å; I883-L1024 HydrophobicContact CD1-CD1 4.49Å; I883-L1097 HydrophobicContact CG2-CD2 3.69Å; I883-T1101 HydrophobicContact CD1-CG2 3.78Å; I883-L1102 HydrophobicContact CD1-CD2 3.7Å
884Q98.5Very high98.1Very high35 Ų3554.2 Ų54.216%0.16428%0.275CS..Hα-helixtrans-57.9-52.4176.9-66.5-178.1-7800111.7W880 Q881 F886 M887 D888 W970W880-Q884 WeakPolarHBondContact O-CG 3.32Å; W880-Q884 PolarHBondContact O-N 2.99Å; Q881-Q884 WeakPolarHBondContact O-CB 3.37Å; Q881-Q884 PolarHBondContact O-N 3.18Å; Q881-Q884 VanDerWaalsContact O-N 3.16Å; Q884-F886 VanDerWaalsContact C-N 3.33Å; Q884-F886 PolarHBondContact O-N 3.28Å; Q884-M887 PolarHBondContact O-N 2.92Å; Q884-D888 WeakPolarHBondContact O-CB 3.38Å; Q884-D888 PolarHBondContact O-N 2.88Å; Q884-W970 HydrophobicContact CB-CH2 4.14Å; Q884-W970 HydrophobicContact CB-CZ2 4.06Å; Q884-W970 HydrophobicContact CB-CZ3 4.41Å; Q884-W970 HydrophobicContact CG-CD2 3.92Å; Q884-W970 HydrophobicContact CG-CE3 3.62Å; Q884-W970 HydrophobicContact CG-CH2 3.66Å; Q884-W970 HydrophobicContact CG-CZ2 3.94Å; Q884-W970 HydrophobicContact CG-CZ3 3.46Å; Q884-W970 VanDerWaalsContact CG-CZ3 3.46Å
885C98.3Very high98Very high85 Ų8551.8 Ų51.857%0.57427%0.268SS*.Hα-helixtrans-59.1-44.1179.5-67.80000112Q881 E889Q881-C885 PolarHBondContact O-N 2.62Å; Q881-C885 PolarHBondContact O-SG 3.4Å; C885-E889 WeakPolarHBondContact O-CB 3.35Å; C885-E889 PolarHBondContact O-N 2.89Å
886F98.5Very high98Very high23 Ų2350.8 Ų50.810%0.10127%0.265CS..Hα-helixtrans-62.1-45.6178.5180-92000112.1S882 I883 Q884 K890 L1015 E1018 V1019 Y1022 L1023S882-F886 WeakPolarHBondContact O-CB 3.21Å; S882-F886 PolarHBondContact O-N 2.77Å; S882-F886 VanDerWaalsContact O-N 3.14Å; I883-F886 PolarHBondContact O-N 2.67Å; Q884-F886 VanDerWaalsContact C-N 3.33Å; Q884-F886 PolarHBondContact O-N 3.28Å; F886-K890 WeakPolarHBondContact O-CG 3.5Å; F886-K890 PolarHBondContact O-N 2.77Å; F886-L1015 HydrophobicContact CE1-CD1 4.19Å; F886-E1018 HydrophobicContact CE1-CB 4.2Å; F886-E1018 HydrophobicContact CZ-CB 4.07Å; F886-V1019 HydrophobicContact CD1-CG2 3.78Å; F886-V1019 HydrophobicContact CE1-CG2 3.85Å; F886-Y1022 AromaticContact CE2-CD1 3.59Å; F886-Y1022 HydrophobicContact CE2-CD1 3.59Å; F886-Y1022 AromaticContact CE2-CE1 3.89Å; F886-Y1022 HydrophobicContact CE2-CE1 3.89Å; F886-Y1022 HydrophobicContact CZ-CD1 4.01Å; F886-L1023 HydrophobicContact CB-CD2 3.9Å; F886-L1023 HydrophobicContact CD1-CD2 4.45Å; F886-L1023 HydrophobicContact CG-CD2 4.07Å
887M98.4Very high97.9Very high0 Ų057.8 Ų57.80%030%0.298CS..Hα-helixtrans-66.5-48.8177.9-76.6-71.4-62.600111.5I883 Q884 E889 K890 L891 W970 L1015 Y1016 V1019I883-M887 HydrophobicContact CG2-CG 4.35Å; I883-M887 WeakPolarHBondContact O-CB 2.84Å; I883-M887 WeakPolarHBondContact O-CG 3.05Å; I883-M887 PolarHBondContact O-N 3.44Å; Q884-M887 PolarHBondContact O-N 2.92Å; M887-E889 VanDerWaalsContact C-N 3.29Å; M887-E889 PolarHBondContact O-N 3.13Å; M887-K890 PolarHBondContact O-N 3.23Å; M887-K890 VanDerWaalsContact O-N 3.12Å; M887-L891 HydrophobicContact CE-CD1 4.17Å; M887-L891 HydrophobicContact CE-CG 4.44Å; M887-L891 WeakPolarHBondContact O-CB 3.27Å; M887-L891 VanDerWaalsContact O-CG 3.22Å; M887-L891 WeakPolarHBondContact O-CG 3.41Å; M887-L891 PolarHBondContact O-N 3.21Å; M887-W970 HydrophobicContact CB-CH2 4.24Å; M887-W970 HydrophobicContact CB-CZ2 3.83Å; M887-W970 HydrophobicContact CG-CH2 4.34Å; M887-W970 HydrophobicContact CG-CZ2 4.4Å; M887-L1015 HydrophobicContact CE-CD2 3.69Å; M887-L1015 HydrophobicContact CE-CG 4.1Å; M887-L1015 HydrophobicContact SD-CD1 3.99Å; M887-L1015 HydrophobicContact SD-CD2 3.8Å; M887-L1015 HydrophobicContact SD-CG 3.63Å; M887-Y1016 HydrophobicContact CE-CD1 4.08Å; M887-Y1016 HydrophobicContact CE-CE1 3.58Å; M887-Y1016 HydrophobicContact SD-CD1 4.25Å; M887-Y1016 HydrophobicContact SD-CE1 4.31Å; M887-V1019 HydrophobicContact CG-CG2 3.93Å; M887-V1019 HydrophobicContact SD-CG2 3.44Å; M887-V1019 WeakPolarHBondContact SD-CG2 3.42Å
888D98.5Very high97.9Very high48 Ų4857.2 Ų57.226%0.25730%0.302SS..Hα-helixtrans-60.1-39-178-79-12.8000111.8Q884 K890 K892 N898 W970Q884-D888 WeakPolarHBondContact O-CB 3.38Å; Q884-D888 PolarHBondContact O-N 2.88Å; D888-K890 PolarHBondContact O-N 2.86Å; D888-K892 WeakPolarHBondContact O-CB 3.5Å; D888-K892 PolarHBondContact O-N 3.34Å; D888-N898 VanDerWaalsContact CG-ND2 3.3Å; D888-N898 PolarHBondContact OD1-ND2 2.8Å; D888-N898 PolarHBondContact OD2-ND2 3.5Å; D888-W970 PolarHBondContact OD1-NE1 3.31Å
889E97.8Very high97.8Very high133 Ų13355.9 Ų55.962%0.62130%0.301SS*.Hα-helixtrans-58.6-48.3174.6-175.4-178170.900111.4C885 M887 V893C885-E889 WeakPolarHBondContact O-CB 3.35Å; C885-E889 PolarHBondContact O-N 2.89Å; M887-E889 VanDerWaalsContact C-N 3.29Å; M887-E889 PolarHBondContact O-N 3.13Å; E889-V893 WeakPolarHBondContact O-CG2 3.17Å; E889-V893 PolarHBondContact O-N 3.16Å
890K98.3Very high97.8Very high72 Ų7263.5 Ų63.531%0.31333%0.331SS..Hα-helixtrans-70-44.1-178.3-65.4-78.1179.71450111.9F886 M887 D888 K892 V893 M894 L1015 E1018F886-K890 WeakPolarHBondContact O-CG 3.5Å; F886-K890 PolarHBondContact O-N 2.77Å; M887-K890 PolarHBondContact O-N 3.23Å; M887-K890 VanDerWaalsContact O-N 3.12Å; D888-K890 PolarHBondContact O-N 2.86Å; K890-K892 VanDerWaalsContact C-N 3.31Å; K890-K892 PolarHBondContact O-N 3.48Å; K890-V893 PolarHBondContact O-N 2.86Å; K890-M894 VanDerWaalsContact O-CG 3.31Å; K890-M894 WeakPolarHBondContact O-CG 3.11Å; K890-M894 PolarHBondContact O-N 3.15Å; K890-M894 VanDerWaalsContact O-N 3.08Å; K890-L1015 HydrophobicContact CB-CD1 3.52Å; K890-L1015 HydrophobicContact CB-CD2 4.16Å; K890-L1015 HydrophobicContact CD-CD1 4.4Å; K890-L1015 HydrophobicContact CG-CD1 3.68Å; K890-E1018 IonicContact NZ-OE2 3.95Å; K890-E1018 PolarHBondContact NZ-OE2 2.88Å
891L98.2Very high97.7Very high1 Ų164 Ų641%0.00533%0.333CS..Hα-helixtrans-62-39.8177.4-70.1177.9000111.5M887 V893 M894 G895 I896 N968 I1012 L1015 W1095M887-L891 HydrophobicContact CE-CD1 4.17Å; M887-L891 HydrophobicContact CE-CG 4.44Å; M887-L891 WeakPolarHBondContact O-CB 3.27Å; M887-L891 VanDerWaalsContact O-CG 3.22Å; M887-L891 WeakPolarHBondContact O-CG 3.41Å; M887-L891 PolarHBondContact O-N 3.21Å; L891-V893 PolarHBondContact O-N 3.49Å; L891-M894 HydrophobicContact CD2-SD 4.4Å; L891-M894 CarbonylContact O-C 3.54Å; L891-M894 WeakPolarHBondContact O-CA 3.4Å; L891-M894 WeakPolarHBondContact O-CB 3.46Å; L891-M894 PolarHBondContact O-N 2.75Å; L891-M894 VanDerWaalsContact O-N 3.09Å; L891-G895 PolarHBondContact O-N 3.39Å; L891-I896 HydrophobicContact CB-CB 4.19Å; L891-I896 HydrophobicContact CD2-CB 4.4Å; L891-I896 HydrophobicContact CD2-CD1 3.56Å; L891-I896 PolarHBondContact O-N 2.85Å; L891-N968 HydrophobicContact CD1-CB 4.02Å; L891-I1012 HydrophobicContact CD2-CD1 4Å; L891-L1015 HydrophobicContact CD2-CD2 3.76Å; L891-L1015 HydrophobicContact CG-CD2 4.13Å; L891-W1095 HydrophobicContact CD1-CH2 4.06Å; L891-W1095 HydrophobicContact CD1-CZ3 4.18Å; L891-W1095 HydrophobicContact CD2-CH2 3.49Å; L891-W1095 VanDerWaalsContact CD2-CH2 3.49Å; L891-W1095 HydrophobicContact CD2-CZ2 4.34Å; L891-W1095 HydrophobicContact CD2-CZ3 3.92Å; L891-W1095 HydrophobicContact CG-CH2 4.44Å
892K96.9Very high97.5Very high169 Ų16963.6 Ų63.674%0.73534%0.338SS*.Hα-helixtrans-62.6-42.3174.8-177178.1-179.6179.10112.2D888 K890 M894 G895D888-K892 WeakPolarHBondContact O-CB 3.5Å; D888-K892 PolarHBondContact O-N 3.34Å; K890-K892 VanDerWaalsContact C-N 3.31Å; K890-K892 PolarHBondContact O-N 3.48Å; K892-M894 PolarHBondContact O-N 2.79Å; K892-G895 PolarHBondContact O-N 3.29Å
893V96.6Very high97.3Very high127 Ų12765.5 Ų65.577%0.7735%0.346SS*.Hα-helixtrans-61.4-32.5174.2171.70000111.3E889 K890 L891 G895E889-V893 WeakPolarHBondContact O-CG2 3.17Å; E889-V893 PolarHBondContact O-N 3.16Å; K890-V893 PolarHBondContact O-N 2.86Å; L891-V893 PolarHBondContact O-N 3.49Å; V893-G895 PolarHBondContact O-N 3.14Å
894M96.6Very high97.1Very high41 Ų4170.7 Ų70.720%0.20237%0.368CS..THydrogen-bonded Turntrans-77-6.1174.9-63.2168.863.500113.5K890 L891 K892 I896 R966 V1011 I1012 L1015K890-M894 VanDerWaalsContact O-CG 3.31Å; K890-M894 WeakPolarHBondContact O-CG 3.11Å; K890-M894 PolarHBondContact O-N 3.15Å; K890-M894 VanDerWaalsContact O-N 3.08Å; L891-M894 HydrophobicContact CD2-SD 4.4Å; L891-M894 CarbonylContact O-C 3.54Å; L891-M894 WeakPolarHBondContact O-CA 3.4Å; L891-M894 WeakPolarHBondContact O-CB 3.46Å; L891-M894 PolarHBondContact O-N 2.75Å; L891-M894 VanDerWaalsContact O-N 3.09Å; K892-M894 PolarHBondContact O-N 2.79Å; M894-I896 HydrophobicContact CB-CD1 4.09Å; M894-I896 HydrophobicContact CB-CG1 4.17Å; M894-I896 HydrophobicContact CE-CD1 3.83Å; M894-I896 HydrophobicContact SD-CD1 4.42Å; M894-R966 PolarHBondContact O-NH1 3.3Å; M894-V1011 HydrophobicContact CE-CB 4.19Å; M894-V1011 HydrophobicContact CE-CG1 3.4Å; M894-V1011 HydrophobicContact SD-CG1 4.01Å; M894-I1012 HydrophobicContact CE-CD1 3.68Å; M894-I1012 HydrophobicContact CE-CG1 4.35Å; M894-I1012 HydrophobicContact SD-CD1 4.47Å; M894-L1015 HydrophobicContact SD-CD2 4.38Å
895G95.4Very high96.8Very high53 Ų5369.4 Ų69.455%0.54636%0.363SS..THydrogen-bonded Turntrans74.724.3-17500000113.9L891 K892 V893L891-G895 PolarHBondContact O-N 3.39Å; K892-G895 PolarHBondContact O-N 3.29Å; V893-G895 PolarHBondContact O-N 3.14Å
896I98.5Very high96.4Very high6 Ų667.2 Ų67.23%0.03135%0.349CS..  trans-95.3129.2174.4-57.6169.7000108.3L891 M894 R966 N968 I1012 W1095L891-I896 HydrophobicContact CB-CB 4.19Å; L891-I896 HydrophobicContact CD2-CB 4.4Å; L891-I896 HydrophobicContact CD2-CD1 3.56Å; L891-I896 PolarHBondContact O-N 2.85Å; M894-I896 HydrophobicContact CB-CD1 4.09Å; M894-I896 HydrophobicContact CB-CG1 4.17Å; M894-I896 HydrophobicContact CE-CD1 3.83Å; M894-I896 HydrophobicContact SD-CD1 4.42Å; I896-R966 HydrophobicContact CG1-CB 3.99Å; I896-N968 HydrophobicContact CG2-CB 3.86Å; I896-I1012 HydrophobicContact CD1-CD1 4.14Å; I896-W1095 HydrophobicContact CD1-CH2 4.14Å; I896-W1095 HydrophobicContact CD1-CZ2 3.84Å; I896-W1095 HydrophobicContact CG2-CH2 4.25Å; I896-W1095 HydrophobicContact CG2-CZ2 4.33Å
897E96.4Very high95.9Very high148 Ų14869.8 Ų69.869%0.69236%0.36SS*.EExtended strand (participates in β ladder)trans-107.3143.7-175.4-62.3-170136.100112.6R966 I967 N968E897-R966 PolarHBondContact N-O 3.45Å; E897-I967 CarbonylContact O-C 3.5Å; E897-I967 WeakPolarHBondContact O-CA 3.46Å; E897-N968 PolarHBondContact O-N 3.17Å
898N98.3Very high95.4Very high85 Ų8572 Ų7246%0.45538%0.375SS..EExtended strand (participates in β ladder)trans-75.3133.2175.1-75.3-12.7000110.9D888 N968D888-N898 VanDerWaalsContact CG-ND2 3.3Å; D888-N898 PolarHBondContact OD1-ND2 2.8Å; D888-N898 PolarHBondContact OD2-ND2 3.5Å; N898-N968 CarbonylContact C-O 3.58Å; N898-N968 VanDerWaalsContact CA-O 3.29Å; N898-N968 WeakPolarHBondContact CA-O 3.45Å; N898-N968 WeakPolarHBondContact OD1-CB 3.3Å; N898-N968 PolarHBondContact OD1-ND2 2.63Å
899A97.1Very high94.7Very high34 Ų3470.6 Ų70.628%0.28137%0.37SS..  trans-133.9167.5175.900000110.8F901 I967 N968A899-F901 HydrophobicContact CB-CE2 4.11Å; A899-I967 HydrophobicContact CB-CB 4.48Å; A899-N968 PolarHBondContact N-O 2.83Å
900Y97.1Very high93.9Very high162 Ų16264.9 Ų64.964%0.63534%0.344SS*.  trans-132.2127.5175.9174.9-96.2000111
901F96.2Very high93Very high13 Ų1365.8 Ų65.86%0.05735%0.349CS..  trans-112.9153.8173.6-69.9-104.4000111.2A899 R942 I948 M949 I952 F953 W956 I967A899-F901 HydrophobicContact CB-CE2 4.11Å; F901-R942 PolarHBondContact O-NH1 2.9Å; F901-I948 HydrophobicContact CB-CG2 3.92Å; F901-I948 HydrophobicContact CD1-CG2 4.13Å; F901-I948 HydrophobicContact CG-CG2 4.47Å; F901-M949 HydrophobicContact CD1-CG 3.82Å; F901-M949 HydrophobicContact CD2-CE 3.59Å; F901-M949 HydrophobicContact CD2-CG 3.91Å; F901-M949 HydrophobicContact CD2-SD 4.31Å; F901-M949 HydrophobicContact CE1-CB 4.21Å; F901-M949 HydrophobicContact CE1-CG 3.84Å; F901-M949 HydrophobicContact CE2-CE 3.99Å; F901-M949 HydrophobicContact CE2-CG 3.93Å; F901-M949 HydrophobicContact CE2-SD 4.25Å; F901-M949 HydrophobicContact CG-CE 4.17Å; F901-M949 HydrophobicContact CG-CG 3.85Å; F901-M949 HydrophobicContact CZ-CB 4.37Å; F901-M949 HydrophobicContact CZ-CG 3.89Å; F901-I952 HydrophobicContact CE1-CB 4.27Å; F901-I952 HydrophobicContact CE1-CG2 4.31Å; F901-F953 HydrophobicContact CZ-CE1 4.37Å; F901-W956 HydrophobicContact CE1-CH2 4.23Å; F901-W956 HydrophobicContact CE2-CH2 4.42Å; F901-W956 AromaticContact CZ-CH2 3.6Å; F901-W956 HydrophobicContact CZ-CH2 3.6Å; F901-W956 AromaticContact CZ-CZ3 3.91Å; F901-W956 HydrophobicContact CZ-CZ3 3.91Å; F901-I967 HydrophobicContact CE2-CD1 3.51Å; F901-I967 HydrophobicContact CZ-CD1 3.85Å
902P95.2Very high91.7Very high79 Ų7972.8 Ų72.851%0.51338%0.375SS..  trans-58.2154.3-178.2-25.935.4000114.8R942 I948P902-R942 PolarHBondContact O-NH1 2.87Å; P902-I948 WeakPolarHBondContact O-CD1 3.08Å
903M94.4Very high90.3Very high62 Ų6264.8 Ų64.831%0.30534%0.341SS..SBendtrans-76.7-38178.5-179.3-170.7-5600113.6I941 R942M903-I941 HydrophobicContact CG-CG2 3.91Å; M903-I941 HydrophobicContact SD-CG2 4.2Å; M903-R942 WeakPolarHBondContact O-CB 3.4Å; M903-R942 WeakPolarHBondContact O-CG 3.37Å; M903-R942 PolarHBondContact O-N 3.2Å
904F94.4Very high88.7Confident108 Ų10864.5 Ų64.547%0.47433%0.329SS..EExtended strand (participates in β ladder)trans-87137.1-175.7-64-47000111.5V927 I939 A940 I941F904-V927 HydrophobicContact CD1-CG2 4.43Å; F904-V927 HydrophobicContact CE1-CG2 3.8Å; F904-V927 HydrophobicContact CZ-CG2 4.45Å; F904-I939 HydrophobicContact CB-CB 4.48Å; F904-I939 HydrophobicContact CB-CD1 3.98Å; F904-I939 HydrophobicContact CB-CG1 4.42Å; F904-I939 HydrophobicContact CD1-CD1 4.05Å; F904-I939 HydrophobicContact CD1-CG1 4.29Å; F904-I939 HydrophobicContact CD2-CD1 3.89Å; F904-I939 HydrophobicContact CE2-CD1 4.38Å; F904-I939 HydrophobicContact CG-CD1 3.72Å; F904-I939 HydrophobicContact CG-CG1 4.33Å; F904-A940 WeakPolarHBondContact CA-O 3.15Å; F904-I941 HydrophobicContact CD1-CG1 4.41Å; F904-I941 HydrophobicContact CE1-CG1 4.11Å
905V91Very high86.8Confident8 Ų868.8 Ų68.85%0.04835%0.353CS..EExtended strand (participates in β ladder)trans-125.9137174.360.60000109.6A909 L910 I939 A940 I948V905-A909 HydrophobicContact CG2-CB 3.8Å; V905-L910 HydrophobicContact CB-CG 4.49Å; V905-L910 HydrophobicContact CG1-CD1 3.61Å; V905-L910 HydrophobicContact CG1-CD2 3.99Å; V905-L910 HydrophobicContact CG1-CG 3.67Å; V905-L910 HydrophobicContact CG2-CD2 4.35Å; V905-L910 HydrophobicContact CG2-CG 3.98Å; V905-I939 CarbonylContact O-C 3.59Å; V905-I939 WeakPolarHBondContact O-CA 3.27Å; V905-A940 HydrophobicContact CG1-CB 3.95Å; V905-A940 PolarHBondContact N-O 2.76Å; V905-A940 PolarHBondContact O-N 3.13Å; V905-I948 HydrophobicContact CB-CD1 4.09Å; V905-I948 HydrophobicContact CB-CG1 3.99Å; V905-I948 HydrophobicContact CG2-CG1 4.04Å
906S90.7Very high84.9Confident40 Ų4072.5 Ų72.528%0.2836%0.356SS..EExtended strand (participates in β ladder)trans-69.6148.4-179.876.70000110.8S908 A909 L910 E937S906-S908 PolarHBondContact O-N 3.27Å; S906-S908 PolarHBondContact OG-OG 3.2Å; S906-A909 PolarHBondContact O-N 3.28Å; S906-A909 VanDerWaalsContact O-N 3.09Å; S906-A909 WeakPolarHBondContact OG-CB 3.43Å; S906-A909 PolarHBondContact OG-N 3.13Å; S906-L910 PolarHBondContact O-N 2.87Å; S906-E937 WeakPolarHBondContact CB-OE1 3.49Å
907K88.9Confident82.8Confident77 Ų7772.7 Ų72.734%0.33536%0.357SS..Hα-helixtrans-55.3-42.8175.4177.4173.4173.9-177.10111.7A909 L910 E911 W926 E937 P938K907-A909 VanDerWaalsContact C-N 3.27Å; K907-A909 PolarHBondContact O-N 3.35Å; K907-L910 PolarHBondContact O-N 2.71Å; K907-E911 WeakPolarHBondContact CE-OE1 3.46Å; K907-E911 HydrophobicContact CG-CG 4.26Å; K907-E911 IonicContact NZ-OE1 2.67Å; K907-E911 WeakPolarHBondContact O-CB 3.48Å; K907-E911 WeakPolarHBondContact O-CG 3.36Å; K907-E911 PolarHBondContact O-N 3.49Å; K907-W926 HydrophobicContact CB-CH2 3.74Å; K907-W926 HydrophobicContact CB-CZ3 3.59Å; K907-W926 HydrophobicContact CD-CH2 4.29Å; K907-W926 HydrophobicContact CG-CH2 3.71Å; K907-W926 HydrophobicContact CG-CZ2 4.47Å; K907-W926 HydrophobicContact CG-CZ3 4.05Å; K907-E937 HydrophobicContact CB-CG 4.28Å; K907-E937 PolarHBondContact N-OE1 2.97Å; K907-P938 HydrophobicContact CB-CB 4.48Å; K907-P938 VanDerWaalsContact CB-O 3.23Å; K907-P938 WeakPolarHBondContact CB-O 3.37Å; K907-P938 HydrophobicContact CD-CB 4.39Å; K907-P938 HydrophobicContact CD-CG 4.32Å; K907-P938 PolarHBondContact N-O 3.36Å
908S86.2Confident80.7Confident46 Ų4671.9 Ų71.932%0.32236%0.363SS..Hα-helixtrans-59.8-33.8177.352.90000113.3S906 R912 E937S906-S908 PolarHBondContact O-N 3.27Å; S906-S908 PolarHBondContact OG-OG 3.2Å; S908-R912 WeakPolarHBondContact O-CG 3.48Å; S908-E937 VanDerWaalsContact CB-OE1 3.28Å; S908-E937 WeakPolarHBondContact CB-OE1 3.19Å; S908-E937 PolarHBondContact N-OE1 2.83Å; S908-E937 PolarHBondContact OG-OE1 2.88Å; S908-E937 PolarHBondContact OG-OE2 2.98Å
909A84.2Confident78.5Confident18 Ų1873.9 Ų73.915%0.14937%0.373CS..Hα-helixtrans-72.9-44.5176.200000111.7V905 S906 K907 E911 R912V905-A909 HydrophobicContact CG2-CB 3.8Å; S906-A909 PolarHBondContact O-N 3.28Å; S906-A909 VanDerWaalsContact O-N 3.09Å; S906-A909 WeakPolarHBondContact OG-CB 3.43Å; S906-A909 PolarHBondContact OG-N 3.13Å; K907-A909 VanDerWaalsContact C-N 3.27Å; K907-A909 PolarHBondContact O-N 3.35Å; A909-E911 PolarHBondContact O-N 3.12Å; A909-R912 PolarHBondContact O-N 3.34Å
910L80.5Confident76.6Confident13 Ų1373.7 Ų73.77%0.06837%0.366CS..Hα-helixtrans-64.4-37.3176.2-76.6176.5000113V905 S906 K907 R912 E913 K914 V924 W926 A940 P943V905-L910 HydrophobicContact CB-CG 4.49Å; V905-L910 HydrophobicContact CG1-CD1 3.61Å; V905-L910 HydrophobicContact CG1-CD2 3.99Å; V905-L910 HydrophobicContact CG1-CG 3.67Å; V905-L910 HydrophobicContact CG2-CD2 4.35Å; V905-L910 HydrophobicContact CG2-CG 3.98Å; S906-L910 PolarHBondContact O-N 2.87Å; K907-L910 PolarHBondContact O-N 2.71Å; L910-R912 VanDerWaalsContact C-N 3.28Å; L910-R912 PolarHBondContact O-N 3.38Å; L910-E913 WeakPolarHBondContact O-CB 3.45Å; L910-E913 PolarHBondContact O-N 2.92Å; L910-K914 PolarHBondContact O-N 3.48Å; L910-V924 HydrophobicContact CD1-CG1 4.26Å; L910-V924 HydrophobicContact CD1-CG2 4.5Å; L910-W926 HydrophobicContact CD1-CH2 4.05Å; L910-A940 HydrophobicContact CD1-CB 3.46Å; L910-A940 VanDerWaalsContact CD1-CB 3.46Å; L910-P943 HydrophobicContact CD2-CG 4.45Å
911E79.3Confident74.6Confident92 Ų9269.3 Ų69.343%0.4336%0.364SS..Hα-helixtrans-68.7-24.9-179.8-75.8-178.6163.600113.1K907 A909 E913 K914 N915K907-E911 WeakPolarHBondContact CE-OE1 3.46Å; K907-E911 HydrophobicContact CG-CG 4.26Å; K907-E911 IonicContact NZ-OE1 2.67Å; K907-E911 WeakPolarHBondContact O-CB 3.48Å; K907-E911 WeakPolarHBondContact O-CG 3.36Å; K907-E911 PolarHBondContact O-N 3.49Å; A909-E911 PolarHBondContact O-N 3.12Å; E911-E913 VanDerWaalsContact C-N 3.31Å; E911-E913 PolarHBondContact O-N 3.06Å; E911-K914 PolarHBondContact O-N 3.05Å; E911-N915 PolarHBondContact O-N 2.89Å; E911-N915 PolarHBondContact O-ND2 3.4Å
912R71.9Confident72.8Confident147 Ų14770.2 Ų70.256%0.55537%0.37SS*.Hα-helixtrans-61.4-41.3172.3-71.1-180-150.5-175.75.7111.4S908 A909 L910 N915 H916S908-R912 WeakPolarHBondContact O-CG 3.48Å; A909-R912 PolarHBondContact O-N 3.34Å; L910-R912 VanDerWaalsContact C-N 3.28Å; L910-R912 PolarHBondContact O-N 3.38Å; R912-N915 PolarHBondContact O-N 3.49Å; R912-H916 PolarHBondContact O-CD2 2.82Å; R912-H916 VanDerWaalsContact O-CD2 3.24Å
913E66.9Low71.6Confident1 Ų172 Ų721%0.00537%0.372CS..Hα-helixtrans-64.1-44.7178-172.4170.4-158.300111.5L910 E911 N915 H916 V917 F920 T947L910-E913 WeakPolarHBondContact O-CB 3.45Å; L910-E913 PolarHBondContact O-N 2.92Å; E911-E913 VanDerWaalsContact C-N 3.31Å; E911-E913 PolarHBondContact O-N 3.06Å; E913-N915 VanDerWaalsContact C-N 3.31Å; E913-N915 PolarHBondContact O-N 3.09Å; E913-H916 PolarHBondContact O-N 3.48Å; E913-H916 VanDerWaalsContact O-N 3.14Å; E913-V917 PolarHBondContact O-N 2.72Å; E913-F920 HydrophobicContact CB-CD1 4.44Å; E913-F920 VanDerWaalsContact CD-CE1 3.42Å; E913-F920 HydrophobicContact CG-CD1 3.83Å; E913-F920 HydrophobicContact CG-CE1 4.09Å; E913-F920 HydrophobicContact CG-CG 4.25Å; E913-F920 WeakPolarHBondContact OE2-CE1 3.31Å; E913-T947 HydrophobicContact CB-CG2 3.77Å; E913-T947 HydrophobicContact CG-CG2 4.39Å; E913-T947 WeakPolarHBondContact OE2-CG2 3.43Å
914K63.9Low71.2Confident122 Ų12269.9 Ų69.953%0.5336%0.363SS..Hα-helixtrans-61.2-34.5178.8-176.3172.8-176.8176.30113.9L910 E911 H916L910-K914 PolarHBondContact O-N 3.48Å; E911-K914 PolarHBondContact O-N 3.05Å; K914-H916 PolarHBondContact O-N 3.19Å
915N56.9Low71Confident131 Ų13165.6 Ų65.670%0.70135%0.347SS*.Hα-helixtrans-68.5-23179.4-71.7-27.4000113E911 R912 E913E911-N915 PolarHBondContact O-N 2.89Å; E911-N915 PolarHBondContact O-ND2 3.4Å; R912-N915 PolarHBondContact O-N 3.49Å; E913-N915 VanDerWaalsContact C-N 3.31Å; E913-N915 PolarHBondContact O-N 3.09Å
916H54.3Low71.1Confident130 Ų13070.6 Ų70.660%0.60237%0.365SS*.Hα-helixtrans-106.2-26.7-178.2-69.7-68.9000113.3R912 E913 K914 M1074R912-H916 PolarHBondContact O-CD2 2.82Å; R912-H916 VanDerWaalsContact O-CD2 3.24Å; E913-H916 PolarHBondContact O-N 3.48Å; E913-H916 VanDerWaalsContact O-N 3.14Å; K914-H916 PolarHBondContact O-N 3.19Å; H916-M1074 HydrophobicContact CB-CE 3.34Å; H916-M1074 HydrophobicContact CB-SD 4.16Å
917V55.5Low71.3Confident11 Ų1170.7 Ų70.77%0.06736%0.364CS..  trans-11297.7179.2-172.30000108.9E913 D919 F920 A1040 M1074E913-V917 PolarHBondContact O-N 2.72Å; V917-D919 PolarHBondContact O-N 2.85Å; V917-F920 HydrophobicContact CB-CB 3.93Å; V917-F920 HydrophobicContact CG1-CB 3.89Å; V917-F920 PolarHBondContact O-N 3.03Å; V917-A1040 HydrophobicContact CG1-CB 3.37Å; V917-M1074 HydrophobicContact CG2-CE 4.33Å
918T52.2Low71.6Confident131 Ų13170.3 Ų70.380%0.80437%0.368SS*.THydrogen-bonded Turntrans-58.5-19-170.942.30000115.2
919D52.5Low72Confident127 Ų12773.6 Ų73.668%0.67938%0.377SS*.THydrogen-bonded Turntrans-110.78.2-177.8-61.7-43.6000113.3V917 A921V917-D919 PolarHBondContact O-N 2.85Å; D919-A921 PolarHBondContact O-N 3.34Å
920F55.6Low72.2Confident29 Ų2976.7 Ų76.713%0.12740%0.398CS..  trans-89.7101.6176.6-156.9-102.9000110.8E913 V917 P922 T944E913-F920 HydrophobicContact CB-CD1 4.44Å; E913-F920 VanDerWaalsContact CD-CE1 3.42Å; E913-F920 HydrophobicContact CG-CD1 3.83Å; E913-F920 HydrophobicContact CG-CE1 4.09Å; E913-F920 HydrophobicContact CG-CG 4.25Å; E913-F920 WeakPolarHBondContact OE2-CE1 3.31Å; V917-F920 HydrophobicContact CB-CB 3.93Å; V917-F920 HydrophobicContact CG1-CB 3.89Å; V917-F920 PolarHBondContact O-N 3.03Å; F920-P922 VanDerWaalsContact CD1-CD 3.43Å; F920-P922 HydrophobicContact CD1-CG 3.95Å; F920-P922 HydrophobicContact CE1-CB 4.4Å; F920-P922 HydrophobicContact CE1-CG 3.51Å; F920-P922 HydrophobicContact CZ-CG 4.11Å; F920-T944 HydrophobicContact CZ-CG2 3.81Å
921A56.7Low72.7Confident71 Ų7179.3 Ų79.359%0.58743%0.428SS*.  trans-134.969.2174.800000110.3D919 E923D919-A921 PolarHBondContact O-N 3.34Å; A921-E923 PolarHBondContact O-N 3.02Å; A921-E923 VanDerWaalsContact O-N 3.15Å
922P57.3Low73.1Confident31 Ų3182 Ų8220%0.20145%0.445CS..  trans-64.512217828.7-35000108.4F920 V924 P943F920-P922 VanDerWaalsContact CD1-CD 3.43Å; F920-P922 HydrophobicContact CD1-CG 3.95Å; F920-P922 HydrophobicContact CE1-CB 4.4Å; F920-P922 HydrophobicContact CE1-CG 3.51Å; F920-P922 HydrophobicContact CZ-CG 4.11Å; P922-V924 VanDerWaalsContact C-N 3.32Å; P922-V924 HydrophobicContact CB-CG1 3.7Å; P922-V924 HydrophobicContact CG-CG1 3.84Å; P922-V924 PolarHBondContact O-N 2.99Å; P922-P943 HydrophobicContact CB-CB 4.02Å; P922-P943 HydrophobicContact CB-CG 3.89Å; P922-P943 HydrophobicContact CG-CG 4.13Å
923E71.1Confident74Confident118 Ų11880 Ų8055%0.55145%0.449SS*.  trans-68.899.6161.9-64.1-166.4162.700106.2A921 W976 E977A921-E923 PolarHBondContact O-N 3.02Å; A921-E923 VanDerWaalsContact O-N 3.15Å; E923-W976 WeakPolarHBondContact CB-O 3.38Å; E923-W976 WeakPolarHBondContact O-CA 3.21Å; E923-W976 VanDerWaalsContact O-CB 3.32Å; E923-W976 WeakPolarHBondContact O-CB 3.4Å; E923-W976 PolarHBondContact O-N 2.86Å; E923-E977 HydrophobicContact CB-CB 4.41Å; E923-E977 HydrophobicContact CB-CG 3.85Å; E923-E977 HydrophobicContact CG-CG 4.36Å; E923-E977 VanDerWaalsContact OE2-CA 3.28Å; E923-E977 WeakPolarHBondContact OE2-CA 3.43Å
924V85.1Confident75.3Confident17 Ų1785.3 Ų85.310%0.10348%0.478CS..  trans-98.9153.2-176.7-62.70000111.9L910 P922 W926 A940 P943L910-V924 HydrophobicContact CD1-CG1 4.26Å; L910-V924 HydrophobicContact CD1-CG2 4.5Å; P922-V924 VanDerWaalsContact C-N 3.32Å; P922-V924 HydrophobicContact CB-CG1 3.7Å; P922-V924 HydrophobicContact CG-CG1 3.84Å; P922-V924 PolarHBondContact O-N 2.99Å; V924-W926 HydrophobicContact CG2-CD2 3.88Å; V924-W926 HydrophobicContact CG2-CE3 4.45Å; V924-W926 HydrophobicContact CG2-CG 4.37Å; V924-W926 HydrophobicContact CG2-CH2 3.97Å; V924-W926 HydrophobicContact CG2-CZ2 3.33Å; V924-W926 HydrophobicContact CG2-CZ3 4.49Å; V924-A940 HydrophobicContact CB-CB 3.97Å; V924-A940 HydrophobicContact CG1-CB 4.46Å; V924-A940 HydrophobicContact CG2-CB 3.83Å; V924-P943 HydrophobicContact CG1-CB 4.06Å; V924-P943 HydrophobicContact CG1-CG 3.63Å
925A90.9Very high76.6Confident18 Ų1882.2 Ų82.215%0.14947%0.467CS..  trans-81.3115167.900000109.7A940 I941 V974 W976A925-A940 WeakPolarHBondContact O-CA 3.45Å; A925-I941 HydrophobicContact CB-CB 4.46Å; A925-I941 HydrophobicContact CB-CD1 4.17Å; A925-I941 HydrophobicContact CB-CG1 4.47Å; A925-I941 PolarHBondContact O-N 3.07Å; A925-V974 HydrophobicContact CB-CG1 3.78Å; A925-W976 HydrophobicContact CB-CE3 4.08Å
926W92.6Very high78.2Confident112 Ų11281.7 Ų81.742%0.42448%0.48SS..EExtended strand (participates in β ladder)trans-89.5134.1177.6-65.6105.2000111.7K907 L910 V924 T928 P938 A940K907-W926 HydrophobicContact CB-CH2 3.74Å; K907-W926 HydrophobicContact CB-CZ3 3.59Å; K907-W926 HydrophobicContact CD-CH2 4.29Å; K907-W926 HydrophobicContact CG-CH2 3.71Å; K907-W926 HydrophobicContact CG-CZ2 4.47Å; K907-W926 HydrophobicContact CG-CZ3 4.05Å; L910-W926 HydrophobicContact CD1-CH2 4.05Å; V924-W926 HydrophobicContact CG2-CD2 3.88Å; V924-W926 HydrophobicContact CG2-CE3 4.45Å; V924-W926 HydrophobicContact CG2-CG 4.37Å; V924-W926 HydrophobicContact CG2-CH2 3.97Å; V924-W926 HydrophobicContact CG2-CZ2 3.33Å; V924-W926 HydrophobicContact CG2-CZ3 4.49Å; W926-T928 HydrophobicContact CB-CG2 4.18Å; W926-P938 HydrophobicContact CD2-CB 4.46Å; W926-P938 HydrophobicContact CE3-CB 3.81Å; W926-P938 HydrophobicContact CZ3-CB 4.28Å; W926-A940 HydrophobicContact CD2-CB 4.42Å; W926-A940 HydrophobicContact CE3-CB 3.79Å; W926-A940 HydrophobicContact CH2-CB 4.12Å; W926-A940 HydrophobicContact CZ3-CB 3.61Å
927V93.8Very high80Confident42 Ų4279 Ų7926%0.25547%0.468SS..EExtended strand (participates in β ladder)trans-97.2116.9160.7-174.10000107.1F904 L935 I939 I941F904-V927 HydrophobicContact CD1-CG2 4.43Å; F904-V927 HydrophobicContact CE1-CG2 3.8Å; F904-V927 HydrophobicContact CZ-CG2 4.45Å; V927-L935 HydrophobicContact CG1-CD1 3.98Å; V927-I939 HydrophobicContact CB-CD1 4.33Å; V927-I939 HydrophobicContact CB-CG1 3.75Å; V927-I939 HydrophobicContact CG1-CG1 4.4Å; V927-I939 HydrophobicContact CG2-CG1 4.44Å; V927-I939 PolarHBondContact N-O 2.88Å; V927-I939 PolarHBondContact O-N 3.42Å; V927-I939 VanDerWaalsContact O-N 3.09Å; V927-I941 HydrophobicContact CG2-CG1 4.38Å
928T95.3Very high81.7Confident70 Ų7080.6 Ų80.643%0.42948%0.478SS..EExtended strand (participates in β ladder)trans-115.2-7.3-17851.50000112.9W926 D934 L935 P938W926-T928 HydrophobicContact CB-CG2 4.18Å; T928-D934 WeakPolarHBondContact O-CA 3.19Å; T928-L935 PolarHBondContact O-N 3.29Å; T928-P938 HydrophobicContact CG2-CB 4.18Å; T928-P938 HydrophobicContact CG2-CG 4.41Å
929K94.7Very high83.7Confident114 Ų11476.2 Ų76.250%0.49645%0.45SS..EExtended strand (participates in β ladder)trans-136.1150.6-176.4-62.9-168.6175.2-158.40112.4T933 D934K929-T933 CarbonylContact C-O 3.55Å; K929-T933 VanDerWaalsContact CA-O 3.25Å; K929-T933 WeakPolarHBondContact CA-O 3.47Å; K929-D934 WeakPolarHBondContact CE-OD1 3.24Å; K929-D934 WeakPolarHBondContact CG-OD1 3.37Å
930S90.2Very high85.6Confident84 Ų8470.2 Ų70.259%0.58742%0.417SS*.EExtended strand (participates in β ladder)trans-123.5110164.5-173.30000108.4D932 T933S930-D932 PolarHBondContact O-N 2.84Å; S930-T933 PolarHBondContact N-O 3.06Å; S930-T933 PolarHBondContact O-N 3.12Å; S930-T933 VanDerWaalsContact O-N 3.16Å
931G89.6Confident87.4Confident68 Ų6870.6 Ų70.670%0.70142%0.42SS*.THydrogen-bonded Turntrans59.2-127.4-161.100000110.4
932D88.9Confident89.1Confident149 Ų14967.2 Ų67.280%0.79739%0.392SS*.THydrogen-bonded Turntrans-92-4.6176.5-66-47.6000113.8S930S930-D932 PolarHBondContact O-N 2.84Å
933T90.1Very high90.6Very high104 Ų10465.8 Ų65.864%0.63838%0.384SS*.EExtended strand (participates in β ladder)trans-91.6134.5-176.6-49.80000110.8K929 S930K929-T933 CarbonylContact C-O 3.55Å; K929-T933 VanDerWaalsContact CA-O 3.25Å; K929-T933 WeakPolarHBondContact CA-O 3.47Å; S930-T933 PolarHBondContact N-O 3.06Å; S930-T933 PolarHBondContact O-N 3.12Å; S930-T933 VanDerWaalsContact O-N 3.16Å
934D94.2Very high91.3Very high113 Ų11360.4 Ų60.460%0.60436%0.359SS*.EExtended strand (participates in β ladder)trans-68.1139.2174.2-66.8-34.7000111T928 K929T928-D934 WeakPolarHBondContact O-CA 3.19Å; K929-D934 WeakPolarHBondContact CE-OD1 3.24Å; K929-D934 WeakPolarHBondContact CG-OD1 3.37Å
935L92.2Very high91.6Very high57 Ų5759.6 Ų59.630%0.29835%0.354SS..EExtended strand (participates in β ladder)trans-70.5144.4172.7-69.6176000110.2V927 T928 E937 I939V927-L935 HydrophobicContact CG1-CD1 3.98Å; T928-L935 PolarHBondContact O-N 3.29Å; L935-E937 WeakPolarHBondContact CB-O 3.19Å; L935-E937 PolarHBondContact O-N 3.35Å; L935-I939 HydrophobicContact CD1-CD1 3.92Å; L935-I939 HydrophobicContact CD1-CG1 3.98Å
936A89.4Confident91.5Very high119 Ų11958.9 Ų58.998%0.98335%0.347SS*.EExtended strand (participates in β ladder)trans-57.8-33178.500000112.8
937E91.3Very high91.2Very high75 Ų7553.8 Ų53.835%0.3533%0.328SS..EExtended strand (participates in β ladder)trans-138.4136.2172.2166.2174.2171.200108.4S906 K907 S908 L935 I939S906-E937 WeakPolarHBondContact CB-OE1 3.49Å; K907-E937 HydrophobicContact CB-CG 4.28Å; K907-E937 PolarHBondContact N-OE1 2.97Å; S908-E937 VanDerWaalsContact CB-OE1 3.28Å; S908-E937 WeakPolarHBondContact CB-OE1 3.19Å; S908-E937 PolarHBondContact N-OE1 2.83Å; S908-E937 PolarHBondContact OG-OE1 2.88Å; S908-E937 PolarHBondContact OG-OE2 2.98Å; L935-E937 WeakPolarHBondContact CB-O 3.19Å; L935-E937 PolarHBondContact O-N 3.35Å; E937-I939 PolarHBondContact O-N 3.4Å
938P93.1Very high91.1Very high43 Ų4352.8 Ų52.828%0.27932%0.322SS..EExtended strand (participates in β ladder)trans-58.5135170.3-24.234.4000111.5K907 W926 T928K907-P938 HydrophobicContact CB-CB 4.48Å; K907-P938 VanDerWaalsContact CB-O 3.23Å; K907-P938 WeakPolarHBondContact CB-O 3.37Å; K907-P938 HydrophobicContact CD-CB 4.39Å; K907-P938 HydrophobicContact CD-CG 4.32Å; K907-P938 PolarHBondContact N-O 3.36Å; W926-P938 HydrophobicContact CD2-CB 4.46Å; W926-P938 HydrophobicContact CE3-CB 3.81Å; W926-P938 HydrophobicContact CZ3-CB 4.28Å; T928-P938 HydrophobicContact CG2-CB 4.18Å; T928-P938 HydrophobicContact CG2-CG 4.41Å
939I94.1Very high91.1Very high40 Ų4049.5 Ų49.521%0.20530%0.301CS..EExtended strand (participates in β ladder)trans-114141.2172.765.7-174000108.7F904 V905 V927 L935 E937F904-I939 HydrophobicContact CB-CB 4.48Å; F904-I939 HydrophobicContact CB-CD1 3.98Å; F904-I939 HydrophobicContact CB-CG1 4.42Å; F904-I939 HydrophobicContact CD1-CD1 4.05Å; F904-I939 HydrophobicContact CD1-CG1 4.29Å; F904-I939 HydrophobicContact CD2-CD1 3.89Å; F904-I939 HydrophobicContact CE2-CD1 4.38Å; F904-I939 HydrophobicContact CG-CD1 3.72Å; F904-I939 HydrophobicContact CG-CG1 4.33Å; V905-I939 CarbonylContact O-C 3.59Å; V905-I939 WeakPolarHBondContact O-CA 3.27Å; V927-I939 HydrophobicContact CB-CD1 4.33Å; V927-I939 HydrophobicContact CB-CG1 3.75Å; V927-I939 HydrophobicContact CG1-CG1 4.4Å; V927-I939 HydrophobicContact CG2-CG1 4.44Å; V927-I939 PolarHBondContact N-O 2.88Å; V927-I939 PolarHBondContact O-N 3.42Å; V927-I939 VanDerWaalsContact O-N 3.09Å; L935-I939 HydrophobicContact CD1-CD1 3.92Å; L935-I939 HydrophobicContact CD1-CG1 3.98Å; E937-I939 PolarHBondContact O-N 3.4Å
940A92.3Very high91Very high0 Ų044.1 Ų44.10%028%0.278CS..EExtended strand (participates in β ladder)trans-97149.8175.500000110.4F904 V905 L910 V924 A925 W926F904-A940 WeakPolarHBondContact CA-O 3.15Å; V905-A940 HydrophobicContact CG1-CB 3.95Å; V905-A940 PolarHBondContact N-O 2.76Å; V905-A940 PolarHBondContact O-N 3.13Å; L910-A940 HydrophobicContact CD1-CB 3.46Å; L910-A940 VanDerWaalsContact CD1-CB 3.46Å; V924-A940 HydrophobicContact CB-CB 3.97Å; V924-A940 HydrophobicContact CG1-CB 4.46Å; V924-A940 HydrophobicContact CG2-CB 3.83Å; A925-A940 WeakPolarHBondContact O-CA 3.45Å; W926-A940 HydrophobicContact CD2-CB 4.42Å; W926-A940 HydrophobicContact CE3-CB 3.79Å; W926-A940 HydrophobicContact CH2-CB 4.12Å; W926-A940 HydrophobicContact CZ3-CB 3.61Å
941I93.7Very high91.2Very high37 Ų3742.3 Ų42.319%0.1926%0.264CS..EExtended strand (participates in β ladder)trans-71.5128.9157.2-56.3175.6000106.8M903 F904 A925 V927 P943 V974M903-I941 HydrophobicContact CG-CG2 3.91Å; M903-I941 HydrophobicContact SD-CG2 4.2Å; F904-I941 HydrophobicContact CD1-CG1 4.41Å; F904-I941 HydrophobicContact CE1-CG1 4.11Å; A925-I941 HydrophobicContact CB-CB 4.46Å; A925-I941 HydrophobicContact CB-CD1 4.17Å; A925-I941 HydrophobicContact CB-CG1 4.47Å; A925-I941 PolarHBondContact O-N 3.07Å; V927-I941 HydrophobicContact CG2-CG1 4.38Å; I941-P943 WeakPolarHBondContact O-CD 3.36Å; I941-V974 HydrophobicContact CB-CB 4.16Å; I941-V974 HydrophobicContact CB-CG2 4.36Å; I941-V974 HydrophobicContact CD1-CG2 4.39Å; I941-V974 HydrophobicContact CG2-CB 3.73Å; I941-V974 HydrophobicContact CG2-CG2 3.58Å
942R91.7Very high91.4Very high0 Ų041.4 Ų41.40%024%0.243CC..PPolyproline II helixtrans-54129.9-173.962.3170.2174.4-139.4-10.9113F901 P902 M903 I948 S971 N972 V973 V974F901-R942 PolarHBondContact O-NH1 2.9Å; P902-R942 PolarHBondContact O-NH1 2.87Å; M903-R942 WeakPolarHBondContact O-CB 3.4Å; M903-R942 WeakPolarHBondContact O-CG 3.37Å; M903-R942 PolarHBondContact O-N 3.2Å; R942-I948 HydrophobicContact CB-CD1 3.78Å; R942-I948 HydrophobicContact CG-CD1 4.49Å; R942-S971 PolarHBondContact NH2-OG 3.49Å; R942-S971 VanDerWaalsContact NH2-OG 3.1Å; R942-N972 PolarHBondContact NE-O 2.83Å; R942-V973 HydrophobicContact CG-CG1 4.14Å; R942-V973 WeakPolarHBondContact O-CB 3.42Å; R942-V974 PolarHBondContact O-N 2.87Å; R942-V974 VanDerWaalsContact O-N 3.13Å
943P89.4Confident91.8Very high2 Ų234.3 Ų34.31%0.01321%0.205CC..SBendtrans-90.3-17165.336.6-36.4000112.6L910 P922 V924 I941 R975 W992L910-P943 HydrophobicContact CD2-CG 4.45Å; P922-P943 HydrophobicContact CB-CB 4.02Å; P922-P943 HydrophobicContact CB-CG 3.89Å; P922-P943 HydrophobicContact CG-CG 4.13Å; V924-P943 HydrophobicContact CG1-CB 4.06Å; V924-P943 HydrophobicContact CG1-CG 3.63Å; I941-P943 WeakPolarHBondContact O-CD 3.36Å; P943-R975 HydrophobicContact CB-CG 4.18Å; P943-R975 PolarHBondContact O-NE 3.41Å; P943-R975 PolarHBondContact O-NH2 3.46Å; P943-W992 VanDerWaalsContact O-CZ3 3.22Å; P943-W992 WeakPolarHBondContact O-CZ3 3.49Å
944T86Confident92Very high5 Ų530.5 Ų30.53%0.03118%0.184CC..  trans-164.9160.6-175.6-1520000109.6F920 E946 W992F920-T944 HydrophobicContact CZ-CG2 3.81Å; T944-E946 VanDerWaalsContact CB-OE2 3.3Å; T944-E946 WeakPolarHBondContact CB-OE2 3.44Å; T944-E946 WeakPolarHBondContact CG2-OE2 3.25Å; T944-E946 PolarHBondContact OG1-OE2 2.86Å; T944-W992 WeakPolarHBondContact OG1-CH2 3.31Å
945S90.3Very high92.1Very high0 Ų032 Ų320%019%0.185CC..SBendtrans-107.1-2.5-174.8-650000116.2T947 I948 M949 Q969 E994S945-T947 VanDerWaalsContact C-N 3.34Å; S945-T947 PolarHBondContact O-N 3.26Å; S945-I948 WeakPolarHBondContact O-CA 3.31Å; S945-I948 WeakPolarHBondContact O-CB 3.24Å; S945-I948 PolarHBondContact O-N 2.89Å; S945-M949 WeakPolarHBondContact O-CG 3.31Å; S945-M949 PolarHBondContact O-N 2.81Å; S945-Q969 PolarHBondContact OG-NE2 3.44Å; S945-E994 VanDerWaalsContact CB-CD 3.46Å; S945-E994 VanDerWaalsContact CB-OE1 3.31Å; S945-E994 WeakPolarHBondContact CB-OE1 3.43Å; S945-E994 WeakPolarHBondContact CB-OE2 3.49Å; S945-E994 PolarHBondContact N-OE2 3.09Å; S945-E994 PolarHBondContact OG-OE1 3.2Å; S945-E994 PolarHBondContact OG-OE2 2.89Å
946E88.9Confident92.3Very high2 Ų235.2 Ų35.21%0.00919%0.193CC..Hα-helixtrans-53.1-48-178.8-74.880.5179.700112.7T944 I948 M949 Y950 H996 F1071 S1094T944-E946 VanDerWaalsContact CB-OE2 3.3Å; T944-E946 WeakPolarHBondContact CB-OE2 3.44Å; T944-E946 WeakPolarHBondContact CG2-OE2 3.25Å; T944-E946 PolarHBondContact OG1-OE2 2.86Å; E946-I948 PolarHBondContact O-N 3.25Å; E946-M949 PolarHBondContact O-N 2.79Å; E946-Y950 HydrophobicContact CB-CD2 3.9Å; E946-Y950 HydrophobicContact CB-CE2 3.55Å; E946-Y950 HydrophobicContact CG-CD2 4.3Å; E946-Y950 HydrophobicContact CG-CE2 3.44Å; E946-Y950 VanDerWaalsContact CG-CE2 3.44Å; E946-Y950 WeakPolarHBondContact O-CB 3.27Å; E946-Y950 WeakPolarHBondContact O-CD2 3.49Å; E946-Y950 PolarHBondContact O-N 3.25Å; E946-H996 IonicContact OE1-CE1 3.78Å; E946-H996 PolarHBondContact OE1-CE1 2.91Å; E946-F1071 HydrophobicContact CB-CD1 4.3Å; E946-F1071 HydrophobicContact CB-CE1 4.05Å; E946-F1071 HydrophobicContact CG-CD1 4.39Å; E946-F1071 HydrophobicContact CG-CE1 4.06Å; E946-S1094 PolarHBondContact OE1-OG 3.38Å
947T86.7Confident92.7Very high5 Ų529.6 Ų29.63%0.03115%0.146CC..Hα-helixtrans-68.2-18179.247.50000113.8E913 S945 P951 F1075E913-T947 HydrophobicContact CB-CG2 3.77Å; E913-T947 HydrophobicContact CG-CG2 4.39Å; E913-T947 WeakPolarHBondContact OE2-CG2 3.43Å; S945-T947 VanDerWaalsContact C-N 3.34Å; S945-T947 PolarHBondContact O-N 3.26Å; T947-P951 WeakPolarHBondContact O-CD 3.49Å; T947-P951 WeakPolarHBondContact O-CG 3.26Å; T947-F1075 HydrophobicContact CG2-CZ 4.05Å
948I91.3Very high92.4Very high22 Ų2231.4 Ų31.411%0.11316%0.155CC..Hα-helixtrans-90.4-42177.2-55175.2000109.9F901 P902 V905 R942 S945 E946F901-I948 HydrophobicContact CB-CG2 3.92Å; F901-I948 HydrophobicContact CD1-CG2 4.13Å; F901-I948 HydrophobicContact CG-CG2 4.47Å; P902-I948 WeakPolarHBondContact O-CD1 3.08Å; V905-I948 HydrophobicContact CB-CD1 4.09Å; V905-I948 HydrophobicContact CB-CG1 3.99Å; V905-I948 HydrophobicContact CG2-CG1 4.04Å; R942-I948 HydrophobicContact CB-CD1 3.78Å; R942-I948 HydrophobicContact CG-CD1 4.49Å; S945-I948 WeakPolarHBondContact O-CA 3.31Å; S945-I948 WeakPolarHBondContact O-CB 3.24Å; S945-I948 PolarHBondContact O-N 2.89Å; E946-I948 PolarHBondContact O-N 3.25Å
949M94.5Very high92.3Very high1 Ų130.9 Ų30.91%0.00515%0.152CC..Hα-helixtrans-83.1-46-172.5-67.9-175.6179.800113.3F901 S945 E946 I952 F953 I967 Q969 E994 H996F901-M949 HydrophobicContact CD1-CG 3.82Å; F901-M949 HydrophobicContact CD2-CE 3.59Å; F901-M949 HydrophobicContact CD2-CG 3.91Å; F901-M949 HydrophobicContact CD2-SD 4.31Å; F901-M949 HydrophobicContact CE1-CB 4.21Å; F901-M949 HydrophobicContact CE1-CG 3.84Å; F901-M949 HydrophobicContact CE2-CE 3.99Å; F901-M949 HydrophobicContact CE2-CG 3.93Å; F901-M949 HydrophobicContact CE2-SD 4.25Å; F901-M949 HydrophobicContact CG-CE 4.17Å; F901-M949 HydrophobicContact CG-CG 3.85Å; F901-M949 HydrophobicContact CZ-CB 4.37Å; F901-M949 HydrophobicContact CZ-CG 3.89Å; S945-M949 WeakPolarHBondContact O-CG 3.31Å; S945-M949 PolarHBondContact O-N 2.81Å; E946-M949 PolarHBondContact O-N 2.79Å; M949-I952 CarbonylContact O-C 3.54Å; M949-I952 WeakPolarHBondContact O-CA 3.26Å; M949-I952 WeakPolarHBondContact O-CB 3.33Å; M949-I952 PolarHBondContact O-N 3.47Å; M949-F953 HydrophobicContact CB-CD1 4.46Å; M949-F953 HydrophobicContact CB-CE1 4.1Å; M949-F953 VanDerWaalsContact O-CD1 3.31Å; M949-F953 WeakPolarHBondContact O-CD1 3.5Å; M949-F953 PolarHBondContact O-N 3.1Å; M949-I967 HydrophobicContact CE-CD1 4.47Å; M949-I967 HydrophobicContact SD-CD1 3.96Å; M949-Q969 HydrophobicContact CE-CB 3.92Å; M949-Q969 HydrophobicContact CE-CG 4.44Å; M949-E994 HydrophobicContact CE-CG 4.3Å; M949-H996 HydrophobicContact SD-CB 3.93Å; M949-H996 PolarHBondContact SD-CD2 2.95Å; M949-H996 VanDerWaalsContact SD-CG 3.57Å
