A0A077Z1W5_TRITR Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB , UniProt , Accession A0A077Z1W5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 746 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
1M29.8Very low56.9Low224 Ų224106.6 Ų106.6100%1.10355%0.545SS*.  091.70-152.9-174.1-53.500105.2V3M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.34Å; M1-V3 VanDerWaalsContact O-N 3.07Å
2F29.2Very low59Low215 Ų215101.2 Ų101.294%0.94354%0.535SS*.  trans-70.1103.4168.9-77.8-87.3000104.5D4F2-D4 PolarHBondContact O-N 3.16Å; F2-D4 VanDerWaalsContact O-N 3.11Å
3V30.5Very low61.1Low110 Ų11093.9 Ų93.967%0.66750%0.497SS*.  trans-66.4109.4166.2-169.50000102.9M1 L5M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.34Å; M1-V3 VanDerWaalsContact O-N 3.07Å; V3-L5 PolarHBondContact O-N 2.94Å
4D38.3Very low63.3Low162 Ų16289.4 Ų89.487%0.86647%0.473SS*.  trans-58.393.2167.1-111.1-25.7000105.4F2 C6F2-D4 PolarHBondContact O-N 3.16Å; F2-D4 VanDerWaalsContact O-N 3.11Å; D4-C6 PolarHBondContact O-N 3.21Å; D4-C6 VanDerWaalsContact O-N 3.08Å
5L47.5Very low65.1Low115 Ų11590.2 Ų90.260%0.60249%0.485SS*.  trans-63.2111.4169.1-88136.9000104.6V3 K7V3-L5 PolarHBondContact O-N 2.94Å; L5-K7 PolarHBondContact O-N 2.9Å; L5-K7 VanDerWaalsContact O-N 3.14Å
6C59.2Low66.8Low30 Ų3088.6 Ų88.620%0.20347%0.474CS..  trans-46.2124.6171.8174.50000108D4 F8 A9 D22D4-C6 PolarHBondContact O-N 3.21Å; D4-C6 VanDerWaalsContact O-N 3.08Å; C6-F8 PolarHBondContact O-N 2.91Å; C6-A9 WeakPolarHBondContact O-CA 3.1Å; C6-A9 VanDerWaalsContact O-CB 3.22Å; C6-A9 WeakPolarHBondContact O-CB 3.46Å; C6-A9 PolarHBondContact O-N 3.05Å; C6-D22 PolarHBondContact SG-OD1 3.03Å
7K72.7Confident68.3Low99 Ų9983.4 Ų83.443%0.4345%0.446SS..Hα-helixtrans-58.4-20.9-173.7-67.4-154.1-171.8175.10113.5L5 A9 E10 L28L5-K7 PolarHBondContact O-N 2.9Å; L5-K7 VanDerWaalsContact O-N 3.14Å; K7-A9 VanDerWaalsContact C-N 3.3Å; K7-A9 PolarHBondContact O-N 2.92Å; K7-E10 WeakPolarHBondContact O-CB 3.4Å; K7-E10 PolarHBondContact O-N 2.95Å; K7-L28 HydrophobicContact CD-CD2 3.28Å; K7-L28 HydrophobicContact CG-CD2 4.03Å
8F79.5Confident69.6Low0 Ų079.1 Ų79.10%043%0.425CS..Hα-helixtrans-63.6-34.2170.8-73.8-91.6000113C6 E10 M11 V13 V21 W26 P29 I37 L62C6-F8 PolarHBondContact O-N 2.91Å; F8-E10 VanDerWaalsContact C-N 3.28Å; F8-E10 PolarHBondContact O-N 2.9Å; F8-M11 HydrophobicContact CB-CE 4.16Å; F8-M11 HydrophobicContact CD1-CE 3.29Å; F8-M11 HydrophobicContact CE1-CE 3.73Å; F8-M11 HydrophobicContact CG-CE 3.78Å; F8-M11 PolarHBondContact O-N 2.94Å; F8-M11 VanDerWaalsContact O-N 3.15Å; F8-V13 HydrophobicContact CB-CB 4.05Å; F8-V13 HydrophobicContact CB-CG1 4.4Å; F8-V13 HydrophobicContact CB-CG2 4.22Å; F8-V13 HydrophobicContact CD1-CG2 4.28Å; F8-V13 VanDerWaalsContact O-CB 3.22Å; F8-V13 WeakPolarHBondContact O-CB 3.3Å; F8-V13 WeakPolarHBondContact O-CG2 3.32Å; F8-V13 PolarHBondContact O-N 2.84Å; F8-V13 VanDerWaalsContact O-N 3.14Å; F8-V21 HydrophobicContact CD1-CG1 4.48Å; F8-V21 HydrophobicContact CD2-CG1 3.68Å; F8-V21 HydrophobicContact CE1-CG1 4.3Å; F8-V21 HydrophobicContact CE2-CG1 3.45Å; F8-V21 VanDerWaalsContact CE2-CG1 3.45Å; F8-V21 HydrophobicContact CG-CG1 4.21Å; F8-V21 HydrophobicContact CZ-CG1 3.79Å; F8-W26 HydrophobicContact CE1-CE3 4.43Å; F8-W26 HydrophobicContact CE2-CB 4.26Å; F8-W26 HydrophobicContact CE2-CE3 4.47Å; F8-W26 AromaticContact CZ-CE3 3.77Å; F8-W26 HydrophobicContact CZ-CE3 3.77Å; F8-W26 HydrophobicContact CZ-CZ3 4.45Å; F8-P29 HydrophobicContact CE1-CB 4Å; F8-P29 HydrophobicContact CE2-CB 4.16Å; F8-P29 HydrophobicContact CZ-CB 3.71Å; F8-I37 HydrophobicContact CD1-CD1 4.21Å; F8-I37 HydrophobicContact CE1-CD1 4Å; F8-L62 HydrophobicContact CD1-CD1 4.04Å; F8-L62 HydrophobicContact CE1-CD1 3.67Å
9A80.3Confident70.7Confident44 Ų4480.5 Ų80.536%0.36443%0.427SS..Hα-helixtrans-64.1-33.5175.500000112.2C6 K7 M11 G12C6-A9 WeakPolarHBondContact O-CA 3.1Å; C6-A9 VanDerWaalsContact O-CB 3.22Å; C6-A9 WeakPolarHBondContact O-CB 3.46Å; C6-A9 PolarHBondContact O-N 3.05Å; K7-A9 VanDerWaalsContact C-N 3.3Å; K7-A9 PolarHBondContact O-N 2.92Å; A9-M11 PolarHBondContact O-N 3.41Å; A9-G12 PolarHBondContact O-N 3.18Å
10E79.6Confident71.8Confident146 Ų14676.6 Ų76.668%0.68241%0.406SS*.Hα-helixtrans-64.6-28.1175.8-60.4-175.6156.400112.2K7 F8 G12K7-E10 WeakPolarHBondContact O-CB 3.4Å; K7-E10 PolarHBondContact O-N 2.95Å; F8-E10 VanDerWaalsContact C-N 3.28Å; F8-E10 PolarHBondContact O-N 2.9Å; E10-G12 VanDerWaalsContact C-N 3.26Å; E10-G12 PolarHBondContact O-N 2.97Å
11M79.4Confident72.6Confident28 Ų2873 Ų7314%0.13839%0.387CS..THydrogen-bonded Turntrans-831.6175-58.5-173.8-71.800113.5F8 A9 P29 A34 I37 P38 L41F8-M11 HydrophobicContact CB-CE 4.16Å; F8-M11 HydrophobicContact CD1-CE 3.29Å; F8-M11 HydrophobicContact CE1-CE 3.73Å; F8-M11 HydrophobicContact CG-CE 3.78Å; F8-M11 PolarHBondContact O-N 2.94Å; F8-M11 VanDerWaalsContact O-N 3.15Å; A9-M11 PolarHBondContact O-N 3.41Å; M11-P29 HydrophobicContact CE-CB 3.62Å; M11-P29 HydrophobicContact CE-CG 3.79Å; M11-P29 HydrophobicContact SD-CB 4.24Å; M11-P29 HydrophobicContact SD-CG 4.18Å; M11-A34 HydrophobicContact SD-CB 4.45Å; M11-I37 HydrophobicContact CB-CG2 4.3Å; M11-I37 HydrophobicContact CE-CD1 3.91Å; M11-I37 HydrophobicContact SD-CB 4.45Å; M11-I37 HydrophobicContact SD-CD1 4.46Å; M11-P38 HydrophobicContact CB-CG 4.28Å; M11-P38 HydrophobicContact CG-CG 4.46Å; M11-L41 WeakPolarHBondContact O-CD1 3.33Å
12G81.5Confident75.3Confident41 Ų4166 Ų6642%0.42336%0.355SS..THydrogen-bonded Turntrans85.414.2-177.400000114.9A9 E10 Q66A9-G12 PolarHBondContact O-N 3.18Å; E10-G12 VanDerWaalsContact C-N 3.26Å; E10-G12 PolarHBondContact O-N 2.97Å; G12-Q66 PolarHBondContact O-NE2 3.2Å; G12-Q66 PolarHBondContact O-OE1 3.06Å
13V87.2Confident78.1Confident7 Ų760.2 Ų60.24%0.04233%0.33CS..  trans-73.9135.2175-1790000110.6F8 I17 I37F8-V13 HydrophobicContact CB-CB 4.05Å; F8-V13 HydrophobicContact CB-CG1 4.4Å; F8-V13 HydrophobicContact CB-CG2 4.22Å; F8-V13 HydrophobicContact CD1-CG2 4.28Å; F8-V13 VanDerWaalsContact O-CB 3.22Å; F8-V13 WeakPolarHBondContact O-CB 3.3Å; F8-V13 WeakPolarHBondContact O-CG2 3.32Å; F8-V13 PolarHBondContact O-N 2.84Å; F8-V13 VanDerWaalsContact O-N 3.14Å; V13-I17 HydrophobicContact CG1-CB 3.7Å; V13-I17 HydrophobicContact CG1-CG2 3.55Å; V13-I37 HydrophobicContact CG2-CG2 3.78Å
14L91.1Very high80.7Confident31 Ų3157 Ų5716%0.16231%0.309CS..  trans-59.6145179.2-74.8172.8000113E16 I17 G18 Q66 W69 E70L14-E16 PolarHBondContact O-N 3.02Å; L14-I17 HydrophobicContact CB-CG1 4.49Å; L14-I17 PolarHBondContact O-N 2.83Å; L14-G18 PolarHBondContact O-N 3.43Å; L14-Q66 HydrophobicContact CD1-CB 4.29Å; L14-Q66 HydrophobicContact CD1-CG 3.68Å; L14-Q66 HydrophobicContact CG-CG 3.86Å; L14-W69 HydrophobicContact CD1-CE3 3.6Å; L14-W69 HydrophobicContact CD1-CH2 4.49Å; L14-W69 HydrophobicContact CD1-CZ3 3.46Å; L14-W69 VanDerWaalsContact CD1-CZ3 3.46Å; L14-E70 HydrophobicContact CD1-CG 4.5Å
15P90.1Very high82.7Confident101 Ų10156.1 Ų56.166%0.65630%0.304SS*.Hα-helixtrans-56.2-34.1177.7-25.734.7000114.3I17 G18 K19P15-I17 VanDerWaalsContact C-N 3.35Å; P15-G18 PolarHBondContact O-N 2.77Å; P15-K19 WeakPolarHBondContact O-CB 3.47Å; P15-K19 PolarHBondContact O-N 3.28Å
16E92.7Very high84.3Confident64 Ų6453.6 Ų53.630%0.29929%0.286SS..Hα-helixtrans-62.9-42.4177-64.987.9161.200111.6L14 A20 Y311 L312L14-E16 PolarHBondContact O-N 3.02Å; E16-A20 PolarHBondContact O-N 2.88Å; E16-Y311 WeakPolarHBondContact O-CB 3.38Å; E16-L312 HydrophobicContact CB-CD2 3.86Å
17I93.3Very high84.9Confident0 Ų057.6 Ų57.60%031%0.31CS..Hα-helixtrans-72.4-43.1176-62.3179.7000109.8V13 L14 P15 K19 A20 V21 L62 L65 Q66 L312V13-I17 HydrophobicContact CG1-CB 3.7Å; V13-I17 HydrophobicContact CG1-CG2 3.55Å; L14-I17 HydrophobicContact CB-CG1 4.49Å; L14-I17 PolarHBondContact O-N 2.83Å; P15-I17 VanDerWaalsContact C-N 3.35Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 2.86Å; I17-A20 WeakPolarHBondContact O-CB 3.5Å; I17-A20 PolarHBondContact O-N 2.92Å; I17-V21 HydrophobicContact CG2-CG2 4.23Å; I17-V21 WeakPolarHBondContact O-CG2 3.21Å; I17-V21 PolarHBondContact O-N 2.97Å; I17-L62 HydrophobicContact CG2-CB 4.37Å; I17-L62 HydrophobicContact CG2-CD2 3.33Å; I17-L62 HydrophobicContact CG2-CG 4.38Å; I17-L65 HydrophobicContact CD1-CB 4.27Å; I17-Q66 HydrophobicContact CD1-CB 3.76Å; I17-L312 HydrophobicContact CD1-CD1 4.21Å; I17-L312 HydrophobicContact CD1-CD2 4.42Å; I17-L312 HydrophobicContact CG1-CD1 4.12Å; I17-L312 HydrophobicContact CG1-CD2 3.91Å; I17-L312 HydrophobicContact CG1-CG 4.18Å
18G90.4Very high85.2Confident6 Ų657.3 Ų57.36%0.06231%0.313CS..Hα-helixtrans-53.5-44.8175.100000112.1L14 P15 A20 V21 D22L14-G18 PolarHBondContact O-N 3.43Å; P15-G18 PolarHBondContact O-N 2.77Å; G18-A20 VanDerWaalsContact C-N 3.34Å; G18-A20 PolarHBondContact O-N 2.91Å; G18-V21 WeakPolarHBondContact O-CB 3.23Å; G18-V21 PolarHBondContact O-N 3.03Å; G18-V21 VanDerWaalsContact O-N 3.14Å; G18-D22 VanDerWaalsContact O-CG 3.25Å; G18-D22 PolarHBondContact O-N 2.9Å
19K91Very high85.4Confident106 Ų10658.5 Ų58.546%0.46132%0.32SS..Hα-helixtrans-60.5-39.8175.2-172.8-175175.6-168.30113P15 I17 V21 E23 Y311P15-K19 WeakPolarHBondContact O-CB 3.47Å; P15-K19 PolarHBondContact O-N 3.28Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 2.86Å; K19-V21 VanDerWaalsContact C-N 3.33Å; K19-E23 PolarHBondContact O-N 3.43Å; K19-Y311 HydrophobicContact CB-CD2 3.92Å; K19-Y311 HydrophobicContact CB-CE2 4.25Å; K19-Y311 HydrophobicContact CD-CD1 4.1Å; K19-Y311 HydrophobicContact CD-CD2 3.73Å; K19-Y311 HydrophobicContact CD-CE1 4.07Å; K19-Y311 HydrophobicContact CD-CE2 3.68Å; K19-Y311 HydrophobicContact CD-CG 3.95Å; K19-Y311 VanDerWaalsContact CE-CZ 3.46Å; K19-Y311 HydrophobicContact CG-CD2 3.78Å; K19-Y311 HydrophobicContact CG-CE2 3.64Å; K19-Y311 HydrophobicContact CG-CG 4.48Å; K19-Y311 VanDerWaalsContact NZ-CE1 3.29Å
20A92Very high85.7Confident3 Ų359 Ų593%0.02532%0.319CS..Hα-helixtrans-67.6-37.2176.900000111.7E16 I17 G18 M24 Y311E16-A20 PolarHBondContact O-N 2.88Å; I17-A20 WeakPolarHBondContact O-CB 3.5Å; I17-A20 PolarHBondContact O-N 2.92Å; G18-A20 VanDerWaalsContact C-N 3.34Å; G18-A20 PolarHBondContact O-N 2.91Å; A20-M24 WeakPolarHBondContact O-CG 3.29Å; A20-Y311 HydrophobicContact CB-CD2 3.98Å; A20-Y311 HydrophobicContact CB-CE2 4.47Å
21V90.1Very high85.9Confident0 Ų057.7 Ų57.70%032%0.317CS..Hα-helixtrans-69.4-40.8177.7171.60000111.3F8 I17 G18 K19 E23 M24 W26 L62 F308F8-V21 HydrophobicContact CD1-CG1 4.48Å; F8-V21 HydrophobicContact CD2-CG1 3.68Å; F8-V21 HydrophobicContact CE1-CG1 4.3Å; F8-V21 HydrophobicContact CE2-CG1 3.45Å; F8-V21 VanDerWaalsContact CE2-CG1 3.45Å; F8-V21 HydrophobicContact CG-CG1 4.21Å; F8-V21 HydrophobicContact CZ-CG1 3.79Å; I17-V21 HydrophobicContact CG2-CG2 4.23Å; I17-V21 WeakPolarHBondContact O-CG2 3.21Å; I17-V21 PolarHBondContact O-N 2.97Å; G18-V21 WeakPolarHBondContact O-CB 3.23Å; G18-V21 PolarHBondContact O-N 3.03Å; G18-V21 VanDerWaalsContact O-N 3.14Å; K19-V21 VanDerWaalsContact C-N 3.33Å; V21-E23 VanDerWaalsContact C-N 3.32Å; V21-E23 PolarHBondContact O-N 2.61Å; V21-M24 WeakPolarHBondContact O-CA 3.42Å; V21-M24 WeakPolarHBondContact O-CB 3.48Å; V21-M24 PolarHBondContact O-N 3.32Å; V21-W26 HydrophobicContact CG1-CB 3.46Å; V21-W26 VanDerWaalsContact CG1-CB 3.46Å; V21-W26 HydrophobicContact CG1-CD2 4.15Å; V21-W26 HydrophobicContact CG1-CE3 3.75Å; V21-W26 HydrophobicContact CG1-CG 4.1Å; V21-W26 PolarHBondContact O-N 3.16Å; V21-L62 HydrophobicContact CG2-CD1 4.26Å; V21-L62 HydrophobicContact CG2-CD2 3.64Å; V21-F308 HydrophobicContact CG2-CD1 4.5Å
22D86.4Confident86.2Confident79 Ų7956.4 Ų56.442%0.42231%0.31SS..Hα-helixtrans-60.8-39175.9-69.7-20.8000111.9C6 G18 M24 D25C6-D22 PolarHBondContact SG-OD1 3.03Å; G18-D22 VanDerWaalsContact O-CG 3.25Å; G18-D22 PolarHBondContact O-N 2.9Å; D22-M24 PolarHBondContact O-N 2.74Å; D22-D25 PolarHBondContact O-N 3.41Å
23E88Confident86.7Confident93 Ų9354.6 Ų54.644%0.43529%0.291SS..THydrogen-bonded Turntrans-67.5-15174.7-73.8-176.9177.700114.2K19 V21 D25 K310 Y311K19-E23 PolarHBondContact O-N 3.43Å; V21-E23 VanDerWaalsContact C-N 3.32Å; V21-E23 PolarHBondContact O-N 2.61Å; E23-D25 VanDerWaalsContact C-N 3.26Å; E23-K310 IonicContact OE1-NZ 3.96Å; E23-K310 IonicContact OE2-NZ 3.98Å; E23-K310 PolarHBondContact OE2-NZ 2.67Å; E23-Y311 VanDerWaalsContact CD-OH 3.24Å; E23-Y311 PolarHBondContact OE1-OH 3.16Å; E23-Y311 PolarHBondContact OE2-OH 3.23Å
24M85.2Confident86.6Confident43 Ų4356.1 Ų56.121%0.21230%0.304CS..THydrogen-bonded Turntrans-91.18.6172.9-63.3175.954.100112A20 V21 D22 W26 K307 F308A20-M24 WeakPolarHBondContact O-CG 3.29Å; V21-M24 WeakPolarHBondContact O-CA 3.42Å; V21-M24 WeakPolarHBondContact O-CB 3.48Å; V21-M24 PolarHBondContact O-N 3.32Å; D22-M24 PolarHBondContact O-N 2.74Å; M24-W26 HydrophobicContact CB-CG 4.39Å; M24-W26 HydrophobicContact CE-CZ2 3.93Å; M24-W26 PolarHBondContact O-N 2.9Å; M24-K307 HydrophobicContact CE-CD 4.11Å; M24-K307 HydrophobicContact SD-CB 3.84Å; M24-K307 HydrophobicContact SD-CD 4.1Å; M24-F308 HydrophobicContact CE-CD1 4.43Å; M24-F308 HydrophobicContact CE-CE1 3.65Å; M24-F308 HydrophobicContact CE-CZ 4.37Å; M24-F308 HydrophobicContact SD-CD1 3.86Å; M24-F308 HydrophobicContact SD-CE1 3.65Å
25D80.1Confident86.4Confident142 Ų14260 Ų6076%0.75932%0.321SS*.THydrogen-bonded Turntrans6027.3-176.2-58.9-51.9000113.4D22 E23 T27D22-D25 PolarHBondContact O-N 3.41Å; E23-D25 VanDerWaalsContact C-N 3.26Å; D25-T27 PolarHBondContact O-N 2.97Å; D25-T27 VanDerWaalsContact O-N 3.09Å
26W80.7Confident86.4Confident63 Ų6355.1 Ų55.124%0.23929%0.29CS..  trans-83.881176.2-73.218.7000110.2F8 V21 M24 L28 L62 F308F8-W26 HydrophobicContact CE1-CE3 4.43Å; F8-W26 HydrophobicContact CE2-CB 4.26Å; F8-W26 HydrophobicContact CE2-CE3 4.47Å; F8-W26 AromaticContact CZ-CE3 3.77Å; F8-W26 HydrophobicContact CZ-CE3 3.77Å; F8-W26 HydrophobicContact CZ-CZ3 4.45Å; V21-W26 HydrophobicContact CG1-CB 3.46Å; V21-W26 VanDerWaalsContact CG1-CB 3.46Å; V21-W26 HydrophobicContact CG1-CD2 4.15Å; V21-W26 HydrophobicContact CG1-CE3 3.75Å; V21-W26 HydrophobicContact CG1-CG 4.1Å; V21-W26 PolarHBondContact O-N 3.16Å; M24-W26 HydrophobicContact CB-CG 4.39Å; M24-W26 HydrophobicContact CE-CZ2 3.93Å; M24-W26 PolarHBondContact O-N 2.9Å; W26-L28 VanDerWaalsContact C-N 3.31Å; W26-L28 PolarHBondContact O-N 2.82Å; W26-L62 HydrophobicContact CZ3-CD1 4.31Å; W26-F308 AromaticContact CH2-CE1 3.92Å; W26-F308 HydrophobicContact CH2-CE1 3.92Å; W26-F308 AromaticContact CH2-CZ 3.8Å; W26-F308 HydrophobicContact CH2-CZ 3.8Å; W26-F308 HydrophobicContact CZ2-CE1 4.45Å; W26-F308 HydrophobicContact CZ2-CZ 4.49Å; W26-F308 HydrophobicContact CZ3-CE1 4.18Å; W26-F308 HydrophobicContact CZ3-CZ 4.32Å
27T72.1Confident86.2Confident113 Ų11352.1 Ų52.169%0.69328%0.276SS*.  trans-67.3-31.4178.953.60000113.1D25D25-T27 PolarHBondContact O-N 2.97Å; D25-T27 VanDerWaalsContact O-N 3.09Å
28L78.3Confident85.7Confident94 Ų9454.7 Ų54.749%0.49229%0.293SS..SBendtrans-134140.7-179.5-62.9178.3000110.3K7 W26K7-L28 HydrophobicContact CD-CD2 3.28Å; K7-L28 HydrophobicContact CG-CD2 4.03Å; W26-L28 VanDerWaalsContact C-N 3.31Å; W26-L28 PolarHBondContact O-N 2.82Å
29P84.7Confident85.5Confident24 Ų2456.4 Ų56.416%0.15630%0.3CS..  trans-63.5142.7166.829.2-34.3000109.9F8 M11 Q33 A34F8-P29 HydrophobicContact CE1-CB 4Å; F8-P29 HydrophobicContact CE2-CB 4.16Å; F8-P29 HydrophobicContact CZ-CB 3.71Å; M11-P29 HydrophobicContact CE-CB 3.62Å; M11-P29 HydrophobicContact CE-CG 3.79Å; M11-P29 HydrophobicContact SD-CB 4.24Å; M11-P29 HydrophobicContact SD-CG 4.18Å; P29-Q33 HydrophobicContact CB-CB 3.99Å; P29-A34 HydrophobicContact CB-CB 4.41Å; P29-A34 HydrophobicContact CG-CB 4.31Å
30T85.2Confident85.4Confident54 Ų5451.4 Ų51.433%0.33128%0.278SS..  trans-66.1159165.456.80000110.3V32 Q33 A34 S54T30-V32 PolarHBondContact O-N 3.27Å; T30-V32 VanDerWaalsContact O-N 3.16Å; T30-Q33 WeakPolarHBondContact O-CA 3.44Å; T30-Q33 WeakPolarHBondContact O-CB 3.47Å; T30-Q33 PolarHBondContact O-N 2.93Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.47Å; T30-Q33 PolarHBondContact OG1-OE1 2.92Å; T30-A34 PolarHBondContact O-N 3.12Å; T30-S54 VanDerWaalsContact CB-O 3.24Å; T30-S54 WeakPolarHBondContact CB-O 3.37Å; T30-S54 WeakPolarHBondContact CG2-O 3.4Å; T30-S54 PolarHBondContact OG1-O 3.41Å
31D84.3Confident85Confident120 Ų12053.4 Ų53.464%0.64229%0.288SS*.Hα-helixtrans-54.2-39.7-179.1-59-27.1000112.3Q33 A34 E35 L448D31-Q33 VanDerWaalsContact C-N 3.31Å; D31-Q33 PolarHBondContact O-N 3.07Å; D31-A34 PolarHBondContact O-N 3.25Å; D31-E35 WeakPolarHBondContact O-CG 3.47Å; D31-E35 PolarHBondContact O-N 2.7Å; D31-L448 HydrophobicContact CB-CD1 3.73Å; D31-L448 HydrophobicContact CB-CD2 4.17Å
32V86.8Confident84.5Confident1 Ų156.6 Ų56.61%0.00632%0.321CS..Hα-helixtrans-67.4-3417975.50000112T30 A36 M48 A50 S54 K56 A59 V446 L448T30-V32 PolarHBondContact O-N 3.27Å; T30-V32 VanDerWaalsContact O-N 3.16Å; V32-A36 WeakPolarHBondContact O-CB 3.5Å; V32-A36 PolarHBondContact O-N 2.92Å; V32-M48 HydrophobicContact CG2-CB 4.42Å; V32-M48 HydrophobicContact CG2-SD 4.06Å; V32-A50 HydrophobicContact CB-CB 4.27Å; V32-A50 HydrophobicContact CG2-CB 4.01Å; V32-S54 WeakPolarHBondContact CG1-O 3.24Å; V32-K56 HydrophobicContact CG2-CG 4.34Å; V32-A59 HydrophobicContact CG1-CB 4.29Å; V32-V446 HydrophobicContact CG2-CG1 4.24Å; V32-L448 VanDerWaalsContact CA-CD1 3.42Å; V32-L448 HydrophobicContact CB-CD1 3.54Å; V32-L448 HydrophobicContact CG2-CD1 4.14Å
33Q90.3Very high84.3Confident2 Ų254.5 Ų54.51%0.00932%0.319CS..Hα-helixtrans-73.2-42.7176.3-70.3163.1-10.600110.7P29 T30 D31 E35 I37 G55 A59P29-Q33 HydrophobicContact CB-CB 3.99Å; T30-Q33 WeakPolarHBondContact O-CA 3.44Å; T30-Q33 WeakPolarHBondContact O-CB 3.47Å; T30-Q33 PolarHBondContact O-N 2.93Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.47Å; T30-Q33 PolarHBondContact OG1-OE1 2.92Å; D31-Q33 VanDerWaalsContact C-N 3.31Å; D31-Q33 PolarHBondContact O-N 3.07Å; Q33-E35 VanDerWaalsContact C-N 3.33Å; Q33-E35 PolarHBondContact O-N 3.39Å; Q33-I37 HydrophobicContact CB-CD1 3.84Å; Q33-I37 HydrophobicContact CB-CG1 4.49Å; Q33-I37 HydrophobicContact CG-CD1 4.43Å; Q33-I37 VanDerWaalsContact O-CB 3.24Å; Q33-I37 WeakPolarHBondContact O-CB 3.29Å; Q33-I37 WeakPolarHBondContact O-CD1 3.28Å; Q33-I37 WeakPolarHBondContact O-CG1 3.28Å; Q33-I37 PolarHBondContact O-N 2.9Å; Q33-G55 PolarHBondContact NE2-O 2.99Å; Q33-G55 VanDerWaalsContact NE2-O 3.11Å; Q33-A59 HydrophobicContact CB-CB 4.43Å; Q33-A59 HydrophobicContact CG-CB 3.85Å
34A86.3Confident83.6Confident40 Ų4051 Ų5133%0.33131%0.308SS..Hα-helixtrans-59.9-43.4179.200000112.2M11 P29 T30 D31 P38M11-A34 HydrophobicContact SD-CB 4.45Å; P29-A34 HydrophobicContact CB-CB 4.41Å; P29-A34 HydrophobicContact CG-CB 4.31Å; T30-A34 PolarHBondContact O-N 3.12Å; D31-A34 PolarHBondContact O-N 3.25Å; A34-P38 WeakPolarHBondContact O-CD 3.24Å; A34-P38 WeakPolarHBondContact O-CG 3.35Å
35E86Confident83.5Confident111 Ų11149 Ų4952%0.51930%0.298SS..Hα-helixtrans-76.4-47.9178.1-70-70.7170.200112.1D31 Q33 L39 V446D31-E35 WeakPolarHBondContact O-CG 3.47Å; D31-E35 PolarHBondContact O-N 2.7Å; Q33-E35 VanDerWaalsContact C-N 3.33Å; Q33-E35 PolarHBondContact O-N 3.39Å; E35-L39 VanDerWaalsContact O-CD1 3.26Å; E35-L39 WeakPolarHBondContact O-CD1 3.31Å; E35-L39 WeakPolarHBondContact O-CG 3.05Å; E35-V446 HydrophobicContact CB-CG1 3.62Å; E35-V446 HydrophobicContact CB-CG2 4.05Å; E35-V446 HydrophobicContact CG-CG1 4.36Å
36A90.4Very high83.8Confident0 Ų042.3 Ų42.30%026%0.262CS..Hα-helixtrans-81.1-32.9-169.200000114.9V32 L39 I40 V46 M48 A59 V446V32-A36 WeakPolarHBondContact O-CB 3.5Å; V32-A36 PolarHBondContact O-N 2.92Å; A36-L39 PolarHBondContact O-N 3.48Å; A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 2.87Å; A36-V46 HydrophobicContact CB-CG1 4.29Å; A36-M48 HydrophobicContact CB-CG 4.12Å; A36-M48 HydrophobicContact CB-SD 3.24Å; A36-M48 WeakPolarHBondContact CB-SD 3.44Å; A36-A59 HydrophobicContact CB-CB 4.15Å; A36-V446 HydrophobicContact CB-CG2 4.28Å
37I89.8Confident84.1Confident0 Ų039.3 Ų39.30%025%0.251CS..Hα-helixtrans-59.7-50.1-175-69.2170.6000111.6F8 M11 V13 Q33 L39 I40 L41 A59 L62 P63F8-I37 HydrophobicContact CD1-CD1 4.21Å; F8-I37 HydrophobicContact CE1-CD1 4Å; M11-I37 HydrophobicContact CB-CG2 4.3Å; M11-I37 HydrophobicContact CE-CD1 3.91Å; M11-I37 HydrophobicContact SD-CB 4.45Å; M11-I37 HydrophobicContact SD-CD1 4.46Å; V13-I37 HydrophobicContact CG2-CG2 3.78Å; Q33-I37 HydrophobicContact CB-CD1 3.84Å; Q33-I37 HydrophobicContact CB-CG1 4.49Å; Q33-I37 HydrophobicContact CG-CD1 4.43Å; Q33-I37 VanDerWaalsContact O-CB 3.24Å; Q33-I37 WeakPolarHBondContact O-CB 3.29Å; Q33-I37 WeakPolarHBondContact O-CD1 3.28Å; Q33-I37 WeakPolarHBondContact O-CG1 3.28Å; Q33-I37 PolarHBondContact O-N 2.9Å; I37-L39 VanDerWaalsContact C-N 3.3Å; I37-L39 PolarHBondContact O-N 2.82Å; I37-I40 PolarHBondContact O-N 2.83Å; I37-L41 HydrophobicContact CG2-CD1 3.98Å; I37-L41 HydrophobicContact CG2-CG 4.44Å; I37-L41 WeakPolarHBondContact O-CG 3.21Å; I37-L41 PolarHBondContact O-N 2.98Å; I37-A59 WeakPolarHBondContact CG1-O 3.44Å; I37-L62 HydrophobicContact CD1-CD1 3.91Å; I37-P63 HydrophobicContact CG1-CG 4.45Å; I37-P63 HydrophobicContact CG2-CB 4.41Å
38P82.7Confident84.8Confident54 Ų5433.9 Ų33.935%0.35122%0.218SC..Hα-helixtrans-61.4-37.6177.9-23.334.9000113M11 A34 L41 G42M11-P38 HydrophobicContact CB-CG 4.28Å; M11-P38 HydrophobicContact CG-CG 4.46Å; A34-P38 WeakPolarHBondContact O-CD 3.24Å; A34-P38 WeakPolarHBondContact O-CG 3.35Å; P38-L41 PolarHBondContact O-N 3.41Å; P38-G42 PolarHBondContact O-N 2.76Å