950Y94.2Very high92Very high0 Ų032.2 Ų32.20%016%0.157CC..Hα-helixtrans-68.3-34.3-169.2-60.7-25.8000115.8E946 I952 F953 A954 H996 L1067 F1071 F1075E946-Y950 HydrophobicContact CB-CD2 3.9Å; E946-Y950 HydrophobicContact CB-CE2 3.55Å; E946-Y950 HydrophobicContact CG-CD2 4.3Å; E946-Y950 HydrophobicContact CG-CE2 3.44Å; E946-Y950 VanDerWaalsContact CG-CE2 3.44Å; E946-Y950 WeakPolarHBondContact O-CB 3.27Å; E946-Y950 WeakPolarHBondContact O-CD2 3.49Å; E946-Y950 PolarHBondContact O-N 3.25Å; Y950-I952 PolarHBondContact O-N 2.73Å; Y950-F953 AromaticContact CD1-CD2 3.93Å; Y950-F953 HydrophobicContact CD1-CD2 3.93Å; Y950-F953 HydrophobicContact CD1-CE2 4.19Å; Y950-F953 HydrophobicContact CD1-CG 4.27Å; Y950-F953 HydrophobicContact CE1-CD2 4.3Å; Y950-F953 HydrophobicContact CE1-CE2 4.16Å; Y950-F953 PolarHBondContact O-N 3.17Å; Y950-A954 PolarHBondContact O-N 2.78Å; Y950-H996 HydrophobicContact CE1-CB 4.26Å; Y950-H996 AromaticContact CE1-ND1 3.68Å; Y950-H996 AromaticContact CZ-ND1 3.55Å; Y950-H996 PolarHBondContact OH-ND1 2.83Å; Y950-L1067 HydrophobicContact CE2-CD1 4.23Å; Y950-L1067 WeakPolarHBondContact OH-CD1 3.47Å; Y950-F1071 HydrophobicContact CD2-CB 3.75Å; Y950-F1071 AromaticContact CD2-CD1 3.71Å; Y950-F1071 HydrophobicContact CD2-CD1 3.71Å; Y950-F1071 HydrophobicContact CD2-CG 4.07Å; Y950-F1071 HydrophobicContact CE2-CB 3.62Å; Y950-F1071 AromaticContact CE2-CD1 3.49Å; Y950-F1071 HydrophobicContact CE2-CD1 3.49Å; Y950-F1071 VanDerWaalsContact CE2-CD1 3.49Å; Y950-F1071 HydrophobicContact CE2-CE1 4.31Å; Y950-F1071 AromaticContact CE2-CG 3.68Å; Y950-F1071 HydrophobicContact CE2-CG 3.68Å; Y950-F1075 AromaticContact CD2-CD2 3.85Å; Y950-F1075 HydrophobicContact CD2-CD2 3.85Å; Y950-F1075 HydrophobicContact CD2-CE2 4.06Å; Y950-F1075 HydrophobicContact CG-CD2 4.28Å
951P92.8Very high92.1Very high46 Ų4642.2 Ų42.230%0.29920%0.195SC..Hα-helixtrans-59.6-26.5168.7-24.534.2000113.6T947 F1075T947-P951 WeakPolarHBondContact O-CD 3.49Å; T947-P951 WeakPolarHBondContact O-CG 3.26Å; P951-F1075 HydrophobicContact CG-CD1 3.74Å; P951-F1075 HydrophobicContact CG-CE1 4.01Å
952I95Very high92.2Very high50 Ų5043.7 Ų43.726%0.25620%0.204SC..Hα-helixtrans-85.4-34.8176.6-59.1-56000110.9F901 M949 Y950 A954 K955 W956F901-I952 HydrophobicContact CE1-CB 4.27Å; F901-I952 HydrophobicContact CE1-CG2 4.31Å; M949-I952 CarbonylContact O-C 3.54Å; M949-I952 WeakPolarHBondContact O-CA 3.26Å; M949-I952 WeakPolarHBondContact O-CB 3.33Å; M949-I952 PolarHBondContact O-N 3.47Å; Y950-I952 PolarHBondContact O-N 2.73Å; I952-A954 VanDerWaalsContact C-N 3.29Å; I952-A954 PolarHBondContact O-N 3.42Å; I952-K955 HydrophobicContact CD1-CD 4.29Å; I952-K955 WeakPolarHBondContact O-CA 3.2Å; I952-K955 WeakPolarHBondContact O-CB 3.45Å; I952-K955 PolarHBondContact O-N 3.02Å; I952-W956 HydrophobicContact CG2-CD2 3.82Å; I952-W956 HydrophobicContact CG2-CE3 4.37Å; I952-W956 HydrophobicContact CG2-CG 4.35Å; I952-W956 HydrophobicContact CG2-CH2 4.06Å; I952-W956 HydrophobicContact CG2-CZ2 3.46Å; I952-W956 VanDerWaalsContact CG2-CZ2 3.46Å; I952-W956 HydrophobicContact CG2-CZ3 4.47Å; I952-W956 PolarHBondContact O-N 2.91Å
953F97Very high92.4Very high0 Ų044.9 Ų44.90%021%0.21CC..Hα-helixtrans-59.1-41.2172.6-78.825.7000111.6F901 M949 Y950 K955 W956 I957 L965 I967 H996 A998 V1077F901-F953 HydrophobicContact CZ-CE1 4.37Å; M949-F953 HydrophobicContact CB-CD1 4.46Å; M949-F953 HydrophobicContact CB-CE1 4.1Å; M949-F953 VanDerWaalsContact O-CD1 3.31Å; M949-F953 WeakPolarHBondContact O-CD1 3.5Å; M949-F953 PolarHBondContact O-N 3.1Å; Y950-F953 AromaticContact CD1-CD2 3.93Å; Y950-F953 HydrophobicContact CD1-CD2 3.93Å; Y950-F953 HydrophobicContact CD1-CE2 4.19Å; Y950-F953 HydrophobicContact CD1-CG 4.27Å; Y950-F953 HydrophobicContact CE1-CD2 4.3Å; Y950-F953 HydrophobicContact CE1-CE2 4.16Å; Y950-F953 PolarHBondContact O-N 3.17Å; F953-K955 PolarHBondContact O-N 3.21Å; F953-K955 VanDerWaalsContact O-N 3.13Å; F953-W956 HydrophobicContact CD1-CE3 4.19Å; F953-W956 HydrophobicContact CD1-CZ3 4.37Å; F953-W956 HydrophobicContact CE1-CE3 4.44Å; F953-W956 HydrophobicContact CE1-CZ3 4.24Å; F953-W956 PolarHBondContact O-N 3.19Å; F953-W956 VanDerWaalsContact O-N 3.14Å; F953-I957 HydrophobicContact CB-CD1 4.22Å; F953-I957 WeakPolarHBondContact O-CB 3.4Å; F953-I957 PolarHBondContact O-N 2.89Å; F953-L965 HydrophobicContact CB-CD2 4.41Å; F953-L965 HydrophobicContact CD1-CD2 3.81Å; F953-L965 HydrophobicContact CD2-CD2 3.81Å; F953-L965 HydrophobicContact CE1-CD2 3.96Å; F953-L965 HydrophobicContact CE2-CD2 3.95Å; F953-L965 HydrophobicContact CG-CD2 3.75Å; F953-L965 HydrophobicContact CZ-CD2 4.03Å; F953-I967 HydrophobicContact CE1-CD1 3.44Å; F953-I967 VanDerWaalsContact CE1-CD1 3.44Å; F953-I967 HydrophobicContact CE1-CG1 4.07Å; F953-I967 HydrophobicContact CZ-CD1 3.47Å; F953-I967 VanDerWaalsContact CZ-CD1 3.47Å; F953-I967 HydrophobicContact CZ-CG1 3.62Å; F953-H996 HydrophobicContact CE2-CB 4.16Å; F953-H996 HydrophobicContact CZ-CB 3.86Å; F953-A998 HydrophobicContact CD2-CB 4.42Å; F953-V1077 HydrophobicContact CB-CG1 4.12Å; F953-V1077 HydrophobicContact CB-CG2 4.38Å
954A95.1Very high92.8Very high23 Ų2348.3 Ų48.319%0.1923%0.232CC..Hα-helixtrans-59.4-22.1174.100000113.5Y950 I952 Q958 V1077Y950-A954 PolarHBondContact O-N 2.78Å; I952-A954 VanDerWaalsContact C-N 3.29Å; I952-A954 PolarHBondContact O-N 3.42Å; A954-Q958 PolarHBondContact O-NE2 3.25Å; A954-V1077 HydrophobicContact CB-CB 4.48Å; A954-V1077 HydrophobicContact CB-CG2 4.03Å
955K94.8Very high93.4Very high144 Ų14449.5 Ų49.563%0.62624%0.238SC*.Hα-helixtrans-86.4-41.8174.1-62.3179.6-178.4179.60111.8I952 F953 Q958I952-K955 HydrophobicContact CD1-CD 4.29Å; I952-K955 WeakPolarHBondContact O-CA 3.2Å; I952-K955 WeakPolarHBondContact O-CB 3.45Å; I952-K955 PolarHBondContact O-N 3.02Å; F953-K955 PolarHBondContact O-N 3.21Å; F953-K955 VanDerWaalsContact O-N 3.13Å; K955-Q958 PolarHBondContact O-NE2 3.03Å
956W96.9Very high93.8Very high125 Ų12552 Ų5247%0.47325%0.247SC..Hα-helixtrans-72.9-32.8-177.8-65.9-12.4000113.1F901 I952 F953 L965F901-W956 HydrophobicContact CE1-CH2 4.23Å; F901-W956 HydrophobicContact CE2-CH2 4.42Å; F901-W956 AromaticContact CZ-CH2 3.6Å; F901-W956 HydrophobicContact CZ-CH2 3.6Å; F901-W956 AromaticContact CZ-CZ3 3.91Å; F901-W956 HydrophobicContact CZ-CZ3 3.91Å; I952-W956 HydrophobicContact CG2-CD2 3.82Å; I952-W956 HydrophobicContact CG2-CE3 4.37Å; I952-W956 HydrophobicContact CG2-CG 4.35Å; I952-W956 HydrophobicContact CG2-CH2 4.06Å; I952-W956 HydrophobicContact CG2-CZ2 3.46Å; I952-W956 VanDerWaalsContact CG2-CZ2 3.46Å; I952-W956 HydrophobicContact CG2-CZ3 4.47Å; I952-W956 PolarHBondContact O-N 2.91Å; F953-W956 HydrophobicContact CD1-CE3 4.19Å; F953-W956 HydrophobicContact CD1-CZ3 4.37Å; F953-W956 HydrophobicContact CE1-CE3 4.44Å; F953-W956 HydrophobicContact CE1-CZ3 4.24Å; F953-W956 PolarHBondContact O-N 3.19Å; F953-W956 VanDerWaalsContact O-N 3.14Å; W956-L965 HydrophobicContact CE3-CD1 4.4Å; W956-L965 HydrophobicContact CE3-CD2 3.95Å
957I97.2Very high94.2Very high1 Ų152.4 Ų52.41%0.00525%0.25CC..  trans-96.7115.5178.8-59.4161.3000107.8F953 L963 L965 A998 V1077 V1090F953-I957 HydrophobicContact CB-CD1 4.22Å; F953-I957 WeakPolarHBondContact O-CB 3.4Å; F953-I957 PolarHBondContact O-N 2.89Å; I957-L963 HydrophobicContact CD1-CD2 3.87Å; I957-L963 HydrophobicContact CG1-CD2 4.08Å; I957-L963 HydrophobicContact CG2-CD1 4.42Å; I957-L963 HydrophobicContact CG2-CD2 3.95Å; I957-L963 HydrophobicContact CG2-CG 4.16Å; I957-L965 HydrophobicContact CD1-CB 4.16Å; I957-L965 HydrophobicContact CD1-CD2 3.88Å; I957-L965 HydrophobicContact CG1-CB 4.33Å; I957-L965 HydrophobicContact CG1-CD2 4.06Å; I957-A998 HydrophobicContact CD1-CB 3.69Å; I957-V1077 HydrophobicContact CD1-CG1 3.79Å; I957-V1090 HydrophobicContact CG2-CG1 4.24Å
958Q85.8Confident94.8Very high114 Ų11452.2 Ų52.253%0.53325%0.249SC..SBendtrans-125.3-33172.1-59.7-61.8-38.300110.8A954 K955 D962 D1080A954-Q958 PolarHBondContact O-NE2 3.25Å; K955-Q958 PolarHBondContact O-NE2 3.03Å; Q958-D962 PolarHBondContact N-OD2 3.49Å; Q958-D1080 PolarHBondContact O-N 3.26Å; Q958-D1080 VanDerWaalsContact O-N 3.14Å
959S90.4Very high95.1Very high31 Ų3151.2 Ų51.222%0.21724%0.243CC..BIsolated β-bridgetrans-124158.2-177.9-170.70000111.2R961 D962S959-R961 PolarHBondContact O-N 3.34Å; S959-D962 PolarHBondContact N-OD2 3.28Å; S959-D962 WeakPolarHBondContact O-CB 3.32Å; S959-D962 PolarHBondContact O-N 2.89Å
960H89.2Confident95.3Very high68 Ų6853.1 Ų53.132%0.31525%0.25SS..G310 helixtrans-55.8-19.9169.666.4-85.3000113.1D962 L963 Y1079 D1080 P1082H960-D962 PolarHBondContact O-N 3.05Å; H960-L963 PolarHBondContact O-N 3.47Å; H960-Y1079 HydrophobicContact CB-CD2 3.64Å; H960-Y1079 HydrophobicContact CB-CE2 3.81Å; H960-D1080 PolarHBondContact ND1-O 3.45Å; H960-P1082 HydrophobicContact CB-CG 4.43Å
961R92.5Very high95.3Very high210 Ų21053.8 Ų53.879%0.79226%0.255SS*.G310 helixtrans-69.3-19.9176.1-61.9-177.7179.2-174.90.3113.8S959S959-R961 PolarHBondContact O-N 3.34Å
962D95.6Very high95.4Very high69 Ų6953.5 Ų53.537%0.36925%0.251SS..G310 helixtrans-85.9-1.4177.1-50.3-44.3000111.6Q958 S959 H960Q958-D962 PolarHBondContact N-OD2 3.49Å; S959-D962 PolarHBondContact N-OD2 3.28Å; S959-D962 WeakPolarHBondContact O-CB 3.32Å; S959-D962 PolarHBondContact O-N 2.89Å; H960-D962 PolarHBondContact O-N 3.05Å
963L97.1Very high95.3Very high25 Ų2551.1 Ų51.113%0.13124%0.239CC..  trans-109.7145-177.2-61.1172.7000111.7I957 H960 A998 A1000 Y1079 V1090I957-L963 HydrophobicContact CD1-CD2 3.87Å; I957-L963 HydrophobicContact CG1-CD2 4.08Å; I957-L963 HydrophobicContact CG2-CD1 4.42Å; I957-L963 HydrophobicContact CG2-CD2 3.95Å; I957-L963 HydrophobicContact CG2-CG 4.16Å; H960-L963 PolarHBondContact O-N 3.47Å; L963-A998 HydrophobicContact CD2-CB 4.03Å; L963-A998 WeakPolarHBondContact CD2-O 3.29Å; L963-A1000 HydrophobicContact CD1-CB 3.92Å; L963-Y1079 HydrophobicContact CD1-CD1 3.66Å; L963-Y1079 HydrophobicContact CD1-CD2 4.06Å; L963-Y1079 HydrophobicContact CD1-CE1 4.03Å; L963-Y1079 HydrophobicContact CD1-CE2 4.39Å; L963-Y1079 HydrophobicContact CD1-CG 3.67Å; L963-V1090 HydrophobicContact CD1-CG1 3.78Å; L963-V1090 HydrophobicContact CD2-CG1 3.95Å
964P97.3Very high95.2Very high73 Ų7351.7 Ų51.747%0.47424%0.243SC..SBendcis-77.8135.2-2.433.1-35000112.2R966 A998 F999P964-R966 HydrophobicContact CB-CG 4.01Å; P964-R966 HydrophobicContact CG-CG 4.42Å; P964-A998 CarbonylContact C-O 3.57Å; P964-A998 VanDerWaalsContact CA-O 3.23Å; P964-A998 WeakPolarHBondContact CA-O 3.47Å; P964-F999 HydrophobicContact CB-CD1 3.48Å; P964-F999 VanDerWaalsContact CB-CD1 3.48Å; P964-F999 HydrophobicContact CB-CE1 3.43Å; P964-F999 VanDerWaalsContact CB-CE1 3.43Å; P964-F999 HydrophobicContact CB-CG 4.16Å; P964-F999 HydrophobicContact CB-CZ 4.09Å; P964-F999 HydrophobicContact CG-CD1 4.34Å; P964-F999 HydrophobicContact CG-CE1 4.04Å
965L98.3Very high95Very high31 Ų3154.3 Ų54.316%0.16225%0.248CC..EExtended strand (participates in β ladder)trans-87.7122.8168.8175.967.2000107.9F953 W956 I957 I967 T997 A998F953-L965 HydrophobicContact CB-CD2 4.41Å; F953-L965 HydrophobicContact CD1-CD2 3.81Å; F953-L965 HydrophobicContact CD2-CD2 3.81Å; F953-L965 HydrophobicContact CE1-CD2 3.96Å; F953-L965 HydrophobicContact CE2-CD2 3.95Å; F953-L965 HydrophobicContact CG-CD2 3.75Å; F953-L965 HydrophobicContact CZ-CD2 4.03Å; W956-L965 HydrophobicContact CE3-CD1 4.4Å; W956-L965 HydrophobicContact CE3-CD2 3.95Å; I957-L965 HydrophobicContact CD1-CB 4.16Å; I957-L965 HydrophobicContact CD1-CD2 3.88Å; I957-L965 HydrophobicContact CG1-CB 4.33Å; I957-L965 HydrophobicContact CG1-CD2 4.06Å; L965-I967 HydrophobicContact CD1-CG2 4.37Å; L965-T997 CarbonylContact O-C 3.57Å; L965-T997 WeakPolarHBondContact O-CA 2.97Å; L965-A998 HydrophobicContact CB-CB 4.45Å; L965-A998 PolarHBondContact N-O 2.96Å; L965-A998 PolarHBondContact O-N 3.32Å
966R98.4Very high94.6Very high51 Ų5152.4 Ų52.419%0.19224%0.236CC..EExtended strand (participates in β ladder)trans-138.7112.2-174.5-5217169.8-167.10.4111.6M894 I896 E897 P964 T997 F999 E1008M894-R966 PolarHBondContact O-NH1 3.3Å; I896-R966 HydrophobicContact CG1-CB 3.99Å; E897-R966 PolarHBondContact N-O 3.45Å; P964-R966 HydrophobicContact CB-CG 4.01Å; P964-R966 HydrophobicContact CG-CG 4.42Å; R966-T997 HydrophobicContact CB-CG2 3.76Å; R966-T997 HydrophobicContact CG-CG2 3.93Å; R966-F999 HydrophobicContact CG-CZ 4.26Å; R966-E1008 IonicContact CZ-OE2 3.67Å; R966-E1008 IonicContact NE-OE2 3.61Å; R966-E1008 PolarHBondContact NE-OE2 2.96Å; R966-E1008 IonicContact NH2-OE2 2.62Å; R966-E1008 PolarHBondContact NH2-OE2 3.38Å
967I98.3Very high93.4Very high12 Ų1251.1 Ų51.16%0.06224%0.236CC..EExtended strand (participates in β ladder)trans-128.3150.2-176.559159.2000112.1E897 A899 F901 M949 F953 L965 G995 H996E897-I967 CarbonylContact O-C 3.5Å; E897-I967 WeakPolarHBondContact O-CA 3.46Å; A899-I967 HydrophobicContact CB-CB 4.48Å; F901-I967 HydrophobicContact CE2-CD1 3.51Å; F901-I967 HydrophobicContact CZ-CD1 3.85Å; M949-I967 HydrophobicContact CE-CD1 4.47Å; M949-I967 HydrophobicContact SD-CD1 3.96Å; F953-I967 HydrophobicContact CE1-CD1 3.44Å; F953-I967 VanDerWaalsContact CE1-CD1 3.44Å; F953-I967 HydrophobicContact CE1-CG1 4.07Å; F953-I967 HydrophobicContact CZ-CD1 3.47Å; F953-I967 VanDerWaalsContact CZ-CD1 3.47Å; F953-I967 HydrophobicContact CZ-CG1 3.62Å; L965-I967 HydrophobicContact CD1-CG2 4.37Å; I967-G995 CarbonylContact O-C 3.6Å; I967-G995 VanDerWaalsContact O-CA 3.28Å; I967-G995 WeakPolarHBondContact O-CA 3.44Å; I967-H996 HydrophobicContact CG1-CB 4.3Å; I967-H996 WeakPolarHBondContact CG1-O 3.48Å; I967-H996 PolarHBondContact N-O 3.08Å; I967-H996 PolarHBondContact O-N 2.93Å
968N98.5Very high92.1Very high1 Ų152.9 Ų52.91%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-120.6149.4171.617861.3000110.1L891 I896 E897 N898 A899 W970 Q993 E994 W1095L891-N968 HydrophobicContact CD1-CB 4.02Å; I896-N968 HydrophobicContact CG2-CB 3.86Å; E897-N968 PolarHBondContact O-N 3.17Å; N898-N968 CarbonylContact C-O 3.58Å; N898-N968 VanDerWaalsContact CA-O 3.29Å; N898-N968 WeakPolarHBondContact CA-O 3.45Å; N898-N968 WeakPolarHBondContact OD1-CB 3.3Å; N898-N968 PolarHBondContact OD1-ND2 2.63Å; A899-N968 PolarHBondContact N-O 2.83Å; N968-W970 PolarHBondContact ND2-NE1 2.67Å; N968-W970 VanDerWaalsContact ND2-NE1 3.18Å; N968-Q993 WeakPolarHBondContact OD1-CG 3.5Å; N968-Q993 PolarHBondContact OD1-NE2 3.42Å; N968-E994 CarbonylContact C-O 3.56Å; N968-E994 PolarHBondContact OD1-O 2.99Å; N968-W1095 HydrophobicContact CB-CH2 4.24Å
969Q98.1Very high91.2Very high0 Ų054.2 Ų54.20%025%0.247CC..EExtended strand (participates in β ladder)trans-136.4132.4175.3174.4172.6-71.800110.2S945 M949 S971 Q993 E994S945-Q969 PolarHBondContact OG-NE2 3.44Å; M949-Q969 HydrophobicContact CE-CB 3.92Å; M949-Q969 HydrophobicContact CE-CG 4.44Å; Q969-S971 PolarHBondContact NE2-OG 2.87Å; Q969-Q993 WeakPolarHBondContact O-CA 3.42Å; Q969-E994 HydrophobicContact CB-CG 4.08Å; Q969-E994 PolarHBondContact N-O 2.9Å; Q969-E994 PolarHBondContact NE2-OE1 3Å; Q969-E994 PolarHBondContact O-N 3.28Å
970W98Very high90.5Very high41 Ų4157.3 Ų57.316%0.15526%0.258CS..EExtended strand (participates in β ladder)trans-102.2123.7165.1-66.196.8000109.2W880 Q884 M887 D888 N968 Q993W880-W970 AromaticContact CE2-CZ3 3.95Å; W880-W970 AromaticContact CH2-CZ3 3.79Å; W880-W970 HydrophobicContact CH2-CZ3 3.79Å; W880-W970 AromaticContact CZ2-CE3 3.76Å; W880-W970 HydrophobicContact CZ2-CE3 3.76Å; W880-W970 AromaticContact CZ2-CZ3 3.41Å; W880-W970 HydrophobicContact CZ2-CZ3 3.41Å; W880-W970 VanDerWaalsContact CZ2-CZ3 3.41Å; Q884-W970 HydrophobicContact CB-CH2 4.14Å; Q884-W970 HydrophobicContact CB-CZ2 4.06Å; Q884-W970 HydrophobicContact CB-CZ3 4.41Å; Q884-W970 HydrophobicContact CG-CD2 3.92Å; Q884-W970 HydrophobicContact CG-CE3 3.62Å; Q884-W970 HydrophobicContact CG-CH2 3.66Å; Q884-W970 HydrophobicContact CG-CZ2 3.94Å; Q884-W970 HydrophobicContact CG-CZ3 3.46Å; Q884-W970 VanDerWaalsContact CG-CZ3 3.46Å; M887-W970 HydrophobicContact CB-CH2 4.24Å; M887-W970 HydrophobicContact CB-CZ2 3.83Å; M887-W970 HydrophobicContact CG-CH2 4.34Å; M887-W970 HydrophobicContact CG-CZ2 4.4Å; D888-W970 PolarHBondContact OD1-NE1 3.31Å; N968-W970 PolarHBondContact ND2-NE1 2.67Å; N968-W970 VanDerWaalsContact ND2-NE1 3.18Å; W970-Q993 HydrophobicContact CD2-CB 4.05Å; W970-Q993 HydrophobicContact CD2-CG 4.12Å; W970-Q993 HydrophobicContact CE3-CB 3.59Å; W970-Q993 HydrophobicContact CE3-CG 4.13Å; W970-Q993 HydrophobicContact CH2-CB 3.7Å; W970-Q993 HydrophobicContact CH2-CG 3.75Å; W970-Q993 HydrophobicContact CZ2-CB 4.14Å; W970-Q993 HydrophobicContact CZ2-CG 3.73Å; W970-Q993 HydrophobicContact CZ3-CB 3.43Å; W970-Q993 VanDerWaalsContact CZ3-CB 3.43Å; W970-Q993 HydrophobicContact CZ3-CG 3.98Å
971S95.6Very high90.3Very high15 Ų1555 Ų5511%0.10525%0.249CC..EExtended strand (participates in β ladder)trans-158.2179.8-179.482.20000114.4R942 Q969 L991 W992R942-S971 PolarHBondContact NH2-OG 3.49Å; R942-S971 VanDerWaalsContact NH2-OG 3.1Å; Q969-S971 PolarHBondContact NE2-OG 2.87Å; S971-L991 CarbonylContact O-C 3.44Å; S971-L991 WeakPolarHBondContact O-CA 3.48Å; S971-W992 PolarHBondContact N-O 3.33Å; S971-W992 PolarHBondContact O-N 3.12Å
972N94.5Very high90.1Very high40 Ų4048.4 Ų48.421%0.21423%0.227CC..EExtended strand (participates in β ladder)trans-101153164.663.8-33.1000110.9R942 E989 F990 L991R942-N972 PolarHBondContact NE-O 2.83Å; N972-E989 PolarHBondContact ND2-OE1 3.38Å; N972-F990 VanDerWaalsContact CA-O 3.32Å; N972-F990 WeakPolarHBondContact CA-O 3.16Å; N972-L991 HydrophobicContact CB-CD2 4.22Å
973V93.8Very high90Very high0 Ų045.2 Ų45.20%021%0.21CC..EExtended strand (participates in β ladder)trans-133.8162.5170.6-640000111.4R942 E989 F990 W992R942-V973 HydrophobicContact CG-CG1 4.14Å; R942-V973 WeakPolarHBondContact O-CB 3.42Å; V973-E989 WeakPolarHBondContact O-CA 3.32Å; V973-F990 HydrophobicContact CG2-CD1 4.37Å; V973-F990 HydrophobicContact CG2-CD2 3.93Å; V973-F990 HydrophobicContact CG2-CE1 3.87Å; V973-F990 HydrophobicContact CG2-CE2 3.36Å; V973-F990 HydrophobicContact CG2-CG 4.4Å; V973-F990 HydrophobicContact CG2-CZ 3.33Å; V973-F990 PolarHBondContact N-O 3.35Å; V973-F990 VanDerWaalsContact N-O 3.15Å; V973-F990 PolarHBondContact O-N 3.29Å; V973-W992 HydrophobicContact CB-CE3 3.8Å; V973-W992 HydrophobicContact CB-CZ3 4.19Å; V973-W992 HydrophobicContact CG1-CD2 4.35Å; V973-W992 HydrophobicContact CG1-CE3 3.24Å; V973-W992 HydrophobicContact CG1-CZ3 3.62Å; V973-W992 HydrophobicContact CG2-CB 4.44Å; V973-W992 HydrophobicContact CG2-CD2 4.36Å; V973-W992 HydrophobicContact CG2-CE3 3.37Å; V973-W992 HydrophobicContact CG2-CZ3 3.99Å
974V93.7Very high90Very high12 Ų1244.4 Ų44.47%0.07321%0.206CC..EExtended strand (participates in β ladder)trans-124.1121.3176.3177.80000110.4A925 I941 R942 W976 R988 E989A925-V974 HydrophobicContact CB-CG1 3.78Å; I941-V974 HydrophobicContact CB-CB 4.16Å; I941-V974 HydrophobicContact CB-CG2 4.36Å; I941-V974 HydrophobicContact CD1-CG2 4.39Å; I941-V974 HydrophobicContact CG2-CB 3.73Å; I941-V974 HydrophobicContact CG2-CG2 3.58Å; R942-V974 PolarHBondContact O-N 2.87Å; R942-V974 VanDerWaalsContact O-N 3.13Å; V974-W976 HydrophobicContact CG1-CE3 3.76Å; V974-W976 HydrophobicContact CG1-CZ3 4.24Å; V974-R988 CarbonylContact C-O 3.51Å; V974-R988 VanDerWaalsContact CA-O 3.23Å; V974-R988 WeakPolarHBondContact CA-O 3.42Å; V974-E989 HydrophobicContact CG2-CB 4.37Å; V974-E989 HydrophobicContact CG2-CG 4.46Å
975R90.6Very high89.7Confident78 Ų7841.6 Ų41.629%0.29419%0.187SC..  trans-122116.3172.7-62.2-172.8-173166.53.3109.6P943 E977 R988 F990P943-R975 HydrophobicContact CB-CG 4.18Å; P943-R975 PolarHBondContact O-NE 3.41Å; P943-R975 PolarHBondContact O-NH2 3.46Å; R975-E977 PolarHBondContact O-N 2.85Å; R975-R988 PolarHBondContact N-O 3.49Å; R975-R988 WeakPolarHBondContact O-CA 3.37Å; R975-F990 HydrophobicContact CG-CE1 4.32Å; R975-F990 HydrophobicContact CG-CZ 4.37Å
976W87Confident89.3Confident104 Ų10444.7 Ų44.739%0.39420%0.196SC..  trans-100.436.6-170.2-148-88.1000113.1I866 E923 A925 V974 R988I866-W976 HydrophobicContact CG2-CH2 4.12Å; E923-W976 WeakPolarHBondContact CB-O 3.38Å; E923-W976 WeakPolarHBondContact O-CA 3.21Å; E923-W976 VanDerWaalsContact O-CB 3.32Å; E923-W976 WeakPolarHBondContact O-CB 3.4Å; E923-W976 PolarHBondContact O-N 2.86Å; A925-W976 HydrophobicContact CB-CE3 4.08Å; V974-W976 HydrophobicContact CG1-CE3 3.76Å; V974-W976 HydrophobicContact CG1-CZ3 4.24Å; W976-R988 HydrophobicContact CE3-CB 4.31Å; W976-R988 HydrophobicContact CE3-CG 4.35Å; W976-R988 HydrophobicContact CZ3-CB 4.32Å
977E71.4Confident89Confident97 Ų9742.6 Ų42.645%0.45319%0.189SC..  trans-91.9-9.5-163.2-64.3167.9-161.400115.8E923 R975E923-E977 HydrophobicContact CB-CB 4.41Å; E923-E977 HydrophobicContact CB-CG 3.85Å; E923-E977 HydrophobicContact CG-CG 4.36Å; E923-E977 VanDerWaalsContact OE2-CA 3.28Å; E923-E977 WeakPolarHBondContact OE2-CA 3.43Å; R975-E977 PolarHBondContact O-N 2.85Å
978F70.9Confident88.7Confident39 Ų3943.5 Ų43.517%0.17119%0.192CC..  trans-138.4159.1-16845.3-94000114.2P981 R986 T987 R988F978-P981 HydrophobicContact CD2-CB 4.26Å; F978-P981 HydrophobicContact CE2-CB 3.91Å; F978-R986 HydrophobicContact CD1-CG 3.67Å; F978-R986 HydrophobicContact CD2-CG 4.25Å; F978-R986 HydrophobicContact CE1-CG 3.75Å; F978-R986 HydrophobicContact CE2-CG 4.33Å; F978-R986 HydrophobicContact CG-CG 3.97Å; F978-R986 HydrophobicContact CZ-CG 4.12Å; F978-T987 WeakPolarHBondContact CZ-O 3.32Å; F978-R988 HydrophobicContact CE2-CG 3.75Å; F978-R988 HydrophobicContact CZ-CG 4.02Å; F978-R988 PolarHBondContact O-NH2 3.13Å
979K66.8Low88.5Confident141 Ų14147 Ų4761%0.61321%0.208SC*.SBendtrans-93.8-29.1-178.1-62.9-176.1179.6-179.20113.7P981K979-P981 WeakPolarHBondContact O-CD 3.48Å
980H75.2Confident88.4Confident97 Ų9748.3 Ų48.345%0.44921%0.214SC..SBendtrans-121.384-174.1-61.3-61.2000110.9I631I631-H980 WeakPolarHBondContact CD1-CE1 3.1Å; I631-H980 WeakPolarHBondContact CD1-NE2 3.36Å
981P85Confident88.4Confident19 Ų1948.3 Ų48.312%0.12322%0.217CC..  trans-68137.9176.427.7-32.5000110.9G868 Y870 F978 K979 R986G868-P981 VanDerWaalsContact CA-CG 3.41Å; Y870-P981 WeakPolarHBondContact OH-CB 3.43Å; Y870-P981 PolarHBondContact OH-O 2.93Å; F978-P981 HydrophobicContact CD2-CB 4.26Å; F978-P981 HydrophobicContact CE2-CB 3.91Å; K979-P981 WeakPolarHBondContact O-CD 3.48Å; P981-R986 CarbonylContact C-O 3.58Å; P981-R986 WeakPolarHBondContact CA-O 2.97Å
982Q89.2Confident88.4Confident72 Ų7248.4 Ų48.434%0.33622%0.215SC..BIsolated β-bridgetrans-117.2117.9175.7-72.8-65.1-33.600108.3L985 R986 T987Q982-L985 HydrophobicContact CB-CB 4.16Å; Q982-L985 PolarHBondContact O-N 3.3Å; Q982-L985 VanDerWaalsContact O-N 3.08Å; Q982-R986 PolarHBondContact N-O 2.91Å; Q982-R986 CarbonylContact O-C 3.42Å; Q982-R986 PolarHBondContact O-N 3.43Å; Q982-T987 WeakPolarHBondContact O-CG2 3.4Å
983P93Very high88.5Confident1 Ų146.5 Ų46.51%0.00621%0.205CC..THydrogen-bonded Turntrans-54.1140.8-172.8-20.427.6000112.5Y851 I855 L861 Y863 Y870 L985Y851-P983 PolarHBondContact OH-O 3.36Å; I855-P983 HydrophobicContact CD1-CB 3.67Å; I855-P983 HydrophobicContact CD1-CG 3.63Å; L861-P983 HydrophobicContact CD1-CB 4.43Å; L861-P983 HydrophobicContact CD2-CB 3.51Å; L861-P983 HydrophobicContact CD2-CG 4.49Å; Y863-P983 HydrophobicContact CE1-CG 4.36Å; Y870-P983 HydrophobicContact CD1-CB 4.32Å; Y870-P983 HydrophobicContact CD1-CG 4.25Å; Y870-P983 HydrophobicContact CE1-CB 4.04Å; Y870-P983 HydrophobicContact CE1-CG 3.58Å; Y870-P983 HydrophobicContact CE2-CB 4.34Å; Y870-P983 HydrophobicContact CE2-CG 4.47Å; P983-L985 PolarHBondContact O-N 2.94Å
984F95.6Very high88.7Confident9 Ų946.6 Ų46.64%0.03921%0.205CC..THydrogen-bonded Turntrans59.9-33.8-168.9-57.2-66.9000115.8I855 L860 L861 L872 A876 R1100 L1102 I1106I855-F984 HydrophobicContact CG2-CD2 4.42Å; I855-F984 HydrophobicContact CG2-CE2 4.3Å; L860-F984 HydrophobicContact CB-CE2 4.25Å; L860-F984 HydrophobicContact CB-CZ 4.31Å; L860-F984 HydrophobicContact CD1-CE2 4.49Å; L861-F984 HydrophobicContact CD2-CD2 3.95Å; L861-F984 HydrophobicContact CD2-CE1 4.5Å; L861-F984 HydrophobicContact CD2-CE2 3.42Å; L861-F984 VanDerWaalsContact CD2-CE2 3.42Å; L861-F984 HydrophobicContact CD2-CZ 3.74Å; L861-F984 HydrophobicContact CG-CE2 4.37Å; L872-F984 HydrophobicContact CD2-CD1 4.36Å; L872-F984 HydrophobicContact CD2-CE1 3.35Å; L872-F984 HydrophobicContact CD2-CZ 3.66Å; A876-F984 HydrophobicContact CB-CE1 4.47Å; A876-F984 HydrophobicContact CB-CZ 3.96Å; F984-R1100 WeakPolarHBondContact O-CA 3.33Å; F984-R1100 WeakPolarHBondContact O-CB 3.38Å; F984-R1100 PolarHBondContact O-N 2.99Å; F984-L1102 HydrophobicContact CD1-CB 4.06Å; F984-L1102 HydrophobicContact CD1-CD1 4.28Å; F984-L1102 HydrophobicContact CE1-CB 4.23Å; F984-L1102 HydrophobicContact CE1-CD1 3.8Å; F984-L1102 HydrophobicContact CG-CB 4.45Å; F984-L1102 HydrophobicContact CZ-CD1 4.49Å; F984-I1106 HydrophobicContact CD2-CD1 4.11Å; F984-I1106 HydrophobicContact CE2-CD1 4.11Å
985L92.2Very high88.9Confident13 Ų1346 Ų467%0.06820%0.201CC..THydrogen-bonded Turntrans-83-52.9-172.7-52.6-177.3000112.5Y851 Q982 P983 I1059 R1100 M1107 Y1346Y851-L985 HydrophobicContact CE1-CD1 4.34Å; Y851-L985 HydrophobicContact CE1-CG 4.44Å; Q982-L985 HydrophobicContact CB-CB 4.16Å; Q982-L985 PolarHBondContact O-N 3.3Å; Q982-L985 VanDerWaalsContact O-N 3.08Å; P983-L985 PolarHBondContact O-N 2.94Å; L985-I1059 HydrophobicContact CD2-CD1 3.92Å; L985-R1100 VanDerWaalsContact O-CZ 3.23Å; L985-R1100 PolarHBondContact O-NE 3.35Å; L985-R1100 PolarHBondContact O-NH2 3.34Å; L985-M1107 HydrophobicContact CD1-CE 4.14Å; L985-M1107 HydrophobicContact CD1-SD 3.77Å; L985-M1107 HydrophobicContact CD2-CE 3.42Å; L985-M1107 VanDerWaalsContact CD2-CE 3.42Å; L985-M1107 HydrophobicContact CD2-SD 4.03Å; L985-M1107 HydrophobicContact CG-CE 4.44Å; L985-Y1346 HydrophobicContact CD1-CD1 3.98Å; L985-Y1346 HydrophobicContact CD1-CE1 3.71Å
986R89.5Confident89.3Confident96 Ų9642.3 Ų42.336%0.36219%0.187SC..BIsolated β-bridgetrans-148.295.4-177.6-175.9176.1-78143.23.5109.1F978 P981 Q982 Y1346F978-R986 HydrophobicContact CD1-CG 3.67Å; F978-R986 HydrophobicContact CD2-CG 4.25Å; F978-R986 HydrophobicContact CE1-CG 3.75Å; F978-R986 HydrophobicContact CE2-CG 4.33Å; F978-R986 HydrophobicContact CG-CG 3.97Å; F978-R986 HydrophobicContact CZ-CG 4.12Å; P981-R986 CarbonylContact C-O 3.58Å; P981-R986 WeakPolarHBondContact CA-O 2.97Å; Q982-R986 PolarHBondContact N-O 2.91Å; Q982-R986 CarbonylContact O-C 3.42Å; Q982-R986 PolarHBondContact O-N 3.43Å; R986-Y1346 PolarHBondContact NH1-OXT 3.14Å; R986-Y1346 PolarHBondContact NH2-O 3.03Å; R986-Y1346 PolarHBondContact NH2-OXT 2.5Å
987T91.7Very high89.8Confident8 Ų837.3 Ų37.35%0.04917%0.169CC..  trans-125.3155.7-173.865.90000110.4G868 Y870 F978 Q982 E989 F990G868-T987 WeakPolarHBondContact O-CB 3.42Å; Y870-T987 HydrophobicContact CD2-CG2 3.73Å; Y870-T987 HydrophobicContact CE2-CG2 3.31Å; F978-T987 WeakPolarHBondContact CZ-O 3.32Å; Q982-T987 WeakPolarHBondContact O-CG2 3.4Å; T987-E989 WeakPolarHBondContact CB-O 3.46Å; T987-E989 PolarHBondContact OG1-O 3.06Å; T987-F990 WeakPolarHBondContact O-CD1 3.39Å; T987-F990 WeakPolarHBondContact OG1-CB 3.38Å
988R92.4Very high91.1Very high31 Ų3132.7 Ų32.712%0.11715%0.147CC..SBendtrans-69.3-48.8-178.7-70.9-171.1174.6113.98.1110.3S867 G868 V974 R975 W976 F978S867-R988 VanDerWaalsContact C-NH1 3.35Å; S867-R988 VanDerWaalsContact CB-NH1 3.31Å; S867-R988 WeakPolarHBondContact O-CD 3.36Å; S867-R988 PolarHBondContact O-NH1 2.73Å; S867-R988 PolarHBondContact OG-NH1 3.3Å; G868-R988 PolarHBondContact O-N 2.76Å; V974-R988 CarbonylContact C-O 3.51Å; V974-R988 VanDerWaalsContact CA-O 3.23Å; V974-R988 WeakPolarHBondContact CA-O 3.42Å; R975-R988 PolarHBondContact N-O 3.49Å; R975-R988 WeakPolarHBondContact O-CA 3.37Å; W976-R988 HydrophobicContact CE3-CB 4.31Å; W976-R988 HydrophobicContact CE3-CG 4.35Å; W976-R988 HydrophobicContact CZ3-CB 4.32Å; F978-R988 HydrophobicContact CE2-CG 3.75Å; F978-R988 HydrophobicContact CZ-CG 4.02Å; F978-R988 PolarHBondContact O-NH2 3.13Å
989E94.8Very high92.4Very high75 Ų7531.5 Ų31.535%0.3514%0.142SC..EExtended strand (participates in β ladder)trans-106.9136.1171.4-176.3179.3-158.500109.7G868 N972 V973 V974 T987G868-E989 PolarHBondContact O-N 3.35Å; N972-E989 PolarHBondContact ND2-OE1 3.38Å; V973-E989 WeakPolarHBondContact O-CA 3.32Å; V974-E989 HydrophobicContact CG2-CB 4.37Å; V974-E989 HydrophobicContact CG2-CG 4.46Å; T987-E989 WeakPolarHBondContact CB-O 3.46Å; T987-E989 PolarHBondContact OG1-O 3.06Å
990F95.6Very high93.9Very high27 Ų2726 Ų2612%0.11812%0.122CC..EExtended strand (participates in β ladder)trans-152.8158.7172.750.2-84000111.6N972 V973 R975 T987 W992 T1098N972-F990 VanDerWaalsContact CA-O 3.32Å; N972-F990 WeakPolarHBondContact CA-O 3.16Å; V973-F990 HydrophobicContact CG2-CD1 4.37Å; V973-F990 HydrophobicContact CG2-CD2 3.93Å; V973-F990 HydrophobicContact CG2-CE1 3.87Å; V973-F990 HydrophobicContact CG2-CE2 3.36Å; V973-F990 HydrophobicContact CG2-CG 4.4Å; V973-F990 HydrophobicContact CG2-CZ 3.33Å; V973-F990 PolarHBondContact N-O 3.35Å; V973-F990 VanDerWaalsContact N-O 3.15Å; V973-F990 PolarHBondContact O-N 3.29Å; R975-F990 HydrophobicContact CG-CE1 4.32Å; R975-F990 HydrophobicContact CG-CZ 4.37Å; T987-F990 WeakPolarHBondContact O-CD1 3.39Å; T987-F990 WeakPolarHBondContact OG1-CB 3.38Å; F990-W992 HydrophobicContact CD2-CB 4.22Å; F990-W992 HydrophobicContact CE2-CB 4.2Å; F990-W992 HydrophobicContact CE2-CE3 4.37Å; F990-W992 HydrophobicContact CE2-CG 4.44Å; F990-T1098 HydrophobicContact CD2-CG2 3.86Å; F990-T1098 HydrophobicContact CE2-CG2 3.65Å
991L97.5Very high94.8Very high40 Ų4026 Ų2621%0.20912%0.123CC..EExtended strand (participates in β ladder)trans-82.3137.7172.1-41.6175.9000109.4L872 Y877 W880 S971 N972 T1098 T1099L872-L991 HydrophobicContact CD1-CD1 3.8Å; L872-L991 HydrophobicContact CD1-CG 4.34Å; Y877-L991 HydrophobicContact CD2-CD1 4.16Å; Y877-L991 HydrophobicContact CE2-CD1 3.7Å; W880-L991 HydrophobicContact CG-CD1 4.3Å; W880-L991 HydrophobicContact CZ2-CB 3.93Å; S971-L991 CarbonylContact O-C 3.44Å; S971-L991 WeakPolarHBondContact O-CA 3.48Å; N972-L991 HydrophobicContact CB-CD2 4.22Å; L991-T1098 WeakPolarHBondContact O-CA 3.5Å; L991-T1099 HydrophobicContact CB-CG2 3.67Å; L991-T1099 HydrophobicContact CD1-CG2 4.18Å; L991-T1099 HydrophobicContact CG-CG2 4.03Å; L991-T1099 PolarHBondContact O-N 3.35Å; L991-T1099 VanDerWaalsContact O-N 3.13Å
992W95.5Very high95.4Very high18 Ų1828.9 Ų28.97%0.06813%0.133CC..EExtended strand (participates in β ladder)trans-142.6134.7-170.4-177.510.9000109.9P943 T944 S971 V973 F990 E994 L1097 T1098P943-W992 VanDerWaalsContact O-CZ3 3.22Å; P943-W992 WeakPolarHBondContact O-CZ3 3.49Å; T944-W992 WeakPolarHBondContact OG1-CH2 3.31Å; S971-W992 PolarHBondContact N-O 3.33Å; S971-W992 PolarHBondContact O-N 3.12Å; V973-W992 HydrophobicContact CB-CE3 3.8Å; V973-W992 HydrophobicContact CB-CZ3 4.19Å; V973-W992 HydrophobicContact CG1-CD2 4.35Å; V973-W992 HydrophobicContact CG1-CE3 3.24Å; V973-W992 HydrophobicContact CG1-CZ3 3.62Å; V973-W992 HydrophobicContact CG2-CB 4.44Å; V973-W992 HydrophobicContact CG2-CD2 4.36Å; V973-W992 HydrophobicContact CG2-CE3 3.37Å; V973-W992 HydrophobicContact CG2-CZ3 3.99Å; F990-W992 HydrophobicContact CD2-CB 4.22Å; F990-W992 HydrophobicContact CE2-CB 4.2Å; F990-W992 HydrophobicContact CE2-CE3 4.37Å; F990-W992 HydrophobicContact CE2-CG 4.44Å; W992-E994 HydrophobicContact CZ2-CB 4.11Å; W992-L1097 VanDerWaalsContact CD1-O 3.26Å; W992-T1098 HydrophobicContact CB-CG2 4.18Å; W992-T1098 HydrophobicContact CG-CG2 3.91Å
993Q98Very high95.8Very high0 Ų028.6 Ų28.60%014%0.143CC..EExtended strand (participates in β ladder)trans-96.9125.9162.2-179.8-83.2-57.800110.2N968 Q969 W970 Y1016 G1096 L1097N968-Q993 WeakPolarHBondContact OD1-CG 3.5Å; N968-Q993 PolarHBondContact OD1-NE2 3.42Å; Q969-Q993 WeakPolarHBondContact O-CA 3.42Å; W970-Q993 HydrophobicContact CD2-CB 4.05Å; W970-Q993 HydrophobicContact CD2-CG 4.12Å; W970-Q993 HydrophobicContact CE3-CB 3.59Å; W970-Q993 HydrophobicContact CE3-CG 4.13Å; W970-Q993 HydrophobicContact CH2-CB 3.7Å; W970-Q993 HydrophobicContact CH2-CG 3.75Å; W970-Q993 HydrophobicContact CZ2-CB 4.14Å; W970-Q993 HydrophobicContact CZ2-CG 3.73Å; W970-Q993 HydrophobicContact CZ3-CB 3.43Å; W970-Q993 VanDerWaalsContact CZ3-CB 3.43Å; W970-Q993 HydrophobicContact CZ3-CG 3.98Å; Q993-Y1016 PolarHBondContact OE1-OH 2.88Å; Q993-G1096 CarbonylContact O-C 3.47Å; Q993-G1096 WeakPolarHBondContact O-CA 3.43Å; Q993-L1097 HydrophobicContact CB-CB 4.4Å; Q993-L1097 PolarHBondContact N-O 3.08Å; Q993-L1097 PolarHBondContact O-N 3.33Å
994E97.3Very high96Very high1 Ų132.8 Ų32.81%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-129.8138.5172.267.7-163.2145.700110.9S945 M949 N968 Q969 W992 H996 W1095S945-E994 VanDerWaalsContact CB-CD 3.46Å; S945-E994 VanDerWaalsContact CB-OE1 3.31Å; S945-E994 WeakPolarHBondContact CB-OE1 3.43Å; S945-E994 WeakPolarHBondContact CB-OE2 3.49Å; S945-E994 PolarHBondContact N-OE2 3.09Å; S945-E994 PolarHBondContact OG-OE1 3.2Å; S945-E994 PolarHBondContact OG-OE2 2.89Å; M949-E994 HydrophobicContact CE-CG 4.3Å; N968-E994 CarbonylContact C-O 3.56Å; N968-E994 PolarHBondContact OD1-O 2.99Å; Q969-E994 HydrophobicContact CB-CG 4.08Å; Q969-E994 PolarHBondContact N-O 2.9Å; Q969-E994 PolarHBondContact NE2-OE1 3Å; Q969-E994 PolarHBondContact O-N 3.28Å; W992-E994 HydrophobicContact CZ2-CB 4.11Å; E994-H996 IonicContact OE2-NE2 3.97Å; E994-W1095 CarbonylContact C-O 3.49Å; E994-W1095 VanDerWaalsContact CA-O 3.29Å; E994-W1095 WeakPolarHBondContact CA-O 3.39Å
995G98.3Very high96.1Very high0 Ų032.3 Ų32.30%016%0.163CC..EExtended strand (participates in β ladder)trans-121.7138.9175.700000110.9I967 S1094 W1095I967-G995 CarbonylContact O-C 3.6Å; I967-G995 VanDerWaalsContact O-CA 3.28Å; I967-G995 WeakPolarHBondContact O-CA 3.44Å; G995-S1094 CarbonylContact O-C 3.58Å; G995-S1094 VanDerWaalsContact O-CA 3.26Å; G995-S1094 WeakPolarHBondContact O-CA 3.47Å; G995-W1095 PolarHBondContact N-O 3.48Å; G995-W1095 PolarHBondContact O-N 2.75Å
996H98.2Very high96.4Very high0 Ų034.8 Ų34.80%017%0.174CC..EExtended strand (participates in β ladder)trans-134.4128.7-176.8-68.4-92.7000109.9E946 M949 Y950 F953 I967 E994 N1093 S1094E946-H996 IonicContact OE1-CE1 3.78Å; E946-H996 PolarHBondContact OE1-CE1 2.91Å; M949-H996 HydrophobicContact SD-CB 3.93Å; M949-H996 PolarHBondContact SD-CD2 2.95Å; M949-H996 VanDerWaalsContact SD-CG 3.57Å; Y950-H996 HydrophobicContact CE1-CB 4.26Å; Y950-H996 AromaticContact CE1-ND1 3.68Å; Y950-H996 AromaticContact CZ-ND1 3.55Å; Y950-H996 PolarHBondContact OH-ND1 2.83Å; F953-H996 HydrophobicContact CE2-CB 4.16Å; F953-H996 HydrophobicContact CZ-CB 3.86Å; I967-H996 HydrophobicContact CG1-CB 4.3Å; I967-H996 WeakPolarHBondContact CG1-O 3.48Å; I967-H996 PolarHBondContact N-O 3.08Å; I967-H996 PolarHBondContact O-N 2.93Å; E994-H996 IonicContact OE2-NE2 3.97Å; H996-N1093 WeakPolarHBondContact CA-O 3.4Å; H996-S1094 PolarHBondContact CE1-OG 2.99Å
997T98.5Very high96.8Very high0 Ų032.7 Ų32.70%018%0.178CC..EExtended strand (participates in β ladder)trans-138154.4-173.365.80000111.6L965 R966 F999 E1008 Q1092 N1093 W1095L965-T997 CarbonylContact O-C 3.57Å; L965-T997 WeakPolarHBondContact O-CA 2.97Å; R966-T997 HydrophobicContact CB-CG2 3.76Å; R966-T997 HydrophobicContact CG-CG2 3.93Å; T997-F999 WeakPolarHBondContact OG1-CE2 3.26Å; T997-E1008 VanDerWaalsContact CB-OE1 3.3Å; T997-E1008 WeakPolarHBondContact CB-OE1 3.33Å; T997-E1008 VanDerWaalsContact CG2-OE1 3.24Å; T997-E1008 WeakPolarHBondContact CG2-OE1 3.47Å; T997-E1008 WeakPolarHBondContact CG2-OE2 3.36Å; T997-E1008 PolarHBondContact OG1-OE1 3.42Å; T997-Q1092 WeakPolarHBondContact O-CA 3.25Å; T997-N1093 PolarHBondContact N-O 3.34Å; T997-N1093 VanDerWaalsContact N-O 3.11Å; T997-N1093 PolarHBondContact O-N 2.82Å; T997-N1093 VanDerWaalsContact O-N 3.07Å; T997-N1093 WeakPolarHBondContact OG1-CB 3.38Å; T997-W1095 HydrophobicContact CG2-CZ2 4.47Å
998A98.6Very high97.1Very high0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-136.7132178.700000110.3F953 I957 L963 P964 L965 V1090 Y1091 Q1092F953-A998 HydrophobicContact CD2-CB 4.42Å; I957-A998 HydrophobicContact CD1-CB 3.69Å; L963-A998 HydrophobicContact CD2-CB 4.03Å; L963-A998 WeakPolarHBondContact CD2-O 3.29Å; P964-A998 CarbonylContact C-O 3.57Å; P964-A998 VanDerWaalsContact CA-O 3.23Å; P964-A998 WeakPolarHBondContact CA-O 3.47Å; L965-A998 HydrophobicContact CB-CB 4.45Å; L965-A998 PolarHBondContact N-O 2.96Å; L965-A998 PolarHBondContact O-N 3.32Å; A998-V1090 HydrophobicContact CB-CB 4.11Å; A998-V1090 HydrophobicContact CB-CG2 3.88Å; A998-Y1091 CarbonylContact C-O 3.47Å; A998-Y1091 WeakPolarHBondContact CA-O 3.35Å; A998-Q1092 HydrophobicContact CB-CG 4.4Å
999F98.4Very high97.4Very high14 Ų1431.2 Ų31.26%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-127.4152.9-177.3-66.2-96.2000111.1P964 R966 T997 D1004 A1005 E1008 V1090 Y1091P964-F999 HydrophobicContact CB-CD1 3.48Å; P964-F999 VanDerWaalsContact CB-CD1 3.48Å; P964-F999 HydrophobicContact CB-CE1 3.43Å; P964-F999 VanDerWaalsContact CB-CE1 3.43Å; P964-F999 HydrophobicContact CB-CG 4.16Å; P964-F999 HydrophobicContact CB-CZ 4.09Å; P964-F999 HydrophobicContact CG-CD1 4.34Å; P964-F999 HydrophobicContact CG-CE1 4.04Å; R966-F999 HydrophobicContact CG-CZ 4.26Å; T997-F999 WeakPolarHBondContact OG1-CE2 3.26Å; F999-D1004 HydrophobicContact CD1-CB 3.64Å; F999-D1004 HydrophobicContact CE1-CB 4.2Å; F999-D1004 HydrophobicContact CG-CB 4.3Å; F999-A1005 HydrophobicContact CB-CB 4.11Å; F999-A1005 HydrophobicContact CD2-CB 3.74Å; F999-A1005 HydrophobicContact CE2-CB 4.47Å; F999-A1005 HydrophobicContact CG-CB 4.08Å; F999-E1008 HydrophobicContact CE2-CB 4.32Å; F999-E1008 WeakPolarHBondContact CE2-OE1 3.21Å; F999-E1008 HydrophobicContact CZ-CB 4.08Å; F999-E1008 HydrophobicContact CZ-CG 4.47Å; F999-V1090 CarbonylContact O-C 3.58Å; F999-V1090 WeakPolarHBondContact O-CA 3.48Å; F999-Y1091 PolarHBondContact N-O 3Å; F999-Y1091 PolarHBondContact O-N 2.82Å
1000A96.5Very high97.6Very high24 Ų2432 Ų3220%0.19817%0.172CC..SBendtrans-70.7-41.6171.900000111.4L963 Y1079 Y1091L963-A1000 HydrophobicContact CD1-CB 3.92Å; A1000-Y1079 HydrophobicContact CB-CE1 4.28Å; A1000-Y1079 HydrophobicContact CB-CE2 4.14Å; A1000-Y1079 WeakPolarHBondContact CB-OH 3.27Å; A1000-Y1079 PolarHBondContact O-OH 2.83Å; A1000-Y1091 WeakPolarHBondContact O-CD2 3.38Å
1001E94.7Very high97.7Very high99 Ų9934.2 Ų34.246%0.46319%0.187SC..SBendtrans-110.3142-173-63.6-59.3150.600112.5A1003 D1004 A1005E1001-A1003 PolarHBondContact O-N 3.48Å; E1001-D1004 PolarHBondContact O-N 3.38Å; E1001-A1005 PolarHBondContact O-N 3.17Å
1002K97.5Very high97.8Very high78 Ų7832.3 Ų32.334%0.33918%0.177SC..Hα-helixtrans-62.4-43179.6-176.4173171.1171.60112.4D1004 A1005 E1006 Y1091K1002-D1004 VanDerWaalsContact C-N 3.29Å; K1002-D1004 PolarHBondContact O-N 3.35Å; K1002-A1005 PolarHBondContact O-N 3.32Å; K1002-E1006 WeakPolarHBondContact CE-OE1 3.31Å; K1002-E1006 HydrophobicContact CG-CG 4.13Å; K1002-E1006 IonicContact NZ-OE1 3.78Å; K1002-E1006 WeakPolarHBondContact O-CG 3.15Å; K1002-E1006 PolarHBondContact O-N 3.31Å; K1002-Y1091 HydrophobicContact CB-CD1 3.8Å; K1002-Y1091 HydrophobicContact CB-CD2 4.14Å; K1002-Y1091 HydrophobicContact CB-CE1 3.64Å; K1002-Y1091 HydrophobicContact CB-CE2 3.97Å; K1002-Y1091 HydrophobicContact CB-CG 4.06Å; K1002-Y1091 HydrophobicContact CD-CD1 4.41Å; K1002-Y1091 HydrophobicContact CD-CE1 3.94Å; K1002-Y1091 HydrophobicContact CG-CD1 3.92Å; K1002-Y1091 HydrophobicContact CG-CE1 3.87Å
1003A97.6Very high97.9Very high66 Ų6631.5 Ų31.555%0.54517%0.174SC..Hα-helixtrans-61.1-38.7-175.500000112.1E1001 E1006 A1007E1001-A1003 PolarHBondContact O-N 3.48Å; A1003-E1006 PolarHBondContact O-N 3.09Å; A1003-A1007 WeakPolarHBondContact O-CB 3.29Å; A1003-A1007 PolarHBondContact O-N 2.8Å
1004D97.5Very high98Very high89 Ų8934.8 Ų34.848%0.47619%0.191SC..Hα-helixtrans-67.9-41.7177.9-61.9-28.1000111.4F999 E1001 K1002 A1007 E1008F999-D1004 HydrophobicContact CD1-CB 3.64Å; F999-D1004 HydrophobicContact CE1-CB 4.2Å; F999-D1004 HydrophobicContact CG-CB 4.3Å; E1001-D1004 PolarHBondContact O-N 3.38Å; K1002-D1004 VanDerWaalsContact C-N 3.29Å; K1002-D1004 PolarHBondContact O-N 3.35Å; D1004-A1007 PolarHBondContact O-N 2.94Å; D1004-E1008 PolarHBondContact O-N 3.26Å; D1004-E1008 VanDerWaalsContact O-N 3.11Å
1005A98.3Very high98Very high0 Ų034.9 Ų34.90%019%0.192CC..Hα-helixtrans-62.7-45.8174.100000111.7F999 E1001 K1002 A1007 E1008 V1009 N1093F999-A1005 HydrophobicContact CB-CB 4.11Å; F999-A1005 HydrophobicContact CD2-CB 3.74Å; F999-A1005 HydrophobicContact CE2-CB 4.47Å; F999-A1005 HydrophobicContact CG-CB 4.08Å; E1001-A1005 PolarHBondContact O-N 3.17Å; K1002-A1005 PolarHBondContact O-N 3.32Å; A1005-A1007 VanDerWaalsContact C-N 3.31Å; A1005-A1007 PolarHBondContact O-N 2.81Å; A1005-E1008 PolarHBondContact O-N 2.95Å; A1005-V1009 PolarHBondContact O-N 3.19Å; A1005-N1093 PolarHBondContact O-ND2 3.38Å; A1005-N1093 PolarHBondContact O-OD1 3Å
1006E98.3Very high98Very high64 Ų6434.9 Ų34.930%0.29919%0.192SC..Hα-helixtrans-64.8-35.1178.2-69.4-173.6140.200112.4K1002 A1003 V1009 Y1044K1002-E1006 WeakPolarHBondContact CE-OE1 3.31Å; K1002-E1006 HydrophobicContact CG-CG 4.13Å; K1002-E1006 IonicContact NZ-OE1 3.78Å; K1002-E1006 WeakPolarHBondContact O-CG 3.15Å; K1002-E1006 PolarHBondContact O-N 3.31Å; A1003-E1006 PolarHBondContact O-N 3.09Å; E1006-V1009 PolarHBondContact O-N 3.31Å; E1006-Y1044 WeakPolarHBondContact CB-OH 3.46Å; E1006-Y1044 HydrophobicContact CG-CE1 4.19Å; E1006-Y1044 WeakPolarHBondContact CG-OH 3.45Å
1007A98.2Very high98.1Very high53 Ų5335 Ų3544%0.43819%0.193SC..Hα-helixtrans-63.4-45.1175.100000111.6A1003 D1004 A1005 V1009 R1010 V1011A1003-A1007 WeakPolarHBondContact O-CB 3.29Å; A1003-A1007 PolarHBondContact O-N 2.8Å; D1004-A1007 PolarHBondContact O-N 2.94Å; A1005-A1007 VanDerWaalsContact C-N 3.31Å; A1005-A1007 PolarHBondContact O-N 2.81Å; A1007-V1009 VanDerWaalsContact C-N 3.31Å; A1007-V1009 PolarHBondContact O-N 3.25Å; A1007-R1010 WeakPolarHBondContact O-CB 3.37Å; A1007-R1010 PolarHBondContact O-N 3.39Å; A1007-R1010 VanDerWaalsContact O-N 3.14Å; A1007-V1011 PolarHBondContact O-N 3.34Å
1008E98.5Very high98.1Very high8 Ų838.5 Ų38.54%0.03721%0.209CC..Hα-helixtrans-60.5-39.5177.6-179.6-176.871.500112.5R966 T997 F999 D1004 A1005 R1010 V1011 I1012 N1093R966-E1008 IonicContact CZ-OE2 3.67Å; R966-E1008 IonicContact NE-OE2 3.61Å; R966-E1008 PolarHBondContact NE-OE2 2.96Å; R966-E1008 IonicContact NH2-OE2 2.62Å; R966-E1008 PolarHBondContact NH2-OE2 3.38Å; T997-E1008 VanDerWaalsContact CB-OE1 3.3Å; T997-E1008 WeakPolarHBondContact CB-OE1 3.33Å; T997-E1008 VanDerWaalsContact CG2-OE1 3.24Å; T997-E1008 WeakPolarHBondContact CG2-OE1 3.47Å; T997-E1008 WeakPolarHBondContact CG2-OE2 3.36Å; T997-E1008 PolarHBondContact OG1-OE1 3.42Å; F999-E1008 HydrophobicContact CE2-CB 4.32Å; F999-E1008 WeakPolarHBondContact CE2-OE1 3.21Å; F999-E1008 HydrophobicContact CZ-CB 4.08Å; F999-E1008 HydrophobicContact CZ-CG 4.47Å; D1004-E1008 PolarHBondContact O-N 3.26Å; D1004-E1008 VanDerWaalsContact O-N 3.11Å; A1005-E1008 PolarHBondContact O-N 2.95Å; E1008-R1010 PolarHBondContact O-N 3.28Å; E1008-R1010 VanDerWaalsContact O-N 3.15Å; E1008-V1011 PolarHBondContact O-N 3.22Å; E1008-I1012 HydrophobicContact CG-CG1 3.94Å; E1008-I1012 WeakPolarHBondContact O-CG1 3.3Å; E1008-I1012 PolarHBondContact O-N 2.83Å; E1008-N1093 PolarHBondContact OE1-ND2 2.95Å
1009V98.6Very high98.1Very high0 Ų038.5 Ų38.50%021%0.209CC..Hα-helixtrans-55.5-36178.21710000111.5A1005 E1006 A1007 L1013 Y1044 T1046 S1064 H1066 N1093A1005-V1009 PolarHBondContact O-N 3.19Å; E1006-V1009 PolarHBondContact O-N 3.31Å; A1007-V1009 VanDerWaalsContact C-N 3.31Å; A1007-V1009 PolarHBondContact O-N 3.25Å; V1009-L1013 WeakPolarHBondContact O-CB 3.34Å; V1009-L1013 PolarHBondContact O-N 3.01Å; V1009-L1013 VanDerWaalsContact O-N 3.1Å; V1009-Y1044 HydrophobicContact CG1-CE2 3.84Å; V1009-T1046 HydrophobicContact CG1-CG2 4.05Å; V1009-T1046 WeakPolarHBondContact CG1-OG1 3.25Å; V1009-S1064 PolarHBondContact O-OG 3.13Å; V1009-H1066 HydrophobicContact CG2-CB 4.07Å; V1009-N1093 HydrophobicContact CG2-CB 4.18Å; V1009-N1093 WeakPolarHBondContact CG2-OD1 3.34Å
1010R97.8Very high98.1Very high92 Ų9237.8 Ų37.835%0.34721%0.206SC..Hα-helixtrans-71.7-45.6175.5-59.8-57.8-174.9173.11.7112.4A1007 E1008 I1012 L1013 D1014A1007-R1010 WeakPolarHBondContact O-CB 3.37Å; A1007-R1010 PolarHBondContact O-N 3.39Å; A1007-R1010 VanDerWaalsContact O-N 3.14Å; E1008-R1010 PolarHBondContact O-N 3.28Å; E1008-R1010 VanDerWaalsContact O-N 3.15Å; R1010-I1012 VanDerWaalsContact C-N 3.31Å; R1010-I1012 PolarHBondContact O-N 3.4Å; R1010-L1013 WeakPolarHBondContact O-CB 3.47Å; R1010-L1013 PolarHBondContact O-N 3.12Å; R1010-D1014 PolarHBondContact O-N 2.91Å
1011V98.4Very high98.2Very high72 Ų7239.9 Ų39.944%0.43621%0.212SC..Hα-helixtrans-60.8-42.5178.8-179.70000111M894 A1007 E1008 D1014 L1015M894-V1011 HydrophobicContact CE-CB 4.19Å; M894-V1011 HydrophobicContact CE-CG1 3.4Å; M894-V1011 HydrophobicContact SD-CG1 4.01Å; A1007-V1011 PolarHBondContact O-N 3.34Å; E1008-V1011 PolarHBondContact O-N 3.22Å; V1011-D1014 PolarHBondContact O-N 3.4Å; V1011-L1015 PolarHBondContact O-N 2.77Å
1012I98.7Very high98.4Very high0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-68.1-38.9177-65.1-66.3000111.8L891 M894 I896 E1008 R1010 D1014 L1015 Y1016 W1095L891-I1012 HydrophobicContact CD2-CD1 4Å; M894-I1012 HydrophobicContact CE-CD1 3.68Å; M894-I1012 HydrophobicContact CE-CG1 4.35Å; M894-I1012 HydrophobicContact SD-CD1 4.47Å; I896-I1012 HydrophobicContact CD1-CD1 4.14Å; E1008-I1012 HydrophobicContact CG-CG1 3.94Å; E1008-I1012 WeakPolarHBondContact O-CG1 3.3Å; E1008-I1012 PolarHBondContact O-N 2.83Å; R1010-I1012 VanDerWaalsContact C-N 3.31Å; R1010-I1012 PolarHBondContact O-N 3.4Å; I1012-D1014 VanDerWaalsContact C-N 3.28Å; I1012-D1014 PolarHBondContact O-N 2.89Å; I1012-L1015 HydrophobicContact CD1-CD2 4.49Å; I1012-L1015 PolarHBondContact O-N 3.31Å; I1012-Y1016 HydrophobicContact CG2-CD2 3.93Å; I1012-Y1016 HydrophobicContact CG2-CE2 3.56Å; I1012-Y1016 WeakPolarHBondContact O-CD2 3.34Å; I1012-Y1016 PolarHBondContact O-N 3.17Å; I1012-W1095 HydrophobicContact CB-CD2 4.49Å; I1012-W1095 HydrophobicContact CB-CG 4.38Å; I1012-W1095 HydrophobicContact CD1-CD2 4.01Å; I1012-W1095 HydrophobicContact CD1-CE3 4.2Å; I1012-W1095 HydrophobicContact CD1-CH2 3.99Å; I1012-W1095 HydrophobicContact CD1-CZ2 3.76Å; I1012-W1095 HydrophobicContact CD1-CZ3 4.16Å; I1012-W1095 HydrophobicContact CG1-CD2 4.08Å; I1012-W1095 HydrophobicContact CG1-CG 4.24Å; I1012-W1095 HydrophobicContact CG1-CZ2 4.39Å; I1012-W1095 HydrophobicContact CG2-CB 3.71Å; I1012-W1095 HydrophobicContact CG2-CD2 3.7Å; I1012-W1095 HydrophobicContact CG2-CE3 3.9Å; I1012-W1095 HydrophobicContact CG2-CG 3.61Å
1013L98.7Very high98.4Very high2 Ų237.7 Ų37.71%0.0120%0.199CC..Hα-helixtrans-58.9-42.8173.818071.3000111.5V1009 R1010 Y1016 A1017 K1030 T1046 V1048 F1307V1009-L1013 WeakPolarHBondContact O-CB 3.34Å; V1009-L1013 PolarHBondContact O-N 3.01Å; V1009-L1013 VanDerWaalsContact O-N 3.1Å; R1010-L1013 WeakPolarHBondContact O-CB 3.47Å; R1010-L1013 PolarHBondContact O-N 3.12Å; L1013-Y1016 PolarHBondContact O-N 3.13Å; L1013-A1017 PolarHBondContact O-N 3.17Å; L1013-K1030 HydrophobicContact CD2-CB 4.18Å; L1013-K1030 HydrophobicContact CD2-CD 4.3Å; L1013-K1030 HydrophobicContact CD2-CG 4.4Å; L1013-K1030 HydrophobicContact CG-CD 4.24Å; L1013-K1030 HydrophobicContact CG-CG 4.36Å; L1013-T1046 HydrophobicContact CD2-CG2 4.44Å; L1013-V1048 HydrophobicContact CD1-CG1 3.84Å; L1013-F1307 HydrophobicContact CD2-CD2 4.18Å; L1013-F1307 HydrophobicContact CD2-CE2 3.68Å
1014D98.6Very high98.5Very high68 Ų6834.6 Ų34.636%0.36417%0.173SC..Hα-helixtrans-67.5-39.3177.4-71.1-27.8000111.6R1010 V1011 I1012 Y1016 A1017 E1018 K1030R1010-D1014 PolarHBondContact O-N 2.91Å; V1011-D1014 PolarHBondContact O-N 3.4Å; I1012-D1014 VanDerWaalsContact C-N 3.28Å; I1012-D1014 PolarHBondContact O-N 2.89Å; D1014-Y1016 VanDerWaalsContact C-N 3.33Å; D1014-Y1016 PolarHBondContact O-N 2.67Å; D1014-A1017 CarbonylContact O-C 3.54Å; D1014-A1017 WeakPolarHBondContact O-CB 3.47Å; D1014-A1017 PolarHBondContact O-N 2.77Å; D1014-A1017 VanDerWaalsContact O-N 3.14Å; D1014-E1018 PolarHBondContact O-N 2.83Å; D1014-K1030 IonicContact OD1-NZ 3.6Å; D1014-K1030 PolarHBondContact OD1-NZ 3.18Å
1015L98.7Very high98.6Very high4 Ų430.3 Ų30.32%0.02115%0.15CC..Hα-helixtrans-59.3-43.4172.4175.557.7000111.9F886 M887 K890 L891 M894 V1011 I1012 A1017 E1018 V1019F886-L1015 HydrophobicContact CE1-CD1 4.19Å; M887-L1015 HydrophobicContact CE-CD2 3.69Å; M887-L1015 HydrophobicContact CE-CG 4.1Å; M887-L1015 HydrophobicContact SD-CD1 3.99Å; M887-L1015 HydrophobicContact SD-CD2 3.8Å; M887-L1015 HydrophobicContact SD-CG 3.63Å; K890-L1015 HydrophobicContact CB-CD1 3.52Å; K890-L1015 HydrophobicContact CB-CD2 4.16Å; K890-L1015 HydrophobicContact CD-CD1 4.4Å; K890-L1015 HydrophobicContact CG-CD1 3.68Å; L891-L1015 HydrophobicContact CD2-CD2 3.76Å; L891-L1015 HydrophobicContact CG-CD2 4.13Å; M894-L1015 HydrophobicContact SD-CD2 4.38Å; V1011-L1015 PolarHBondContact O-N 2.77Å; I1012-L1015 HydrophobicContact CD1-CD2 4.49Å; I1012-L1015 PolarHBondContact O-N 3.31Å; L1015-A1017 VanDerWaalsContact C-N 3.34Å; L1015-A1017 PolarHBondContact O-N 2.7Å; L1015-E1018 WeakPolarHBondContact O-CB 3.28Å; L1015-E1018 PolarHBondContact O-N 3.4Å; L1015-V1019 PolarHBondContact O-N 3.19Å
1016Y98.8Very high98.6Very high0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-65.1-37.6174.6-70.5-36.1000112.8M887 Q993 I1012 L1013 D1014 E1018 V1019 Y1020 A1062 W1095 G1096 L1097M887-Y1016 HydrophobicContact CE-CD1 4.08Å; M887-Y1016 HydrophobicContact CE-CE1 3.58Å; M887-Y1016 HydrophobicContact SD-CD1 4.25Å; M887-Y1016 HydrophobicContact SD-CE1 4.31Å; Q993-Y1016 PolarHBondContact OE1-OH 2.88Å; I1012-Y1016 HydrophobicContact CG2-CD2 3.93Å; I1012-Y1016 HydrophobicContact CG2-CE2 3.56Å; I1012-Y1016 WeakPolarHBondContact O-CD2 3.34Å; I1012-Y1016 PolarHBondContact O-N 3.17Å; L1013-Y1016 PolarHBondContact O-N 3.13Å; D1014-Y1016 VanDerWaalsContact C-N 3.33Å; D1014-Y1016 PolarHBondContact O-N 2.67Å; Y1016-E1018 VanDerWaalsContact C-N 3.34Å; Y1016-V1019 WeakPolarHBondContact O-CB 3.46Å; Y1016-V1019 PolarHBondContact O-N 3.27Å; Y1016-Y1020 WeakPolarHBondContact O-CD2 3.32Å; Y1016-Y1020 PolarHBondContact O-N 3.18Å; Y1016-A1062 HydrophobicContact CD1-CB 3.95Å; Y1016-A1062 HydrophobicContact CD2-CB 3.45Å; Y1016-A1062 VanDerWaalsContact CD2-CB 3.45Å; Y1016-A1062 HydrophobicContact CE1-CB 4.3Å; Y1016-A1062 HydrophobicContact CE2-CB 3.82Å; Y1016-A1062 HydrophobicContact CG-CB 3.5Å; Y1016-W1095 HydrophobicContact CE2-CB 4.15Å; Y1016-G1096 WeakPolarHBondContact OH-CA 3.36Å; Y1016-G1096 PolarHBondContact OH-N 3.42Å; Y1016-L1097 HydrophobicContact CD1-CB 4.27Å; Y1016-L1097 HydrophobicContact CD1-CD1 4.26Å; Y1016-L1097 HydrophobicContact CE1-CB 3.63Å; Y1016-L1097 HydrophobicContact CE1-CD1 4.45Å; Y1016-L1097 HydrophobicContact CE1-CD2 4.43Å; Y1016-L1097 HydrophobicContact CE1-CG 4.4Å
1017A98.7Very high98.6Very high3 Ų327.8 Ų27.83%0.02514%0.139CC..Hα-helixtrans-62.2-42.2171.600000111.4L1013 D1014 L1015 V1019 Y1020 E1021 V1028 K1030 V1048L1013-A1017 PolarHBondContact O-N 3.17Å; D1014-A1017 CarbonylContact O-C 3.54Å; D1014-A1017 WeakPolarHBondContact O-CB 3.47Å; D1014-A1017 PolarHBondContact O-N 2.77Å; D1014-A1017 VanDerWaalsContact O-N 3.14Å; L1015-A1017 VanDerWaalsContact C-N 3.34Å; L1015-A1017 PolarHBondContact O-N 2.7Å; A1017-V1019 VanDerWaalsContact C-N 3.32Å; A1017-V1019 PolarHBondContact O-N 2.84Å; A1017-Y1020 PolarHBondContact O-N 3.05Å; A1017-Y1020 VanDerWaalsContact O-N 3.11Å; A1017-E1021 WeakPolarHBondContact O-CB 3.18Å; A1017-E1021 WeakPolarHBondContact O-CG 3.42Å; A1017-E1021 PolarHBondContact O-N 2.75Å; A1017-V1028 HydrophobicContact CB-CG2 3.74Å; A1017-K1030 HydrophobicContact CB-CD 3.86Å; A1017-K1030 HydrophobicContact CB-CG 4.24Å; A1017-V1048 HydrophobicContact CB-CG1 4.27Å
1018E98.6Very high98.6Very high72 Ų7225.8 Ų25.834%0.33612%0.122SC..Hα-helixtrans-59.2-39.7174.3-74.4-178.8-125.300112.2F886 K890 D1014 L1015 Y1016 Y1020 Y1022 L1023F886-E1018 HydrophobicContact CE1-CB 4.2Å; F886-E1018 HydrophobicContact CZ-CB 4.07Å; K890-E1018 IonicContact NZ-OE2 3.95Å; K890-E1018 PolarHBondContact NZ-OE2 2.88Å; D1014-E1018 PolarHBondContact O-N 2.83Å; L1015-E1018 WeakPolarHBondContact O-CB 3.28Å; L1015-E1018 PolarHBondContact O-N 3.4Å; Y1016-E1018 VanDerWaalsContact C-N 3.34Å; E1018-Y1020 VanDerWaalsContact C-N 3.33Å; E1018-Y1020 PolarHBondContact O-N 3.26Å; E1018-Y1022 WeakPolarHBondContact O-CA 3.49Å; E1018-Y1022 WeakPolarHBondContact O-CB 3.39Å; E1018-Y1022 PolarHBondContact O-N 2.81Å; E1018-L1023 PolarHBondContact O-N 3.41Å
1019V98.8Very high98.6Very high0 Ų025.5 Ų25.50%012%0.121CC..Iπ-helixtrans-55.8-49.9173.4172.70000110.3I883 F886 M887 L1015 Y1016 A1017 L1023 L1024 T1101I883-V1019 HydrophobicContact CG2-CG1 4.13Å; F886-V1019 HydrophobicContact CD1-CG2 3.78Å; F886-V1019 HydrophobicContact CE1-CG2 3.85Å; M887-V1019 HydrophobicContact CG-CG2 3.93Å; M887-V1019 HydrophobicContact SD-CG2 3.44Å; M887-V1019 WeakPolarHBondContact SD-CG2 3.42Å; L1015-V1019 PolarHBondContact O-N 3.19Å; Y1016-V1019 WeakPolarHBondContact O-CB 3.46Å; Y1016-V1019 PolarHBondContact O-N 3.27Å; A1017-V1019 VanDerWaalsContact C-N 3.32Å; A1017-V1019 PolarHBondContact O-N 2.84Å; V1019-L1023 VanDerWaalsContact O-CB 3.3Å; V1019-L1023 WeakPolarHBondContact O-CB 3.43Å; V1019-L1023 PolarHBondContact O-N 3.04Å; V1019-L1024 HydrophobicContact CG1-CD1 4.14Å; V1019-L1024 VanDerWaalsContact O-CG 3.28Å; V1019-L1024 WeakPolarHBondContact O-CG 3.47Å; V1019-L1024 PolarHBondContact O-N 3.48Å; V1019-L1024 VanDerWaalsContact O-N 3.14Å; V1019-T1101 HydrophobicContact CG1-CG2 4.37Å
1020Y98.9Very high98.6Very high0 Ų029 Ų290%014%0.135CC..Iπ-helixtrans-70.9-50.1-178.5-78.4-79000112.7Y1016 A1017 E1018 L1024 A1025 V1026 V1028 V1048 I1050 G1061 L1097 T1101 V1104Y1016-Y1020 WeakPolarHBondContact O-CD2 3.32Å; Y1016-Y1020 PolarHBondContact O-N 3.18Å; A1017-Y1020 PolarHBondContact O-N 3.05Å; A1017-Y1020 VanDerWaalsContact O-N 3.11Å; E1018-Y1020 VanDerWaalsContact C-N 3.33Å; E1018-Y1020 PolarHBondContact O-N 3.26Å; Y1020-L1024 HydrophobicContact CD1-CD1 4.13Å; Y1020-L1024 HydrophobicContact CE1-CD1 4.4Å; Y1020-L1024 CarbonylContact O-C 3.42Å; Y1020-L1024 WeakPolarHBondContact O-CA 3.35Å; Y1020-L1024 VanDerWaalsContact O-CB 3.3Å; Y1020-L1024 WeakPolarHBondContact O-CB 3.5Å; Y1020-L1024 PolarHBondContact O-N 3.36Å; Y1020-A1025 PolarHBondContact O-N 3.33Å; Y1020-V1026 CarbonylContact C-O 3.58Å; Y1020-V1026 VanDerWaalsContact C-O 3.22Å; Y1020-V1026 HydrophobicContact CD1-CB 4.09Å; Y1020-V1026 HydrophobicContact CD1-CG1 4.06Å; Y1020-V1026 PolarHBondContact O-N 3.25Å; Y1020-V1028 HydrophobicContact CD2-CG1 4.09Å; Y1020-V1028 HydrophobicContact CG-CG1 3.76Å; Y1020-V1048 HydrophobicContact CD2-CG2 4.08Å; Y1020-V1048 HydrophobicContact CE2-CG2 3.94Å; Y1020-I1050 HydrophobicContact CD1-CD1 4.37Å; Y1020-I1050 HydrophobicContact CD1-CG1 4.41Å; Y1020-I1050 HydrophobicContact CE1-CD1 4.05Å; Y1020-I1050 HydrophobicContact CE1-CG1 4.44Å; Y1020-I1050 HydrophobicContact CE2-CD1 4.31Å; Y1020-G1061 WeakPolarHBondContact OH-CA 3.32Å; Y1020-G1061 PolarHBondContact OH-O 3.19Å; Y1020-L1097 HydrophobicContact CE2-CD1 4.14Å; Y1020-T1101 HydrophobicContact CE1-CG2 3.84Å; Y1020-T1101 HydrophobicContact CE2-CG2 4.49Å; Y1020-T1101 PolarHBondContact OH-OG1 2.78Å; Y1020-V1104 HydrophobicContact CD1-CG1 4.33Å; Y1020-V1104 HydrophobicContact CE1-CB 4.03Å; Y1020-V1104 HydrophobicContact CE1-CG1 3.81Å; Y1020-V1104 HydrophobicContact CE1-CG2 4.39Å
1021E98.7Very high98.6Very high67 Ų6724.6 Ų24.631%0.31312%0.119SC..Iπ-helixtrans-78.2-52.2-171-59.7-175.2153.600111.4A1017 A1025 V1026 V1028 H1233 F1237A1017-E1021 WeakPolarHBondContact O-CB 3.18Å; A1017-E1021 WeakPolarHBondContact O-CG 3.42Å; A1017-E1021 PolarHBondContact O-N 2.75Å; E1021-A1025 WeakPolarHBondContact O-CA 3.23Å; E1021-A1025 PolarHBondContact O-N 2.91Å; E1021-V1026 WeakPolarHBondContact CA-O 3.27Å; E1021-V1026 WeakPolarHBondContact CG-O 3.06Å; E1021-V1026 PolarHBondContact N-O 2.85Å; E1021-V1028 HydrophobicContact CG-CG2 4.3Å; E1021-H1233 PolarHBondContact O-NE2 3.49Å; E1021-F1237 HydrophobicContact CB-CE2 3.75Å; E1021-F1237 HydrophobicContact CB-CZ 4.3Å; E1021-F1237 HydrophobicContact CG-CE2 3.86Å; E1021-F1237 HydrophobicContact CG-CZ 4.33Å
1022Y98.5Very high98.6Very high123 Ų12326.1 Ų26.148%0.48212%0.117SC..Iπ-helixtrans-78-45.7-175.5178-88.3000112.4F886 E1018 R1120 H1233F886-Y1022 AromaticContact CE2-CD1 3.59Å; F886-Y1022 HydrophobicContact CE2-CD1 3.59Å; F886-Y1022 AromaticContact CE2-CE1 3.89Å; F886-Y1022 HydrophobicContact CE2-CE1 3.89Å; F886-Y1022 HydrophobicContact CZ-CD1 4.01Å; E1018-Y1022 WeakPolarHBondContact O-CA 3.49Å; E1018-Y1022 WeakPolarHBondContact O-CB 3.39Å; E1018-Y1022 PolarHBondContact O-N 2.81Å; Y1022-R1120 WeakPolarHBondContact O-CD 3.31Å; Y1022-R1120 PolarHBondContact O-NH1 3.32Å; Y1022-H1233 PolarHBondContact O-CE1 3.16Å; Y1022-H1233 PolarHBondContact O-NE2 3.38Å
1023L98.7Very high98.5Very high9 Ų926.5 Ų26.55%0.04712%0.119CC..Iπ-helixtrans-86.3-38.2-176.8176.265.4000112.5I883 F886 E1018 V1019 R1120 V1121I883-L1023 HydrophobicContact CB-CD2 4.46Å; I883-L1023 HydrophobicContact CG1-CD2 3.92Å; F886-L1023 HydrophobicContact CB-CD2 3.9Å; F886-L1023 HydrophobicContact CD1-CD2 4.45Å; F886-L1023 HydrophobicContact CG-CD2 4.07Å; E1018-L1023 PolarHBondContact O-N 3.41Å; V1019-L1023 VanDerWaalsContact O-CB 3.3Å; V1019-L1023 WeakPolarHBondContact O-CB 3.43Å; V1019-L1023 PolarHBondContact O-N 3.04Å; L1023-R1120 HydrophobicContact CD1-CB 3.84Å; L1023-V1121 HydrophobicContact CD1-CB 4.24Å; L1023-V1121 HydrophobicContact CG-CB 4.4Å
1024L98.8Very high98.4Very high0 Ų026.6 Ų26.60%012%0.119CC..THydrogen-bonded Turntrans-107.6-1.7-171.1-54176.9000114.8I883 V1019 Y1020 V1026 T1101 L1105 H1109 P1118 V1121I883-L1024 HydrophobicContact CD1-CD1 4.49Å; V1019-L1024 HydrophobicContact CG1-CD1 4.14Å; V1019-L1024 VanDerWaalsContact O-CG 3.28Å; V1019-L1024 WeakPolarHBondContact O-CG 3.47Å; V1019-L1024 PolarHBondContact O-N 3.48Å; V1019-L1024 VanDerWaalsContact O-N 3.14Å; Y1020-L1024 HydrophobicContact CD1-CD1 4.13Å; Y1020-L1024 HydrophobicContact CE1-CD1 4.4Å; Y1020-L1024 CarbonylContact O-C 3.42Å; Y1020-L1024 WeakPolarHBondContact O-CA 3.35Å; Y1020-L1024 VanDerWaalsContact O-CB 3.3Å; Y1020-L1024 WeakPolarHBondContact O-CB 3.5Å; Y1020-L1024 PolarHBondContact O-N 3.36Å; L1024-V1026 HydrophobicContact CB-CG2 4.2Å; L1024-V1026 WeakPolarHBondContact O-CG2 3.39Å; L1024-V1026 PolarHBondContact O-N 3.03Å; L1024-T1101 HydrophobicContact CD1-CG2 3.28Å; L1024-L1105 HydrophobicContact CB-CD1 3.78Å; L1024-L1105 HydrophobicContact CD2-CD1 4.08Å; L1024-L1105 HydrophobicContact CD2-CD2 4.31Å; L1024-L1105 HydrophobicContact CG-CD1 4.42Å; L1024-L1105 WeakPolarHBondContact O-CD1 3.26Å; L1024-H1109 PolarHBondContact O-NE2 3.44Å; L1024-P1118 WeakPolarHBondContact O-CG 3.23Å; L1024-V1121 HydrophobicContact CD2-CB 3.79Å; L1024-V1121 HydrophobicContact CD2-CG1 3.88Å; L1024-V1121 HydrophobicContact CD2-CG2 3.67Å
1025A98.8Very high98.1Very high0 Ų027 Ų270%012%0.119CC..  trans54.332.3-176.500000113.5Y1020 E1021 H1109 P1118 M1236 F1237Y1020-A1025 PolarHBondContact O-N 3.33Å; E1021-A1025 WeakPolarHBondContact O-CA 3.23Å; E1021-A1025 PolarHBondContact O-N 2.91Å; A1025-H1109 PolarHBondContact O-CE1 3.19Å; A1025-H1109 PolarHBondContact O-NE2 3.15Å; A1025-H1109 VanDerWaalsContact O-NE2 3.1Å; A1025-P1118 HydrophobicContact CB-CB 4.17Å; A1025-P1118 HydrophobicContact CB-CG 4.06Å; A1025-M1236 HydrophobicContact CB-CB 4.13Å; A1025-F1237 HydrophobicContact CB-CB 4.08Å; A1025-F1237 WeakPolarHBondContact O-CA 3.35Å
1026V98.8Very high97.6Very high0 Ų031.8 Ų31.80%014%0.137CC..  trans-110.9119.9179.4175.50000109.1Y1020 E1021 L1024 I1050 V1104 V1108Y1020-V1026 CarbonylContact C-O 3.58Å; Y1020-V1026 VanDerWaalsContact C-O 3.22Å; Y1020-V1026 HydrophobicContact CD1-CB 4.09Å; Y1020-V1026 HydrophobicContact CD1-CG1 4.06Å; Y1020-V1026 PolarHBondContact O-N 3.25Å; E1021-V1026 WeakPolarHBondContact CA-O 3.27Å; E1021-V1026 WeakPolarHBondContact CG-O 3.06Å; E1021-V1026 PolarHBondContact N-O 2.85Å; L1024-V1026 HydrophobicContact CB-CG2 4.2Å; L1024-V1026 WeakPolarHBondContact O-CG2 3.39Å; L1024-V1026 PolarHBondContact O-N 3.03Å; V1026-I1050 HydrophobicContact CG1-CG1 4.14Å; V1026-I1050 HydrophobicContact CG1-CG2 3.53Å; V1026-V1104 HydrophobicContact CG1-CG1 4.11Å; V1026-V1108 HydrophobicContact CG1-CG2 4.14Å; V1026-V1108 HydrophobicContact CG2-CB 4.24Å; V1026-V1108 HydrophobicContact CG2-CG1 4.19Å; V1026-V1108 HydrophobicContact CG2-CG2 4.37Å
1027P98.4Very high97.3Very high10 Ų1034.6 Ų34.67%0.06515%0.15CC..  trans-69.2147.3174.432.1-38.2000111.1F1237 A1240 L1244P1027-F1237 HydrophobicContact CB-CE2 4.12Å; P1027-F1237 HydrophobicContact CB-CZ 4.43Å; P1027-A1240 VanDerWaalsContact CD-CB 3.42Å; P1027-A1240 HydrophobicContact CG-CB 3.95Å; P1027-L1244 HydrophobicContact CB-CD2 4.15Å; P1027-L1244 HydrophobicContact CG-CB 4.45Å; P1027-L1244 HydrophobicContact CG-CD2 4.3Å
1028V98.4Very high97.1Very high12 Ų1236.4 Ų36.47%0.07316%0.157CC..  trans-127.8154.4178.4-530000112.1A1017 Y1020 E1021 K1030 V1048 I1050A1017-V1028 HydrophobicContact CB-CG2 3.74Å; Y1020-V1028 HydrophobicContact CD2-CG1 4.09Å; Y1020-V1028 HydrophobicContact CG-CG1 3.76Å; E1021-V1028 HydrophobicContact CG-CG2 4.3Å; V1028-K1030 HydrophobicContact CG2-CG 4.22Å; V1028-V1048 HydrophobicContact CB-CB 4.03Å; V1028-V1048 HydrophobicContact CB-CG1 4.34Å; V1028-V1048 HydrophobicContact CG1-CB 4.28Å; V1028-V1048 HydrophobicContact CG2-CB 4.23Å; V1028-V1048 HydrophobicContact CG2-CG1 3.98Å; V1028-I1050 HydrophobicContact CG1-CD1 4.34Å; V1028-I1050 HydrophobicContact CG1-CG1 3.88Å
1029V98.2Very high96.7Very high2 Ų235 Ų351%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-102.5109.7166.7-174.60000108.3E1049 L1244 P1306 F1311 L1341V1029-E1049 HydrophobicContact CB-CB 4.36Å; V1029-E1049 PolarHBondContact N-O 3.03Å; V1029-E1049 PolarHBondContact O-N 3.27Å; V1029-L1244 HydrophobicContact CG2-CD1 4.26Å; V1029-L1244 HydrophobicContact CG2-CD2 4.04Å; V1029-P1306 HydrophobicContact CG1-CB 3.7Å; V1029-P1306 HydrophobicContact CG1-CG 3.97Å; V1029-F1311 HydrophobicContact CG1-CE1 4.5Å; V1029-F1311 HydrophobicContact CG2-CD1 4.29Å; V1029-F1311 HydrophobicContact CG2-CE1 3.63Å; V1029-F1311 HydrophobicContact CG2-CZ 4.22Å; V1029-L1341 HydrophobicContact CG1-CD2 4.35Å
1030K98.3Very high96Very high72 Ų7236.4 Ų36.431%0.31316%0.162SC..EExtended strand (participates in β ladder)trans-78.6128173.8-68.1-172.7-66.1-169.90109.9L1013 D1014 A1017 V1028 V1048 P1306 F1307L1013-K1030 HydrophobicContact CD2-CB 4.18Å; L1013-K1030 HydrophobicContact CD2-CD 4.3Å; L1013-K1030 HydrophobicContact CD2-CG 4.4Å; L1013-K1030 HydrophobicContact CG-CD 4.24Å; L1013-K1030 HydrophobicContact CG-CG 4.36Å; D1014-K1030 IonicContact OD1-NZ 3.6Å; D1014-K1030 PolarHBondContact OD1-NZ 3.18Å; A1017-K1030 HydrophobicContact CB-CD 3.86Å; A1017-K1030 HydrophobicContact CB-CG 4.24Å; V1028-K1030 HydrophobicContact CG2-CG 4.22Å; K1030-V1048 HydrophobicContact CG-CG1 4.15Å; K1030-P1306 WeakPolarHBondContact O-CA 3.49Å; K1030-F1307 HydrophobicContact CB-CD2 4.08Å; K1030-F1307 PolarHBondContact O-N 3.24Å
1031G98Very high95.3Very high0 Ų037.5 Ų37.50%017%0.173CC..EExtended strand (participates in β ladder)trans-159.5177.8179.700000115T1046 T1047 I1305 F1307G1031-T1046 CarbonylContact O-C 3.57Å; G1031-T1046 VanDerWaalsContact O-CA 3.23Å; G1031-T1046 WeakPolarHBondContact O-CA 3.49Å; G1031-T1047 PolarHBondContact N-O 2.76Å; G1031-T1047 PolarHBondContact O-N 3.15Å; G1031-I1305 CarbonylContact C-O 3.53Å; G1031-I1305 WeakPolarHBondContact CA-O 3.45Å; G1031-F1307 WeakPolarHBondContact O-CE2 3.33Å
1032R98.1Very high95Very high104 Ų10434.5 Ų34.539%0.39216%0.159SC..EExtended strand (participates in β ladder)trans-101.5132.9173.8-170.9179.9172.3169.30.1109.5Y1044 T1045 C1304 I1305 F1307R1032-Y1044 VanDerWaalsContact NH2-CB 3.32Å; R1032-T1045 CarbonylContact C-O 3.6Å; R1032-T1045 WeakPolarHBondContact CA-O 3.39Å; R1032-T1045 WeakPolarHBondContact CG-O 3.39Å; R1032-C1304 CarbonylContact O-C 3.35Å; R1032-C1304 WeakPolarHBondContact O-CA 3.09Å; R1032-I1305 PolarHBondContact N-O 2.7Å; R1032-I1305 PolarHBondContact O-N 3.45Å; R1032-F1307 HydrophobicContact CB-CE1 3.85Å; R1032-F1307 HydrophobicContact CB-CZ 3.74Å; R1032-F1307 VanDerWaalsContact N-CZ 3.26Å
1033K97.8Very high94.9Very high9 Ų931.3 Ų31.34%0.03915%0.151CC..PPolyproline II helixtrans-63.9147.2170.5-67-62.5-162.7179.60110.5E1037 K1038 T1045 T1047 E1049 L1303K1033-E1037 HydrophobicContact CB-CB 4.47Å; K1033-E1037 HydrophobicContact CD-CB 4.23Å; K1033-E1037 WeakPolarHBondContact CG-O 3.5Å; K1033-K1038 HydrophobicContact CB-CB 4.11Å; K1033-T1045 HydrophobicContact CB-CG2 4.34Å; K1033-T1045 HydrophobicContact CG-CG2 3.68Å; K1033-T1045 PolarHBondContact N-O 3.18Å; K1033-T1047 HydrophobicContact CD-CG2 3.81Å; K1033-T1047 HydrophobicContact CG-CG2 4.17Å; K1033-E1049 WeakPolarHBondContact CE-OE1 3.43Å; K1033-E1049 IonicContact NZ-OE1 3.18Å; K1033-E1049 PolarHBondContact NZ-OE1 3.44Å; K1033-L1303 WeakPolarHBondContact CD-O 3.39Å; K1033-L1303 PolarHBondContact NZ-O 3.08Å
1034T96.3Very high94.9Very high3 Ų331.9 Ų31.92%0.01815%0.152CC..PPolyproline II helixtrans-65169.1169.465.30000110R1036 E1037 K1038 F1271 E1278 S1302 T1340T1034-R1036 PolarHBondContact O-N 3.29Å; T1034-R1036 VanDerWaalsContact O-N 3.15Å; T1034-E1037 PolarHBondContact O-N 3.41Å; T1034-E1037 PolarHBondContact OG1-N 3.17Å; T1034-K1038 WeakPolarHBondContact O-CB 3.29Å; T1034-K1038 PolarHBondContact O-N 3.45Å; T1034-F1271 HydrophobicContact CG2-CE1 4.36Å; T1034-E1278 WeakPolarHBondContact CB-OE2 3.39Å; T1034-E1278 PolarHBondContact OG1-OE1 3.22Å; T1034-E1278 PolarHBondContact OG1-OE2 2.8Å; T1034-S1302 WeakPolarHBondContact CG2-OG 3.47Å; T1034-S1302 PolarHBondContact OG1-OG 2.95Å; T1034-T1340 HydrophobicContact CG2-CG2 4.18Å
1035E92.1Very high94.9Very high76 Ų7632 Ų3236%0.35515%0.153SC..THydrogen-bonded Turntrans-62.3-21.7179.5-174.157-153.700113.1K1038 R1275E1035-K1038 WeakPolarHBondContact OE1-CE 3.33Å; E1035-K1038 IonicContact OE1-NZ 3.51Å; E1035-K1038 PolarHBondContact OE1-NZ 3.37Å; E1035-K1038 WeakPolarHBondContact OE2-CD 3.5Å; E1035-K1038 WeakPolarHBondContact OE2-CE 3.36Å; E1035-K1038 IonicContact OE2-NZ 3.2Å; E1035-K1038 PolarHBondContact OE2-NZ 3.03Å; E1035-R1275 IonicContact OE1-CZ 2.71Å; E1035-R1275 IonicContact OE1-NH2 3.09Å; E1035-R1275 PolarHBondContact OE1-NH2 2.97Å
1036R88.9Confident94.9Very high106 Ų10632 Ų3240%0.415%0.153SC..THydrogen-bonded Turntrans-86.3-36.3175.8-174.3158.6-179118.40.9113.3T1034 R1275 E1279T1034-R1036 PolarHBondContact O-N 3.29Å; T1034-R1036 VanDerWaalsContact O-N 3.15Å; R1036-R1275 HydrophobicContact CB-CG 4.29Å; R1036-E1279 IonicContact CZ-OE2 3.62Å; R1036-E1279 IonicContact NE-OE2 2.75Å; R1036-E1279 PolarHBondContact NE-OE2 2.61Å; R1036-E1279 VanDerWaalsContact NH2-CD 3.29Å; R1036-E1279 IonicContact NH2-OE1 3.58Å; R1036-E1279 IonicContact NH2-OE2 3.71Å; R1036-E1279 PolarHBondContact NH2-OE2 3.44Å
1037E92.7Very high94.9Very high58 Ų5832 Ų3227%0.27115%0.153SC..THydrogen-bonded Turntrans-97.13.9-175.6-65.2-74.2146.500113.2K1033 T1034 E1278K1033-E1037 HydrophobicContact CB-CB 4.47Å; K1033-E1037 HydrophobicContact CD-CB 4.23Å; K1033-E1037 WeakPolarHBondContact CG-O 3.5Å; T1034-E1037 PolarHBondContact O-N 3.41Å; T1034-E1037 PolarHBondContact OG1-N 3.17Å; E1037-E1278 WeakPolarHBondContact CG-OE1 3.28Å
1038K92.8Very high94.9Very high41 Ų4131.5 Ų31.518%0.17815%0.15CC..SBendtrans-73.7162.2173.372.9175.8-173.7-177.60111.5K1033 T1034 E1035 A1040 A1042 D1043K1033-K1038 HydrophobicContact CB-CB 4.11Å; T1034-K1038 WeakPolarHBondContact O-CB 3.29Å; T1034-K1038 PolarHBondContact O-N 3.45Å; E1035-K1038 WeakPolarHBondContact OE1-CE 3.33Å; E1035-K1038 IonicContact OE1-NZ 3.51Å; E1035-K1038 PolarHBondContact OE1-NZ 3.37Å; E1035-K1038 WeakPolarHBondContact OE2-CD 3.5Å; E1035-K1038 WeakPolarHBondContact OE2-CE 3.36Å; E1035-K1038 IonicContact OE2-NZ 3.2Å; E1035-K1038 PolarHBondContact OE2-NZ 3.03Å; K1038-A1040 PolarHBondContact O-N 3.35Å; K1038-A1042 WeakPolarHBondContact CE-O 3.4Å; K1038-A1042 PolarHBondContact NZ-O 3.35Å; K1038-D1043 PolarHBondContact NZ-O 2.93Å
1039F89.8Confident94.9Very high43 Ų4331 Ų3119%0.18915%0.147CC..PPolyproline II helixtrans-61.2131.8171.4-179-99.5000111G1041 A1042 T1045 H1065 L1067 F1071F1039-G1041 PolarHBondContact O-N 2.72Å; F1039-A1042 HydrophobicContact CB-CB 4.09Å; F1039-A1042 HydrophobicContact CD1-CB 4.17Å; F1039-A1042 VanDerWaalsContact O-CB 3.31Å; F1039-A1042 WeakPolarHBondContact O-CB 3.05Å; F1039-A1042 PolarHBondContact O-N 2.84Å; F1039-T1045 PolarHBondContact N-OG1 2.74Å; F1039-H1065 VanDerWaalsContact CB-ND1 3.28Å; F1039-H1065 WeakPolarHBondContact CB-ND1 3.4Å; F1039-L1067 HydrophobicContact CD1-CD2 3.86Å; F1039-L1067 HydrophobicContact CE1-CD2 4Å; F1039-F1071 HydrophobicContact CE1-CE2 4.16Å; F1039-F1071 AromaticContact CE1-CZ 3.94Å; F1039-F1071 HydrophobicContact CE1-CZ 3.94Å
1040A84.5Confident94.9Very high30 Ų3031.1 Ų31.125%0.24815%0.147CC..THydrogen-bonded Turntrans-66122.6-177.600000109.7V917 K1038V917-A1040 HydrophobicContact CG1-CB 3.37Å; K1038-A1040 PolarHBondContact O-N 3.35Å
1041G85.2Confident94.9Very high23 Ų2328.3 Ų28.324%0.23714%0.135CC..THydrogen-bonded Turntrans92.5-6-173.100000114.9F1039 N1070F1039-G1041 PolarHBondContact O-N 2.72Å; G1041-N1070 WeakPolarHBondContact O-CB 3.45Å; G1041-N1070 PolarHBondContact O-ND2 3.01Å
1042A92.7Very high94.8Very high3 Ų328.3 Ų28.33%0.02514%0.135CC..  trans-81.6144.8170.300000112.1K1038 F1039 Y1044 H1065 H1066 L1067K1038-A1042 WeakPolarHBondContact CE-O 3.4Å; K1038-A1042 PolarHBondContact NZ-O 3.35Å; F1039-A1042 HydrophobicContact CB-CB 4.09Å; F1039-A1042 HydrophobicContact CD1-CB 4.17Å; F1039-A1042 VanDerWaalsContact O-CB 3.31Å; F1039-A1042 WeakPolarHBondContact O-CB 3.05Å; F1039-A1042 PolarHBondContact O-N 2.84Å; A1042-Y1044 VanDerWaalsContact C-N 3.31Å; A1042-H1065 HydrophobicContact CB-CB 4.29Å; A1042-H1066 CarbonylContact C-O 3.52Å; A1042-H1066 WeakPolarHBondContact CB-O 3.16Å; A1042-L1067 HydrophobicContact CB-CD2 3.96Å
1043D95.9Very high94.3Very high56 Ų5626.8 Ų26.830%0.29913%0.134SC..SBendtrans-63.7-43.8166-78.64.7000109.2K1038 H1066 N1070K1038-D1043 PolarHBondContact NZ-O 2.93Å; D1043-H1066 PolarHBondContact N-O 3.12Å; D1043-H1066 IonicContact OD2-CD2 3.56Å; D1043-N1070 PolarHBondContact OD1-ND2 3.12Å; D1043-N1070 VanDerWaalsContact OD1-ND2 3.1Å
1044Y97.9Very high93.7Very high21 Ų2126.8 Ų26.88%0.08214%0.137CC..EExtended strand (participates in β ladder)trans-155.7164.4169.166.8-94000113.1E1006 V1009 R1032 A1042 T1046 H1066E1006-Y1044 WeakPolarHBondContact CB-OH 3.46Å; E1006-Y1044 HydrophobicContact CG-CE1 4.19Å; E1006-Y1044 WeakPolarHBondContact CG-OH 3.45Å; V1009-Y1044 HydrophobicContact CG1-CE2 3.84Å; R1032-Y1044 VanDerWaalsContact NH2-CB 3.32Å; A1042-Y1044 VanDerWaalsContact C-N 3.31Å; Y1044-T1046 HydrophobicContact CD2-CG2 4.18Å; Y1044-T1046 HydrophobicContact CE2-CG2 4.06Å; Y1044-H1066 HydrophobicContact CD1-CB 3.84Å; Y1044-H1066 HydrophobicContact CD2-CB 4.3Å; Y1044-H1066 HydrophobicContact CE1-CB 3.46Å; Y1044-H1066 VanDerWaalsContact CE1-CB 3.46Å; Y1044-H1066 AromaticContact CE1-CD2 3.68Å; Y1044-H1066 AromaticContact CE1-CG 3.8Å; Y1044-H1066 HydrophobicContact CE2-CB 3.94Å; Y1044-H1066 HydrophobicContact CG-CB 4.24Å; Y1044-H1066 VanDerWaalsContact CZ-CB 3.5Å; Y1044-H1066 PolarHBondContact N-O 2.78Å; Y1044-H1066 PolarHBondContact O-N 3.31Å
1045T98.6Very high93.3Very high2 Ų227.6 Ų27.61%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-128.5134.6175.9-64.70000110.1R1032 K1033 F1039 T1063 S1064 H1065R1032-T1045 CarbonylContact C-O 3.6Å; R1032-T1045 WeakPolarHBondContact CA-O 3.39Å; R1032-T1045 WeakPolarHBondContact CG-O 3.39Å; K1033-T1045 HydrophobicContact CB-CG2 4.34Å; K1033-T1045 HydrophobicContact CG-CG2 3.68Å; K1033-T1045 PolarHBondContact N-O 3.18Å; F1039-T1045 PolarHBondContact N-OG1 2.74Å; T1045-T1063 HydrophobicContact CG2-CG2 3.98Å; T1045-S1064 WeakPolarHBondContact CA-O 3.37Å; T1045-H1065 VanDerWaalsContact CG2-CE1 3.42Å; T1045-H1065 WeakPolarHBondContact CG2-CE1 3.14Å; T1045-H1065 WeakPolarHBondContact CG2-ND1 3.33Å; T1045-H1065 PolarHBondContact OG1-ND1 2.82Å
1046T98.8Very high93.3Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-103.7152.7166.460.30000110.5V1009 L1013 G1031 Y1044 T1063 S1064 F1307V1009-T1046 HydrophobicContact CG1-CG2 4.05Å; V1009-T1046 WeakPolarHBondContact CG1-OG1 3.25Å; L1013-T1046 HydrophobicContact CD2-CG2 4.44Å; G1031-T1046 CarbonylContact O-C 3.57Å; G1031-T1046 VanDerWaalsContact O-CA 3.23Å; G1031-T1046 WeakPolarHBondContact O-CA 3.49Å; Y1044-T1046 HydrophobicContact CD2-CG2 4.18Å; Y1044-T1046 HydrophobicContact CE2-CG2 4.06Å; T1046-T1063 VanDerWaalsContact O-CA 3.29Å; T1046-T1063 WeakPolarHBondContact O-CA 3.49Å; T1046-S1064 PolarHBondContact N-O 3.05Å; T1046-S1064 PolarHBondContact O-N 3.21Å; T1046-S1064 PolarHBondContact OG1-O 3.44Å; T1046-F1307 HydrophobicContact CG2-CE2 4.25Å; T1046-F1307 HydrophobicContact CG2-CZ 3.96Å
1047T98.7Very high93.5Very high0 Ų020.6 Ų20.60%011%0.113CC..EExtended strand (participates in β ladder)trans-146151.7-170.6-174.90000111.2G1031 K1033 E1049 A1062 C1304G1031-T1047 PolarHBondContact N-O 2.76Å; G1031-T1047 PolarHBondContact O-N 3.15Å; K1033-T1047 HydrophobicContact CD-CG2 3.81Å; K1033-T1047 HydrophobicContact CG-CG2 4.17Å; T1047-E1049 HydrophobicContact CG2-CG 3.95Å; T1047-E1049 VanDerWaalsContact CG2-OE1 3.25Å; T1047-E1049 WeakPolarHBondContact CG2-OE1 3.44Å; T1047-E1049 PolarHBondContact OG1-OE1 3.46Å; T1047-A1062 WeakPolarHBondContact CA-O 3.43Å; T1047-C1304 HydrophobicContact CG2-CB 3.52Å
1048V98.7Very high93.7Very high0 Ų017.9 Ų17.90%010%0.1CC..EExtended strand (participates in β ladder)trans-103.7117.7161.1-67.40000108.9L1013 A1017 Y1020 V1028 K1030 G1061 A1062L1013-V1048 HydrophobicContact CD1-CG1 3.84Å; A1017-V1048 HydrophobicContact CB-CG1 4.27Å; Y1020-V1048 HydrophobicContact CD2-CG2 4.08Å; Y1020-V1048 HydrophobicContact CE2-CG2 3.94Å; V1028-V1048 HydrophobicContact CB-CB 4.03Å; V1028-V1048 HydrophobicContact CB-CG1 4.34Å; V1028-V1048 HydrophobicContact CG1-CB 4.28Å; V1028-V1048 HydrophobicContact CG2-CB 4.23Å; V1028-V1048 HydrophobicContact CG2-CG1 3.98Å; K1030-V1048 HydrophobicContact CG-CG1 4.15Å; V1048-G1061 PolarHBondContact O-N 2.89Å; V1048-A1062 HydrophobicContact CG2-CB 3.86Å; V1048-A1062 VanDerWaalsContact CG2-N 3.34Å; V1048-A1062 PolarHBondContact N-O 3.38Å; V1048-A1062 VanDerWaalsContact N-O 3.12Å
1049E98.3Very high93.9Very high3 Ų315.9 Ų15.91%0.0149%0.092CC..EExtended strand (participates in β ladder)trans-102.5138.3177.5-60.2-62150.500110.4V1029 K1033 T1047 L1303 C1304V1029-E1049 HydrophobicContact CB-CB 4.36Å; V1029-E1049 PolarHBondContact N-O 3.03Å; V1029-E1049 PolarHBondContact O-N 3.27Å; K1033-E1049 WeakPolarHBondContact CE-OE1 3.43Å; K1033-E1049 IonicContact NZ-OE1 3.18Å; K1033-E1049 PolarHBondContact NZ-OE1 3.44Å; T1047-E1049 HydrophobicContact CG2-CG 3.95Å; T1047-E1049 VanDerWaalsContact CG2-OE1 3.25Å; T1047-E1049 WeakPolarHBondContact CG2-OE1 3.44Å; T1047-E1049 PolarHBondContact OG1-OE1 3.46Å; E1049-L1303 HydrophobicContact CG-CB 4.09Å; E1049-C1304 HydrophobicContact CG-CB 4.18Å
1050I98.5Very high94.2Very high3 Ų316.8 Ų16.82%0.01510%0.096CC..EExtended strand (participates in β ladder)trans-123.6140.1-178.7-56.993.5000109.9Y1020 V1026 V1028 I1052 A1058 I1059 V1104 V1108Y1020-I1050 HydrophobicContact CD1-CD1 4.37Å; Y1020-I1050 HydrophobicContact CD1-CG1 4.41Å; Y1020-I1050 HydrophobicContact CE1-CD1 4.05Å; Y1020-I1050 HydrophobicContact CE1-CG1 4.44Å; Y1020-I1050 HydrophobicContact CE2-CD1 4.31Å; V1026-I1050 HydrophobicContact CG1-CG1 4.14Å; V1026-I1050 HydrophobicContact CG1-CG2 3.53Å; V1028-I1050 HydrophobicContact CG1-CD1 4.34Å; V1028-I1050 HydrophobicContact CG1-CG1 3.88Å; I1050-I1052 HydrophobicContact CG2-CD1 4.4Å; I1050-A1058 CarbonylContact O-C 3.56Å; I1050-A1058 VanDerWaalsContact O-CA 3.24Å; I1050-A1058 WeakPolarHBondContact O-CA 3.32Å; I1050-I1059 HydrophobicContact CB-CG2 3.97Å; I1050-I1059 PolarHBondContact N-O 3.32Å; I1050-I1059 PolarHBondContact O-N 2.96Å; I1050-V1104 HydrophobicContact CB-CG1 4.09Å; I1050-V1104 HydrophobicContact CG1-CG1 4.18Å; I1050-V1104 HydrophobicContact CG2-CG1 3.69Å; I1050-V1108 HydrophobicContact CG2-CG2 4.1Å
1051Y97.8Very high94.9Very high13 Ų1315.6 Ų15.65%0.0519%0.087CC..EExtended strand (participates in β ladder)trans-93.5136.5174.9173.9-107.5000111.9D1053 L1244 H1247 K1264 L1266Y1051-D1053 VanDerWaalsContact CE1-CA 3.5Å; Y1051-D1053 HydrophobicContact CE1-CB 4Å; Y1051-L1244 HydrophobicContact CG-CD1 4.31Å; Y1051-H1247 HydrophobicContact CD1-CB 4.16Å; Y1051-H1247 HydrophobicContact CD2-CB 4.45Å; Y1051-H1247 HydrophobicContact CE1-CB 3.47Å; Y1051-H1247 VanDerWaalsContact CE1-CB 3.47Å; Y1051-H1247 AromaticContact CE1-CG 3.57Å; Y1051-H1247 AromaticContact CE1-ND1 3.5Å; Y1051-H1247 WeakPolarHBondContact CE1-ND1 3.46Å; Y1051-H1247 HydrophobicContact CE2-CB 3.79Å; Y1051-H1247 AromaticContact CZ-CD2 3.96Å; Y1051-H1247 AromaticContact CZ-CG 3.44Å; Y1051-H1247 VanDerWaalsContact CZ-CG 3.44Å; Y1051-H1247 AromaticContact CZ-ND1 3.82Å; Y1051-H1247 WeakPolarHBondContact OH-CB 3.44Å; Y1051-H1247 PolarHBondContact OH-CD2 2.9Å; Y1051-K1264 WeakPolarHBondContact CE2-O 3.27Å; Y1051-K1264 PolarHBondContact OH-O 2.62Å; Y1051-L1266 HydrophobicContact CD2-CD1 3.87Å; Y1051-L1266 HydrophobicContact CD2-CD2 4.05Å; Y1051-L1266 HydrophobicContact CD2-CG 3.66Å; Y1051-L1266 HydrophobicContact CE2-CG 4.25Å; Y1051-L1266 HydrophobicContact CG-CD1 4.37Å