39L84.3Confident85Confident43 Ų4329.5 Ų29.523%0.22520%0.195CC..Hα-helixtrans-64.9-42.1179.3-60.3177000111.6E35 A36 I37 G42 G43 G44 V46 Q444 V446E35-L39 VanDerWaalsContact O-CD1 3.26Å; E35-L39 WeakPolarHBondContact O-CD1 3.31Å; E35-L39 WeakPolarHBondContact O-CG 3.05Å; A36-L39 PolarHBondContact O-N 3.48Å; I37-L39 VanDerWaalsContact C-N 3.3Å; I37-L39 PolarHBondContact O-N 2.82Å; L39-G42 PolarHBondContact O-N 2.92Å; L39-G43 PolarHBondContact O-N 2.82Å; L39-G44 PolarHBondContact O-N 3.41Å; L39-V46 HydrophobicContact CB-CG2 3.75Å; L39-Q444 HydrophobicContact CD1-CB 4.04Å; L39-V446 HydrophobicContact CD1-CG2 3.64Å
40I89.3Confident84.8Confident0 Ų028.4 Ų28.40%019%0.188CC..Hα-helixtrans-69.2-43.9176.4-62.5171.5000110.7A36 I37 G42 G43 V46 F60 P63 V64 Q401 I403A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 2.87Å; I37-I40 PolarHBondContact O-N 2.83Å; I40-G42 PolarHBondContact O-N 3.04Å; I40-G43 PolarHBondContact O-N 3.2Å; I40-V46 HydrophobicContact CG1-CB 4.11Å; I40-V46 HydrophobicContact CG1-CG2 3.63Å; I40-F60 HydrophobicContact CD1-CB 3.97Å; I40-P63 HydrophobicContact CB-CB 4.02Å; I40-P63 HydrophobicContact CB-CG 3.76Å; I40-P63 HydrophobicContact CD1-CG 3.98Å; I40-P63 HydrophobicContact CG1-CG 4.47Å; I40-P63 HydrophobicContact CG2-CB 3.76Å; I40-P63 HydrophobicContact CG2-CG 3.63Å; I40-V64 HydrophobicContact CG2-CG2 4.33Å; I40-Q401 PolarHBondContact O-NE2 3.48Å; I40-I403 HydrophobicContact CD1-CD1 4.19Å; I40-I403 HydrophobicContact CD1-CG1 4.1Å; I40-I403 HydrophobicContact CD1-CG2 4.32Å; I40-I403 HydrophobicContact CG1-CD1 4.37Å; I40-I403 HydrophobicContact CG1-CG1 4.16Å; I40-I403 HydrophobicContact CG2-CD1 4.03Å
41L83.9Confident84.2Confident45 Ų4530.4 Ų30.424%0.23619%0.194CC..Hα-helixtrans-60.6-33.1174.9-71.1175.9000112.5M11 I37 P38 G43 P63 Q66 I67M11-L41 WeakPolarHBondContact O-CD1 3.33Å; I37-L41 HydrophobicContact CG2-CD1 3.98Å; I37-L41 HydrophobicContact CG2-CG 4.44Å; I37-L41 WeakPolarHBondContact O-CG 3.21Å; I37-L41 PolarHBondContact O-N 2.98Å; P38-L41 PolarHBondContact O-N 3.41Å; L41-G43 PolarHBondContact O-N 2.86Å; L41-P63 HydrophobicContact CD2-CB 3.61Å; L41-P63 HydrophobicContact CG-CB 3.71Å; L41-Q66 HydrophobicContact CD2-CG 4.32Å; L41-I67 HydrophobicContact CD2-CD1 4.18Å; L41-I67 HydrophobicContact CD2-CG1 4.16Å
42G80.6Confident83.6Confident67 Ų6728.3 Ų28.369%0.69119%0.185SC*.THydrogen-bonded Turntrans-69-8.9174.100000114.9P38 L39 I40P38-G42 PolarHBondContact O-N 2.76Å; L39-G42 PolarHBondContact O-N 2.92Å; I40-G42 PolarHBondContact O-N 3.04Å
43G80.6Confident82.8Confident36 Ų3631.6 Ų31.637%0.37122%0.219SC..THydrogen-bonded Turntrans84.99.917900000115L39 I40 L41L39-G43 PolarHBondContact O-N 2.82Å; I40-G43 PolarHBondContact O-N 3.2Å; L41-G43 PolarHBondContact O-N 2.86Å
44G74.2Confident82.1Confident20 Ų2033 Ų3321%0.20623%0.229CC..  trans-77.3149.9177.200000112.7L39 Q401L39-G44 PolarHBondContact O-N 3.41Å; G44-Q401 WeakPolarHBondContact O-CG 3.25Å; G44-Q401 PolarHBondContact O-NE2 3.18Å
45D82.4Confident82.1Confident1 Ų131.9 Ų31.91%0.00522%0.221CC..  trans-70.4140.5165.1-73.33.3000108.7R399 Q401 M402 M440 H441 P443 Q444D45-R399 VanDerWaalsContact CG-NH2 3.29Å; D45-R399 IonicContact OD1-CZ 2.63Å; D45-R399 IonicContact OD1-NH1 3.5Å; D45-R399 PolarHBondContact OD1-NH1 3.06Å; D45-R399 IonicContact OD1-NH2 3.06Å; D45-R399 PolarHBondContact OD1-NH2 3.04Å; D45-R399 VanDerWaalsContact OD1-NH2 3.09Å; D45-R399 IonicContact OD2-CZ 3.72Å; D45-R399 IonicContact OD2-NH1 3.72Å; D45-R399 IonicContact OD2-NH2 2.74Å; D45-R399 PolarHBondContact OD2-NH2 3.05Å; D45-Q401 WeakPolarHBondContact OD1-CA 3.45Å; D45-M402 CarbonylContact C-O 3.53Å; D45-M402 WeakPolarHBondContact CA-O 3.38Å; D45-M402 WeakPolarHBondContact CB-O 3.31Å; D45-M402 PolarHBondContact OD1-N 3.08Å; D45-M440 HydrophobicContact CB-CB 4.19Å; D45-M440 HydrophobicContact CB-CE 4.06Å; D45-M440 WeakPolarHBondContact OD2-CA 3.49Å; D45-H441 PolarHBondContact OD2-N 3.15Å; D45-P443 HydrophobicContact CB-CB 4.14Å; D45-P443 CarbonylContact O-C 3.54Å; D45-P443 VanDerWaalsContact O-CA 3.24Å; D45-P443 WeakPolarHBondContact O-CA 3.31Å; D45-Q444 PolarHBondContact O-N 3.34Å
46V86.1Confident82.3Confident0 Ų027 Ų270%020%0.199CC..EExtended strand (participates in β ladder)trans-130.3129.3-173.8-175.80000110.9A36 L39 I40 M48 M402 I403 V404 M440 V446A36-V46 HydrophobicContact CB-CG1 4.29Å; L39-V46 HydrophobicContact CB-CG2 3.75Å; I40-V46 HydrophobicContact CG1-CB 4.11Å; I40-V46 HydrophobicContact CG1-CG2 3.63Å; V46-M48 HydrophobicContact CG1-CG 3.65Å; V46-M48 HydrophobicContact CG1-SD 4.36Å; V46-M402 PolarHBondContact N-O 2.87Å; V46-I403 CarbonylContact O-C 3.52Å; V46-I403 VanDerWaalsContact O-CA 3.32Å; V46-I403 WeakPolarHBondContact O-CA 3.47Å; V46-V404 PolarHBondContact O-N 3.21Å; V46-M440 WeakPolarHBondContact O-CE 3.33Å; V46-V446 HydrophobicContact CG1-CG2 4.09Å
47L87.2Confident82.5Confident0 Ų028.4 Ų28.40%021%0.207CC..EExtended strand (participates in β ladder)trans-114.7110.3177.8-176.161.3000108.7V404 L409 A418 V419 M440 P443 Q444 W445 V446L47-V404 CarbonylContact C-O 3.56Å; L47-V404 WeakPolarHBondContact CA-O 3.41Å; L47-V404 HydrophobicContact CD1-CB 3.53Å; L47-V404 HydrophobicContact CD1-CG1 3.5Å; L47-L409 HydrophobicContact CD1-CD1 3.4Å; L47-L409 HydrophobicContact CD2-CD1 3.52Å; L47-L409 HydrophobicContact CD2-CD2 4.12Å; L47-L409 HydrophobicContact CD2-CG 4.29Å; L47-L409 HydrophobicContact CG-CD1 3.28Å; L47-L409 HydrophobicContact CG-CD2 3.88Å; L47-L409 HydrophobicContact CG-CG 4.21Å; L47-A418 HydrophobicContact CD1-CB 3.74Å; L47-A418 HydrophobicContact CD2-CB 3.73Å; L47-A418 HydrophobicContact CG-CB 4.38Å; L47-V419 HydrophobicContact CD2-CG2 4.15Å; L47-M440 HydrophobicContact CB-CE 4.14Å; L47-M440 HydrophobicContact CB-SD 4.43Å; L47-M440 HydrophobicContact CD1-SD 4.33Å; L47-P443 HydrophobicContact CB-CB 4.19Å; L47-Q444 PolarHBondContact N-O 3.32Å; L47-W445 HydrophobicContact CD2-CD2 4.02Å; L47-W445 HydrophobicContact CD2-CE3 4.2Å; L47-W445 HydrophobicContact CD2-CH2 3.87Å; L47-W445 HydrophobicContact CD2-CZ2 3.73Å; L47-W445 HydrophobicContact CD2-CZ3 4.12Å; L47-V446 PolarHBondContact O-N 2.81Å
48M87.3Confident82.6Confident0 Ų028.5 Ų28.50%021%0.208CC..EExtended strand (participates in β ladder)trans-109.5125.2-173.3-58.5-175.5-82.200111.7V32 A36 V46 A59 F60 I403 V404 C405 S406 V446V32-M48 HydrophobicContact CG2-CB 4.42Å; V32-M48 HydrophobicContact CG2-SD 4.06Å; A36-M48 HydrophobicContact CB-CG 4.12Å; A36-M48 HydrophobicContact CB-SD 3.24Å; A36-M48 WeakPolarHBondContact CB-SD 3.44Å; V46-M48 HydrophobicContact CG1-CG 3.65Å; V46-M48 HydrophobicContact CG1-SD 4.36Å; M48-A59 HydrophobicContact SD-CB 3.97Å; M48-F60 HydrophobicContact CE-CB 4.1Å; M48-F60 HydrophobicContact CE-CD1 4.27Å; M48-I403 HydrophobicContact CE-CG2 3.61Å; M48-V404 PolarHBondContact N-O 3.29Å; M48-C405 WeakPolarHBondContact CE-SG 3.23Å; M48-S406 PolarHBondContact O-N 2.9Å; M48-V446 CarbonylContact C-O 3.59Å; M48-V446 WeakPolarHBondContact CA-O 3.37Å; M48-V446 HydrophobicContact CG-CB 4.15Å
49A83.6Confident83.2Confident1 Ų126 Ų261%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-110.2112.8167.400000109.8S406 L409 V446 D447 L448A49-S406 WeakPolarHBondContact CA-O 3.5Å; A49-L409 HydrophobicContact CB-CB 3.25Å; A49-L409 HydrophobicContact CB-CD2 3.81Å; A49-L409 HydrophobicContact CB-CG 4.12Å; A49-V446 PolarHBondContact N-O 3.31Å; A49-D447 HydrophobicContact CB-CB 4.29Å; A49-D447 WeakPolarHBondContact CB-OD1 3.48Å; A49-L448 PolarHBondContact O-N 2.94Å
50A79.3Confident83.8Confident2 Ų223.9 Ų23.92%0.01718%0.181CC..  trans-155.2157171.900000110.4V32 S54 K56 S406V32-A50 HydrophobicContact CB-CB 4.27Å; V32-A50 HydrophobicContact CG2-CB 4.01Å; A50-S54 WeakPolarHBondContact CB-OG 3.2Å; A50-K56 HydrophobicContact CB-CD 4.09Å; A50-K56 HydrophobicContact CB-CG 4.02Å; A50-K56 PolarHBondContact O-NZ 3.42Å; A50-S406 PolarHBondContact N-O 3.34Å
51E72.5Confident84.2Confident96 Ų9623.9 Ų23.945%0.44918%0.181SC..  trans-62.4168.1-179-61.4-171.6158.800113G53 S54 K56 K449E51-G53 PolarHBondContact O-N 3.01Å; E51-S54 WeakPolarHBondContact O-CB 3.31Å; E51-S54 PolarHBondContact O-N 2.63Å; E51-S54 PolarHBondContact O-OG 3.49Å; E51-K56 PolarHBondContact O-NZ 3.36Å; E51-K449 HydrophobicContact CG-CG 4.4Å
52T71.2Confident84.8Confident76 Ų7621.8 Ų21.847%0.46617%0.17SC..THydrogen-bonded Turntrans-65.4135.4172.1-59.20000109.6S54T52-S54 VanDerWaalsContact C-N 3.29Å; T52-S54 PolarHBondContact O-N 2.78Å
53G71.3Confident85.5Confident70 Ų7018.6 Ų18.672%0.72214%0.137SC*.THydrogen-bonded Turntrans81.91.2-179.200000115.2E51 G55E51-G53 PolarHBondContact O-N 3.01Å; G53-G55 PolarHBondContact O-N 2.97Å
54S76Confident86.3Confident30 Ų3016.9 Ų16.921%0.2112%0.119CC..SBendtrans-69.7-7.9174.755.20000114.8T30 V32 A50 E51 T52 K56T30-S54 VanDerWaalsContact CB-O 3.24Å; T30-S54 WeakPolarHBondContact CB-O 3.37Å; T30-S54 WeakPolarHBondContact CG2-O 3.4Å; T30-S54 PolarHBondContact OG1-O 3.41Å; V32-S54 WeakPolarHBondContact CG1-O 3.24Å; A50-S54 WeakPolarHBondContact CB-OG 3.2Å; E51-S54 WeakPolarHBondContact O-CB 3.31Å; E51-S54 PolarHBondContact O-N 2.63Å; E51-S54 PolarHBondContact O-OG 3.49Å; T52-S54 VanDerWaalsContact C-N 3.29Å; T52-S54 PolarHBondContact O-N 2.78Å; S54-K56 WeakPolarHBondContact OG-CG 3.31Å
55G86.2Confident87.4Confident17 Ų1715.9 Ų15.918%0.17511%0.109CC..SBendtrans99.49.5179.200000115.9Q33 G53 T57 G58 A59Q33-G55 PolarHBondContact NE2-O 2.99Å; Q33-G55 VanDerWaalsContact NE2-O 3.11Å; G53-G55 PolarHBondContact O-N 2.97Å; G55-T57 VanDerWaalsContact C-N 3.31Å; G55-T57 PolarHBondContact O-N 2.94Å; G55-G58 WeakPolarHBondContact O-CA 3.36Å; G55-G58 PolarHBondContact O-N 3.28Å; G55-A59 PolarHBondContact O-N 2.86Å
56K90.2Very high88.1Confident10 Ų1016.4 Ų16.44%0.04311%0.112CC..Hα-helixtrans-46.8-46.6179.1-61.5-166.4-64.3-87.50114V32 A50 E51 S54 G58 A59 F60 C405V32-K56 HydrophobicContact CG2-CG 4.34Å; A50-K56 HydrophobicContact CB-CD 4.09Å; A50-K56 HydrophobicContact CB-CG 4.02Å; A50-K56 PolarHBondContact O-NZ 3.42Å; E51-K56 PolarHBondContact O-NZ 3.36Å; S54-K56 WeakPolarHBondContact OG-CG 3.31Å; K56-G58 VanDerWaalsContact C-N 3.31Å; K56-G58 PolarHBondContact O-N 2.78Å; K56-A59 WeakPolarHBondContact O-CA 3.39Å; K56-A59 VanDerWaalsContact O-CB 3.26Å; K56-A59 WeakPolarHBondContact O-CB 3.48Å; K56-A59 PolarHBondContact O-N 3.35Å; K56-F60 WeakPolarHBondContact O-CD1 3.43Å; K56-F60 PolarHBondContact O-N 3.08Å; K56-C405 HydrophobicContact CD-CB 4.27Å
57T93.1Very high88.5Confident29 Ų2916.9 Ų16.918%0.17811%0.114CC..Hα-helixtrans-58-42.5178.6-47.40000111.9G55 F60 C61 T301 Q304G55-T57 VanDerWaalsContact C-N 3.31Å; G55-T57 PolarHBondContact O-N 2.94Å; T57-F60 VanDerWaalsContact CA-CE1 3.49Å; T57-F60 HydrophobicContact CG2-CZ 4.18Å; T57-C61 WeakPolarHBondContact O-CB 3.47Å; T57-C61 PolarHBondContact O-N 3.49Å; T57-C61 PolarHBondContact O-SG 2.85Å; T57-T301 HydrophobicContact CG2-CG2 4.2Å; T57-Q304 HydrophobicContact CG2-CB 4.05Å; T57-Q304 HydrophobicContact CG2-CG 4.24Å
58G93.7Very high88.9Confident2 Ų217 Ų172%0.02111%0.114CC..Hα-helixtrans-66-39.1173.100000112.3G55 K56 F60 C61 L62G55-G58 WeakPolarHBondContact O-CA 3.36Å; G55-G58 PolarHBondContact O-N 3.28Å; K56-G58 VanDerWaalsContact C-N 3.31Å; K56-G58 PolarHBondContact O-N 2.78Å; G58-F60 VanDerWaalsContact C-N 3.3Å; G58-F60 PolarHBondContact O-N 2.86Å; G58-C61 PolarHBondContact O-N 2.82Å; G58-L62 WeakPolarHBondContact O-CB 3.18Å; G58-L62 WeakPolarHBondContact O-CD1 3.47Å; G58-L62 WeakPolarHBondContact O-CG 3.42Å; G58-L62 PolarHBondContact O-N 3.07Å; G58-L62 VanDerWaalsContact O-N 3.13Å
59A94.6Very high89.4Confident0 Ų017.4 Ų17.40%012%0.116CC..Hα-helixtrans-58.4-38.2-176.800000113V32 Q33 A36 I37 M48 G55 K56 P63V32-A59 HydrophobicContact CG1-CB 4.29Å; Q33-A59 HydrophobicContact CB-CB 4.43Å; Q33-A59 HydrophobicContact CG-CB 3.85Å; A36-A59 HydrophobicContact CB-CB 4.15Å; I37-A59 WeakPolarHBondContact CG1-O 3.44Å; M48-A59 HydrophobicContact SD-CB 3.97Å; G55-A59 PolarHBondContact O-N 2.86Å; K56-A59 WeakPolarHBondContact O-CA 3.39Å; K56-A59 VanDerWaalsContact O-CB 3.26Å; K56-A59 WeakPolarHBondContact O-CB 3.48Å; K56-A59 PolarHBondContact O-N 3.35Å; A59-P63 VanDerWaalsContact O-CD 3.26Å; A59-P63 WeakPolarHBondContact O-CD 3.34Å; A59-P63 VanDerWaalsContact O-CG 3.28Å; A59-P63 WeakPolarHBondContact O-CG 3.24Å
60F96.2Very high89.9Confident0 Ų020.4 Ų20.40%013%0.13CC..Hα-helixtrans-95-35.1173.971.6-101.7000114.3I40 M48 K56 T57 G58 L62 P63 V64 I290 T301 I367 D369 I403 C405I40-F60 HydrophobicContact CD1-CB 3.97Å; M48-F60 HydrophobicContact CE-CB 4.1Å; M48-F60 HydrophobicContact CE-CD1 4.27Å; K56-F60 WeakPolarHBondContact O-CD1 3.43Å; K56-F60 PolarHBondContact O-N 3.08Å; T57-F60 VanDerWaalsContact CA-CE1 3.49Å; T57-F60 HydrophobicContact CG2-CZ 4.18Å; G58-F60 VanDerWaalsContact C-N 3.3Å; G58-F60 PolarHBondContact O-N 2.86Å; F60-L62 PolarHBondContact O-N 3.19Å; F60-P63 WeakPolarHBondContact O-CD 3.43Å; F60-P63 WeakPolarHBondContact O-CG 3.26Å; F60-V64 VanDerWaalsContact O-CB 3.26Å; F60-V64 WeakPolarHBondContact O-CB 3.49Å; F60-V64 WeakPolarHBondContact O-CG2 3.35Å; F60-V64 PolarHBondContact O-N 2.8Å; F60-I290 HydrophobicContact CE2-CD1 4.05Å; F60-I290 HydrophobicContact CE2-CG1 4.39Å; F60-I290 HydrophobicContact CE2-CG2 4.39Å; F60-T301 HydrophobicContact CE2-CG2 4.33Å; F60-T301 HydrophobicContact CZ-CG2 4.15Å; F60-I367 HydrophobicContact CD2-CD1 3.72Å; F60-I367 HydrophobicContact CD2-CG2 4.05Å; F60-I367 HydrophobicContact CE2-CD1 4.34Å; F60-I367 HydrophobicContact CE2-CG2 4.16Å; F60-I367 HydrophobicContact CG-CD1 4.42Å; F60-I367 HydrophobicContact CG-CG2 4.27Å; F60-I367 HydrophobicContact CZ-CG2 4.46Å; F60-D369 HydrophobicContact CE1-CB 4.41Å; F60-D369 WeakPolarHBondContact CE1-OD2 3.23Å; F60-D369 HydrophobicContact CZ-CB 4.41Å; F60-I403 HydrophobicContact CB-CG2 3.98Å; F60-C405 WeakPolarHBondContact CD1-SG 3.4Å
61C97.4Very high90.5Very high0 Ų021.3 Ų21.30%014%0.135CC..Hα-helixtrans-65.5-42-176.1-73.70000112.7T57 G58 V64 L65 M305 F308T57-C61 WeakPolarHBondContact O-CB 3.47Å; T57-C61 PolarHBondContact O-N 3.49Å; T57-C61 PolarHBondContact O-SG 2.85Å; G58-C61 PolarHBondContact O-N 2.82Å; C61-V64 PolarHBondContact O-N 2.9Å; C61-L65 VanDerWaalsContact O-CB 3.29Å; C61-L65 WeakPolarHBondContact O-CB 3.38Å; C61-L65 WeakPolarHBondContact O-CG 3.47Å; C61-L65 PolarHBondContact O-N 3.28Å; C61-M305 HydrophobicContact CB-CE 3.91Å; C61-M305 HydrophobicContact CB-SD 4.11Å; C61-M305 WeakPolarHBondContact SG-CE 3.36Å; C61-F308 HydrophobicContact CB-CD2 3.64Å; C61-F308 HydrophobicContact CB-CE2 3.77Å
62L96.5Very high91.5Very high0 Ų017.7 Ų17.70%012%0.119CC..Hα-helixtrans-60-55.8-176.9-61.7170.6000112.3F8 I17 V21 W26 I37 G58 F60 V64 L65 Q66 F308F8-L62 HydrophobicContact CD1-CD1 4.04Å; F8-L62 HydrophobicContact CE1-CD1 3.67Å; I17-L62 HydrophobicContact CG2-CB 4.37Å; I17-L62 HydrophobicContact CG2-CD2 3.33Å; I17-L62 HydrophobicContact CG2-CG 4.38Å; V21-L62 HydrophobicContact CG2-CD1 4.26Å; V21-L62 HydrophobicContact CG2-CD2 3.64Å; W26-L62 HydrophobicContact CZ3-CD1 4.31Å; I37-L62 HydrophobicContact CD1-CD1 3.91Å; G58-L62 WeakPolarHBondContact O-CB 3.18Å; G58-L62 WeakPolarHBondContact O-CD1 3.47Å; G58-L62 WeakPolarHBondContact O-CG 3.42Å; G58-L62 PolarHBondContact O-N 3.07Å; G58-L62 VanDerWaalsContact O-N 3.13Å; F60-L62 PolarHBondContact O-N 3.19Å; L62-V64 PolarHBondContact O-N 2.96Å; L62-L65 PolarHBondContact O-N 2.99Å; L62-Q66 PolarHBondContact O-N 3.2Å; L62-F308 HydrophobicContact CD2-CB 3.95Å; L62-F308 HydrophobicContact CD2-CD1 3.72Å; L62-F308 HydrophobicContact CD2-CD2 4.14Å; L62-F308 HydrophobicContact CD2-CE1 4.23Å; L62-F308 HydrophobicContact CD2-CG 3.67Å
63P96.2Very high92.5Very high0 Ų017.7 Ų17.70%011%0.112CC..Hα-helixtrans-68-33.7179.927.6-37.1000112.8I37 I40 L41 A59 F60 Q66 I67I37-P63 HydrophobicContact CG1-CG 4.45Å; I37-P63 HydrophobicContact CG2-CB 4.41Å; I40-P63 HydrophobicContact CB-CB 4.02Å; I40-P63 HydrophobicContact CB-CG 3.76Å; I40-P63 HydrophobicContact CD1-CG 3.98Å; I40-P63 HydrophobicContact CG1-CG 4.47Å; I40-P63 HydrophobicContact CG2-CB 3.76Å; I40-P63 HydrophobicContact CG2-CG 3.63Å; L41-P63 HydrophobicContact CD2-CB 3.61Å; L41-P63 HydrophobicContact CG-CB 3.71Å; A59-P63 VanDerWaalsContact O-CD 3.26Å; A59-P63 WeakPolarHBondContact O-CD 3.34Å; A59-P63 VanDerWaalsContact O-CG 3.28Å; A59-P63 WeakPolarHBondContact O-CG 3.24Å; F60-P63 WeakPolarHBondContact O-CD 3.43Å; F60-P63 WeakPolarHBondContact O-CG 3.26Å; P63-Q66 PolarHBondContact O-N 3.38Å; P63-I67 VanDerWaalsContact O-CG1 3.25Å; P63-I67 WeakPolarHBondContact O-CG1 3.48Å; P63-I67 PolarHBondContact O-N 3.02Å
64V97.5Very high93.3Very high0 Ų017.8 Ų17.80%010%0.096CC..Hα-helixtrans-67.5-43.8177.9170.50000111.4I40 F60 C61 L62 Q66 I67 V68 C288 F365 I367 I403I40-V64 HydrophobicContact CG2-CG2 4.33Å; F60-V64 VanDerWaalsContact O-CB 3.26Å; F60-V64 WeakPolarHBondContact O-CB 3.49Å; F60-V64 WeakPolarHBondContact O-CG2 3.35Å; F60-V64 PolarHBondContact O-N 2.8Å; C61-V64 PolarHBondContact O-N 2.9Å; L62-V64 PolarHBondContact O-N 2.96Å; V64-Q66 VanDerWaalsContact C-N 3.32Å; V64-Q66 PolarHBondContact O-N 2.82Å; V64-I67 PolarHBondContact O-N 2.94Å; V64-V68 HydrophobicContact CG1-CG2 4.28Å; V64-V68 WeakPolarHBondContact O-CB 3.34Å; V64-V68 VanDerWaalsContact O-CG2 3.28Å; V64-V68 WeakPolarHBondContact O-CG2 3.35Å; V64-V68 PolarHBondContact O-N 3.13Å; V64-C288 HydrophobicContact CG1-CB 4.08Å; V64-F365 HydrophobicContact CG1-CB 4.48Å; V64-F365 HydrophobicContact CG1-CD2 4.16Å; V64-F365 HydrophobicContact CG1-CG 4.16Å; V64-F365 HydrophobicContact CG2-CD1 3.88Å; V64-F365 HydrophobicContact CG2-CE1 4.07Å; V64-F365 HydrophobicContact CG2-CG 4.26Å; V64-I367 HydrophobicContact CG1-CD1 4.49Å; V64-I367 HydrophobicContact CG2-CD1 3.82Å; V64-I403 HydrophobicContact CG2-CD1 3.99Å
65L97.3Very high93.8Very high0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-57.2-47.4174.2-86.5170.1000111.7I17 C61 L62 V68 W69 M305 F308 K309 L312 V317 I341I17-L65 HydrophobicContact CD1-CB 4.27Å; C61-L65 VanDerWaalsContact O-CB 3.29Å; C61-L65 WeakPolarHBondContact O-CB 3.38Å; C61-L65 WeakPolarHBondContact O-CG 3.47Å; C61-L65 PolarHBondContact O-N 3.28Å; L62-L65 PolarHBondContact O-N 2.99Å; L65-V68 PolarHBondContact O-N 3.2Å; L65-W69 VanDerWaalsContact O-CB 3.22Å; L65-W69 WeakPolarHBondContact O-CB 3.41Å; L65-W69 PolarHBondContact O-N 3.45Å; L65-M305 HydrophobicContact CD1-CG 4.4Å; L65-M305 HydrophobicContact CD1-SD 3.43Å; L65-M305 WeakPolarHBondContact CD1-SD 3.42Å; L65-M305 HydrophobicContact CD2-CG 4.16Å; L65-M305 HydrophobicContact CD2-SD 3.48Å; L65-M305 WeakPolarHBondContact CD2-SD 3.41Å; L65-M305 HydrophobicContact CG-CG 4.47Å; L65-M305 HydrophobicContact CG-SD 3.27Å; L65-M305 WeakPolarHBondContact CG-SD 3.05Å; L65-F308 HydrophobicContact CD1-CB 3.44Å; L65-F308 VanDerWaalsContact CD1-CB 3.44Å; L65-F308 HydrophobicContact CD1-CG 4.49Å; L65-K309 HydrophobicContact CD1-CB 4.12Å; L65-K309 HydrophobicContact CD2-CB 3.85Å; L65-L312 HydrophobicContact CB-CD1 4.1Å; L65-L312 HydrophobicContact CD2-CD1 4.36Å; L65-V317 HydrophobicContact CD2-CB 4.42Å; L65-V317 HydrophobicContact CD2-CG1 4.14Å; L65-I341 HydrophobicContact CD2-CD1 3.76Å; L65-I341 HydrophobicContact CG-CD1 4.43Å
66Q96.6Very high93.8Very high12 Ų1223.6 Ų23.66%0.05612%0.116CC..Hα-helixtrans-56-53.8177.1171.1162.8-30.600111.1G12 L14 I17 L41 L62 P63 V64 V68 W69 E70G12-Q66 PolarHBondContact O-NE2 3.2Å; G12-Q66 PolarHBondContact O-OE1 3.06Å; L14-Q66 HydrophobicContact CD1-CB 4.29Å; L14-Q66 HydrophobicContact CD1-CG 3.68Å; L14-Q66 HydrophobicContact CG-CG 3.86Å; I17-Q66 HydrophobicContact CD1-CB 3.76Å; L41-Q66 HydrophobicContact CD2-CG 4.32Å; L62-Q66 PolarHBondContact O-N 3.2Å; P63-Q66 PolarHBondContact O-N 3.38Å; V64-Q66 VanDerWaalsContact C-N 3.32Å; V64-Q66 PolarHBondContact O-N 2.82Å; Q66-V68 PolarHBondContact O-N 3.29Å; Q66-W69 PolarHBondContact O-N 2.68Å; Q66-E70 WeakPolarHBondContact O-CB 3.4Å; Q66-E70 VanDerWaalsContact O-CG 3.3Å; Q66-E70 WeakPolarHBondContact O-CG 3.32Å; Q66-E70 PolarHBondContact O-N 3.22Å
67I94.7Very high93.5Very high10 Ų1026.6 Ų26.65%0.05114%0.138CC..Hα-helixtrans-66-40.6-176.2-64.7165.5000111.6L41 P63 V64 T71 R364 F365L41-I67 HydrophobicContact CD2-CD1 4.18Å; L41-I67 HydrophobicContact CD2-CG1 4.16Å; P63-I67 VanDerWaalsContact O-CG1 3.25Å; P63-I67 WeakPolarHBondContact O-CG1 3.48Å; P63-I67 PolarHBondContact O-N 3.02Å; V64-I67 PolarHBondContact O-N 2.94Å; I67-T71 WeakPolarHBondContact O-CB 3.36Å; I67-T71 PolarHBondContact O-N 3.04Å; I67-T71 PolarHBondContact O-OG1 3.18Å; I67-R364 VanDerWaalsContact CG2-NH2 3.31Å; I67-F365 HydrophobicContact CB-CE2 4.08Å; I67-F365 HydrophobicContact CB-CZ 3.76Å; I67-F365 HydrophobicContact CD1-CE1 4.15Å; I67-F365 HydrophobicContact CD1-CZ 3.64Å; I67-F365 HydrophobicContact CG1-CZ 4.31Å; I67-F365 HydrophobicContact CG2-CE2 3.75Å; I67-F365 HydrophobicContact CG2-CZ 3.56Å
68V96.3Very high92.5Very high1 Ų126.5 Ų26.51%0.00614%0.143CC..Hα-helixtrans-61-47.7175.4166.80000110.1V64 L65 Q66 T71 M72 M287 C288 V317 E340 I341 F365V64-V68 HydrophobicContact CG1-CG2 4.28Å; V64-V68 WeakPolarHBondContact O-CB 3.34Å; V64-V68 VanDerWaalsContact O-CG2 3.28Å; V64-V68 WeakPolarHBondContact O-CG2 3.35Å; V64-V68 PolarHBondContact O-N 3.13Å; L65-V68 PolarHBondContact O-N 3.2Å; Q66-V68 PolarHBondContact O-N 3.29Å; V68-T71 WeakPolarHBondContact O-CB 3.18Å; V68-T71 PolarHBondContact O-N 3.25Å; V68-M72 HydrophobicContact CG1-SD 4.3Å; V68-M72 VanDerWaalsContact O-CG 3.3Å; V68-M72 WeakPolarHBondContact O-CG 3.31Å; V68-M72 PolarHBondContact O-N 2.85Å; V68-M287 HydrophobicContact CG1-CE 3.82Å; V68-M287 HydrophobicContact CG2-CB 4.4Å; V68-C288 HydrophobicContact CG2-CB 4.38Å; V68-V317 HydrophobicContact CG1-CG1 3.95Å; V68-E340 HydrophobicContact CG1-CB 3.95Å; V68-I341 HydrophobicContact CG1-CD1 4.48Å; V68-I341 HydrophobicContact CG1-CG1 4.31Å; V68-I341 HydrophobicContact CG2-CD1 4.45Å; V68-I341 HydrophobicContact CG2-CG1 4.42Å; V68-F365 HydrophobicContact CG2-CD2 4.26Å; V68-F365 HydrophobicContact CG2-CE2 4.25Å