1052I96.6Very high95.5Very high0 Ų014.6 Ų14.60%08%0.077CC..EExtended strand (participates in β ladder)trans-111.7104.2178.1-54.4-56000110F847 I1050 G1054 N1055 G1056 R1057 I1059 M1107 V1108 Y1346F847-I1052 HydrophobicContact CE2-CG2 4.06Å; F847-I1052 HydrophobicContact CZ-CG2 3.69Å; I1050-I1052 HydrophobicContact CG2-CD1 4.4Å; I1052-G1054 VanDerWaalsContact C-N 3.34Å; I1052-G1054 PolarHBondContact O-N 3.06Å; I1052-N1055 PolarHBondContact O-N 3.35Å; I1052-N1055 PolarHBondContact O-OD1 3.3Å; I1052-G1056 WeakPolarHBondContact O-CA 3.43Å; I1052-G1056 PolarHBondContact O-N 2.85Å; I1052-R1057 WeakPolarHBondContact CB-O 3.3Å; I1052-R1057 PolarHBondContact N-O 2.84Å; I1052-R1057 PolarHBondContact O-N 3.21Å; I1052-I1059 HydrophobicContact CD1-CG2 3.93Å; I1052-I1059 HydrophobicContact CG1-CG2 3.94Å; I1052-M1107 HydrophobicContact CD1-CB 3.97Å; I1052-M1107 HydrophobicContact CD1-CE 3.87Å; I1052-M1107 HydrophobicContact CG1-CE 3.97Å; I1052-M1107 HydrophobicContact CG2-CB 3.9Å; I1052-M1107 HydrophobicContact CG2-SD 4.33Å; I1052-V1108 HydrophobicContact CD1-CG2 3.73Å; I1052-Y1346 HydrophobicContact CB-CE2 4.25Å; I1052-Y1346 HydrophobicContact CG1-CE2 3.84Å
1053D88.3Confident95.8Very high72 Ų7215.1 Ų15.139%0.3858%0.08SC..THydrogen-bonded Turntrans-57.6-39.1-174.4-160.93.4000114.1Y1051 N1055 S1243 H1247Y1051-D1053 VanDerWaalsContact CE1-CA 3.5Å; Y1051-D1053 HydrophobicContact CE1-CB 4Å; D1053-N1055 PolarHBondContact O-N 3.2Å; D1053-N1055 VanDerWaalsContact O-N 3.15Å; D1053-S1243 WeakPolarHBondContact CB-OG 3Å; D1053-S1243 PolarHBondContact OD1-OG 3.33Å; D1053-S1243 PolarHBondContact OD2-OG 2.68Å; D1053-H1247 IonicContact OD1-CE1 3.81Å; D1053-H1247 PolarHBondContact OD1-CE1 2.99Å; D1053-H1247 IonicContact OD1-ND1 3.98Å; D1053-H1247 IonicContact OD1-NE2 3.94Å
1054G85.4Confident95.9Very high9 Ų912.5 Ų12.59%0.0937%0.066CC..THydrogen-bonded Turntrans-60.7-32-174.800000114.1I1052 K1264I1052-G1054 VanDerWaalsContact C-N 3.34Å; I1052-G1054 PolarHBondContact O-N 3.06Å; G1054-K1264 PolarHBondContact O-NZ 2.95Å
1055N87.5Confident95.9Very high20 Ų2012.2 Ų12.211%0.1077%0.065CC..THydrogen-bonded Turntrans-131.16.6-178.567.92.4000115.2F847 I1052 D1053 R1057 Y1346F847-N1055 HydrophobicContact CG-CB 4.35Å; I1052-N1055 PolarHBondContact O-N 3.35Å; I1052-N1055 PolarHBondContact O-OD1 3.3Å; D1053-N1055 PolarHBondContact O-N 3.2Å; D1053-N1055 VanDerWaalsContact O-N 3.15Å; N1055-R1057 PolarHBondContact O-N 2.99Å; N1055-R1057 WeakPolarHBondContact OD1-CB 3.44Å; N1055-R1057 PolarHBondContact OD1-N 3.43Å; N1055-Y1346 PolarHBondContact ND2-OH 2.77Å; N1055-Y1346 PolarHBondContact OD1-OH 3.01Å
1056G91.7Very high95.9Very high5 Ų512.1 Ų12.15%0.0527%0.065CC..THydrogen-bonded Turntrans69.115.6175.700000115.3I1052 K1264I1052-G1056 WeakPolarHBondContact O-CA 3.43Å; I1052-G1056 PolarHBondContact O-N 2.85Å; G1056-K1264 WeakPolarHBondContact CA-O 3.21Å
1057R93.9Very high95.8Very high31 Ų3112.1 Ų12.112%0.1177%0.065CC..EExtended strand (participates in β ladder)trans-96.2152.3-175-63.8-173.5-175.2171.26.1111.3I1052 N1055 R1344 Y1346I1052-R1057 WeakPolarHBondContact CB-O 3.3Å; I1052-R1057 PolarHBondContact N-O 2.84Å; I1052-R1057 PolarHBondContact O-N 3.21Å; N1055-R1057 PolarHBondContact O-N 2.99Å; N1055-R1057 WeakPolarHBondContact OD1-CB 3.44Å; N1055-R1057 PolarHBondContact OD1-N 3.43Å; R1057-R1344 CarbonylContact C-O 3.39Å; R1057-R1344 VanDerWaalsContact CA-O 3.22Å; R1057-R1344 WeakPolarHBondContact CA-O 3.22Å; R1057-R1344 WeakPolarHBondContact CB-O 3.24Å; R1057-R1344 HydrophobicContact CG-CB 4.12Å; R1057-Y1346 HydrophobicContact CB-CD2 3.91Å; R1057-Y1346 HydrophobicContact CB-CE2 3.62Å
1058A95.9Very high95.6Very high0 Ų012.1 Ų12.10%07%0.065CC..EExtended strand (participates in β ladder)trans-92.9151.9167.800000111.4I1050 L1266 L1303 R1344 S1345 Y1346I1050-A1058 CarbonylContact O-C 3.56Å; I1050-A1058 VanDerWaalsContact O-CA 3.24Å; I1050-A1058 WeakPolarHBondContact O-CA 3.32Å; A1058-L1266 HydrophobicContact CB-CD1 4.21Å; A1058-L1266 HydrophobicContact CB-CD2 3.87Å; A1058-L1303 HydrophobicContact CB-CD1 3.25Å; A1058-L1303 HydrophobicContact CB-CD2 3.69Å; A1058-L1303 HydrophobicContact CB-CG 4.09Å; A1058-R1344 PolarHBondContact N-O 2.75Å; A1058-S1345 VanDerWaalsContact O-CA 3.25Å; A1058-S1345 WeakPolarHBondContact O-CA 3.35Å; A1058-S1345 PolarHBondContact O-OG 2.79Å; A1058-Y1346 WeakPolarHBondContact O-CD2 3.36Å; A1058-Y1346 PolarHBondContact O-N 3.4Å; A1058-Y1346 VanDerWaalsContact O-N 3.09Å
1059I96.6Very high95.5Very high0 Ų013.5 Ų13.50%07%0.071CC..EExtended strand (participates in β ladder)trans-137128.8174-170.2161.5000110.1L985 I1050 I1052 G1061 R1100 V1104 M1107 Y1346L985-I1059 HydrophobicContact CD2-CD1 3.92Å; I1050-I1059 HydrophobicContact CB-CG2 3.97Å; I1050-I1059 PolarHBondContact N-O 3.32Å; I1050-I1059 PolarHBondContact O-N 2.96Å; I1052-I1059 HydrophobicContact CD1-CG2 3.93Å; I1052-I1059 HydrophobicContact CG1-CG2 3.94Å; I1059-G1061 PolarHBondContact O-N 3.48Å; I1059-R1100 HydrophobicContact CD1-CG 3.81Å; I1059-R1100 HydrophobicContact CG1-CG 4.29Å; I1059-V1104 HydrophobicContact CD1-CG2 4.03Å; I1059-V1104 HydrophobicContact CG1-CG2 4.28Å; I1059-V1104 HydrophobicContact CG2-CG1 4.44Å; I1059-V1104 HydrophobicContact CG2-CG2 3.61Å; I1059-M1107 HydrophobicContact CD1-CE 3.89Å; I1059-Y1346 HydrophobicContact CB-CD2 3.8Å; I1059-Y1346 HydrophobicContact CB-CE2 4.47Å; I1059-Y1346 HydrophobicContact CB-CG 4.47Å; I1059-Y1346 HydrophobicContact CD1-CD2 4.02Å; I1059-Y1346 HydrophobicContact CD1-CG 4.02Å; I1059-Y1346 HydrophobicContact CG1-CD2 4.22Å; I1059-Y1346 HydrophobicContact CG1-CG 4.42Å
1060Q97.6Very high95.1Very high61 Ų6116.3 Ų16.329%0.2859%0.086SC..EExtended strand (participates in β ladder)trans-68.3120.6171.7178.5179.2-57.300108.8T1063 R1100Q1060-T1063 VanDerWaalsContact CD-CG2 3.47Å; Q1060-T1063 HydrophobicContact CG-CG2 3.98Å; Q1060-R1100 VanDerWaalsContact O-CD 3.27Å; Q1060-R1100 WeakPolarHBondContact O-CD 3.48Å
1061G97.6Very high94.7Very high5 Ų516.2 Ų16.25%0.0529%0.085CC..EExtended strand (participates in β ladder)trans-82.5-60.8178.800000112.5Y1020 V1048 I1059Y1020-G1061 WeakPolarHBondContact OH-CA 3.32Å; Y1020-G1061 PolarHBondContact OH-O 3.19Å; V1048-G1061 PolarHBondContact O-N 2.89Å; I1059-G1061 PolarHBondContact O-N 3.48Å
1062A98.3Very high94.6Very high3 Ų315.6 Ų15.63%0.0258%0.083CC..EExtended strand (participates in β ladder)trans-150.3157.5-177.200000110.7Y1016 T1047 V1048 G1096 L1097Y1016-A1062 HydrophobicContact CD1-CB 3.95Å; Y1016-A1062 HydrophobicContact CD2-CB 3.45Å; Y1016-A1062 VanDerWaalsContact CD2-CB 3.45Å; Y1016-A1062 HydrophobicContact CE1-CB 4.3Å; Y1016-A1062 HydrophobicContact CE2-CB 3.82Å; Y1016-A1062 HydrophobicContact CG-CB 3.5Å; T1047-A1062 WeakPolarHBondContact CA-O 3.43Å; V1048-A1062 HydrophobicContact CG2-CB 3.86Å; V1048-A1062 VanDerWaalsContact CG2-N 3.34Å; V1048-A1062 PolarHBondContact N-O 3.38Å; V1048-A1062 VanDerWaalsContact N-O 3.12Å; A1062-G1096 WeakPolarHBondContact CA-O 3.41Å; A1062-G1096 WeakPolarHBondContact CB-O 3.41Å; A1062-L1097 HydrophobicContact CB-CB 4.41Å; A1062-L1097 HydrophobicContact CB-CD1 3.65Å
1063T98.5Very high94.4Very high14 Ų1421.7 Ų21.79%0.08611%0.106CC..EExtended strand (participates in β ladder)trans-134.8147.6-179.447.20000112.5T1045 T1046 Q1060 H1065 W1095 G1096T1045-T1063 HydrophobicContact CG2-CG2 3.98Å; T1046-T1063 VanDerWaalsContact O-CA 3.29Å; T1046-T1063 WeakPolarHBondContact O-CA 3.49Å; Q1060-T1063 VanDerWaalsContact CD-CG2 3.47Å; Q1060-T1063 HydrophobicContact CG-CG2 3.98Å; T1063-H1065 WeakPolarHBondContact CB-CE1 3.22Å; T1063-H1065 PolarHBondContact OG1-CE1 3.1Å; T1063-H1065 PolarHBondContact OG1-NE2 3.12Å; T1063-W1095 CarbonylContact O-C 3.6Å; T1063-W1095 VanDerWaalsContact O-CA 3.27Å; T1063-W1095 WeakPolarHBondContact O-CA 3.28Å; T1063-W1095 WeakPolarHBondContact O-CB 3.23Å; T1063-G1096 PolarHBondContact N-O 3.34Å; T1063-G1096 PolarHBondContact O-N 2.78Å
1064S98.5Very high94.3Very high0 Ų020.2 Ų20.20%010%0.097CC..EExtended strand (participates in β ladder)trans-126.6130.1170.3-173.50000110.1V1009 T1045 T1046V1009-S1064 PolarHBondContact O-OG 3.13Å; T1045-S1064 WeakPolarHBondContact CA-O 3.37Å; T1046-S1064 PolarHBondContact N-O 3.05Å; T1046-S1064 PolarHBondContact O-N 3.21Å; T1046-S1064 PolarHBondContact OG1-O 3.44Å
1065H98Very high94.5Very high16 Ų1620.8 Ų20.87%0.07410%0.097CC..EExtended strand (participates in β ladder)trans-118.4124.1-166.8-47.6-71.2000109.3F1039 A1042 T1045 T1063 L1067 N1093 S1094F1039-H1065 VanDerWaalsContact CB-ND1 3.28Å; F1039-H1065 WeakPolarHBondContact CB-ND1 3.4Å; A1042-H1065 HydrophobicContact CB-CB 4.29Å; T1045-H1065 VanDerWaalsContact CG2-CE1 3.42Å; T1045-H1065 WeakPolarHBondContact CG2-CE1 3.14Å; T1045-H1065 WeakPolarHBondContact CG2-ND1 3.33Å; T1045-H1065 PolarHBondContact OG1-ND1 2.82Å; T1063-H1065 WeakPolarHBondContact CB-CE1 3.22Å; T1063-H1065 PolarHBondContact OG1-CE1 3.1Å; T1063-H1065 PolarHBondContact OG1-NE2 3.12Å; H1065-L1067 HydrophobicContact CB-CD2 3.87Å; H1065-L1067 PolarHBondContact O-N 2.83Å; H1065-N1093 VanDerWaalsContact O-CA 3.23Å; H1065-N1093 WeakPolarHBondContact O-CA 3.46Å; H1065-N1093 WeakPolarHBondContact O-CB 3.36Å; H1065-S1094 WeakPolarHBondContact CA-O 3.41Å; H1065-S1094 WeakPolarHBondContact CB-O 3.42Å; H1065-S1094 PolarHBondContact CD2-O 2.97Å; H1065-S1094 PolarHBondContact N-O 2.93Å; H1065-S1094 PolarHBondContact O-N 2.76Å; H1065-S1094 VanDerWaalsContact O-N 3.09Å
1066H98.6Very high94.8Very high0 Ų024.3 Ų24.30%012%0.116CC..EExtended strand (participates in β ladder)trans-86108162.7-17252.2000108.1V1009 A1042 D1043 Y1044 G1068 N1093V1009-H1066 HydrophobicContact CG2-CB 4.07Å; A1042-H1066 CarbonylContact C-O 3.52Å; A1042-H1066 WeakPolarHBondContact CB-O 3.16Å; D1043-H1066 PolarHBondContact N-O 3.12Å; D1043-H1066 IonicContact OD2-CD2 3.56Å; Y1044-H1066 HydrophobicContact CD1-CB 3.84Å; Y1044-H1066 HydrophobicContact CD2-CB 4.3Å; Y1044-H1066 HydrophobicContact CE1-CB 3.46Å; Y1044-H1066 VanDerWaalsContact CE1-CB 3.46Å; Y1044-H1066 AromaticContact CE1-CD2 3.68Å; Y1044-H1066 AromaticContact CE1-CG 3.8Å; Y1044-H1066 HydrophobicContact CE2-CB 3.94Å; Y1044-H1066 HydrophobicContact CG-CB 4.24Å; Y1044-H1066 VanDerWaalsContact CZ-CB 3.5Å; Y1044-H1066 PolarHBondContact N-O 2.78Å; Y1044-H1066 PolarHBondContact O-N 3.31Å; H1066-G1068 PolarHBondContact O-N 3.35Å; H1066-N1093 PolarHBondContact ND1-OD1 3.45Å
1067L96Very high95Very high0 Ų024 Ų240%011%0.114CC..EExtended strand (participates in β ladder)trans-82.2-8.5-178.4-56-177.2000112.7Y950 F1039 A1042 H1065 Q1069 N1070 F1071 Q1092Y950-L1067 HydrophobicContact CE2-CD1 4.23Å; Y950-L1067 WeakPolarHBondContact OH-CD1 3.47Å; F1039-L1067 HydrophobicContact CD1-CD2 3.86Å; F1039-L1067 HydrophobicContact CE1-CD2 4Å; A1042-L1067 HydrophobicContact CB-CD2 3.96Å; H1065-L1067 HydrophobicContact CB-CD2 3.87Å; H1065-L1067 PolarHBondContact O-N 2.83Å; L1067-Q1069 PolarHBondContact O-N 3.23Å; L1067-N1070 PolarHBondContact O-N 3.44Å; L1067-N1070 PolarHBondContact O-ND2 2.89Å; L1067-F1071 HydrophobicContact CB-CD2 4.02Å; L1067-F1071 HydrophobicContact CD1-CD2 3.9Å; L1067-F1071 HydrophobicContact CD1-CE2 4.25Å; L1067-F1071 HydrophobicContact CD1-CG 4.34Å; L1067-F1071 HydrophobicContact CD2-CD2 4.3Å; L1067-F1071 HydrophobicContact CD2-CE2 4.04Å; L1067-F1071 HydrophobicContact CG-CD2 4.31Å; L1067-Q1092 WeakPolarHBondContact CA-O 3.38Å; L1067-Q1092 HydrophobicContact CB-CB 4.18Å; L1067-Q1092 WeakPolarHBondContact CB-O 3.4Å; L1067-Q1092 HydrophobicContact CD1-CB 4.36Å; L1067-Q1092 PolarHBondContact N-O 2.68Å
1068G96.1Very high95.1Very high0 Ų024.2 Ų24.20%012%0.118CC..EExtended strand (participates in β ladder)trans58-130.8-174.900000110.1H1066 Y1091 Q1092H1066-G1068 PolarHBondContact O-N 3.35Å; G1068-Y1091 WeakPolarHBondContact O-CA 3.45Å; G1068-Q1092 PolarHBondContact O-N 2.83Å
1069Q95.7Very high95.1Very high29 Ų2924.5 Ų24.514%0.13612%0.119CC..THydrogen-bonded Turntrans-111.516.8176.8-75.6170.1-27.900112.4L1067 S1072 R1073 Y1089 V1090 Y1091L1067-Q1069 PolarHBondContact O-N 3.23Å; Q1069-S1072 VanDerWaalsContact CA-OG 3.23Å; Q1069-S1072 WeakPolarHBondContact CA-OG 3.25Å; Q1069-S1072 PolarHBondContact O-OG 3.44Å; Q1069-R1073 VanDerWaalsContact CB-NH1 3.32Å; Q1069-R1073 WeakPolarHBondContact O-CB 3.33Å; Q1069-R1073 VanDerWaalsContact O-CG 3.23Å; Q1069-R1073 WeakPolarHBondContact O-CG 3.23Å; Q1069-R1073 PolarHBondContact O-N 3.08Å; Q1069-R1073 VanDerWaalsContact O-N 3.14Å; Q1069-Y1089 PolarHBondContact NE2-O 3.35Å; Q1069-V1090 WeakPolarHBondContact CG-O 3.41Å; Q1069-Y1091 HydrophobicContact CG-CD1 3.89Å; Q1069-Y1091 HydrophobicContact CG-CE1 3.8Å; Q1069-Y1091 HydrophobicContact CG-CE2 4.48Å; Q1069-Y1091 HydrophobicContact CG-CG 4.24Å
1070N90.5Very high94.8Very high62 Ų6228.7 Ų28.733%0.33214%0.141SC..Hα-helixtrans-68.4-46.2-174.3-63.8-34.1000111.1G1041 D1043 L1067 M1074G1041-N1070 WeakPolarHBondContact O-CB 3.45Å; G1041-N1070 PolarHBondContact O-ND2 3.01Å; D1043-N1070 PolarHBondContact OD1-ND2 3.12Å; D1043-N1070 VanDerWaalsContact OD1-ND2 3.1Å; L1067-N1070 PolarHBondContact O-N 3.44Å; L1067-N1070 PolarHBondContact O-ND2 2.89Å; N1070-M1074 PolarHBondContact O-N 2.73Å
1071F90.8Very high94.2Very high0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-77.9-34.3178.4-73.6-98.5000112.3E946 Y950 F1039 L1067 R1073 M1074 F1075 Q1092E946-F1071 HydrophobicContact CB-CD1 4.3Å; E946-F1071 HydrophobicContact CB-CE1 4.05Å; E946-F1071 HydrophobicContact CG-CD1 4.39Å; E946-F1071 HydrophobicContact CG-CE1 4.06Å; Y950-F1071 HydrophobicContact CD2-CB 3.75Å; Y950-F1071 AromaticContact CD2-CD1 3.71Å; Y950-F1071 HydrophobicContact CD2-CD1 3.71Å; Y950-F1071 HydrophobicContact CD2-CG 4.07Å; Y950-F1071 HydrophobicContact CE2-CB 3.62Å; Y950-F1071 AromaticContact CE2-CD1 3.49Å; Y950-F1071 HydrophobicContact CE2-CD1 3.49Å; Y950-F1071 VanDerWaalsContact CE2-CD1 3.49Å; Y950-F1071 HydrophobicContact CE2-CE1 4.31Å; Y950-F1071 AromaticContact CE2-CG 3.68Å; Y950-F1071 HydrophobicContact CE2-CG 3.68Å; F1039-F1071 HydrophobicContact CE1-CE2 4.16Å; F1039-F1071 AromaticContact CE1-CZ 3.94Å; F1039-F1071 HydrophobicContact CE1-CZ 3.94Å; L1067-F1071 HydrophobicContact CB-CD2 4.02Å; L1067-F1071 HydrophobicContact CD1-CD2 3.9Å; L1067-F1071 HydrophobicContact CD1-CE2 4.25Å; L1067-F1071 HydrophobicContact CD1-CG 4.34Å; L1067-F1071 HydrophobicContact CD2-CD2 4.3Å; L1067-F1071 HydrophobicContact CD2-CE2 4.04Å; L1067-F1071 HydrophobicContact CG-CD2 4.31Å; F1071-R1073 VanDerWaalsContact C-N 3.34Å; F1071-R1073 PolarHBondContact O-N 3.12Å; F1071-M1074 WeakPolarHBondContact O-CB 3.42Å; F1071-M1074 PolarHBondContact O-N 3.17Å; F1071-M1074 VanDerWaalsContact O-N 3.08Å; F1071-F1075 HydrophobicContact CB-CD2 4.43Å; F1071-F1075 HydrophobicContact CD1-CD2 4.36Å; F1071-F1075 AromaticContact CD1-CE2 3.88Å; F1071-F1075 HydrophobicContact CD1-CE2 3.88Å; F1071-F1075 WeakPolarHBondContact O-CD2 3.43Å; F1071-F1075 PolarHBondContact O-N 3.11Å; F1071-Q1092 VanDerWaalsContact C-OE1 3.26Å; F1071-Q1092 VanDerWaalsContact CB-OE1 3.25Å
1072S94.7Very high93.6Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-68.3-36.518055.10000111.6Q1069 D1076 V1077 Y1089 V1090Q1069-S1072 VanDerWaalsContact CA-OG 3.23Å; Q1069-S1072 WeakPolarHBondContact CA-OG 3.25Å; Q1069-S1072 PolarHBondContact O-OG 3.44Å; S1072-D1076 CarbonylContact O-C 3.49Å; S1072-D1076 VanDerWaalsContact O-CA 3.24Å; S1072-D1076 WeakPolarHBondContact O-CA 3.5Å; S1072-D1076 PolarHBondContact O-N 3.3Å; S1072-V1077 PolarHBondContact O-N 3.3Å; S1072-Y1089 WeakPolarHBondContact O-CD1 3.39Å; S1072-V1090 VanDerWaalsContact CB-O 3.26Å; S1072-V1090 WeakPolarHBondContact CB-O 3.23Å; S1072-V1090 PolarHBondContact OG-O 3.35Å
1073R92Very high92.9Very high128 Ų12837.3 Ų37.348%0.48320%0.195SC..Hα-helixtrans-65.6-37.8168.7-71.3179.9-173.3109.94.4112.8Q1069 F1071 Y1089Q1069-R1073 VanDerWaalsContact CB-NH1 3.32Å; Q1069-R1073 WeakPolarHBondContact O-CB 3.33Å; Q1069-R1073 VanDerWaalsContact O-CG 3.23Å; Q1069-R1073 WeakPolarHBondContact O-CG 3.23Å; Q1069-R1073 PolarHBondContact O-N 3.08Å; Q1069-R1073 VanDerWaalsContact O-N 3.14Å; F1071-R1073 VanDerWaalsContact C-N 3.34Å; F1071-R1073 PolarHBondContact O-N 3.12Å; R1073-Y1089 HydrophobicContact CB-CE1 4.44Å; R1073-Y1089 HydrophobicContact CG-CD1 3.99Å; R1073-Y1089 HydrophobicContact CG-CD2 3.8Å; R1073-Y1089 HydrophobicContact CG-CE1 4.17Å; R1073-Y1089 HydrophobicContact CG-CE2 3.96Å; R1073-Y1089 HydrophobicContact CG-CG 3.82Å
1074M86.5Confident92.3Very high41 Ų4140.7 Ų40.720%0.20222%0.216CC..Hα-helixtrans-67.2-41.3-179.7-172.8-174.6-47.700112.4H916 V917 N1070 F1071H916-M1074 HydrophobicContact CB-CE 3.34Å; H916-M1074 HydrophobicContact CB-SD 4.16Å; V917-M1074 HydrophobicContact CG2-CE 4.33Å; N1070-M1074 PolarHBondContact O-N 2.73Å; F1071-M1074 WeakPolarHBondContact O-CB 3.42Å; F1071-M1074 PolarHBondContact O-N 3.17Å; F1071-M1074 VanDerWaalsContact O-N 3.08Å
1075F90.2Very high91.5Very high21 Ų2143.4 Ų43.49%0.09225%0.245CC..Hα-helixtrans-104.39.5-175.1-66.2-73.9000113.7T947 Y950 P951 F1071 V1077T947-F1075 HydrophobicContact CG2-CZ 4.05Å; Y950-F1075 AromaticContact CD2-CD2 3.85Å; Y950-F1075 HydrophobicContact CD2-CD2 3.85Å; Y950-F1075 HydrophobicContact CD2-CE2 4.06Å; Y950-F1075 HydrophobicContact CG-CD2 4.28Å; P951-F1075 HydrophobicContact CG-CD1 3.74Å; P951-F1075 HydrophobicContact CG-CE1 4.01Å; F1071-F1075 HydrophobicContact CB-CD2 4.43Å; F1071-F1075 HydrophobicContact CD1-CD2 4.36Å; F1071-F1075 AromaticContact CD1-CE2 3.88Å; F1071-F1075 HydrophobicContact CD1-CE2 3.88Å; F1071-F1075 WeakPolarHBondContact O-CD2 3.43Å; F1071-F1075 PolarHBondContact O-N 3.11Å; F1075-V1077 VanDerWaalsContact C-N 3.29Å; F1075-V1077 HydrophobicContact CB-CG2 4.04Å; F1075-V1077 PolarHBondContact O-N 2.92Å
1076D92.8Very high90.9Very high94 Ų9449.8 Ų49.850%0.50327%0.272SS..THydrogen-bonded Turntrans52.141.7-178.5-153.130.2000114.4S1072 T1078 Y1089S1072-D1076 CarbonylContact O-C 3.49Å; S1072-D1076 VanDerWaalsContact O-CA 3.24Å; S1072-D1076 WeakPolarHBondContact O-CA 3.5Å; S1072-D1076 PolarHBondContact O-N 3.3Å; D1076-T1078 PolarHBondContact O-N 3.19Å; D1076-T1078 VanDerWaalsContact O-N 3.09Å; D1076-Y1089 WeakPolarHBondContact OD1-CE1 3.4Å; D1076-Y1089 PolarHBondContact OD1-OH 3.44Å
1077V96.3Very high90.6Very high0 Ų054.3 Ų54.30%030%0.301CS..  trans-80.292.7176.6-167.60000108.4F953 A954 I957 S1072 F1075 V1090F953-V1077 HydrophobicContact CB-CG1 4.12Å; F953-V1077 HydrophobicContact CB-CG2 4.38Å; A954-V1077 HydrophobicContact CB-CB 4.48Å; A954-V1077 HydrophobicContact CB-CG2 4.03Å; I957-V1077 HydrophobicContact CD1-CG1 3.79Å; S1072-V1077 PolarHBondContact O-N 3.3Å; F1075-V1077 VanDerWaalsContact C-N 3.29Å; F1075-V1077 HydrophobicContact CB-CG2 4.04Å; F1075-V1077 PolarHBondContact O-N 2.92Å; V1077-V1090 HydrophobicContact CB-CG2 3.88Å; V1077-V1090 HydrophobicContact CG1-CG1 4.42Å; V1077-V1090 HydrophobicContact CG1-CG2 3.49Å; V1077-V1090 VanDerWaalsContact CG1-CG2 3.49Å; V1077-V1090 PolarHBondContact O-N 3.24Å
1078T96.8Very high90.5Very high34 Ų3455.4 Ų55.421%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-118.9163.5-177.959.40000112.2D1076 A1088 Y1089D1076-T1078 PolarHBondContact O-N 3.19Å; D1076-T1078 VanDerWaalsContact O-N 3.09Å; T1078-A1088 CarbonylContact C-O 3.49Å; T1078-A1088 WeakPolarHBondContact CA-O 3.46Å; T1078-A1088 WeakPolarHBondContact CB-O 3.36Å; T1078-Y1089 HydrophobicContact CG2-CD1 3.43Å; T1078-Y1089 VanDerWaalsContact CG2-CD1 3.43Å; T1078-Y1089 HydrophobicContact CG2-CE1 3.28Å; T1078-Y1089 HydrophobicContact CG2-CG 4.11Å
1079Y95.3Very high90.6Very high6 Ų659.2 Ų59.22%0.02433%0.325CS..EExtended strand (participates in β ladder)trans-142.6155.2172.673.9-80.7000110.7H960 L963 A1000 H1081 P1087 A1088 V1090H960-Y1079 HydrophobicContact CB-CD2 3.64Å; H960-Y1079 HydrophobicContact CB-CE2 3.81Å; L963-Y1079 HydrophobicContact CD1-CD1 3.66Å; L963-Y1079 HydrophobicContact CD1-CD2 4.06Å; L963-Y1079 HydrophobicContact CD1-CE1 4.03Å; L963-Y1079 HydrophobicContact CD1-CE2 4.39Å; L963-Y1079 HydrophobicContact CD1-CG 3.67Å; A1000-Y1079 HydrophobicContact CB-CE1 4.28Å; A1000-Y1079 HydrophobicContact CB-CE2 4.14Å; A1000-Y1079 WeakPolarHBondContact CB-OH 3.27Å; A1000-Y1079 PolarHBondContact O-OH 2.83Å; Y1079-H1081 HydrophobicContact CE2-CB 4.23Å; Y1079-H1081 PolarHBondContact O-N 3.08Å; Y1079-P1087 WeakPolarHBondContact O-CA 3.26Å; Y1079-A1088 HydrophobicContact CD1-CB 4.3Å; Y1079-A1088 WeakPolarHBondContact CD1-O 3.43Å; Y1079-A1088 HydrophobicContact CE1-CB 3.78Å; Y1079-A1088 PolarHBondContact N-O 3.05Å; Y1079-A1088 PolarHBondContact O-N 3.35Å; Y1079-V1090 HydrophobicContact CD1-CG1 3.67Å; Y1079-V1090 HydrophobicContact CE1-CG1 4.28Å
1080D89.3Confident90.7Very high88 Ų8857.8 Ų57.847%0.47132%0.319SS..EExtended strand (participates in β ladder)trans-73.4109.9172.7-71.3-26.7000111.5Q958 H960Q958-D1080 PolarHBondContact O-N 3.26Å; Q958-D1080 VanDerWaalsContact O-N 3.14Å; H960-D1080 PolarHBondContact ND1-O 3.45Å
1081H86.6Confident91.1Very high40 Ų4057.4 Ų57.419%0.18531%0.313CS..  trans-68.6126.8-178.4-175.6-60.5000111.3Y1079 V1083 T1084 G1085 K1086 A1088Y1079-H1081 HydrophobicContact CE2-CB 4.23Å; Y1079-H1081 PolarHBondContact O-N 3.08Å; H1081-V1083 VanDerWaalsContact C-N 3.34Å; H1081-V1083 PolarHBondContact ND1-N 2.85Å; H1081-V1083 VanDerWaalsContact ND1-N 3.14Å; H1081-V1083 PolarHBondContact O-N 2.71Å; H1081-T1084 WeakPolarHBondContact CB-OG1 3.44Å; H1081-T1084 PolarHBondContact ND1-N 2.77Å; H1081-T1084 PolarHBondContact O-N 3.25Å; H1081-G1085 VanDerWaalsContact O-CA 3.3Å; H1081-G1085 WeakPolarHBondContact O-CA 3.39Å; H1081-G1085 PolarHBondContact O-N 2.9Å; H1081-K1086 WeakPolarHBondContact CB-O 3.21Å; H1081-K1086 PolarHBondContact N-O 2.89Å; H1081-K1086 VanDerWaalsContact N-O 3.14Å; H1081-A1088 HydrophobicContact CB-CB 4.14Å
1082P84.4Confident91.5Very high82 Ų8257.4 Ų57.453%0.53231%0.313SS..THydrogen-bonded Turntrans-64.3-33.8-168.522.9-32.9000114H960H960-P1082 HydrophobicContact CB-CG 4.43Å
1083V84Confident91.7Very high128 Ų12857.4 Ų57.478%0.77631%0.313SS*.THydrogen-bonded Turntrans-84.3-46.5179.9-173.20000113.1H1081H1081-V1083 VanDerWaalsContact C-N 3.34Å; H1081-V1083 PolarHBondContact ND1-N 2.85Å; H1081-V1083 VanDerWaalsContact ND1-N 3.14Å; H1081-V1083 PolarHBondContact O-N 2.71Å
1084T84.9Confident91.9Very high85 Ų8551.5 Ų51.552%0.52129%0.291SS..THydrogen-bonded Turntrans-88.4-19.6-174.266.20000113.2H1081 K1086H1081-T1084 WeakPolarHBondContact CB-OG1 3.44Å; H1081-T1084 PolarHBondContact ND1-N 2.77Å; H1081-T1084 PolarHBondContact O-N 3.25Å; T1084-K1086 PolarHBondContact O-N 3.44Å; T1084-K1086 PolarHBondContact OG1-N 2.82Å
1085G82.1Confident92.5Very high58 Ų5849.6 Ų49.660%0.59828%0.282SS*.  trans65.68.2-174.400000114.4H1081H1081-G1085 VanDerWaalsContact O-CA 3.3Å; H1081-G1085 WeakPolarHBondContact O-CA 3.39Å; H1081-G1085 PolarHBondContact O-N 2.9Å
1086K86.5Confident92.8Very high150 Ų15049 Ų4965%0.65228%0.282SS*.SBendtrans-100.5150.8-179-66.1-178.1-178.8-1800110.6H1081 T1084 A1088H1081-K1086 WeakPolarHBondContact CB-O 3.21Å; H1081-K1086 PolarHBondContact N-O 2.89Å; H1081-K1086 VanDerWaalsContact N-O 3.14Å; T1084-K1086 PolarHBondContact O-N 3.44Å; T1084-K1086 PolarHBondContact OG1-N 2.82Å; K1086-A1088 PolarHBondContact O-N 3.27Å
1087P91.5Very high93.1Very high94 Ų9444.6 Ų44.661%0.6126%0.258SS*.EExtended strand (participates in β ladder)trans-56.6129.4169.6-2534.4000111.2Y1079Y1079-P1087 WeakPolarHBondContact O-CA 3.26Å
1088A94.4Very high93.1Very high23 Ų2345.9 Ų45.919%0.1927%0.266CS..EExtended strand (participates in β ladder)trans-125.8144.4175.900000110.3T1078 Y1079 H1081 K1086T1078-A1088 CarbonylContact C-O 3.49Å; T1078-A1088 WeakPolarHBondContact CA-O 3.46Å; T1078-A1088 WeakPolarHBondContact CB-O 3.36Å; Y1079-A1088 HydrophobicContact CD1-CB 4.3Å; Y1079-A1088 WeakPolarHBondContact CD1-O 3.43Å; Y1079-A1088 HydrophobicContact CE1-CB 3.78Å; Y1079-A1088 PolarHBondContact N-O 3.05Å; Y1079-A1088 PolarHBondContact O-N 3.35Å; H1081-A1088 HydrophobicContact CB-CB 4.14Å; K1086-A1088 PolarHBondContact O-N 3.27Å
1089Y97.6Very high93.2Very high80 Ų8044.5 Ų44.531%0.31426%0.258SS..EExtended strand (participates in β ladder)trans-78.8136.4177.1-71.1-72.4000111.2Q1069 S1072 R1073 D1076 T1078Q1069-Y1089 PolarHBondContact NE2-O 3.35Å; S1072-Y1089 WeakPolarHBondContact O-CD1 3.39Å; R1073-Y1089 HydrophobicContact CB-CE1 4.44Å; R1073-Y1089 HydrophobicContact CG-CD1 3.99Å; R1073-Y1089 HydrophobicContact CG-CD2 3.8Å; R1073-Y1089 HydrophobicContact CG-CE1 4.17Å; R1073-Y1089 HydrophobicContact CG-CE2 3.96Å; R1073-Y1089 HydrophobicContact CG-CG 3.82Å; D1076-Y1089 WeakPolarHBondContact OD1-CE1 3.4Å; D1076-Y1089 PolarHBondContact OD1-OH 3.44Å; T1078-Y1089 HydrophobicContact CG2-CD1 3.43Å; T1078-Y1089 VanDerWaalsContact CG2-CD1 3.43Å; T1078-Y1089 HydrophobicContact CG2-CE1 3.28Å; T1078-Y1089 HydrophobicContact CG2-CG 4.11Å
1090V98.3Very high93.3Very high0 Ų046.4 Ų46.40%027%0.265CS..PPolyproline II helixtrans-72.1150.8176.4-59.20000111.9I957 L963 A998 F999 Q1069 S1072 V1077 Y1079 Q1092I957-V1090 HydrophobicContact CG2-CG1 4.24Å; L963-V1090 HydrophobicContact CD1-CG1 3.78Å; L963-V1090 HydrophobicContact CD2-CG1 3.95Å; A998-V1090 HydrophobicContact CB-CB 4.11Å; A998-V1090 HydrophobicContact CB-CG2 3.88Å; F999-V1090 CarbonylContact O-C 3.58Å; F999-V1090 WeakPolarHBondContact O-CA 3.48Å; Q1069-V1090 WeakPolarHBondContact CG-O 3.41Å; S1072-V1090 VanDerWaalsContact CB-O 3.26Å; S1072-V1090 WeakPolarHBondContact CB-O 3.23Å; S1072-V1090 PolarHBondContact OG-O 3.35Å; V1077-V1090 HydrophobicContact CB-CG2 3.88Å; V1077-V1090 HydrophobicContact CG1-CG1 4.42Å; V1077-V1090 HydrophobicContact CG1-CG2 3.49Å; V1077-V1090 VanDerWaalsContact CG1-CG2 3.49Å; V1077-V1090 PolarHBondContact O-N 3.24Å; Y1079-V1090 HydrophobicContact CD1-CG1 3.67Å; Y1079-V1090 HydrophobicContact CE1-CG1 4.28Å; V1090-Q1092 HydrophobicContact CG2-CG 3.81Å
1091Y98.6Very high93.7Very high53 Ų5342.2 Ų42.221%0.20824%0.242CC..EExtended strand (participates in β ladder)trans-88.1127.2167.1-69.6-87.5000109.6A998 F999 A1000 K1002 G1068 Q1069A998-Y1091 CarbonylContact C-O 3.47Å; A998-Y1091 WeakPolarHBondContact CA-O 3.35Å; F999-Y1091 PolarHBondContact N-O 3Å; F999-Y1091 PolarHBondContact O-N 2.82Å; A1000-Y1091 WeakPolarHBondContact O-CD2 3.38Å; K1002-Y1091 HydrophobicContact CB-CD1 3.8Å; K1002-Y1091 HydrophobicContact CB-CD2 4.14Å; K1002-Y1091 HydrophobicContact CB-CE1 3.64Å; K1002-Y1091 HydrophobicContact CB-CE2 3.97Å; K1002-Y1091 HydrophobicContact CB-CG 4.06Å; K1002-Y1091 HydrophobicContact CD-CD1 4.41Å; K1002-Y1091 HydrophobicContact CD-CE1 3.94Å; K1002-Y1091 HydrophobicContact CG-CD1 3.92Å; K1002-Y1091 HydrophobicContact CG-CE1 3.87Å; G1068-Y1091 WeakPolarHBondContact O-CA 3.45Å; Q1069-Y1091 HydrophobicContact CG-CD1 3.89Å; Q1069-Y1091 HydrophobicContact CG-CE1 3.8Å; Q1069-Y1091 HydrophobicContact CG-CE2 4.48Å; Q1069-Y1091 HydrophobicContact CG-CG 4.24Å
1092Q98.3Very high94.3Very high0 Ų040.4 Ų40.40%023%0.234CC..EExtended strand (participates in β ladder)trans-114.5149.7-173.2-62177.4-77.800112.7T997 A998 L1067 G1068 F1071 V1090T997-Q1092 WeakPolarHBondContact O-CA 3.25Å; A998-Q1092 HydrophobicContact CB-CG 4.4Å; L1067-Q1092 WeakPolarHBondContact CA-O 3.38Å; L1067-Q1092 HydrophobicContact CB-CB 4.18Å; L1067-Q1092 WeakPolarHBondContact CB-O 3.4Å; L1067-Q1092 HydrophobicContact CD1-CB 4.36Å; L1067-Q1092 PolarHBondContact N-O 2.68Å; G1068-Q1092 PolarHBondContact O-N 2.83Å; F1071-Q1092 VanDerWaalsContact C-OE1 3.26Å; F1071-Q1092 VanDerWaalsContact CB-OE1 3.25Å; V1090-Q1092 HydrophobicContact CG2-CG 3.81Å
1093N98.5Very high94.9Very high0 Ų036.5 Ų36.50%021%0.208CC..EExtended strand (participates in β ladder)trans-122155.1165.1-54.4-38.8000110.9H996 T997 A1005 E1008 V1009 H1065 H1066H996-N1093 WeakPolarHBondContact CA-O 3.4Å; T997-N1093 PolarHBondContact N-O 3.34Å; T997-N1093 VanDerWaalsContact N-O 3.11Å; T997-N1093 PolarHBondContact O-N 2.82Å; T997-N1093 VanDerWaalsContact O-N 3.07Å; T997-N1093 WeakPolarHBondContact OG1-CB 3.38Å; A1005-N1093 PolarHBondContact O-ND2 3.38Å; A1005-N1093 PolarHBondContact O-OD1 3Å; E1008-N1093 PolarHBondContact OE1-ND2 2.95Å; V1009-N1093 HydrophobicContact CG2-CB 4.18Å; V1009-N1093 WeakPolarHBondContact CG2-OD1 3.34Å; H1065-N1093 VanDerWaalsContact O-CA 3.23Å; H1065-N1093 WeakPolarHBondContact O-CA 3.46Å; H1065-N1093 WeakPolarHBondContact O-CB 3.36Å; H1066-N1093 PolarHBondContact ND1-OD1 3.45Å
1094S97.5Very high95.6Very high4 Ų430.4 Ų30.43%0.02817%0.172CC..EExtended strand (participates in β ladder)trans-135143167.41700000108.1E946 G995 H996 H1065E946-S1094 PolarHBondContact OE1-OG 3.38Å; G995-S1094 CarbonylContact O-C 3.58Å; G995-S1094 VanDerWaalsContact O-CA 3.26Å; G995-S1094 WeakPolarHBondContact O-CA 3.47Å; H996-S1094 PolarHBondContact CE1-OG 2.99Å; H1065-S1094 WeakPolarHBondContact CA-O 3.41Å; H1065-S1094 WeakPolarHBondContact CB-O 3.42Å; H1065-S1094 PolarHBondContact CD2-O 2.97Å; H1065-S1094 PolarHBondContact N-O 2.93Å; H1065-S1094 PolarHBondContact O-N 2.76Å; H1065-S1094 VanDerWaalsContact O-N 3.09Å
1095W98.2Very high96.3Very high2 Ų226.4 Ų26.41%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-152146.7179.836.1-91.6000110.9L891 I896 N968 E994 G995 T997 I1012 Y1016 T1063L891-W1095 HydrophobicContact CD1-CH2 4.06Å; L891-W1095 HydrophobicContact CD1-CZ3 4.18Å; L891-W1095 HydrophobicContact CD2-CH2 3.49Å; L891-W1095 VanDerWaalsContact CD2-CH2 3.49Å; L891-W1095 HydrophobicContact CD2-CZ2 4.34Å; L891-W1095 HydrophobicContact CD2-CZ3 3.92Å; L891-W1095 HydrophobicContact CG-CH2 4.44Å; I896-W1095 HydrophobicContact CD1-CH2 4.14Å; I896-W1095 HydrophobicContact CD1-CZ2 3.84Å; I896-W1095 HydrophobicContact CG2-CH2 4.25Å; I896-W1095 HydrophobicContact CG2-CZ2 4.33Å; N968-W1095 HydrophobicContact CB-CH2 4.24Å; E994-W1095 CarbonylContact C-O 3.49Å; E994-W1095 VanDerWaalsContact CA-O 3.29Å; E994-W1095 WeakPolarHBondContact CA-O 3.39Å; G995-W1095 PolarHBondContact N-O 3.48Å; G995-W1095 PolarHBondContact O-N 2.75Å; T997-W1095 HydrophobicContact CG2-CZ2 4.47Å; I1012-W1095 HydrophobicContact CB-CD2 4.49Å; I1012-W1095 HydrophobicContact CB-CG 4.38Å; I1012-W1095 HydrophobicContact CD1-CD2 4.01Å; I1012-W1095 HydrophobicContact CD1-CE3 4.2Å; I1012-W1095 HydrophobicContact CD1-CH2 3.99Å; I1012-W1095 HydrophobicContact CD1-CZ2 3.76Å; I1012-W1095 HydrophobicContact CD1-CZ3 4.16Å; I1012-W1095 HydrophobicContact CG1-CD2 4.08Å; I1012-W1095 HydrophobicContact CG1-CG 4.24Å; I1012-W1095 HydrophobicContact CG1-CZ2 4.39Å; I1012-W1095 HydrophobicContact CG2-CB 3.71Å; I1012-W1095 HydrophobicContact CG2-CD2 3.7Å; I1012-W1095 HydrophobicContact CG2-CE3 3.9Å; I1012-W1095 HydrophobicContact CG2-CG 3.61Å; Y1016-W1095 HydrophobicContact CE2-CB 4.15Å; T1063-W1095 CarbonylContact O-C 3.6Å; T1063-W1095 VanDerWaalsContact O-CA 3.27Å; T1063-W1095 WeakPolarHBondContact O-CA 3.28Å; T1063-W1095 WeakPolarHBondContact O-CB 3.23Å
1096G97.5Very high97Very high9 Ų923.7 Ų23.79%0.09312%0.119CC..EExtended strand (participates in β ladder)trans-153.9153.4-176.600000118Q993 Y1016 A1062 T1063Q993-G1096 CarbonylContact O-C 3.47Å; Q993-G1096 WeakPolarHBondContact O-CA 3.43Å; Y1016-G1096 WeakPolarHBondContact OH-CA 3.36Å; Y1016-G1096 PolarHBondContact OH-N 3.42Å; A1062-G1096 WeakPolarHBondContact CA-O 3.41Å; A1062-G1096 WeakPolarHBondContact CB-O 3.41Å; T1063-G1096 PolarHBondContact N-O 3.34Å; T1063-G1096 PolarHBondContact O-N 2.78Å
1097L98.1Very high97.6Very high1 Ų116.5 Ų16.51%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-139.5140.8180-178.682.8000110.4I883 W992 Q993 Y1016 Y1020 A1062 T1101I883-L1097 HydrophobicContact CG2-CD2 3.69Å; W992-L1097 VanDerWaalsContact CD1-O 3.26Å; Q993-L1097 HydrophobicContact CB-CB 4.4Å; Q993-L1097 PolarHBondContact N-O 3.08Å; Q993-L1097 PolarHBondContact O-N 3.33Å; Y1016-L1097 HydrophobicContact CD1-CB 4.27Å; Y1016-L1097 HydrophobicContact CD1-CD1 4.26Å; Y1016-L1097 HydrophobicContact CE1-CB 3.63Å; Y1016-L1097 HydrophobicContact CE1-CD1 4.45Å; Y1016-L1097 HydrophobicContact CE1-CD2 4.43Å; Y1016-L1097 HydrophobicContact CE1-CG 4.4Å; Y1020-L1097 HydrophobicContact CE2-CD1 4.14Å; A1062-L1097 HydrophobicContact CB-CB 4.41Å; A1062-L1097 HydrophobicContact CB-CD1 3.65Å; L1097-T1101 WeakPolarHBondContact CD1-OG1 3.44Å
1098T97.9Very high97.9Very high26 Ų2613.3 Ų13.316%0.167%0.066CC..EExtended strand (participates in β ladder)trans-129.9173.5-174.366.40000112.7W880 F990 L991 W992 R1100 T1101W880-T1098 WeakPolarHBondContact CZ3-O 3.3Å; F990-T1098 HydrophobicContact CD2-CG2 3.86Å; F990-T1098 HydrophobicContact CE2-CG2 3.65Å; L991-T1098 WeakPolarHBondContact O-CA 3.5Å; W992-T1098 HydrophobicContact CB-CG2 4.18Å; W992-T1098 HydrophobicContact CG-CG2 3.91Å; T1098-R1100 PolarHBondContact O-N 2.64Å; T1098-R1100 VanDerWaalsContact OG1-CB 3.23Å; T1098-R1100 WeakPolarHBondContact OG1-CB 3.34Å; T1098-R1100 PolarHBondContact OG1-N 3.29Å; T1098-T1101 WeakPolarHBondContact O-CB 3.43Å; T1098-T1101 PolarHBondContact O-N 3.06Å; T1098-T1101 PolarHBondContact O-OG1 2.99Å
1099T97.8Very high98.1Very high6 Ų613.1 Ų13.14%0.0376%0.061CC..THydrogen-bonded Turntrans-60-9172.852.10000114.5L872 W880 L991 T1101 L1102L872-T1099 HydrophobicContact CD1-CG2 4.36Å; W880-T1099 HydrophobicContact CD2-CG2 3.89Å; W880-T1099 HydrophobicContact CE3-CG2 3.87Å; W880-T1099 HydrophobicContact CG-CG2 4.46Å; W880-T1099 HydrophobicContact CH2-CG2 4.3Å; W880-T1099 HydrophobicContact CZ2-CG2 4.29Å; W880-T1099 HydrophobicContact CZ3-CG2 4.1Å; L991-T1099 HydrophobicContact CB-CG2 3.67Å; L991-T1099 HydrophobicContact CD1-CG2 4.18Å; L991-T1099 HydrophobicContact CG-CG2 4.03Å; L991-T1099 PolarHBondContact O-N 3.35Å; L991-T1099 VanDerWaalsContact O-N 3.13Å; T1099-T1101 PolarHBondContact O-N 2.94Å; T1099-T1101 VanDerWaalsContact O-N 3.17Å; T1099-L1102 WeakPolarHBondContact O-CB 3.22Å; T1099-L1102 PolarHBondContact O-N 2.92Å
1100R97.5Very high98.1Very high46 Ų469.4 Ų9.417%0.1745%0.047CC..Hα-helixtrans-50.5-33163.6-178.4179.7-72.3-159.5-0.8113F984 L985 I1059 Q1060 T1098 L1102 G1103 V1104F984-R1100 WeakPolarHBondContact O-CA 3.33Å; F984-R1100 WeakPolarHBondContact O-CB 3.38Å; F984-R1100 PolarHBondContact O-N 2.99Å; L985-R1100 VanDerWaalsContact O-CZ 3.23Å; L985-R1100 PolarHBondContact O-NE 3.35Å; L985-R1100 PolarHBondContact O-NH2 3.34Å; I1059-R1100 HydrophobicContact CD1-CG 3.81Å; I1059-R1100 HydrophobicContact CG1-CG 4.29Å; Q1060-R1100 VanDerWaalsContact O-CD 3.27Å; Q1060-R1100 WeakPolarHBondContact O-CD 3.48Å; T1098-R1100 PolarHBondContact O-N 2.64Å; T1098-R1100 VanDerWaalsContact OG1-CB 3.23Å; T1098-R1100 WeakPolarHBondContact OG1-CB 3.34Å; T1098-R1100 PolarHBondContact OG1-N 3.29Å; R1100-L1102 PolarHBondContact O-N 2.85Å; R1100-G1103 CarbonylContact O-C 3.54Å; R1100-G1103 WeakPolarHBondContact O-CA 3.12Å; R1100-G1103 PolarHBondContact O-N 2.7Å; R1100-V1104 HydrophobicContact CG-CG2 4.32Å; R1100-V1104 WeakPolarHBondContact O-CG2 3.3Å; R1100-V1104 PolarHBondContact O-N 3.22Å
1101T98.6Very high98Very high0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-53.7-37.7173.9-570000112.6I883 V1019 Y1020 L1024 L1097 T1098 T1099 V1104 L1105I883-T1101 HydrophobicContact CD1-CG2 3.78Å; V1019-T1101 HydrophobicContact CG1-CG2 4.37Å; Y1020-T1101 HydrophobicContact CE1-CG2 3.84Å; Y1020-T1101 HydrophobicContact CE2-CG2 4.49Å; Y1020-T1101 PolarHBondContact OH-OG1 2.78Å; L1024-T1101 HydrophobicContact CD1-CG2 3.28Å; L1097-T1101 WeakPolarHBondContact CD1-OG1 3.44Å; T1098-T1101 WeakPolarHBondContact O-CB 3.43Å; T1098-T1101 PolarHBondContact O-N 3.06Å; T1098-T1101 PolarHBondContact O-OG1 2.99Å; T1099-T1101 PolarHBondContact O-N 2.94Å; T1099-T1101 VanDerWaalsContact O-N 3.17Å; T1101-V1104 PolarHBondContact O-N 3.5Å; T1101-L1105 PolarHBondContact O-N 2.89Å
1102L98.5Very high97.9Very high1 Ų112.5 Ų12.51%0.0057%0.067CC..Hα-helixtrans-68.5-42.4173.7-55.2-175.2000111.2A876 M879 W880 I883 F984 T1099 R1100 V1104 L1105 I1106A876-L1102 HydrophobicContact CB-CD1 4.5Å; M879-L1102 HydrophobicContact CB-CD2 3.87Å; M879-L1102 HydrophobicContact CE-CD2 4.24Å; W880-L1102 HydrophobicContact CB-CD1 4.3Å; I883-L1102 HydrophobicContact CD1-CD2 3.7Å; F984-L1102 HydrophobicContact CD1-CB 4.06Å; F984-L1102 HydrophobicContact CD1-CD1 4.28Å; F984-L1102 HydrophobicContact CE1-CB 4.23Å; F984-L1102 HydrophobicContact CE1-CD1 3.8Å; F984-L1102 HydrophobicContact CG-CB 4.45Å; F984-L1102 HydrophobicContact CZ-CD1 4.49Å; T1099-L1102 WeakPolarHBondContact O-CB 3.22Å; T1099-L1102 PolarHBondContact O-N 2.92Å; R1100-L1102 PolarHBondContact O-N 2.85Å; L1102-V1104 VanDerWaalsContact C-N 3.31Å; L1102-V1104 PolarHBondContact O-N 2.97Å; L1102-L1105 WeakPolarHBondContact O-CB 3.29Å; L1102-L1105 PolarHBondContact O-N 2.6Å; L1102-I1106 WeakPolarHBondContact O-CB 3.34Å; L1102-I1106 VanDerWaalsContact O-CD1 3.24Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.44Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.2Å; L1102-I1106 PolarHBondContact O-N 3.36Å
1103G97.6Very high97.7Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-58-42.9174.600000112.7Y851 R1100 I1106 M1107Y851-G1103 WeakPolarHBondContact OH-CA 3.02Å; R1100-G1103 CarbonylContact O-C 3.54Å; R1100-G1103 WeakPolarHBondContact O-CA 3.12Å; R1100-G1103 PolarHBondContact O-N 2.7Å; G1103-I1106 PolarHBondContact O-N 2.99Å; G1103-M1107 WeakPolarHBondContact O-CB 3.15Å; G1103-M1107 VanDerWaalsContact O-CG 3.27Å; G1103-M1107 WeakPolarHBondContact O-CG 3.49Å; G1103-M1107 PolarHBondContact O-N 2.95Å
1104V98.5Very high97.6Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-59.9-52.5174.4176.60000111.1Y1020 V1026 I1050 I1059 R1100 T1101 L1102 I1106 M1107 V1108Y1020-V1104 HydrophobicContact CD1-CG1 4.33Å; Y1020-V1104 HydrophobicContact CE1-CB 4.03Å; Y1020-V1104 HydrophobicContact CE1-CG1 3.81Å; Y1020-V1104 HydrophobicContact CE1-CG2 4.39Å; V1026-V1104 HydrophobicContact CG1-CG1 4.11Å; I1050-V1104 HydrophobicContact CB-CG1 4.09Å; I1050-V1104 HydrophobicContact CG1-CG1 4.18Å; I1050-V1104 HydrophobicContact CG2-CG1 3.69Å; I1059-V1104 HydrophobicContact CD1-CG2 4.03Å; I1059-V1104 HydrophobicContact CG1-CG2 4.28Å; I1059-V1104 HydrophobicContact CG2-CG1 4.44Å; I1059-V1104 HydrophobicContact CG2-CG2 3.61Å; R1100-V1104 HydrophobicContact CG-CG2 4.32Å; R1100-V1104 WeakPolarHBondContact O-CG2 3.3Å; R1100-V1104 PolarHBondContact O-N 3.22Å; T1101-V1104 PolarHBondContact O-N 3.5Å; L1102-V1104 VanDerWaalsContact C-N 3.31Å; L1102-V1104 PolarHBondContact O-N 2.97Å; V1104-I1106 VanDerWaalsContact C-N 3.26Å; V1104-I1106 PolarHBondContact O-N 3.43Å; V1104-M1107 PolarHBondContact O-N 3.45Å; V1104-V1108 HydrophobicContact CG1-CG2 4.14Å; V1104-V1108 WeakPolarHBondContact O-CB 3.47Å; V1104-V1108 VanDerWaalsContact O-CG2 3.31Å; V1104-V1108 WeakPolarHBondContact O-CG2 3.31Å; V1104-V1108 PolarHBondContact O-N 2.89Å
1105L98.6Very high97.6Very high1 Ų117.8 Ų17.81%0.0059%0.09CC..Hα-helixtrans-52.2-47.8178.1175.579.4000111.5M879 L1024 T1101 L1102 H1109 L1117 P1118 V1121M879-L1105 HydrophobicContact CE-CD2 3.23Å; L1024-L1105 HydrophobicContact CB-CD1 3.78Å; L1024-L1105 HydrophobicContact CD2-CD1 4.08Å; L1024-L1105 HydrophobicContact CD2-CD2 4.31Å; L1024-L1105 HydrophobicContact CG-CD1 4.42Å; L1024-L1105 WeakPolarHBondContact O-CD1 3.26Å; T1101-L1105 PolarHBondContact O-N 2.89Å; L1102-L1105 WeakPolarHBondContact O-CB 3.29Å; L1102-L1105 PolarHBondContact O-N 2.6Å; L1105-H1109 PolarHBondContact O-N 3.03Å; L1105-H1109 VanDerWaalsContact O-N 3.1Å; L1105-L1117 HydrophobicContact CD2-CD2 4.01Å; L1105-P1118 HydrophobicContact CD1-CG 3.63Å; L1105-V1121 HydrophobicContact CD2-CG1 4.07Å
1106I98.1Very high97.7Very high1 Ų118 Ų181%0.0059%0.091CC..Hα-helixtrans-61.8-51.4-178.8-66.7159.2000110.3Y851 L854 I855 L860 F984 L1102 G1103 V1104 V1108 S1110 L1115Y851-I1106 HydrophobicContact CD2-CG2 4.12Å; Y851-I1106 HydrophobicContact CE2-CB 4.16Å; Y851-I1106 HydrophobicContact CE2-CG2 3.7Å; L854-I1106 HydrophobicContact CD2-CG2 3.37Å; L854-I1106 HydrophobicContact CG-CG2 4.28Å; I855-I1106 HydrophobicContact CG2-CD1 4.24Å; L860-I1106 HydrophobicContact CD1-CD1 3.44Å; L860-I1106 VanDerWaalsContact CD1-CD1 3.44Å; L860-I1106 HydrophobicContact CD1-CG1 4.07Å; F984-I1106 HydrophobicContact CD2-CD1 4.11Å; F984-I1106 HydrophobicContact CE2-CD1 4.11Å; L1102-I1106 WeakPolarHBondContact O-CB 3.34Å; L1102-I1106 VanDerWaalsContact O-CD1 3.24Å; L1102-I1106 WeakPolarHBondContact O-CD1 3.44Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.2Å; L1102-I1106 PolarHBondContact O-N 3.36Å; G1103-I1106 PolarHBondContact O-N 2.99Å; V1104-I1106 VanDerWaalsContact C-N 3.26Å; V1104-I1106 PolarHBondContact O-N 3.43Å; I1106-V1108 VanDerWaalsContact C-N 3.35Å; I1106-V1108 PolarHBondContact O-N 3.47Å; I1106-S1110 WeakPolarHBondContact O-CB 3.35Å; I1106-S1110 PolarHBondContact O-N 3.23Å; I1106-S1110 PolarHBondContact O-OG 3.16Å; I1106-L1115 HydrophobicContact CG1-CD2 4.06Å; I1106-L1115 HydrophobicContact CG2-CD2 4.15Å
1107M98Very high97.7Very high0 Ų017.8 Ų17.80%09%0.088CC..Hα-helixtrans-65.2-34.7-177.7-71.3-172.1-56.800113.2K843 F847 Y851 L985 I1052 I1059 G1103 V1104 Y1346K843-M1107 WeakPolarHBondContact CE-O 3.25Å; K843-M1107 PolarHBondContact NZ-O 2.97Å; F847-M1107 HydrophobicContact CE1-CG 4.15Å; F847-M1107 HydrophobicContact CE1-SD 3.76Å; F847-M1107 HydrophobicContact CZ-CB 4.01Å; F847-M1107 HydrophobicContact CZ-CG 3.69Å; F847-M1107 HydrophobicContact CZ-SD 3.73Å; Y851-M1107 HydrophobicContact CD2-CG 3.69Å; Y851-M1107 HydrophobicContact CD2-SD 4.5Å; Y851-M1107 HydrophobicContact CE2-CG 3.52Å; Y851-M1107 HydrophobicContact CE2-SD 4.32Å; L985-M1107 HydrophobicContact CD1-CE 4.14Å; L985-M1107 HydrophobicContact CD1-SD 3.77Å; L985-M1107 HydrophobicContact CD2-CE 3.42Å; L985-M1107 VanDerWaalsContact CD2-CE 3.42Å; L985-M1107 HydrophobicContact CD2-SD 4.03Å; L985-M1107 HydrophobicContact CG-CE 4.44Å; I1052-M1107 HydrophobicContact CD1-CB 3.97Å; I1052-M1107 HydrophobicContact CD1-CE 3.87Å; I1052-M1107 HydrophobicContact CG1-CE 3.97Å; I1052-M1107 HydrophobicContact CG2-CB 3.9Å; I1052-M1107 HydrophobicContact CG2-SD 4.33Å; I1059-M1107 HydrophobicContact CD1-CE 3.89Å; G1103-M1107 WeakPolarHBondContact O-CB 3.15Å; G1103-M1107 VanDerWaalsContact O-CG 3.27Å; G1103-M1107 WeakPolarHBondContact O-CG 3.49Å; G1103-M1107 PolarHBondContact O-N 2.95Å; V1104-M1107 PolarHBondContact O-N 3.45Å; M1107-Y1346 HydrophobicContact CE-CE2 4.18Å; M1107-Y1346 HydrophobicContact SD-CE1 4.15Å; M1107-Y1346 HydrophobicContact SD-CE2 4.38Å; M1107-Y1346 PolarHBondContact SD-OH 3.16Å
1108V98.2Very high97.7Very high26 Ų2617.7 Ų17.716%0.1589%0.088CC..Hα-helixtrans-71.7-55.4178.9172.40000110.4K843 V1026 I1050 I1052 V1104 I1106 A1240K843-V1108 PolarHBondContact NZ-O 3.46Å; V1026-V1108 HydrophobicContact CG1-CG2 4.14Å; V1026-V1108 HydrophobicContact CG2-CB 4.24Å; V1026-V1108 HydrophobicContact CG2-CG1 4.19Å; V1026-V1108 HydrophobicContact CG2-CG2 4.37Å; I1050-V1108 HydrophobicContact CG2-CG2 4.1Å; I1052-V1108 HydrophobicContact CD1-CG2 3.73Å; V1104-V1108 HydrophobicContact CG1-CG2 4.14Å; V1104-V1108 WeakPolarHBondContact O-CB 3.47Å; V1104-V1108 VanDerWaalsContact O-CG2 3.31Å; V1104-V1108 WeakPolarHBondContact O-CG2 3.31Å; V1104-V1108 PolarHBondContact O-N 2.89Å; I1106-V1108 VanDerWaalsContact C-N 3.35Å; I1106-V1108 PolarHBondContact O-N 3.47Å; V1108-A1240 HydrophobicContact CG1-CB 3.85Å
1109H98.4Very high97.8Very high19 Ų1916.6 Ų16.69%0.0888%0.081CC..Hα-helixtrans-92.9-33.7-165.9-68.2-54.9000115.5L1024 A1025 L1105 V1116 M1236L1024-H1109 PolarHBondContact O-NE2 3.44Å; A1025-H1109 PolarHBondContact O-CE1 3.19Å; A1025-H1109 PolarHBondContact O-NE2 3.15Å; A1025-H1109 VanDerWaalsContact O-NE2 3.1Å; L1105-H1109 PolarHBondContact O-N 3.03Å; L1105-H1109 VanDerWaalsContact O-N 3.1Å; H1109-V1116 HydrophobicContact CB-CB 4.25Å; H1109-V1116 VanDerWaalsContact CB-O 3.29Å; H1109-V1116 WeakPolarHBondContact CB-O 3.42Å; H1109-V1116 WeakPolarHBondContact O-CB 3.33Å; H1109-M1236 HydrophobicContact CB-CE 3.79Å; H1109-M1236 VanDerWaalsContact CG-CE 3.44Å
1110S98.2Very high97.8Very high2 Ų219 Ų191%0.0149%0.089CC..  trans-72.3159-168.3-50.70000112.4K843 W850 I1106 G1114 V1116K843-S1110 WeakPolarHBondContact CD-O 3.47Å; K843-S1110 PolarHBondContact NZ-O 3.37Å; W850-S1110 WeakPolarHBondContact CZ2-O 3.42Å; I1106-S1110 WeakPolarHBondContact O-CB 3.35Å; I1106-S1110 PolarHBondContact O-N 3.23Å; I1106-S1110 PolarHBondContact O-OG 3.16Å; S1110-G1114 WeakPolarHBondContact CB-O 3.37Å; S1110-V1116 PolarHBondContact OG-N 3.2Å
1111D96.4Very high97.8Very high49 Ų4916.8 Ų16.826%0.2628%0.081SC..BIsolated β-bridgetrans-132.2-175.1-174.165.727.2000112.4W850 K1113 G1114 R1208W850-D1111 PolarHBondContact NE1-O 2.96Å; W850-D1111 VanDerWaalsContact NE1-O 3.14Å; D1111-K1113 PolarHBondContact O-N 2.86Å; D1111-K1113 VanDerWaalsContact O-N 3.13Å; D1111-K1113 WeakPolarHBondContact OD1-CA 3.48Å; D1111-K1113 WeakPolarHBondContact OD1-CB 3.4Å; D1111-K1113 PolarHBondContact OD1-N 3.42Å; D1111-G1114 PolarHBondContact N-O 3.26Å; D1111-G1114 VanDerWaalsContact N-O 3.15Å; D1111-G1114 PolarHBondContact O-N 3.26Å; D1111-G1114 PolarHBondContact OD1-N 3.36Å; D1111-R1208 IonicContact OD1-CZ 2.87Å; D1111-R1208 IonicContact OD1-NH1 2.8Å; D1111-R1208 IonicContact OD1-NH2 3.84Å; D1111-R1208 PolarHBondContact OD1-NH2 3.36Å; D1111-R1208 IonicContact OD2-CZ 3.54Å; D1111-R1208 IonicContact OD2-NH1 3.68Å; D1111-R1208 PolarHBondContact OD2-NH1 2.83Å; D1111-R1208 IonicContact OD2-NH2 3.56Å; D1111-R1208 PolarHBondContact OD2-NH2 2.6Å
1112D95.6Very high97.8Very high69 Ų6916.8 Ų16.837%0.3698%0.081SC..THydrogen-bonded Turntrans-71.7-0.4-177.8-64.7-3.3000113.6S842 K843S842-D1112 WeakPolarHBondContact CB-OD2 3.45Å; S842-D1112 PolarHBondContact OG-OD2 3.2Å; K843-D1112 WeakPolarHBondContact CB-OD1 3.21Å; K843-D1112 PolarHBondContact N-OD1 3.12Å
1113K94.3Very high97.8Very high116 Ų11617 Ų1750%0.5048%0.083SC..THydrogen-bonded Turntrans-100.9-17.3173.1-59.7179-177.4174.40112.7D1111 E1183D1111-K1113 PolarHBondContact O-N 2.86Å; D1111-K1113 VanDerWaalsContact O-N 3.13Å; D1111-K1113 WeakPolarHBondContact OD1-CA 3.48Å; D1111-K1113 WeakPolarHBondContact OD1-CB 3.4Å; D1111-K1113 PolarHBondContact OD1-N 3.42Å; K1113-E1183 HydrophobicContact CB-CG 4.33Å
1114G96.3Very high97.8Very high0 Ų020.9 Ų20.90%010%0.098CC..BIsolated β-bridgetrans144.8-163.3-177.100000114.3S1110 D1111 R1208S1110-G1114 WeakPolarHBondContact CB-O 3.37Å; D1111-G1114 PolarHBondContact N-O 3.26Å; D1111-G1114 VanDerWaalsContact N-O 3.15Å; D1111-G1114 PolarHBondContact O-N 3.26Å; D1111-G1114 PolarHBondContact OD1-N 3.36Å; G1114-R1208 VanDerWaalsContact C-NH2 3.32Å; G1114-R1208 PolarHBondContact O-NH2 3.47Å; G1114-R1208 VanDerWaalsContact O-NH2 3.11Å
1115L98.2Very high97.8Very high0 Ų022 Ų220%010%0.103CC..  trans-63150.7176.4-68176.5000110.4L854 S858 L860 I1106 L1117 L1184 G1186 R1208L854-L1115 HydrophobicContact CD1-CD2 3.96Å; L854-L1115 HydrophobicContact CD1-CG 4.13Å; L854-L1115 HydrophobicContact CD2-CD2 4.15Å; L854-L1115 HydrophobicContact CG-CD2 3.98Å; S858-L1115 VanDerWaalsContact CB-CD1 3.44Å; S858-L1115 WeakPolarHBondContact OG-CD1 3.12Å; L860-L1115 HydrophobicContact CD1-CD1 3.9Å; L860-L1115 HydrophobicContact CD1-CD2 3.82Å; L860-L1115 HydrophobicContact CD1-CG 4.44Å; L860-L1115 HydrophobicContact CD2-CD1 3.92Å; L860-L1115 HydrophobicContact CG-CD1 3.97Å; I1106-L1115 HydrophobicContact CG1-CD2 4.06Å; I1106-L1115 HydrophobicContact CG2-CD2 4.15Å; L1115-L1117 HydrophobicContact CB-CD2 4.46Å; L1115-L1117 HydrophobicContact CB-CG 4.39Å; L1115-L1184 PolarHBondContact N-O 3.29Å; L1115-G1186 WeakPolarHBondContact O-CA 3.5Å; L1115-R1208 VanDerWaalsContact O-CZ 3.28Å; L1115-R1208 PolarHBondContact O-NE 2.99Å; L1115-R1208 PolarHBondContact O-NH2 3.29Å
1116V98.6Very high97.8Very high7 Ų721.9 Ų21.94%0.04210%0.102CC..  trans-131.2104.3167.4-177.90000106.6H1109 S1110 R1208 H1209 M1236H1109-V1116 HydrophobicContact CB-CB 4.25Å; H1109-V1116 VanDerWaalsContact CB-O 3.29Å; H1109-V1116 WeakPolarHBondContact CB-O 3.42Å; H1109-V1116 WeakPolarHBondContact O-CB 3.33Å; S1110-V1116 PolarHBondContact OG-N 3.2Å; V1116-R1208 HydrophobicContact CG2-CG 4.47Å; V1116-H1209 HydrophobicContact CG1-CB 3.91Å; V1116-M1236 HydrophobicContact CG1-CE 3.79Å; V1116-M1236 HydrophobicContact CG1-SD 4.23Å
1117L98.7Very high97.9Very high3 Ų321.9 Ų21.92%0.01610%0.102CC..  trans-101.5136-174.4-58.4179.3000111.3M879 L1105 L1115 A1122 G1186M879-L1117 HydrophobicContact CE-CD2 3.65Å; M879-L1117 HydrophobicContact SD-CD1 4.11Å; M879-L1117 HydrophobicContact SD-CD2 4.1Å; L1105-L1117 HydrophobicContact CD2-CD2 4.01Å; L1115-L1117 HydrophobicContact CB-CD2 4.46Å; L1115-L1117 HydrophobicContact CB-CG 4.39Å; L1117-A1122 HydrophobicContact CB-CB 3.9Å; L1117-A1122 HydrophobicContact CD1-CB 4.32Å; L1117-G1186 WeakPolarHBondContact CB-O 3.23Å; L1117-G1186 PolarHBondContact N-O 3.04Å
1118P98.7Very high97.9Very high0 Ų021.9 Ų21.90%010%0.102CC..  trans-61.7140.7167-17.426.4000110.9L1024 A1025 L1105 R1120 V1121 A1122 M1236L1024-P1118 WeakPolarHBondContact O-CG 3.23Å; A1025-P1118 HydrophobicContact CB-CB 4.17Å; A1025-P1118 HydrophobicContact CB-CG 4.06Å; L1105-P1118 HydrophobicContact CD1-CG 3.63Å; P1118-R1120 PolarHBondContact O-N 3.37Å; P1118-R1120 VanDerWaalsContact O-N 3.08Å; P1118-V1121 HydrophobicContact CB-CG1 4.27Å; P1118-V1121 HydrophobicContact CG-CG1 4.16Å; P1118-V1121 PolarHBondContact O-N 3.17Å; P1118-A1122 WeakPolarHBondContact O-CB 3.48Å; P1118-A1122 PolarHBondContact O-N 2.94Å; P1118-A1122 VanDerWaalsContact O-N 3.08Å; P1118-M1236 HydrophobicContact CB-CE 4.38Å; P1118-M1236 HydrophobicContact CG-CE 3.84Å
1119P98.6Very high97.8Very high2 Ų220.6 Ų20.61%0.01310%0.095CC..THydrogen-bonded Turntrans-53.4-31.1-179.7-34.641000116.2Q1125 R1164 P1188 L1229 I1232P1119-Q1125 VanDerWaalsContact O-CG 3.24Å; P1119-Q1125 WeakPolarHBondContact O-CG 3.39Å; P1119-Q1125 PolarHBondContact O-NE2 2.95Å; P1119-R1164 PolarHBondContact O-NH2 2.93Å; P1119-P1188 HydrophobicContact CB-CG 4.43Å; P1119-P1188 HydrophobicContact CG-CB 4Å; P1119-P1188 HydrophobicContact CG-CG 4.16Å; P1119-L1229 HydrophobicContact CB-CB 4.03Å; P1119-L1229 HydrophobicContact CB-CD2 3.82Å; P1119-L1229 HydrophobicContact CB-CG 4.45Å; P1119-L1229 HydrophobicContact CG-CB 4.26Å; P1119-L1229 HydrophobicContact CG-CD2 3.95Å; P1119-L1229 WeakPolarHBondContact CG-O 3.4Å; P1119-I1232 HydrophobicContact CG-CB 4.05Å; P1119-I1232 HydrophobicContact CG-CG2 3.84Å
1120R97.8Very high97.6Very high56 Ų5619.8 Ų19.821%0.2119%0.091CC..THydrogen-bonded Turntrans-73.8-34.5-174.6-64.2175.4-176.1167.21.5112.2Y1022 L1023 P1118 R1164 D1230Y1022-R1120 WeakPolarHBondContact O-CD 3.31Å; Y1022-R1120 PolarHBondContact O-NH1 3.32Å; L1023-R1120 HydrophobicContact CD1-CB 3.84Å; P1118-R1120 PolarHBondContact O-N 3.37Å; P1118-R1120 VanDerWaalsContact O-N 3.08Å; R1120-R1164 PolarHBondContact O-NH2 3.26Å; R1120-D1230 IonicContact CZ-OD1 3.4Å; R1120-D1230 IonicContact NE-OD1 3.18Å; R1120-D1230 IonicContact NH2-OD1 3.98Å; R1120-D1230 PolarHBondContact NH2-OD1 3.42Å
1121V98.1Very high97.2Very high0 Ų020.5 Ų20.50%010%0.096CC..THydrogen-bonded Turntrans-96.3-21.4179.672.40000114.1M879 L1023 L1024 L1105 P1118M879-V1121 HydrophobicContact CB-CG2 4.06Å; M879-V1121 HydrophobicContact CG-CG2 4.32Å; L1023-V1121 HydrophobicContact CD1-CB 4.24Å; L1023-V1121 HydrophobicContact CG-CB 4.4Å; L1024-V1121 HydrophobicContact CD2-CB 3.79Å; L1024-V1121 HydrophobicContact CD2-CG1 3.88Å; L1024-V1121 HydrophobicContact CD2-CG2 3.67Å; L1105-V1121 HydrophobicContact CD2-CG1 4.07Å; P1118-V1121 HydrophobicContact CB-CG1 4.27Å; P1118-V1121 HydrophobicContact CG-CG1 4.16Å; P1118-V1121 PolarHBondContact O-N 3.17Å
1122A98.4Very high96.5Very high0 Ų020.1 Ų20.10%010%0.103CC..  trans-58.5132.4-175.400000112.4L1117 P1118 Y1124 R1164 P1188L1117-A1122 HydrophobicContact CB-CB 3.9Å; L1117-A1122 HydrophobicContact CD1-CB 4.32Å; P1118-A1122 WeakPolarHBondContact O-CB 3.48Å; P1118-A1122 PolarHBondContact O-N 2.94Å; P1118-A1122 VanDerWaalsContact O-N 3.08Å; A1122-Y1124 VanDerWaalsContact C-N 3.35Å; A1122-Y1124 WeakPolarHBondContact CB-O 3.18Å; A1122-Y1124 PolarHBondContact O-N 3.39Å; A1122-R1164 VanDerWaalsContact O-CZ 3.31Å; A1122-R1164 PolarHBondContact O-NE 2.98Å; A1122-R1164 PolarHBondContact O-NH2 3.27Å; A1122-P1188 HydrophobicContact CB-CG 3.7Å
1123P98.1Very high95.6Very high7 Ų719 Ų195%0.04510%0.097CC..SBendtrans-58.2-44.7179.6-27.435.7000113.6W875 H878 M879 R1164W875-P1123 HydrophobicContact CD2-CB 4.13Å; W875-P1123 HydrophobicContact CD2-CG 3.73Å; W875-P1123 HydrophobicContact CE3-CB 3.95Å; W875-P1123 HydrophobicContact CE3-CG 4.06Å; W875-P1123 HydrophobicContact CG-CG 4.13Å; W875-P1123 HydrophobicContact CH2-CB 3.93Å; W875-P1123 HydrophobicContact CH2-CG 4.38Å; W875-P1123 HydrophobicContact CZ2-CB 4.12Å; W875-P1123 HydrophobicContact CZ2-CG 4.09Å; W875-P1123 HydrophobicContact CZ3-CB 3.85Å; W875-P1123 HydrophobicContact CZ3-CG 4.37Å; H878-P1123 HydrophobicContact CB-CB 4.23Å; H878-P1123 HydrophobicContact CB-CG 4.04Å; H878-P1123 VanDerWaalsContact CD2-CA 3.41Å; H878-P1123 WeakPolarHBondContact CD2-CA 3.28Å; M879-P1123 HydrophobicContact CG-CG 4.09Å; P1123-R1164 WeakPolarHBondContact O-CB 3.37Å; P1123-R1164 VanDerWaalsContact O-CD 3.32Å; P1123-R1164 WeakPolarHBondContact O-CD 3.38Å; P1123-R1164 PolarHBondContact O-NE 3.39Å
1124Y98.3Very high94.8Very high81 Ų8117.4 Ų17.432%0.31810%0.097SC..  trans-115.3132.6162.1-60.6-50.7000109.2W875 A1122 V1127 R1164 H1166 W1182 P1188W875-Y1124 AromaticContact CH2-CD2 3.6Å; W875-Y1124 HydrophobicContact CH2-CD2 3.6Å; W875-Y1124 HydrophobicContact CH2-CE2 4.28Å; W875-Y1124 HydrophobicContact CH2-CG 4.28Å; W875-Y1124 AromaticContact CZ3-CD2 3.77Å; W875-Y1124 HydrophobicContact CZ3-CD2 3.77Å; W875-Y1124 AromaticContact CZ3-CE2 3.97Å; W875-Y1124 HydrophobicContact CZ3-CE2 3.97Å; A1122-Y1124 VanDerWaalsContact C-N 3.35Å; A1122-Y1124 WeakPolarHBondContact CB-O 3.18Å; A1122-Y1124 PolarHBondContact O-N 3.39Å; Y1124-V1127 HydrophobicContact CD2-CG2 4.49Å; Y1124-R1164 CarbonylContact C-O 3.57Å; Y1124-R1164 WeakPolarHBondContact CA-O 3.33Å; Y1124-R1164 HydrophobicContact CD1-CB 4.48Å; Y1124-H1166 HydrophobicContact CD1-CB 3.98Å; Y1124-H1166 HydrophobicContact CD2-CB 3.65Å; Y1124-H1166 HydrophobicContact CE1-CB 4Å; Y1124-H1166 HydrophobicContact CE2-CB 3.68Å; Y1124-H1166 AromaticContact CE2-CG 3.91Å; Y1124-H1166 HydrophobicContact CG-CB 3.84Å; Y1124-W1182 HydrophobicContact CD2-CH2 4.46Å; Y1124-W1182 HydrophobicContact CD2-CZ3 4.35Å; Y1124-P1188 VanDerWaalsContact O-CD 3.31Å; Y1124-P1188 WeakPolarHBondContact O-CD 3.44Å
1125Q98.5Very high93.8Very high22 Ų2222.9 Ų22.910%0.10314%0.142CC..SBendtrans-79.7-37.2172.4-70.2170.8-39.500110.6P1119 R1164 P1188 I1189 L1229P1119-Q1125 VanDerWaalsContact O-CG 3.24Å; P1119-Q1125 WeakPolarHBondContact O-CG 3.39Å; P1119-Q1125 PolarHBondContact O-NE2 2.95Å; Q1125-R1164 HydrophobicContact CG-CB 4.4Å; Q1125-R1164 PolarHBondContact N-O 3.43Å; Q1125-R1164 VanDerWaalsContact OE1-N 3.16Å; Q1125-P1188 WeakPolarHBondContact O-CD 3.33Å; Q1125-I1189 PolarHBondContact O-N 3.39Å; Q1125-L1229 HydrophobicContact CB-CD2 4.23Å
1126I98.7Very high93Very high0 Ų032.1 Ų32.10%018%0.182CC..EExtended strand (participates in β ladder)trans-133.2128.9-172.4-55.9160.5000108.8I1128 L1156 F1163 R1164 V1165 H1166 I1189 L1191 L1225I1126-I1128 HydrophobicContact CG2-CG1 4.49Å; I1126-L1156 HydrophobicContact CD1-CD1 4.23Å; I1126-L1156 HydrophobicContact CG2-CD1 4.45Å; I1126-F1163 HydrophobicContact CD1-CB 4.36Å; I1126-F1163 HydrophobicContact CD1-CD1 4.09Å; I1126-F1163 HydrophobicContact CD1-CG 4.27Å; I1126-R1164 PolarHBondContact N-O 2.76Å; I1126-V1165 HydrophobicContact CB-CB 4.49Å; I1126-V1165 HydrophobicContact CB-CG2 4.17Å; I1126-V1165 HydrophobicContact CG2-CG2 4.21Å; I1126-V1165 VanDerWaalsContact O-CA 3.32Å; I1126-V1165 WeakPolarHBondContact O-CA 3.49Å; I1126-H1166 PolarHBondContact O-N 3.3Å; I1126-I1189 VanDerWaalsContact CA-O 3.31Å; I1126-I1189 WeakPolarHBondContact CA-O 3.38Å; I1126-I1189 HydrophobicContact CG1-CB 4.18Å; I1126-I1189 HydrophobicContact CG1-CD1 4.49Å; I1126-I1189 HydrophobicContact CG2-CG2 4.41Å; I1126-L1191 HydrophobicContact CG2-CB 4.02Å; I1126-L1191 HydrophobicContact CG2-CD1 4.34Å; I1126-L1225 HydrophobicContact CD1-CD1 3.66Å; I1126-L1225 HydrophobicContact CD1-CD2 3.81Å; I1126-L1225 HydrophobicContact CD1-CG 4.28Å; I1126-L1225 HydrophobicContact CG1-CD2 4.45Å
1127V98.7Very high92.1Very high0 Ų033.4 Ų33.40%019%0.19CC..EExtended strand (participates in β ladder)trans-116.2124.1166.6170.50000109.9Y1124 V1129 H1166 D1168 W1182 V1187 I1189 R1190 L1191Y1124-V1127 HydrophobicContact CD2-CG2 4.49Å; V1127-V1129 HydrophobicContact CG1-CG2 4Å; V1127-H1166 CarbonylContact C-O 3.57Å; V1127-H1166 VanDerWaalsContact CA-O 3.28Å; V1127-H1166 WeakPolarHBondContact CA-O 3.35Å; V1127-H1166 HydrophobicContact CG2-CB 4.28Å; V1127-D1168 HydrophobicContact CG1-CB 4.21Å; V1127-W1182 HydrophobicContact CB-CD2 4.32Å; V1127-W1182 HydrophobicContact CB-CG 4.37Å; V1127-W1182 HydrophobicContact CG1-CD2 3.94Å; V1127-W1182 HydrophobicContact CG1-CG 3.95Å; V1127-W1182 HydrophobicContact CG1-CZ2 4.27Å; V1127-W1182 HydrophobicContact CG2-CD2 3.9Å; V1127-W1182 HydrophobicContact CG2-CE3 3.88Å; V1127-W1182 HydrophobicContact CG2-CG 4.42Å; V1127-W1182 HydrophobicContact CG2-CH2 4.33Å; V1127-W1182 HydrophobicContact CG2-CZ2 4.39Å; V1127-W1182 HydrophobicContact CG2-CZ3 4.1Å; V1127-V1187 HydrophobicContact CB-CG1 4.14Å; V1127-V1187 HydrophobicContact CG2-CB 4.4Å; V1127-V1187 HydrophobicContact CG2-CG1 3.8Å; V1127-V1187 HydrophobicContact CG2-CG2 3.92Å; V1127-I1189 PolarHBondContact N-O 3.43Å; V1127-R1190 CarbonylContact O-C 3.59Å; V1127-R1190 WeakPolarHBondContact O-CA 3.36Å; V1127-L1191 PolarHBondContact O-N 3.46Å
1128I98.4Very high91.5Very high0 Ų036.3 Ų36.30%021%0.208CC..EExtended strand (participates in β ladder)trans-88.9127.2176.6-59.5165000108.6I1126 A1149 V1152 F1153 L1156 V1165 H1166 C1167 D1168 L1191 I1193I1126-I1128 HydrophobicContact CG2-CG1 4.49Å; I1128-A1149 HydrophobicContact CG2-CB 3.96Å; I1128-V1152 HydrophobicContact CD1-CB 4.34Å; I1128-V1152 HydrophobicContact CD1-CG1 3.9Å; I1128-F1153 HydrophobicContact CD1-CB 3.77Å; I1128-L1156 HydrophobicContact CD1-CD1 4.42Å; I1128-V1165 HydrophobicContact CD1-CG2 3.77Å; I1128-V1165 HydrophobicContact CG1-CG2 4.12Å; I1128-H1166 PolarHBondContact N-O 3.13Å; I1128-C1167 HydrophobicContact CB-CB 4.43Å; I1128-D1168 PolarHBondContact O-N 2.66Å; I1128-L1191 CarbonylContact C-O 3.54Å; I1128-L1191 WeakPolarHBondContact CA-O 3.45Å; I1128-L1191 HydrophobicContact CG1-CB 4.25Å; I1128-L1191 HydrophobicContact CG1-CD1 4.38Å; I1128-L1191 HydrophobicContact CG1-CD2 4.29Å; I1128-L1191 HydrophobicContact CG2-CD2 4.22Å; I1128-I1193 HydrophobicContact CG2-CD1 4.03Å; I1128-I1193 HydrophobicContact CG2-CG1 4.49Å
1129V97Very high90.8Very high0 Ų040.8 Ų40.80%024%0.235CC..EExtended strand (participates in β ladder)trans-124.5113.3177-173.70000109.5V1127 C1131 K1178 F1179 R1190 L1191 I1193V1127-V1129 HydrophobicContact CG1-CG2 4Å; V1129-C1131 PolarHBondContact O-SG 2.68Å; V1129-K1178 HydrophobicContact CG1-CB 4.21Å; V1129-K1178 HydrophobicContact CG1-CD 3.8Å; V1129-F1179 HydrophobicContact CB-CE1 4.1Å; V1129-F1179 HydrophobicContact CG1-CD1 4.19Å; V1129-F1179 HydrophobicContact CG1-CE1 3.7Å; V1129-R1190 HydrophobicContact CG2-CG 4.01Å; V1129-L1191 PolarHBondContact N-O 2.93Å; V1129-I1193 PolarHBondContact O-N 3.34Å
1130P93.9Very high90.1Very high2 Ų246.7 Ų46.71%0.01326%0.263CS..EExtended strand (participates in β ladder)trans-68.5130.9169.526.9-31.2000110.3I1133 L1145 L1146 A1149 D1168 I1193P1130-I1133 HydrophobicContact CB-CD1 4.46Å; P1130-L1145 HydrophobicContact CB-CD2 4.1Å; P1130-L1145 HydrophobicContact CB-CG 4.15Å; P1130-L1146 HydrophobicContact CB-CD2 4.23Å; P1130-L1146 HydrophobicContact CG-CD2 3.88Å; P1130-A1149 HydrophobicContact CB-CB 4.27Å; P1130-D1168 WeakPolarHBondContact CD-O 3.33Å; P1130-I1193 CarbonylContact C-O 3.58Å; P1130-I1193 WeakPolarHBondContact CA-O 3.35Å
1131C89Confident89.5Confident17 Ų1749.3 Ų49.312%0.11528%0.277CS..  trans-121.5156.7-170.4-65.60000111.7V1129 I1133 L1145 F1179 I1193 G1194V1129-C1131 PolarHBondContact O-SG 2.68Å; C1131-I1133 VanDerWaalsContact C-N 3.31Å; C1131-I1133 PolarHBondContact O-N 3.38Å; C1131-L1145 WeakPolarHBondContact O-CD2 3.43Å; C1131-F1179 VanDerWaalsContact SG-CZ 3.51Å; C1131-I1193 PolarHBondContact N-O 3.3Å; C1131-G1194 WeakPolarHBondContact O-CA 3.24Å
1132G82.1Confident88.9Confident41 Ų4153.1 Ų53.142%0.42329%0.292SS..  trans81.15.1175.500000115.4T1134 T1137G1132-T1134 PolarHBondContact O-N 2.89Å; G1132-T1137 PolarHBondContact O-OG1 3.27Å
1133I76.9Confident88.4Confident44 Ų4458.8 Ų58.823%0.22632%0.318CS..  trans-72112.6167.7-54.8173.1000108.2P1130 C1131 R1142 L1145 L1146P1130-I1133 HydrophobicContact CB-CD1 4.46Å; C1131-I1133 VanDerWaalsContact C-N 3.31Å; C1131-I1133 PolarHBondContact O-N 3.38Å; I1133-R1142 HydrophobicContact CD1-CG 4.16Å; I1133-R1142 HydrophobicContact CG2-CG 4.33Å; I1133-L1145 HydrophobicContact CD1-CD2 4.06Å; I1133-L1145 HydrophobicContact CG1-CD2 3.6Å; I1133-L1146 HydrophobicContact CD1-CD2 4.32Å
1134T78.7Confident88Confident84 Ų8462.4 Ų62.452%0.51534%0.34SS..  trans-122.9172.817770.10000109.8G1132 K1136 T1137G1132-T1134 PolarHBondContact O-N 2.89Å; T1134-K1136 PolarHBondContact O-N 3.47Å; T1134-K1136 PolarHBondContact OG1-N 3.34Å; T1134-T1137 PolarHBondContact N-OG1 3.49Å; T1134-T1137 WeakPolarHBondContact O-CB 3.23Å; T1134-T1137 PolarHBondContact O-N 3.31Å; T1134-T1137 PolarHBondContact O-OG1 2.92Å; T1134-T1137 PolarHBondContact OG1-OG1 3.42Å
1135A75.3Confident87.6Confident114 Ų11458.9 Ų58.994%0.94233%0.327SS*.THydrogen-bonded Turntrans-60.2-13.9173.500000113.9
1136K80.1Confident87.3Confident194 Ų19459.4 Ų59.484%0.84333%0.33SS*.THydrogen-bonded Turntrans-96-11.2177.6-62.8-175.2179.8-1770113.7T1134 T1138T1134-K1136 PolarHBondContact O-N 3.47Å; T1134-K1136 PolarHBondContact OG1-N 3.34Å; K1136-T1138 PolarHBondContact O-N 3.03Å
1137T80Confident87Confident35 Ų3563 Ų6322%0.21536%0.355CS..SBendtrans-69.4125.2-178.9-54.10000108.7G1132 T1134 E1141 R1142G1132-T1137 PolarHBondContact O-OG1 3.27Å; T1134-T1137 PolarHBondContact N-OG1 3.49Å; T1134-T1137 WeakPolarHBondContact O-CB 3.23Å; T1134-T1137 PolarHBondContact O-N 3.31Å; T1134-T1137 PolarHBondContact O-OG1 2.92Å; T1134-T1137 PolarHBondContact OG1-OG1 3.42Å; T1137-E1141 HydrophobicContact CG2-CB 3.64Å; T1137-R1142 HydrophobicContact CG2-CB 4.19Å
1138T85.8Confident86.7Confident64 Ų6463.9 Ų63.939%0.39336%0.363SS..  trans-65.1158.6177.860.50000110.7K1136 Q1140 E1141 R1142K1136-T1138 PolarHBondContact O-N 3.03Å; T1138-Q1140 PolarHBondContact O-N 3.07Å; T1138-E1141 PolarHBondContact N-OE2 3.41Å; T1138-E1141 PolarHBondContact O-N 3.39Å; T1138-E1141 WeakPolarHBondContact OG1-CB 3.27Å; T1138-E1141 WeakPolarHBondContact OG1-CG 3.43Å; T1138-E1141 PolarHBondContact OG1-N 3.31Å; T1138-E1141 PolarHBondContact OG1-OE2 2.89Å; T1138-R1142 WeakPolarHBondContact O-CB 3.49Å; T1138-R1142 PolarHBondContact O-N 2.81Å
1139V84.7Confident86.5Confident93 Ų9363.9 Ų63.956%0.56436%0.363SS*.Hα-helixtrans-57.1-41.7177.3178.90000110.3R1142 E1143V1139-R1142 PolarHBondContact O-N 3.26Å; V1139-E1143 HydrophobicContact CG1-CG 4.43Å; V1139-E1143 WeakPolarHBondContact O-CB 3.37Å; V1139-E1143 WeakPolarHBondContact O-CG 3.46Å; V1139-E1143 PolarHBondContact O-N 2.94Å
1140Q84.4Confident86.4Confident127 Ų12767.6 Ų67.659%0.59338%0.38SS*.Hα-helixtrans-65.5-43.6179.1-67.375.714.600112.7T1138 R1142 E1143 T1144T1138-Q1140 PolarHBondContact O-N 3.07Å; Q1140-R1142 VanDerWaalsContact C-N 3.33Å; Q1140-E1143 PolarHBondContact O-N 3.18Å; Q1140-T1144 WeakPolarHBondContact O-CB 3.37Å; Q1140-T1144 PolarHBondContact O-N 3.44Å; Q1140-T1144 PolarHBondContact O-OG1 3.29Å
1141E84Confident86.4Confident110 Ų11071 Ų7151%0.51440%0.404SS..Hα-helixtrans-64-40.4175.5-74.5165.5151.500111.4T1137 T1138 T1144 L1145T1137-E1141 HydrophobicContact CG2-CB 3.64Å; T1138-E1141 PolarHBondContact N-OE2 3.41Å; T1138-E1141 PolarHBondContact O-N 3.39Å; T1138-E1141 WeakPolarHBondContact OG1-CB 3.27Å; T1138-E1141 WeakPolarHBondContact OG1-CG 3.43Å; T1138-E1141 PolarHBondContact OG1-N 3.31Å; T1138-E1141 PolarHBondContact OG1-OE2 2.89Å; E1141-T1144 PolarHBondContact O-N 2.94Å; E1141-L1145 WeakPolarHBondContact O-CB 3.46Å; E1141-L1145 PolarHBondContact O-N 3.45Å
1142R85.8Confident86.7Confident80 Ų8070.5 Ų70.530%0.30240%0.4SS..Hα-helixtrans-63.7-47.8176.6178.2176.5172.1132.7-7.4111.4I1133 T1137 T1138 V1139 Q1140 T1144 L1145 L1146 D1171I1133-R1142 HydrophobicContact CD1-CG 4.16Å; I1133-R1142 HydrophobicContact CG2-CG 4.33Å; T1137-R1142 HydrophobicContact CG2-CB 4.19Å; T1138-R1142 WeakPolarHBondContact O-CB 3.49Å; T1138-R1142 PolarHBondContact O-N 2.81Å; V1139-R1142 PolarHBondContact O-N 3.26Å; Q1140-R1142 VanDerWaalsContact C-N 3.33Å; R1142-T1144 VanDerWaalsContact C-N 3.32Å; R1142-T1144 PolarHBondContact O-N 2.78Å; R1142-L1145 PolarHBondContact O-N 3.48Å; R1142-L1146 HydrophobicContact CG-CD1 4.02Å; R1142-L1146 HydrophobicContact CG-CG 4.45Å; R1142-L1146 WeakPolarHBondContact O-CB 3.17Å; R1142-L1146 WeakPolarHBondContact O-CG 3.41Å; R1142-L1146 PolarHBondContact O-N 3.29Å; R1142-D1171 IonicContact NH2-OD2 3.15Å; R1142-D1171 PolarHBondContact NH2-OD2 2.94Å; R1142-D1171 VanDerWaalsContact NH2-OD2 3.13Å
1143E88.8Confident87.4Confident120 Ų12070.7 Ų70.756%0.56139%0.39SS*.Hα-helixtrans-61.2-41.5176.3-76.5174.1179.600111.6V1139 Q1140 L1145 L1146 S1147V1139-E1143 HydrophobicContact CG1-CG 4.43Å; V1139-E1143 WeakPolarHBondContact O-CB 3.37Å; V1139-E1143 WeakPolarHBondContact O-CG 3.46Å; V1139-E1143 PolarHBondContact O-N 2.94Å; Q1140-E1143 PolarHBondContact O-N 3.18Å; E1143-L1145 VanDerWaalsContact C-N 3.35Å; E1143-L1145 PolarHBondContact O-N 3.13Å; E1143-L1146 PolarHBondContact O-N 2.7Å; E1143-S1147 WeakPolarHBondContact O-CB 3.32Å; E1143-S1147 PolarHBondContact O-N 2.98Å
1144T89.2Confident88.3Confident83 Ų8372 Ų7251%0.50940%0.395SS..Hα-helixtrans-60.8-45.1176.4-58.40000111.2Q1140 E1141 R1142 A1148Q1140-T1144 WeakPolarHBondContact O-CB 3.37Å; Q1140-T1144 PolarHBondContact O-N 3.44Å; Q1140-T1144 PolarHBondContact O-OG1 3.29Å; E1141-T1144 PolarHBondContact O-N 2.94Å; R1142-T1144 VanDerWaalsContact C-N 3.32Å; R1142-T1144 PolarHBondContact O-N 2.78Å; T1144-A1148 WeakPolarHBondContact O-CB 3.46Å; T1144-A1148 PolarHBondContact O-N 3.18Å
1145L89.5Confident88.9Confident6 Ų671.6 Ų71.63%0.03139%0.389CS..Hα-helixtrans-68.1-44.2179.9-175.468.3000112.6P1130 C1131 I1133 E1141 R1142 E1143 S1147 A1148 A1149 I1193 V1198P1130-L1145 HydrophobicContact CB-CD2 4.1Å; P1130-L1145 HydrophobicContact CB-CG 4.15Å; C1131-L1145 WeakPolarHBondContact O-CD2 3.43Å; I1133-L1145 HydrophobicContact CD1-CD2 4.06Å; I1133-L1145 HydrophobicContact CG1-CD2 3.6Å; E1141-L1145 WeakPolarHBondContact O-CB 3.46Å; E1141-L1145 PolarHBondContact O-N 3.45Å; R1142-L1145 PolarHBondContact O-N 3.48Å; E1143-L1145 VanDerWaalsContact C-N 3.35Å; E1143-L1145 PolarHBondContact O-N 3.13Å; L1145-S1147 VanDerWaalsContact C-N 3.34Å; L1145-A1148 PolarHBondContact O-N 3.36Å; L1145-A1149 PolarHBondContact O-N 2.75Å; L1145-I1193 HydrophobicContact CD1-CG2 3.97Å; L1145-I1193 WeakPolarHBondContact CD1-O 3.34Å; L1145-V1198 HydrophobicContact CD1-CG2 3.79Å
1146L91.7Very high89.9Confident33 Ų3366.1 Ų66.117%0.17334%0.344CS..Hα-helixtrans-63.8-42.5176.3-70.9176.3000110.9P1130 I1133 R1142 E1143 A1148 A1149 H1150 D1169P1130-L1146 HydrophobicContact CB-CD2 4.23Å; P1130-L1146 HydrophobicContact CG-CD2 3.88Å; I1133-L1146 HydrophobicContact CD1-CD2 4.32Å; R1142-L1146 HydrophobicContact CG-CD1 4.02Å; R1142-L1146 HydrophobicContact CG-CG 4.45Å; R1142-L1146 WeakPolarHBondContact O-CB 3.17Å; R1142-L1146 WeakPolarHBondContact O-CG 3.41Å; R1142-L1146 PolarHBondContact O-N 3.29Å; E1143-L1146 PolarHBondContact O-N 2.7Å; L1146-A1148 VanDerWaalsContact C-N 3.33Å; L1146-A1148 PolarHBondContact O-N 3.16Å; L1146-A1149 PolarHBondContact O-N 2.74Å; L1146-H1150 WeakPolarHBondContact O-CB 3.28Å; L1146-H1150 VanDerWaalsContact O-CG 3.31Å; L1146-H1150 PolarHBondContact O-N 3.3Å; L1146-D1169 HydrophobicContact CD2-CB 4.11Å
1147S93Very high90.4Very high76 Ų7661 Ų6153%0.53133%0.326SS..Hα-helixtrans-60-41.9174.1-178.20000111.9E1143 L1145 H1150 S1151E1143-S1147 WeakPolarHBondContact O-CB 3.32Å; E1143-S1147 PolarHBondContact O-N 2.98Å; L1145-S1147 VanDerWaalsContact C-N 3.34Å; S1147-H1150 PolarHBondContact O-N 2.7Å; S1147-S1151 WeakPolarHBondContact O-CB 3.41Å; S1147-S1151 PolarHBondContact O-N 2.83Å
1148A92Very high90.9Very high19 Ų1966.9 Ų66.916%0.15735%0.348CS..Hα-helixtrans-63.2-44.1174.300000112T1144 L1145 L1146 S1151 V1152 V1198T1144-A1148 WeakPolarHBondContact O-CB 3.46Å; T1144-A1148 PolarHBondContact O-N 3.18Å; L1145-A1148 PolarHBondContact O-N 3.36Å; L1146-A1148 VanDerWaalsContact C-N 3.33Å; L1146-A1148 PolarHBondContact O-N 3.16Å; A1148-S1151 PolarHBondContact O-N 3.42Å; A1148-V1152 WeakPolarHBondContact O-CG2 3.35Å; A1148-V1152 PolarHBondContact O-N 2.94Å; A1148-V1198 HydrophobicContact CB-CG2 3.75Å
1149A94.2Very high91.1Very high0 Ų064.5 Ų64.50%033%0.334CS..Hα-helixtrans-63.6-44176.800000112.7I1128 P1130 L1145 L1146 V1152 F1153 I1193I1128-A1149 HydrophobicContact CG2-CB 3.96Å; P1130-A1149 HydrophobicContact CB-CB 4.27Å; L1145-A1149 PolarHBondContact O-N 2.75Å; L1146-A1149 PolarHBondContact O-N 2.74Å; A1149-V1152 PolarHBondContact O-N 2.57Å; A1149-F1153 WeakPolarHBondContact O-CB 3.27Å; A1149-F1153 PolarHBondContact O-N 3.3Å; A1149-I1193 HydrophobicContact CB-CD1 4.41Å
1150H95.7Very high91Very high77 Ų7766.8 Ų66.836%0.35634%0.344SS..Hα-helixtrans-66.4-36.6175-68.1169.3000112.1L1146 S1147 F1153 E1154 D1169L1146-H1150 WeakPolarHBondContact O-CB 3.28Å; L1146-H1150 VanDerWaalsContact O-CG 3.31Å; L1146-H1150 PolarHBondContact O-N 3.3Å; S1147-H1150 PolarHBondContact O-N 2.7Å; H1150-F1153 WeakPolarHBondContact O-CB 3.47Å; H1150-F1153 PolarHBondContact O-N 2.86Å; H1150-E1154 WeakPolarHBondContact O-CB 3.43Å; H1150-E1154 WeakPolarHBondContact O-CG 3.38Å; H1150-E1154 PolarHBondContact O-N 3.4Å; H1150-D1169 IonicContact CD2-OD2 3.59Å; H1150-D1169 IonicContact CE1-OD2 3.51Å; H1150-D1169 PolarHBondContact CE1-OD2 3.03Å; H1150-D1169 IonicContact NE2-OD2 2.73Å; H1150-D1169 PolarHBondContact NE2-OD2 3.11Å
1151S94.4Very high90.9Very high75 Ų7566.2 Ų66.252%0.52434%0.339SS..Hα-helixtrans-62.5-45174-178.20000111.6S1147 A1148 E1154 L1155S1147-S1151 WeakPolarHBondContact O-CB 3.41Å; S1147-S1151 PolarHBondContact O-N 2.83Å; A1148-S1151 PolarHBondContact O-N 3.42Å; S1151-E1154 PolarHBondContact O-N 2.81Å; S1151-L1155 WeakPolarHBondContact O-CB 3.49Å; S1151-L1155 PolarHBondContact O-N 2.87Å
1152V94.7Very high90.9Very high5 Ų568.8 Ų68.83%0.0335%0.351CS..Hα-helixtrans-64.8-41.1174.2174.70000111.1I1128 A1148 A1149 L1155 L1156 L1191 I1193 M1218 L1221I1128-V1152 HydrophobicContact CD1-CB 4.34Å; I1128-V1152 HydrophobicContact CD1-CG1 3.9Å; A1148-V1152 WeakPolarHBondContact O-CG2 3.35Å; A1148-V1152 PolarHBondContact O-N 2.94Å; A1149-V1152 PolarHBondContact O-N 2.57Å; V1152-L1155 WeakPolarHBondContact O-CB 3.49Å; V1152-L1155 PolarHBondContact O-N 2.77Å; V1152-L1156 HydrophobicContact CG1-CD1 4.12Å; V1152-L1156 HydrophobicContact CG1-CG 4.37Å; V1152-L1156 VanDerWaalsContact O-CG 3.32Å; V1152-L1156 WeakPolarHBondContact O-CG 3.19Å; V1152-L1156 PolarHBondContact O-N 2.82Å; V1152-L1191 HydrophobicContact CG1-CD1 4.1Å; V1152-I1193 HydrophobicContact CB-CD1 4.04Å; V1152-I1193 HydrophobicContact CG1-CD1 4.38Å; V1152-I1193 HydrophobicContact CG2-CD1 3.79Å; V1152-M1218 HydrophobicContact CG2-CE 4.16Å; V1152-M1218 HydrophobicContact CG2-SD 4.45Å; V1152-L1221 HydrophobicContact CG1-CD2 3.87Å
1153F96.4Very high91.4Very high46 Ų4665.5 Ų65.520%0.20234%0.339CS..Hα-helixtrans-57.5-51.3174.4171.1-97.4000111.4I1128 A1149 H1150 L1155 L1156 N1157 V1165 C1167I1128-F1153 HydrophobicContact CD1-CB 3.77Å; A1149-F1153 WeakPolarHBondContact O-CB 3.27Å; A1149-F1153 PolarHBondContact O-N 3.3Å; H1150-F1153 WeakPolarHBondContact O-CB 3.47Å; H1150-F1153 PolarHBondContact O-N 2.86Å; F1153-L1155 VanDerWaalsContact C-N 3.34Å; F1153-L1155 PolarHBondContact O-N 2.83Å; F1153-L1156 PolarHBondContact O-N 2.91Å; F1153-N1157 HydrophobicContact CE1-CB 4.43Å; F1153-N1157 HydrophobicContact CZ-CB 4.37Å; F1153-N1157 WeakPolarHBondContact O-CB 3.39Å; F1153-N1157 PolarHBondContact O-N 2.89Å; F1153-V1165 HydrophobicContact CD2-CG1 3.9Å; F1153-V1165 HydrophobicContact CD2-CG2 4.1Å; F1153-V1165 HydrophobicContact CE2-CG1 3.86Å; F1153-C1167 HydrophobicContact CB-CB 4.17Å; F1153-C1167 HydrophobicContact CD2-CB 3.96Å; F1153-C1167 HydrophobicContact CG-CB 4.14Å
1154E95Very high91.7Very high72 Ų7263.2 Ų63.234%0.33633%0.325SS..Hα-helixtrans-62.5-40.8178.7-74.3-64125.800112H1150 S1151 L1156 N1157 K1158H1150-E1154 WeakPolarHBondContact O-CB 3.43Å; H1150-E1154 WeakPolarHBondContact O-CG 3.38Å; H1150-E1154 PolarHBondContact O-N 3.4Å; S1151-E1154 PolarHBondContact O-N 2.81Å; E1154-L1156 VanDerWaalsContact C-N 3.34Å; E1154-L1156 PolarHBondContact O-N 3.37Å; E1154-N1157 PolarHBondContact O-N 3.41Å; E1154-K1158 VanDerWaalsContact O-CB 3.26Å; E1154-K1158 WeakPolarHBondContact O-CB 3.42Å; E1154-K1158 WeakPolarHBondContact O-CG 3.5Å; E1154-K1158 PolarHBondContact O-N 2.86Å; E1154-K1158 WeakPolarHBondContact OE2-CE 3.49Å; E1154-K1158 IonicContact OE2-NZ 2.76Å; E1154-K1158 PolarHBondContact OE2-NZ 3.27Å
1155L92.9Very high92.1Very high74 Ų7459.8 Ų59.839%0.38730%0.304SS..Hα-helixtrans-58.7-44.8176.2-17967.1000111.6S1151 V1152 F1153 S1159 I1222S1151-L1155 WeakPolarHBondContact O-CB 3.49Å; S1151-L1155 PolarHBondContact O-N 2.87Å; V1152-L1155 WeakPolarHBondContact O-CB 3.49Å; V1152-L1155 PolarHBondContact O-N 2.77Å; F1153-L1155 VanDerWaalsContact C-N 3.34Å; F1153-L1155 PolarHBondContact O-N 2.83Å; L1155-S1159 PolarHBondContact O-N 2.82Å; L1155-I1222 HydrophobicContact CD1-CD1 3.4Å; L1155-I1222 HydrophobicContact CD1-CG1 4.49Å; L1155-I1222 HydrophobicContact CD2-CD1 4.11Å; L1155-I1222 HydrophobicContact CD2-CG1 4.44Å; L1155-I1222 HydrophobicContact CG-CD1 3.48Å; L1155-I1222 VanDerWaalsContact CG-CD1 3.48Å; L1155-I1222 HydrophobicContact CG-CG1 4.07Å
1156L95.2Very high92.5Very high0 Ų062.3 Ų62.30%032%0.316CS..Hα-helixtrans-75.2-41.9178.9-65.2-178.1000112.2I1126 I1128 V1152 F1153 E1154 S1159 F1163 V1165 L1191 L1221 I1222 L1225I1126-L1156 HydrophobicContact CD1-CD1 4.23Å; I1126-L1156 HydrophobicContact CG2-CD1 4.45Å; I1128-L1156 HydrophobicContact CD1-CD1 4.42Å; V1152-L1156 HydrophobicContact CG1-CD1 4.12Å; V1152-L1156 HydrophobicContact CG1-CG 4.37Å; V1152-L1156 VanDerWaalsContact O-CG 3.32Å; V1152-L1156 WeakPolarHBondContact O-CG 3.19Å; V1152-L1156 PolarHBondContact O-N 2.82Å; F1153-L1156 PolarHBondContact O-N 2.91Å; E1154-L1156 VanDerWaalsContact C-N 3.34Å; E1154-L1156 PolarHBondContact O-N 3.37Å; L1156-S1159 VanDerWaalsContact O-CB 3.23Å; L1156-S1159 WeakPolarHBondContact O-CB 3.43Å; L1156-S1159 PolarHBondContact O-N 3.19Å; L1156-F1163 HydrophobicContact CB-CD2 4.27Å; L1156-F1163 HydrophobicContact CD2-CD2 4.05Å; L1156-F1163 HydrophobicContact CD2-CE2 4.13Å; L1156-V1165 HydrophobicContact CB-CG1 4.14Å; L1156-V1165 HydrophobicContact CD1-CG2 4.18Å; L1156-L1191 HydrophobicContact CD1-CD1 4.42Å; L1156-L1221 HydrophobicContact CD1-CD2 4.47Å; L1156-L1221 HydrophobicContact CD2-CD2 4.27Å; L1156-L1221 HydrophobicContact CD2-CG 4.35Å; L1156-I1222 HydrophobicContact CD2-CG1 4.06Å; L1156-L1225 HydrophobicContact CD1-CD1 4.02Å; L1156-L1225 HydrophobicContact CD2-CD1 3.38Å; L1156-L1225 HydrophobicContact CG-CD1 4.36Å
1157N91.5Very high92.8Very high86 Ų8661.4 Ų61.446%0.4631%0.312SS..Hα-helixtrans-68.2-36.6-177.7-170.349.1000112.5F1153 E1154 S1159 V1165F1153-N1157 HydrophobicContact CE1-CB 4.43Å; F1153-N1157 HydrophobicContact CZ-CB 4.37Å; F1153-N1157 WeakPolarHBondContact O-CB 3.39Å; F1153-N1157 PolarHBondContact O-N 2.89Å; E1154-N1157 PolarHBondContact O-N 3.41Å; N1157-S1159 VanDerWaalsContact C-N 3.32Å; N1157-V1165 HydrophobicContact CB-CG1 4.04Å
1158K90.1Very high93Very high158 Ų15857.8 Ų57.869%0.68729%0.287SS*.THydrogen-bonded Turntrans-85.4-2.6176.1-70.4170.4169153.30113.7E1154E1154-K1158 VanDerWaalsContact O-CB 3.26Å; E1154-K1158 WeakPolarHBondContact O-CB 3.42Å; E1154-K1158 WeakPolarHBondContact O-CG 3.5Å; E1154-K1158 PolarHBondContact O-N 2.86Å; E1154-K1158 WeakPolarHBondContact OE2-CE 3.49Å; E1154-K1158 IonicContact OE2-NZ 2.76Å; E1154-K1158 PolarHBondContact OE2-NZ 3.27Å
1159S90.7Very high93Very high15 Ų1560.2 Ų60.211%0.10530%0.297CS..SBendtrans-63.6141.3177.5-177.30000111L1155 L1156 N1157 K1161 Q1162 I1222L1155-S1159 PolarHBondContact O-N 2.82Å; L1156-S1159 VanDerWaalsContact O-CB 3.23Å; L1156-S1159 WeakPolarHBondContact O-CB 3.43Å; L1156-S1159 PolarHBondContact O-N 3.19Å; N1157-S1159 VanDerWaalsContact C-N 3.32Å; S1159-K1161 PolarHBondContact O-N 2.83Å; S1159-K1161 PolarHBondContact OG-N 3.1Å; S1159-Q1162 PolarHBondContact O-N 2.85Å; S1159-I1222 WeakPolarHBondContact OG-CG2 2.93Å
1160N82.6Confident92.9Very high141 Ų14164.3 Ų64.375%0.75431%0.312SS*.THydrogen-bonded Turntrans-64-7.6170.465-8.9000113.5
1161K82.5Confident92.4Very high114 Ų11466.3 Ų66.350%0.49633%0.326SS..THydrogen-bonded Turntrans-82.2-8.4175.3-58.1-61.5-175.8177.50114.1S1159 F1163 I1222 P1226S1159-K1161 PolarHBondContact O-N 2.83Å; S1159-K1161 PolarHBondContact OG-N 3.1Å; K1161-F1163 HydrophobicContact CB-CD2 4.19Å; K1161-F1163 HydrophobicContact CB-CE1 4.35Å; K1161-F1163 HydrophobicContact CB-CE2 3.6Å; K1161-F1163 HydrophobicContact CB-CZ 3.69Å; K1161-F1163 HydrophobicContact CG-CE2 4.24Å; K1161-F1163 HydrophobicContact CG-CZ 4.23Å; K1161-F1163 PolarHBondContact O-N 3.21Å; K1161-I1222 HydrophobicContact CG-CG2 4.3Å; K1161-P1226 HydrophobicContact CD-CG 4.37Å; K1161-P1226 HydrophobicContact CG-CG 4.35Å
1162Q82.6Confident91.9Very high164 Ų16468.8 Ų68.877%0.76633%0.333SS*.  trans55.449.6173.4-59.3-176.6-22.400114.9S1159S1159-Q1162 PolarHBondContact O-N 2.85Å
1163F95.7Very high91.6Very high12 Ų1270 Ų705%0.05334%0.341CS..  trans-65.8136.9176.2-60.9-70.1000111.9I1126 L1156 K1161 V1165 I1222 L1225 P1226 L1229I1126-F1163 HydrophobicContact CD1-CB 4.36Å; I1126-F1163 HydrophobicContact CD1-CD1 4.09Å; I1126-F1163 HydrophobicContact CD1-CG 4.27Å; L1156-F1163 HydrophobicContact CB-CD2 4.27Å; L1156-F1163 HydrophobicContact CD2-CD2 4.05Å; L1156-F1163 HydrophobicContact CD2-CE2 4.13Å; K1161-F1163 HydrophobicContact CB-CD2 4.19Å; K1161-F1163 HydrophobicContact CB-CE1 4.35Å; K1161-F1163 HydrophobicContact CB-CE2 3.6Å; K1161-F1163 HydrophobicContact CB-CZ 3.69Å; K1161-F1163 HydrophobicContact CG-CE2 4.24Å; K1161-F1163 HydrophobicContact CG-CZ 4.23Å; K1161-F1163 PolarHBondContact O-N 3.21Å; F1163-V1165 PolarHBondContact O-N 3.27Å; F1163-I1222 HydrophobicContact CE2-CG2 4.5Å; F1163-L1225 HydrophobicContact CE1-CB 3.69Å; F1163-L1225 HydrophobicContact CE1-CD1 4.45Å; F1163-L1225 HydrophobicContact CE2-CD1 4.39Å; F1163-L1225 HydrophobicContact CZ-CB 3.65Å; F1163-L1225 HydrophobicContact CZ-CD1 4.23Å; F1163-P1226 HydrophobicContact CE1-CG 4.13Å; F1163-P1226 HydrophobicContact CZ-CG 3.83Å; F1163-L1229 HydrophobicContact CD1-CD1 4Å; F1163-L1229 HydrophobicContact CE1-CD1 3.94Å