69W96.6Very high90.8Very high9 Ų932.3 Ų32.33%0.03417%0.168CC..Hα-helixtrans-64.2-43.5-179.8-176.775.3000113.1L14 L65 Q66 T71 M72 K73 L312 E313 P315 V317L14-W69 HydrophobicContact CD1-CE3 3.6Å; L14-W69 HydrophobicContact CD1-CH2 4.49Å; L14-W69 HydrophobicContact CD1-CZ3 3.46Å; L14-W69 VanDerWaalsContact CD1-CZ3 3.46Å; L65-W69 VanDerWaalsContact O-CB 3.22Å; L65-W69 WeakPolarHBondContact O-CB 3.41Å; L65-W69 PolarHBondContact O-N 3.45Å; Q66-W69 PolarHBondContact O-N 2.68Å; W69-T71 VanDerWaalsContact C-N 3.32Å; W69-T71 PolarHBondContact O-N 3.1Å; W69-M72 WeakPolarHBondContact O-CB 3.19Å; W69-M72 PolarHBondContact O-N 3.44Å; W69-K73 HydrophobicContact CD2-CD 4.24Å; W69-K73 HydrophobicContact CE3-CD 4.12Å; W69-K73 HydrophobicContact CH2-CD 4.13Å; W69-K73 HydrophobicContact CZ2-CD 4.12Å; W69-K73 HydrophobicContact CZ3-CD 4.03Å; W69-K73 PolarHBondContact O-N 2.95Å; W69-L312 HydrophobicContact CB-CD1 4.27Å; W69-L312 HydrophobicContact CD2-CD2 3.86Å; W69-L312 HydrophobicContact CE3-CD2 4.16Å; W69-L312 HydrophobicContact CG-CB 4.33Å; W69-L312 HydrophobicContact CG-CD1 4.37Å; W69-L312 HydrophobicContact CG-CD2 4.14Å; W69-L312 HydrophobicContact CH2-CD2 4.31Å; W69-L312 HydrophobicContact CZ2-CD2 4.13Å; W69-L312 HydrophobicContact CZ3-CD2 4.41Å; W69-E313 WeakPolarHBondContact CZ2-O 3.47Å; W69-E313 PolarHBondContact NE1-O 3.42Å; W69-P315 PolarHBondContact NE1-O 2.75Å; W69-V317 HydrophobicContact CB-CG2 3.8Å; W69-V317 HydrophobicContact CG-CG2 4.19Å
70E94Very high88.7Confident65 Ų6533.8 Ų33.830%0.30418%0.18SC..Hα-helixtrans-59.9-43.3173.7-73.1177159.100111.3L14 Q66 M72 K73 D74L14-E70 HydrophobicContact CD1-CG 4.5Å; Q66-E70 WeakPolarHBondContact O-CB 3.4Å; Q66-E70 VanDerWaalsContact O-CG 3.3Å; Q66-E70 WeakPolarHBondContact O-CG 3.32Å; Q66-E70 PolarHBondContact O-N 3.22Å; E70-M72 VanDerWaalsContact C-N 3.32Å; E70-M72 PolarHBondContact O-N 2.97Å; E70-K73 WeakPolarHBondContact O-CB 3.36Å; E70-K73 PolarHBondContact O-N 3.04Å; E70-K73 VanDerWaalsContact O-N 3.16Å; E70-D74 PolarHBondContact O-N 2.82Å
71T92.2Very high86Confident20 Ų2041.7 Ų41.712%0.12322%0.215CC..Hα-helixtrans-60.3-42.5175.9-55.60000110.9I67 V68 W69 K73 D74 I75 M287 R364I67-T71 WeakPolarHBondContact O-CB 3.36Å; I67-T71 PolarHBondContact O-N 3.04Å; I67-T71 PolarHBondContact O-OG1 3.18Å; V68-T71 WeakPolarHBondContact O-CB 3.18Å; V68-T71 PolarHBondContact O-N 3.25Å; W69-T71 VanDerWaalsContact C-N 3.32Å; W69-T71 PolarHBondContact O-N 3.1Å; T71-K73 PolarHBondContact O-N 3.47Å; T71-D74 PolarHBondContact O-N 2.8Å; T71-I75 HydrophobicContact CG2-CD1 4.11Å; T71-I75 VanDerWaalsContact O-CG1 3.29Å; T71-I75 WeakPolarHBondContact O-CG1 3.44Å; T71-I75 PolarHBondContact O-N 3.34Å; T71-M287 HydrophobicContact CG2-SD 3.9Å; T71-R364 PolarHBondContact OG1-NH1 2.89Å
72M93.5Very high82.8Confident21 Ų2145.8 Ų45.810%0.10324%0.243CC..Hα-helixtrans-63.5-41175.6-63.2171.87800112.2V68 W69 E70 I75 Q76 M287 P315 V317 E340V68-M72 HydrophobicContact CG1-SD 4.3Å; V68-M72 VanDerWaalsContact O-CG 3.3Å; V68-M72 WeakPolarHBondContact O-CG 3.31Å; V68-M72 PolarHBondContact O-N 2.85Å; W69-M72 WeakPolarHBondContact O-CB 3.19Å; W69-M72 PolarHBondContact O-N 3.44Å; E70-M72 VanDerWaalsContact C-N 3.32Å; E70-M72 PolarHBondContact O-N 2.97Å; M72-I75 PolarHBondContact O-N 3.32Å; M72-Q76 WeakPolarHBondContact O-CG 3.38Å; M72-Q76 PolarHBondContact O-N 3.41Å; M72-M287 HydrophobicContact CG-CE 3.7Å; M72-M287 HydrophobicContact SD-CE 4.46Å; M72-P315 HydrophobicContact CB-CG 3.42Å; M72-P315 VanDerWaalsContact CB-CG 3.42Å; M72-P315 HydrophobicContact CE-CB 3.77Å; M72-P315 HydrophobicContact CE-CG 3.82Å; M72-P315 HydrophobicContact CG-CG 4.36Å; M72-P315 HydrophobicContact SD-CG 4.14Å; M72-V317 HydrophobicContact SD-CB 4.5Å; M72-V317 HydrophobicContact SD-CG2 4Å; M72-E340 HydrophobicContact CE-CG 3.76Å; M72-E340 HydrophobicContact CG-CG 4.35Å; M72-E340 HydrophobicContact SD-CB 4.43Å; M72-E340 HydrophobicContact SD-CG 3.75Å
73K92.2Very high79.7Confident75 Ų7549.9 Ų49.933%0.32627%0.272SS..Hα-helixtrans-63.3-40175.7-79.2-169.9164.7-1780112.3W69 E70 T71 I75 Q76 S77 N314W69-K73 HydrophobicContact CD2-CD 4.24Å; W69-K73 HydrophobicContact CE3-CD 4.12Å; W69-K73 HydrophobicContact CH2-CD 4.13Å; W69-K73 HydrophobicContact CZ2-CD 4.12Å; W69-K73 HydrophobicContact CZ3-CD 4.03Å; W69-K73 PolarHBondContact O-N 2.95Å; E70-K73 WeakPolarHBondContact O-CB 3.36Å; E70-K73 PolarHBondContact O-N 3.04Å; E70-K73 VanDerWaalsContact O-N 3.16Å; T71-K73 PolarHBondContact O-N 3.47Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-Q76 PolarHBondContact O-N 3.42Å; K73-S77 WeakPolarHBondContact O-CB 3.44Å; K73-S77 PolarHBondContact O-N 2.86Å; K73-S77 PolarHBondContact O-OG 2.8Å; K73-N314 WeakPolarHBondContact CE-O 3.4Å
74D88.9Confident76.4Confident73 Ų7352.2 Ų52.239%0.3930%0.296SS..Hα-helixtrans-67.4-35.8177.2-76.5-16.7000112.2E70 T71 S77 G78 K79 A80E70-D74 PolarHBondContact O-N 2.82Å; T71-D74 PolarHBondContact O-N 2.8Å; D74-S77 PolarHBondContact O-OG 2.82Å; D74-G78 PolarHBondContact O-N 2.82Å; D74-K79 PolarHBondContact O-N 3.49Å; D74-K79 VanDerWaalsContact O-N 3.12Å; D74-A80 PolarHBondContact O-N 3.08Å; D74-A80 VanDerWaalsContact O-N 3.14Å
75I86.7Confident73Confident40 Ų4056.7 Ų56.721%0.20533%0.333CS..Hα-helixtrans-66.7-45.1172.4-67.4165.6000110.9T71 M72 K73 G78 A80 K280T71-I75 HydrophobicContact CG2-CD1 4.11Å; T71-I75 VanDerWaalsContact O-CG1 3.29Å; T71-I75 WeakPolarHBondContact O-CG1 3.44Å; T71-I75 PolarHBondContact O-N 3.34Å; M72-I75 PolarHBondContact O-N 3.32Å; K73-I75 VanDerWaalsContact C-N 3.34Å; I75-G78 PolarHBondContact O-N 3.44Å; I75-A80 HydrophobicContact CG1-CB 4.4Å; I75-K280 HydrophobicContact CG2-CB 4.07Å; I75-K280 HydrophobicContact CG2-CG 4.11Å
76Q85.8Confident69.4Low129 Ų12967 Ų6760%0.60338%0.378SS*.Hα-helixtrans-67.9-42.5-179.2-76.8-171.9-17.500113.2M72 K73 G78M72-Q76 WeakPolarHBondContact O-CG 3.38Å; M72-Q76 PolarHBondContact O-N 3.41Å; K73-Q76 PolarHBondContact O-N 3.42Å; Q76-G78 PolarHBondContact O-N 2.88Å
77S83.7Confident65.8Low72 Ų7276 Ų7650%0.50342%0.42SS..THydrogen-bonded Turntrans-72.7-8.5177.6620000113.3K73 D74 K79K73-S77 WeakPolarHBondContact O-CB 3.44Å; K73-S77 PolarHBondContact O-N 2.86Å; K73-S77 PolarHBondContact O-OG 2.8Å; D74-S77 PolarHBondContact O-OG 2.82Å; S77-K79 PolarHBondContact O-N 3.07Å
78G71.6Confident62.4Low27 Ų2779 Ų7928%0.27845%0.452SS..THydrogen-bonded Turntrans71.65.5-17600000113.9D74 I75 Q76 A80 K81D74-G78 PolarHBondContact O-N 2.82Å; I75-G78 PolarHBondContact O-N 3.44Å; Q76-G78 PolarHBondContact O-N 2.88Å; G78-A80 PolarHBondContact O-N 3.39Å; G78-K81 WeakPolarHBondContact O-CB 3.17Å; G78-K81 PolarHBondContact O-N 3.2Å
79K59Low58.9Low124 Ų12487.3 Ų87.354%0.53950%0.497SS..G310 helixtrans-59.9-28.8173.4-76.7-176.8178.9179.10112.3D74 S77 K81 S82D74-K79 PolarHBondContact O-N 3.49Å; D74-K79 VanDerWaalsContact O-N 3.12Å; S77-K79 PolarHBondContact O-N 3.07Å; K79-K81 PolarHBondContact O-N 2.79Å; K79-S82 PolarHBondContact O-N 3.3Å; K79-S82 VanDerWaalsContact O-N 3.17Å; K79-S82 PolarHBondContact O-OG 3.42Å
80A51Low55.5Low32 Ų3292.6 Ų92.626%0.26454%0.535SS..G310 helixtrans-62.3-21.6171.800000113.5D74 I75 G78 L279D74-A80 PolarHBondContact O-N 3.08Å; D74-A80 VanDerWaalsContact O-N 3.14Å; I75-A80 HydrophobicContact CG1-CB 4.4Å; G78-A80 PolarHBondContact O-N 3.39Å; A80-L279 HydrophobicContact CB-CD1 4.25Å; A80-L279 WeakPolarHBondContact O-CD1 3.49Å
81K38.6Very low52Low166 Ų16696 Ų9672%0.72256%0.561SS**G310 helixtrans-88.7-18.8176.3-65.1-177.4175.9179.80113.5G78 K79 S83 L279G78-K81 WeakPolarHBondContact O-CB 3.17Å; G78-K81 PolarHBondContact O-N 3.2Å; K79-K81 PolarHBondContact O-N 2.79Å; K81-S83 PolarHBondContact O-N 3.42Å; K81-L279 HydrophobicContact CG-CD1 4.39Å
82S29.3Very low48.8Very low85 Ų85100.7 Ų100.759%0.59459%0.594SS**THydrogen-bonded Turntrans-94.813.6-163.567.30000115.8K79K79-S82 PolarHBondContact O-N 3.3Å; K79-S82 VanDerWaalsContact O-N 3.17Å; K79-S82 PolarHBondContact O-OG 3.42Å
83S32.9Very low45.6Very low86 Ų86105.1 Ų105.160%0.60163%0.627SS**THydrogen-bonded Turntrans-78.4-7.3162.2510000112.6K81K81-S83 PolarHBondContact O-N 3.42Å
84G26.5Very low42.5Very low50 Ų50111.5 Ų111.552%0.51566%0.655SS.*SBendtrans-116112.4168.100000111.9
85A24.8Very low39.5Very low94 Ų94115.7 Ų115.778%0.77768%0.677SS**  trans56.1100.3163.500000118.6
86K22Very low36.5Very low216 Ų216119 Ų11994%0.93971%0.71SS**  trans-166.5131.2130.3-104.9166.7-167.6-172.70113.3
87H22.3Very low33.6Very low202 Ų202121.8 Ų121.894%0.93572%0.715SS**  trans-69.1136.6169.7-130.916.8000109.7
88G22.8Very low30.9Very low71 Ų71124.3 Ų124.373%0.73273%0.729SS**  trans165.9105.6169.900000113.8S90G88-S90 PolarHBondContact O-N 2.82Å
89N21.9Very low28.8Very low177 Ų177126.8 Ų126.895%0.94775%0.747SS**  trans-51.5122167.2-84.2-13.8000111.2
90S25.5Very low27.4Very low119 Ų119124.7 Ų124.783%0.83275%0.748SS**  trans-144.312714679.30000111.5G88G88-S90 PolarHBondContact O-N 2.82Å
91T21.1Very low26.6Very low137 Ų137129 Ų12984%0.8477%0.766SS**  trans-77.6149.9174.240.60000111.3
92S24.3Very low26.2Very low118 Ų118124.8 Ų124.883%0.82575%0.748SS**  trans95.3104.5158.3-150.70000117.8
93S27.2Very low26.4Very low115 Ų115125.2 Ų125.280%0.80475%0.75SS**  175.8135.210247.90000110.3L95S93-L95 PolarHBondContact O-N 2.78Å
94K26.3Very low26.5Very low208 Ų208123 Ų12390%0.90474%0.737SS**  trans-76.496.5-176.6-70.5173.5175.8176.90110.5
95L25.2Very low27Very low162 Ų162127.1 Ų127.185%0.84874%0.738SS**  trans-153.597.4143.6-125.199.5000104.7S93 R97S93-L95 PolarHBondContact O-N 2.78Å; L95-R97 VanDerWaalsContact C-N 3.28Å; L95-R97 PolarHBondContact O-N 2.91Å
96A24.8Very low28Very low109 Ų109131.6 Ų131.690%0.90174%0.74SS**  trans-6888.1-177.400000109.3
97R24Very low30.5Very low188 Ų188123.4 Ų123.471%0.70971%0.708SS**  trans-55.2141.1155.9-69.1176.767.3170.81106.8L95 A99L95-R97 VanDerWaalsContact C-N 3.28Å; L95-R97 PolarHBondContact O-N 2.91Å; R97-A99 PolarHBondContact O-N 3.31Å
98P27.4Very low33.6Very low124 Ų124114.3 Ų114.381%0.80567%0.665SS**  trans-56.7111166.124.6-29.5000105.5S100P98-S100 PolarHBondContact O-N 2.61Å; P98-S100 VanDerWaalsContact O-N 3.14Å
99A28.1Very low36.8Very low80 Ų80112.9 Ų112.966%0.66164%0.641SS**  trans-50.8127.9176.700000106R97 I101R97-A99 PolarHBondContact O-N 3.31Å; A99-I101 PolarHBondContact O-N 3.21Å
100S29.8Very low40Very low79 Ų79104.8 Ų104.855%0.55260%0.597SS**  trans-39.411917755.80000108.7P98 F102 S103P98-S100 PolarHBondContact O-N 2.61Å; P98-S100 VanDerWaalsContact O-N 3.14Å; S100-F102 PolarHBondContact O-N 3.19Å; S100-S103 PolarHBondContact O-N 2.64Å
101I33.1Very low43Very low124 Ų12499.3 Ų99.364%0.63656%0.559SS**THydrogen-bonded Turntrans-48.1-20-177.4-75.1164.8000112.3A99A99-I101 PolarHBondContact O-N 3.21Å
102F32Very low45.7Very low77 Ų7796 Ų9634%0.33854%0.535SS..THydrogen-bonded Turntrans-97.84.1-176.4-60.4-84.8000116.2S100 A104S100-F102 PolarHBondContact O-N 3.19Å; F102-A104 PolarHBondContact O-N 2.67Å; F102-A104 VanDerWaalsContact O-N 3.13Å
103S32.3Very low48.3Very low93 Ų9392.8 Ų92.865%0.6551%0.505SS*.SBendtrans-69.8-1.8173.8-171.60000113.1S100S100-S103 PolarHBondContact O-N 2.64Å
104A34.7Very low51.1Low39 Ų3987.6 Ų87.632%0.32247%0.468SS..  trans-108.350.6-170.200000114.2F102 K106 T107F102-A104 PolarHBondContact O-N 2.67Å; F102-A104 VanDerWaalsContact O-N 3.13Å; A104-K106 PolarHBondContact O-N 3.19Å; A104-K106 VanDerWaalsContact O-N 3.12Å; A104-T107 PolarHBondContact O-N 3.24Å; A104-T107 VanDerWaalsContact O-N 3.11Å
105Y37.6Very low54Low137 Ų13781.3 Ų81.354%0.53744%0.439SS..THydrogen-bonded Turntrans-64.1-4.5156.5-79.9-76.7000112.5T107 K143Y105-T107 VanDerWaalsContact C-N 3.28Å; Y105-K143 PolarHBondContact O-NZ 2.78Å
106K46.6Very low56.4Low188 Ų18874.1 Ų74.182%0.81740%0.404SS*.THydrogen-bonded Turntrans-71.9-18.2168.1-76.1-173.3177.2179.10113.6A104 K143A104-K106 PolarHBondContact O-N 3.19Å; A104-K106 VanDerWaalsContact O-N 3.12Å; K106-K143 PolarHBondContact O-NZ 3.11Å
107T73.4Confident58.6Low44 Ų4475.8 Ų75.827%0.2740%0.397SS..SBendtrans-103147.7-171.7-45.60000111.9A104 Y105A104-T107 PolarHBondContact O-N 3.24Å; A104-T107 VanDerWaalsContact O-N 3.11Å; Y105-T107 VanDerWaalsContact C-N 3.28Å
108W87.8Confident60.7Low11 Ų1167.5 Ų67.54%0.04237%0.369CS..  trans-70.4123170.1-76.978.8000110.2A141 K143 V145 F240 L256 A259 T264W108-A141 HydrophobicContact CE3-CB 4.46Å; W108-K143 HydrophobicContact CD2-CB 3.96Å; W108-K143 HydrophobicContact CD2-CD 4.41Å; W108-K143 HydrophobicContact CE3-CB 3.85Å; W108-K143 HydrophobicContact CH2-CB 3.66Å; W108-K143 HydrophobicContact CZ2-CB 3.81Å; W108-K143 VanDerWaalsContact CZ3-C 3.43Å; W108-K143 HydrophobicContact CZ3-CB 3.7Å; W108-K143 WeakPolarHBondContact CZ3-O 3.33Å; W108-V145 HydrophobicContact CH2-CG1 3.92Å; W108-V145 HydrophobicContact CZ2-CG1 4.1Å; W108-F240 HydrophobicContact CB-CB 3.38Å; W108-F240 HydrophobicContact CB-CD1 4.3Å; W108-F240 HydrophobicContact CB-CD2 3.88Å; W108-F240 HydrophobicContact CB-CG 3.61Å; W108-F240 HydrophobicContact CE3-CD1 4.34Å; W108-F240 HydrophobicContact CG-CB 4.16Å; W108-F240 WeakPolarHBondContact O-CD2 3.36Å; W108-L256 HydrophobicContact CD2-CB 3.78Å; W108-L256 VanDerWaalsContact CE2-O 3.26Å; W108-L256 HydrophobicContact CE3-CB 3.96Å; W108-L256 HydrophobicContact CE3-CD1 3.91Å; W108-L256 HydrophobicContact CE3-CG 4.38Å; W108-L256 HydrophobicContact CG-CB 4.27Å; W108-L256 HydrophobicContact CH2-CB 4.26Å; W108-L256 HydrophobicContact CH2-CD1 4.32Å; W108-L256 HydrophobicContact CH2-CD2 3.64Å; W108-L256 HydrophobicContact CH2-CG 4.31Å; W108-L256 HydrophobicContact CZ2-CB 4.07Å; W108-L256 HydrophobicContact CZ2-CD2 3.97Å; W108-L256 HydrophobicContact CZ3-CB 4.2Å; W108-L256 HydrophobicContact CZ3-CD1 3.76Å; W108-L256 HydrophobicContact CZ3-CD2 3.95Å; W108-L256 HydrophobicContact CZ3-CG 4.21Å; W108-L256 VanDerWaalsContact NE1-C 3.3Å; W108-L256 PolarHBondContact NE1-O 3.31Å; W108-A259 HydrophobicContact CZ2-CB 4.47Å; W108-T264 HydrophobicContact CZ2-CG2 3.83Å
109L89.6Confident63.2Low41 Ų4162.2 Ų62.222%0.21533%0.333CS..  trans-139.9165-179.3-62.6179.6000109.4D124 L126 A141 T142L109-D124 WeakPolarHBondContact CD2-O 3.49Å; L109-L126 HydrophobicContact CD2-CD2 3.68Å; L109-L126 HydrophobicContact CD2-CG 4.1Å; L109-A141 CarbonylContact O-C 3.26Å; L109-A141 VanDerWaalsContact O-CA 3.23Å; L109-A141 WeakPolarHBondContact O-CA 3.32Å; L109-T142 HydrophobicContact CB-CG2 4.23Å; L109-T142 PolarHBondContact N-OG1 2.98Å; L109-T142 PolarHBondContact O-N 3.04Å; L109-T142 PolarHBondContact O-OG1 2.69Å
110L89.6Confident65.2Low7 Ų758.8 Ų58.84%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-67.9142.1160.5-63.7172.3000110.5M112 I121 G125 C128 F238 F240L110-M112 PolarHBondContact O-N 3.35Å; L110-I121 HydrophobicContact CB-CD1 3.88Å; L110-I121 HydrophobicContact CB-CG2 3.9Å; L110-I121 HydrophobicContact CD1-CG2 4.14Å; L110-G125 VanDerWaalsContact CB-O 3.27Å; L110-G125 WeakPolarHBondContact CB-O 3.45Å; L110-G125 PolarHBondContact N-O 3.4Å; L110-C128 HydrophobicContact CD1-CB 3.55Å; L110-F238 HydrophobicContact CD1-CD2 3.65Å; L110-F238 HydrophobicContact CD1-CE2 3.76Å; L110-F238 HydrophobicContact CD1-CG 4.37Å; L110-F238 HydrophobicContact CD2-CD1 4.18Å; L110-F238 HydrophobicContact CD2-CD2 4.1Å; L110-F238 HydrophobicContact CD2-CE1 4.04Å; L110-F238 HydrophobicContact CD2-CE2 3.97Å; L110-F238 HydrophobicContact CD2-CG 4.21Å; L110-F238 HydrophobicContact CD2-CZ 3.94Å; L110-F238 HydrophobicContact CG-CD2 4.05Å; L110-F238 HydrophobicContact CG-CE2 4.29Å; L110-F238 HydrophobicContact CG-CG 4.29Å; L110-F240 HydrophobicContact CD2-CZ 4.31Å
111N87.6Confident67.5Low5 Ų556.4 Ų56.43%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-88.6107.9-177.3-173.4-11.6000110.3Y113 D114 R140 T142 S267 I269N111-Y113 PolarHBondContact O-N 2.78Å; N111-Y113 WeakPolarHBondContact OD1-CB 3.17Å; N111-Y113 WeakPolarHBondContact OD1-CD2 3.25Å; N111-Y113 PolarHBondContact OD1-N 2.83Å; N111-D114 HydrophobicContact CB-CB 3.8Å; N111-D114 WeakPolarHBondContact ND2-CB 3.46Å; N111-D114 PolarHBondContact O-N 3.38Å; N111-R140 VanDerWaalsContact CB-O 3.26Å; N111-R140 WeakPolarHBondContact CB-O 3.32Å; N111-R140 PolarHBondContact N-O 3.32Å; N111-T142 HydrophobicContact CB-CG2 3.91Å; N111-S267 PolarHBondContact ND2-OG 3.48Å; N111-I269 PolarHBondContact ND2-O 2.87Å
112M78.5Confident69.3Low66 Ų6652.6 Ų52.633%0.32527%0.268SS..EExtended strand (participates in β ladder)trans-60.2-14.8179.169.2-175.978.400114.8L110 R115L110-M112 PolarHBondContact O-N 3.35Å; M112-R115 VanDerWaalsContact O-CD 3.23Å; M112-R115 WeakPolarHBondContact O-CD 3.24Å; M112-R115 PolarHBondContact O-NE 3.27Å
113Y79.2Confident70.9Confident52 Ų5253.4 Ų53.420%0.20428%0.281CS..EExtended strand (participates in β ladder)trans-102.5-12.8179.8-53.3-65.7000113.4N111 G271 V393 G397N111-Y113 PolarHBondContact O-N 2.78Å; N111-Y113 WeakPolarHBondContact OD1-CB 3.17Å; N111-Y113 WeakPolarHBondContact OD1-CD2 3.25Å; N111-Y113 PolarHBondContact OD1-N 2.83Å; Y113-G271 VanDerWaalsContact CB-N 3.26Å; Y113-V393 HydrophobicContact CE1-CB 4.28Å; Y113-V393 HydrophobicContact CE1-CG1 3.87Å; Y113-V393 HydrophobicContact CE1-CG2 4.21Å; Y113-G397 WeakPolarHBondContact OH-CA 3.32Å
114D86.6Confident72.8Confident5 Ų552.7 Ų52.73%0.02727%0.27CS..EExtended strand (participates in β ladder)trans-116.962-175.9-163.36.2000109.1N111 A139 R140 I269N111-D114 HydrophobicContact CB-CB 3.8Å; N111-D114 WeakPolarHBondContact ND2-CB 3.46Å; N111-D114 PolarHBondContact O-N 3.38Å; D114-A139 CarbonylContact O-C 3.53Å; D114-A139 VanDerWaalsContact O-CA 3.25Å; D114-A139 WeakPolarHBondContact O-CA 3.45Å; D114-R140 HydrophobicContact CB-CB 4.44Å; D114-R140 PolarHBondContact O-N 3.21Å; D114-R140 IonicContact OD1-CZ 3.61Å; D114-R140 IonicContact OD1-NE 3.64Å; D114-R140 PolarHBondContact OD1-NE 3.17Å; D114-R140 IonicContact OD1-NH2 2.82Å; D114-R140 PolarHBondContact OD1-NH2 3.48Å; D114-R140 WeakPolarHBondContact OD2-CB 3.09Å; D114-R140 IonicContact OD2-CZ 2.67Å; D114-R140 IonicContact OD2-NE 3.74Å; D114-R140 PolarHBondContact OD2-NE 3.41Å; D114-R140 IonicContact OD2-NH2 3.59Å; D114-I269 HydrophobicContact CB-CB 4.07Å; D114-I269 HydrophobicContact CB-CG2 3.62Å; D114-I269 WeakPolarHBondContact OD1-CD1 3.22Å; D114-I269 VanDerWaalsContact OD2-CD1 3.28Å; D114-I269 WeakPolarHBondContact OD2-CD1 2.98Å
115R85.9Confident75Confident77 Ų7751.1 Ų51.129%0.29126%0.257SS..EExtended strand (participates in β ladder)trans-143.3153.6-172.172.7-176.5175105.35.7111.3M112 M119 I121 G138 A139 L174M112-R115 VanDerWaalsContact O-CD 3.23Å; M112-R115 WeakPolarHBondContact O-CD 3.24Å; M112-R115 PolarHBondContact O-NE 3.27Å; R115-M119 HydrophobicContact CB-CB 4.08Å; R115-M119 HydrophobicContact CB-CG 4.11Å; R115-M119 VanDerWaalsContact CD-O 3.25Å; R115-M119 WeakPolarHBondContact CD-O 3.12Å; R115-M119 PolarHBondContact NH1-O 2.66Å; R115-I121 HydrophobicContact CB-CD1 4.18Å; R115-G138 CarbonylContact C-O 3.52Å; R115-G138 WeakPolarHBondContact CA-O 3.21Å; R115-A139 HydrophobicContact CB-CB 3.8Å; R115-L174 VanDerWaalsContact C-CD1 3.44Å
116G76.5Confident77.4Confident11 Ų1145.3 Ų45.311%0.11324%0.236CC..  trans-66.3152.4171.700000110.4S118 M119 G138G116-S118 PolarHBondContact O-N 3.38Å; G116-S118 VanDerWaalsContact O-N 3.09Å; G116-M119 WeakPolarHBondContact O-CB 3.45Å; G116-M119 PolarHBondContact O-N 2.95Å; G116-G138 PolarHBondContact N-O 3.24Å
117D69.9Low79.1Confident143 Ų14338.1 Ų38.177%0.76521%0.206SC*.THydrogen-bonded Turntrans-54.6-35.7-173.7-64-38.3000113
118S69.5Low79.5Confident15 Ų1536.3 Ų36.311%0.10520%0.195CC..THydrogen-bonded Turntrans-93.8-1.5178.2-43.90000113.9G116 A120 R131 H137G116-S118 PolarHBondContact O-N 3.38Å; G116-S118 VanDerWaalsContact O-N 3.09Å; S118-A120 PolarHBondContact O-N 3.43Å; S118-R131 WeakPolarHBondContact O-CA 3.38Å; S118-R131 WeakPolarHBondContact O-CB 3.4Å; S118-R131 VanDerWaalsContact O-CG 3.29Å; S118-R131 WeakPolarHBondContact O-CG 3.28Å; S118-R131 PolarHBondContact O-N 2.97Å; S118-H137 VanDerWaalsContact CB-CE1 3.46Å; S118-H137 WeakPolarHBondContact CB-CE1 3.49Å; S118-H137 WeakPolarHBondContact CB-NE2 3.43Å; S118-H137 PolarHBondContact N-ND1 2.82Å; S118-H137 PolarHBondContact OG-CE1 3.48Å; S118-H137 PolarHBondContact OG-NE2 2.74Å
119M79Confident79.2Confident12 Ų1237.7 Ų37.76%0.05920%0.202CC..EExtended strand (participates in β ladder)trans-77.9115.5176.8176.256.876.300109.9R115 G116 I121 C128 H137 A139R115-M119 HydrophobicContact CB-CB 4.08Å; R115-M119 HydrophobicContact CB-CG 4.11Å; R115-M119 VanDerWaalsContact CD-O 3.25Å; R115-M119 WeakPolarHBondContact CD-O 3.12Å; R115-M119 PolarHBondContact NH1-O 2.66Å; G116-M119 WeakPolarHBondContact O-CB 3.45Å; G116-M119 PolarHBondContact O-N 2.95Å; M119-I121 HydrophobicContact CG-CG1 4.39Å; M119-C128 HydrophobicContact SD-CB 3.7Å; M119-H137 HydrophobicContact CB-CB 3.88Å; M119-H137 VanDerWaalsContact CE-C 3.43Å; M119-H137 HydrophobicContact CE-CB 4.38Å; M119-H137 WeakPolarHBondContact CE-O 3.5Å; M119-A139 HydrophobicContact CG-CB 3.96Å
120A70.2Confident78.4Confident9 Ų937.5 Ų37.57%0.07420%0.204CC..EExtended strand (participates in β ladder)trans-91.4148.4172.800000111.9S118 C128 Q129 R131S118-A120 PolarHBondContact O-N 3.43Å; A120-C128 CarbonylContact O-C 3.6Å; A120-C128 WeakPolarHBondContact O-CA 3.43Å; A120-C128 WeakPolarHBondContact O-CB 3.33Å; A120-Q129 PolarHBondContact N-O 3.47Å; A120-Q129 PolarHBondContact O-N 2.63Å; A120-R131 HydrophobicContact CB-CG 4.19Å