1164R96.4Very high91.1Very high72 Ų7271.3 Ų71.327%0.27236%0.355SS..  trans-83.892.6167.3-64.9-172.3-60.3-84.75.7109.4P1119 R1120 A1122 P1123 Y1124 Q1125 I1126P1119-R1164 PolarHBondContact O-NH2 2.93Å; R1120-R1164 PolarHBondContact O-NH2 3.26Å; A1122-R1164 VanDerWaalsContact O-CZ 3.31Å; A1122-R1164 PolarHBondContact O-NE 2.98Å; A1122-R1164 PolarHBondContact O-NH2 3.27Å; P1123-R1164 WeakPolarHBondContact O-CB 3.37Å; P1123-R1164 VanDerWaalsContact O-CD 3.32Å; P1123-R1164 WeakPolarHBondContact O-CD 3.38Å; P1123-R1164 PolarHBondContact O-NE 3.39Å; Y1124-R1164 CarbonylContact C-O 3.57Å; Y1124-R1164 WeakPolarHBondContact CA-O 3.33Å; Y1124-R1164 HydrophobicContact CD1-CB 4.48Å; Q1125-R1164 HydrophobicContact CG-CB 4.4Å; Q1125-R1164 PolarHBondContact N-O 3.43Å; Q1125-R1164 VanDerWaalsContact OE1-N 3.16Å; I1126-R1164 PolarHBondContact N-O 2.76Å
1165V97.9Very high90.7Very high11 Ų1169.4 Ų69.47%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-114.4147-174.362.80000111.7I1126 I1128 F1153 L1156 N1157 F1163I1126-V1165 HydrophobicContact CB-CB 4.49Å; I1126-V1165 HydrophobicContact CB-CG2 4.17Å; I1126-V1165 HydrophobicContact CG2-CG2 4.21Å; I1126-V1165 VanDerWaalsContact O-CA 3.32Å; I1126-V1165 WeakPolarHBondContact O-CA 3.49Å; I1128-V1165 HydrophobicContact CD1-CG2 3.77Å; I1128-V1165 HydrophobicContact CG1-CG2 4.12Å; F1153-V1165 HydrophobicContact CD2-CG1 3.9Å; F1153-V1165 HydrophobicContact CD2-CG2 4.1Å; F1153-V1165 HydrophobicContact CE2-CG1 3.86Å; L1156-V1165 HydrophobicContact CB-CG1 4.14Å; L1156-V1165 HydrophobicContact CD1-CG2 4.18Å; N1157-V1165 HydrophobicContact CB-CG1 4.04Å; F1163-V1165 PolarHBondContact O-N 3.27Å
1166H97.8Very high90.4Very high59 Ų5968.1 Ų68.127%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-135.7140.4171.5175.268.6000110.5Y1124 I1126 V1127 I1128 W1182Y1124-H1166 HydrophobicContact CD1-CB 3.98Å; Y1124-H1166 HydrophobicContact CD2-CB 3.65Å; Y1124-H1166 HydrophobicContact CE1-CB 4Å; Y1124-H1166 HydrophobicContact CE2-CB 3.68Å; Y1124-H1166 AromaticContact CE2-CG 3.91Å; Y1124-H1166 HydrophobicContact CG-CB 3.84Å; I1126-H1166 PolarHBondContact O-N 3.3Å; V1127-H1166 CarbonylContact C-O 3.57Å; V1127-H1166 VanDerWaalsContact CA-O 3.28Å; V1127-H1166 WeakPolarHBondContact CA-O 3.35Å; V1127-H1166 HydrophobicContact CG2-CB 4.28Å; I1128-H1166 PolarHBondContact N-O 3.13Å; H1166-W1182 AromaticContact CD2-CH2 3.69Å; H1166-W1182 AromaticContact CD2-CZ2 3.52Å; H1166-W1182 AromaticContact NE2-CZ2 3.81Å
1167C97.7Very high90.2Very high13 Ų1372.4 Ų72.49%0.08837%0.37CS..EExtended strand (participates in β ladder)trans-104115.4173.6-174.80000109.4I1128 F1153 D1169I1128-C1167 HydrophobicContact CB-CB 4.43Å; F1153-C1167 HydrophobicContact CB-CB 4.17Å; F1153-C1167 HydrophobicContact CD2-CB 3.96Å; F1153-C1167 HydrophobicContact CG-CB 4.14Å; C1167-D1169 PolarHBondContact O-N 2.83Å
1168D97Very high90.3Very high1 Ų168.7 Ų68.71%0.00535%0.349CS..  trans-93.582.1175.9-174.7-5.4000110.1V1127 I1128 P1130 R1170 K1178 W1182V1127-D1168 HydrophobicContact CG1-CB 4.21Å; I1128-D1168 PolarHBondContact O-N 2.66Å; P1130-D1168 WeakPolarHBondContact CD-O 3.33Å; D1168-R1170 WeakPolarHBondContact OD1-CB 3.41Å; D1168-R1170 WeakPolarHBondContact OD1-CG 3.31Å; D1168-R1170 IonicContact OD1-CZ 3.57Å; D1168-R1170 PolarHBondContact OD1-N 3.14Å; D1168-R1170 IonicContact OD1-NE 3.89Å; D1168-R1170 PolarHBondContact OD1-NE 2.84Å; D1168-R1170 IonicContact OD1-NH2 3.26Å; D1168-R1170 IonicContact OD2-CZ 3.6Å; D1168-R1170 IonicContact OD2-NE 3.26Å; D1168-R1170 IonicContact OD2-NH2 2.66Å; D1168-R1170 PolarHBondContact OD2-NH2 3.32Å; D1168-K1178 HydrophobicContact CB-CD 4.43Å; D1168-K1178 PolarHBondContact O-NZ 3.1Å; D1168-K1178 WeakPolarHBondContact OD1-CE 3.47Å; D1168-K1178 IonicContact OD1-NZ 3.74Å; D1168-K1178 WeakPolarHBondContact OD2-CG 3.32Å; D1168-W1182 HydrophobicContact CB-CZ2 4.22Å; D1168-W1182 PolarHBondContact OD2-NE1 2.98Å
1169D92Very high90.5Very high69 Ų6963.4 Ų63.437%0.36933%0.326SS..  trans-936.2179.162.8-4.1000113.8L1146 H1150 C1167 D1171L1146-D1169 HydrophobicContact CD2-CB 4.11Å; H1150-D1169 IonicContact CD2-OD2 3.59Å; H1150-D1169 IonicContact CE1-OD2 3.51Å; H1150-D1169 PolarHBondContact CE1-OD2 3.03Å; H1150-D1169 IonicContact NE2-OD2 2.73Å; H1150-D1169 PolarHBondContact NE2-OD2 3.11Å; C1167-D1169 PolarHBondContact O-N 2.83Å; D1169-D1171 PolarHBondContact O-N 3.35Å
1170R92.4Very high90.6Very high87 Ų8764.5 Ų64.533%0.32833%0.331SS..  trans-49.1126177.1-67.6-179-67.3-177.6-5.8111.7D1168 V1173 K1178D1168-R1170 WeakPolarHBondContact OD1-CB 3.41Å; D1168-R1170 WeakPolarHBondContact OD1-CG 3.31Å; D1168-R1170 IonicContact OD1-CZ 3.57Å; D1168-R1170 PolarHBondContact OD1-N 3.14Å; D1168-R1170 IonicContact OD1-NE 3.89Å; D1168-R1170 PolarHBondContact OD1-NE 2.84Å; D1168-R1170 IonicContact OD1-NH2 3.26Å; D1168-R1170 IonicContact OD2-CZ 3.6Å; D1168-R1170 IonicContact OD2-NE 3.26Å; D1168-R1170 IonicContact OD2-NH2 2.66Å; D1168-R1170 PolarHBondContact OD2-NH2 3.32Å; R1170-V1173 HydrophobicContact CB-CG2 4.03Å; R1170-K1178 WeakPolarHBondContact O-CE 3.41Å; R1170-K1178 PolarHBondContact O-NZ 3.19Å
1171D84.6Confident91.2Very high119 Ų11959 Ų5964%0.63630%0.301SS*.SBendtrans-98.4-8.9-175.965-8.1000114.1R1142 D1169 V1173R1142-D1171 IonicContact NH2-OD2 3.15Å; R1142-D1171 PolarHBondContact NH2-OD2 2.94Å; R1142-D1171 VanDerWaalsContact NH2-OD2 3.13Å; D1169-D1171 PolarHBondContact O-N 3.35Å; D1171-V1173 VanDerWaalsContact C-N 3.25Å; D1171-V1173 PolarHBondContact O-N 2.53Å
1172N85.2Confident91.9Very high127 Ų12754.3 Ų54.368%0.67928%0.28SS*.SBendtrans-77.6-6.1175.570.2-32.7000113.9
1173V87Confident92.6Very high31 Ų3148.8 Ų48.819%0.18825%0.254CS..SBendtrans-131.8142.5178.7-680000111.3R1170 D1171 W1177 K1178R1170-V1173 HydrophobicContact CB-CG2 4.03Å; D1171-V1173 VanDerWaalsContact C-N 3.25Å; D1171-V1173 PolarHBondContact O-N 2.53Å; V1173-W1177 HydrophobicContact CB-CB 4.48Å; V1173-W1177 HydrophobicContact CB-CD2 4.1Å; V1173-W1177 HydrophobicContact CB-CE3 3.71Å; V1173-W1177 HydrophobicContact CB-CG 4.43Å; V1173-W1177 HydrophobicContact CB-CZ3 4.36Å; V1173-W1177 HydrophobicContact CG1-CD2 4.04Å; V1173-W1177 HydrophobicContact CG1-CE3 3.82Å; V1173-W1177 HydrophobicContact CG1-CZ3 4.14Å; V1173-W1177 HydrophobicContact CG2-CE3 3.84Å; V1173-W1177 HydrophobicContact CG2-CZ3 4.19Å; V1173-K1178 HydrophobicContact CG2-CD 4.31Å; V1173-K1178 HydrophobicContact CG2-CG 3.74Å
1174S86.3Confident92.7Very high73 Ų7348.3 Ų48.351%0.5125%0.252SS..  trans-71.4154.1-179.670.30000111.8G1176 W1177 K1178S1174-G1176 PolarHBondContact O-N 3.19Å; S1174-W1177 WeakPolarHBondContact O-CB 3.37Å; S1174-W1177 PolarHBondContact O-N 3.1Å; S1174-W1177 PolarHBondContact OG-N 3Å; S1174-K1178 PolarHBondContact O-N 3.43Å
1175P86.5Confident92.7Very high32 Ų3245.5 Ų45.521%0.20824%0.242CC..Hα-helixtrans-53.8-41174.4-28.335.5000113W1177 K1178 F1179P1175-W1177 VanDerWaalsContact C-N 3.28Å; P1175-W1177 PolarHBondContact O-N 3.48Å; P1175-K1178 WeakPolarHBondContact O-CB 2.85Å; P1175-K1178 PolarHBondContact O-N 3.2Å; P1175-K1178 VanDerWaalsContact O-N 3.13Å; P1175-F1179 HydrophobicContact CB-CE1 4.17Å; P1175-F1179 HydrophobicContact CB-CZ 4.06Å; P1175-F1179 WeakPolarHBondContact O-CD1 3.35Å; P1175-F1179 WeakPolarHBondContact O-CG 3.49Å; P1175-F1179 PolarHBondContact O-N 3.48Å
1176G87.3Confident92.7Very high46 Ų4645 Ų4547%0.47424%0.239SC..Hα-helixtrans-61.4-34.6176.500000113.6S1174 N1180S1174-G1176 PolarHBondContact O-N 3.19Å; G1176-N1180 PolarHBondContact O-N 3.14Å
1177W89.7Confident92.8Very high91 Ų9142.4 Ų42.435%0.34523%0.227SC..Hα-helixtrans-68.5-45.4172.9-173.696.8000111.1L837 V1173 S1174 P1175 F1179 N1180 H1181L837-W1177 HydrophobicContact CD1-CZ2 4.16Å; V1173-W1177 HydrophobicContact CB-CB 4.48Å; V1173-W1177 HydrophobicContact CB-CD2 4.1Å; V1173-W1177 HydrophobicContact CB-CE3 3.71Å; V1173-W1177 HydrophobicContact CB-CG 4.43Å; V1173-W1177 HydrophobicContact CB-CZ3 4.36Å; V1173-W1177 HydrophobicContact CG1-CD2 4.04Å; V1173-W1177 HydrophobicContact CG1-CE3 3.82Å; V1173-W1177 HydrophobicContact CG1-CZ3 4.14Å; V1173-W1177 HydrophobicContact CG2-CE3 3.84Å; V1173-W1177 HydrophobicContact CG2-CZ3 4.19Å; S1174-W1177 WeakPolarHBondContact O-CB 3.37Å; S1174-W1177 PolarHBondContact O-N 3.1Å; S1174-W1177 PolarHBondContact OG-N 3Å; P1175-W1177 VanDerWaalsContact C-N 3.28Å; P1175-W1177 PolarHBondContact O-N 3.48Å; W1177-F1179 VanDerWaalsContact C-N 3.29Å; W1177-F1179 PolarHBondContact O-N 3.18Å; W1177-N1180 PolarHBondContact O-N 2.89Å; W1177-H1181 HydrophobicContact CE3-CB 4.1Å; W1177-H1181 HydrophobicContact CH2-CB 4.06Å; W1177-H1181 AromaticContact CH2-CG 3.88Å; W1177-H1181 AromaticContact CH2-ND1 3.85Å; W1177-H1181 HydrophobicContact CZ3-CB 3.76Å; W1177-H1181 AromaticContact CZ3-CG 3.84Å; W1177-H1181 WeakPolarHBondContact O-CB 3.22Å; W1177-H1181 PolarHBondContact O-N 2.98Å
1178K94Very high92.8Very high8 Ų841.9 Ų41.94%0.03522%0.223CC..Hα-helixtrans-58.6-41.8176.4-61.2176.3-179.5-175.50111.5V1129 D1168 R1170 V1173 S1174 P1175 N1180 H1181 W1182V1129-K1178 HydrophobicContact CG1-CB 4.21Å; V1129-K1178 HydrophobicContact CG1-CD 3.8Å; D1168-K1178 HydrophobicContact CB-CD 4.43Å; D1168-K1178 PolarHBondContact O-NZ 3.1Å; D1168-K1178 WeakPolarHBondContact OD1-CE 3.47Å; D1168-K1178 IonicContact OD1-NZ 3.74Å; D1168-K1178 WeakPolarHBondContact OD2-CG 3.32Å; R1170-K1178 WeakPolarHBondContact O-CE 3.41Å; R1170-K1178 PolarHBondContact O-NZ 3.19Å; V1173-K1178 HydrophobicContact CG2-CD 4.31Å; V1173-K1178 HydrophobicContact CG2-CG 3.74Å; S1174-K1178 PolarHBondContact O-N 3.43Å; P1175-K1178 WeakPolarHBondContact O-CB 2.85Å; P1175-K1178 PolarHBondContact O-N 3.2Å; P1175-K1178 VanDerWaalsContact O-N 3.13Å; K1178-N1180 VanDerWaalsContact C-N 3.34Å; K1178-N1180 PolarHBondContact O-N 3.38Å; K1178-H1181 PolarHBondContact O-N 3.42Å; K1178-W1182 PolarHBondContact O-N 3.47Å
1179F94.5Very high92.9Very high46 Ų4641.8 Ų41.820%0.20222%0.223CC..Hα-helixtrans-58.1-48.5178.2-62.4-9.5000111.4V1129 C1131 P1175 W1177 E1183 E1192V1129-F1179 HydrophobicContact CB-CE1 4.1Å; V1129-F1179 HydrophobicContact CG1-CD1 4.19Å; V1129-F1179 HydrophobicContact CG1-CE1 3.7Å; C1131-F1179 VanDerWaalsContact SG-CZ 3.51Å; P1175-F1179 HydrophobicContact CB-CE1 4.17Å; P1175-F1179 HydrophobicContact CB-CZ 4.06Å; P1175-F1179 WeakPolarHBondContact O-CD1 3.35Å; P1175-F1179 WeakPolarHBondContact O-CG 3.49Å; P1175-F1179 PolarHBondContact O-N 3.48Å; W1177-F1179 VanDerWaalsContact C-N 3.29Å; W1177-F1179 PolarHBondContact O-N 3.18Å; F1179-E1183 WeakPolarHBondContact O-CB 3.5Å; F1179-E1183 PolarHBondContact O-N 3.12Å; F1179-E1192 HydrophobicContact CE1-CG 4.08Å; F1179-E1192 HydrophobicContact CZ-CG 4.15Å
1180N93.4Very high93.2Very high38 Ų3839.6 Ų39.620%0.20321%0.21CC..Hα-helixtrans-67.4-39.1179.2-176-107.5000111.8L837 G1176 W1177 K1178 E1183 L1184L837-N1180 WeakPolarHBondContact CB-OD1 3.33Å; L837-N1180 WeakPolarHBondContact CD1-OD1 3.28Å; G1176-N1180 PolarHBondContact O-N 3.14Å; W1177-N1180 PolarHBondContact O-N 2.89Å; K1178-N1180 VanDerWaalsContact C-N 3.34Å; K1178-N1180 PolarHBondContact O-N 3.38Å; N1180-E1183 PolarHBondContact O-N 2.91Å; N1180-L1184 VanDerWaalsContact O-CB 3.25Å; N1180-L1184 WeakPolarHBondContact O-CB 3.22Å; N1180-L1184 PolarHBondContact O-N 3.22Å
1181H95.6Very high93.5Very high25 Ų2535.4 Ų35.412%0.11619%0.194CC..Hα-helixtrans-59.4-49.4175.4-179.468.9000112.2W1177 K1178 L1184 K1185W1177-H1181 HydrophobicContact CE3-CB 4.1Å; W1177-H1181 HydrophobicContact CH2-CB 4.06Å; W1177-H1181 AromaticContact CH2-CG 3.88Å; W1177-H1181 AromaticContact CH2-ND1 3.85Å; W1177-H1181 HydrophobicContact CZ3-CB 3.76Å; W1177-H1181 AromaticContact CZ3-CG 3.84Å; W1177-H1181 WeakPolarHBondContact O-CB 3.22Å; W1177-H1181 PolarHBondContact O-N 2.98Å; K1178-H1181 PolarHBondContact O-N 3.42Å; H1181-L1184 PolarHBondContact O-N 3.3Å; H1181-K1185 VanDerWaalsContact O-CG 3.22Å; H1181-K1185 WeakPolarHBondContact O-CG 3.36Å; H1181-K1185 PolarHBondContact O-N 3.25Å
1182W97.3Very high94.1Very high16 Ų1630.5 Ų30.56%0.06117%0.167CC..Hα-helixtrans-76.1-27.2-178.9-64.2116.8000113.6W875 Y1124 V1127 H1166 D1168 K1178 K1185 G1186 V1187W875-W1182 AromaticContact CH2-CZ3 3.89Å; W875-W1182 HydrophobicContact CH2-CZ3 3.89Å; W875-W1182 HydrophobicContact CZ3-CZ3 4.28Å; Y1124-W1182 HydrophobicContact CD2-CH2 4.46Å; Y1124-W1182 HydrophobicContact CD2-CZ3 4.35Å; V1127-W1182 HydrophobicContact CB-CD2 4.32Å; V1127-W1182 HydrophobicContact CB-CG 4.37Å; V1127-W1182 HydrophobicContact CG1-CD2 3.94Å; V1127-W1182 HydrophobicContact CG1-CG 3.95Å; V1127-W1182 HydrophobicContact CG1-CZ2 4.27Å; V1127-W1182 HydrophobicContact CG2-CD2 3.9Å; V1127-W1182 HydrophobicContact CG2-CE3 3.88Å; V1127-W1182 HydrophobicContact CG2-CG 4.42Å; V1127-W1182 HydrophobicContact CG2-CH2 4.33Å; V1127-W1182 HydrophobicContact CG2-CZ2 4.39Å; V1127-W1182 HydrophobicContact CG2-CZ3 4.1Å; H1166-W1182 AromaticContact CD2-CH2 3.69Å; H1166-W1182 AromaticContact CD2-CZ2 3.52Å; H1166-W1182 AromaticContact NE2-CZ2 3.81Å; D1168-W1182 HydrophobicContact CB-CZ2 4.22Å; D1168-W1182 PolarHBondContact OD2-NE1 2.98Å; K1178-W1182 PolarHBondContact O-N 3.47Å; W1182-K1185 HydrophobicContact CE3-CB 4.24Å; W1182-K1185 HydrophobicContact CE3-CG 4.33Å; W1182-G1186 PolarHBondContact O-N 3.39Å; W1182-V1187 HydrophobicContact CB-CG2 4.46Å; W1182-V1187 HydrophobicContact CD2-CG2 4.42Å; W1182-V1187 HydrophobicContact CE3-CG2 3.59Å; W1182-V1187 HydrophobicContact CZ3-CG2 4.24Å; W1182-V1187 PolarHBondContact O-N 2.71Å
1183E97Very high94.5Very high49 Ų4924.5 Ų24.523%0.22914%0.135CC..Hα-helixtrans-64.8-44.9169.1-176.8173.968.200111K1113 F1179 N1180 K1185 G1186 R1208K1113-E1183 HydrophobicContact CB-CG 4.33Å; F1179-E1183 WeakPolarHBondContact O-CB 3.5Å; F1179-E1183 PolarHBondContact O-N 3.12Å; N1180-E1183 PolarHBondContact O-N 2.91Å; E1183-K1185 VanDerWaalsContact C-N 3.32Å; E1183-K1185 PolarHBondContact O-N 3.3Å; E1183-G1186 PolarHBondContact O-N 2.84Å; E1183-G1186 VanDerWaalsContact O-N 3.13Å; E1183-R1208 PolarHBondContact O-NE 3.16Å
1184L97Very high94.7Very high2 Ų223.1 Ų23.11%0.0113%0.127CC..Hα-helixtrans-62.9-38.3176.8-178.562.2000112.4L837 I839 K857 L1115 N1180 H1181 G1186L837-L1184 HydrophobicContact CB-CD2 4.27Å; L837-L1184 HydrophobicContact CD2-CD2 4.02Å; L837-L1184 WeakPolarHBondContact O-CD2 3.46Å; I839-L1184 HydrophobicContact CD1-CD1 4.25Å; I839-L1184 HydrophobicContact CG1-CD1 4.14Å; K857-L1184 HydrophobicContact CB-CD1 4.2Å; K857-L1184 HydrophobicContact CB-CD2 4.09Å; K857-L1184 WeakPolarHBondContact O-CD2 3.5Å; L1115-L1184 PolarHBondContact N-O 3.29Å; N1180-L1184 VanDerWaalsContact O-CB 3.25Å; N1180-L1184 WeakPolarHBondContact O-CB 3.22Å; N1180-L1184 PolarHBondContact O-N 3.22Å; H1181-L1184 PolarHBondContact O-N 3.3Å; L1184-G1186 PolarHBondContact O-N 3.02Å
1185K97.2Very high94.8Very high13 Ų1323.5 Ų23.56%0.05713%0.128CC..THydrogen-bonded Turntrans-72.3-13.1175.8-72.3-78.6-178.3174.60114.5S858 E859 W875 H1181 W1182 E1183 V1187S858-K1185 WeakPolarHBondContact O-CD 3.03Å; S858-K1185 VanDerWaalsContact O-CE 3.27Å; S858-K1185 WeakPolarHBondContact O-CE 3.45Å; S858-K1185 PolarHBondContact O-NZ 2.7Å; E859-K1185 VanDerWaalsContact CB-NZ 3.34Å; E859-K1185 WeakPolarHBondContact OE2-CE 3.34Å; E859-K1185 IonicContact OE2-NZ 3.86Å; E859-K1185 PolarHBondContact OE2-NZ 3.46Å; W875-K1185 HydrophobicContact CD2-CD 4.16Å; W875-K1185 HydrophobicContact CG-CD 4.33Å; W875-K1185 HydrophobicContact CZ2-CB 4.19Å; W875-K1185 PolarHBondContact NE1-O 2.86Å; W875-K1185 VanDerWaalsContact NE1-O 3.13Å; H1181-K1185 VanDerWaalsContact O-CG 3.22Å; H1181-K1185 WeakPolarHBondContact O-CG 3.36Å; H1181-K1185 PolarHBondContact O-N 3.25Å; W1182-K1185 HydrophobicContact CE3-CB 4.24Å; W1182-K1185 HydrophobicContact CE3-CG 4.33Å; E1183-K1185 VanDerWaalsContact C-N 3.32Å; E1183-K1185 PolarHBondContact O-N 3.3Å; K1185-V1187 HydrophobicContact CB-CG2 4.48Å
1186G98Very high94.9Very high0 Ų027.5 Ų27.50%014%0.144CC..THydrogen-bonded Turntrans72.327.4176.100000115.4L1115 L1117 W1182 E1183 L1184L1115-G1186 WeakPolarHBondContact O-CA 3.5Å; L1117-G1186 WeakPolarHBondContact CB-O 3.23Å; L1117-G1186 PolarHBondContact N-O 3.04Å; W1182-G1186 PolarHBondContact O-N 3.39Å; E1183-G1186 PolarHBondContact O-N 2.84Å; E1183-G1186 VanDerWaalsContact O-N 3.13Å; L1184-G1186 PolarHBondContact O-N 3.02Å
1187V98.7Very high95Very high5 Ų527.7 Ų27.73%0.0313%0.132CC..  trans-59.3126.1174.7174.60000109.2W875 V1127 W1182 K1185 I1189 R1208W875-V1187 HydrophobicContact CH2-CG2 4.23Å; W875-V1187 HydrophobicContact CZ2-CG2 3.99Å; V1127-V1187 HydrophobicContact CB-CG1 4.14Å; V1127-V1187 HydrophobicContact CG2-CB 4.4Å; V1127-V1187 HydrophobicContact CG2-CG1 3.8Å; V1127-V1187 HydrophobicContact CG2-CG2 3.92Å; W1182-V1187 HydrophobicContact CB-CG2 4.46Å; W1182-V1187 HydrophobicContact CD2-CG2 4.42Å; W1182-V1187 HydrophobicContact CE3-CG2 3.59Å; W1182-V1187 HydrophobicContact CZ3-CG2 4.24Å; W1182-V1187 PolarHBondContact O-N 2.71Å; K1185-V1187 HydrophobicContact CB-CG2 4.48Å; V1187-I1189 WeakPolarHBondContact CG1-O 3.44Å; V1187-I1189 PolarHBondContact O-N 3.46Å; V1187-R1208 WeakPolarHBondContact O-CB 3.4Å
1188P98.8Very high94.9Very high1 Ų125.4 Ų25.41%0.00613%0.128CC..SBendtrans-57-43.4-173.9-2429.2000114.4P1119 A1122 Y1124 Q1125 R1208P1119-P1188 HydrophobicContact CB-CG 4.43Å; P1119-P1188 HydrophobicContact CG-CB 4Å; P1119-P1188 HydrophobicContact CG-CG 4.16Å; A1122-P1188 HydrophobicContact CB-CG 3.7Å; Y1124-P1188 VanDerWaalsContact O-CD 3.31Å; Y1124-P1188 WeakPolarHBondContact O-CD 3.44Å; Q1125-P1188 WeakPolarHBondContact O-CD 3.33Å; P1188-R1208 PolarHBondContact O-N 3.1Å
1189I98.8Very high94.7Very high0 Ų028.7 Ų28.70%016%0.157CC..EExtended strand (participates in β ladder)trans-127121.8-178.5-59.4-178.2000110Q1125 I1126 V1127 V1187 L1205 L1207 L1225 I1228 L1229 I1232Q1125-I1189 PolarHBondContact O-N 3.39Å; I1126-I1189 VanDerWaalsContact CA-O 3.31Å; I1126-I1189 WeakPolarHBondContact CA-O 3.38Å; I1126-I1189 HydrophobicContact CG1-CB 4.18Å; I1126-I1189 HydrophobicContact CG1-CD1 4.49Å; I1126-I1189 HydrophobicContact CG2-CG2 4.41Å; V1127-I1189 PolarHBondContact N-O 3.43Å; V1187-I1189 WeakPolarHBondContact CG1-O 3.44Å; V1187-I1189 PolarHBondContact O-N 3.46Å; I1189-L1205 HydrophobicContact CG2-CB 4.02Å; I1189-L1205 HydrophobicContact CG2-CD2 3.92Å; I1189-L1205 HydrophobicContact CG2-CG 4.38Å; I1189-L1207 HydrophobicContact CD1-CD2 4.47Å; I1189-L1207 HydrophobicContact CG1-CD2 4.09Å; I1189-L1225 HydrophobicContact CD1-CD2 3.89Å; I1189-I1228 HydrophobicContact CD1-CG2 3.9Å; I1189-L1229 HydrophobicContact CD1-CD2 3.56Å; I1189-L1229 HydrophobicContact CD1-CG 4.15Å; I1189-L1229 HydrophobicContact CG1-CD2 4.1Å; I1189-I1232 HydrophobicContact CD1-CD1 3.96Å; I1189-I1232 HydrophobicContact CG1-CD1 3.73Å
1190R98.3Very high94.7Very high22 Ų2230.4 Ų30.48%0.08317%0.169CC..EExtended strand (participates in β ladder)trans-98.3115162.6-175.5178.167.4-109.1-2.4109V1127 V1129 E1192 V1206V1127-R1190 CarbonylContact O-C 3.59Å; V1127-R1190 WeakPolarHBondContact O-CA 3.36Å; V1129-R1190 HydrophobicContact CG2-CG 4.01Å; R1190-E1192 HydrophobicContact CG-CG 4.4Å; R1190-E1192 IonicContact CZ-OE1 2.64Å; R1190-E1192 VanDerWaalsContact CZ-OE1 3.26Å; R1190-E1192 IonicContact NE-OE1 3.54Å; R1190-E1192 PolarHBondContact NE-OE1 3.4Å; R1190-E1192 IonicContact NH2-OE1 3.2Å; R1190-E1192 PolarHBondContact NH2-OE1 3.19Å; R1190-V1206 HydrophobicContact CB-CB 4.41Å; R1190-V1206 PolarHBondContact N-O 2.71Å; R1190-V1206 PolarHBondContact O-N 3.11Å
1191L98.3Very high94.6Very high0 Ų035.7 Ų35.70%019%0.186CC..EExtended strand (participates in β ladder)trans-93.5110.8178.6-170.9163.4000108.8I1126 V1127 I1128 V1129 V1152 L1156 I1193 V1203 C1204 L1205 L1221I1126-L1191 HydrophobicContact CG2-CB 4.02Å; I1126-L1191 HydrophobicContact CG2-CD1 4.34Å; V1127-L1191 PolarHBondContact O-N 3.46Å; I1128-L1191 CarbonylContact C-O 3.54Å; I1128-L1191 WeakPolarHBondContact CA-O 3.45Å; I1128-L1191 HydrophobicContact CG1-CB 4.25Å; I1128-L1191 HydrophobicContact CG1-CD1 4.38Å; I1128-L1191 HydrophobicContact CG1-CD2 4.29Å; I1128-L1191 HydrophobicContact CG2-CD2 4.22Å; V1129-L1191 PolarHBondContact N-O 2.93Å; V1152-L1191 HydrophobicContact CG1-CD1 4.1Å; L1156-L1191 HydrophobicContact CD1-CD1 4.42Å; L1191-I1193 HydrophobicContact CD2-CD1 3.57Å; L1191-I1193 HydrophobicContact CD2-CG1 3.29Å; L1191-V1203 HydrophobicContact CD1-CB 4.3Å; L1191-V1203 HydrophobicContact CD1-CG2 4.08Å; L1191-V1203 HydrophobicContact CD2-CB 3.75Å; L1191-V1203 HydrophobicContact CD2-CG1 3.85Å; L1191-V1203 HydrophobicContact CD2-CG2 4.42Å; L1191-V1203 HydrophobicContact CG-CB 3.97Å; L1191-V1203 HydrophobicContact CG-CG1 4.44Å; L1191-V1203 HydrophobicContact CG-CG2 4.14Å; L1191-C1204 CarbonylContact C-O 3.49Å; L1191-C1204 WeakPolarHBondContact CA-O 3.35Å; L1191-L1205 HydrophobicContact CB-CD2 3.96Å; L1191-L1205 HydrophobicContact CD1-CD2 3.75Å; L1191-L1205 HydrophobicContact CG-CD2 3.61Å; L1191-L1221 HydrophobicContact CD1-CD1 4.47Å; L1191-L1221 HydrophobicContact CD1-CD2 3.93Å
1192E96.4Very high94.6Very high16 Ų1638.7 Ų38.78%0.07520%0.198CC..EExtended strand (participates in β ladder)trans-94.7129.1179-64.3174.9-171.400109.5F1179 R1190 C1204 V1206 R1213F1179-E1192 HydrophobicContact CE1-CG 4.08Å; F1179-E1192 HydrophobicContact CZ-CG 4.15Å; R1190-E1192 HydrophobicContact CG-CG 4.4Å; R1190-E1192 IonicContact CZ-OE1 2.64Å; R1190-E1192 VanDerWaalsContact CZ-OE1 3.26Å; R1190-E1192 IonicContact NE-OE1 3.54Å; R1190-E1192 PolarHBondContact NE-OE1 3.4Å; R1190-E1192 IonicContact NH2-OE1 3.2Å; R1190-E1192 PolarHBondContact NH2-OE1 3.19Å; E1192-C1204 HydrophobicContact CB-CB 4.25Å; E1192-C1204 PolarHBondContact N-O 3.39Å; E1192-C1204 PolarHBondContact O-N 3.32Å; E1192-C1204 VanDerWaalsContact O-N 3.1Å; E1192-V1206 HydrophobicContact CG-CG2 4.3Å; E1192-V1206 VanDerWaalsContact OE1-CG2 3.31Å; E1192-V1206 WeakPolarHBondContact OE1-CG2 3.46Å; E1192-R1213 IonicContact OE2-CZ 3.6Å; E1192-R1213 IonicContact OE2-NH1 2.83Å; E1192-R1213 PolarHBondContact OE2-NH1 3.16Å
1193I93.4Very high94.5Very high0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-126.7114.1174.2-53.1-178.4000107.8I1128 V1129 P1130 C1131 L1145 A1149 V1152 L1191 E1197 V1198 V1203 M1218I1128-I1193 HydrophobicContact CG2-CD1 4.03Å; I1128-I1193 HydrophobicContact CG2-CG1 4.49Å; V1129-I1193 PolarHBondContact O-N 3.34Å; P1130-I1193 CarbonylContact C-O 3.58Å; P1130-I1193 WeakPolarHBondContact CA-O 3.35Å; C1131-I1193 PolarHBondContact N-O 3.3Å; L1145-I1193 HydrophobicContact CD1-CG2 3.97Å; L1145-I1193 WeakPolarHBondContact CD1-O 3.34Å; A1149-I1193 HydrophobicContact CB-CD1 4.41Å; V1152-I1193 HydrophobicContact CB-CD1 4.04Å; V1152-I1193 HydrophobicContact CG1-CD1 4.38Å; V1152-I1193 HydrophobicContact CG2-CD1 3.79Å; L1191-I1193 HydrophobicContact CD2-CD1 3.57Å; L1191-I1193 HydrophobicContact CD2-CG1 3.29Å; I1193-E1197 HydrophobicContact CG2-CB 4.44Å; I1193-V1198 HydrophobicContact CG2-CG2 3.65Å; I1193-V1203 HydrophobicContact CD1-CG1 4.11Å; I1193-V1203 HydrophobicContact CG1-CG1 4.04Å; I1193-M1218 HydrophobicContact CD1-CE 4.44Å; I1193-M1218 HydrophobicContact CG2-CE 4.27Å
1194G91.8Very high94.5Very high3 Ų336 Ų363%0.03119%0.187CC..  trans-116.5-177.9170.900000112.3C1131 Q1196 E1197 V1198C1131-G1194 WeakPolarHBondContact O-CA 3.24Å; G1194-Q1196 PolarHBondContact O-N 2.8Å; G1194-E1197 WeakPolarHBondContact CA-OE2 3.44Å; G1194-E1197 PolarHBondContact N-OE2 2.88Å; G1194-E1197 PolarHBondContact O-N 3.47Å; G1194-V1198 WeakPolarHBondContact O-CG2 3.32Å; G1194-V1198 PolarHBondContact O-N 2.69Å
1195P87.9Confident94.6Very high81 Ų8135.9 Ų35.953%0.52619%0.187SC..Hα-helixtrans-57.2-35.8179.9-26.535000113.8A1199P1195-A1199 WeakPolarHBondContact O-CB 3.39Å; P1195-A1199 PolarHBondContact O-N 2.88Å
1196Q88.6Confident94.6Very high115 Ų11535.8 Ų35.854%0.53719%0.187SC..Hα-helixtrans-69.5-44.6178.3-174.562.944.500111.3G1194 V1198 A1199 D1200G1194-Q1196 PolarHBondContact O-N 2.8Å; Q1196-V1198 VanDerWaalsContact C-N 3.3Å; Q1196-V1198 PolarHBondContact O-N 2.91Å; Q1196-A1199 PolarHBondContact O-N 2.8Å; Q1196-D1200 VanDerWaalsContact NE2-CG 3.28Å; Q1196-D1200 PolarHBondContact NE2-OD1 2.91Å; Q1196-D1200 PolarHBondContact NE2-OD2 2.97Å; Q1196-D1200 WeakPolarHBondContact O-CB 3.17Å; Q1196-D1200 PolarHBondContact O-N 2.83Å
1197E90.1Very high94.6Very high50 Ų5036.3 Ų36.323%0.23419%0.19CC..Hα-helixtrans-60.7-40.6176.8-72.574.3-15700111.6I1193 G1194 D1200 R1201 K1202I1193-E1197 HydrophobicContact CG2-CB 4.44Å; G1194-E1197 WeakPolarHBondContact CA-OE2 3.44Å; G1194-E1197 PolarHBondContact N-OE2 2.88Å; G1194-E1197 PolarHBondContact O-N 3.47Å; E1197-D1200 PolarHBondContact O-N 3.02Å; E1197-R1201 PolarHBondContact O-N 3.03Å; E1197-K1202 CarbonylContact C-O 3.56Å; E1197-K1202 VanDerWaalsContact CB-O 3.3Å; E1197-K1202 WeakPolarHBondContact CB-O 3.15Å; E1197-K1202 PolarHBondContact O-N 2.91Å; E1197-K1202 VanDerWaalsContact O-O 3.04Å
1198V88.6Confident94.6Very high43 Ų4337 Ų3726%0.26119%0.192SC..Hα-helixtrans-63.4-45.7173.7175.20000111.2L1145 A1148 I1193 G1194 Q1196 D1200 R1201L1145-V1198 HydrophobicContact CD1-CG2 3.79Å; A1148-V1198 HydrophobicContact CB-CG2 3.75Å; I1193-V1198 HydrophobicContact CG2-CG2 3.65Å; G1194-V1198 WeakPolarHBondContact O-CG2 3.32Å; G1194-V1198 PolarHBondContact O-N 2.69Å; Q1196-V1198 VanDerWaalsContact C-N 3.3Å; Q1196-V1198 PolarHBondContact O-N 2.91Å; V1198-D1200 VanDerWaalsContact C-N 3.34Å; V1198-D1200 PolarHBondContact O-N 2.82Å; V1198-R1201 PolarHBondContact O-N 2.7Å
1199A89.9Confident94.6Very high78 Ų7838.9 Ų38.965%0.64520%0.201SC*.Hα-helixtrans-62.5-39.9178.800000112.4P1195 Q1196 R1201P1195-A1199 WeakPolarHBondContact O-CB 3.39Å; P1195-A1199 PolarHBondContact O-N 2.88Å; Q1196-A1199 PolarHBondContact O-N 2.8Å; A1199-R1201 VanDerWaalsContact C-N 3.32Å; A1199-R1201 PolarHBondContact O-N 3.08Å
1200D92.6Very high94.5Very high82 Ų8242.9 Ų42.944%0.43923%0.225SC..THydrogen-bonded Turntrans-85.3-1.3-179.2-66.5-22.8000113.6Q1196 E1197 V1198 K1202Q1196-D1200 VanDerWaalsContact NE2-CG 3.28Å; Q1196-D1200 PolarHBondContact NE2-OD1 2.91Å; Q1196-D1200 PolarHBondContact NE2-OD2 2.97Å; Q1196-D1200 WeakPolarHBondContact O-CB 3.17Å; Q1196-D1200 PolarHBondContact O-N 2.83Å; E1197-D1200 PolarHBondContact O-N 3.02Å; V1198-D1200 VanDerWaalsContact C-N 3.34Å; V1198-D1200 PolarHBondContact O-N 2.82Å; D1200-K1202 VanDerWaalsContact C-N 3.25Å; D1200-K1202 HydrophobicContact CB-CB 4.45Å; D1200-K1202 HydrophobicContact CB-CD 4.15Å; D1200-K1202 HydrophobicContact CB-CG 4.36Å; D1200-K1202 PolarHBondContact O-N 2.8Å
1201R93.2Very high94.3Very high148 Ų14843.7 Ų43.756%0.55824%0.24SC*.THydrogen-bonded Turntrans49.943.6-170.9-63.9-177.862.8120.70.5112.9E1197 V1198 A1199 M1218 D1219E1197-R1201 PolarHBondContact O-N 3.03Å; V1198-R1201 PolarHBondContact O-N 2.7Å; A1199-R1201 VanDerWaalsContact C-N 3.32Å; A1199-R1201 PolarHBondContact O-N 3.08Å; R1201-M1218 PolarHBondContact O-N 3.26Å; R1201-D1219 IonicContact CZ-OD1 3.72Å; R1201-D1219 IonicContact NE-OD1 3.66Å; R1201-D1219 IonicContact NE-OD2 3.54Å; R1201-D1219 IonicContact NH2-OD1 2.77Å; R1201-D1219 PolarHBondContact NH2-OD1 3.1Å; R1201-D1219 IonicContact NH2-OD2 3.25Å
1202K94.1Very high94.2Very high89 Ų8949 Ų4939%0.38727%0.265SS..EExtended strand (participates in β ladder)trans-124167.4179.2-72.4172-172172.70110.4E1197 D1200 V1216 M1218E1197-K1202 CarbonylContact C-O 3.56Å; E1197-K1202 VanDerWaalsContact CB-O 3.3Å; E1197-K1202 WeakPolarHBondContact CB-O 3.15Å; E1197-K1202 PolarHBondContact O-N 2.91Å; E1197-K1202 VanDerWaalsContact O-O 3.04Å; D1200-K1202 VanDerWaalsContact C-N 3.25Å; D1200-K1202 HydrophobicContact CB-CB 4.45Å; D1200-K1202 HydrophobicContact CB-CD 4.15Å; D1200-K1202 HydrophobicContact CB-CG 4.36Å; D1200-K1202 PolarHBondContact O-N 2.8Å; K1202-V1216 CarbonylContact C-O 3.52Å; K1202-V1216 WeakPolarHBondContact CA-O 3.33Å; K1202-M1218 WeakPolarHBondContact O-CE 2.93Å
1203V95.5Very high94.3Very high0 Ų055.3 Ų55.30%029%0.288CS..EExtended strand (participates in β ladder)trans-130.5150.9168-60.30000109.2L1191 I1193 L1205 N1215 V1216 M1218 L1221L1191-V1203 HydrophobicContact CD1-CB 4.3Å; L1191-V1203 HydrophobicContact CD1-CG2 4.08Å; L1191-V1203 HydrophobicContact CD2-CB 3.75Å; L1191-V1203 HydrophobicContact CD2-CG1 3.85Å; L1191-V1203 HydrophobicContact CD2-CG2 4.42Å; L1191-V1203 HydrophobicContact CG-CB 3.97Å; L1191-V1203 HydrophobicContact CG-CG1 4.44Å; L1191-V1203 HydrophobicContact CG-CG2 4.14Å; I1193-V1203 HydrophobicContact CD1-CG1 4.11Å; I1193-V1203 HydrophobicContact CG1-CG1 4.04Å; V1203-L1205 HydrophobicContact CG2-CD2 3.97Å; V1203-N1215 CarbonylContact O-C 3.54Å; V1203-N1215 WeakPolarHBondContact O-CA 3.27Å; V1203-V1216 HydrophobicContact CG2-CB 4.26Å; V1203-V1216 PolarHBondContact N-O 3.43Å; V1203-V1216 PolarHBondContact O-N 2.98Å; V1203-M1218 HydrophobicContact CG1-CE 3.77Å; V1203-M1218 HydrophobicContact CG1-CG 3.75Å; V1203-L1221 HydrophobicContact CG1-CD2 4.47Å; V1203-L1221 HydrophobicContact CG2-CD1 3.67Å; V1203-L1221 HydrophobicContact CG2-CD2 3.99Å; V1203-L1221 HydrophobicContact CG2-CG 4.39Å
1204C97.4Very high94.4Very high8 Ų857.3 Ų57.35%0.05430%0.301CS..EExtended strand (participates in β ladder)trans-104.1114.7176.5-179.50000109.6L1191 E1192 N1215L1191-C1204 CarbonylContact C-O 3.49Å; L1191-C1204 WeakPolarHBondContact CA-O 3.35Å; E1192-C1204 HydrophobicContact CB-CB 4.25Å; E1192-C1204 PolarHBondContact N-O 3.39Å; E1192-C1204 PolarHBondContact O-N 3.32Å; E1192-C1204 VanDerWaalsContact O-N 3.1Å; C1204-N1215 WeakPolarHBondContact CB-OD1 2.78Å
1205L98.3Very high94.6Very high0 Ų062.2 Ų62.20%033%0.326CS..EExtended strand (participates in β ladder)trans-92.6122.6176.5-51.6-173.8000109.2I1189 L1191 V1203 L1207 R1213 V1214 V1216 L1221 L1225 I1228I1189-L1205 HydrophobicContact CG2-CB 4.02Å; I1189-L1205 HydrophobicContact CG2-CD2 3.92Å; I1189-L1205 HydrophobicContact CG2-CG 4.38Å; L1191-L1205 HydrophobicContact CB-CD2 3.96Å; L1191-L1205 HydrophobicContact CD1-CD2 3.75Å; L1191-L1205 HydrophobicContact CG-CD2 3.61Å; V1203-L1205 HydrophobicContact CG2-CD2 3.97Å; L1205-L1207 HydrophobicContact CB-CD2 4.33Å; L1205-R1213 CarbonylContact O-C 3.45Å; L1205-R1213 VanDerWaalsContact O-CA 3.29Å; L1205-R1213 WeakPolarHBondContact O-CA 3.37Å; L1205-V1214 HydrophobicContact CB-CB 4.4Å; L1205-V1214 PolarHBondContact N-O 3.46Å; L1205-V1214 PolarHBondContact O-N 3.11Å; L1205-V1216 HydrophobicContact CD1-CB 4.49Å; L1205-V1216 HydrophobicContact CD1-CG2 3.65Å; L1205-V1216 HydrophobicContact CG-CG2 4.06Å; L1205-L1221 HydrophobicContact CD2-CD1 4.34Å; L1205-L1225 HydrophobicContact CD1-CD2 4.07Å; L1205-I1228 HydrophobicContact CD1-CD1 3.75Å
1206V98.3Very high95Very high11 Ų1158.7 Ų58.77%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-103.7116.9171.2-169.30000109.2R1190 E1192 E1212 R1213R1190-V1206 HydrophobicContact CB-CB 4.41Å; R1190-V1206 PolarHBondContact N-O 2.71Å; R1190-V1206 PolarHBondContact O-N 3.11Å; E1192-V1206 HydrophobicContact CG-CG2 4.3Å; E1192-V1206 VanDerWaalsContact OE1-CG2 3.31Å; E1192-V1206 WeakPolarHBondContact OE1-CG2 3.46Å; V1206-E1212 WeakPolarHBondContact CA-O 3.36Å; V1206-R1213 HydrophobicContact CG1-CG 4.49Å; V1206-R1213 HydrophobicContact CG2-CG 4.11Å
1207L98.5Very high95.3Very high11 Ų1156.1 Ų56.16%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-87.9123-174.2-48.7-171.8000110.4I1189 L1205 H1209 G1211 E1212 V1214 I1228 I1232I1189-L1207 HydrophobicContact CD1-CD2 4.47Å; I1189-L1207 HydrophobicContact CG1-CD2 4.09Å; L1205-L1207 HydrophobicContact CB-CD2 4.33Å; L1207-H1209 PolarHBondContact O-N 3.28Å; L1207-G1211 VanDerWaalsContact O-CA 3.25Å; L1207-G1211 WeakPolarHBondContact O-CA 3.24Å; L1207-G1211 PolarHBondContact O-N 3.06Å; L1207-E1212 HydrophobicContact CD1-CB 4.46Å; L1207-E1212 PolarHBondContact N-O 3.41Å; L1207-V1214 HydrophobicContact CD1-CG2 4.2Å; L1207-V1214 HydrophobicContact CG-CG2 4.44Å; L1207-I1228 HydrophobicContact CD2-CG2 4.13Å; L1207-I1232 HydrophobicContact CD2-CD1 4.1Å
1208R98.2Very high95.4Very high19 Ų1955.2 Ų55.27%0.07229%0.293CS..THydrogen-bonded Turntrans-66.5-36.7-172.6176.459.5-171.490.8-0.2114.4D1111 G1114 L1115 V1116 E1183 V1187 P1188 T1210D1111-R1208 IonicContact OD1-CZ 2.87Å; D1111-R1208 IonicContact OD1-NH1 2.8Å; D1111-R1208 IonicContact OD1-NH2 3.84Å; D1111-R1208 PolarHBondContact OD1-NH2 3.36Å; D1111-R1208 IonicContact OD2-CZ 3.54Å; D1111-R1208 IonicContact OD2-NH1 3.68Å; D1111-R1208 PolarHBondContact OD2-NH1 2.83Å; D1111-R1208 IonicContact OD2-NH2 3.56Å; D1111-R1208 PolarHBondContact OD2-NH2 2.6Å; G1114-R1208 VanDerWaalsContact C-NH2 3.32Å; G1114-R1208 PolarHBondContact O-NH2 3.47Å; G1114-R1208 VanDerWaalsContact O-NH2 3.11Å; L1115-R1208 VanDerWaalsContact O-CZ 3.28Å; L1115-R1208 PolarHBondContact O-NE 2.99Å; L1115-R1208 PolarHBondContact O-NH2 3.29Å; V1116-R1208 HydrophobicContact CG2-CG 4.47Å; E1183-R1208 PolarHBondContact O-NE 3.16Å; V1187-R1208 WeakPolarHBondContact O-CB 3.4Å; P1188-R1208 PolarHBondContact O-N 3.1Å; R1208-T1210 VanDerWaalsContact C-N 3.32Å; R1208-T1210 PolarHBondContact O-N 3.28Å
1209H97.7Very high95.6Very high41 Ų4158.9 Ų58.919%0.1931%0.31CS..THydrogen-bonded Turntrans-71.1-22.2-175.276-57000114.3V1116 L1207 M1236V1116-H1209 HydrophobicContact CG1-CB 3.91Å; L1207-H1209 PolarHBondContact O-N 3.28Å; H1209-M1236 HydrophobicContact CB-CG 3.95Å; H1209-M1236 HydrophobicContact CB-SD 4.12Å
1210T96.6Very high95.8Very high84 Ų8456.8 Ų56.852%0.51529%0.291SS..THydrogen-bonded Turntrans-123.2-24.4-179.753.20000113.9R1208 E1212R1208-T1210 VanDerWaalsContact C-N 3.32Å; R1208-T1210 PolarHBondContact O-N 3.28Å; T1210-E1212 VanDerWaalsContact C-N 3.25Å; T1210-E1212 WeakPolarHBondContact OG1-CB 3.14Å; T1210-E1212 PolarHBondContact OG1-N 3.1Å
1211G94.1Very high95.8Very high39 Ų3953 Ų5340%0.40227%0.271SS..  trans78.75-168.500000114.2L1207L1207-G1211 VanDerWaalsContact O-CA 3.25Å; L1207-G1211 WeakPolarHBondContact O-CA 3.24Å; L1207-G1211 PolarHBondContact O-N 3.06Å
1212E97.3Very high95.9Very high112 Ų11247.7 Ų47.752%0.52325%0.253SS..  trans-65.6145.9179.8-174.2177.6-178.800111.8V1206 L1207 T1210 V1214V1206-E1212 WeakPolarHBondContact CA-O 3.36Å; L1207-E1212 HydrophobicContact CD1-CB 4.46Å; L1207-E1212 PolarHBondContact N-O 3.41Å; T1210-E1212 VanDerWaalsContact C-N 3.25Å; T1210-E1212 WeakPolarHBondContact OG1-CB 3.14Å; T1210-E1212 PolarHBondContact OG1-N 3.1Å; E1212-V1214 HydrophobicContact CG-CG2 4.18Å
1213R97.6Very high95.8Very high147 Ų14748.9 Ų48.956%0.55526%0.264SS*.EExtended strand (participates in β ladder)trans-110.1122.9175.4-61.3-175.9176.4-112.5-2.3109.9E1192 L1205 V1206E1192-R1213 IonicContact OE2-CZ 3.6Å; E1192-R1213 IonicContact OE2-NH1 2.83Å; E1192-R1213 PolarHBondContact OE2-NH1 3.16Å; L1205-R1213 CarbonylContact O-C 3.45Å; L1205-R1213 VanDerWaalsContact O-CA 3.29Å; L1205-R1213 WeakPolarHBondContact O-CA 3.37Å; V1206-R1213 HydrophobicContact CG1-CG 4.49Å; V1206-R1213 HydrophobicContact CG2-CG 4.11Å
1214V96.1Very high95.8Very high43 Ų4352 Ų5226%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-121.1119-178.7-174.30000109.2L1205 L1207 E1212 V1216L1205-V1214 HydrophobicContact CB-CB 4.4Å; L1205-V1214 PolarHBondContact N-O 3.46Å; L1205-V1214 PolarHBondContact O-N 3.11Å; L1207-V1214 HydrophobicContact CD1-CG2 4.2Å; L1207-V1214 HydrophobicContact CG-CG2 4.44Å; E1212-V1214 HydrophobicContact CG-CG2 4.18Å; V1214-V1216 HydrophobicContact CG1-CG2 3.99Å
1215N96.1Very high95.8Very high106 Ų10651.6 Ų51.657%0.56728%0.276SS*.EExtended strand (participates in β ladder)trans-87.3122.6175.5-68.9-42.6000110V1203 C1204V1203-N1215 CarbonylContact O-C 3.54Å; V1203-N1215 WeakPolarHBondContact O-CA 3.27Å; C1204-N1215 WeakPolarHBondContact CB-OD1 2.78Å
1216V96Very high95.7Very high7 Ų753.3 Ų53.34%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-121.4131.6-177.4-175.90000109.5K1202 V1203 L1205 V1214 M1218 L1221 E1224 I1228K1202-V1216 CarbonylContact C-O 3.52Å; K1202-V1216 WeakPolarHBondContact CA-O 3.33Å; V1203-V1216 HydrophobicContact CG2-CB 4.26Å; V1203-V1216 PolarHBondContact N-O 3.43Å; V1203-V1216 PolarHBondContact O-N 2.98Å; L1205-V1216 HydrophobicContact CD1-CB 4.49Å; L1205-V1216 HydrophobicContact CD1-CG2 3.65Å; L1205-V1216 HydrophobicContact CG-CG2 4.06Å; V1214-V1216 HydrophobicContact CG1-CG2 3.99Å; V1216-M1218 PolarHBondContact O-N 3.07Å; V1216-L1221 HydrophobicContact CB-CD1 4.26Å; V1216-L1221 HydrophobicContact CG1-CD1 4.03Å; V1216-E1224 HydrophobicContact CG1-CB 4.15Å; V1216-E1224 HydrophobicContact CG1-CG 4.21Å; V1216-I1228 HydrophobicContact CG2-CD1 4.22Å
1217P96.1Very high95.6Very high61 Ų6159 Ų5940%0.39631%0.307SS..EExtended strand (participates in β ladder)trans-57.3135.2170.6-22.933.5000111.5D1219 S1220 L1221P1217-D1219 PolarHBondContact O-N 3.11Å; P1217-S1220 PolarHBondContact O-N 3.1Å; P1217-S1220 VanDerWaalsContact O-N 3.14Å; P1217-S1220 PolarHBondContact O-OG 2.95Å; P1217-L1221 PolarHBondContact O-N 3.41Å; P1217-L1221 VanDerWaalsContact O-N 3.15Å
1218M92.2Very high95.6Very high31 Ų3159 Ų5915%0.15331%0.307CS..G310 helixtrans-56.2-38178.8-77.5-179.8175.700111.6V1152 I1193 R1201 K1202 V1203 V1216 S1220 L1221V1152-M1218 HydrophobicContact CG2-CE 4.16Å; V1152-M1218 HydrophobicContact CG2-SD 4.45Å; I1193-M1218 HydrophobicContact CD1-CE 4.44Å; I1193-M1218 HydrophobicContact CG2-CE 4.27Å; R1201-M1218 PolarHBondContact O-N 3.26Å; K1202-M1218 WeakPolarHBondContact O-CE 2.93Å; V1203-M1218 HydrophobicContact CG1-CE 3.77Å; V1203-M1218 HydrophobicContact CG1-CG 3.75Å; V1216-M1218 PolarHBondContact O-N 3.07Å; M1218-S1220 VanDerWaalsContact C-N 3.29Å; M1218-S1220 PolarHBondContact O-N 3.09Å; M1218-L1221 VanDerWaalsContact O-CB 3.3Å; M1218-L1221 WeakPolarHBondContact O-CB 3.12Å; M1218-L1221 PolarHBondContact O-N 3.01Å
1219D91.5Very high95.6Very high119 Ų11958.6 Ų58.664%0.63631%0.307SS*.G310 helixtrans-69.2-25-176.8-56.7-33.6000113R1201 P1217R1201-D1219 IonicContact CZ-OD1 3.72Å; R1201-D1219 IonicContact NE-OD1 3.66Å; R1201-D1219 IonicContact NE-OD2 3.54Å; R1201-D1219 IonicContact NH2-OD1 2.77Å; R1201-D1219 PolarHBondContact NH2-OD1 3.1Å; R1201-D1219 IonicContact NH2-OD2 3.25Å; P1217-D1219 PolarHBondContact O-N 3.11Å
1220S93.7Very high95.6Very high35 Ų3560 Ų6025%0.24532%0.316CS..G310 helixtrans-100.7-3.4176.967.90000113.5P1217 M1218 I1222 N1223 E1224P1217-S1220 PolarHBondContact O-N 3.1Å; P1217-S1220 VanDerWaalsContact O-N 3.14Å; P1217-S1220 PolarHBondContact O-OG 2.95Å; M1218-S1220 VanDerWaalsContact C-N 3.29Å; M1218-S1220 PolarHBondContact O-N 3.09Å; S1220-I1222 PolarHBondContact O-N 2.94Å; S1220-N1223 PolarHBondContact O-N 3.38Å; S1220-N1223 VanDerWaalsContact O-N 3.08Å; S1220-E1224 PolarHBondContact O-N 2.94Å
1221L94Very high95.7Very high1 Ų159.7 Ų59.71%0.00531%0.31CS..Hα-helixtrans-58-47.5-168.8-178.563.5000113.5V1152 L1156 L1191 V1203 L1205 V1216 P1217 M1218 N1223 E1224 L1225V1152-L1221 HydrophobicContact CG1-CD2 3.87Å; L1156-L1221 HydrophobicContact CD1-CD2 4.47Å; L1156-L1221 HydrophobicContact CD2-CD2 4.27Å; L1156-L1221 HydrophobicContact CD2-CG 4.35Å; L1191-L1221 HydrophobicContact CD1-CD1 4.47Å; L1191-L1221 HydrophobicContact CD1-CD2 3.93Å; V1203-L1221 HydrophobicContact CG1-CD2 4.47Å; V1203-L1221 HydrophobicContact CG2-CD1 3.67Å; V1203-L1221 HydrophobicContact CG2-CD2 3.99Å; V1203-L1221 HydrophobicContact CG2-CG 4.39Å; L1205-L1221 HydrophobicContact CD2-CD1 4.34Å; V1216-L1221 HydrophobicContact CB-CD1 4.26Å; V1216-L1221 HydrophobicContact CG1-CD1 4.03Å; P1217-L1221 PolarHBondContact O-N 3.41Å; P1217-L1221 VanDerWaalsContact O-N 3.15Å; M1218-L1221 VanDerWaalsContact O-CB 3.3Å; M1218-L1221 WeakPolarHBondContact O-CB 3.12Å; M1218-L1221 PolarHBondContact O-N 3.01Å; L1221-N1223 PolarHBondContact O-N 3.28Å; L1221-E1224 PolarHBondContact O-N 2.78Å; L1221-L1225 HydrophobicContact CD1-CD1 3.87Å; L1221-L1225 HydrophobicContact CD1-CD2 4.22Å; L1221-L1225 HydrophobicContact CD1-CG 3.82Å; L1221-L1225 HydrophobicContact CG-CD1 3.79Å; L1221-L1225 HydrophobicContact CG-CG 4.22Å; L1221-L1225 WeakPolarHBondContact O-CB 3.23Å; L1221-L1225 VanDerWaalsContact O-CG 3.28Å; L1221-L1225 WeakPolarHBondContact O-CG 3.48Å; L1221-L1225 PolarHBondContact O-N 3.31Å