121I78.2Confident76.9Confident28 Ų2841.3 Ų41.314%0.14422%0.218CC..EExtended strand (participates in β ladder)trans-134134.1177.7-50.6-175.3000107.8L110 R115 M119 L127 C128 A139L110-I121 HydrophobicContact CB-CD1 3.88Å; L110-I121 HydrophobicContact CB-CG2 3.9Å; L110-I121 HydrophobicContact CD1-CG2 4.14Å; R115-I121 HydrophobicContact CB-CD1 4.18Å; M119-I121 HydrophobicContact CG-CG1 4.39Å; I121-L127 CarbonylContact C-O 3.52Å; I121-L127 VanDerWaalsContact CA-O 3.26Å; I121-L127 WeakPolarHBondContact CA-O 3.35Å; I121-C128 HydrophobicContact CG1-CB 4.02Å; I121-A139 HydrophobicContact CD1-CB 3.66Å
122T71.2Confident75.8Confident44 Ų4443.6 Ų43.627%0.2723%0.23SC..  trans-65158.1177.843.90000112.3D124 G125 L127T122-D124 VanDerWaalsContact CB-OD1 3.24Å; T122-D124 WeakPolarHBondContact CB-OD1 3.32Å; T122-D124 PolarHBondContact O-N 2.72Å; T122-D124 PolarHBondContact OG1-OD1 3.34Å; T122-G125 WeakPolarHBondContact O-CA 3.3Å; T122-G125 PolarHBondContact O-N 2.82Å; T122-L127 HydrophobicContact CG2-CB 3.86Å; T122-L127 HydrophobicContact CG2-CD2 3.52Å; T122-L127 HydrophobicContact CG2-CG 4.29Å; T122-L127 PolarHBondContact N-O 2.83Å; T122-L127 WeakPolarHBondContact OG1-CB 3.28Å; T122-L127 PolarHBondContact OG1-N 2.73Å; T122-L127 PolarHBondContact OG1-O 3.14Å
123P64.5Low74.9Confident95 Ų9545.7 Ų45.762%0.61724%0.239SC*.THydrogen-bonded Turntrans-59.3-27.3179.7-26.135.4000114.8G125P123-G125 PolarHBondContact O-N 2.84Å
124D72.6Confident74.3Confident78 Ų7852.8 Ų52.842%0.41727%0.271SS..THydrogen-bonded Turntrans-75.9-9.6173.766.32000113.1L109 T122 L126L109-D124 WeakPolarHBondContact CD2-O 3.49Å; T122-D124 VanDerWaalsContact CB-OD1 3.24Å; T122-D124 WeakPolarHBondContact CB-OD1 3.32Å; T122-D124 PolarHBondContact O-N 2.72Å; T122-D124 PolarHBondContact OG1-OD1 3.34Å; D124-L126 VanDerWaalsContact C-N 3.29Å; D124-L126 PolarHBondContact O-N 2.86Å; D124-L126 PolarHBondContact OD1-N 3.39Å
125G81.4Confident73.6Confident5 Ų553.9 Ų53.95%0.05228%0.283CS..SBendtrans74.410.1178.700000114.9L110 T122 P123L110-G125 VanDerWaalsContact CB-O 3.27Å; L110-G125 WeakPolarHBondContact CB-O 3.45Å; L110-G125 PolarHBondContact N-O 3.4Å; T122-G125 WeakPolarHBondContact O-CA 3.3Å; T122-G125 PolarHBondContact O-N 2.82Å; P123-G125 PolarHBondContact O-N 2.84Å
126L87.7Confident73.4Confident16 Ų1655.6 Ų55.68%0.08429%0.29CS..  trans-104.6-20.7-172.8-64.4179.9000113.9L109 D124 K237 F238 F240L109-L126 HydrophobicContact CD2-CD2 3.68Å; L109-L126 HydrophobicContact CD2-CG 4.1Å; D124-L126 VanDerWaalsContact C-N 3.29Å; D124-L126 PolarHBondContact O-N 2.86Å; D124-L126 PolarHBondContact OD1-N 3.39Å; L126-K237 CarbonylContact O-C 3.53Å; L126-K237 WeakPolarHBondContact O-CA 3.2Å; L126-F238 PolarHBondContact O-N 3.26Å; L126-F240 HydrophobicContact CD2-CD2 4.04Å; L126-F240 HydrophobicContact CD2-CE2 4.23Å
127L81.2Confident73.6Confident36 Ų3657 Ų5719%0.18829%0.293CS..EExtended strand (participates in β ladder)trans-119137.9-176.7179.8146.7000110.6I121 T122 E235 V236 K237I121-L127 CarbonylContact C-O 3.52Å; I121-L127 VanDerWaalsContact CA-O 3.26Å; I121-L127 WeakPolarHBondContact CA-O 3.35Å; T122-L127 HydrophobicContact CG2-CB 3.86Å; T122-L127 HydrophobicContact CG2-CD2 3.52Å; T122-L127 HydrophobicContact CG2-CG 4.29Å; T122-L127 PolarHBondContact N-O 2.83Å; T122-L127 WeakPolarHBondContact OG1-CB 3.28Å; T122-L127 PolarHBondContact OG1-N 2.73Å; T122-L127 PolarHBondContact OG1-O 3.14Å; L127-E235 HydrophobicContact CD1-CG 4.07Å; L127-E235 WeakPolarHBondContact CD1-OE1 3.27Å; L127-E235 VanDerWaalsContact CD2-CD 3.5Å; L127-E235 HydrophobicContact CD2-CG 3.64Å; L127-E235 WeakPolarHBondContact CD2-OE2 3.46Å; L127-E235 HydrophobicContact CG-CG 3.8Å; L127-V236 WeakPolarHBondContact CA-O 3.24Å; L127-K237 HydrophobicContact CD1-CB 4.37Å
128C83.4Confident74.5Confident7 Ų750.9 Ų50.95%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-141.8155.4177.476.80000114.4L110 M119 A120 I121 V236L110-C128 HydrophobicContact CD1-CB 3.55Å; M119-C128 HydrophobicContact SD-CB 3.7Å; A120-C128 CarbonylContact O-C 3.6Å; A120-C128 WeakPolarHBondContact O-CA 3.43Å; A120-C128 WeakPolarHBondContact O-CB 3.33Å; I121-C128 HydrophobicContact CG1-CB 4.02Å; C128-V236 PolarHBondContact N-O 3.22Å; C128-V236 PolarHBondContact O-N 2.68Å; C128-V236 VanDerWaalsContact SG-CG2 3.57Å
129Q80.1Confident75.5Confident39 Ų3951.4 Ų51.418%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-151.2134.2179.8-164.6-177.140.300111A120 R131 D159 E235A120-Q129 PolarHBondContact N-O 3.47Å; A120-Q129 PolarHBondContact O-N 2.63Å; Q129-R131 PolarHBondContact O-N 3.29Å; Q129-D159 PolarHBondContact NE2-OD2 2.74Å; Q129-E235 HydrophobicContact CB-CB 4.3Å; Q129-E235 HydrophobicContact CB-CG 4.2Å; Q129-E235 HydrophobicContact CG-CB 4.14Å
130S72.6Confident76.2Confident37 Ų3752.2 Ų52.226%0.25927%0.272SS..EExtended strand (participates in β ladder)trans-70.5126.4167.1179.50000110.4D132 H137S130-D132 PolarHBondContact OG-O 3.06Å; S130-D132 VanDerWaalsContact OG-O 3.1Å; S130-H137 PolarHBondContact OG-CD2 3.1Å
131R58.9Low77.3Confident87 Ų8752.9 Ų52.933%0.32828%0.278SS..SBendtrans-92-5.7177.5-61.2-170.2168.5177.611.5114.3S118 A120 Q129 H441S118-R131 WeakPolarHBondContact O-CA 3.38Å; S118-R131 WeakPolarHBondContact O-CB 3.4Å; S118-R131 VanDerWaalsContact O-CG 3.29Å; S118-R131 WeakPolarHBondContact O-CG 3.28Å; S118-R131 PolarHBondContact O-N 2.97Å; A120-R131 HydrophobicContact CB-CG 4.19Å; Q129-R131 PolarHBondContact O-N 3.29Å; R131-H441 PolarHBondContact NH1-CD2 3.49Å; R131-H441 PolarHBondContact NH1-CE1 2.99Å; R131-H441 PolarHBondContact NH1-ND1 3.19Å; R131-H441 PolarHBondContact NH1-NE2 3.36Å; R131-H441 PolarHBondContact NH2-CD2 2.82Å; R131-H441 PolarHBondContact NH2-CE1 3.48Å; R131-H441 PolarHBondContact NH2-NE2 2.86Å
132D63.7Low77.9Confident53 Ų5353 Ų5328%0.28328%0.28SS..  trans-96.3123.6167.8-177.29.4000109S130 K134 G135 H137S130-D132 PolarHBondContact OG-O 3.06Å; S130-D132 VanDerWaalsContact OG-O 3.1Å; D132-K134 VanDerWaalsContact C-N 3.32Å; D132-K134 PolarHBondContact OD1-N 2.88Å; D132-G135 PolarHBondContact OD1-N 3.42Å; D132-G135 WeakPolarHBondContact OD2-CA 3.33Å; D132-G135 PolarHBondContact OD2-N 3.37Å; D132-H137 VanDerWaalsContact CB-NE2 3.35Å; D132-H137 WeakPolarHBondContact CB-NE2 3.22Å; D132-H137 IonicContact OD2-NE2 3.19Å; D132-H137 PolarHBondContact OD2-NE2 2.79Å
133Q61.2Low78.8Confident110 Ų11052.5 Ų52.551%0.51427%0.274SS..SBendtrans-79.3-16.2176.3-63.7-167.7-68.100113N233Q133-N233 PolarHBondContact NE2-ND2 3.46Å
134K66.7Low80.2Confident202 Ų20249.5 Ų49.588%0.87826%0.26SS*.SBendtrans-98.3-36.3-178.2-66.9-174.4177.6-176.80112.1D132D132-K134 VanDerWaalsContact C-N 3.32Å; D132-K134 PolarHBondContact OD1-N 2.88Å
135G71.3Confident81.3Confident27 Ų2747 Ų4728%0.27825%0.247SC..SBendtrans-99156.6-176.500000114.2D132D132-G135 PolarHBondContact OD1-N 3.42Å; D132-G135 WeakPolarHBondContact OD2-CA 3.33Å; D132-G135 PolarHBondContact OD2-N 3.37Å
136W81.9Confident81.9Confident113 Ų11350.2 Ų50.243%0.42827%0.266SS..  trans-92120.6168.9-73.495.7000109.6L162 R164W136-L162 HydrophobicContact CH2-CB 3.94Å; W136-L162 HydrophobicContact CZ2-CB 4.45Å; W136-R164 VanDerWaalsContact CE3-NH2 3.27Å; W136-R164 HydrophobicContact CH2-CG 4.25Å; W136-R164 HydrophobicContact CZ3-CB 4.39Å; W136-R164 HydrophobicContact CZ3-CG 4.17Å
137H80.8Confident82.2Confident40 Ų4052 Ų5219%0.18529%0.288CS..  trans-116.6145.1170.9-61.8-98.6000108.1S118 M119 S130 D132S118-H137 VanDerWaalsContact CB-CE1 3.46Å; S118-H137 WeakPolarHBondContact CB-CE1 3.49Å; S118-H137 WeakPolarHBondContact CB-NE2 3.43Å; S118-H137 PolarHBondContact N-ND1 2.82Å; S118-H137 PolarHBondContact OG-CE1 3.48Å; S118-H137 PolarHBondContact OG-NE2 2.74Å; M119-H137 HydrophobicContact CB-CB 3.88Å; M119-H137 VanDerWaalsContact CE-C 3.43Å; M119-H137 HydrophobicContact CE-CB 4.38Å; M119-H137 WeakPolarHBondContact CE-O 3.5Å; S130-H137 PolarHBondContact OG-CD2 3.1Å; D132-H137 VanDerWaalsContact CB-NE2 3.35Å; D132-H137 WeakPolarHBondContact CB-NE2 3.22Å; D132-H137 IonicContact OD2-NE2 3.19Å; D132-H137 PolarHBondContact OD2-NE2 2.79Å
138G87.6Confident82.8Confident15 Ų1556.5 Ų56.516%0.15531%0.306CS..  trans-132.9169.8178.200000111.2R115 G116 L174R115-G138 CarbonylContact C-O 3.52Å; R115-G138 WeakPolarHBondContact CA-O 3.21Å; G116-G138 PolarHBondContact N-O 3.24Å; G138-L174 VanDerWaalsContact CA-O 3.24Å; G138-L174 WeakPolarHBondContact CA-O 3.42Å; G138-L174 PolarHBondContact N-O 3.19Å
139A90.7Very high83.3Confident27 Ų2757.1 Ų57.122%0.22331%0.313CS..EExtended strand (participates in β ladder)trans-139.1152.5169.200000109.6D114 R115 M119 I121D114-A139 CarbonylContact O-C 3.53Å; D114-A139 VanDerWaalsContact O-CA 3.25Å; D114-A139 WeakPolarHBondContact O-CA 3.45Å; R115-A139 HydrophobicContact CB-CB 3.8Å; M119-A139 HydrophobicContact CG-CB 3.96Å; I121-A139 HydrophobicContact CD1-CB 3.66Å
140R93.9Very high84.2Confident29 Ų2957.9 Ų57.911%0.10932%0.316CS..EExtended strand (participates in β ladder)trans-104.8164.4171.9-78.5178.5-77-103.64.2111.3N111 D114 A172 L174N111-R140 VanDerWaalsContact CB-O 3.26Å; N111-R140 WeakPolarHBondContact CB-O 3.32Å; N111-R140 PolarHBondContact N-O 3.32Å; D114-R140 HydrophobicContact CB-CB 4.44Å; D114-R140 PolarHBondContact O-N 3.21Å; D114-R140 IonicContact OD1-CZ 3.61Å; D114-R140 IonicContact OD1-NE 3.64Å; D114-R140 PolarHBondContact OD1-NE 3.17Å; D114-R140 IonicContact OD1-NH2 2.82Å; D114-R140 PolarHBondContact OD1-NH2 3.48Å; D114-R140 WeakPolarHBondContact OD2-CB 3.09Å; D114-R140 IonicContact OD2-CZ 2.67Å; D114-R140 IonicContact OD2-NE 3.74Å; D114-R140 PolarHBondContact OD2-NE 3.41Å; D114-R140 IonicContact OD2-NH2 3.59Å; R140-A172 PolarHBondContact NH1-O 2.93Å; R140-L174 HydrophobicContact CG-CD2 4.42Å
141A93.7Very high85.3Confident23 Ų2356.3 Ų56.319%0.1931%0.305CS..EExtended strand (participates in β ladder)trans-75.6162.6173.300000111.9W108 L109 K143 F240W108-A141 HydrophobicContact CE3-CB 4.46Å; L109-A141 CarbonylContact O-C 3.26Å; L109-A141 VanDerWaalsContact O-CA 3.23Å; L109-A141 WeakPolarHBondContact O-CA 3.32Å; A141-K143 PolarHBondContact O-N 2.82Å; A141-F240 HydrophobicContact CB-CE1 4.29Å; A141-F240 HydrophobicContact CB-CZ 4.23Å
142T89.9Confident87Confident30 Ų3052.1 Ų52.118%0.18429%0.289CS..SBendtrans-70.7-14.9175.252.40000113L109 N111 S267L109-T142 HydrophobicContact CB-CG2 4.23Å; L109-T142 PolarHBondContact N-OG1 2.98Å; L109-T142 PolarHBondContact O-N 3.04Å; L109-T142 PolarHBondContact O-OG1 2.69Å; N111-T142 HydrophobicContact CB-CG2 3.91Å; T142-S267 WeakPolarHBondContact O-CB 3.28Å; T142-S267 PolarHBondContact O-N 3.34Å
143K91.8Very high88.6Confident34 Ų3450 Ų5015%0.14828%0.277CS..EExtended strand (participates in β ladder)trans-138.9161.9-178.7-53-172.2-175.9-171.30110.8Y105 K106 W108 A141 T264 V265 D266Y105-K143 PolarHBondContact O-NZ 2.78Å; K106-K143 PolarHBondContact O-NZ 3.11Å; W108-K143 HydrophobicContact CD2-CB 3.96Å; W108-K143 HydrophobicContact CD2-CD 4.41Å; W108-K143 HydrophobicContact CE3-CB 3.85Å; W108-K143 HydrophobicContact CH2-CB 3.66Å; W108-K143 HydrophobicContact CZ2-CB 3.81Å; W108-K143 VanDerWaalsContact CZ3-C 3.43Å; W108-K143 HydrophobicContact CZ3-CB 3.7Å; W108-K143 WeakPolarHBondContact CZ3-O 3.33Å; A141-K143 PolarHBondContact O-N 2.82Å; K143-T264 HydrophobicContact CB-CG2 4.19Å; K143-T264 HydrophobicContact CD-CG2 3.89Å; K143-V265 CarbonylContact C-O 3.45Å; K143-V265 VanDerWaalsContact CA-O 3.23Å; K143-V265 WeakPolarHBondContact CA-O 3.49Å; K143-D266 WeakPolarHBondContact CD-OD1 3.48Å; K143-D266 WeakPolarHBondContact CE-OD1 3.5Å; K143-D266 WeakPolarHBondContact CG-OD1 3.47Å; K143-D266 IonicContact NZ-OD1 3.62Å
144G93.5Very high90.1Very high31 Ų3145 Ų4532%0.3225%0.253SS..EExtended strand (participates in β ladder)trans-135.5170.6170.900000110.8T264 V265G144-T264 WeakPolarHBondContact O-CA 3.38Å; G144-V265 PolarHBondContact N-O 3.15Å; G144-V265 PolarHBondContact O-N 3.03Å
145V95.3Very high91.3Very high26 Ų2635.4 Ų35.416%0.15821%0.212CC..EExtended strand (participates in β ladder)trans-112.3150.1174.7-70.30000110.9W108 Y151 W167 L214 L216 L256 A259 F263W108-V145 HydrophobicContact CH2-CG1 3.92Å; W108-V145 HydrophobicContact CZ2-CG1 4.1Å; V145-Y151 HydrophobicContact CB-CD2 3.94Å; V145-Y151 HydrophobicContact CB-CE1 4.44Å; V145-Y151 HydrophobicContact CB-CE2 3.83Å; V145-Y151 HydrophobicContact CB-CG 4.28Å; V145-Y151 HydrophobicContact CG1-CD1 3.84Å; V145-Y151 HydrophobicContact CG1-CD2 4.12Å; V145-Y151 HydrophobicContact CG1-CE1 3.84Å; V145-Y151 HydrophobicContact CG1-CE2 4.13Å; V145-Y151 HydrophobicContact CG1-CG 3.96Å; V145-Y151 HydrophobicContact CG2-CD2 3.66Å; V145-Y151 HydrophobicContact CG2-CE2 4.02Å; V145-Y151 HydrophobicContact CG2-CG 4.04Å; V145-W167 HydrophobicContact CG2-CZ3 4.25Å; V145-L214 HydrophobicContact CG2-CD2 3.6Å; V145-L216 HydrophobicContact CG2-CD1 4.47Å; V145-L256 HydrophobicContact CG1-CD2 3.61Å; V145-L256 HydrophobicContact CG2-CD2 4.35Å; V145-A259 HydrophobicContact CG1-CB 3.99Å; V145-F263 CarbonylContact C-O 3.53Å; V145-F263 WeakPolarHBondContact CA-O 3.39Å
146T94.2Very high92.2Very high72 Ų7235.8 Ų35.844%0.44221%0.209SC..  trans-145.3166.6-178.8-168.90000111.5K148 F263 V265T146-K148 PolarHBondContact O-N 3.07Å; T146-F263 PolarHBondContact N-O 3.12Å; T146-F263 WeakPolarHBondContact O-CB 3.01Å; T146-F263 WeakPolarHBondContact O-CD1 3.12Å; T146-F263 WeakPolarHBondContact O-CG 3.46Å; T146-V265 HydrophobicContact CG2-CG2 3.52Å
147G93.1Very high92.4Very high53 Ų5330.5 Ų30.555%0.54619%0.189SC..SBendtrans83.1-108.6176.900000112.4
148K94.2Very high92.4Very high132 Ų13230.9 Ų30.957%0.57419%0.194SC*.SBendtrans-137.1164.7-17065.4172.2-179.9177.70111.6T146 Y151 D217 F263T146-K148 PolarHBondContact O-N 3.07Å; K148-Y151 PolarHBondContact O-OH 3.24Å; K148-Y151 VanDerWaalsContact O-OH 3.07Å; K148-D217 WeakPolarHBondContact CB-OD1 3.42Å; K148-F263 HydrophobicContact CD-CZ 4.15Å; K148-F263 HydrophobicContact CG-CE1 4.03Å; K148-F263 HydrophobicContact CG-CE2 3.76Å; K148-F263 HydrophobicContact CG-CZ 3.48Å; K148-F263 VanDerWaalsContact CG-CZ 3.48Å
149G95.1Very high91.6Very high19 Ų1933.5 Ų33.520%0.19621%0.205CC..SBendtrans106.1-179.4179.300000114.7L216 D217G149-L216 WeakPolarHBondContact O-CB 3.26Å; G149-L216 PolarHBondContact O-N 3.42Å; G149-D217 PolarHBondContact N-OD1 3.37Å
150K97.6Very high90.5Very high56 Ų5634.7 Ų34.724%0.24321%0.207CC..EExtended strand (participates in β ladder)trans-128122.3-169.5-56.1-174-172.1-169.10110.9L214 D215 G252 Y253 V254K150-L214 CarbonylContact C-O 3.52Å; K150-L214 VanDerWaalsContact CA-O 3.29Å; K150-L214 WeakPolarHBondContact CA-O 3.23Å; K150-D215 WeakPolarHBondContact CE-OD2 3.48Å; K150-D215 HydrophobicContact CG-CB 4.26Å; K150-D215 IonicContact NZ-OD2 3.34Å; K150-D215 PolarHBondContact NZ-OD2 2.94Å; K150-G252 WeakPolarHBondContact CB-O 3.47Å; K150-Y253 HydrophobicContact CB-CD1 3.65Å; K150-Y253 HydrophobicContact CB-CD2 4.33Å; K150-Y253 HydrophobicContact CB-CE1 3.82Å; K150-Y253 HydrophobicContact CB-CG 3.91Å; K150-Y253 HydrophobicContact CD-CD2 4.37Å; K150-Y253 HydrophobicContact CD-CE2 4.12Å; K150-Y253 WeakPolarHBondContact O-CA 3.26Å; K150-V254 WeakPolarHBondContact O-CG2 3.23Å; K150-V254 PolarHBondContact O-N 3.01Å
151Y96.8Very high89.3Confident3 Ų333.3 Ų33.31%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-125.2147.6-168.2-57.2-78.2000112.5V145 K148 L213 L214 L216 Y253 V254 L256 A259 F263V145-Y151 HydrophobicContact CB-CD2 3.94Å; V145-Y151 HydrophobicContact CB-CE1 4.44Å; V145-Y151 HydrophobicContact CB-CE2 3.83Å; V145-Y151 HydrophobicContact CB-CG 4.28Å; V145-Y151 HydrophobicContact CG1-CD1 3.84Å; V145-Y151 HydrophobicContact CG1-CD2 4.12Å; V145-Y151 HydrophobicContact CG1-CE1 3.84Å; V145-Y151 HydrophobicContact CG1-CE2 4.13Å; V145-Y151 HydrophobicContact CG1-CG 3.96Å; V145-Y151 HydrophobicContact CG2-CD2 3.66Å; V145-Y151 HydrophobicContact CG2-CE2 4.02Å; V145-Y151 HydrophobicContact CG2-CG 4.04Å; K148-Y151 PolarHBondContact O-OH 3.24Å; K148-Y151 VanDerWaalsContact O-OH 3.07Å; Y151-L213 WeakPolarHBondContact O-CA 3.17Å; Y151-L214 PolarHBondContact N-O 3.18Å; Y151-L214 PolarHBondContact O-N 2.79Å; Y151-L216 HydrophobicContact CD2-CD1 4.35Å; Y151-L216 HydrophobicContact CE2-CD1 3.82Å; Y151-L216 HydrophobicContact CE2-CG 4.36Å; Y151-Y253 WeakPolarHBondContact O-CD1 3.17Å; Y151-V254 CarbonylContact C-O 3.57Å; Y151-V254 WeakPolarHBondContact CA-O 3.41Å; Y151-V254 HydrophobicContact CD1-CG2 3.83Å; Y151-V254 HydrophobicContact CE1-CG2 4.03Å; Y151-L256 HydrophobicContact CD1-CD2 4.33Å; Y151-L256 HydrophobicContact CG-CD2 4.27Å; Y151-A259 HydrophobicContact CD1-CB 3.86Å; Y151-A259 HydrophobicContact CE1-CB 3.5Å; Y151-A259 VanDerWaalsContact CE1-CB 3.5Å; Y151-F263 VanDerWaalsContact OH-CB 3.23Å; Y151-F263 WeakPolarHBondContact OH-CB 3.16Å
152Y95Very high88.6Confident0 Ų035.1 Ų35.10%021%0.208CC..EExtended strand (participates in β ladder)trans-140.1142.6-173.1-177.3-108.3000112.7E154 C212 L213 F245 A249 V254 S255 L256Y152-E154 HydrophobicContact CE1-CG 3.74Å; Y152-E154 VanDerWaalsContact OH-CG 3.24Å; Y152-E154 WeakPolarHBondContact OH-CG 3.48Å; Y152-E154 PolarHBondContact OH-OE1 3.05Å; Y152-C212 WeakPolarHBondContact CA-O 3.33Å; Y152-L213 HydrophobicContact CD2-CD1 4.21Å; Y152-L213 HydrophobicContact CD2-CG 3.92Å; Y152-L213 HydrophobicContact CE2-CD1 4.11Å; Y152-L213 HydrophobicContact CE2-CG 4.3Å; Y152-F245 HydrophobicContact CD1-CD1 4.38Å; Y152-F245 AromaticContact CD1-CD2 3.81Å; Y152-F245 HydrophobicContact CD1-CD2 3.81Å; Y152-F245 HydrophobicContact CD1-CE1 4.16Å; Y152-F245 AromaticContact CD1-CE2 3.55Å; Y152-F245 HydrophobicContact CD1-CE2 3.55Å; Y152-F245 HydrophobicContact CD1-CG 4.22Å; Y152-F245 AromaticContact CD1-CZ 3.73Å; Y152-F245 HydrophobicContact CD1-CZ 3.73Å; Y152-F245 HydrophobicContact CE1-CB 4.31Å; Y152-F245 AromaticContact CE1-CD1 3.97Å; Y152-F245 HydrophobicContact CE1-CD1 3.97Å; Y152-F245 AromaticContact CE1-CD2 3.77Å; Y152-F245 HydrophobicContact CE1-CD2 3.77Å; Y152-F245 HydrophobicContact CE1-CE1 4.16Å; Y152-F245 AromaticContact CE1-CE2 3.98Å; Y152-F245 HydrophobicContact CE1-CE2 3.98Å; Y152-F245 AromaticContact CE1-CG 3.76Å; Y152-F245 HydrophobicContact CE1-CG 3.76Å; Y152-F245 HydrophobicContact CE1-CZ 4.16Å; Y152-A249 HydrophobicContact CD1-CB 3.72Å; Y152-A249 HydrophobicContact CE1-CB 4.21Å; Y152-A249 HydrophobicContact CG-CB 4.16Å; Y152-V254 PolarHBondContact N-O 2.93Å; Y152-S255 WeakPolarHBondContact O-CA 3.16Å; Y152-L256 PolarHBondContact O-N 3.42Å; Y152-L256 VanDerWaalsContact O-N 3.1Å
153Y95.6Very high88.5Confident9 Ų934.2 Ų34.24%0.03520%0.203CC..EExtended strand (participates in β ladder)trans-150.2165.3165.575-84.6000111V155 G166 W167 C212 F238 N239 F240 L256Y153-V155 HydrophobicContact CD2-CG2 3.96Å; Y153-V155 HydrophobicContact CE2-CG2 3.43Å; Y153-V155 VanDerWaalsContact CE2-CG2 3.43Å; Y153-G166 PolarHBondContact OH-N 3.35Å; Y153-G166 PolarHBondContact OH-O 2.8Å; Y153-W167 AromaticContact CD1-CH2 3.7Å; Y153-W167 HydrophobicContact CD1-CH2 3.7Å; Y153-W167 AromaticContact CD1-CZ2 3.57Å; Y153-W167 HydrophobicContact CD1-CZ2 3.57Å; Y153-W167 HydrophobicContact CD1-CZ3 4.45Å; Y153-W167 HydrophobicContact CE1-CD2 4.21Å; Y153-W167 AromaticContact CE1-CE2 3.68Å; Y153-W167 HydrophobicContact CE1-CE3 4.46Å; Y153-W167 AromaticContact CE1-CH2 3.83Å; Y153-W167 HydrophobicContact CE1-CH2 3.83Å; Y153-W167 AromaticContact CE1-CZ2 3.49Å; Y153-W167 HydrophobicContact CE1-CZ2 3.49Å; Y153-W167 VanDerWaalsContact CE1-CZ2 3.49Å; Y153-W167 HydrophobicContact CE1-CZ3 4.29Å; Y153-C212 HydrophobicContact CD1-CB 3.62Å; Y153-C212 HydrophobicContact CD2-CB 4.33Å; Y153-C212 HydrophobicContact CE1-CB 3.18Å; Y153-C212 HydrophobicContact CE2-CB 3.98Å; Y153-C212 HydrophobicContact CG-CB 4.16Å; Y153-C212 VanDerWaalsContact CZ-SG 3.53Å; Y153-C212 PolarHBondContact N-O 2.8Å; Y153-C212 PolarHBondContact O-N 3.14Å; Y153-C212 PolarHBondContact OH-SG 3.15Å; Y153-C212 VanDerWaalsContact OH-SG 3.41Å; Y153-F238 HydrophobicContact CD2-CD1 4.23Å; Y153-F238 AromaticContact CE2-CD1 3.86Å; Y153-F238 HydrophobicContact CE2-CD1 3.86Å; Y153-F238 AromaticContact CE2-CE1 3.95Å; Y153-F238 HydrophobicContact CE2-CE1 3.95Å; Y153-N239 WeakPolarHBondContact CB-O 3.46Å; Y153-F240 HydrophobicContact CD2-CD1 4.33Å; Y153-F240 HydrophobicContact CD2-CE1 4.25Å; Y153-F240 HydrophobicContact CG-CD1 4.27Å; Y153-L256 HydrophobicContact CD1-CD1 3.69Å; Y153-L256 HydrophobicContact CG-CD1 4.05Å
154E93.3Very high88.4Confident3 Ų334.3 Ų34.31%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-117.6149.6178.8-73.2-175.8161.800112.3Y152 T209 I210 N239 F245 V246 Q247Y152-E154 HydrophobicContact CE1-CG 3.74Å; Y152-E154 VanDerWaalsContact OH-CG 3.24Å; Y152-E154 WeakPolarHBondContact OH-CG 3.48Å; Y152-E154 PolarHBondContact OH-OE1 3.05Å; E154-T209 HydrophobicContact CB-CG2 3.88Å; E154-T209 HydrophobicContact CG-CG2 4.06Å; E154-I210 WeakPolarHBondContact CA-O 3.24Å; E154-N239 HydrophobicContact CB-CB 4.44Å; E154-N239 PolarHBondContact N-O 3.03Å; E154-N239 PolarHBondContact O-N 3.42Å; E154-F245 HydrophobicContact CB-CD1 4.1Å; E154-F245 HydrophobicContact CB-CE1 4.46Å; E154-F245 HydrophobicContact CG-CB 4.48Å; E154-F245 HydrophobicContact CG-CD1 3.68Å; E154-F245 HydrophobicContact CG-CE1 4.28Å; E154-F245 HydrophobicContact CG-CG 4.35Å; E154-F245 WeakPolarHBondContact OE2-CA 3.16Å; E154-V246 PolarHBondContact OE1-N 2.84Å; E154-V246 PolarHBondContact OE2-N 3.32Å; E154-Q247 PolarHBondContact OE1-N 2.8Å
155V92.7Very high88.4Confident1 Ų133.1 Ų33.11%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-129.1126.7168.6-1720000109.6Y153 I165 T209 I210 V236 K237 F238Y153-V155 HydrophobicContact CD2-CG2 3.96Å; Y153-V155 HydrophobicContact CE2-CG2 3.43Å; Y153-V155 VanDerWaalsContact CE2-CG2 3.43Å; V155-I165 HydrophobicContact CB-CD1 3.9Å; V155-I165 HydrophobicContact CB-CG2 4.25Å; V155-I165 HydrophobicContact CG1-CG2 3.97Å; V155-I165 HydrophobicContact CG2-CB 4.36Å; V155-I165 HydrophobicContact CG2-CD1 4Å; V155-I165 HydrophobicContact CG2-CG2 4.16Å; V155-T209 CarbonylContact O-C 3.55Å; V155-T209 WeakPolarHBondContact O-CA 3.43Å; V155-I210 PolarHBondContact N-O 2.83Å; V155-I210 PolarHBondContact O-N 3.43Å; V155-V236 HydrophobicContact CG1-CB 3.6Å; V155-V236 HydrophobicContact CG1-CG1 3.91Å; V155-V236 HydrophobicContact CG1-CG2 4.41Å; V155-K237 CarbonylContact C-O 3.58Å; V155-K237 VanDerWaalsContact CA-O 3.32Å; V155-K237 WeakPolarHBondContact CA-O 3.32Å; V155-F238 HydrophobicContact CG1-CD2 4.49Å; V155-F238 HydrophobicContact CG1-CE2 4.35Å; V155-F238 HydrophobicContact CG1-CZ 4.45Å; V155-F238 HydrophobicContact CG2-CD1 3.7Å; V155-F238 HydrophobicContact CG2-CE1 3.67Å; V155-F238 HydrophobicContact CG2-CG 4.25Å; V155-F238 HydrophobicContact CG2-CZ 4.19Å
156T89.9Confident88.4Confident36 Ų3632.7 Ų32.722%0.22119%0.19CC..EExtended strand (participates in β ladder)trans-105.4129.6173.4-59.40000109.5T158 D208 T209 V236 K237T156-T158 HydrophobicContact CG2-CG2 4.44Å; T156-T158 PolarHBondContact O-N 3.48Å; T156-D208 WeakPolarHBondContact CA-O 3.19Å; T156-T209 PolarHBondContact OG1-OG1 3.48Å; T156-V236 CarbonylContact O-C 3.55Å; T156-V236 WeakPolarHBondContact O-CA 3.36Å; T156-K237 PolarHBondContact N-O 2.9Å; T156-K237 PolarHBondContact O-N 2.51Å
157V86.4Confident88.5Confident1 Ų130.7 Ų30.71%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-78.7117.9172.9-1760000108.8D159 F204 G205 N207 D208 A234 E235 V236V157-D159 WeakPolarHBondContact CG1-O 3.48Å; V157-F204 HydrophobicContact CG2-CD2 4Å; V157-F204 HydrophobicContact CG2-CE2 4.14Å; V157-G205 VanDerWaalsContact CB-O 3.26Å; V157-G205 WeakPolarHBondContact CB-O 3.32Å; V157-N207 WeakPolarHBondContact O-CA 3.48Å; V157-N207 PolarHBondContact O-N 3.47Å; V157-D208 PolarHBondContact N-O 2.94Å; V157-A234 HydrophobicContact CG1-CB 3.89Å; V157-E235 CarbonylContact C-O 3.59Å; V157-E235 WeakPolarHBondContact CA-O 3.26Å; V157-V236 HydrophobicContact CG2-CG1 4.12Å
158T80.2Confident88.6Confident49 Ų4930.5 Ų30.530%0.30116%0.164SC..  trans-106.2-13-174.852.60000113.9T156 L206 E235 K237T156-T158 HydrophobicContact CG2-CG2 4.44Å; T156-T158 PolarHBondContact O-N 3.48Å; T158-L206 VanDerWaalsContact O-CD1 3.28Å; T158-L206 WeakPolarHBondContact O-CD1 3.35Å; T158-E235 WeakPolarHBondContact CB-OE1 3.04Å; T158-E235 PolarHBondContact N-O 2.85Å; T158-E235 WeakPolarHBondContact OG1-CB 3.42Å; T158-E235 VanDerWaalsContact OG1-CG 3.26Å; T158-E235 WeakPolarHBondContact OG1-CG 3.38Å; T158-E235 PolarHBondContact OG1-O 3.26Å; T158-E235 PolarHBondContact OG1-OE1 2.82Å; T158-K237 HydrophobicContact CG2-CB 3.91Å
159D71.4Confident88.6Confident70 Ų7027 Ų2737%0.37415%0.154SC..SBendtrans-137153.9172.3-166.28.8000109.3Q129 V157 G161 A234 E235Q129-D159 PolarHBondContact NE2-OD2 2.74Å; V157-D159 WeakPolarHBondContact CG1-O 3.48Å; D159-G161 PolarHBondContact O-N 3.19Å; D159-A234 VanDerWaalsContact O-CA 3.32Å; D159-A234 WeakPolarHBondContact O-CA 3.33Å; D159-E235 HydrophobicContact CB-CB 3.31Å; D159-E235 PolarHBondContact N-O 3.17Å; D159-E235 PolarHBondContact O-N 3.14Å
160D66.9Low88.2Confident51 Ų5129.6 Ų29.627%0.27316%0.163SC..SBendtrans-62.9110.1-171.3-97.8-39.3000111.3L206 L231 K232 N233 A234D160-L206 VanDerWaalsContact OD1-CB 3.3Å; D160-L206 WeakPolarHBondContact OD1-CB 3.46Å; D160-L231 HydrophobicContact CB-CB 4.23Å; D160-L231 VanDerWaalsContact OD1-CB 3.24Å; D160-L231 WeakPolarHBondContact OD1-CB 3.3Å; D160-L231 WeakPolarHBondContact OD1-CD1 3.08Å; D160-K232 CarbonylContact O-C 3.55Å; D160-N233 VanDerWaalsContact C-C 3.47Å; D160-N233 CarbonylContact C-O 3.4Å; D160-N233 CarbonylContact O-C 3.54Å; D160-N233 WeakPolarHBondContact O-CA 3.42Å; D160-N233 PolarHBondContact O-N 3.35Å; D160-A234 PolarHBondContact O-N 2.51Å
161G68.7Low87.7Confident0 Ų033.3 Ų33.30%019%0.186CC..SBendtrans158-154154.300000130.1D159 C163 L231 N233 A234D159-G161 PolarHBondContact O-N 3.19Å; G161-C163 PolarHBondContact O-N 2.81Å; G161-L231 CarbonylContact C-O 3.55Å; G161-L231 WeakPolarHBondContact CA-O 2.79Å; G161-N233 VanDerWaalsContact CA-C 3.42Å; G161-A234 VanDerWaalsContact CA-CB 3.47Å; G161-A234 VanDerWaalsContact O-CB 3.25Å; G161-A234 WeakPolarHBondContact O-CB 3.47Å
162L78.5Confident87.4Confident61 Ų6133.5 Ų33.532%0.31919%0.188SC..  trans-80.399.8-174-69.9-177000109.8W136 T188 K232 N233W136-L162 HydrophobicContact CH2-CB 3.94Å; W136-L162 HydrophobicContact CZ2-CB 4.45Å; L162-T188 HydrophobicContact CD2-CG2 3.86Å; L162-K232 HydrophobicContact CD1-CG 4.29Å; L162-K232 HydrophobicContact CD2-CG 4.38Å; L162-K232 HydrophobicContact CG-CB 4.48Å; L162-K232 HydrophobicContact CG-CG 3.98Å; L162-N233 VanDerWaalsContact N-N 3.19Å
163C87.3Confident87.1Confident12 Ų1236.3 Ų36.38%0.08121%0.207CC..  trans-114160167.8580000110.4G161 G186 G187 F204 A234 V236G161-C163 PolarHBondContact O-N 2.81Å; C163-G186 VanDerWaalsContact O-CA 3.31Å; C163-G186 WeakPolarHBondContact O-CA 3.15Å; C163-G187 PolarHBondContact O-N 3.09Å; C163-F204 VanDerWaalsContact SG-CE2 3.59Å; C163-A234 HydrophobicContact CB-CB 3.87Å; C163-V236 HydrophobicContact CB-CG1 3.93Å
164R91.1Very high86.8Confident36 Ų3638 Ų3814%0.13622%0.217CC..EExtended strand (participates in β ladder)trans-129132.3164.1-82.9179.5-79.6166-3.4107.1W136 N175 L176 Y185W136-R164 VanDerWaalsContact CE3-NH2 3.27Å; W136-R164 HydrophobicContact CH2-CG 4.25Å; W136-R164 HydrophobicContact CZ3-CB 4.39Å; W136-R164 HydrophobicContact CZ3-CG 4.17Å; R164-N175 PolarHBondContact NH1-OD1 3.23Å; R164-N175 PolarHBondContact NH2-OD1 2.88Å; R164-L176 HydrophobicContact CB-CD2 4.44Å; R164-L176 PolarHBondContact NH1-O 2.78Å; R164-Y185 WeakPolarHBondContact CA-O 3.26Å
165I94Very high86.6Confident5 Ų540.1 Ų40.13%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-127.7157.217963.5170.1000109.4V155 L176 G184 Y185 F204 I210V155-I165 HydrophobicContact CB-CD1 3.9Å; V155-I165 HydrophobicContact CB-CG2 4.25Å; V155-I165 HydrophobicContact CG1-CG2 3.97Å; V155-I165 HydrophobicContact CG2-CB 4.36Å; V155-I165 HydrophobicContact CG2-CD1 4Å; V155-I165 HydrophobicContact CG2-CG2 4.16Å; I165-L176 VanDerWaalsContact C-CD2 3.43Å; I165-G184 CarbonylContact O-C 3.6Å; I165-G184 WeakPolarHBondContact O-CA 3.37Å; I165-Y185 PolarHBondContact N-O 2.62Å; I165-Y185 PolarHBondContact O-N 3.41Å; I165-F204 HydrophobicContact CG1-CZ 4.46Å; I165-I210 HydrophobicContact CD1-CB 3.49Å; I165-I210 VanDerWaalsContact CD1-CB 3.49Å; I165-I210 HydrophobicContact CD1-CG1 4.07Å; I165-I210 HydrophobicContact CD1-CG2 3.53Å
166G94.6Very high86.6Confident17 Ų1741.3 Ų41.318%0.17523%0.234CC..EExtended strand (participates in β ladder)trans150.6-151.717600000112.4Y153 F183Y153-G166 PolarHBondContact OH-N 3.35Å; Y153-G166 PolarHBondContact OH-O 2.8Å; G166-F183 WeakPolarHBondContact CA-O 3.21Å
167W96.7Very high86.5Confident31 Ų3139.6 Ų39.612%0.11722%0.224CC..EExtended strand (participates in β ladder)trans-112.7144.1-168.5-59.291.5000110.5V145 Y153 F183 C212 L213 L214 I221 L256V145-W167 HydrophobicContact CG2-CZ3 4.25Å; Y153-W167 AromaticContact CD1-CH2 3.7Å; Y153-W167 HydrophobicContact CD1-CH2 3.7Å; Y153-W167 AromaticContact CD1-CZ2 3.57Å; Y153-W167 HydrophobicContact CD1-CZ2 3.57Å; Y153-W167 HydrophobicContact CD1-CZ3 4.45Å; Y153-W167 HydrophobicContact CE1-CD2 4.21Å; Y153-W167 AromaticContact CE1-CE2 3.68Å; Y153-W167 HydrophobicContact CE1-CE3 4.46Å; Y153-W167 AromaticContact CE1-CH2 3.83Å; Y153-W167 HydrophobicContact CE1-CH2 3.83Å; Y153-W167 AromaticContact CE1-CZ2 3.49Å; Y153-W167 HydrophobicContact CE1-CZ2 3.49Å; Y153-W167 VanDerWaalsContact CE1-CZ2 3.49Å; Y153-W167 HydrophobicContact CE1-CZ3 4.29Å; W167-F183 PolarHBondContact N-O 3.45Å; W167-F183 PolarHBondContact O-N 3.06Å; W167-C212 HydrophobicContact CZ2-CB 4.46Å; W167-L213 PolarHBondContact NE1-O 3.46Å; W167-L214 HydrophobicContact CD2-CB 4Å; W167-L214 HydrophobicContact CD2-CD2 4.03Å; W167-L214 HydrophobicContact CD2-CG 4.49Å; W167-L214 HydrophobicContact CE3-CB 4.37Å; W167-L214 HydrophobicContact CE3-CD2 3.73Å; W167-L214 HydrophobicContact CH2-CB 3.92Å; W167-L214 HydrophobicContact CH2-CD2 4.23Å; W167-L214 HydrophobicContact CZ2-CB 3.52Å; W167-L214 HydrophobicContact CZ3-CB 4.33Å; W167-L214 HydrophobicContact CZ3-CD2 3.84Å; W167-I221 HydrophobicContact CB-CD1 4.1Å; W167-I221 HydrophobicContact CG-CD1 4.46Å; W167-L256 HydrophobicContact CH2-CD1 3.81Å; W167-L256 HydrophobicContact CH2-CD2 3.89Å; W167-L256 HydrophobicContact CH2-CG 4.13Å; W167-L256 HydrophobicContact CZ3-CD1 4.05Å; W167-L256 HydrophobicContact CZ3-CD2 4.1Å
168S94.9Very high86.6Confident49 Ų4940.6 Ų40.634%0.34323%0.23SC..EExtended strand (participates in β ladder)trans-146.2152.1175.560.60000110.5E181S168-E181 WeakPolarHBondContact CA-O 3.4Å
169T92.9Very high87.1Confident57 Ų5740 Ų4035%0.3523%0.225SC..  trans-78.6168.1163.181.80000109.7N171 A172 E181T169-N171 PolarHBondContact O-N 3.28Å; T169-N171 PolarHBondContact OG1-N 2.88Å; T169-A172 WeakPolarHBondContact O-CB 3.3Å; T169-A172 PolarHBondContact O-N 2.9Å; T169-E181 WeakPolarHBondContact CB-OE2 3.19Å; T169-E181 VanDerWaalsContact CG2-OE2 3.22Å; T169-E181 WeakPolarHBondContact CG2-OE2 2.94Å; T169-E181 PolarHBondContact N-O 3.09Å; T169-E181 WeakPolarHBondContact OG1-CB 3.12Å; T169-E181 PolarHBondContact OG1-OE2 2.85Å
170L87.7Confident88Confident74 Ų7438 Ų3839%0.38722%0.222SC..THydrogen-bonded Turntrans-63.5-18.3175-71.3170.9000113.3I269L170-I269 HydrophobicContact CD2-CD1 4.34Å
171N87.7Confident89.3Confident135 Ų13539.3 Ų39.372%0.72223%0.226SC*.THydrogen-bonded Turntrans-87.4-6.8-179.2-64.1-31.6000113.2T169 E181T169-N171 PolarHBondContact O-N 3.28Å; T169-N171 PolarHBondContact OG1-N 2.88Å; N171-E181 HydrophobicContact CB-CG 4.12Å
172A89.5Confident90.4Very high7 Ų739.3 Ų39.36%0.05823%0.226CC..SBendtrans-67.4154.2179.400000112.3R140 T169 E181R140-A172 PolarHBondContact NH1-O 2.93Å; T169-A172 WeakPolarHBondContact O-CB 3.3Å; T169-A172 PolarHBondContact O-N 2.9Å; A172-E181 HydrophobicContact CB-CB 3.73Å
173S88.8Confident91.2Very high58 Ų5840.1 Ų40.141%0.40623%0.227SC..  trans-63.8149.9160.5-178.90000110.2N175 D179S173-N175 PolarHBondContact O-N 2.94Å; S173-N175 PolarHBondContact OG-N 3.15Å; S173-N175 VanDerWaalsContact OG-N 3.14Å; S173-D179 WeakPolarHBondContact CA-OD2 3.41Å; S173-D179 WeakPolarHBondContact CB-OD2 3.25Å; S173-D179 PolarHBondContact N-OD2 3.3Å
174L89.9Confident91.4Very high46 Ų4639.6 Ų39.624%0.24122%0.224CC..SBendtrans-70.6-4.9170.3-67.4165.6000112.3R115 G138 R140 L176R115-L174 VanDerWaalsContact C-CD1 3.44Å; G138-L174 VanDerWaalsContact CA-O 3.24Å; G138-L174 WeakPolarHBondContact CA-O 3.42Å; G138-L174 PolarHBondContact N-O 3.19Å; R140-L174 HydrophobicContact CG-CD2 4.42Å; L174-L176 PolarHBondContact O-N 3.04Å
175N89.6Confident91.5Very high46 Ų4638.3 Ų38.325%0.24622%0.219CC..SBendtrans-90.478.7167.7-166.8-9.5000110R164 S173 G177 T178R164-N175 PolarHBondContact NH1-OD1 3.23Å; R164-N175 PolarHBondContact NH2-OD1 2.88Å; S173-N175 PolarHBondContact O-N 2.94Å; S173-N175 PolarHBondContact OG-N 3.15Å; S173-N175 VanDerWaalsContact OG-N 3.14Å; N175-G177 PolarHBondContact O-N 3.26Å; N175-T178 HydrophobicContact CB-CG2 4.09Å; N175-T178 VanDerWaalsContact CG-CG2 3.42Å; N175-T178 WeakPolarHBondContact O-CB 3.28Å; N175-T178 WeakPolarHBondContact O-CG2 3.22Å; N175-T178 PolarHBondContact O-N 2.98Å; N175-T178 PolarHBondContact O-OG1 3.34Å; N175-T178 WeakPolarHBondContact OD1-CG2 3.24Å
176L91.5Very high91.3Very high26 Ų2638.3 Ų38.314%0.13622%0.22CC..THydrogen-bonded Turntrans-50.8127.8-170.1-177.365.9000113.7R164 I165 L174R164-L176 HydrophobicContact CB-CD2 4.44Å; R164-L176 PolarHBondContact NH1-O 2.78Å; I165-L176 VanDerWaalsContact C-CD2 3.43Å; L174-L176 PolarHBondContact O-N 3.04Å
177G87.7Confident90.8Very high0 Ų037.9 Ų37.90%022%0.216CC..THydrogen-bonded Turntrans89.7-1.1178.100000115.2N175 G182 S192 F193 Q194 N195N175-G177 PolarHBondContact O-N 3.26Å; G177-G182 WeakPolarHBondContact CA-O 3.33Å; G177-S192 WeakPolarHBondContact CA-O 3.43Å; G177-F193 CarbonylContact O-C 3.56Å; G177-F193 VanDerWaalsContact O-C 3.25Å; G177-F193 VanDerWaalsContact O-CA 3.31Å; G177-F193 WeakPolarHBondContact O-CA 3.39Å; G177-F193 PolarHBondContact O-N 2.83Å; G177-Q194 PolarHBondContact O-N 3.47Å; G177-N195 PolarHBondContact O-N 2.96Å; G177-N195 VanDerWaalsContact O-N 3.07Å
178T88.7Confident90.3Very high23 Ų2339.8 Ų39.814%0.14123%0.231CC..SBendtrans-88.8-13.9179.861.80000114.4N175 N195N175-T178 HydrophobicContact CB-CG2 4.09Å; N175-T178 VanDerWaalsContact CG-CG2 3.42Å; N175-T178 WeakPolarHBondContact O-CB 3.28Å; N175-T178 WeakPolarHBondContact O-CG2 3.22Å; N175-T178 PolarHBondContact O-N 2.98Å; N175-T178 PolarHBondContact O-OG1 3.34Å; N175-T178 WeakPolarHBondContact OD1-CG2 3.24Å; T178-N195 VanDerWaalsContact CA-OD1 3.32Å; T178-N195 WeakPolarHBondContact CA-OD1 3.17Å; T178-N195 WeakPolarHBondContact CB-OD1 3.28Å; T178-N195 WeakPolarHBondContact CG2-OD1 3.5Å; T178-N195 PolarHBondContact O-N 3.5Å; T178-N195 PolarHBondContact O-ND2 3.34Å
179D90.2Very high89.9Confident35 Ų3537.5 Ų37.519%0.18722%0.215CC..SBendtrans-125.2-175.1179.957.951.4000111.7S173 E181 G182 Q194S173-D179 WeakPolarHBondContact CA-OD2 3.41Å; S173-D179 WeakPolarHBondContact CB-OD2 3.25Å; S173-D179 PolarHBondContact N-OD2 3.3Å; D179-E181 VanDerWaalsContact C-N 3.28Å; D179-E181 PolarHBondContact O-N 3.19Å; D179-E181 WeakPolarHBondContact OD1-CA 3.34Å; D179-E181 WeakPolarHBondContact OD1-CB 3.37Å; D179-E181 PolarHBondContact OD1-N 2.87Å; D179-G182 PolarHBondContact OD1-N 3.04Å; D179-Q194 WeakPolarHBondContact O-CA 3.43Å; D179-Q194 WeakPolarHBondContact O-CG 3.33Å; D179-Q194 PolarHBondContact O-N 3.45Å
180G90.8Very high89.8Confident30 Ų3038.2 Ų38.231%0.30921%0.214SC..SBendtrans-82.64.1-18000000115.6F193 Q194G180-F193 WeakPolarHBondContact O-CE2 3.33Å; G180-Q194 VanDerWaalsContact CA-CG 3.47Å
181E93.9Very high90Very high77 Ų7739 Ų3936%0.3621%0.214SC..SBendtrans-120.7-11.6-170.8-65.4-66.4150.700112.3S168 T169 N171 A172 D179S168-E181 WeakPolarHBondContact CA-O 3.4Å; T169-E181 WeakPolarHBondContact CB-OE2 3.19Å; T169-E181 VanDerWaalsContact CG2-OE2 3.22Å; T169-E181 WeakPolarHBondContact CG2-OE2 2.94Å; T169-E181 PolarHBondContact N-O 3.09Å; T169-E181 WeakPolarHBondContact OG1-CB 3.12Å; T169-E181 PolarHBondContact OG1-OE2 2.85Å; N171-E181 HydrophobicContact CB-CG 4.12Å; A172-E181 HydrophobicContact CB-CB 3.73Å; D179-E181 VanDerWaalsContact C-N 3.28Å; D179-E181 PolarHBondContact O-N 3.19Å; D179-E181 WeakPolarHBondContact OD1-CA 3.34Å; D179-E181 WeakPolarHBondContact OD1-CB 3.37Å; D179-E181 PolarHBondContact OD1-N 2.87Å
182G92.3Very high90.1Very high0 Ų032.8 Ų32.80%018%0.181CC..EExtended strand (participates in β ladder)trans-119.8136177.400000113.5G177 D179G177-G182 WeakPolarHBondContact CA-O 3.33Å; D179-G182 PolarHBondContact OD1-N 3.04Å
183F95.2Very high90.3Very high79 Ų7935.7 Ų35.735%0.34619%0.193SC..EExtended strand (participates in β ladder)trans-119.9110.3178.7-58.4-93.2000109.4G166 W167 F193 I221G166-F183 WeakPolarHBondContact CA-O 3.21Å; W167-F183 PolarHBondContact N-O 3.45Å; W167-F183 PolarHBondContact O-N 3.06Å; F183-F193 HydrophobicContact CD1-CB 4.33Å; F183-F193 AromaticContact CD1-CD2 3.51Å; F183-F193 HydrophobicContact CD1-CD2 3.51Å; F183-F193 HydrophobicContact CD1-CE2 4.03Å; F183-F193 HydrophobicContact CD1-CG 4.09Å; F183-F193 AromaticContact CE1-CD2 3.28Å; F183-F193 HydrophobicContact CE1-CD2 3.28Å; F183-F193 AromaticContact CE1-CE2 3.33Å; F183-F193 HydrophobicContact CE1-CE2 3.33Å; F183-F193 AromaticContact CE1-CG 3.96Å; F183-F193 HydrophobicContact CE1-CG 3.96Å; F183-F193 HydrophobicContact CE1-CZ 4.06Å; F183-F193 HydrophobicContact CE2-CD2 4.48Å; F183-F193 HydrophobicContact CE2-CE2 4.2Å; F183-F193 HydrophobicContact CG-CD2 4.22Å; F183-F193 AromaticContact CZ-CD2 3.82Å; F183-F193 HydrophobicContact CZ-CD2 3.82Å; F183-F193 AromaticContact CZ-CE2 3.43Å; F183-F193 HydrophobicContact CZ-CE2 3.43Å; F183-F193 VanDerWaalsContact CZ-CE2 3.43Å; F183-F193 HydrophobicContact CZ-CZ 4.19Å; F183-I221 HydrophobicContact CB-CD1 3.61Å; F183-I221 HydrophobicContact CD1-CD1 4.09Å; F183-I221 HydrophobicContact CD2-CD1 3.62Å; F183-I221 HydrophobicContact CE2-CD1 4.3Å; F183-I221 HydrophobicContact CG-CD1 3.5Å
184G92.5Very high90.5Very high1 Ų137.9 Ų37.91%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-113.3146.9-175.900000113.6I165 K191 S192I165-G184 CarbonylContact O-C 3.6Å; I165-G184 WeakPolarHBondContact O-CA 3.37Å; G184-K191 CarbonylContact O-C 3.5Å; G184-K191 WeakPolarHBondContact O-CA 3.44Å; G184-S192 VanDerWaalsContact C-OG 3.29Å; G184-S192 VanDerWaalsContact CA-OG 3.31Å; G184-S192 WeakPolarHBondContact CA-OG 3.24Å; G184-S192 PolarHBondContact N-O 3Å; G184-S192 PolarHBondContact O-N 2.94Å; G184-S192 PolarHBondContact O-OG 2.75Å
185Y93Very high90.4Very high8 Ų840.6 Ų40.63%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-116.8120.9165-178.7-131.6000108.9R164 I165 K190 F200 E202 F204 I210 F223R164-Y185 WeakPolarHBondContact CA-O 3.26Å; I165-Y185 PolarHBondContact N-O 2.62Å; I165-Y185 PolarHBondContact O-N 3.41Å; Y185-K190 WeakPolarHBondContact CD2-O 2.99Å; Y185-F200 AromaticContact CD2-CD1 3.99Å; Y185-F200 HydrophobicContact CD2-CD1 3.99Å; Y185-F200 AromaticContact CE2-CD1 3.82Å; Y185-F200 HydrophobicContact CE2-CD1 3.82Å; Y185-E202 PolarHBondContact OH-N 3.13Å; Y185-E202 PolarHBondContact OH-O 3.36Å; Y185-F204 HydrophobicContact CD1-CD1 4.24Å; Y185-F204 AromaticContact CD1-CE1 3.48Å; Y185-F204 HydrophobicContact CD1-CE1 3.48Å; Y185-F204 VanDerWaalsContact CD1-CE1 3.48Å; Y185-F204 HydrophobicContact CD1-CZ 4.19Å; Y185-F204 AromaticContact CE1-CD1 3.64Å; Y185-F204 HydrophobicContact CE1-CD1 3.64Å; Y185-F204 AromaticContact CE1-CE1 3.35Å; Y185-F204 HydrophobicContact CE1-CE1 3.35Å; Y185-F204 HydrophobicContact CE1-CZ 4.4Å; Y185-F204 HydrophobicContact CE2-CE1 4.5Å; Y185-F204 HydrophobicContact CG-CE1 4.12Å; Y185-F204 AromaticContact CZ-CE1 3.91Å; Y185-I210 HydrophobicContact CD1-CG2 4.01Å; Y185-I210 HydrophobicContact CE1-CG2 4.18Å; Y185-F223 HydrophobicContact CD1-CB 3.79Å; Y185-F223 AromaticContact CD1-CD1 3.91Å; Y185-F223 HydrophobicContact CD1-CD1 3.91Å; Y185-F223 HydrophobicContact CD1-CD2 4.35Å; Y185-F223 AromaticContact CD1-CG 3.75Å; Y185-F223 HydrophobicContact CD1-CG 3.75Å; Y185-F223 HydrophobicContact CE1-CB 4.13Å; Y185-F223 HydrophobicContact CG-CB 4.31Å; Y185-F223 HydrophobicContact CG-CD1 4.13Å; Y185-F223 HydrophobicContact CG-CD2 4.02Å; Y185-F223 HydrophobicContact CG-CE1 4.47Å; Y185-F223 HydrophobicContact CG-CE2 4.39Å; Y185-F223 AromaticContact CG-CG 3.88Å; Y185-F223 HydrophobicContact CG-CG 3.88Å
186G89.7Confident90.4Very high6 Ų644.9 Ų44.96%0.06223%0.227CC..EExtended strand (participates in β ladder)trans-101.2152.6-173.600000113.3C163 T188 G189 K190 F204C163-G186 VanDerWaalsContact O-CA 3.31Å; C163-G186 WeakPolarHBondContact O-CA 3.15Å; G186-T188 PolarHBondContact O-N 3.37Å; G186-G189 PolarHBondContact O-N 3.18Å; G186-K190 PolarHBondContact N-O 2.76Å; G186-F204 WeakPolarHBondContact O-CE1 3.07Å
187G84.6Confident90.4Very high8 Ų847.9 Ų47.98%0.08224%0.24CC..THydrogen-bonded Turntrans-55-11.3177.600000115.4C163 G189 A203 F204C163-G187 PolarHBondContact O-N 3.09Å; G187-G189 VanDerWaalsContact C-N 3.33Å; G187-A203 CarbonylContact O-C 3.56Å; G187-A203 WeakPolarHBondContact O-CA 3.47Å; G187-A203 VanDerWaalsContact O-CB 3.29Å; G187-A203 WeakPolarHBondContact O-CB 3.29Å; G187-F204 CarbonylContact C-O 3.59Å; G187-F204 WeakPolarHBondContact CA-O 3.5Å; G187-F204 PolarHBondContact O-N 2.84Å
188T85.2Confident90.5Very high70 Ų7051.9 Ų51.943%0.42926%0.261SS..THydrogen-bonded Turntrans-84-0172.658.60000114.6L162 G186L162-T188 HydrophobicContact CD2-CG2 3.86Å; G186-T188 PolarHBondContact O-N 3.37Å
189G86.7Confident90.6Very high2 Ų257.2 Ų57.22%0.02129%0.289CS..THydrogen-bonded Turntrans87.513.1-17900000114G186 G187 F200 G201 E202G186-G189 PolarHBondContact O-N 3.18Å; G187-G189 VanDerWaalsContact C-N 3.33Å; G189-F200 PolarHBondContact O-N 2.74Å; G189-G201 WeakPolarHBondContact CA-O 3.27Å; G189-G201 PolarHBondContact O-N 3.41Å; G189-G201 VanDerWaalsContact O-O 3.1Å; G189-E202 WeakPolarHBondContact CA-O 3.45Å
190K89.9Confident90.4Very high72 Ų7260.2 Ų60.231%0.31330%0.3SS..EExtended strand (participates in β ladder)trans-105.5137.1-175.6-62.9-168.5174.1-152.40112.1Y185 G186 F197 D198 D199Y185-K190 WeakPolarHBondContact CD2-O 2.99Å; G186-K190 PolarHBondContact N-O 2.76Å; K190-F197 HydrophobicContact CD-CB 4.12Å; K190-D198 CarbonylContact C-O 3.56Å; K190-D198 VanDerWaalsContact CA-O 3.23Å; K190-D198 WeakPolarHBondContact CA-O 3.23Å; K190-D198 WeakPolarHBondContact CB-O 3.42Å; K190-D199 WeakPolarHBondContact CE-OD1 3.48Å; K190-D199 IonicContact NZ-OD1 2.69Å
191K91.9Very high90.1Very high89 Ų8960.8 Ų60.839%0.38731%0.306SS..EExtended strand (participates in β ladder)trans-82.7148.7163.669-179.1174.4178.80109.5G184 F197 D198 F200G184-K191 CarbonylContact O-C 3.5Å; G184-K191 WeakPolarHBondContact O-CA 3.44Å; K191-F197 CarbonylContact O-C 3.52Å; K191-F197 WeakPolarHBondContact O-CA 3.48Å; K191-D198 HydrophobicContact CG-CB 4.03Å; K191-D198 PolarHBondContact N-O 2.95Å; K191-D198 PolarHBondContact O-N 2.85Å; K191-F200 HydrophobicContact CB-CB 3.8Å; K191-F200 HydrophobicContact CB-CD1 4.42Å; K191-F200 HydrophobicContact CB-CD2 4.49Å; K191-F200 HydrophobicContact CB-CG 3.99Å; K191-F200 HydrophobicContact CD-CB 4.01Å; K191-F200 HydrophobicContact CD-CD2 3.75Å; K191-F200 HydrophobicContact CD-CG 4.04Å; K191-F200 HydrophobicContact CG-CB 3.81Å; K191-F200 HydrophobicContact CG-CD2 4.44Å; K191-F200 HydrophobicContact CG-CG 4.23Å