1222I93.7Very high95.9Very high37 Ų3758 Ų5819%0.1929%0.292CS..Hα-helixtrans-58.4-34.8179.1-71.5164000111.7L1155 L1156 S1159 K1161 F1163 S1220 P1226L1155-I1222 HydrophobicContact CD1-CD1 3.4Å; L1155-I1222 HydrophobicContact CD1-CG1 4.49Å; L1155-I1222 HydrophobicContact CD2-CD1 4.11Å; L1155-I1222 HydrophobicContact CD2-CG1 4.44Å; L1155-I1222 HydrophobicContact CG-CD1 3.48Å; L1155-I1222 VanDerWaalsContact CG-CD1 3.48Å; L1155-I1222 HydrophobicContact CG-CG1 4.07Å; L1156-I1222 HydrophobicContact CD2-CG1 4.06Å; S1159-I1222 WeakPolarHBondContact OG-CG2 2.93Å; K1161-I1222 HydrophobicContact CG-CG2 4.3Å; F1163-I1222 HydrophobicContact CE2-CG2 4.5Å; S1220-I1222 PolarHBondContact O-N 2.94Å; I1222-P1226 WeakPolarHBondContact O-CD 3.23Å
1223N93.4Very high96Very high115 Ų11552.8 Ų52.862%0.61527%0.268SS*.Hα-helixtrans-83.7-32.7-175.7-65.6-33.3000112.1S1220 L1221S1220-N1223 PolarHBondContact O-N 3.38Å; S1220-N1223 VanDerWaalsContact O-N 3.08Å; L1221-N1223 PolarHBondContact O-N 3.28Å
1224E94.9Very high96.1Very high65 Ų6549.4 Ų49.430%0.30426%0.261SS..Hα-helixtrans-78.8-35.2178.7-71.5-60.6138.200113V1216 S1220 L1221 R1227 I1228V1216-E1224 HydrophobicContact CG1-CB 4.15Å; V1216-E1224 HydrophobicContact CG1-CG 4.21Å; S1220-E1224 PolarHBondContact O-N 2.94Å; L1221-E1224 PolarHBondContact O-N 2.78Å; E1224-R1227 WeakPolarHBondContact O-CB 3.2Å; E1224-R1227 PolarHBondContact O-N 3.35Å; E1224-R1227 IonicContact OE2-CZ 3.86Å; E1224-R1227 IonicContact OE2-NE 2.64Å; E1224-R1227 PolarHBondContact OE2-NE 3.43Å; E1224-R1227 IonicContact OE2-NH2 3.71Å; E1224-R1227 PolarHBondContact OE2-NH2 3.29Å; E1224-I1228 HydrophobicContact CB-CD1 4.14Å; E1224-I1228 WeakPolarHBondContact O-CG1 3.28Å; E1224-I1228 PolarHBondContact O-N 3.41Å
1225L97.1Very high96.2Very high0 Ų049.3 Ų49.30%027%0.265CS..Hα-helixtrans-56.2-43.6-174.3-81.6169000114.9I1126 L1156 F1163 I1189 L1205 L1221 R1227 I1228 L1229I1126-L1225 HydrophobicContact CD1-CD1 3.66Å; I1126-L1225 HydrophobicContact CD1-CD2 3.81Å; I1126-L1225 HydrophobicContact CD1-CG 4.28Å; I1126-L1225 HydrophobicContact CG1-CD2 4.45Å; L1156-L1225 HydrophobicContact CD1-CD1 4.02Å; L1156-L1225 HydrophobicContact CD2-CD1 3.38Å; L1156-L1225 HydrophobicContact CG-CD1 4.36Å; F1163-L1225 HydrophobicContact CE1-CB 3.69Å; F1163-L1225 HydrophobicContact CE1-CD1 4.45Å; F1163-L1225 HydrophobicContact CE2-CD1 4.39Å; F1163-L1225 HydrophobicContact CZ-CB 3.65Å; F1163-L1225 HydrophobicContact CZ-CD1 4.23Å; I1189-L1225 HydrophobicContact CD1-CD2 3.89Å; L1205-L1225 HydrophobicContact CD1-CD2 4.07Å; L1221-L1225 HydrophobicContact CD1-CD1 3.87Å; L1221-L1225 HydrophobicContact CD1-CD2 4.22Å; L1221-L1225 HydrophobicContact CD1-CG 3.82Å; L1221-L1225 HydrophobicContact CG-CD1 3.79Å; L1221-L1225 HydrophobicContact CG-CG 4.22Å; L1221-L1225 WeakPolarHBondContact O-CB 3.23Å; L1221-L1225 VanDerWaalsContact O-CG 3.28Å; L1221-L1225 WeakPolarHBondContact O-CG 3.48Å; L1221-L1225 PolarHBondContact O-N 3.31Å; L1225-R1227 VanDerWaalsContact C-N 3.33Å; L1225-R1227 PolarHBondContact O-N 2.95Å; L1225-I1228 PolarHBondContact O-N 3.19Å; L1225-L1229 WeakPolarHBondContact O-CB 3.17Å; L1225-L1229 VanDerWaalsContact O-CG 3.24Å; L1225-L1229 WeakPolarHBondContact O-CG 3.4Å; L1225-L1229 PolarHBondContact O-N 2.65Å
1226P96.2Very high96.3Very high36 Ų3644.7 Ų44.723%0.23424%0.24CC..Hα-helixtrans-59.6-44.3178.1-24.535.9000111.9K1161 F1163 I1222 L1229 D1230K1161-P1226 HydrophobicContact CD-CG 4.37Å; K1161-P1226 HydrophobicContact CG-CG 4.35Å; F1163-P1226 HydrophobicContact CE1-CG 4.13Å; F1163-P1226 HydrophobicContact CZ-CG 3.83Å; I1222-P1226 WeakPolarHBondContact O-CD 3.23Å; P1226-L1229 PolarHBondContact O-N 3.11Å; P1226-D1230 PolarHBondContact O-N 3.44Å
1227R96.8Very high96.4Very high129 Ų12946.7 Ų46.749%0.48725%0.248SC..Hα-helixtrans-61.6-46.4176.6-173.3-172.264.977.4-4.8111E1224 L1225 L1229 D1230 D1231E1224-R1227 WeakPolarHBondContact O-CB 3.2Å; E1224-R1227 PolarHBondContact O-N 3.35Å; E1224-R1227 IonicContact OE2-CZ 3.86Å; E1224-R1227 IonicContact OE2-NE 2.64Å; E1224-R1227 PolarHBondContact OE2-NE 3.43Å; E1224-R1227 IonicContact OE2-NH2 3.71Å; E1224-R1227 PolarHBondContact OE2-NH2 3.29Å; L1225-R1227 VanDerWaalsContact C-N 3.33Å; L1225-R1227 PolarHBondContact O-N 2.95Å; R1227-L1229 PolarHBondContact O-N 3.05Å; R1227-D1230 PolarHBondContact O-N 3.19Å; R1227-D1231 IonicContact CZ-OD2 2.68Å; R1227-D1231 IonicContact NH1-OD2 3.59Å; R1227-D1231 PolarHBondContact NH1-OD2 3.46Å; R1227-D1231 WeakPolarHBondContact O-CB 3.21Å; R1227-D1231 PolarHBondContact O-N 3.02Å
1228I97.9Very high96.6Very high12 Ų1248 Ų486%0.06225%0.251CS..Hα-helixtrans-62.3-42.1178.7-65.7170.9000111.1I1189 L1205 L1207 V1216 E1224 L1225 D1231 I1232I1189-I1228 HydrophobicContact CD1-CG2 3.9Å; L1205-I1228 HydrophobicContact CD1-CD1 3.75Å; L1207-I1228 HydrophobicContact CD2-CG2 4.13Å; V1216-I1228 HydrophobicContact CG2-CD1 4.22Å; E1224-I1228 HydrophobicContact CB-CD1 4.14Å; E1224-I1228 WeakPolarHBondContact O-CG1 3.28Å; E1224-I1228 PolarHBondContact O-N 3.41Å; L1225-I1228 PolarHBondContact O-N 3.19Å; I1228-D1231 PolarHBondContact O-N 2.95Å; I1228-I1232 HydrophobicContact CG2-CD1 4.1Å; I1228-I1232 WeakPolarHBondContact O-CG1 3.43Å; I1228-I1232 PolarHBondContact O-N 2.94Å
1229L98.5Very high96.8Very high11 Ų1153.9 Ų53.96%0.05828%0.276CS..Hα-helixtrans-65.5-41.1177.6-67.5167.4000111.5P1119 Q1125 F1163 I1189 L1225 P1226 R1227 I1232 H1233P1119-L1229 HydrophobicContact CB-CB 4.03Å; P1119-L1229 HydrophobicContact CB-CD2 3.82Å; P1119-L1229 HydrophobicContact CB-CG 4.45Å; P1119-L1229 HydrophobicContact CG-CB 4.26Å; P1119-L1229 HydrophobicContact CG-CD2 3.95Å; P1119-L1229 WeakPolarHBondContact CG-O 3.4Å; Q1125-L1229 HydrophobicContact CB-CD2 4.23Å; F1163-L1229 HydrophobicContact CD1-CD1 4Å; F1163-L1229 HydrophobicContact CE1-CD1 3.94Å; I1189-L1229 HydrophobicContact CD1-CD2 3.56Å; I1189-L1229 HydrophobicContact CD1-CG 4.15Å; I1189-L1229 HydrophobicContact CG1-CD2 4.1Å; L1225-L1229 WeakPolarHBondContact O-CB 3.17Å; L1225-L1229 VanDerWaalsContact O-CG 3.24Å; L1225-L1229 WeakPolarHBondContact O-CG 3.4Å; L1225-L1229 PolarHBondContact O-N 2.65Å; P1226-L1229 PolarHBondContact O-N 3.11Å; R1227-L1229 PolarHBondContact O-N 3.05Å; L1229-I1232 HydrophobicContact CD2-CD1 4.5Å; L1229-I1232 PolarHBondContact O-N 2.83Å; L1229-H1233 PolarHBondContact O-N 3.21Å
1230D98.3Very high97.2Very high71 Ų7148.8 Ų48.838%0.3825%0.251SS..Hα-helixtrans-66-39.6173.9-81.8-34.8000112R1120 P1226 R1227 I1232 H1233 N1234R1120-D1230 IonicContact CZ-OD1 3.4Å; R1120-D1230 IonicContact NE-OD1 3.18Å; R1120-D1230 IonicContact NH2-OD1 3.98Å; R1120-D1230 PolarHBondContact NH2-OD1 3.42Å; P1226-D1230 PolarHBondContact O-N 3.44Å; R1227-D1230 PolarHBondContact O-N 3.19Å; D1230-I1232 PolarHBondContact O-N 3.17Å; D1230-H1233 PolarHBondContact O-N 2.74Å; D1230-N1234 WeakPolarHBondContact O-CB 3.42Å; D1230-N1234 PolarHBondContact O-N 2.77Å; D1230-N1234 PolarHBondContact O-ND2 2.86Å; D1230-N1234 VanDerWaalsContact O-ND2 3.14Å
1231D98.6Very high97.4Very high76 Ų7648.4 Ų48.441%0.40625%0.247SC..Hα-helixtrans-61.4-42.6175.5-71.1-22.7000111.4R1227 I1228 N1234 A1235R1227-D1231 IonicContact CZ-OD2 2.68Å; R1227-D1231 IonicContact NH1-OD2 3.59Å; R1227-D1231 PolarHBondContact NH1-OD2 3.46Å; R1227-D1231 WeakPolarHBondContact O-CB 3.21Å; R1227-D1231 PolarHBondContact O-N 3.02Å; I1228-D1231 PolarHBondContact O-N 2.95Å; D1231-N1234 PolarHBondContact O-N 3.3Å; D1231-A1235 WeakPolarHBondContact O-CB 3.32Å; D1231-A1235 PolarHBondContact O-N 2.9Å
1232I98.7Very high97.6Very high3 Ų355.8 Ų55.82%0.01528%0.279CS..Hα-helixtrans-58.9-49.8173.2-67.2164000110.2P1119 I1189 L1207 I1228 L1229 D1230 N1234 A1235 M1236P1119-I1232 HydrophobicContact CG-CB 4.05Å; P1119-I1232 HydrophobicContact CG-CG2 3.84Å; I1189-I1232 HydrophobicContact CD1-CD1 3.96Å; I1189-I1232 HydrophobicContact CG1-CD1 3.73Å; L1207-I1232 HydrophobicContact CD2-CD1 4.1Å; I1228-I1232 HydrophobicContact CG2-CD1 4.1Å; I1228-I1232 WeakPolarHBondContact O-CG1 3.43Å; I1228-I1232 PolarHBondContact O-N 2.94Å; L1229-I1232 HydrophobicContact CD2-CD1 4.5Å; L1229-I1232 PolarHBondContact O-N 2.83Å; D1230-I1232 PolarHBondContact O-N 3.17Å; I1232-N1234 PolarHBondContact O-N 3.13Å; I1232-A1235 PolarHBondContact O-N 3.17Å; I1232-M1236 HydrophobicContact CG2-CG 4.49Å; I1232-M1236 HydrophobicContact CG2-SD 3.92Å; I1232-M1236 WeakPolarHBondContact O-CB 3.21Å; I1232-M1236 VanDerWaalsContact O-CG 3.27Å; I1232-M1236 WeakPolarHBondContact O-CG 3.39Å; I1232-M1236 PolarHBondContact O-N 2.96Å
1233H98.8Very high97.7Very high4 Ų454.7 Ų54.72%0.01928%0.275CS..Hα-helixtrans-60.5-47.1-178.7-168.197.3000111.5E1021 Y1022 L1229 D1230 M1236 F1237E1021-H1233 PolarHBondContact O-NE2 3.49Å; Y1022-H1233 PolarHBondContact O-CE1 3.16Å; Y1022-H1233 PolarHBondContact O-NE2 3.38Å; L1229-H1233 PolarHBondContact O-N 3.21Å; D1230-H1233 PolarHBondContact O-N 2.74Å; H1233-M1236 PolarHBondContact O-N 3.2Å; H1233-F1237 WeakPolarHBondContact O-CB 3.34Å; H1233-F1237 PolarHBondContact O-N 3.24Å
1234N98.8Very high97.9Very high75 Ų7549.4 Ų49.440%0.40125%0.247SC..Hα-helixtrans-65.8-40.1179.4-68.7-28.2000111.9D1230 D1231 I1232 F1237 N1238D1230-N1234 WeakPolarHBondContact O-CB 3.42Å; D1230-N1234 PolarHBondContact O-N 2.77Å; D1230-N1234 PolarHBondContact O-ND2 2.86Å; D1230-N1234 VanDerWaalsContact O-ND2 3.14Å; D1231-N1234 PolarHBondContact O-N 3.3Å; I1232-N1234 PolarHBondContact O-N 3.13Å; N1234-F1237 PolarHBondContact O-N 2.83Å; N1234-N1238 VanDerWaalsContact O-CB 3.26Å; N1234-N1238 WeakPolarHBondContact O-CB 3.35Å; N1234-N1238 PolarHBondContact O-N 3.15Å; N1234-N1238 PolarHBondContact O-ND2 2.93Å
1235A98.7Very high97.9Very high42 Ų4247.3 Ų47.335%0.34724%0.24SC..Hα-helixtrans-63.6-43.2175.900000111.7D1231 I1232 K1239D1231-A1235 WeakPolarHBondContact O-CB 3.32Å; D1231-A1235 PolarHBondContact O-N 2.9Å; I1232-A1235 PolarHBondContact O-N 3.17Å; A1235-K1239 WeakPolarHBondContact O-CB 3.35Å; A1235-K1239 PolarHBondContact O-N 3.27Å
1236M98.7Very high97.9Very high8 Ų850.8 Ų50.84%0.03926%0.264CS..Hα-helixtrans-62.2-47.6175.3-71.4177.764.200111.7A1025 H1109 V1116 P1118 H1209 I1232 H1233 K1239 A1240A1025-M1236 HydrophobicContact CB-CB 4.13Å; H1109-M1236 HydrophobicContact CB-CE 3.79Å; H1109-M1236 VanDerWaalsContact CG-CE 3.44Å; V1116-M1236 HydrophobicContact CG1-CE 3.79Å; V1116-M1236 HydrophobicContact CG1-SD 4.23Å; P1118-M1236 HydrophobicContact CB-CE 4.38Å; P1118-M1236 HydrophobicContact CG-CE 3.84Å; H1209-M1236 HydrophobicContact CB-CG 3.95Å; H1209-M1236 HydrophobicContact CB-SD 4.12Å; I1232-M1236 HydrophobicContact CG2-CG 4.49Å; I1232-M1236 HydrophobicContact CG2-SD 3.92Å; I1232-M1236 WeakPolarHBondContact O-CB 3.21Å; I1232-M1236 VanDerWaalsContact O-CG 3.27Å; I1232-M1236 WeakPolarHBondContact O-CG 3.39Å; I1232-M1236 PolarHBondContact O-N 2.96Å; H1233-M1236 PolarHBondContact O-N 3.2Å; M1236-K1239 PolarHBondContact O-N 3.16Å; M1236-A1240 PolarHBondContact O-N 3.26Å
1237F98.7Very high97.9Very high50 Ų5051 Ų5122%0.21926%0.262CS..Hα-helixtrans-59-51.8176.8-177.6-103.5000111.3E1021 A1025 P1027 H1233 N1234 K1239 A1240 T1241E1021-F1237 HydrophobicContact CB-CE2 3.75Å; E1021-F1237 HydrophobicContact CB-CZ 4.3Å; E1021-F1237 HydrophobicContact CG-CE2 3.86Å; E1021-F1237 HydrophobicContact CG-CZ 4.33Å; A1025-F1237 HydrophobicContact CB-CB 4.08Å; A1025-F1237 WeakPolarHBondContact O-CA 3.35Å; P1027-F1237 HydrophobicContact CB-CE2 4.12Å; P1027-F1237 HydrophobicContact CB-CZ 4.43Å; H1233-F1237 WeakPolarHBondContact O-CB 3.34Å; H1233-F1237 PolarHBondContact O-N 3.24Å; N1234-F1237 PolarHBondContact O-N 2.83Å; F1237-K1239 VanDerWaalsContact C-N 3.29Å; F1237-K1239 PolarHBondContact O-N 3.21Å; F1237-A1240 PolarHBondContact O-N 3.43Å; F1237-A1240 VanDerWaalsContact O-N 3.12Å; F1237-T1241 PolarHBondContact O-N 2.88Å; F1237-T1241 PolarHBondContact O-OG1 3.32Å
1238N98.5Very high97.9Very high87 Ų8745.2 Ų45.247%0.46524%0.241SC..Hα-helixtrans-61.2-36.2-179.7-73.3-31000112.9N1234 K1242N1234-N1238 VanDerWaalsContact O-CB 3.26Å; N1234-N1238 WeakPolarHBondContact O-CB 3.35Å; N1234-N1238 PolarHBondContact O-N 3.15Å; N1234-N1238 PolarHBondContact O-ND2 2.93Å; N1238-K1242 WeakPolarHBondContact O-CB 3.3Å; N1238-K1242 VanDerWaalsContact O-CG 3.29Å; N1238-K1242 WeakPolarHBondContact O-CG 3.48Å; N1238-K1242 PolarHBondContact O-N 3.47Å
1239K98.2Very high97.7Very high156 Ų15647.4 Ų47.468%0.67825%0.252SS*.Hα-helixtrans-63.4-48.4174.4-178.9-175.5176.4-173.60110.9A1235 M1236 F1237 K1242 S1243A1235-K1239 WeakPolarHBondContact O-CB 3.35Å; A1235-K1239 PolarHBondContact O-N 3.27Å; M1236-K1239 PolarHBondContact O-N 3.16Å; F1237-K1239 VanDerWaalsContact C-N 3.29Å; F1237-K1239 PolarHBondContact O-N 3.21Å; K1239-K1242 PolarHBondContact O-N 3.18Å; K1239-S1243 PolarHBondContact O-N 3.36Å; K1239-S1243 VanDerWaalsContact O-N 3.09Å
1240A98.3Very high97.6Very high12 Ų1250.4 Ų50.410%0.09927%0.268CS..Hα-helixtrans-64.9-39.6178.400000111.9P1027 V1108 M1236 F1237 K1242 S1243 L1244P1027-A1240 VanDerWaalsContact CD-CB 3.42Å; P1027-A1240 HydrophobicContact CG-CB 3.95Å; V1108-A1240 HydrophobicContact CG1-CB 3.85Å; M1236-A1240 PolarHBondContact O-N 3.26Å; F1237-A1240 PolarHBondContact O-N 3.43Å; F1237-A1240 VanDerWaalsContact O-N 3.12Å; A1240-K1242 PolarHBondContact O-N 2.88Å; A1240-S1243 WeakPolarHBondContact O-CB 3.38Å; A1240-S1243 PolarHBondContact O-N 3.01Å; A1240-L1244 PolarHBondContact O-N 3.14Å
1241T98.2Very high97.5Very high27 Ų2747.2 Ų47.217%0.16625%0.25CS..Hα-helixtrans-63.3-41.8176.7-56.70000111.8F1237 S1243 L1244 A1245 F1311F1237-T1241 PolarHBondContact O-N 2.88Å; F1237-T1241 PolarHBondContact O-OG1 3.32Å; T1241-S1243 VanDerWaalsContact C-N 3.33Å; T1241-S1243 PolarHBondContact O-N 2.75Å; T1241-L1244 PolarHBondContact O-N 2.85Å; T1241-A1245 WeakPolarHBondContact O-CB 3.41Å; T1241-A1245 PolarHBondContact O-N 2.92Å; T1241-F1311 HydrophobicContact CG2-CB 3.89Å
1242K97.6Very high97.3Very high155 Ų15546.4 Ų46.467%0.67425%0.246SC*.Hα-helixtrans-62-40.9173.8-75.5174-177.5179.60112N1238 K1239 A1240 A1245 S1246N1238-K1242 WeakPolarHBondContact O-CB 3.3Å; N1238-K1242 VanDerWaalsContact O-CG 3.29Å; N1238-K1242 WeakPolarHBondContact O-CG 3.48Å; N1238-K1242 PolarHBondContact O-N 3.47Å; K1239-K1242 PolarHBondContact O-N 3.18Å; A1240-K1242 PolarHBondContact O-N 2.88Å; K1242-A1245 PolarHBondContact O-N 3.38Å; K1242-S1246 PolarHBondContact O-N 3.26Å; K1242-S1246 PolarHBondContact O-OG 3.44Å
1243S96.3Very high97.2Very high15 Ų1548.9 Ų48.911%0.10526%0.26CS..Hα-helixtrans-63.9-45.3176.5179.10000111.7D1053 K1239 A1240 T1241 A1245 S1246 H1247D1053-S1243 WeakPolarHBondContact CB-OG 3Å; D1053-S1243 PolarHBondContact OD1-OG 3.33Å; D1053-S1243 PolarHBondContact OD2-OG 2.68Å; K1239-S1243 PolarHBondContact O-N 3.36Å; K1239-S1243 VanDerWaalsContact O-N 3.09Å; A1240-S1243 WeakPolarHBondContact O-CB 3.38Å; A1240-S1243 PolarHBondContact O-N 3.01Å; T1241-S1243 VanDerWaalsContact C-N 3.33Å; T1241-S1243 PolarHBondContact O-N 2.75Å; S1243-A1245 PolarHBondContact O-N 3.1Å; S1243-S1246 PolarHBondContact O-N 3.21Å; S1243-S1246 PolarHBondContact O-OG 2.99Å; S1243-H1247 WeakPolarHBondContact O-CB 3Å; S1243-H1247 PolarHBondContact O-N 3.39Å; S1243-H1247 PolarHBondContact O-ND1 3.17Å
1244L97.4Very high96.9Very high4 Ų449.2 Ų49.22%0.02126%0.261CS..Hα-helixtrans-57.9-48.2172.3172.964.6000111.2P1027 V1029 Y1051 A1240 T1241 S1246 H1247 V1248 F1311P1027-L1244 HydrophobicContact CB-CD2 4.15Å; P1027-L1244 HydrophobicContact CG-CB 4.45Å; P1027-L1244 HydrophobicContact CG-CD2 4.3Å; V1029-L1244 HydrophobicContact CG2-CD1 4.26Å; V1029-L1244 HydrophobicContact CG2-CD2 4.04Å; Y1051-L1244 HydrophobicContact CG-CD1 4.31Å; A1240-L1244 PolarHBondContact O-N 3.14Å; T1241-L1244 PolarHBondContact O-N 2.85Å; L1244-S1246 VanDerWaalsContact C-N 3.33Å; L1244-S1246 PolarHBondContact O-N 2.83Å; L1244-H1247 CarbonylContact O-C 3.56Å; L1244-H1247 PolarHBondContact O-N 2.79Å; L1244-H1247 VanDerWaalsContact O-N 3.13Å; L1244-V1248 HydrophobicContact CD1-CG2 3.7Å; L1244-V1248 HydrophobicContact CG-CG2 4.42Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.5Å; L1244-V1248 PolarHBondContact O-N 3.39Å; L1244-F1311 HydrophobicContact CD2-CB 4.13Å; L1244-F1311 HydrophobicContact CD2-CD1 3.78Å; L1244-F1311 HydrophobicContact CD2-CD2 4.08Å; L1244-F1311 HydrophobicContact CD2-CE1 4.22Å; L1244-F1311 HydrophobicContact CD2-CE2 4.47Å; L1244-F1311 HydrophobicContact CD2-CG 3.71Å; L1244-F1311 HydrophobicContact CG-CD1 4.4Å; L1244-F1311 HydrophobicContact CG-CD2 3.86Å; L1244-F1311 HydrophobicContact CG-CE2 4.07Å; L1244-F1311 HydrophobicContact CG-CG 4.03Å; L1244-F1311 HydrophobicContact CG-CZ 4.44Å
1245A96.3Very high96.5Very high20 Ų2051.1 Ų51.117%0.16527%0.271CS..Hα-helixtrans-62.3-36-177.100000113.9T1241 K1242 S1243 H1247 F1311 N1312T1241-A1245 WeakPolarHBondContact O-CB 3.41Å; T1241-A1245 PolarHBondContact O-N 2.92Å; K1242-A1245 PolarHBondContact O-N 3.38Å; S1243-A1245 PolarHBondContact O-N 3.1Å; A1245-H1247 VanDerWaalsContact C-N 3.32Å; A1245-F1311 HydrophobicContact CB-CD2 4.07Å; A1245-F1311 VanDerWaalsContact CB-O 3.23Å; A1245-F1311 WeakPolarHBondContact CB-O 3.42Å; A1245-N1312 HydrophobicContact CB-CB 4.19Å; A1245-N1312 PolarHBondContact O-ND2 2.92Å
1246S95.6Very high96.4Very high73 Ų7352.8 Ų52.851%0.5127%0.272SS..Hα-helixtrans-77-17.6177.360.80000113.8K1242 S1243 L1244K1242-S1246 PolarHBondContact O-N 3.26Å; K1242-S1246 PolarHBondContact O-OG 3.44Å; S1243-S1246 PolarHBondContact O-N 3.21Å; S1243-S1246 PolarHBondContact O-OG 2.99Å; L1244-S1246 VanDerWaalsContact C-N 3.33Å; L1244-S1246 PolarHBondContact O-N 2.83Å
1247H96.6Very high96.2Very high41 Ų4152.4 Ų52.419%0.1927%0.27CS..THydrogen-bonded Turntrans-114.616.2-174.9-64.6104.7000113.6Y1051 D1053 S1243 L1244 A1245 S1265 L1266Y1051-H1247 HydrophobicContact CD1-CB 4.16Å; Y1051-H1247 HydrophobicContact CD2-CB 4.45Å; Y1051-H1247 HydrophobicContact CE1-CB 3.47Å; Y1051-H1247 VanDerWaalsContact CE1-CB 3.47Å; Y1051-H1247 AromaticContact CE1-CG 3.57Å; Y1051-H1247 AromaticContact CE1-ND1 3.5Å; Y1051-H1247 WeakPolarHBondContact CE1-ND1 3.46Å; Y1051-H1247 HydrophobicContact CE2-CB 3.79Å; Y1051-H1247 AromaticContact CZ-CD2 3.96Å; Y1051-H1247 AromaticContact CZ-CG 3.44Å; Y1051-H1247 VanDerWaalsContact CZ-CG 3.44Å; Y1051-H1247 AromaticContact CZ-ND1 3.82Å; Y1051-H1247 WeakPolarHBondContact OH-CB 3.44Å; Y1051-H1247 PolarHBondContact OH-CD2 2.9Å; D1053-H1247 IonicContact OD1-CE1 3.81Å; D1053-H1247 PolarHBondContact OD1-CE1 2.99Å; D1053-H1247 IonicContact OD1-ND1 3.98Å; D1053-H1247 IonicContact OD1-NE2 3.94Å; S1243-H1247 WeakPolarHBondContact O-CB 3Å; S1243-H1247 PolarHBondContact O-N 3.39Å; S1243-H1247 PolarHBondContact O-ND1 3.17Å; L1244-H1247 CarbonylContact O-C 3.56Å; L1244-H1247 PolarHBondContact O-N 2.79Å; L1244-H1247 VanDerWaalsContact O-N 3.13Å; A1245-H1247 VanDerWaalsContact C-N 3.32Å; H1247-S1265 CarbonylContact O-C 3.59Å; H1247-S1265 WeakPolarHBondContact O-CA 3.28Å; H1247-S1265 WeakPolarHBondContact O-CB 3.49Å; H1247-L1266 PolarHBondContact O-N 3.11Å
1248V97.3Very high95.8Very high7 Ų751 Ų514%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-111.8110.9165.3178.70000108.2L1244 L1266 L1268 F1311 L1315 L1341L1244-V1248 HydrophobicContact CD1-CG2 3.7Å; L1244-V1248 HydrophobicContact CG-CG2 4.42Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.5Å; L1244-V1248 PolarHBondContact O-N 3.39Å; V1248-L1266 WeakPolarHBondContact CA-O 3.46Å; V1248-L1266 HydrophobicContact CG2-CB 4.23Å; V1248-L1266 HydrophobicContact CG2-CD1 4.39Å; V1248-L1268 HydrophobicContact CG1-CB 4.27Å; V1248-F1311 HydrophobicContact CB-CE2 3.9Å; V1248-F1311 HydrophobicContact CB-CZ 4.24Å; V1248-F1311 HydrophobicContact CG1-CE2 4.33Å; V1248-F1311 HydrophobicContact CG1-CZ 4.27Å; V1248-F1311 HydrophobicContact CG2-CE2 3.79Å; V1248-F1311 HydrophobicContact CG2-CZ 3.94Å; V1248-L1315 HydrophobicContact CB-CD1 4.01Å; V1248-L1315 HydrophobicContact CG1-CD1 3.52Å; V1248-L1341 HydrophobicContact CG1-CD1 3.73Å
1249M94.8Very high95.5Very high58 Ų5850.1 Ų50.129%0.28626%0.264SS..EExtended strand (participates in β ladder)trans-105.1138.4-176.8-63.2178.3-179.600110.9A1260 Q1263 S1265 L1266 A1267 L1268M1249-A1260 HydrophobicContact CB-CB 4.29Å; M1249-A1260 HydrophobicContact SD-CB 3.87Å; M1249-Q1263 HydrophobicContact CE-CB 4.31Å; M1249-Q1263 VanDerWaalsContact CE-OE1 3.24Å; M1249-S1265 WeakPolarHBondContact CE-OG 3.46Å; M1249-L1266 PolarHBondContact N-O 2.82Å; M1249-A1267 CarbonylContact O-C 3.48Å; M1249-A1267 VanDerWaalsContact O-CA 3.32Å; M1249-A1267 WeakPolarHBondContact O-CA 3.22Å; M1249-L1268 PolarHBondContact O-N 2.61Å
1250L95.5Very high95.3Very high75 Ų7542.8 Ų42.839%0.39323%0.233SC..EExtended strand (participates in β ladder)trans-76.4125169-178.568000109.1L1268 L1315 Y1339L1250-L1268 WeakPolarHBondContact CA-O 3.36Å; L1250-L1315 HydrophobicContact CB-CD2 4.33Å; L1250-Y1339 HydrophobicContact CD1-CD1 4.16Å; L1250-Y1339 HydrophobicContact CD1-CE1 3.8Å
1251V95.5Very high95Very high3 Ų342.5 Ų42.52%0.01823%0.229CC..  trans-125146.5179.3-53.10000111.6E1256 L1257 A1260 A1267 L1268 A1269 P1270V1251-E1256 WeakPolarHBondContact CA-OE2 3.23Å; V1251-E1256 HydrophobicContact CB-CB 3.82Å; V1251-E1256 HydrophobicContact CG1-CB 4.05Å; V1251-L1257 HydrophobicContact CG2-CB 4.4Å; V1251-A1260 HydrophobicContact CG1-CB 4.15Å; V1251-A1267 HydrophobicContact CB-CB 4.5Å; V1251-A1267 HydrophobicContact CG1-CB 3.85Å; V1251-A1267 HydrophobicContact CG2-CB 3.78Å; V1251-L1268 PolarHBondContact N-O 2.82Å; V1251-A1269 HydrophobicContact CG2-CB 3.54Å; V1251-P1270 WeakPolarHBondContact O-CD 2.96Å
1252N94.6Very high94.4Very high60 Ų6045.6 Ų45.632%0.32125%0.245SC..  trans-121.4-10.2-174.7-63-74.4000113.8E1256 F1327N1252-E1256 PolarHBondContact N-OE2 2.69Å; N1252-F1327 WeakPolarHBondContact O-CA 3.47Å; N1252-F1327 WeakPolarHBondContact O-CB 3.36Å
1253D95.9Very high94.1Very high55 Ų5543.3 Ų43.329%0.29424%0.237SC..SBendtrans-148175.517469.949.4000114.1N1255 E1256 L1257 F1327D1253-N1255 VanDerWaalsContact C-N 3.34Å; D1253-N1255 PolarHBondContact O-N 3.25Å; D1253-N1255 WeakPolarHBondContact OD1-CA 3.41Å; D1253-N1255 WeakPolarHBondContact OD1-CB 3.42Å; D1253-N1255 PolarHBondContact OD1-N 3.02Å; D1253-E1256 PolarHBondContact O-N 3.34Å; D1253-E1256 PolarHBondContact OD1-N 3.32Å; D1253-L1257 PolarHBondContact O-N 3.33Å; D1253-F1327 WeakPolarHBondContact CA-O 3.47Å
1254M93.2Very high93.8Very high10 Ų1047 Ų475%0.04925%0.251CS..Hα-helixtrans-67.3-29.2-178.3-73.8-62.6-63.900113.7L1257 C1258 I1281 E1284 F1327 N1328M1254-L1257 HydrophobicContact CE-CD2 4.26Å; M1254-L1257 HydrophobicContact SD-CD2 4.14Å; M1254-C1258 PolarHBondContact O-N 3.01Å; M1254-C1258 PolarHBondContact O-SG 3.21Å; M1254-I1281 HydrophobicContact SD-CG1 4.07Å; M1254-I1281 HydrophobicContact SD-CG2 4.49Å; M1254-E1284 HydrophobicContact CE-CB 3.83Å; M1254-F1327 HydrophobicContact SD-CD2 4.42Å; M1254-F1327 HydrophobicContact SD-CE2 3.67Å; M1254-F1327 HydrophobicContact SD-CZ 4.25Å; M1254-N1328 HydrophobicContact CG-CB 4.49Å; M1254-N1328 VanDerWaalsContact CG-OD1 3.26Å; M1254-N1328 WeakPolarHBondContact CG-OD1 3.36Å; M1254-N1328 HydrophobicContact SD-CB 4.26Å
1255N91.6Very high93.8Very high115 Ų11546.9 Ų46.962%0.61525%0.25SS*.Hα-helixtrans-74-40.8178.4-68-33.7000110.4D1253 C1258 T1259D1253-N1255 VanDerWaalsContact C-N 3.34Å; D1253-N1255 PolarHBondContact O-N 3.25Å; D1253-N1255 WeakPolarHBondContact OD1-CA 3.41Å; D1253-N1255 WeakPolarHBondContact OD1-CB 3.42Å; D1253-N1255 PolarHBondContact OD1-N 3.02Å; N1255-C1258 PolarHBondContact O-N 3.5Å; N1255-T1259 WeakPolarHBondContact O-CB 3.39Å; N1255-T1259 PolarHBondContact O-N 2.58Å; N1255-T1259 PolarHBondContact O-OG1 3.43Å
1256E95.2Very high93.8Very high78 Ų7846 Ų4636%0.36424%0.243SC..Hα-helixtrans-62.6-41.5172.2-69.9-177.6-178.400111.3V1251 N1252 D1253 T1259 A1260V1251-E1256 WeakPolarHBondContact CA-OE2 3.23Å; V1251-E1256 HydrophobicContact CB-CB 3.82Å; V1251-E1256 HydrophobicContact CG1-CB 4.05Å; N1252-E1256 PolarHBondContact N-OE2 2.69Å; D1253-E1256 PolarHBondContact O-N 3.34Å; D1253-E1256 PolarHBondContact OD1-N 3.32Å; E1256-T1259 PolarHBondContact O-N 3.26Å; E1256-A1260 WeakPolarHBondContact O-CB 3.09Å; E1256-A1260 PolarHBondContact O-N 3.21Å
1257L94.8Very high93.9Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-56.3-53.1172.3173.164.5000111.1V1251 D1253 M1254 T1259 A1260 L1261 A1267 I1281 A1300 F1327 F1342V1251-L1257 HydrophobicContact CG2-CB 4.4Å; D1253-L1257 PolarHBondContact O-N 3.33Å; M1254-L1257 HydrophobicContact CE-CD2 4.26Å; M1254-L1257 HydrophobicContact SD-CD2 4.14Å; L1257-T1259 VanDerWaalsContact C-N 3.29Å; L1257-T1259 PolarHBondContact O-N 3.29Å; L1257-A1260 PolarHBondContact O-N 3.25Å; L1257-L1261 HydrophobicContact CD1-CD1 4.21Å; L1257-L1261 HydrophobicContact CD1-CD2 4.41Å; L1257-L1261 HydrophobicContact CD1-CG 4.17Å; L1257-L1261 HydrophobicContact CG-CD1 4.18Å; L1257-L1261 VanDerWaalsContact O-CG 3.3Å; L1257-L1261 WeakPolarHBondContact O-CG 3.23Å; L1257-L1261 PolarHBondContact O-N 3.05Å; L1257-A1267 HydrophobicContact CD1-CB 3.49Å; L1257-A1267 VanDerWaalsContact CD1-CB 3.49Å; L1257-I1281 HydrophobicContact CD2-CG2 3.76Å; L1257-A1300 HydrophobicContact CD1-CB 4.25Å; L1257-A1300 HydrophobicContact CD2-CB 4.21Å; L1257-F1327 HydrophobicContact CB-CE2 4.13Å; L1257-F1327 HydrophobicContact CD2-CE2 3.75Å; L1257-F1327 HydrophobicContact CD2-CZ 4.03Å; L1257-F1327 HydrophobicContact CG-CE2 4.47Å; L1257-F1342 HydrophobicContact CD1-CB 4.15Å
1258C91.3Very high93.9Very high19 Ų1940.7 Ų40.713%0.12821%0.21CC..Hα-helixtrans-60.5-41.7-179.3-64.30000111.6M1254 N1255 A1260 L1261 D1262M1254-C1258 PolarHBondContact O-N 3.01Å; M1254-C1258 PolarHBondContact O-SG 3.21Å; N1255-C1258 PolarHBondContact O-N 3.5Å; C1258-A1260 PolarHBondContact O-N 2.92Å; C1258-L1261 PolarHBondContact O-N 3.22Å; C1258-D1262 WeakPolarHBondContact O-CB 3.21Å; C1258-D1262 PolarHBondContact O-N 3.1Å
1259T91.3Very high93.9Very high70 Ų7040.3 Ų40.343%0.42921%0.208SC..Hα-helixtrans-59.8-44.8176.6-56.60000111.8N1255 E1256 L1257 D1262 Q1263N1255-T1259 WeakPolarHBondContact O-CB 3.39Å; N1255-T1259 PolarHBondContact O-N 2.58Å; N1255-T1259 PolarHBondContact O-OG1 3.43Å; E1256-T1259 PolarHBondContact O-N 3.26Å; L1257-T1259 VanDerWaalsContact C-N 3.29Å; L1257-T1259 PolarHBondContact O-N 3.29Å; T1259-D1262 PolarHBondContact O-N 2.78Å; T1259-Q1263 WeakPolarHBondContact O-CB 3.29Å; T1259-Q1263 VanDerWaalsContact O-CG 3.3Å; T1259-Q1263 WeakPolarHBondContact O-CG 3.39Å; T1259-Q1263 PolarHBondContact O-N 2.81Å
1260A93.1Very high94.1Very high2 Ų237.6 Ų37.62%0.01719%0.194CC..Hα-helixtrans-62.3-44.4176.700000111.7M1249 V1251 E1256 L1257 C1258 D1262 Q1263 K1264 S1265 A1267M1249-A1260 HydrophobicContact CB-CB 4.29Å; M1249-A1260 HydrophobicContact SD-CB 3.87Å; V1251-A1260 HydrophobicContact CG1-CB 4.15Å; E1256-A1260 WeakPolarHBondContact O-CB 3.09Å; E1256-A1260 PolarHBondContact O-N 3.21Å; L1257-A1260 PolarHBondContact O-N 3.25Å; C1258-A1260 PolarHBondContact O-N 2.92Å; A1260-D1262 VanDerWaalsContact C-N 3.32Å; A1260-D1262 PolarHBondContact O-N 3.45Å; A1260-Q1263 CarbonylContact O-C 3.57Å; A1260-Q1263 PolarHBondContact O-N 2.93Å; A1260-K1264 PolarHBondContact O-N 3.13Å; A1260-S1265 WeakPolarHBondContact O-CA 3.28Å; A1260-S1265 WeakPolarHBondContact O-CB 3.4Å; A1260-S1265 PolarHBondContact O-N 3.25Å; A1260-A1267 HydrophobicContact CB-CB 4.31Å
1261L92Very high94.2Very high5 Ų534 Ų343%0.02618%0.176CC..Hα-helixtrans-63.3-37.1177.8-62175000112.5L1257 C1258 Q1263 K1264 A1300 R1344L1257-L1261 HydrophobicContact CD1-CD1 4.21Å; L1257-L1261 HydrophobicContact CD1-CD2 4.41Å; L1257-L1261 HydrophobicContact CD1-CG 4.17Å; L1257-L1261 HydrophobicContact CG-CD1 4.18Å; L1257-L1261 VanDerWaalsContact O-CG 3.3Å; L1257-L1261 WeakPolarHBondContact O-CG 3.23Å; L1257-L1261 PolarHBondContact O-N 3.05Å; C1258-L1261 PolarHBondContact O-N 3.22Å; L1261-Q1263 VanDerWaalsContact C-N 3.29Å; L1261-K1264 PolarHBondContact O-N 3.11Å; L1261-A1300 HydrophobicContact CD1-CB 3.89Å; L1261-A1300 HydrophobicContact CD2-CB 4.37Å; L1261-R1344 HydrophobicContact CD2-CG 4.29Å; L1261-R1344 PolarHBondContact O-NH1 3Å
1262D87.2Confident94.2Very high93 Ų9334.1 Ų34.150%0.49718%0.177SC..Hα-helixtrans-72-27.3177.9-65.6-18.2000111.8C1258 T1259 A1260 K1264 R1344C1258-D1262 WeakPolarHBondContact O-CB 3.21Å; C1258-D1262 PolarHBondContact O-N 3.1Å; T1259-D1262 PolarHBondContact O-N 2.78Å; A1260-D1262 VanDerWaalsContact C-N 3.32Å; A1260-D1262 PolarHBondContact O-N 3.45Å; D1262-K1264 PolarHBondContact O-N 3.05Å; D1262-R1344 IonicContact OD1-NH2 3.09Å; D1262-R1344 PolarHBondContact OD1-NH2 2.83Å
1263Q90.3Very high94.2Very high107 Ų10732.9 Ų32.950%0.517%0.172SC..THydrogen-bonded Turntrans-83.621.3169.6-66.4174.36.800112.9M1249 T1259 A1260 L1261 S1265M1249-Q1263 HydrophobicContact CE-CB 4.31Å; M1249-Q1263 VanDerWaalsContact CE-OE1 3.24Å; T1259-Q1263 WeakPolarHBondContact O-CB 3.29Å; T1259-Q1263 VanDerWaalsContact O-CG 3.3Å; T1259-Q1263 WeakPolarHBondContact O-CG 3.39Å; T1259-Q1263 PolarHBondContact O-N 2.81Å; A1260-Q1263 CarbonylContact O-C 3.57Å; A1260-Q1263 PolarHBondContact O-N 2.93Å; L1261-Q1263 VanDerWaalsContact C-N 3.29Å; Q1263-S1265 PolarHBondContact O-N 2.96Å; Q1263-S1265 VanDerWaalsContact O-N 3.12Å; Q1263-S1265 PolarHBondContact O-OG 3.21Å; Q1263-S1265 VanDerWaalsContact O-OG 3.12Å
1264K91.3Very high94.2Very high92 Ų9232.4 Ų32.440%0.417%0.17SC..THydrogen-bonded Turntrans53.831-179-69-173.5177.8-173.40112.9Y1051 G1054 G1056 A1260 L1261 D1262Y1051-K1264 WeakPolarHBondContact CE2-O 3.27Å; Y1051-K1264 PolarHBondContact OH-O 2.62Å; G1054-K1264 PolarHBondContact O-NZ 2.95Å; G1056-K1264 WeakPolarHBondContact CA-O 3.21Å; A1260-K1264 PolarHBondContact O-N 3.13Å; L1261-K1264 PolarHBondContact O-N 3.11Å; D1262-K1264 PolarHBondContact O-N 3.05Å
1265S95.6Very high94.1Very high1 Ų137 Ų371%0.00719%0.187CC..  trans-112.4156.3-175.9-63.30000112.4H1247 M1249 A1260 Q1263H1247-S1265 CarbonylContact O-C 3.59Å; H1247-S1265 WeakPolarHBondContact O-CA 3.28Å; H1247-S1265 WeakPolarHBondContact O-CB 3.49Å; M1249-S1265 WeakPolarHBondContact CE-OG 3.46Å; A1260-S1265 WeakPolarHBondContact O-CA 3.28Å; A1260-S1265 WeakPolarHBondContact O-CB 3.4Å; A1260-S1265 PolarHBondContact O-N 3.25Å; Q1263-S1265 PolarHBondContact O-N 2.96Å; Q1263-S1265 VanDerWaalsContact O-N 3.12Å; Q1263-S1265 PolarHBondContact O-OG 3.21Å; Q1263-S1265 VanDerWaalsContact O-OG 3.12Å
1266L97.1Very high94.2Very high3 Ų337 Ų372%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-84.6156.7166-49.4-176.2000109.6Y1051 A1058 H1247 V1248 M1249 L1303 L1341Y1051-L1266 HydrophobicContact CD2-CD1 3.87Å; Y1051-L1266 HydrophobicContact CD2-CD2 4.05Å; Y1051-L1266 HydrophobicContact CD2-CG 3.66Å; Y1051-L1266 HydrophobicContact CE2-CG 4.25Å; Y1051-L1266 HydrophobicContact CG-CD1 4.37Å; A1058-L1266 HydrophobicContact CB-CD1 4.21Å; A1058-L1266 HydrophobicContact CB-CD2 3.87Å; H1247-L1266 PolarHBondContact O-N 3.11Å; V1248-L1266 WeakPolarHBondContact CA-O 3.46Å; V1248-L1266 HydrophobicContact CG2-CB 4.23Å; V1248-L1266 HydrophobicContact CG2-CD1 4.39Å; M1249-L1266 PolarHBondContact N-O 2.82Å; L1266-L1303 HydrophobicContact CD1-CD1 4.16Å; L1266-L1303 HydrophobicContact CD2-CD1 4.1Å; L1266-L1341 HydrophobicContact CB-CD1 4.09Å; L1266-L1341 HydrophobicContact CD1-CD2 4.18Å
1267A96.8Very high94.3Very high0 Ų033.4 Ų33.40%017%0.17CC..EExtended strand (participates in β ladder)trans-125.9118.7-173.700000111.1M1249 V1251 L1257 A1260 L1341 F1342M1249-A1267 CarbonylContact O-C 3.48Å; M1249-A1267 VanDerWaalsContact O-CA 3.32Å; M1249-A1267 WeakPolarHBondContact O-CA 3.22Å; V1251-A1267 HydrophobicContact CB-CB 4.5Å; V1251-A1267 HydrophobicContact CG1-CB 3.85Å; V1251-A1267 HydrophobicContact CG2-CB 3.78Å; L1257-A1267 HydrophobicContact CD1-CB 3.49Å; L1257-A1267 VanDerWaalsContact CD1-CB 3.49Å; A1260-A1267 HydrophobicContact CB-CB 4.31Å; A1267-L1341 CarbonylContact O-C 3.6Å; A1267-L1341 WeakPolarHBondContact O-CA 3.48Å; A1267-F1342 PolarHBondContact N-O 3.18Å; A1267-F1342 PolarHBondContact O-N 2.96Å
1268L98Very high94.3Very high1 Ų133.8 Ų33.81%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-89.2121.5170.1-17168.3000108.5V1248 M1249 L1250 V1251 P1306 L1315 V1316 Y1339 L1341V1248-L1268 HydrophobicContact CG1-CB 4.27Å; M1249-L1268 PolarHBondContact O-N 2.61Å; L1250-L1268 WeakPolarHBondContact CA-O 3.36Å; V1251-L1268 PolarHBondContact N-O 2.82Å; L1268-P1306 HydrophobicContact CD1-CG 3.99Å; L1268-L1315 HydrophobicContact CD2-CB 3.98Å; L1268-L1315 HydrophobicContact CD2-CD1 4.48Å; L1268-L1315 HydrophobicContact CD2-CD2 4.31Å; L1268-L1315 HydrophobicContact CD2-CG 4.49Å; L1268-V1316 WeakPolarHBondContact CD2-O 3.49Å; L1268-Y1339 HydrophobicContact CG-CD1 4.44Å; L1268-L1341 HydrophobicContact CB-CD1 4.32Å; L1268-L1341 HydrophobicContact CD1-CB 4.32Å; L1268-L1341 HydrophobicContact CD1-CD1 4.35Å
1269A97.5Very high94.3Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-137.2143.2-170.400000113V1251 F1271 F1327 Y1339 T1340 F1342V1251-A1269 HydrophobicContact CG2-CB 3.54Å; A1269-F1271 PolarHBondContact O-N 2.84Å; A1269-F1327 HydrophobicContact CB-CB 4.19Å; A1269-F1327 HydrophobicContact CB-CD1 3.57Å; A1269-F1327 HydrophobicContact CB-CD2 4.17Å; A1269-F1327 HydrophobicContact CB-CE1 3.9Å; A1269-F1327 HydrophobicContact CB-CE2 4.48Å; A1269-F1327 HydrophobicContact CB-CG 3.71Å; A1269-F1327 HydrophobicContact CB-CZ 4.35Å; A1269-Y1339 CarbonylContact O-C 3.51Å; A1269-Y1339 WeakPolarHBondContact O-CA 3.23Å; A1269-T1340 PolarHBondContact N-O 2.84Å; A1269-T1340 PolarHBondContact O-N 2.77Å; A1269-F1342 HydrophobicContact CB-CD2 4.07Å; A1269-F1342 HydrophobicContact CB-CE2 4.25Å
1270P97.4Very high94.3Very high0 Ų035 Ų350%017%0.174CC..EExtended strand (participates in β ladder)trans-69.8111.9171.828.6-31.7000110.1V1251 P1320 T1324 C1326 F1327 A1336 Y1339V1251-P1270 WeakPolarHBondContact O-CD 2.96Å; P1270-P1320 HydrophobicContact CB-CG 4.09Å; P1270-T1324 HydrophobicContact CB-CG2 3.87Å; P1270-T1324 HydrophobicContact CG-CG2 4.31Å; P1270-C1326 CarbonylContact O-C 3.52Å; P1270-F1327 HydrophobicContact CG-CB 4.13Å; P1270-F1327 WeakPolarHBondContact O-CD1 3.31Å; P1270-F1327 PolarHBondContact O-N 3.18Å; P1270-A1336 HydrophobicContact CB-CB 3.71Å; P1270-Y1339 HydrophobicContact CB-CD1 4.28Å; P1270-Y1339 HydrophobicContact CB-CE1 3.95Å; P1270-Y1339 HydrophobicContact CG-CE1 4.23Å
1271F97.8Very high94.4Very high0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-122.8145.6-170.2-179.3-129.3000112.5T1034 A1269 C1273 C1277 E1278 I1281 F1327 A1336 I1337 S1338 T1340 F1342T1034-F1271 HydrophobicContact CG2-CE1 4.36Å; A1269-F1271 PolarHBondContact O-N 2.84Å; F1271-C1273 VanDerWaalsContact C-N 3.3Å; F1271-C1273 VanDerWaalsContact CD1-N 3.34Å; F1271-C1273 PolarHBondContact O-N 3.37Å; F1271-C1277 HydrophobicContact CE2-CB 3.91Å; F1271-C1277 HydrophobicContact CZ-CB 4.38Å; F1271-E1278 HydrophobicContact CE1-CB 4.49Å; F1271-E1278 HydrophobicContact CE1-CG 4.38Å; F1271-E1278 HydrophobicContact CZ-CB 3.83Å; F1271-E1278 HydrophobicContact CZ-CG 4.1Å; F1271-I1281 HydrophobicContact CD2-CD1 3.83Å; F1271-I1281 HydrophobicContact CE2-CD1 3.49Å; F1271-I1281 VanDerWaalsContact CE2-CD1 3.49Å; F1271-I1281 HydrophobicContact CZ-CD1 4.32Å; F1271-F1327 HydrophobicContact CB-CD1 4.46Å; F1271-F1327 HydrophobicContact CD2-CD1 4.44Å; F1271-F1327 HydrophobicContact CD2-CE1 4.06Å; F1271-A1336 CarbonylContact O-C 3.58Å; F1271-A1336 WeakPolarHBondContact O-CA 3.13Å; F1271-I1337 PolarHBondContact O-N 2.92Å; F1271-S1338 PolarHBondContact N-O 3.37Å; F1271-S1338 PolarHBondContact O-N 2.74Å; F1271-T1340 HydrophobicContact CD1-CG2 4.18Å; F1271-F1342 HydrophobicContact CB-CE2 3.98Å; F1271-F1342 HydrophobicContact CB-CZ 4.18Å; F1271-F1342 HydrophobicContact CD1-CE2 4.3Å; F1271-F1342 AromaticContact CD1-CZ 3.75Å; F1271-F1342 HydrophobicContact CD1-CZ 3.75Å; F1271-F1342 HydrophobicContact CD2-CE2 4.48Å; F1271-F1342 AromaticContact CD2-CZ 3.93Å; F1271-F1342 HydrophobicContact CD2-CZ 3.93Å; F1271-F1342 HydrophobicContact CE1-CZ 4.07Å; F1271-F1342 HydrophobicContact CE2-CZ 4.29Å; F1271-F1342 HydrophobicContact CG-CE2 4.02Å; F1271-F1342 AromaticContact CG-CZ 3.69Å; F1271-F1342 HydrophobicContact CG-CZ 3.69Å; F1271-F1342 HydrophobicContact CZ-CZ 4.36Å
1272C96.4Very high94.4Very high6 Ų638.1 Ų38.14%0.04119%0.187CC..  trans-80.9-4.1-179.463.20000114.5D1274 C1326 C1332 R1334 K1335 I1337C1272-D1274 PolarHBondContact O-N 3.37Å; C1272-D1274 VanDerWaalsContact O-N 3.13Å; C1272-C1326 HydrophobicContact CB-CB 4.01Å; C1272-C1332 VanDerWaalsContact SG-SG 3.68Å; C1272-R1334 HydrophobicContact CB-CB 3.82Å; C1272-K1335 VanDerWaalsContact CB-O 3.26Å; C1272-K1335 WeakPolarHBondContact CB-O 3.05Å; C1272-I1337 WeakPolarHBondContact O-CD1 3.36Å
1273C94.1Very high94.4Very high34 Ų3438.6 Ų38.623%0.2319%0.186CC..  trans60.515.1-178.3-610000115.6F1271 S1338F1271-C1273 VanDerWaalsContact C-N 3.3Å; F1271-C1273 VanDerWaalsContact CD1-N 3.34Å; F1271-C1273 PolarHBondContact O-N 3.37Å; C1273-S1338 PolarHBondContact SG-OG 3.18Å
1274D95.2Very high94.2Very high44 Ų4435 Ų3524%0.23517%0.169CC..  trans-83.8132.7178.8-179.8-96.7000111.8C1272 D1276 C1277 E1278 R1334C1272-D1274 PolarHBondContact O-N 3.37Å; C1272-D1274 VanDerWaalsContact O-N 3.13Å; D1274-D1276 VanDerWaalsContact C-N 3.32Å; D1274-D1276 PolarHBondContact O-N 3.36Å; D1274-D1276 WeakPolarHBondContact OD1-CB 3.29Å; D1274-D1276 PolarHBondContact OD1-N 3.05Å; D1274-C1277 HydrophobicContact CB-CB 4.03Å; D1274-C1277 WeakPolarHBondContact O-CB 3.37Å; D1274-C1277 PolarHBondContact O-N 3Å; D1274-C1277 PolarHBondContact OD1-N 3Å; D1274-E1278 PolarHBondContact O-N 3.5Å; D1274-R1334 VanDerWaalsContact CG-NH2 3.28Å; D1274-R1334 IonicContact OD1-CZ 2.67Å; D1274-R1334 IonicContact OD1-NH1 3.27Å; D1274-R1334 PolarHBondContact OD1-NH1 2.83Å; D1274-R1334 VanDerWaalsContact OD1-NH1 3.13Å; D1274-R1334 IonicContact OD1-NH2 2.77Å; D1274-R1334 PolarHBondContact OD1-NH2 3.01Å; D1274-R1334 IonicContact OD2-CZ 3.37Å; D1274-R1334 IonicContact OD2-NH1 2.89Å; D1274-R1334 PolarHBondContact OD2-NH1 3.27Å; D1274-R1334 IonicContact OD2-NH2 3.38Å
1275R92.8Very high94.1Very high108 Ų10830.8 Ų30.841%0.40815%0.151SC..Hα-helixtrans-61.2-37.1-175.3-63.5-172.4-176.9-163.9-1113E1035 R1036 E1278 E1279E1035-R1275 IonicContact OE1-CZ 2.71Å; E1035-R1275 IonicContact OE1-NH2 3.09Å; E1035-R1275 PolarHBondContact OE1-NH2 2.97Å; R1036-R1275 HydrophobicContact CB-CG 4.29Å; R1275-E1278 PolarHBondContact O-N 3.02Å; R1275-E1279 PolarHBondContact O-N 3.02Å
1276D93.1Very high93.5Very high114 Ų11431.8 Ų31.861%0.6116%0.16SC*.Hα-helixtrans-75.2-38.3-179.1-63.1-28.3000110.4D1274 E1278 E1279 V1280D1274-D1276 VanDerWaalsContact C-N 3.32Å; D1274-D1276 PolarHBondContact O-N 3.36Å; D1274-D1276 WeakPolarHBondContact OD1-CB 3.29Å; D1274-D1276 PolarHBondContact OD1-N 3.05Å; D1276-E1278 VanDerWaalsContact C-N 3.29Å; D1276-E1278 PolarHBondContact O-N 3.5Å; D1276-E1279 PolarHBondContact O-N 3.32Å; D1276-V1280 WeakPolarHBondContact O-CG2 3.41Å; D1276-V1280 PolarHBondContact O-N 3.02Å; D1276-V1280 VanDerWaalsContact O-N 3.09Å