192S91.5Very high89.6Confident5 Ų563.4 Ų63.44%0.03532%0.318CS..EExtended strand (participates in β ladder)trans-136.6127.9-174.754.80000112G177 G184 K196G177-S192 WeakPolarHBondContact CA-O 3.43Å; G184-S192 VanDerWaalsContact C-OG 3.29Å; G184-S192 VanDerWaalsContact CA-OG 3.31Å; G184-S192 WeakPolarHBondContact CA-OG 3.24Å; G184-S192 PolarHBondContact N-O 3Å; G184-S192 PolarHBondContact O-N 2.94Å; G184-S192 PolarHBondContact O-OG 2.75Å; S192-K196 VanDerWaalsContact CA-O 3.25Å; S192-K196 WeakPolarHBondContact CA-O 3.35Å
193F92.4Very high89.2Confident69 Ų6964.2 Ų64.230%0.30333%0.325SS..EExtended strand (participates in β ladder)trans-157134.3177.2176.5-110000109.4G177 G180 F183 N195 K196G177-F193 CarbonylContact O-C 3.56Å; G177-F193 VanDerWaalsContact O-C 3.25Å; G177-F193 VanDerWaalsContact O-CA 3.31Å; G177-F193 WeakPolarHBondContact O-CA 3.39Å; G177-F193 PolarHBondContact O-N 2.83Å; G180-F193 WeakPolarHBondContact O-CE2 3.33Å; F183-F193 HydrophobicContact CD1-CB 4.33Å; F183-F193 AromaticContact CD1-CD2 3.51Å; F183-F193 HydrophobicContact CD1-CD2 3.51Å; F183-F193 HydrophobicContact CD1-CE2 4.03Å; F183-F193 HydrophobicContact CD1-CG 4.09Å; F183-F193 AromaticContact CE1-CD2 3.28Å; F183-F193 HydrophobicContact CE1-CD2 3.28Å; F183-F193 AromaticContact CE1-CE2 3.33Å; F183-F193 HydrophobicContact CE1-CE2 3.33Å; F183-F193 AromaticContact CE1-CG 3.96Å; F183-F193 HydrophobicContact CE1-CG 3.96Å; F183-F193 HydrophobicContact CE1-CZ 4.06Å; F183-F193 HydrophobicContact CE2-CD2 4.48Å; F183-F193 HydrophobicContact CE2-CE2 4.2Å; F183-F193 HydrophobicContact CG-CD2 4.22Å; F183-F193 AromaticContact CZ-CD2 3.82Å; F183-F193 HydrophobicContact CZ-CD2 3.82Å; F183-F193 AromaticContact CZ-CE2 3.43Å; F183-F193 HydrophobicContact CZ-CE2 3.43Å; F183-F193 VanDerWaalsContact CZ-CE2 3.43Å; F183-F193 HydrophobicContact CZ-CZ 4.19Å; F193-N195 VanDerWaalsContact C-N 3.29Å; F193-N195 PolarHBondContact O-N 3.22Å; F193-K196 PolarHBondContact N-O 2.86Å; F193-K196 VanDerWaalsContact N-O 3.12Å; F193-K196 WeakPolarHBondContact O-CB 3.47Å; F193-K196 PolarHBondContact O-N 3.38Å
194Q92.6Very high88.6Confident104 Ų10460.5 Ų60.549%0.48631%0.309SS..THydrogen-bonded Turntrans48.244.9-178-66.1-176.8-8.800114.3G177 D179 G180 K196G177-Q194 PolarHBondContact O-N 3.47Å; D179-Q194 WeakPolarHBondContact O-CA 3.43Å; D179-Q194 WeakPolarHBondContact O-CG 3.33Å; D179-Q194 PolarHBondContact O-N 3.45Å; G180-Q194 VanDerWaalsContact CA-CG 3.47Å; Q194-K196 PolarHBondContact O-N 3.18Å; Q194-K196 VanDerWaalsContact O-N 3.08Å
195N88.4Confident88Confident103 Ų10360.5 Ų60.555%0.55131%0.309SS*.THydrogen-bonded Turntrans60.812.9-176.7-75.8-47.4000114.9G177 T178 F193 F197G177-N195 PolarHBondContact O-N 2.96Å; G177-N195 VanDerWaalsContact O-N 3.07Å; T178-N195 VanDerWaalsContact CA-OD1 3.32Å; T178-N195 WeakPolarHBondContact CA-OD1 3.17Å; T178-N195 WeakPolarHBondContact CB-OD1 3.28Å; T178-N195 WeakPolarHBondContact CG2-OD1 3.5Å; T178-N195 PolarHBondContact O-N 3.5Å; T178-N195 PolarHBondContact O-ND2 3.34Å; F193-N195 VanDerWaalsContact C-N 3.29Å; F193-N195 PolarHBondContact O-N 3.22Å; N195-F197 WeakPolarHBondContact O-CD2 3.46Å; N195-F197 WeakPolarHBondContact O-CE2 3.25Å
196K90.4Very high87.4Confident135 Ų13562.7 Ų62.759%0.58732%0.321SS*.EExtended strand (participates in β ladder)trans-96.1133.2170.2-62.6-178.1-179.91770109.5S192 F193 Q194S192-K196 VanDerWaalsContact CA-O 3.25Å; S192-K196 WeakPolarHBondContact CA-O 3.35Å; F193-K196 PolarHBondContact N-O 2.86Å; F193-K196 VanDerWaalsContact N-O 3.12Å; F193-K196 WeakPolarHBondContact O-CB 3.47Å; F193-K196 PolarHBondContact O-N 3.38Å; Q194-K196 PolarHBondContact O-N 3.18Å; Q194-K196 VanDerWaalsContact O-N 3.08Å
197F90.8Very high87Confident89 Ų8968.3 Ų68.339%0.3935%0.35SS..EExtended strand (participates in β ladder)trans-124.691-175-62.6-93.6000110K190 K191 N195K190-F197 HydrophobicContact CD-CB 4.12Å; K191-F197 CarbonylContact O-C 3.52Å; K191-F197 WeakPolarHBondContact O-CA 3.48Å; N195-F197 WeakPolarHBondContact O-CD2 3.46Å; N195-F197 WeakPolarHBondContact O-CE2 3.25Å
198D90.2Very high87Confident85 Ų8568.1 Ų68.146%0.45535%0.347SS..EExtended strand (participates in β ladder)trans-96.1144.9-175.7-56.6-39.3000110.9K190 K191 F200K190-D198 CarbonylContact C-O 3.56Å; K190-D198 VanDerWaalsContact CA-O 3.23Å; K190-D198 WeakPolarHBondContact CA-O 3.23Å; K190-D198 WeakPolarHBondContact CB-O 3.42Å; K191-D198 HydrophobicContact CG-CB 4.03Å; K191-D198 PolarHBondContact N-O 2.95Å; K191-D198 PolarHBondContact O-N 2.85Å; D198-F200 PolarHBondContact O-N 3.22Å
199D90.7Very high87.1Confident135 Ų13565.2 Ų65.272%0.72233%0.329SS*.EExtended strand (participates in β ladder)trans-62.3131.6169.5-62.1-34.6000109.2K190K190-D199 WeakPolarHBondContact CE-OD1 3.48Å; K190-D199 IonicContact NZ-OD1 2.69Å
200F85.8Confident87.4Confident97 Ų9765.1 Ų65.143%0.42533%0.328SS..  trans-137.8-44.6-172.5175.1-107000112.6Y185 G189 K191 D198 F223Y185-F200 AromaticContact CD2-CD1 3.99Å; Y185-F200 HydrophobicContact CD2-CD1 3.99Å; Y185-F200 AromaticContact CE2-CD1 3.82Å; Y185-F200 HydrophobicContact CE2-CD1 3.82Å; G189-F200 PolarHBondContact O-N 2.74Å; K191-F200 HydrophobicContact CB-CB 3.8Å; K191-F200 HydrophobicContact CB-CD1 4.42Å; K191-F200 HydrophobicContact CB-CD2 4.49Å; K191-F200 HydrophobicContact CB-CG 3.99Å; K191-F200 HydrophobicContact CD-CB 4.01Å; K191-F200 HydrophobicContact CD-CD2 3.75Å; K191-F200 HydrophobicContact CD-CG 4.04Å; K191-F200 HydrophobicContact CG-CB 3.81Å; K191-F200 HydrophobicContact CG-CD2 4.44Å; K191-F200 HydrophobicContact CG-CG 4.23Å; D198-F200 PolarHBondContact O-N 3.22Å; F200-F223 HydrophobicContact CE1-CB 4.3Å; F200-F223 AromaticContact CE1-CD2 3.84Å; F200-F223 HydrophobicContact CE1-CD2 3.84Å; F200-F223 HydrophobicContact CZ-CD2 4.42Å
201G84.1Confident87.5Confident42 Ų4261.7 Ų61.743%0.43331%0.313SS..SBendtrans-149.9-160.9-177.800000111.3G189G189-G201 WeakPolarHBondContact CA-O 3.27Å; G189-G201 PolarHBondContact O-N 3.41Å; G189-G201 VanDerWaalsContact O-O 3.1Å
202E83Confident87.6Confident132 Ų13257.5 Ų57.562%0.61729%0.294SS*.  trans-87.7148-179-60-175.916100112.7Y185 G189 R225Y185-E202 PolarHBondContact OH-N 3.13Å; Y185-E202 PolarHBondContact OH-O 3.36Å; G189-E202 WeakPolarHBondContact CA-O 3.45Å; E202-R225 VanDerWaalsContact CB-NH1 3.3Å; E202-R225 IonicContact OE2-NH1 2.7Å; E202-R225 PolarHBondContact OE2-NH1 3.41Å
203A85.4Confident87.8Confident18 Ų1857.8 Ų57.815%0.14930%0.296CS..  trans-66.2134.5174.300000112.1G187 R225 R230G187-A203 CarbonylContact O-C 3.56Å; G187-A203 WeakPolarHBondContact O-CA 3.47Å; G187-A203 VanDerWaalsContact O-CB 3.29Å; G187-A203 WeakPolarHBondContact O-CB 3.29Å; A203-R225 PolarHBondContact O-NH1 3.2Å; A203-R225 PolarHBondContact O-NH2 3.01Å; A203-R230 HydrophobicContact CB-CG 3.93Å
204F81.7Confident88Confident1 Ų155.4 Ų55.40%0.00429%0.286CS..  trans-123.8159.8-178.266.6-92.4000113.1V157 C163 I165 Y185 G186 G187 D208 I210V157-F204 HydrophobicContact CG2-CD2 4Å; V157-F204 HydrophobicContact CG2-CE2 4.14Å; C163-F204 VanDerWaalsContact SG-CE2 3.59Å; I165-F204 HydrophobicContact CG1-CZ 4.46Å; Y185-F204 HydrophobicContact CD1-CD1 4.24Å; Y185-F204 AromaticContact CD1-CE1 3.48Å; Y185-F204 HydrophobicContact CD1-CE1 3.48Å; Y185-F204 VanDerWaalsContact CD1-CE1 3.48Å; Y185-F204 HydrophobicContact CD1-CZ 4.19Å; Y185-F204 AromaticContact CE1-CD1 3.64Å; Y185-F204 HydrophobicContact CE1-CD1 3.64Å; Y185-F204 AromaticContact CE1-CE1 3.35Å; Y185-F204 HydrophobicContact CE1-CE1 3.35Å; Y185-F204 HydrophobicContact CE1-CZ 4.4Å; Y185-F204 HydrophobicContact CE2-CE1 4.5Å; Y185-F204 HydrophobicContact CG-CE1 4.12Å; Y185-F204 AromaticContact CZ-CE1 3.91Å; G186-F204 WeakPolarHBondContact O-CE1 3.07Å; G187-F204 CarbonylContact C-O 3.59Å; G187-F204 WeakPolarHBondContact CA-O 3.5Å; G187-F204 PolarHBondContact O-N 2.84Å; F204-D208 WeakPolarHBondContact CA-OD2 3.15Å; F204-D208 HydrophobicContact CB-CB 4.04Å; F204-D208 VanDerWaalsContact CB-OD2 3.31Å; F204-D208 WeakPolarHBondContact CB-OD2 3.26Å; F204-I210 HydrophobicContact CB-CD1 3.76Å; F204-I210 HydrophobicContact CD1-CD1 3.83Å; F204-I210 HydrophobicContact CD1-CG1 4.22Å; F204-I210 HydrophobicContact CD2-CD1 3.8Å; F204-I210 HydrophobicContact CD2-CG1 3.66Å; F204-I210 HydrophobicContact CE1-CD1 4.36Å; F204-I210 HydrophobicContact CE1-CG1 4.31Å; F204-I210 HydrophobicContact CE2-CD1 4.32Å; F204-I210 HydrophobicContact CE2-CG1 3.75Å; F204-I210 HydrophobicContact CG-CD1 3.53Å; F204-I210 HydrophobicContact CG-CG1 3.91Å; F204-I210 HydrophobicContact CZ-CG1 4.09Å
205G80.9Confident88.2Confident0 Ų050.6 Ų50.60%026%0.264CS..  trans-162.2-154.4-172.300000113.1V157 N207 D208 R229V157-G205 VanDerWaalsContact CB-O 3.26Å; V157-G205 WeakPolarHBondContact CB-O 3.32Å; G205-N207 PolarHBondContact O-N 2.85Å; G205-D208 PolarHBondContact N-OD2 3.38Å; G205-D208 VanDerWaalsContact O-CB 3.24Å; G205-D208 WeakPolarHBondContact O-CB 3.23Å; G205-D208 PolarHBondContact O-N 3.16Å; G205-R229 WeakPolarHBondContact CA-O 3.21Å; G205-R229 PolarHBondContact N-O 2.81Å
206L79.8Confident88.5Confident55 Ų5547.3 Ų47.329%0.28825%0.246SC..THydrogen-bonded Turntrans-49.2131.8-174.4179.965.4000112.8T158 D160 D208T158-L206 VanDerWaalsContact O-CD1 3.28Å; T158-L206 WeakPolarHBondContact O-CD1 3.35Å; D160-L206 VanDerWaalsContact OD1-CB 3.3Å; D160-L206 WeakPolarHBondContact OD1-CB 3.46Å; L206-D208 PolarHBondContact O-N 3.36Å
207N80.8Confident88.7Confident124 Ų12445.3 Ų45.366%0.66324%0.241SC*.THydrogen-bonded Turntrans67.9-1.3-175.6-54.3-45.7000116.2V157 G205V157-N207 WeakPolarHBondContact O-CA 3.48Å; V157-N207 PolarHBondContact O-N 3.47Å; G205-N207 PolarHBondContact O-N 2.85Å
208D85Confident88.9Confident4 Ų447.2 Ų47.22%0.02125%0.25CC..  trans-74134.9172-66.3-35.3000110.3T156 V157 F204 G205 L206 R225 C228T156-D208 WeakPolarHBondContact CA-O 3.19Å; V157-D208 PolarHBondContact N-O 2.94Å; F204-D208 WeakPolarHBondContact CA-OD2 3.15Å; F204-D208 HydrophobicContact CB-CB 4.04Å; F204-D208 VanDerWaalsContact CB-OD2 3.31Å; F204-D208 WeakPolarHBondContact CB-OD2 3.26Å; G205-D208 PolarHBondContact N-OD2 3.38Å; G205-D208 VanDerWaalsContact O-CB 3.24Å; G205-D208 WeakPolarHBondContact O-CB 3.23Å; G205-D208 PolarHBondContact O-N 3.16Å; L206-D208 PolarHBondContact O-N 3.36Å; D208-R225 IonicContact OD1-NH2 3.79Å; D208-R225 IonicContact OD2-CZ 3.34Å; D208-R225 IonicContact OD2-NE 3.55Å; D208-R225 IonicContact OD2-NH2 3.21Å; D208-R225 PolarHBondContact OD2-NH2 3.5Å; D208-C228 WeakPolarHBondContact OD1-CA 3.43Å; D208-C228 VanDerWaalsContact OD1-CB 3.23Å; D208-C228 WeakPolarHBondContact OD1-CB 3.34Å; D208-C228 PolarHBondContact OD1-N 3.33Å; D208-C228 VanDerWaalsContact OD1-N 3.16Å
209T87.8Confident88.9Confident9 Ų950 Ų506%0.05527%0.265CS..EExtended strand (participates in β ladder)trans-102.5129.1168.4-54.90000109.6E154 V155 T156 N226 V246E154-T209 HydrophobicContact CB-CG2 3.88Å; E154-T209 HydrophobicContact CG-CG2 4.06Å; V155-T209 CarbonylContact O-C 3.55Å; V155-T209 WeakPolarHBondContact O-CA 3.43Å; T156-T209 PolarHBondContact OG1-OG1 3.48Å; T209-N226 PolarHBondContact O-N 3.27Å; T209-V246 HydrophobicContact CG2-CB 4.21Å; T209-V246 HydrophobicContact CG2-CG2 4.19Å
210I91.5Very high89.1Confident0 Ų048 Ų480%025%0.251CS..EExtended strand (participates in β ladder)trans-113.4123.4178.6-49.2-60.3000108.7E154 V155 I165 Y185 F204 F223 S224 R225E154-I210 WeakPolarHBondContact CA-O 3.24Å; V155-I210 PolarHBondContact N-O 2.83Å; V155-I210 PolarHBondContact O-N 3.43Å; I165-I210 HydrophobicContact CD1-CB 3.49Å; I165-I210 VanDerWaalsContact CD1-CB 3.49Å; I165-I210 HydrophobicContact CD1-CG1 4.07Å; I165-I210 HydrophobicContact CD1-CG2 3.53Å; Y185-I210 HydrophobicContact CD1-CG2 4.01Å; Y185-I210 HydrophobicContact CE1-CG2 4.18Å; F204-I210 HydrophobicContact CB-CD1 3.76Å; F204-I210 HydrophobicContact CD1-CD1 3.83Å; F204-I210 HydrophobicContact CD1-CG1 4.22Å; F204-I210 HydrophobicContact CD2-CD1 3.8Å; F204-I210 HydrophobicContact CD2-CG1 3.66Å; F204-I210 HydrophobicContact CE1-CD1 4.36Å; F204-I210 HydrophobicContact CE1-CG1 4.31Å; F204-I210 HydrophobicContact CE2-CD1 4.32Å; F204-I210 HydrophobicContact CE2-CG1 3.75Å; F204-I210 HydrophobicContact CG-CD1 3.53Å; F204-I210 HydrophobicContact CG-CG1 3.91Å; F204-I210 HydrophobicContact CZ-CG1 4.09Å; I210-F223 HydrophobicContact CG2-CB 4.42Å; I210-F223 HydrophobicContact CG2-CD1 4.41Å; I210-S224 CarbonylContact C-O 3.55Å; I210-S224 VanDerWaalsContact CA-O 3.28Å; I210-S224 WeakPolarHBondContact CA-O 3.5Å; I210-S224 VanDerWaalsContact CG2-O 3.28Å; I210-S224 WeakPolarHBondContact CG2-O 3.38Å; I210-R225 HydrophobicContact CD1-CB 3.86Å; I210-R225 HydrophobicContact CD1-CG 3.78Å
211G92.7Very high89.4Confident0 Ų045.7 Ų45.70%024%0.242CC..EExtended strand (participates in β ladder)trans-85.3133.3171.200000110.4F223 S224G211-F223 CarbonylContact O-C 3.57Å; G211-F223 VanDerWaalsContact O-CA 3.24Å; G211-F223 WeakPolarHBondContact O-CA 3.46Å; G211-S224 WeakPolarHBondContact CA-OG 3.27Å; G211-S224 PolarHBondContact N-O 2.84Å; G211-S224 PolarHBondContact O-N 3.44Å
212C94.4Very high89.8Confident0 Ų046.7 Ų46.70%024%0.238CC..EExtended strand (participates in β ladder)trans-112.5116.7-180-69.30000109.3Y152 Y153 W167Y152-C212 WeakPolarHBondContact CA-O 3.33Å; Y153-C212 HydrophobicContact CD1-CB 3.62Å; Y153-C212 HydrophobicContact CD2-CB 4.33Å; Y153-C212 HydrophobicContact CE1-CB 3.18Å; Y153-C212 HydrophobicContact CE2-CB 3.98Å; Y153-C212 HydrophobicContact CG-CB 4.16Å; Y153-C212 VanDerWaalsContact CZ-SG 3.53Å; Y153-C212 PolarHBondContact N-O 2.8Å; Y153-C212 PolarHBondContact O-N 3.14Å; Y153-C212 PolarHBondContact OH-SG 3.15Å; Y153-C212 VanDerWaalsContact OH-SG 3.41Å; W167-C212 HydrophobicContact CZ2-CB 4.46Å
213L95.4Very high90.2Very high11 Ų1142 Ų426%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-112.4136.1-174.4-61.780.7000110.2Y151 Y152 W167 I221 L222 P250 Y253Y151-L213 WeakPolarHBondContact O-CA 3.17Å; Y152-L213 HydrophobicContact CD2-CD1 4.21Å; Y152-L213 HydrophobicContact CD2-CG 3.92Å; Y152-L213 HydrophobicContact CE2-CD1 4.11Å; Y152-L213 HydrophobicContact CE2-CG 4.3Å; W167-L213 PolarHBondContact NE1-O 3.46Å; L213-I221 WeakPolarHBondContact O-CA 3.38Å; L213-L222 HydrophobicContact CB-CB 4.01Å; L213-L222 HydrophobicContact CB-CD1 4.26Å; L213-L222 HydrophobicContact CD1-CB 4.36Å; L213-L222 HydrophobicContact CD2-CB 4.37Å; L213-L222 HydrophobicContact CG-CB 4.49Å; L213-L222 PolarHBondContact N-O 3.42Å; L213-L222 PolarHBondContact O-N 3.28Å; L213-P250 HydrophobicContact CD2-CB 4.34Å; L213-P250 HydrophobicContact CD2-CG 3.79Å; L213-Y253 HydrophobicContact CB-CD1 4.2Å; L213-Y253 HydrophobicContact CB-CE1 3.62Å; L213-Y253 HydrophobicContact CD2-CD1 4.28Å; L213-Y253 HydrophobicContact CD2-CD2 4.36Å; L213-Y253 HydrophobicContact CD2-CE1 3.86Å; L213-Y253 HydrophobicContact CD2-CE2 3.92Å; L213-Y253 HydrophobicContact CG-CD1 4.37Å; L213-Y253 HydrophobicContact CG-CE1 4.11Å
214L96.6Very high90.2Very high19 Ų1942.6 Ų42.610%0.09922%0.218CC..EExtended strand (participates in β ladder)trans-129.6117.3172.7177.666.5000109.9V145 K150 Y151 W167 L216 I221V145-L214 HydrophobicContact CG2-CD2 3.6Å; K150-L214 CarbonylContact C-O 3.52Å; K150-L214 VanDerWaalsContact CA-O 3.29Å; K150-L214 WeakPolarHBondContact CA-O 3.23Å; Y151-L214 PolarHBondContact N-O 3.18Å; Y151-L214 PolarHBondContact O-N 2.79Å; W167-L214 HydrophobicContact CD2-CB 4Å; W167-L214 HydrophobicContact CD2-CD2 4.03Å; W167-L214 HydrophobicContact CD2-CG 4.49Å; W167-L214 HydrophobicContact CE3-CB 4.37Å; W167-L214 HydrophobicContact CE3-CD2 3.73Å; W167-L214 HydrophobicContact CH2-CB 3.92Å; W167-L214 HydrophobicContact CH2-CD2 4.23Å; W167-L214 HydrophobicContact CZ2-CB 3.52Å; W167-L214 HydrophobicContact CZ3-CB 4.33Å; W167-L214 HydrophobicContact CZ3-CD2 3.84Å; L214-L216 HydrophobicContact CD1-CD2 4.06Å; L214-L216 HydrophobicContact CD2-CD2 3.93Å; L214-L216 HydrophobicContact CD2-CG 4.26Å; L214-L216 HydrophobicContact CG-CD2 3.95Å; L214-L216 HydrophobicContact CG-CG 4.19Å; L214-I221 HydrophobicContact CD1-CD1 4.45Å; L214-I221 HydrophobicContact CD1-CG1 3.71Å
215D96Very high90Very high3 Ų344.8 Ų44.82%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-10799.2173.9-174.1-29.6000108.4K150 D217 K218 N219 Q220K150-D215 WeakPolarHBondContact CE-OD2 3.48Å; K150-D215 HydrophobicContact CG-CB 4.26Å; K150-D215 IonicContact NZ-OD2 3.34Å; K150-D215 PolarHBondContact NZ-OD2 2.94Å; D215-D217 VanDerWaalsContact C-N 3.29Å; D215-D217 WeakPolarHBondContact OD1-CA 3.49Å; D215-D217 WeakPolarHBondContact OD1-CB 3.48Å; D215-D217 PolarHBondContact OD1-N 3.05Å; D215-K218 PolarHBondContact OD1-N 3.02Å; D215-N219 CarbonylContact O-C 3.46Å; D215-N219 VanDerWaalsContact O-CA 3.3Å; D215-N219 WeakPolarHBondContact O-CA 3.35Å; D215-N219 PolarHBondContact O-N 2.76Å; D215-Q220 HydrophobicContact CB-CB 4.3Å; D215-Q220 PolarHBondContact N-O 2.89Å; D215-Q220 PolarHBondContact O-N 2.67Å
216L95.5Very high89.1Confident34 Ų3447.7 Ų47.718%0.17824%0.242CC..THydrogen-bonded Turntrans-74.1-21.1178.6-67.3-177.9000112.4V145 G149 Y151 L214 K218V145-L216 HydrophobicContact CG2-CD1 4.47Å; G149-L216 WeakPolarHBondContact O-CB 3.26Å; G149-L216 PolarHBondContact O-N 3.42Å; Y151-L216 HydrophobicContact CD2-CD1 4.35Å; Y151-L216 HydrophobicContact CE2-CD1 3.82Å; Y151-L216 HydrophobicContact CE2-CG 4.36Å; L214-L216 HydrophobicContact CD1-CD2 4.06Å; L214-L216 HydrophobicContact CD2-CD2 3.93Å; L214-L216 HydrophobicContact CD2-CG 4.26Å; L214-L216 HydrophobicContact CG-CD2 3.95Å; L214-L216 HydrophobicContact CG-CG 4.19Å; L216-K218 VanDerWaalsContact C-N 3.3Å
217D95.1Very high87.2Confident93 Ų9349.5 Ų49.550%0.49727%0.265SS..THydrogen-bonded Turntrans-70-32.8177.2-56.7-36.3000111.1K148 G149 D215K148-D217 WeakPolarHBondContact CB-OD1 3.42Å; G149-D217 PolarHBondContact N-OD1 3.37Å; D215-D217 VanDerWaalsContact C-N 3.29Å; D215-D217 WeakPolarHBondContact OD1-CA 3.49Å; D215-D217 WeakPolarHBondContact OD1-CB 3.48Å; D215-D217 PolarHBondContact OD1-N 3.05Å
218K94.5Very high85.1Confident130 Ų13047.3 Ų47.357%0.56526%0.258SS*.THydrogen-bonded Turntrans-107.6-2.6179-65.3-176.4177.9179.90114.4D215 L216 Q220D215-K218 PolarHBondContact OD1-N 3.02Å; L216-K218 VanDerWaalsContact C-N 3.3Å; K218-Q220 VanDerWaalsContact C-N 3.35Å; K218-Q220 HydrophobicContact CB-CB 4.48Å; K218-Q220 HydrophobicContact CB-CG 3.88Å
219N91.4Very high82.6Confident144 Ų14457 Ų5777%0.7730%0.295SS*.THydrogen-bonded Turntrans52.348.9-170-62.2-53.4000112.7D215D215-N219 CarbonylContact O-C 3.46Å; D215-N219 VanDerWaalsContact O-CA 3.3Å; D215-N219 WeakPolarHBondContact O-CA 3.35Å; D215-N219 PolarHBondContact O-N 2.76Å
220Q93.8Very high79.8Confident91 Ų9165 Ų6543%0.42532%0.324SS..EExtended strand (participates in β ladder)trans-117139.9-178.6-66.7-179.2-18.800111.8D215 K218 L222D215-Q220 HydrophobicContact CB-CB 4.3Å; D215-Q220 PolarHBondContact N-O 2.89Å; D215-Q220 PolarHBondContact O-N 2.67Å; K218-Q220 VanDerWaalsContact C-N 3.35Å; K218-Q220 HydrophobicContact CB-CB 4.48Å; K218-Q220 HydrophobicContact CB-CG 3.88Å; Q220-L222 HydrophobicContact CB-CD1 4.05Å
221I93Very high77Confident49 Ų4970.1 Ų70.125%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-114130.9168.6-66.3168.9000107.6W167 F183 L213 L214 F223W167-I221 HydrophobicContact CB-CD1 4.1Å; W167-I221 HydrophobicContact CG-CD1 4.46Å; F183-I221 HydrophobicContact CB-CD1 3.61Å; F183-I221 HydrophobicContact CD1-CD1 4.09Å; F183-I221 HydrophobicContact CD2-CD1 3.62Å; F183-I221 HydrophobicContact CE2-CD1 4.3Å; F183-I221 HydrophobicContact CG-CD1 3.5Å; L213-I221 WeakPolarHBondContact O-CA 3.38Å; L214-I221 HydrophobicContact CD1-CD1 4.45Å; L214-I221 HydrophobicContact CD1-CG1 3.71Å; I221-F223 HydrophobicContact CG2-CD2 4.48Å; I221-F223 HydrophobicContact CG2-CE2 3.68Å; I221-F223 HydrophobicContact CG2-CZ 3.77Å
222L92Very high74.2Confident63 Ų6377.3 Ų77.333%0.3338%0.382SS..EExtended strand (participates in β ladder)trans-131.4158.9177-47.590.4000110.6L213 Q220L213-L222 HydrophobicContact CB-CB 4.01Å; L213-L222 HydrophobicContact CB-CD1 4.26Å; L213-L222 HydrophobicContact CD1-CB 4.36Å; L213-L222 HydrophobicContact CD2-CB 4.37Å; L213-L222 HydrophobicContact CG-CB 4.49Å; L213-L222 PolarHBondContact N-O 3.42Å; L213-L222 PolarHBondContact O-N 3.28Å; Q220-L222 HydrophobicContact CB-CD1 4.05Å
223F91.3Very high72Confident35 Ų3580.9 Ų80.915%0.15440%0.401CS..EExtended strand (participates in β ladder)trans-130.6138175.8-58.4-87.4000109.8Y185 F200 I210 G211 I221Y185-F223 HydrophobicContact CD1-CB 3.79Å; Y185-F223 AromaticContact CD1-CD1 3.91Å; Y185-F223 HydrophobicContact CD1-CD1 3.91Å; Y185-F223 HydrophobicContact CD1-CD2 4.35Å; Y185-F223 AromaticContact CD1-CG 3.75Å; Y185-F223 HydrophobicContact CD1-CG 3.75Å; Y185-F223 HydrophobicContact CE1-CB 4.13Å; Y185-F223 HydrophobicContact CG-CB 4.31Å; Y185-F223 HydrophobicContact CG-CD1 4.13Å; Y185-F223 HydrophobicContact CG-CD2 4.02Å; Y185-F223 HydrophobicContact CG-CE1 4.47Å; Y185-F223 HydrophobicContact CG-CE2 4.39Å; Y185-F223 AromaticContact CG-CG 3.88Å; Y185-F223 HydrophobicContact CG-CG 3.88Å; F200-F223 HydrophobicContact CE1-CB 4.3Å; F200-F223 AromaticContact CE1-CD2 3.84Å; F200-F223 HydrophobicContact CE1-CD2 3.84Å; F200-F223 HydrophobicContact CZ-CD2 4.42Å; I210-F223 HydrophobicContact CG2-CB 4.42Å; I210-F223 HydrophobicContact CG2-CD1 4.41Å; G211-F223 CarbonylContact O-C 3.57Å; G211-F223 VanDerWaalsContact O-CA 3.24Å; G211-F223 WeakPolarHBondContact O-CA 3.46Å; I221-F223 HydrophobicContact CG2-CD2 4.48Å; I221-F223 HydrophobicContact CG2-CE2 3.68Å; I221-F223 HydrophobicContact CG2-CZ 3.77Å
224S86.1Confident70.1Confident29 Ų2980.9 Ų80.920%0.20340%0.403CS..EExtended strand (participates in β ladder)trans-115.2157.1171.465.70000110.3I210 G211 Q247I210-S224 CarbonylContact C-O 3.55Å; I210-S224 VanDerWaalsContact CA-O 3.28Å; I210-S224 WeakPolarHBondContact CA-O 3.5Å; I210-S224 VanDerWaalsContact CG2-O 3.28Å; I210-S224 WeakPolarHBondContact CG2-O 3.38Å; G211-S224 WeakPolarHBondContact CA-OG 3.27Å; G211-S224 PolarHBondContact N-O 2.84Å; G211-S224 PolarHBondContact O-N 3.44Å; S224-Q247 PolarHBondContact OG-OE1 3.04Å
225R76.2Confident69.1Low47 Ų4782.3 Ų82.318%0.17741%0.409CS..EExtended strand (participates in β ladder)trans-141.5147.7-175.7171175.2-173.7-152.912.7111.3E202 A203 D208 I210 C228 Q247E202-R225 VanDerWaalsContact CB-NH1 3.3Å; E202-R225 IonicContact OE2-NH1 2.7Å; E202-R225 PolarHBondContact OE2-NH1 3.41Å; A203-R225 PolarHBondContact O-NH1 3.2Å; A203-R225 PolarHBondContact O-NH2 3.01Å; D208-R225 IonicContact OD1-NH2 3.79Å; D208-R225 IonicContact OD2-CZ 3.34Å; D208-R225 IonicContact OD2-NE 3.55Å; D208-R225 IonicContact OD2-NH2 3.21Å; D208-R225 PolarHBondContact OD2-NH2 3.5Å; I210-R225 HydrophobicContact CD1-CB 3.86Å; I210-R225 HydrophobicContact CD1-CG 3.78Å; R225-C228 PolarHBondContact NH2-O 2.96Å; R225-Q247 PolarHBondContact O-NE2 3.47Å
226N63.3Low68.5Low62 Ų6282.7 Ų82.733%0.33241%0.411SS..  trans-94.3143.6157.3-80-36.8000111.6T209 C228 Q247T209-N226 PolarHBondContact O-N 3.27Å; N226-C228 PolarHBondContact O-N 2.88Å; N226-Q247 PolarHBondContact ND2-NE2 3.29Å; N226-Q247 PolarHBondContact OD1-NE2 3.03Å
227A38.5Very low68Low93 Ų9384.3 Ų84.377%0.76942%0.417SS*.  trans-74117.3-169.900000113.9
228C36.2Very low67.7Low78 Ų7880.9 Ų80.953%0.52740%0.397SS..  trans-164.9-145.8154-154.80000113.8D208 R225 N226D208-C228 WeakPolarHBondContact OD1-CA 3.43Å; D208-C228 VanDerWaalsContact OD1-CB 3.23Å; D208-C228 WeakPolarHBondContact OD1-CB 3.34Å; D208-C228 PolarHBondContact OD1-N 3.33Å; D208-C228 VanDerWaalsContact OD1-N 3.16Å; R225-C228 PolarHBondContact NH2-O 2.96Å; N226-C228 PolarHBondContact O-N 2.88Å
229R33.1Very low67.6Low207 Ų20775.4 Ų75.478%0.78137%0.374SS*.  trans-117.8162.9-154.1-66.2-177177.3-174.61.1115.3G205G205-R229 WeakPolarHBondContact CA-O 3.21Å; G205-R229 PolarHBondContact N-O 2.81Å
230R28.9Very low67.6Low178 Ų17868.7 Ų68.767%0.67234%0.338SS*.  trans-80154.2-169.1-49.1173.483.6174.88.6114A203A203-R230 HydrophobicContact CB-CG 3.93Å
231L33.8Very low67.3Low107 Ų10765.4 Ų65.456%0.5633%0.328SS*.  trans-176.2-172158.9-96152.6000115.3D160 G161D160-L231 HydrophobicContact CB-CB 4.23Å; D160-L231 VanDerWaalsContact OD1-CB 3.24Å; D160-L231 WeakPolarHBondContact OD1-CB 3.3Å; D160-L231 WeakPolarHBondContact OD1-CD1 3.08Å; G161-L231 CarbonylContact C-O 3.55Å; G161-L231 WeakPolarHBondContact CA-O 2.79Å
232K33.1Very low66.9Low150 Ų15066.1 Ų66.165%0.65234%0.338SS*.SBendtrans-129.3143.5-170.3-76.2-171.2166.1178.40116.5D160 L162D160-K232 CarbonylContact O-C 3.55Å; L162-K232 HydrophobicContact CD1-CG 4.29Å; L162-K232 HydrophobicContact CD2-CG 4.38Å; L162-K232 HydrophobicContact CG-CB 4.48Å; L162-K232 HydrophobicContact CG-CG 3.98Å
233N47.5Very low66.5Low76 Ų7667.3 Ų67.341%0.40634%0.342SS..SBendtrans74.864.3-165.9-57.8-28.5000125.3Q133 D160 G161 L162Q133-N233 PolarHBondContact NE2-ND2 3.46Å; D160-N233 VanDerWaalsContact C-C 3.47Å; D160-N233 CarbonylContact C-O 3.4Å; D160-N233 CarbonylContact O-C 3.54Å; D160-N233 WeakPolarHBondContact O-CA 3.42Å; D160-N233 PolarHBondContact O-N 3.35Å; G161-N233 VanDerWaalsContact CA-C 3.42Å; L162-N233 VanDerWaalsContact N-N 3.19Å
234A55.7Low66.1Low11 Ų1171.5 Ų71.59%0.09137%0.373CS..  trans-86.6146.5-161.800000116.9V157 D159 D160 G161 C163V157-A234 HydrophobicContact CG1-CB 3.89Å; D159-A234 VanDerWaalsContact O-CA 3.32Å; D159-A234 WeakPolarHBondContact O-CA 3.33Å; D160-A234 PolarHBondContact O-N 2.51Å; G161-A234 VanDerWaalsContact CA-CB 3.47Å; G161-A234 VanDerWaalsContact O-CB 3.25Å; G161-A234 WeakPolarHBondContact O-CB 3.47Å; C163-A234 HydrophobicContact CB-CB 3.87Å
235E76.2Confident66.1Low49 Ų4972.4 Ų72.423%0.22937%0.373CS..EExtended strand (participates in β ladder)trans-100.1143.3157-173-17679.100108.7L127 Q129 V157 T158 D159L127-E235 HydrophobicContact CD1-CG 4.07Å; L127-E235 WeakPolarHBondContact CD1-OE1 3.27Å; L127-E235 VanDerWaalsContact CD2-CD 3.5Å; L127-E235 HydrophobicContact CD2-CG 3.64Å; L127-E235 WeakPolarHBondContact CD2-OE2 3.46Å; L127-E235 HydrophobicContact CG-CG 3.8Å; Q129-E235 HydrophobicContact CB-CB 4.3Å; Q129-E235 HydrophobicContact CB-CG 4.2Å; Q129-E235 HydrophobicContact CG-CB 4.14Å; V157-E235 CarbonylContact C-O 3.59Å; V157-E235 WeakPolarHBondContact CA-O 3.26Å; T158-E235 WeakPolarHBondContact CB-OE1 3.04Å; T158-E235 PolarHBondContact N-O 2.85Å; T158-E235 WeakPolarHBondContact OG1-CB 3.42Å; T158-E235 VanDerWaalsContact OG1-CG 3.26Å; T158-E235 WeakPolarHBondContact OG1-CG 3.38Å; T158-E235 PolarHBondContact OG1-O 3.26Å; T158-E235 PolarHBondContact OG1-OE1 2.82Å; D159-E235 HydrophobicContact CB-CB 3.31Å; D159-E235 PolarHBondContact N-O 3.17Å; D159-E235 PolarHBondContact O-N 3.14Å
236V82.7Confident66.3Low10 Ų1074.6 Ų74.66%0.06139%0.391CS..EExtended strand (participates in β ladder)trans-134.8132.2-177.3-74.40000111.7L127 C128 V155 T156 V157 C163 F238L127-V236 WeakPolarHBondContact CA-O 3.24Å; C128-V236 PolarHBondContact N-O 3.22Å; C128-V236 PolarHBondContact O-N 2.68Å; C128-V236 VanDerWaalsContact SG-CG2 3.57Å; V155-V236 HydrophobicContact CG1-CB 3.6Å; V155-V236 HydrophobicContact CG1-CG1 3.91Å; V155-V236 HydrophobicContact CG1-CG2 4.41Å; T156-V236 CarbonylContact O-C 3.55Å; T156-V236 WeakPolarHBondContact O-CA 3.36Å; V157-V236 HydrophobicContact CG2-CG1 4.12Å; C163-V236 HydrophobicContact CB-CG1 3.93Å; V236-F238 HydrophobicContact CB-CE2 4.36Å; V236-F238 HydrophobicContact CG2-CE2 3.72Å; V236-F238 HydrophobicContact CG2-CZ 4.43Å
237K85.1Confident67Low69 Ų6973.6 Ų73.630%0.339%0.385SS..EExtended strand (participates in β ladder)trans-100.1126.9171.8-174.6-174.6173.9-166.90110L126 L127 V155 T156 T158 E243L126-K237 CarbonylContact O-C 3.53Å; L126-K237 WeakPolarHBondContact O-CA 3.2Å; L127-K237 HydrophobicContact CD1-CB 4.37Å; V155-K237 CarbonylContact C-O 3.58Å; V155-K237 VanDerWaalsContact CA-O 3.32Å; V155-K237 WeakPolarHBondContact CA-O 3.32Å; T156-K237 PolarHBondContact N-O 2.9Å; T156-K237 PolarHBondContact O-N 2.51Å; T158-K237 HydrophobicContact CG2-CB 3.91Å; K237-E243 IonicContact NZ-OE1 3.54Å; K237-E243 IonicContact NZ-OE2 2.69Å; K237-E243 PolarHBondContact NZ-OE2 3.09Å
238F90.3Very high69Low21 Ų2178.1 Ų78.19%0.09239%0.39CS..EExtended strand (participates in β ladder)trans-94.2137.8176.2-70.8-107.2000110.4L110 L126 Y153 V155 V236 F240L110-F238 HydrophobicContact CD1-CD2 3.65Å; L110-F238 HydrophobicContact CD1-CE2 3.76Å; L110-F238 HydrophobicContact CD1-CG 4.37Å; L110-F238 HydrophobicContact CD2-CD1 4.18Å; L110-F238 HydrophobicContact CD2-CD2 4.1Å; L110-F238 HydrophobicContact CD2-CE1 4.04Å; L110-F238 HydrophobicContact CD2-CE2 3.97Å; L110-F238 HydrophobicContact CD2-CG 4.21Å; L110-F238 HydrophobicContact CD2-CZ 3.94Å; L110-F238 HydrophobicContact CG-CD2 4.05Å; L110-F238 HydrophobicContact CG-CE2 4.29Å; L110-F238 HydrophobicContact CG-CG 4.29Å; L126-F238 PolarHBondContact O-N 3.26Å; Y153-F238 HydrophobicContact CD2-CD1 4.23Å; Y153-F238 AromaticContact CE2-CD1 3.86Å; Y153-F238 HydrophobicContact CE2-CD1 3.86Å; Y153-F238 AromaticContact CE2-CE1 3.95Å; Y153-F238 HydrophobicContact CE2-CE1 3.95Å; V155-F238 HydrophobicContact CG1-CD2 4.49Å; V155-F238 HydrophobicContact CG1-CE2 4.35Å; V155-F238 HydrophobicContact CG1-CZ 4.45Å; V155-F238 HydrophobicContact CG2-CD1 3.7Å; V155-F238 HydrophobicContact CG2-CE1 3.67Å; V155-F238 HydrophobicContact CG2-CG 4.25Å; V155-F238 HydrophobicContact CG2-CZ 4.19Å; V236-F238 HydrophobicContact CB-CE2 4.36Å; V236-F238 HydrophobicContact CG2-CE2 3.72Å; V236-F238 HydrophobicContact CG2-CZ 4.43Å; F238-F240 HydrophobicContact CB-CD2 4.33Å; F238-F240 HydrophobicContact CB-CE2 3.69Å; F238-F240 HydrophobicContact CB-CZ 3.81Å; F238-F240 HydrophobicContact CD1-CE1 4.01Å; F238-F240 HydrophobicContact CD1-CE2 4.42Å; F238-F240 AromaticContact CD1-CZ 3.66Å; F238-F240 HydrophobicContact CD1-CZ 3.66Å; F238-F240 HydrophobicContact CG-CE2 4.35Å; F238-F240 HydrophobicContact CG-CZ 4Å
239N90.4Very high71.2Confident14 Ų1475.8 Ų75.88%0.07538%0.376CS..EExtended strand (participates in β ladder)trans-123.7111165.1179.19.1000108.4Y153 E154 G241 S242 E243 P244 F245Y153-N239 WeakPolarHBondContact CB-O 3.46Å; E154-N239 HydrophobicContact CB-CB 4.44Å; E154-N239 PolarHBondContact N-O 3.03Å; E154-N239 PolarHBondContact O-N 3.42Å; N239-G241 VanDerWaalsContact C-N 3.32Å; N239-G241 PolarHBondContact OD1-N 2.77Å; N239-S242 PolarHBondContact OD1-N 3.03Å; N239-E243 PolarHBondContact ND2-O 3.12Å; N239-E243 PolarHBondContact OD1-N 2.94Å; N239-E243 PolarHBondContact OD1-O 2.73Å; N239-P244 PolarHBondContact ND2-O 2.81Å; N239-F245 WeakPolarHBondContact ND2-CD1 3.37Å; N239-F245 WeakPolarHBondContact O-CE1 3.15Å
240F92.6Very high73.8Confident4 Ų468.2 Ų68.22%0.01835%0.354CS..SBendtrans-89.13.5179.6-61.3-73.8000113.6W108 L110 L126 A141 Y153 F238 L256 C257W108-F240 HydrophobicContact CB-CB 3.38Å; W108-F240 HydrophobicContact CB-CD1 4.3Å; W108-F240 HydrophobicContact CB-CD2 3.88Å; W108-F240 HydrophobicContact CB-CG 3.61Å; W108-F240 HydrophobicContact CE3-CD1 4.34Å; W108-F240 HydrophobicContact CG-CB 4.16Å; W108-F240 WeakPolarHBondContact O-CD2 3.36Å; L110-F240 HydrophobicContact CD2-CZ 4.31Å; L126-F240 HydrophobicContact CD2-CD2 4.04Å; L126-F240 HydrophobicContact CD2-CE2 4.23Å; A141-F240 HydrophobicContact CB-CE1 4.29Å; A141-F240 HydrophobicContact CB-CZ 4.23Å; Y153-F240 HydrophobicContact CD2-CD1 4.33Å; Y153-F240 HydrophobicContact CD2-CE1 4.25Å; Y153-F240 HydrophobicContact CG-CD1 4.27Å; F238-F240 HydrophobicContact CB-CD2 4.33Å; F238-F240 HydrophobicContact CB-CE2 3.69Å; F238-F240 HydrophobicContact CB-CZ 3.81Å; F238-F240 HydrophobicContact CD1-CE1 4.01Å; F238-F240 HydrophobicContact CD1-CE2 4.42Å; F238-F240 AromaticContact CD1-CZ 3.66Å; F238-F240 HydrophobicContact CD1-CZ 3.66Å; F238-F240 HydrophobicContact CG-CE2 4.35Å; F238-F240 HydrophobicContact CG-CZ 4Å; F240-L256 HydrophobicContact CB-CB 4.39Å; F240-L256 HydrophobicContact CD1-CD1 3.86Å; F240-L256 HydrophobicContact CE1-CD1 4.46Å; F240-L256 PolarHBondContact O-N 2.96Å; F240-C257 PolarHBondContact O-N 3.37Å; F240-C257 PolarHBondContact O-SG 3.25Å
241G88.2Confident76.7Confident21 Ų2164.7 Ų64.722%0.21636%0.362CS..SBendtrans111.38.8-17600000114.5N239N239-G241 VanDerWaalsContact C-N 3.32Å; N239-G241 PolarHBondContact OD1-N 2.77Å
242S83.5Confident79.4Confident64 Ų6462.5 Ų62.545%0.44837%0.366SS..SBendtrans-78.8-22.6172.6540000112.8N239N239-S242 PolarHBondContact OD1-N 3.03Å
243E83.4Confident82.4Confident88 Ų8857 Ų5741%0.41134%0.341SS..SBendtrans-116.4152.6172.9-61.7-178.4161.700108.6K237 N239 F245K237-E243 IonicContact NZ-OE1 3.54Å; K237-E243 IonicContact NZ-OE2 2.69Å; K237-E243 PolarHBondContact NZ-OE2 3.09Å; N239-E243 PolarHBondContact ND2-O 3.12Å; N239-E243 PolarHBondContact OD1-N 2.94Å; N239-E243 PolarHBondContact OD1-O 2.73Å; E243-F245 PolarHBondContact O-N 2.74Å
244P83.4Confident84.6Confident124 Ų12456.4 Ų56.481%0.80534%0.34SS*.  trans-52.7134.9171.7-24.734.2000111.2N239N239-P244 PolarHBondContact ND2-O 2.81Å
245F86.2Confident86.4Confident47 Ų4756.2 Ų56.221%0.20634%0.338CS..  trans-69.7148.5176.1-66.6-53.7000111.4Y152 E154 N239 E243 Q247Y152-F245 HydrophobicContact CD1-CD1 4.38Å; Y152-F245 AromaticContact CD1-CD2 3.81Å; Y152-F245 HydrophobicContact CD1-CD2 3.81Å; Y152-F245 HydrophobicContact CD1-CE1 4.16Å; Y152-F245 AromaticContact CD1-CE2 3.55Å; Y152-F245 HydrophobicContact CD1-CE2 3.55Å; Y152-F245 HydrophobicContact CD1-CG 4.22Å; Y152-F245 AromaticContact CD1-CZ 3.73Å; Y152-F245 HydrophobicContact CD1-CZ 3.73Å; Y152-F245 HydrophobicContact CE1-CB 4.31Å; Y152-F245 AromaticContact CE1-CD1 3.97Å; Y152-F245 HydrophobicContact CE1-CD1 3.97Å; Y152-F245 AromaticContact CE1-CD2 3.77Å; Y152-F245 HydrophobicContact CE1-CD2 3.77Å; Y152-F245 HydrophobicContact CE1-CE1 4.16Å; Y152-F245 AromaticContact CE1-CE2 3.98Å; Y152-F245 HydrophobicContact CE1-CE2 3.98Å; Y152-F245 AromaticContact CE1-CG 3.76Å; Y152-F245 HydrophobicContact CE1-CG 3.76Å; Y152-F245 HydrophobicContact CE1-CZ 4.16Å; E154-F245 HydrophobicContact CB-CD1 4.1Å; E154-F245 HydrophobicContact CB-CE1 4.46Å; E154-F245 HydrophobicContact CG-CB 4.48Å; E154-F245 HydrophobicContact CG-CD1 3.68Å; E154-F245 HydrophobicContact CG-CE1 4.28Å; E154-F245 HydrophobicContact CG-CG 4.35Å; E154-F245 WeakPolarHBondContact OE2-CA 3.16Å; N239-F245 WeakPolarHBondContact ND2-CD1 3.37Å; N239-F245 WeakPolarHBondContact O-CE1 3.15Å; E243-F245 PolarHBondContact O-N 2.74Å; F245-Q247 VanDerWaalsContact C-N 3.3Å; F245-Q247 WeakPolarHBondContact CB-O 3.35Å
246V80.8Confident87.2Confident94 Ų9454 Ų5457%0.5733%0.328SS*.SBendtrans-67.4-35.6173.7-1780000110.1E154 T209E154-V246 PolarHBondContact OE1-N 2.84Å; E154-V246 PolarHBondContact OE2-N 3.32Å; T209-V246 HydrophobicContact CG2-CB 4.21Å; T209-V246 HydrophobicContact CG2-CG2 4.19Å
247Q77.5Confident87.6Confident41 Ų4155.5 Ų55.519%0.19234%0.339CS..SBendtrans-111136.6169.4-62.4-176.8-15.300110E154 S224 R225 N226 F245 A249E154-Q247 PolarHBondContact OE1-N 2.8Å; S224-Q247 PolarHBondContact OG-OE1 3.04Å; R225-Q247 PolarHBondContact O-NE2 3.47Å; N226-Q247 PolarHBondContact ND2-NE2 3.29Å; N226-Q247 PolarHBondContact OD1-NE2 3.03Å; F245-Q247 VanDerWaalsContact C-N 3.3Å; F245-Q247 WeakPolarHBondContact CB-O 3.35Å; Q247-A249 PolarHBondContact O-N 2.72Å
248E79.9Confident87.9Confident188 Ų18857.8 Ų57.888%0.87935%0.354SS*.PPolyproline II helixtrans-59.6131170.3-166.2174-170.900109.3
249A83.8Confident87.9Confident28 Ų2857.3 Ų57.323%0.23135%0.354CS..PPolyproline II helixtrans-56.7135.4-179.600000109.5Y152 Q247Y152-A249 HydrophobicContact CD1-CB 3.72Å; Y152-A249 HydrophobicContact CE1-CB 4.21Å; Y152-A249 HydrophobicContact CG-CB 4.16Å; Q247-A249 PolarHBondContact O-N 2.72Å
250P87Confident88Confident49 Ų4959 Ų5932%0.31837%0.366SS..PPolyproline II helixtrans-56.2149.3-179.4-29.338.4000112.4L213 G252 Y253L213-P250 HydrophobicContact CD2-CB 4.34Å; L213-P250 HydrophobicContact CD2-CG 3.79Å; P250-G252 PolarHBondContact O-N 3.27Å; P250-G252 VanDerWaalsContact O-N 3.16Å; P250-Y253 HydrophobicContact CB-CD2 3.86Å; P250-Y253 HydrophobicContact CB-CE2 4.29Å; P250-Y253 WeakPolarHBondContact O-CB 3.11Å; P250-Y253 WeakPolarHBondContact O-CD2 3.45Å; P250-Y253 PolarHBondContact O-N 2.86Å
251A88.6Confident87.8Confident103 Ų10367.8 Ų67.885%0.85140%0.404SS*.THydrogen-bonded Turntrans-51.3123.5-174.700000112.5
252G92.1Very high87.9Confident62 Ų6273.5 Ų73.564%0.63943%0.425SS*.THydrogen-bonded Turntrans88.1-1.8-179.800000115.7K150 P250K150-G252 WeakPolarHBondContact CB-O 3.47Å; P250-G252 PolarHBondContact O-N 3.27Å; P250-G252 VanDerWaalsContact O-N 3.16Å
253Y94.9Very high88.4Confident34 Ų3472.5 Ų72.513%0.13341%0.413CS..  trans-90.8140.2170.1-71.9-101.9000110.9K150 Y151 L213 P250K150-Y253 HydrophobicContact CB-CD1 3.65Å; K150-Y253 HydrophobicContact CB-CD2 4.33Å; K150-Y253 HydrophobicContact CB-CE1 3.82Å; K150-Y253 HydrophobicContact CB-CG 3.91Å; K150-Y253 HydrophobicContact CD-CD2 4.37Å; K150-Y253 HydrophobicContact CD-CE2 4.12Å; K150-Y253 WeakPolarHBondContact O-CA 3.26Å; Y151-Y253 WeakPolarHBondContact O-CD1 3.17Å; L213-Y253 HydrophobicContact CB-CD1 4.2Å; L213-Y253 HydrophobicContact CB-CE1 3.62Å; L213-Y253 HydrophobicContact CD2-CD1 4.28Å; L213-Y253 HydrophobicContact CD2-CD2 4.36Å; L213-Y253 HydrophobicContact CD2-CE1 3.86Å; L213-Y253 HydrophobicContact CD2-CE2 3.92Å; L213-Y253 HydrophobicContact CG-CD1 4.37Å; L213-Y253 HydrophobicContact CG-CE1 4.11Å; P250-Y253 HydrophobicContact CB-CD2 3.86Å; P250-Y253 HydrophobicContact CB-CE2 4.29Å; P250-Y253 WeakPolarHBondContact O-CB 3.11Å; P250-Y253 WeakPolarHBondContact O-CD2 3.45Å; P250-Y253 PolarHBondContact O-N 2.86Å
254V93.7Very high88.8Confident63 Ų6369.9 Ų69.938%0.38240%0.403SS..EExtended strand (participates in β ladder)trans-109.8153.4173.2-60.90000110.7K150 Y151 Y152K150-V254 WeakPolarHBondContact O-CG2 3.23Å; K150-V254 PolarHBondContact O-N 3.01Å; Y151-V254 CarbonylContact C-O 3.57Å; Y151-V254 WeakPolarHBondContact CA-O 3.41Å; Y151-V254 HydrophobicContact CD1-CG2 3.83Å; Y151-V254 HydrophobicContact CE1-CG2 4.03Å; Y152-V254 PolarHBondContact N-O 2.93Å
255S93.3Very high89.1Confident7 Ų766.6 Ų66.65%0.04938%0.38CS..EExtended strand (participates in β ladder)trans-62.7153.3173.585.20000110.5Y152 C257 D258 A259Y152-S255 WeakPolarHBondContact O-CA 3.16Å; S255-C257 VanDerWaalsContact C-N 3.25Å; S255-C257 PolarHBondContact O-N 3.49Å; S255-C257 PolarHBondContact OG-N 3.01Å; S255-D258 CarbonylContact O-C 3.41Å; S255-D258 PolarHBondContact O-N 3.28Å; S255-D258 VanDerWaalsContact O-N 3.08Å; S255-D258 WeakPolarHBondContact OG-CB 3.32Å; S255-D258 PolarHBondContact OG-N 2.89Å; S255-D258 PolarHBondContact OG-OD2 2.88Å; S255-A259 PolarHBondContact O-N 3.32Å
256L93.7Very high89.1Confident3 Ų368.8 Ų68.82%0.01639%0.394CS..G310 helixtrans-60.4-38.6172.7-78.3177.9000111.5W108 V145 Y151 Y152 Y153 W167 F240 D258 A259W108-L256 HydrophobicContact CD2-CB 3.78Å; W108-L256 VanDerWaalsContact CE2-O 3.26Å; W108-L256 HydrophobicContact CE3-CB 3.96Å; W108-L256 HydrophobicContact CE3-CD1 3.91Å; W108-L256 HydrophobicContact CE3-CG 4.38Å; W108-L256 HydrophobicContact CG-CB 4.27Å; W108-L256 HydrophobicContact CH2-CB 4.26Å; W108-L256 HydrophobicContact CH2-CD1 4.32Å; W108-L256 HydrophobicContact CH2-CD2 3.64Å; W108-L256 HydrophobicContact CH2-CG 4.31Å; W108-L256 HydrophobicContact CZ2-CB 4.07Å; W108-L256 HydrophobicContact CZ2-CD2 3.97Å; W108-L256 HydrophobicContact CZ3-CB 4.2Å; W108-L256 HydrophobicContact CZ3-CD1 3.76Å; W108-L256 HydrophobicContact CZ3-CD2 3.95Å; W108-L256 HydrophobicContact CZ3-CG 4.21Å; W108-L256 VanDerWaalsContact NE1-C 3.3Å; W108-L256 PolarHBondContact NE1-O 3.31Å; V145-L256 HydrophobicContact CG1-CD2 3.61Å; V145-L256 HydrophobicContact CG2-CD2 4.35Å; Y151-L256 HydrophobicContact CD1-CD2 4.33Å; Y151-L256 HydrophobicContact CG-CD2 4.27Å; Y152-L256 PolarHBondContact O-N 3.42Å; Y152-L256 VanDerWaalsContact O-N 3.1Å; Y153-L256 HydrophobicContact CD1-CD1 3.69Å; Y153-L256 HydrophobicContact CG-CD1 4.05Å; W167-L256 HydrophobicContact CH2-CD1 3.81Å; W167-L256 HydrophobicContact CH2-CD2 3.89Å; W167-L256 HydrophobicContact CH2-CG 4.13Å; W167-L256 HydrophobicContact CZ3-CD1 4.05Å; W167-L256 HydrophobicContact CZ3-CD2 4.1Å; F240-L256 HydrophobicContact CB-CB 4.39Å; F240-L256 HydrophobicContact CD1-CD1 3.86Å; F240-L256 HydrophobicContact CE1-CD1 4.46Å; F240-L256 PolarHBondContact O-N 2.96Å; L256-D258 PolarHBondContact O-N 2.96Å; L256-A259 WeakPolarHBondContact O-CB 3.37Å; L256-A259 PolarHBondContact O-N 3.38Å
257C91.1Very high89.2Confident42 Ų4264.5 Ų64.528%0.28437%0.368SS..G310 helixtrans-56.7-30.7172.7-77.20000114.1F240 S255F240-C257 PolarHBondContact O-N 3.37Å; F240-C257 PolarHBondContact O-SG 3.25Å; S255-C257 VanDerWaalsContact C-N 3.25Å; S255-C257 PolarHBondContact O-N 3.49Å; S255-C257 PolarHBondContact OG-N 3.01Å
258D91.2Very high89.2Confident117 Ų11769.8 Ų69.863%0.62639%0.393SS*.G310 helixtrans-977.6178.7-58.7-48.6000113.3S255 L256S255-D258 CarbonylContact O-C 3.41Å; S255-D258 PolarHBondContact O-N 3.28Å; S255-D258 VanDerWaalsContact O-N 3.08Å; S255-D258 WeakPolarHBondContact OG-CB 3.32Å; S255-D258 PolarHBondContact OG-N 2.89Å; S255-D258 PolarHBondContact OG-OD2 2.88Å; L256-D258 PolarHBondContact O-N 2.96Å
259A91.7Very high88.7Confident11 Ų1163.4 Ų63.49%0.09136%0.364CS..  trans-58.4134.917700000110.8W108 V145 Y151 S255 L256 K261 T264W108-A259 HydrophobicContact CZ2-CB 4.47Å; V145-A259 HydrophobicContact CG1-CB 3.99Å; Y151-A259 HydrophobicContact CD1-CB 3.86Å; Y151-A259 HydrophobicContact CE1-CB 3.5Å; Y151-A259 VanDerWaalsContact CE1-CB 3.5Å; S255-A259 PolarHBondContact O-N 3.32Å; L256-A259 WeakPolarHBondContact O-CB 3.37Å; L256-A259 PolarHBondContact O-N 3.38Å; A259-K261 PolarHBondContact O-N 2.94Å; A259-T264 WeakPolarHBondContact CB-OG1 3.21Å
260P91Very high87.8Confident48 Ų4867.4 Ų67.431%0.31238%0.378SS..  trans-56.3139.9175.4-24.633.7000111.2E262 F263 T264P260-E262 VanDerWaalsContact C-N 3.25Å; P260-E262 VanDerWaalsContact CB-CD 3.44Å; P260-E262 HydrophobicContact CB-CG 4.08Å; P260-E262 WeakPolarHBondContact CB-OE2 3.49Å; P260-E262 PolarHBondContact O-N 2.89Å; P260-F263 HydrophobicContact CB-CD2 3.97Å; P260-F263 HydrophobicContact CG-CD2 4.1Å; P260-F263 CarbonylContact O-C 3.58Å; P260-F263 PolarHBondContact O-N 3.01Å; P260-T264 PolarHBondContact O-N 3.01Å; P260-T264 VanDerWaalsContact O-N 3.13Å; P260-T264 PolarHBondContact O-OG1 3.04Å
261K88.6Confident86.1Confident189 Ų18966.9 Ų66.982%0.82238%0.382SS*.G310 helixtrans-63.5-34.1-174.2-70.3-177.7-178.4173.30112.2A259 F263 T264A259-K261 PolarHBondContact O-N 2.94Å; K261-F263 PolarHBondContact O-N 3.34Å; K261-T264 PolarHBondContact O-N 3.45Å
262E91.4Very high83.6Confident141 Ų14164.3 Ų64.366%0.65937%0.365SS*.G310 helixtrans-63.3-20.5175.159.9-92.4-143.300113.6P260P260-E262 VanDerWaalsContact C-N 3.25Å; P260-E262 VanDerWaalsContact CB-CD 3.44Å; P260-E262 HydrophobicContact CB-CG 4.08Å; P260-E262 WeakPolarHBondContact CB-OE2 3.49Å; P260-E262 PolarHBondContact O-N 2.89Å