1277C96.7Very high91.7Very high3 Ų339 Ų392%0.0219%0.187CC..Hα-helixtrans-60.4-40.6172.8-165.90000112.1F1271 D1274 E1279 V1280 I1281 C1332F1271-C1277 HydrophobicContact CE2-CB 3.91Å; F1271-C1277 HydrophobicContact CZ-CB 4.38Å; D1274-C1277 HydrophobicContact CB-CB 4.03Å; D1274-C1277 WeakPolarHBondContact O-CB 3.37Å; D1274-C1277 PolarHBondContact O-N 3Å; D1274-C1277 PolarHBondContact OD1-N 3Å; C1277-E1279 VanDerWaalsContact C-N 3.34Å; C1277-V1280 PolarHBondContact O-N 2.95Å; C1277-I1281 WeakPolarHBondContact O-CD1 3.33Å; C1277-I1281 VanDerWaalsContact O-CG1 3.31Å; C1277-I1281 WeakPolarHBondContact O-CG1 3.29Å; C1277-I1281 PolarHBondContact O-N 2.89Å; C1277-C1332 VanDerWaalsContact SG-SG 3.68Å
1278E94.7Very high89.6Confident7 Ų744.4 Ų44.43%0.03322%0.216CC..Hα-helixtrans-61.4-42.2178.4-154.8173.9150.900111.9T1034 E1037 F1271 D1274 R1275 D1276 I1281 K1282 S1302T1034-E1278 WeakPolarHBondContact CB-OE2 3.39Å; T1034-E1278 PolarHBondContact OG1-OE1 3.22Å; T1034-E1278 PolarHBondContact OG1-OE2 2.8Å; E1037-E1278 WeakPolarHBondContact CG-OE1 3.28Å; F1271-E1278 HydrophobicContact CE1-CB 4.49Å; F1271-E1278 HydrophobicContact CE1-CG 4.38Å; F1271-E1278 HydrophobicContact CZ-CB 3.83Å; F1271-E1278 HydrophobicContact CZ-CG 4.1Å; D1274-E1278 PolarHBondContact O-N 3.5Å; R1275-E1278 PolarHBondContact O-N 3.02Å; D1276-E1278 VanDerWaalsContact C-N 3.29Å; D1276-E1278 PolarHBondContact O-N 3.5Å; E1278-I1281 PolarHBondContact O-N 3.22Å; E1278-K1282 PolarHBondContact O-N 3.05Å; E1278-S1302 VanDerWaalsContact CD-OG 3.29Å; E1278-S1302 WeakPolarHBondContact OE1-CB 3.39Å; E1278-S1302 PolarHBondContact OE1-OG 2.83Å
1279E90.9Very high87.3Confident66 Ų6645.6 Ų45.631%0.30822%0.223SC..Hα-helixtrans-68.7-36.7178.1-165.861.7-159.200112R1036 R1275 D1276 C1277 K1282 H1283R1036-E1279 IonicContact CZ-OE2 3.62Å; R1036-E1279 IonicContact NE-OE2 2.75Å; R1036-E1279 PolarHBondContact NE-OE2 2.61Å; R1036-E1279 VanDerWaalsContact NH2-CD 3.29Å; R1036-E1279 IonicContact NH2-OE1 3.58Å; R1036-E1279 IonicContact NH2-OE2 3.71Å; R1036-E1279 PolarHBondContact NH2-OE2 3.44Å; R1275-E1279 PolarHBondContact O-N 3.02Å; D1276-E1279 PolarHBondContact O-N 3.32Å; C1277-E1279 VanDerWaalsContact C-N 3.34Å; E1279-K1282 PolarHBondContact O-N 2.6Å; E1279-K1282 IonicContact OE1-NZ 2.93Å; E1279-H1283 WeakPolarHBondContact O-CB 3.49Å; E1279-H1283 PolarHBondContact O-N 3.35Å
1280V92.8Very high85Confident50 Ų5050.4 Ų50.430%0.30325%0.248SC..Hα-helixtrans-62-45.3172.2174.50000110.8D1276 C1277 K1282 H1283 E1284 Y1331D1276-V1280 WeakPolarHBondContact O-CG2 3.41Å; D1276-V1280 PolarHBondContact O-N 3.02Å; D1276-V1280 VanDerWaalsContact O-N 3.09Å; C1277-V1280 PolarHBondContact O-N 2.95Å; V1280-K1282 VanDerWaalsContact C-N 3.33Å; V1280-K1282 PolarHBondContact O-N 3.07Å; V1280-H1283 PolarHBondContact O-N 3.34Å; V1280-E1284 HydrophobicContact CG1-CG 3.86Å; V1280-E1284 VanDerWaalsContact O-CB 3.31Å; V1280-E1284 WeakPolarHBondContact O-CB 3.43Å; V1280-E1284 VanDerWaalsContact O-CG 3.24Å; V1280-E1284 WeakPolarHBondContact O-CG 3.46Å; V1280-E1284 PolarHBondContact O-N 2.99Å; V1280-Y1331 HydrophobicContact CG1-CD2 3.81Å; V1280-Y1331 HydrophobicContact CG1-CG 3.83Å
1281I94.6Very high82.6Confident0 Ų052 Ų520%026%0.257CS..Hα-helixtrans-57.7-48.4177.7-70.2157.6000110.4M1254 L1257 F1271 C1277 E1278 S1285 F1327 N1328 F1342M1254-I1281 HydrophobicContact SD-CG1 4.07Å; M1254-I1281 HydrophobicContact SD-CG2 4.49Å; L1257-I1281 HydrophobicContact CD2-CG2 3.76Å; F1271-I1281 HydrophobicContact CD2-CD1 3.83Å; F1271-I1281 HydrophobicContact CE2-CD1 3.49Å; F1271-I1281 VanDerWaalsContact CE2-CD1 3.49Å; F1271-I1281 HydrophobicContact CZ-CD1 4.32Å; C1277-I1281 WeakPolarHBondContact O-CD1 3.33Å; C1277-I1281 VanDerWaalsContact O-CG1 3.31Å; C1277-I1281 WeakPolarHBondContact O-CG1 3.29Å; C1277-I1281 PolarHBondContact O-N 2.89Å; E1278-I1281 PolarHBondContact O-N 3.22Å; I1281-S1285 VanDerWaalsContact O-CB 3.26Å; I1281-S1285 WeakPolarHBondContact O-CB 3.43Å; I1281-S1285 PolarHBondContact O-N 2.89Å; I1281-S1285 PolarHBondContact O-OG 3.04Å; I1281-F1327 HydrophobicContact CD1-CE1 3.45Å; I1281-F1327 VanDerWaalsContact CD1-CE1 3.45Å; I1281-F1327 HydrophobicContact CD1-CZ 3.49Å; I1281-F1327 VanDerWaalsContact CD1-CZ 3.49Å; I1281-F1327 HydrophobicContact CG1-CE1 4.23Å; I1281-F1327 HydrophobicContact CG1-CZ 3.77Å; I1281-F1327 HydrophobicContact CG2-CZ 3.94Å; I1281-N1328 HydrophobicContact CD1-CB 4.13Å; I1281-N1328 HydrophobicContact CG1-CB 3.92Å; I1281-F1342 HydrophobicContact CD1-CE1 4.13Å; I1281-F1342 HydrophobicContact CD1-CZ 4.1Å; I1281-F1342 HydrophobicContact CG2-CD1 4.14Å; I1281-F1342 HydrophobicContact CG2-CE1 4.11Å
1282K92.4Very high80.1Confident72 Ų7255.3 Ų55.331%0.31327%0.273SS..Hα-helixtrans-60.7-45.4178.2-179.2-174.6169.2-162.30111.9E1278 E1279 V1280 S1285 A1286 G1299 A1300E1278-K1282 PolarHBondContact O-N 3.05Å; E1279-K1282 PolarHBondContact O-N 2.6Å; E1279-K1282 IonicContact OE1-NZ 2.93Å; V1280-K1282 VanDerWaalsContact C-N 3.33Å; V1280-K1282 PolarHBondContact O-N 3.07Å; K1282-S1285 PolarHBondContact O-OG 2.75Å; K1282-A1286 PolarHBondContact O-N 3.03Å; K1282-G1299 WeakPolarHBondContact O-CA 3.46Å; K1282-A1300 VanDerWaalsContact CA-O 3.28Å; K1282-A1300 WeakPolarHBondContact CA-O 3.42Å; K1282-A1300 WeakPolarHBondContact CB-O 3.4Å
1283H87.9Confident77.3Confident102 Ų10258 Ų5847%0.47229%0.29SS..Hα-helixtrans-66.4-47.1179.8-178.6-98.1000112.5E1279 V1280 A1286 R1287E1279-H1283 WeakPolarHBondContact O-CB 3.49Å; E1279-H1283 PolarHBondContact O-N 3.35Å; V1280-H1283 PolarHBondContact O-N 3.34Å; H1283-A1286 WeakPolarHBondContact O-CB 3.46Å; H1283-A1286 PolarHBondContact O-N 2.76Å; H1283-R1287 PolarHBondContact CE1-NH2 2.8Å
1284E85.7Confident74.6Confident31 Ų3159 Ų5915%0.14531%0.307CS..Hα-helixtrans-72.8-33.9-174.4-65.7-62125.800112.3M1254 V1280 A1286 R1287 Y1331M1254-E1284 HydrophobicContact CE-CB 3.83Å; V1280-E1284 HydrophobicContact CG1-CG 3.86Å; V1280-E1284 VanDerWaalsContact O-CB 3.31Å; V1280-E1284 WeakPolarHBondContact O-CB 3.43Å; V1280-E1284 VanDerWaalsContact O-CG 3.24Å; V1280-E1284 WeakPolarHBondContact O-CG 3.46Å; V1280-E1284 PolarHBondContact O-N 2.99Å; E1284-A1286 VanDerWaalsContact C-N 3.29Å; E1284-A1286 PolarHBondContact O-N 3.1Å; E1284-R1287 IonicContact OE1-CZ 2.75Å; E1284-R1287 IonicContact OE1-NE 3.21Å; E1284-R1287 IonicContact OE1-NH1 3.92Å; E1284-R1287 PolarHBondContact OE1-NH1 2.85Å; E1284-R1287 IonicContact OE1-NH2 2.83Å; E1284-R1287 PolarHBondContact OE1-NH2 2.9Å; E1284-R1287 VanDerWaalsContact OE1-NH2 3.14Å; E1284-R1287 IonicContact OE2-CZ 2.77Å; E1284-R1287 IonicContact OE2-NH1 3.52Å; E1284-R1287 PolarHBondContact OE2-NH1 2.81Å; E1284-Y1331 HydrophobicContact CB-CE2 4.25Å; E1284-Y1331 HydrophobicContact CG-CD2 4.18Å; E1284-Y1331 HydrophobicContact CG-CE2 3.65Å; E1284-Y1331 PolarHBondContact OE2-OH 2.87Å
1285S88.9Confident72Confident4 Ų458.2 Ų58.23%0.02831%0.306CS..Hα-helixtrans-76.7-10.6175.360.80000114.3I1281 K1282 G1299 A1300I1281-S1285 VanDerWaalsContact O-CB 3.26Å; I1281-S1285 WeakPolarHBondContact O-CB 3.43Å; I1281-S1285 PolarHBondContact O-N 2.89Å; I1281-S1285 PolarHBondContact O-OG 3.04Å; K1282-S1285 PolarHBondContact O-OG 2.75Å; S1285-G1299 WeakPolarHBondContact OG-CA 3.41Å; S1285-A1300 PolarHBondContact OG-N 2.91Å
1286A82.2Confident69.6Low23 Ų2357.4 Ų57.419%0.1931%0.314CS..THydrogen-bonded Turntrans-78.1-22.3175.200000113.1K1282 H1283 E1284 N1288K1282-A1286 PolarHBondContact O-N 3.03Å; H1283-A1286 WeakPolarHBondContact O-CB 3.46Å; H1283-A1286 PolarHBondContact O-N 2.76Å; E1284-A1286 VanDerWaalsContact C-N 3.29Å; E1284-A1286 PolarHBondContact O-N 3.1Å; A1286-N1288 PolarHBondContact O-N 2.84Å; A1286-N1288 VanDerWaalsContact O-N 3.12Å
1287R59.7Low67.6Low154 Ų15454.7 Ų54.758%0.58131%0.308SS*.THydrogen-bonded Turntrans-68-12.1-165.9-73.3-177.9171.7162.41.2115.9H1283 E1284H1283-R1287 PolarHBondContact CE1-NH2 2.8Å; E1284-R1287 IonicContact OE1-CZ 2.75Å; E1284-R1287 IonicContact OE1-NE 3.21Å; E1284-R1287 IonicContact OE1-NH1 3.92Å; E1284-R1287 PolarHBondContact OE1-NH1 2.85Å; E1284-R1287 IonicContact OE1-NH2 2.83Å; E1284-R1287 PolarHBondContact OE1-NH2 2.9Å; E1284-R1287 VanDerWaalsContact OE1-NH2 3.14Å; E1284-R1287 IonicContact OE2-CZ 2.77Å; E1284-R1287 IonicContact OE2-NH1 3.52Å; E1284-R1287 PolarHBondContact OE2-NH1 2.81Å
1288N52.2Low66.3Low113 Ų11356 Ų5660%0.60431%0.314SS*.THydrogen-bonded Turntrans-121.313.8-172.9-67.3-23.1000114.3A1286A1286-N1288 PolarHBondContact O-N 2.84Å; A1286-N1288 VanDerWaalsContact O-N 3.12Å
1289V50.9Low65.8Low26 Ų2655.9 Ų55.916%0.15832%0.315CS..  trans-97.6112.6-171.2-166.20000111.7V1291 R1344V1289-V1291 HydrophobicContact CG1-CG2 4.26Å; V1289-V1291 PolarHBondContact O-N 2.88Å; V1289-R1344 VanDerWaalsContact CG1-CZ 3.47Å
1290I49.4Very low66Low102 Ų10252.8 Ų52.852%0.52330%0.301SS..  trans-69.3109.5157.1-57.8172.7000106.1
1291V45.4Very low66Low34 Ų3453.4 Ų53.421%0.20630%0.299CS..PPolyproline II helixtrans-91.5150.5-179.3-1500000109.8V1289 A1295 P1296 A1297V1289-V1291 HydrophobicContact CG1-CG2 4.26Å; V1289-V1291 PolarHBondContact O-N 2.88Å; V1291-A1295 HydrophobicContact CG1-CB 3.42Å; V1291-A1295 VanDerWaalsContact CG1-CB 3.42Å; V1291-A1295 VanDerWaalsContact CG1-O 3.32Å; V1291-A1295 WeakPolarHBondContact CG1-O 3.12Å; V1291-P1296 WeakPolarHBondContact CG1-O 3.19Å; V1291-A1297 HydrophobicContact CG2-CB 3.98Å
1292E45.8Very low66.1Low69 Ų6953.4 Ų53.432%0.32230%0.3SS..PPolyproline II helixtrans-50.6136.7158.4-71.5176.316500109.5G1294 A1295E1292-G1294 PolarHBondContact O-N 2.92Å; E1292-A1295 PolarHBondContact O-N 3.06Å
1293P37.3Very low66.4Low62 Ų6250.1 Ų50.140%0.40329%0.285SS..THydrogen-bonded Turntrans-49.1128.5178.2-28.134.9000112.3E472 A1295E472-P1293 WeakPolarHBondContact OE1-CB 3.45Å; E472-P1293 WeakPolarHBondContact OE2-CB 3.37Å; E472-P1293 WeakPolarHBondContact OE2-CG 3.4Å; P1293-A1295 PolarHBondContact O-N 2.79Å
1294G37.1Very low66.9Low56 Ų5645.2 Ų45.258%0.57726%0.263SS*.THydrogen-bonded Turntrans86-10.6-179.700000116.4E1292E1292-G1294 PolarHBondContact O-N 2.92Å
1295A41.3Very low67.4Low27 Ų2745.3 Ų45.322%0.22326%0.264CS..SBendtrans-86.7137.9170.100000110.6V1291 E1292 P1293V1291-A1295 HydrophobicContact CG1-CB 3.42Å; V1291-A1295 VanDerWaalsContact CG1-CB 3.42Å; V1291-A1295 VanDerWaalsContact CG1-O 3.32Å; V1291-A1295 WeakPolarHBondContact CG1-O 3.12Å; E1292-A1295 PolarHBondContact O-N 3.06Å; P1293-A1295 PolarHBondContact O-N 2.79Å
1296P43Very low67.9Low90 Ų9045.3 Ų45.358%0.58426%0.264SS*.  trans-61.9150.1174.522.8-29.5000110.5V1291 M1298V1291-P1296 WeakPolarHBondContact CG1-O 3.19Å; P1296-M1298 VanDerWaalsContact C-N 3.35Å; P1296-M1298 HydrophobicContact CB-CG 4.47Å; P1296-M1298 HydrophobicContact CG-CG 3.96Å; P1296-M1298 HydrophobicContact CG-SD 4.37Å; P1296-M1298 VanDerWaalsContact O-CG 3.26Å; P1296-M1298 WeakPolarHBondContact O-CG 3.44Å; P1296-M1298 PolarHBondContact O-N 3.22Å
1297A49.9Very low68.5Low57 Ų5748.1 Ų48.147%0.47127%0.272SS..  trans-60.899.5167.300000108.5V1291 G1299V1291-A1297 HydrophobicContact CG2-CB 3.98Å; A1297-G1299 PolarHBondContact O-N 3.42Å
1298M70.1Confident70.1Confident30 Ų3042.7 Ų42.715%0.14826%0.26CS..  trans-92.9104.1-174.9-66.7-162.8-65.200108.8P1296 R1344 S1345P1296-M1298 VanDerWaalsContact C-N 3.35Å; P1296-M1298 HydrophobicContact CB-CG 4.47Å; P1296-M1298 HydrophobicContact CG-CG 3.96Å; P1296-M1298 HydrophobicContact CG-SD 4.37Å; P1296-M1298 VanDerWaalsContact O-CG 3.26Å; P1296-M1298 WeakPolarHBondContact O-CG 3.44Å; P1296-M1298 PolarHBondContact O-N 3.22Å; M1298-R1344 WeakPolarHBondContact O-CG 3.37Å; M1298-R1344 PolarHBondContact O-NE 2.98Å; M1298-S1345 WeakPolarHBondContact CE-O 3.27Å
1299G85.2Confident72.1Confident6 Ų637.8 Ų37.86%0.06223%0.234CC..  trans-64.5162.1161.900000111.5K1282 S1285 A1297 K1301K1282-G1299 WeakPolarHBondContact O-CA 3.46Å; S1285-G1299 WeakPolarHBondContact OG-CA 3.41Å; A1297-G1299 PolarHBondContact O-N 3.42Å; G1299-K1301 PolarHBondContact O-N 2.86Å
1300A93.5Very high73.9Confident1 Ų143.3 Ų43.31%0.00826%0.263CS..  trans-62.5135.3176.900000111.3L1257 L1261 K1282 S1285 F1342 G1343L1257-A1300 HydrophobicContact CD1-CB 4.25Å; L1257-A1300 HydrophobicContact CD2-CB 4.21Å; L1261-A1300 HydrophobicContact CD1-CB 3.89Å; L1261-A1300 HydrophobicContact CD2-CB 4.37Å; K1282-A1300 VanDerWaalsContact CA-O 3.28Å; K1282-A1300 WeakPolarHBondContact CA-O 3.42Å; K1282-A1300 WeakPolarHBondContact CB-O 3.4Å; S1285-A1300 PolarHBondContact OG-N 2.91Å; A1300-F1342 HydrophobicContact CB-CB 4.35Å; A1300-G1343 WeakPolarHBondContact CA-O 3.4Å
1301K94.5Very high75.9Confident62 Ų6240.1 Ų40.127%0.2725%0.245SC..EExtended strand (participates in β ladder)trans-104.7155.9166.7-63.1-174.9-179.6-177.20109.3G1299 L1303 F1342 G1343G1299-K1301 PolarHBondContact O-N 2.86Å; K1301-L1303 PolarHBondContact O-N 2.9Å; K1301-F1342 VanDerWaalsContact O-CA 3.28Å; K1301-F1342 WeakPolarHBondContact O-CA 3.23Å; K1301-F1342 WeakPolarHBondContact O-CD1 2.92Å; K1301-G1343 PolarHBondContact N-O 3.29Å; K1301-G1343 PolarHBondContact O-N 3.08Å; K1301-G1343 VanDerWaalsContact O-N 3.11Å
1302S96.7Very high78Confident1 Ų139.9 Ų39.91%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-69.4126.3162.979.60000108.4T1034 E1278T1034-S1302 WeakPolarHBondContact CG2-OG 3.47Å; T1034-S1302 PolarHBondContact OG1-OG 2.95Å; E1278-S1302 VanDerWaalsContact CD-OG 3.29Å; E1278-S1302 WeakPolarHBondContact OE1-CB 3.39Å; E1278-S1302 PolarHBondContact OE1-OG 2.83Å
1303L97.6Very high79.9Confident2 Ų242.6 Ų42.61%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-88.3-55.9-178.8-57.7176.1000108.7K1033 E1049 A1058 L1266 K1301 L1341K1033-L1303 WeakPolarHBondContact CD-O 3.39Å; K1033-L1303 PolarHBondContact NZ-O 3.08Å; E1049-L1303 HydrophobicContact CG-CB 4.09Å; A1058-L1303 HydrophobicContact CB-CD1 3.25Å; A1058-L1303 HydrophobicContact CB-CD2 3.69Å; A1058-L1303 HydrophobicContact CB-CG 4.09Å; L1266-L1303 HydrophobicContact CD1-CD1 4.16Å; L1266-L1303 HydrophobicContact CD2-CD1 4.1Å; K1301-L1303 PolarHBondContact O-N 2.9Å; L1303-L1341 HydrophobicContact CB-CD2 4.41Å; L1303-L1341 HydrophobicContact CD1-CD2 4.01Å; L1303-L1341 HydrophobicContact CD1-CG 4.05Å; L1303-L1341 PolarHBondContact N-O 2.84Å
1304C98Very high82.3Confident0 Ų044.9 Ų44.90%028%0.28CS..EExtended strand (participates in β ladder)trans-164.2167.1170.966.30000111R1032 T1047 E1049 P1306 L1341R1032-C1304 CarbonylContact O-C 3.35Å; R1032-C1304 WeakPolarHBondContact O-CA 3.09Å; T1047-C1304 HydrophobicContact CG2-CB 3.52Å; E1049-C1304 HydrophobicContact CG-CB 4.18Å; C1304-P1306 VanDerWaalsContact O-CD 3.32Å; C1304-P1306 WeakPolarHBondContact O-CD 3.37Å; C1304-L1341 PolarHBondContact O-N 3.35Å
1305I97.8Very high84.8Confident33 Ų3343.1 Ų43.117%0.16926%0.257CS..EExtended strand (participates in β ladder)trans-87.9103.8159.3-57.9169000105.9G1031 R1032 T1340G1031-I1305 CarbonylContact C-O 3.53Å; G1031-I1305 WeakPolarHBondContact CA-O 3.45Å; R1032-I1305 PolarHBondContact N-O 2.7Å; R1032-I1305 PolarHBondContact O-N 3.45Å; I1305-T1340 HydrophobicContact CG1-CG2 4.42Å
1306P97.9Very high86.7Confident4 Ų445.6 Ų45.63%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-67.6141.3-174.7-19.434.3000111.3V1029 K1030 L1268 C1304 Y1339 L1341V1029-P1306 HydrophobicContact CG1-CB 3.7Å; V1029-P1306 HydrophobicContact CG1-CG 3.97Å; K1030-P1306 WeakPolarHBondContact O-CA 3.49Å; L1268-P1306 HydrophobicContact CD1-CG 3.99Å; C1304-P1306 VanDerWaalsContact O-CD 3.32Å; C1304-P1306 WeakPolarHBondContact O-CD 3.37Å; P1306-Y1339 WeakPolarHBondContact CD-O 3.43Å; P1306-L1341 HydrophobicContact CG-CB 3.9Å
1307F96.1Very high88.8Confident81 Ų8142.8 Ų42.836%0.35525%0.251SS..SBendtrans-77.9-37175-58.5-47.9000112L1013 K1030 G1031 R1032 T1046L1013-F1307 HydrophobicContact CD2-CD2 4.18Å; L1013-F1307 HydrophobicContact CD2-CE2 3.68Å; K1030-F1307 HydrophobicContact CB-CD2 4.08Å; K1030-F1307 PolarHBondContact O-N 3.24Å; G1031-F1307 WeakPolarHBondContact O-CE2 3.33Å; R1032-F1307 HydrophobicContact CB-CE1 3.85Å; R1032-F1307 HydrophobicContact CB-CZ 3.74Å; R1032-F1307 VanDerWaalsContact N-CZ 3.26Å; T1046-F1307 HydrophobicContact CG2-CE2 4.25Å; T1046-F1307 HydrophobicContact CG2-CZ 3.96Å
1308A93.5Very high90.5Very high40 Ų4041.6 Ų41.633%0.33124%0.244SC..  trans-149157177.200000109.7
1309C92.4Very high91.5Very high10 Ų1045 Ų457%0.06827%0.271CS..  trans-120.638.8-175.3-66.20000109.3F1311 N1312 L1315 C1317C1309-F1311 PolarHBondContact O-N 2.96Å; C1309-N1312 CarbonylContact O-C 3.44Å; C1309-N1312 VanDerWaalsContact O-C 3.23Å; C1309-N1312 PolarHBondContact O-N 3.43Å; C1309-L1315 HydrophobicContact CB-CB 3.82Å; C1309-C1317 HydrophobicContact CB-CB 4.31Å; C1309-C1317 WeakPolarHBondContact CB-SG 3.47Å; C1309-C1317 PolarHBondContact N-SG 2.97Å; C1309-C1317 WeakPolarHBondContact SG-CB 3.46Å; C1309-C1317 CovalentContact SG-SG 2.07Å; C1309-C1317 PolarHBondContact SG-SG 3.3Å
1310D88.9Confident91.7Very high143 Ų14345.4 Ų45.477%0.76527%0.273SS*.THydrogen-bonded Turntrans-60-24.3-165.8-59-32.2000114.1N1312D1310-N1312 PolarHBondContact O-N 3.34Å
1311F91.1Very high91.6Very high34 Ų3448.5 Ų48.515%0.14930%0.298CS..THydrogen-bonded Turntrans-66.4-21.2174.162.4-94.1000113.1V1029 T1241 L1244 A1245 V1248 C1309 L1315V1029-F1311 HydrophobicContact CG1-CE1 4.5Å; V1029-F1311 HydrophobicContact CG2-CD1 4.29Å; V1029-F1311 HydrophobicContact CG2-CE1 3.63Å; V1029-F1311 HydrophobicContact CG2-CZ 4.22Å; T1241-F1311 HydrophobicContact CG2-CB 3.89Å; L1244-F1311 HydrophobicContact CD2-CB 4.13Å; L1244-F1311 HydrophobicContact CD2-CD1 3.78Å; L1244-F1311 HydrophobicContact CD2-CD2 4.08Å; L1244-F1311 HydrophobicContact CD2-CE1 4.22Å; L1244-F1311 HydrophobicContact CD2-CE2 4.47Å; L1244-F1311 HydrophobicContact CD2-CG 3.71Å; L1244-F1311 HydrophobicContact CG-CD1 4.4Å; L1244-F1311 HydrophobicContact CG-CD2 3.86Å; L1244-F1311 HydrophobicContact CG-CE2 4.07Å; L1244-F1311 HydrophobicContact CG-CG 4.03Å; L1244-F1311 HydrophobicContact CG-CZ 4.44Å; A1245-F1311 HydrophobicContact CB-CD2 4.07Å; A1245-F1311 VanDerWaalsContact CB-O 3.23Å; A1245-F1311 WeakPolarHBondContact CB-O 3.42Å; V1248-F1311 HydrophobicContact CB-CE2 3.9Å; V1248-F1311 HydrophobicContact CB-CZ 4.24Å; V1248-F1311 HydrophobicContact CG1-CE2 4.33Å; V1248-F1311 HydrophobicContact CG1-CZ 4.27Å; V1248-F1311 HydrophobicContact CG2-CE2 3.79Å; V1248-F1311 HydrophobicContact CG2-CZ 3.94Å; C1309-F1311 PolarHBondContact O-N 2.96Å; F1311-L1315 HydrophobicContact CE2-CD1 3.68Å; F1311-L1315 HydrophobicContact CZ-CD1 3.89Å
1312N91Very high91.3Very high30 Ų3051.3 Ų51.316%0.1632%0.323CS..  trans-146.5100.5175.1-174.6-15.9000111.1A1245 C1309 D1310 T1314 L1315A1245-N1312 HydrophobicContact CB-CB 4.19Å; A1245-N1312 PolarHBondContact O-ND2 2.92Å; C1309-N1312 CarbonylContact O-C 3.44Å; C1309-N1312 VanDerWaalsContact O-C 3.23Å; C1309-N1312 PolarHBondContact O-N 3.43Å; D1310-N1312 PolarHBondContact O-N 3.34Å; N1312-T1314 PolarHBondContact O-N 3.22Å; N1312-T1314 WeakPolarHBondContact OD1-CB 3.39Å; N1312-T1314 PolarHBondContact OD1-N 2.73Å; N1312-T1314 PolarHBondContact OD1-OG1 2.71Å; N1312-L1315 HydrophobicContact CB-CD1 3.86Å; N1312-L1315 HydrophobicContact CB-CG 3.99Å; N1312-L1315 WeakPolarHBondContact O-CB 3.38Å; N1312-L1315 PolarHBondContact O-N 3.44Å
1313P85.1Confident90.9Very high126 Ų12656.4 Ų56.482%0.81835%0.35SS*.THydrogen-bonded Turntrans-67.9-9-175.528.5-35.9000114.2L1315P1313-L1315 VanDerWaalsContact C-N 3.32Å
1314T87.3Confident90.7Very high110 Ų11057.6 Ų57.668%0.67536%0.357SS*.THydrogen-bonded Turntrans-80.7-14.7174.769.10000112.9N1312N1312-T1314 PolarHBondContact O-N 3.22Å; N1312-T1314 WeakPolarHBondContact OD1-CB 3.39Å; N1312-T1314 PolarHBondContact OD1-N 2.73Å; N1312-T1314 PolarHBondContact OD1-OG1 2.71Å
1315L89.3Confident90.6Very high19 Ų1960.1 Ų60.110%0.09937%0.374CS..SBendtrans-82.7136.4177.9-63.3179.1000110.9V1248 L1250 L1268 C1309 F1311 N1312 P1313V1248-L1315 HydrophobicContact CB-CD1 4.01Å; V1248-L1315 HydrophobicContact CG1-CD1 3.52Å; L1250-L1315 HydrophobicContact CB-CD2 4.33Å; L1268-L1315 HydrophobicContact CD2-CB 3.98Å; L1268-L1315 HydrophobicContact CD2-CD1 4.48Å; L1268-L1315 HydrophobicContact CD2-CD2 4.31Å; L1268-L1315 HydrophobicContact CD2-CG 4.49Å; C1309-L1315 HydrophobicContact CB-CB 3.82Å; F1311-L1315 HydrophobicContact CE2-CD1 3.68Å; F1311-L1315 HydrophobicContact CZ-CD1 3.89Å; N1312-L1315 HydrophobicContact CB-CD1 3.86Å; N1312-L1315 HydrophobicContact CB-CG 3.99Å; N1312-L1315 WeakPolarHBondContact O-CB 3.38Å; N1312-L1315 PolarHBondContact O-N 3.44Å; P1313-L1315 VanDerWaalsContact C-N 3.32Å
1316V81.6Confident90.6Very high79 Ų7958.6 Ų58.648%0.47937%0.366SS..  trans-98113.5177.5-175.60000109.1L1268 Y1339L1268-V1316 WeakPolarHBondContact CD2-O 3.49Å; V1316-Y1339 HydrophobicContact CB-CE2 4.26Å; V1316-Y1339 HydrophobicContact CG1-CD2 4.27Å; V1316-Y1339 HydrophobicContact CG1-CE2 3.92Å; V1316-Y1339 WeakPolarHBondContact O-CD2 3.4Å; V1316-Y1339 VanDerWaalsContact O-CG 3.3Å
1317C87.2Confident90.6Very high31 Ų3158.4 Ų58.421%0.20937%0.365CS..  trans-93.9163.5174.1-950000110.3C1309C1309-C1317 HydrophobicContact CB-CB 4.31Å; C1309-C1317 WeakPolarHBondContact CB-SG 3.47Å; C1309-C1317 PolarHBondContact N-SG 2.97Å; C1309-C1317 WeakPolarHBondContact SG-CB 3.46Å; C1309-C1317 CovalentContact SG-SG 2.07Å; C1309-C1317 PolarHBondContact SG-SG 3.3Å
1318G86.5Confident90.6Very high31 Ų3154.6 Ų54.632%0.3235%0.348SS..SBendtrans89.2-149.2175.500000115S1338 Y1339G1318-S1338 WeakPolarHBondContact O-CA 3.38Å; G1318-Y1339 PolarHBondContact O-N 3.31Å
1319S89.4Confident90.4Very high101 Ų10159.3 Ų59.371%0.70636%0.357SS*.PPolyproline II helixtrans-84.8127.6-175.8-63.70000111.1I1337S1319-I1337 PolarHBondContact OG-O 3.08Å
1320P90.9Very high90.2Very high16 Ų1665 Ų6510%0.10438%0.383CS..PPolyproline II helixtrans-60.6165.4171.9-20.431.7000112.1P1270 T1324 A1336 I1337 Y1339P1270-P1320 HydrophobicContact CB-CG 4.09Å; P1320-T1324 HydrophobicContact CB-CG2 3.9Å; P1320-A1336 HydrophobicContact CG-CB 3.97Å; P1320-I1337 WeakPolarHBondContact CD-O 3.36Å; P1320-Y1339 HydrophobicContact CB-CD2 4.42Å; P1320-Y1339 HydrophobicContact CB-CE2 3.86Å; P1320-Y1339 HydrophobicContact CG-CD2 3.83Å; P1320-Y1339 HydrophobicContact CG-CE2 3.74Å; P1320-Y1339 HydrophobicContact CG-CG 4.43Å
1321A90.7Very high90.3Very high66 Ų6663.2 Ų63.255%0.54537%0.366SS..PPolyproline II helixtrans-54.7148.417200000111.1D1323 T1324A1321-D1323 PolarHBondContact O-N 3.01Å; A1321-T1324 PolarHBondContact N-OG1 3.48Å; A1321-T1324 WeakPolarHBondContact O-CB 3.42Å; A1321-T1324 PolarHBondContact O-N 3.07Å; A1321-T1324 VanDerWaalsContact O-N 3.13Å; A1321-T1324 PolarHBondContact O-OG1 3.07Å
1322P87.2Confident90.5Very high120 Ų12062.1 Ų62.178%0.77936%0.362SS*.THydrogen-bonded Turntrans-49.5140.5173.5-25.833.9000111T1324P1322-T1324 PolarHBondContact O-N 2.98Å
1323D89.2Confident90.6Very high109 Ų10966.8 Ų66.858%0.58340%0.397SS*.THydrogen-bonded Turntrans702.6-179.8-50.2-42.6000117A1321 P1325 K1335A1321-D1323 PolarHBondContact O-N 3.01Å; D1323-P1325 WeakPolarHBondContact O-CD 3.01Å; D1323-P1325 VanDerWaalsContact O-N 3.14Å; D1323-K1335 WeakPolarHBondContact OD1-CE 3.44Å; D1323-K1335 IonicContact OD1-NZ 2.71Å; D1323-K1335 PolarHBondContact OD1-NZ 3.08Å
1324T94.3Very high91.1Very high27 Ų2765.5 Ų65.517%0.16638%0.376CS..PPolyproline II helixtrans-54.4121.5169.1-54.40000109.8P1270 P1320 A1321 P1322 K1335 A1336P1270-T1324 HydrophobicContact CB-CG2 3.87Å; P1270-T1324 HydrophobicContact CG-CG2 4.31Å; P1320-T1324 HydrophobicContact CB-CG2 3.9Å; A1321-T1324 PolarHBondContact N-OG1 3.48Å; A1321-T1324 WeakPolarHBondContact O-CB 3.42Å; A1321-T1324 PolarHBondContact O-N 3.07Å; A1321-T1324 VanDerWaalsContact O-N 3.13Å; A1321-T1324 PolarHBondContact O-OG1 3.07Å; P1322-T1324 PolarHBondContact O-N 2.98Å; T1324-K1335 CarbonylContact O-C 3.59Å; T1324-K1335 WeakPolarHBondContact O-CA 3.27Å; T1324-A1336 HydrophobicContact CG2-CB 4.34Å; T1324-A1336 PolarHBondContact O-N 2.76Å
1325P96Very high91.5Very high53 Ų5366.2 Ų66.234%0.34437%0.37SS..BIsolated β-bridgetrans-72.3152178.529.9-36.2000110.7D1323 F1327 R1329D1323-P1325 WeakPolarHBondContact O-CD 3.01Å; D1323-P1325 VanDerWaalsContact O-N 3.14Å; P1325-F1327 PolarHBondContact O-N 2.61Å; P1325-R1329 HydrophobicContact CB-CG 4.43Å
1326C97.4Very high91.8Very high0 Ų066 Ų660%037%0.371CS..PPolyproline II helixtrans-56.6138.2168.8-176.90000110.3P1270 C1272 N1328 R1329 R1334P1270-C1326 CarbonylContact O-C 3.52Å; C1272-C1326 HydrophobicContact CB-CB 4.01Å; C1326-N1328 PolarHBondContact O-N 3.05Å; C1326-R1329 WeakPolarHBondContact O-CG 3.44Å; C1326-R1329 PolarHBondContact O-N 2.83Å; C1326-R1334 VanDerWaalsContact CB-O 3.32Å; C1326-R1334 WeakPolarHBondContact CB-O 3.49Å; C1326-R1334 PolarHBondContact N-O 2.7Å
1327F97.1Very high92.5Very high1 Ų167.4 Ų67.40%0.00438%0.375CS..SBendtrans-59.9-28.4179.787.1-83.3000112.6N1252 D1253 M1254 L1257 A1269 P1270 F1271 I1281 P1325 R1329 F1342N1252-F1327 WeakPolarHBondContact O-CA 3.47Å; N1252-F1327 WeakPolarHBondContact O-CB 3.36Å; D1253-F1327 WeakPolarHBondContact CA-O 3.47Å; M1254-F1327 HydrophobicContact SD-CD2 4.42Å; M1254-F1327 HydrophobicContact SD-CE2 3.67Å; M1254-F1327 HydrophobicContact SD-CZ 4.25Å; L1257-F1327 HydrophobicContact CB-CE2 4.13Å; L1257-F1327 HydrophobicContact CD2-CE2 3.75Å; L1257-F1327 HydrophobicContact CD2-CZ 4.03Å; L1257-F1327 HydrophobicContact CG-CE2 4.47Å; A1269-F1327 HydrophobicContact CB-CB 4.19Å; A1269-F1327 HydrophobicContact CB-CD1 3.57Å; A1269-F1327 HydrophobicContact CB-CD2 4.17Å; A1269-F1327 HydrophobicContact CB-CE1 3.9Å; A1269-F1327 HydrophobicContact CB-CE2 4.48Å; A1269-F1327 HydrophobicContact CB-CG 3.71Å; A1269-F1327 HydrophobicContact CB-CZ 4.35Å; P1270-F1327 HydrophobicContact CG-CB 4.13Å; P1270-F1327 WeakPolarHBondContact O-CD1 3.31Å; P1270-F1327 PolarHBondContact O-N 3.18Å; F1271-F1327 HydrophobicContact CB-CD1 4.46Å; F1271-F1327 HydrophobicContact CD2-CD1 4.44Å; F1271-F1327 HydrophobicContact CD2-CE1 4.06Å; I1281-F1327 HydrophobicContact CD1-CE1 3.45Å; I1281-F1327 VanDerWaalsContact CD1-CE1 3.45Å; I1281-F1327 HydrophobicContact CD1-CZ 3.49Å; I1281-F1327 VanDerWaalsContact CD1-CZ 3.49Å; I1281-F1327 HydrophobicContact CG1-CE1 4.23Å; I1281-F1327 HydrophobicContact CG1-CZ 3.77Å; I1281-F1327 HydrophobicContact CG2-CZ 3.94Å; P1325-F1327 PolarHBondContact O-N 2.61Å; F1327-R1329 PolarHBondContact O-N 2.85Å; F1327-F1342 HydrophobicContact CE1-CD2 4.26Å; F1327-F1342 AromaticContact CE1-CE2 3.68Å; F1327-F1342 HydrophobicContact CE1-CE2 3.68Å; F1327-F1342 AromaticContact CE1-CZ 3.9Å; F1327-F1342 HydrophobicContact CE1-CZ 3.9Å; F1327-F1342 HydrophobicContact CZ-CD2 4.41Å; F1327-F1342 HydrophobicContact CZ-CE2 4.21Å; F1327-F1342 HydrophobicContact CZ-CZ 4.36Å
1328N95.6Very high92.9Very high1 Ų166.4 Ų66.41%0.00537%0.368CS..  trans-7546.6174.4-169.418.6000113.2M1254 I1281 C1326 Q1330 Y1331 C1332M1254-N1328 HydrophobicContact CG-CB 4.49Å; M1254-N1328 VanDerWaalsContact CG-OD1 3.26Å; M1254-N1328 WeakPolarHBondContact CG-OD1 3.36Å; M1254-N1328 HydrophobicContact SD-CB 4.26Å; I1281-N1328 HydrophobicContact CD1-CB 4.13Å; I1281-N1328 HydrophobicContact CG1-CB 3.92Å; C1326-N1328 PolarHBondContact O-N 3.05Å; N1328-Q1330 PolarHBondContact O-N 3.29Å; N1328-Q1330 VanDerWaalsContact O-N 3.14Å; N1328-Y1331 PolarHBondContact O-N 2.91Å; N1328-Y1331 VanDerWaalsContact O-N 3.09Å; N1328-Y1331 VanDerWaalsContact OD1-CD2 3.31Å; N1328-Y1331 WeakPolarHBondContact OD1-CD2 3.42Å; N1328-C1332 HydrophobicContact CB-CB 4.31Å; N1328-C1332 WeakPolarHBondContact O-CA 3.39Å; N1328-C1332 VanDerWaalsContact O-CB 3.27Å; N1328-C1332 WeakPolarHBondContact O-CB 3.43Å; N1328-C1332 PolarHBondContact O-N 2.85Å
1329R90.4Very high93.4Very high138 Ų13866.4 Ų66.452%0.52136%0.358SS..THydrogen-bonded Turntrans-59.6-28.8-171.4-59.1179.3-170.6177.72.6113.6P1325 C1326 F1327 Y1331 C1332P1325-R1329 HydrophobicContact CB-CG 4.43Å; C1326-R1329 WeakPolarHBondContact O-CG 3.44Å; C1326-R1329 PolarHBondContact O-N 2.83Å; F1327-R1329 PolarHBondContact O-N 2.85Å; R1329-Y1331 PolarHBondContact O-N 2.8Å; R1329-C1332 WeakPolarHBondContact CA-O 3.41Å
1330Q88.1Confident93.8Very high129 Ų12961.6 Ų61.660%0.60333%0.325SS*.THydrogen-bonded Turntrans-63.6-31.3179.5-173.4174.93.600112.2N1328N1328-Q1330 PolarHBondContact O-N 3.29Å; N1328-Q1330 VanDerWaalsContact O-N 3.14Å
1331Y90.8Very high94.1Very high107 Ų10761 Ų6142%0.4232%0.32SS..THydrogen-bonded Turntrans-124.9-5.6-174.7-54.9-69.1000113.7V1280 E1284 N1328 R1329V1280-Y1331 HydrophobicContact CG1-CD2 3.81Å; V1280-Y1331 HydrophobicContact CG1-CG 3.83Å; E1284-Y1331 HydrophobicContact CB-CE2 4.25Å; E1284-Y1331 HydrophobicContact CG-CD2 4.18Å; E1284-Y1331 HydrophobicContact CG-CE2 3.65Å; E1284-Y1331 PolarHBondContact OE2-OH 2.87Å; N1328-Y1331 PolarHBondContact O-N 2.91Å; N1328-Y1331 VanDerWaalsContact O-N 3.09Å; N1328-Y1331 VanDerWaalsContact OD1-CD2 3.31Å; N1328-Y1331 WeakPolarHBondContact OD1-CD2 3.42Å; R1329-Y1331 PolarHBondContact O-N 2.8Å
1332C95.1Very high94.5Very high10 Ų1057.9 Ų57.97%0.06830%0.295CS..  trans-139126-175.2-1740000111.4C1272 C1277 N1328 R1329 R1334C1272-C1332 VanDerWaalsContact SG-SG 3.68Å; C1277-C1332 VanDerWaalsContact SG-SG 3.68Å; N1328-C1332 HydrophobicContact CB-CB 4.31Å; N1328-C1332 WeakPolarHBondContact O-CA 3.39Å; N1328-C1332 VanDerWaalsContact O-CB 3.27Å; N1328-C1332 WeakPolarHBondContact O-CB 3.43Å; N1328-C1332 PolarHBondContact O-N 2.85Å; R1329-C1332 WeakPolarHBondContact CA-O 3.41Å; C1332-R1334 PolarHBondContact SG-NE 2.9Å; C1332-R1334 VanDerWaalsContact SG-NE 3.38Å
1333S92.5Very high94.9Very high128 Ų12852.1 Ų52.190%0.89526%0.258SS*.  trans-98.42.8177.556.50000114
1334R96.4Very high95Very high100 Ų10048.8 Ų48.838%0.37724%0.237SC..SBendtrans-74.5156.6-179-70.3174.4-75.6-125.7-4.1112.1C1272 D1274 C1326 C1332C1272-R1334 HydrophobicContact CB-CB 3.82Å; D1274-R1334 VanDerWaalsContact CG-NH2 3.28Å; D1274-R1334 IonicContact OD1-CZ 2.67Å; D1274-R1334 IonicContact OD1-NH1 3.27Å; D1274-R1334 PolarHBondContact OD1-NH1 2.83Å; D1274-R1334 VanDerWaalsContact OD1-NH1 3.13Å; D1274-R1334 IonicContact OD1-NH2 2.77Å; D1274-R1334 PolarHBondContact OD1-NH2 3.01Å; D1274-R1334 IonicContact OD2-CZ 3.37Å; D1274-R1334 IonicContact OD2-NH1 2.89Å; D1274-R1334 PolarHBondContact OD2-NH1 3.27Å; D1274-R1334 IonicContact OD2-NH2 3.38Å; C1326-R1334 VanDerWaalsContact CB-O 3.32Å; C1326-R1334 WeakPolarHBondContact CB-O 3.49Å; C1326-R1334 PolarHBondContact N-O 2.7Å; C1332-R1334 PolarHBondContact SG-NE 2.9Å; C1332-R1334 VanDerWaalsContact SG-NE 3.38Å
1335K95.8Very high94.8Very high125 Ų12548.3 Ų48.354%0.54323%0.234SC..BIsolated β-bridgetrans-76.1144.8171.4-62.2174.4-177.4-177.80110.2C1272 D1323 T1324C1272-K1335 VanDerWaalsContact CB-O 3.26Å; C1272-K1335 WeakPolarHBondContact CB-O 3.05Å; D1323-K1335 WeakPolarHBondContact OD1-CE 3.44Å; D1323-K1335 IonicContact OD1-NZ 2.71Å; D1323-K1335 PolarHBondContact OD1-NZ 3.08Å; T1324-K1335 CarbonylContact O-C 3.59Å; T1324-K1335 WeakPolarHBondContact O-CA 3.27Å
1336A96.3Very high94.1Very high14 Ų1447.4 Ų47.412%0.11623%0.225CC..PPolyproline II helixtrans-70.7141.7172.700000110.4P1270 F1271 P1320 T1324P1270-A1336 HydrophobicContact CB-CB 3.71Å; F1271-A1336 CarbonylContact O-C 3.58Å; F1271-A1336 WeakPolarHBondContact O-CA 3.13Å; P1320-A1336 HydrophobicContact CG-CB 3.97Å; T1324-A1336 HydrophobicContact CG2-CB 4.34Å; T1324-A1336 PolarHBondContact O-N 2.76Å
1337I94.4Very high94Very high109 Ų10949.8 Ų49.856%0.55924%0.236SC*.  trans-109-32179.9-57.1179.2000110.2F1271 C1272 S1319 P1320F1271-I1337 PolarHBondContact O-N 2.92Å; C1272-I1337 WeakPolarHBondContact O-CD1 3.36Å; S1319-I1337 PolarHBondContact OG-O 3.08Å; P1320-I1337 WeakPolarHBondContact CD-O 3.36Å
1338S95.8Very high93.8Very high9 Ų952.4 Ų52.46%0.06325%0.248CC..EExtended strand (participates in β ladder)trans-144.9156.6179.867.40000111.9F1271 C1273 G1318 T1340F1271-S1338 PolarHBondContact N-O 3.37Å; F1271-S1338 PolarHBondContact O-N 2.74Å; C1273-S1338 PolarHBondContact SG-OG 3.18Å; G1318-S1338 WeakPolarHBondContact O-CA 3.38Å; S1338-T1340 PolarHBondContact OG-OG1 2.77Å
1339Y97.5Very high93.7Very high31 Ų3155.2 Ų55.212%0.12226%0.261CS..EExtended strand (participates in β ladder)trans-75.9119.9156.1-76.4-79.7000109L1250 L1268 A1269 P1270 P1306 V1316 G1318 P1320L1250-Y1339 HydrophobicContact CD1-CD1 4.16Å; L1250-Y1339 HydrophobicContact CD1-CE1 3.8Å; L1268-Y1339 HydrophobicContact CG-CD1 4.44Å; A1269-Y1339 CarbonylContact O-C 3.51Å; A1269-Y1339 WeakPolarHBondContact O-CA 3.23Å; P1270-Y1339 HydrophobicContact CB-CD1 4.28Å; P1270-Y1339 HydrophobicContact CB-CE1 3.95Å; P1270-Y1339 HydrophobicContact CG-CE1 4.23Å; P1306-Y1339 WeakPolarHBondContact CD-O 3.43Å; V1316-Y1339 HydrophobicContact CB-CE2 4.26Å; V1316-Y1339 HydrophobicContact CG1-CD2 4.27Å; V1316-Y1339 HydrophobicContact CG1-CE2 3.92Å; V1316-Y1339 WeakPolarHBondContact O-CD2 3.4Å; V1316-Y1339 VanDerWaalsContact O-CG 3.3Å; G1318-Y1339 PolarHBondContact O-N 3.31Å; P1320-Y1339 HydrophobicContact CB-CD2 4.42Å; P1320-Y1339 HydrophobicContact CB-CE2 3.86Å; P1320-Y1339 HydrophobicContact CG-CD2 3.83Å; P1320-Y1339 HydrophobicContact CG-CE2 3.74Å; P1320-Y1339 HydrophobicContact CG-CG 4.43Å
1340T98.1Very high93.9Very high0 Ų050.4 Ų50.40%025%0.246CC..EExtended strand (participates in β ladder)trans-117.5135.8-177.9-60.30000109T1034 A1269 F1271 I1305 S1338 F1342T1034-T1340 HydrophobicContact CG2-CG2 4.18Å; A1269-T1340 PolarHBondContact N-O 2.84Å; A1269-T1340 PolarHBondContact O-N 2.77Å; F1271-T1340 HydrophobicContact CD1-CG2 4.18Å; I1305-T1340 HydrophobicContact CG1-CG2 4.42Å; S1338-T1340 PolarHBondContact OG-OG1 2.77Å; T1340-F1342 HydrophobicContact CG2-CD2 4.18Å; T1340-F1342 HydrophobicContact CG2-CE2 3.63Å; T1340-F1342 HydrophobicContact CG2-CZ 3.9Å; T1340-F1342 WeakPolarHBondContact O-CD2 3.49Å
1341L98.1Very high94.3Very high3 Ų345.4 Ų45.42%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-83.4128.6175.7-169.771.8000109.3V1029 V1248 L1266 A1267 L1268 L1303 C1304 P1306V1029-L1341 HydrophobicContact CG1-CD2 4.35Å; V1248-L1341 HydrophobicContact CG1-CD1 3.73Å; L1266-L1341 HydrophobicContact CB-CD1 4.09Å; L1266-L1341 HydrophobicContact CD1-CD2 4.18Å; A1267-L1341 CarbonylContact O-C 3.6Å; A1267-L1341 WeakPolarHBondContact O-CA 3.48Å; L1268-L1341 HydrophobicContact CB-CD1 4.32Å; L1268-L1341 HydrophobicContact CD1-CB 4.32Å; L1268-L1341 HydrophobicContact CD1-CD1 4.35Å; L1303-L1341 HydrophobicContact CB-CD2 4.41Å; L1303-L1341 HydrophobicContact CD1-CD2 4.01Å; L1303-L1341 HydrophobicContact CD1-CG 4.05Å; L1303-L1341 PolarHBondContact N-O 2.84Å; C1304-L1341 PolarHBondContact O-N 3.35Å; P1306-L1341 HydrophobicContact CG-CB 3.9Å
1342F97.7Very high94.5Very high1 Ų141.3 Ų41.30%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-119.3150.4178.5-72.7-91.3000110.6L1257 A1267 A1269 F1271 I1281 A1300 K1301 F1327 T1340L1257-F1342 HydrophobicContact CD1-CB 4.15Å; A1267-F1342 PolarHBondContact N-O 3.18Å; A1267-F1342 PolarHBondContact O-N 2.96Å; A1269-F1342 HydrophobicContact CB-CD2 4.07Å; A1269-F1342 HydrophobicContact CB-CE2 4.25Å; F1271-F1342 HydrophobicContact CB-CE2 3.98Å; F1271-F1342 HydrophobicContact CB-CZ 4.18Å; F1271-F1342 HydrophobicContact CD1-CE2 4.3Å; F1271-F1342 AromaticContact CD1-CZ 3.75Å; F1271-F1342 HydrophobicContact CD1-CZ 3.75Å; F1271-F1342 HydrophobicContact CD2-CE2 4.48Å; F1271-F1342 AromaticContact CD2-CZ 3.93Å; F1271-F1342 HydrophobicContact CD2-CZ 3.93Å; F1271-F1342 HydrophobicContact CE1-CZ 4.07Å; F1271-F1342 HydrophobicContact CE2-CZ 4.29Å; F1271-F1342 HydrophobicContact CG-CE2 4.02Å; F1271-F1342 AromaticContact CG-CZ 3.69Å; F1271-F1342 HydrophobicContact CG-CZ 3.69Å; F1271-F1342 HydrophobicContact CZ-CZ 4.36Å; I1281-F1342 HydrophobicContact CD1-CE1 4.13Å; I1281-F1342 HydrophobicContact CD1-CZ 4.1Å; I1281-F1342 HydrophobicContact CG2-CD1 4.14Å; I1281-F1342 HydrophobicContact CG2-CE1 4.11Å; A1300-F1342 HydrophobicContact CB-CB 4.35Å; K1301-F1342 VanDerWaalsContact O-CA 3.28Å; K1301-F1342 WeakPolarHBondContact O-CA 3.23Å; K1301-F1342 WeakPolarHBondContact O-CD1 2.92Å; F1327-F1342 HydrophobicContact CE1-CD2 4.26Å; F1327-F1342 AromaticContact CE1-CE2 3.68Å; F1327-F1342 HydrophobicContact CE1-CE2 3.68Å; F1327-F1342 AromaticContact CE1-CZ 3.9Å; F1327-F1342 HydrophobicContact CE1-CZ 3.9Å; F1327-F1342 HydrophobicContact CZ-CD2 4.41Å; F1327-F1342 HydrophobicContact CZ-CE2 4.21Å; F1327-F1342 HydrophobicContact CZ-CZ 4.36Å; T1340-F1342 HydrophobicContact CG2-CD2 4.18Å; T1340-F1342 HydrophobicContact CG2-CE2 3.63Å; T1340-F1342 HydrophobicContact CG2-CZ 3.9Å; T1340-F1342 WeakPolarHBondContact O-CD2 3.49Å
1343G95.6Very high94.5Very high0 Ų043.6 Ų43.60%022%0.221CC..EExtended strand (participates in β ladder)trans-178172.3174.600000113.1A1300 K1301 S1345A1300-G1343 WeakPolarHBondContact CA-O 3.4Å; K1301-G1343 PolarHBondContact N-O 3.29Å; K1301-G1343 PolarHBondContact O-N 3.08Å; K1301-G1343 VanDerWaalsContact O-N 3.11Å; G1343-S1345 PolarHBondContact O-N 3.3Å
1344R92.2Very high94.6Very high38 Ų3837.1 Ų37.114%0.14317%0.169CC..  trans-74.6118.7167.8-66.2-178.2-175.2140.37.7107.9R1057 A1058 L1261 D1262 V1289 M1298R1057-R1344 CarbonylContact C-O 3.39Å; R1057-R1344 VanDerWaalsContact CA-O 3.22Å; R1057-R1344 WeakPolarHBondContact CA-O 3.22Å; R1057-R1344 WeakPolarHBondContact CB-O 3.24Å; R1057-R1344 HydrophobicContact CG-CB 4.12Å; A1058-R1344 PolarHBondContact N-O 2.75Å; L1261-R1344 HydrophobicContact CD2-CG 4.29Å; L1261-R1344 PolarHBondContact O-NH1 3Å; D1262-R1344 IonicContact OD1-NH2 3.09Å; D1262-R1344 PolarHBondContact OD1-NH2 2.83Å; V1289-R1344 VanDerWaalsContact CG1-CZ 3.47Å; M1298-R1344 WeakPolarHBondContact O-CG 3.37Å; M1298-R1344 PolarHBondContact O-NE 2.98Å
1345S89Confident94.5Very high17 Ų1731.8 Ų31.812%0.11915%0.152CC..BIsolated β-bridgetrans-103.7150.8-178.3-167.40000111.7A1058 M1298 G1343A1058-S1345 VanDerWaalsContact O-CA 3.25Å; A1058-S1345 WeakPolarHBondContact O-CA 3.35Å; A1058-S1345 PolarHBondContact O-OG 2.79Å; M1298-S1345 WeakPolarHBondContact CE-O 3.27Å; G1343-S1345 PolarHBondContact O-N 3.3Å
1346Y83.1Confident94.3Very high35 Ų3523.4 Ų23.414%0.13712%0.116CC..  trans-64.20176.4-86.1-91.7000114.4F847 L985 R986 I1052 N1055 R1057 A1058 I1059 M1107F847-Y1346 VanDerWaalsContact CE1-OH 3.26Å; F847-Y1346 WeakPolarHBondContact CE1-OH 3.36Å; L985-Y1346 HydrophobicContact CD1-CD1 3.98Å; L985-Y1346 HydrophobicContact CD1-CE1 3.71Å; R986-Y1346 PolarHBondContact NH1-OXT 3.14Å; R986-Y1346 PolarHBondContact NH2-O 3.03Å; R986-Y1346 PolarHBondContact NH2-OXT 2.5Å; I1052-Y1346 HydrophobicContact CB-CE2 4.25Å; I1052-Y1346 HydrophobicContact CG1-CE2 3.84Å; N1055-Y1346 PolarHBondContact ND2-OH 2.77Å; N1055-Y1346 PolarHBondContact OD1-OH 3.01Å; R1057-Y1346 HydrophobicContact CB-CD2 3.91Å; R1057-Y1346 HydrophobicContact CB-CE2 3.62Å; A1058-Y1346 WeakPolarHBondContact O-CD2 3.36Å; A1058-Y1346 PolarHBondContact O-N 3.4Å; A1058-Y1346 VanDerWaalsContact O-N 3.09Å; I1059-Y1346 HydrophobicContact CB-CD2 3.8Å; I1059-Y1346 HydrophobicContact CB-CE2 4.47Å; I1059-Y1346 HydrophobicContact CB-CG 4.47Å; I1059-Y1346 HydrophobicContact CD1-CD2 4.02Å; I1059-Y1346 HydrophobicContact CD1-CG 4.02Å; I1059-Y1346 HydrophobicContact CG1-CD2 4.22Å; I1059-Y1346 HydrophobicContact CG1-CG 4.42Å; M1107-Y1346 HydrophobicContact CE-CE2 4.18Å; M1107-Y1346 HydrophobicContact SD-CE1 4.15Å; M1107-Y1346 HydrophobicContact SD-CE2 4.38Å; M1107-Y1346 PolarHBondContact SD-OH 3.16Å

Retrieved 1,346 of 1,346 residues in 280.3 ms (Link to these results)

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