263F93.7Very high80.8Confident44 Ų4468 Ų6819%0.19338%0.381CS..G310 helixtrans-110.63.9177.6-63.2-41.4000112.7V145 T146 K148 Y151 P260 K261V145-F263 CarbonylContact C-O 3.53Å; V145-F263 WeakPolarHBondContact CA-O 3.39Å; T146-F263 PolarHBondContact N-O 3.12Å; T146-F263 WeakPolarHBondContact O-CB 3.01Å; T146-F263 WeakPolarHBondContact O-CD1 3.12Å; T146-F263 WeakPolarHBondContact O-CG 3.46Å; K148-F263 HydrophobicContact CD-CZ 4.15Å; K148-F263 HydrophobicContact CG-CE1 4.03Å; K148-F263 HydrophobicContact CG-CE2 3.76Å; K148-F263 HydrophobicContact CG-CZ 3.48Å; K148-F263 VanDerWaalsContact CG-CZ 3.48Å; Y151-F263 VanDerWaalsContact OH-CB 3.23Å; Y151-F263 WeakPolarHBondContact OH-CB 3.16Å; P260-F263 HydrophobicContact CB-CD2 3.97Å; P260-F263 HydrophobicContact CG-CD2 4.1Å; P260-F263 CarbonylContact O-C 3.58Å; P260-F263 PolarHBondContact O-N 3.01Å; K261-F263 PolarHBondContact O-N 3.34Å
264T92Very high78.1Confident32 Ų3269.5 Ų69.520%0.19641%0.407CS..EExtended strand (participates in β ladder)trans-102.8130177.5-57.10000109.8W108 K143 G144 A259 P260 K261W108-T264 HydrophobicContact CZ2-CG2 3.83Å; K143-T264 HydrophobicContact CB-CG2 4.19Å; K143-T264 HydrophobicContact CD-CG2 3.89Å; G144-T264 WeakPolarHBondContact O-CA 3.38Å; A259-T264 WeakPolarHBondContact CB-OG1 3.21Å; P260-T264 PolarHBondContact O-N 3.01Å; P260-T264 VanDerWaalsContact O-N 3.13Å; P260-T264 PolarHBondContact O-OG1 3.04Å; K261-T264 PolarHBondContact O-N 3.45Å
265V90Very high75.3Confident56 Ų5669.9 Ų69.934%0.33942%0.417SS..EExtended strand (participates in β ladder)trans-120125.4179.9-1750000108.9K143 G144 T146K143-V265 CarbonylContact C-O 3.45Å; K143-V265 VanDerWaalsContact CA-O 3.23Å; K143-V265 WeakPolarHBondContact CA-O 3.49Å; G144-V265 PolarHBondContact N-O 3.15Å; G144-V265 PolarHBondContact O-N 3.03Å; T146-V265 HydrophobicContact CG2-CG2 3.52Å
266D85.7Confident72.8Confident93 Ų9379.5 Ų79.550%0.49746%0.461SS..EExtended strand (participates in β ladder)trans-74139.4173.2-64.4-49.4000110.4K143 H268K143-D266 WeakPolarHBondContact CD-OD1 3.48Å; K143-D266 WeakPolarHBondContact CE-OD1 3.5Å; K143-D266 WeakPolarHBondContact CG-OD1 3.47Å; K143-D266 IonicContact NZ-OD1 3.62Å; D266-H268 PolarHBondContact O-N 3.29Å
267S83.2Confident70.9Confident4 Ų480.3 Ų80.33%0.02847%0.47CS..  trans-62.3134.5174.7178.30000110.3N111 T142 I269 H270N111-S267 PolarHBondContact ND2-OG 3.48Å; T142-S267 WeakPolarHBondContact O-CB 3.28Å; T142-S267 PolarHBondContact O-N 3.34Å; S267-I269 VanDerWaalsContact C-N 3.28Å; S267-I269 PolarHBondContact OG-N 3.07Å; S267-I269 VanDerWaalsContact OG-N 3.15Å; S267-H270 PolarHBondContact O-CE1 3.3Å; S267-H270 PolarHBondContact O-NE2 3.37Å
268H76.8Confident70.1Confident151 Ų15183.9 Ų83.970%0.69948%0.477SS*.SBendtrans-82.3-8.1172.8-53.1-48.2000112.8D266 H270D266-H268 PolarHBondContact O-N 3.29Å; H268-H270 PolarHBondContact O-N 3.4Å
269I69.4Low69.5Low54 Ų5481 Ų8128%0.27746%0.462SS..  trans-82.597.9178.1-60171.9000107.6N111 D114 L170 S267N111-I269 PolarHBondContact ND2-O 2.87Å; D114-I269 HydrophobicContact CB-CB 4.07Å; D114-I269 HydrophobicContact CB-CG2 3.62Å; D114-I269 WeakPolarHBondContact OD1-CD1 3.22Å; D114-I269 VanDerWaalsContact OD2-CD1 3.28Å; D114-I269 WeakPolarHBondContact OD2-CD1 2.98Å; L170-I269 HydrophobicContact CD2-CD1 4.34Å; S267-I269 VanDerWaalsContact C-N 3.28Å; S267-I269 PolarHBondContact OG-N 3.07Å; S267-I269 VanDerWaalsContact OG-N 3.15Å
270H65.8Low69.3Low112 Ų11287.1 Ų87.152%0.51949%0.486SS..  trans-111.3164.8167.5-56.2-45.2000108.2S267 H268 G272S267-H270 PolarHBondContact O-CE1 3.3Å; S267-H270 PolarHBondContact O-NE2 3.37Å; H268-H270 PolarHBondContact O-N 3.4Å; H270-G272 PolarHBondContact O-N 3.28Å
271G49.8Very low69.2Low39 Ų3986.1 Ų86.140%0.40248%0.48SS..SBendtrans-54.399.6-177.700000110.4Y113Y113-G271 VanDerWaalsContact CB-N 3.26Å
272G36.6Very low69.3Low49 Ų4982.1 Ų82.151%0.50546%0.462SS..  trans56126-179.900000115.8H270 G274H270-G272 PolarHBondContact O-N 3.28Å; G272-G274 PolarHBondContact O-N 3.13Å
273S33.1Very low69.3Low139 Ų13978.2 Ų78.297%0.97245%0.449SS*.SBendtrans-59.41.6139.2-49.90000112.8A275S273-A275 PolarHBondContact O-N 3.46Å
274G37.9Very low69.3Low65 Ų6577.3 Ų77.367%0.6745%0.446SS*.SBendtrans-86.293.3165.300000110.8G272G272-G274 PolarHBondContact O-N 3.13Å
275A36.6Very low69.5Low72 Ų7276.7 Ų76.760%0.59544%0.441SS*.  trans74.795.1-178.800000114.1S273 G277S273-A275 PolarHBondContact O-N 3.46Å; A275-G277 PolarHBondContact O-N 2.78Å
276Q40.8Very low69.9Low208 Ų20874 Ų7497%0.97243%0.425SS*.  -51.771.5123.4-73.5-178.3-11.200107.8R278Q276-R278 PolarHBondContact O-N 3.12Å
277G52.8Low70.4Confident20 Ų2070.2 Ų70.221%0.20641%0.405CS..  trans-68.4124.8-178.200000105.4A275 L279A275-G277 PolarHBondContact O-N 2.78Å; G277-L279 PolarHBondContact O-N 3.38Å
278R74.2Confident71.1Confident117 Ų11770 Ų7044%0.44240%0.403SS..  trans-52.5118.4173173.3-168.460.3-177.6-2.9108.6Q276 K280 K282 E285 H362Q276-R278 PolarHBondContact O-N 3.12Å; R278-K280 WeakPolarHBondContact CD-O 3.47Å; R278-K280 HydrophobicContact CG-CB 4.46Å; R278-K280 WeakPolarHBondContact CG-O 3.21Å; R278-K280 VanDerWaalsContact CZ-O 3.29Å; R278-K280 PolarHBondContact NE-O 2.91Å; R278-K280 PolarHBondContact O-N 3.3Å; R278-K282 VanDerWaalsContact NH2-CA 3.28Å; R278-E285 IonicContact NH2-OE1 3.67Å; R278-E285 IonicContact NH2-OE2 3.37Å; R278-E285 PolarHBondContact NH2-OE2 3.35Å; R278-H362 PolarHBondContact O-NE2 3.04Å
279L79.3Confident72.1Confident58 Ų5862.9 Ų62.930%0.30437%0.37SS..SBendtrans-53.2-30.2-179.1-70.2171.7000114.5A80 K81 G277 P281 P395 D396A80-L279 HydrophobicContact CB-CD1 4.25Å; A80-L279 WeakPolarHBondContact O-CD1 3.49Å; K81-L279 HydrophobicContact CG-CD1 4.39Å; G277-L279 PolarHBondContact O-N 3.38Å; L279-P281 WeakPolarHBondContact O-CD 3.17Å; L279-P395 WeakPolarHBondContact CD2-O 3.41Å; L279-D396 HydrophobicContact CD2-CB 4.22Å
280K86.9Confident73.5Confident139 Ų13960.3 Ų60.360%0.60436%0.357SS*.SBendtrans-87.2121.8176.7-176.7174.8179.2179.40109.6I75 R278I75-K280 HydrophobicContact CG2-CB 4.07Å; I75-K280 HydrophobicContact CG2-CG 4.11Å; R278-K280 WeakPolarHBondContact CD-O 3.47Å; R278-K280 HydrophobicContact CG-CB 4.46Å; R278-K280 WeakPolarHBondContact CG-O 3.21Å; R278-K280 VanDerWaalsContact CZ-O 3.29Å; R278-K280 PolarHBondContact NE-O 2.91Å; R278-K280 PolarHBondContact O-N 3.3Å
281P89.2Confident75.1Confident26 Ų2655 Ų5517%0.16933%0.332CS..PPolyproline II helixtrans-61.5150.8173.7-16.726.2000113L279 E285 M287 H362L279-P281 WeakPolarHBondContact O-CD 3.17Å; P281-E285 HydrophobicContact CB-CB 3.94Å; P281-E285 VanDerWaalsContact CB-O 3.25Å; P281-E285 WeakPolarHBondContact CB-O 3.5Å; P281-M287 HydrophobicContact CG-CG 4.13Å; P281-M287 HydrophobicContact CG-SD 4.32Å; P281-H362 HydrophobicContact CB-CB 4.23Å; P281-H362 HydrophobicContact CG-CB 4.23Å
282K91.4Very high77.2Confident105 Ų10553.1 Ų53.146%0.45731%0.313SS..PPolyproline II helixtrans-70.8163.7166.6-111.2153.5-132.4-179.40108.3R278 N284 E285R278-K282 VanDerWaalsContact NH2-CA 3.28Å; K282-N284 WeakPolarHBondContact CB-OD1 3.45Å; K282-N284 PolarHBondContact O-N 3.32Å; K282-N284 VanDerWaalsContact O-N 3.1Å; K282-E285 HydrophobicContact CB-CB 4.26Å; K282-E285 HydrophobicContact CB-CG 3.85Å; K282-E285 WeakPolarHBondContact CB-OE2 3.29Å; K282-E285 PolarHBondContact N-OE2 3.23Å; K282-E285 PolarHBondContact O-N 3.36Å
283P91.4Very high79.8Confident60 Ų6051 Ų5139%0.3929%0.291SS..THydrogen-bonded Turntrans-50.9-37.1175.2-29.337.1000114.4L335 N336 G338 V339P283-L335 CarbonylContact C-O 3.44Å; P283-N336 VanDerWaalsContact CB-O 3.27Å; P283-N336 WeakPolarHBondContact CB-O 3.22Å; P283-G338 WeakPolarHBondContact O-CA 3.14Å; P283-V339 PolarHBondContact O-N 3.05Å; P283-V339 VanDerWaalsContact O-N 3.1Å
284N93.7Very high82.4Confident25 Ų2544.7 Ų44.713%0.13425%0.246CC..THydrogen-bonded Turntrans-97.718.2-178.372.8-39.4000115.2K282 P286 L335 Q357 S359K282-N284 WeakPolarHBondContact CB-OD1 3.45Å; K282-N284 PolarHBondContact O-N 3.32Å; K282-N284 VanDerWaalsContact O-N 3.1Å; N284-P286 VanDerWaalsContact O-CD 3.31Å; N284-P286 WeakPolarHBondContact O-CD 3.43Å; N284-L335 HydrophobicContact CB-CD1 4.34Å; N284-L335 HydrophobicContact CB-CD2 4.01Å; N284-L335 HydrophobicContact CB-CG 3.76Å; N284-Q357 VanDerWaalsContact CB-O 3.28Å; N284-Q357 WeakPolarHBondContact CB-O 3.12Å; N284-Q357 PolarHBondContact ND2-O 3.2Å; N284-S359 PolarHBondContact O-N 3.37Å
285E95.2Very high84.7Confident18 Ų1843.5 Ų43.58%0.08422%0.222CC..  trans-113.578.9178-73174.1167.700109.4R278 P281 K282 S361 H362R278-E285 IonicContact NH2-OE1 3.67Å; R278-E285 IonicContact NH2-OE2 3.37Å; R278-E285 PolarHBondContact NH2-OE2 3.35Å; P281-E285 HydrophobicContact CB-CB 3.94Å; P281-E285 VanDerWaalsContact CB-O 3.25Å; P281-E285 WeakPolarHBondContact CB-O 3.5Å; K282-E285 HydrophobicContact CB-CB 4.26Å; K282-E285 HydrophobicContact CB-CG 3.85Å; K282-E285 WeakPolarHBondContact CB-OE2 3.29Å; K282-E285 PolarHBondContact N-OE2 3.23Å; K282-E285 PolarHBondContact O-N 3.36Å; E285-S361 WeakPolarHBondContact CG-OG 3.22Å; E285-S361 PolarHBondContact OE1-OG 3.43Å; E285-S361 VanDerWaalsContact OE1-OG 3.05Å; E285-H362 HydrophobicContact CB-CB 4.29Å; E285-H362 IonicContact OE2-CE1 3.09Å; E285-H362 PolarHBondContact OE2-CE1 3.3Å; E285-H362 IonicContact OE2-ND1 3.73Å; E285-H362 PolarHBondContact OE2-ND1 3.11Å
286P97.5Very high87.1Confident0 Ų041 Ų410%020%0.198CC..  trans-63.8153.6179.128.6-36.7000112N284 V339 V342 L358 S359 H362 V363N284-P286 VanDerWaalsContact O-CD 3.31Å; N284-P286 WeakPolarHBondContact O-CD 3.43Å; P286-V339 WeakPolarHBondContact CA-O 3.34Å; P286-V342 HydrophobicContact CB-CB 4.38Å; P286-V342 HydrophobicContact CB-CG2 3.85Å; P286-V342 HydrophobicContact CG-CB 4.4Å; P286-V342 HydrophobicContact CG-CG2 3.9Å; P286-L358 HydrophobicContact CG-CD1 4.3Å; P286-L358 HydrophobicContact CG-CD2 4.39Å; P286-L358 HydrophobicContact CG-CG 4.34Å; P286-S359 WeakPolarHBondContact CD-O 3.26Å; P286-H362 CarbonylContact O-C 3.36Å; P286-V363 HydrophobicContact CG-CG2 4.43Å; P286-V363 WeakPolarHBondContact O-CG2 3.5Å; P286-V363 PolarHBondContact O-N 3.14Å
287M97.1Very high89.4Confident14 Ų1431.6 Ų31.67%0.06915%0.154CC..SBendtrans-92.4-22.6175.2-70.5179.2-79.600112.8V68 T71 M72 P281 E340 H362 R364 F365V68-M287 HydrophobicContact CG1-CE 3.82Å; V68-M287 HydrophobicContact CG2-CB 4.4Å; T71-M287 HydrophobicContact CG2-SD 3.9Å; M72-M287 HydrophobicContact CG-CE 3.7Å; M72-M287 HydrophobicContact SD-CE 4.46Å; P281-M287 HydrophobicContact CG-CG 4.13Å; P281-M287 HydrophobicContact CG-SD 4.32Å; M287-E340 HydrophobicContact CE-CB 3.78Å; M287-E340 HydrophobicContact CE-CG 3.52Å; M287-E340 PolarHBondContact N-O 2.62Å; M287-H362 WeakPolarHBondContact CA-O 3.09Å; M287-R364 PolarHBondContact O-N 3.46Å; M287-F365 PolarHBondContact O-N 3.02Å; M287-F365 VanDerWaalsContact O-N 3.09Å
288C98.3Very high91.3Very high0 Ų030.7 Ų30.70%014%0.144CC..EExtended strand (participates in β ladder)trans-128.8136176.8179.30000110.6V64 V68 E340 I341 V342 F365V64-C288 HydrophobicContact CG1-CB 4.08Å; V68-C288 HydrophobicContact CG2-CB 4.38Å; C288-E340 PolarHBondContact N-O 2.91Å; C288-E340 VanDerWaalsContact N-O 3.11Å; C288-I341 HydrophobicContact CB-CB 4.3Å; C288-I341 HydrophobicContact CB-CG1 3.98Å; C288-I341 HydrophobicContact CB-CG2 4.06Å; C288-V342 PolarHBondContact O-N 2.94Å; C288-F365 WeakPolarHBondContact CA-O 3.23Å; C288-F365 HydrophobicContact CB-CB 3.97Å; C288-F365 HydrophobicContact CB-CD2 4.45Å
289L98.4Very high92.2Very high0 Ų028 Ų280%014%0.137CC..EExtended strand (participates in β ladder)trans-125.5114.7175.5-176.360.6000109.8I291 V342 L349 L360 V363 F365 F366 I367 L386 I390L289-I291 HydrophobicContact CD1-CD1 4.1Å; L289-I291 HydrophobicContact CD2-CD1 4.21Å; L289-I291 HydrophobicContact CG-CD1 3.83Å; L289-V342 WeakPolarHBondContact CA-O 3.46Å; L289-V342 HydrophobicContact CD1-CB 4.04Å; L289-V342 HydrophobicContact CD1-CG1 3.72Å; L289-L349 HydrophobicContact CD1-CD1 4.06Å; L289-L349 HydrophobicContact CD1-CD2 3.86Å; L289-L349 HydrophobicContact CD2-CD2 4.13Å; L289-L349 HydrophobicContact CG-CD2 4.35Å; L289-L360 HydrophobicContact CD2-CD2 3.76Å; L289-V363 HydrophobicContact CB-CG1 4.01Å; L289-V363 HydrophobicContact CB-CG2 4.36Å; L289-F365 PolarHBondContact N-O 2.84Å; L289-F366 HydrophobicContact CD2-CD2 4.38Å; L289-F366 HydrophobicContact CD2-CE2 4.49Å; L289-F366 HydrophobicContact CG-CD2 4.49Å; L289-I367 PolarHBondContact O-N 2.89Å; L289-L386 HydrophobicContact CD2-CD1 4.1Å; L289-L386 HydrophobicContact CD2-CD2 3.8Å; L289-L386 HydrophobicContact CD2-CG 4.26Å; L289-I390 HydrophobicContact CD2-CD1 4.5Å
290I98.5Very high92.7Very high0 Ų027.6 Ų27.60%013%0.133CC..EExtended strand (participates in β ladder)trans-106.8125.5176.5-56.4159.1000108.4F60 E292 T301 M305 I341 V342 T343 A344 I367F60-I290 HydrophobicContact CE2-CD1 4.05Å; F60-I290 HydrophobicContact CE2-CG1 4.39Å; F60-I290 HydrophobicContact CE2-CG2 4.39Å; I290-E292 HydrophobicContact CG2-CG 4.28Å; I290-T301 HydrophobicContact CD1-CG2 4.23Å; I290-T301 HydrophobicContact CG2-CG2 4.34Å; I290-M305 HydrophobicContact CD1-CE 3.69Å; I290-I341 HydrophobicContact CD1-CG2 3.99Å; I290-V342 PolarHBondContact N-O 3.46Å; I290-T343 HydrophobicContact CB-CG2 4.18Å; I290-T343 HydrophobicContact CG2-CG2 4.14Å; I290-T343 CarbonylContact O-C 3.43Å; I290-T343 WeakPolarHBondContact O-CA 3.4Å; I290-A344 PolarHBondContact O-N 3.23Å; I290-I367 CarbonylContact C-O 3.25Å; I290-I367 WeakPolarHBondContact CA-O 3.45Å; I290-I367 HydrophobicContact CB-CB 4.37Å; I290-I367 HydrophobicContact CG1-CB 4.01Å; I290-I367 HydrophobicContact CG1-CD1 4.02Å; I290-I367 HydrophobicContact CG1-CG1 4.3Å; I290-I367 HydrophobicContact CG2-CB 4.34Å; I290-I367 HydrophobicContact CG2-CG2 4.32Å
291I97.7Very high93Very high0 Ų021 Ų210%011%0.105CC..EExtended strand (participates in β ladder)trans-105.2128.4178.3-50.6-55.7000109.4L289 A344 P346 L349 F366 I367 L368 D369 L374 F382 L386L289-I291 HydrophobicContact CD1-CD1 4.1Å; L289-I291 HydrophobicContact CD2-CD1 4.21Å; L289-I291 HydrophobicContact CG-CD1 3.83Å; I291-A344 WeakPolarHBondContact CA-O 3.17Å; I291-P346 HydrophobicContact CG2-CG 3.95Å; I291-L349 HydrophobicContact CD1-CD2 3.22Å; I291-F366 HydrophobicContact CD1-CE2 4.32Å; I291-F366 HydrophobicContact CG1-CD2 4.42Å; I291-F366 HydrophobicContact CG1-CE2 3.61Å; I291-F366 HydrophobicContact CG1-CZ 4.47Å; I291-I367 PolarHBondContact N-O 3.45Å; I291-L368 HydrophobicContact CB-CD2 3.83Å; I291-L368 HydrophobicContact CG1-CD2 3.83Å; I291-D369 PolarHBondContact O-N 2.83Å; I291-L374 HydrophobicContact CB-CD1 4.16Å; I291-L374 HydrophobicContact CG2-CD1 3.75Å; I291-L374 HydrophobicContact CG2-CD2 3.76Å; I291-L374 HydrophobicContact CG2-CG 4.45Å; I291-F382 HydrophobicContact CG2-CE1 4.45Å; I291-L386 HydrophobicContact CD1-CD2 3.91Å; I291-L386 HydrophobicContact CG1-CD2 4.19Å
292E94.7Very high93.3Very high0 Ų021.3 Ų21.30%011%0.105CC..  trans-124.3138.5-178.2-69.5-79.6-165.200110I290 S294 L297 A298 T301 T343 A344 P346 D369I290-E292 HydrophobicContact CG2-CG 4.28Å; E292-S294 VanDerWaalsContact C-N 3.27Å; E292-S294 PolarHBondContact O-N 3.15Å; E292-L297 HydrophobicContact CB-CB 4.17Å; E292-L297 HydrophobicContact CG-CB 4.39Å; E292-L297 WeakPolarHBondContact OE2-CB 3.31Å; E292-A298 HydrophobicContact CB-CB 3.97Å; E292-A298 HydrophobicContact CG-CB 4.2Å; E292-T301 WeakPolarHBondContact OE1-CB 3.43Å; E292-T301 PolarHBondContact OE1-OG1 3.19Å; E292-T343 HydrophobicContact CG-CG2 3.79Å; E292-A344 PolarHBondContact N-O 2.86Å; E292-P346 WeakPolarHBondContact O-CD 3.42Å; E292-D369 WeakPolarHBondContact OE1-CB 3.38Å
293P90.5Very high93.4Very high6 Ų618.6 Ų18.64%0.03910%0.102CC..SBendtrans-71.9-19.5-178.122.5-28.8000113.7L297 D369 E370 L374 Q377P293-L297 HydrophobicContact CG-CD1 3.58Å; P293-D369 WeakPolarHBondContact CD-O 3.2Å; P293-E370 HydrophobicContact CG-CB 3.57Å; P293-E370 HydrophobicContact CG-CG 4.5Å; P293-L374 HydrophobicContact CB-CD2 3.92Å; P293-L374 HydrophobicContact CB-CG 4.11Å; P293-L374 HydrophobicContact CG-CG 4.45Å; P293-Q377 PolarHBondContact O-NE2 2.87Å; P293-Q377 VanDerWaalsContact O-NE2 3.1Å
294S88.3Confident93.6Very high6 Ų617.3 Ų17.34%0.0429%0.091CC..SBendtrans-134.9156.6179.984.10000111.6E292 E296 L297 A298 T345 R587E292-S294 VanDerWaalsContact C-N 3.27Å; E292-S294 PolarHBondContact O-N 3.15Å; S294-E296 VanDerWaalsContact C-N 3.31Å; S294-L297 WeakPolarHBondContact OG-CG 3.44Å; S294-L297 PolarHBondContact OG-N 3.32Å; S294-A298 PolarHBondContact O-N 3.02Å; S294-A298 VanDerWaalsContact O-N 3.12Å; S294-T345 VanDerWaalsContact C-CG2 3.43Å; S294-T345 WeakPolarHBondContact O-CG2 3.31Å; S294-R587 PolarHBondContact OG-O 3.07Å; S294-R587 VanDerWaalsContact OG-O 3.07Å
295R87.2Confident93.6Very high40 Ų4016.1 Ų16.115%0.1519%0.085CC..Hα-helixtrans-64-39.9176167.4174.7173.5161.3-2.3111.4L297 A298 E299 V323 G324 P561R295-L297 VanDerWaalsContact C-N 3.32Å; R295-A298 WeakPolarHBondContact O-CB 3.44Å; R295-A298 PolarHBondContact O-N 3.04Å; R295-E299 HydrophobicContact CG-CG 4.35Å; R295-E299 IonicContact CZ-OE1 3.42Å; R295-E299 VanDerWaalsContact CZ-OE1 3.23Å; R295-E299 IonicContact NE-OE1 2.62Å; R295-E299 PolarHBondContact NE-OE1 3.28Å; R295-E299 IonicContact NH2-OE1 3.99Å; R295-E299 PolarHBondContact NH2-OE1 3.34Å; R295-E299 WeakPolarHBondContact O-CG 3.49Å; R295-E299 PolarHBondContact O-N 3.04Å; R295-V323 HydrophobicContact CB-CB 4.32Å; R295-V323 HydrophobicContact CB-CG1 4.16Å; R295-V323 HydrophobicContact CG-CB 4.04Å; R295-V323 HydrophobicContact CG-CG1 4.06Å; R295-V323 HydrophobicContact CG-CG2 4Å; R295-G324 PolarHBondContact NH1-O 3.38Å; R295-G324 VanDerWaalsContact NH1-O 3.08Å; R295-P561 VanDerWaalsContact CZ-CB 3.45Å; R295-P561 VanDerWaalsContact NH1-CG 3.25Å
296E85.6Confident93.6Very high19 Ų1917.5 Ų17.59%0.08910%0.099CC..Hα-helixtrans-64.5-39.9-177.7-69.963.2-145.800111S294 Q300 R564S294-E296 VanDerWaalsContact C-N 3.31Å; E296-Q300 WeakPolarHBondContact O-CB 3.33Å; E296-Q300 PolarHBondContact O-N 3.29Å; E296-R564 IonicContact OE1-CZ 2.81Å; E296-R564 IonicContact OE1-NE 3.7Å; E296-R564 PolarHBondContact OE1-NE 3.42Å; E296-R564 IonicContact OE1-NH1 3.54Å; E296-R564 PolarHBondContact OE1-NH1 3.13Å; E296-R564 IonicContact OE1-NH2 2.73Å; E296-R564 PolarHBondContact OE1-NH2 2.9Å; E296-R564 IonicContact OE2-CZ 3.74Å; E296-R564 IonicContact OE2-NH1 2.74Å; E296-R564 PolarHBondContact OE2-NH1 3.07Å; E296-R564 IonicContact OE2-NH2 3.64Å; E296-R564 PolarHBondContact OE2-NH2 2.94Å
297L88.9Confident93.5Very high11 Ų1122.4 Ų22.46%0.05812%0.12CC..Hα-helixtrans-63.5-46.8171.3-77.6168.4000111.7E292 P293 S294 R295 E299 Q300 T301 E370 R587 G588E292-L297 HydrophobicContact CB-CB 4.17Å; E292-L297 HydrophobicContact CG-CB 4.39Å; E292-L297 WeakPolarHBondContact OE2-CB 3.31Å; P293-L297 HydrophobicContact CG-CD1 3.58Å; S294-L297 WeakPolarHBondContact OG-CG 3.44Å; S294-L297 PolarHBondContact OG-N 3.32Å; R295-L297 VanDerWaalsContact C-N 3.32Å; L297-E299 VanDerWaalsContact C-N 3.32Å; L297-E299 PolarHBondContact O-N 2.79Å; L297-Q300 WeakPolarHBondContact O-CB 3.28Å; L297-Q300 PolarHBondContact O-N 3.34Å; L297-T301 PolarHBondContact O-N 3.36Å; L297-T301 PolarHBondContact O-OG1 3.21Å; L297-E370 HydrophobicContact CD1-CB 4.26Å; L297-E370 HydrophobicContact CD1-CG 3.84Å; L297-E370 HydrophobicContact CD2-CG 4.32Å; L297-R587 HydrophobicContact CD1-CB 3.87Å; L297-G588 VanDerWaalsContact CG-CA 3.48Å
298A93.7Very high93.4Very high0 Ų021.7 Ų21.70%012%0.117CC..Hα-helixtrans-57.5-4417700000112.8E292 S294 R295 D302 V321 V323 T343E292-A298 HydrophobicContact CB-CB 3.97Å; E292-A298 HydrophobicContact CG-CB 4.2Å; S294-A298 PolarHBondContact O-N 3.02Å; S294-A298 VanDerWaalsContact O-N 3.12Å; R295-A298 WeakPolarHBondContact O-CB 3.44Å; R295-A298 PolarHBondContact O-N 3.04Å; A298-D302 VanDerWaalsContact O-CB 3.32Å; A298-D302 WeakPolarHBondContact O-CB 3.33Å; A298-D302 PolarHBondContact O-N 3.46Å; A298-V321 HydrophobicContact CB-CG1 3.93Å; A298-V323 HydrophobicContact CB-CG1 3.94Å; A298-T343 HydrophobicContact CB-CG2 3.88Å
299E92.3Very high93.3Very high61 Ų6123.7 Ų23.729%0.28513%0.125SC..Hα-helixtrans-66.3-36.1174.9-71-179.4-178.500112.2R295 L297 A303 V321R295-E299 HydrophobicContact CG-CG 4.35Å; R295-E299 IonicContact CZ-OE1 3.42Å; R295-E299 VanDerWaalsContact CZ-OE1 3.23Å; R295-E299 IonicContact NE-OE1 2.62Å; R295-E299 PolarHBondContact NE-OE1 3.28Å; R295-E299 IonicContact NH2-OE1 3.99Å; R295-E299 PolarHBondContact NH2-OE1 3.34Å; R295-E299 WeakPolarHBondContact O-CG 3.49Å; R295-E299 PolarHBondContact O-N 3.04Å; L297-E299 VanDerWaalsContact C-N 3.32Å; L297-E299 PolarHBondContact O-N 2.79Å; E299-A303 WeakPolarHBondContact O-CB 3.32Å; E299-A303 PolarHBondContact O-N 2.97Å; E299-V321 HydrophobicContact CG-CG1 4.38Å
300Q89.4Confident93.1Very high49 Ų4929.1 Ų29.123%0.22915%0.149CC..Hα-helixtrans-67.9-46.8176.9179.7177.4-13.100111.9E296 L297 D302 A303 Q304 G588E296-Q300 WeakPolarHBondContact O-CB 3.33Å; E296-Q300 PolarHBondContact O-N 3.29Å; L297-Q300 WeakPolarHBondContact O-CB 3.28Å; L297-Q300 PolarHBondContact O-N 3.34Å; Q300-D302 VanDerWaalsContact C-N 3.33Å; Q300-D302 PolarHBondContact O-N 2.83Å; Q300-A303 PolarHBondContact O-N 3.1Å; Q300-Q304 WeakPolarHBondContact O-CG 3.23Å; Q300-Q304 PolarHBondContact O-N 2.67Å; Q300-G588 PolarHBondContact OE1-O 2.92Å; Q300-G588 VanDerWaalsContact OE1-O 3.07Å
301T94.8Very high93Very high1 Ų131.3 Ų31.31%0.00616%0.158CC..Hα-helixtrans-61.2-42.8177.2-67.90000110.8T57 F60 I290 E292 L297 Q304 M305 T343T57-T301 HydrophobicContact CG2-CG2 4.2Å; F60-T301 HydrophobicContact CE2-CG2 4.33Å; F60-T301 HydrophobicContact CZ-CG2 4.15Å; I290-T301 HydrophobicContact CD1-CG2 4.23Å; I290-T301 HydrophobicContact CG2-CG2 4.34Å; E292-T301 WeakPolarHBondContact OE1-CB 3.43Å; E292-T301 PolarHBondContact OE1-OG1 3.19Å; L297-T301 PolarHBondContact O-N 3.36Å; L297-T301 PolarHBondContact O-OG1 3.21Å; T301-Q304 PolarHBondContact O-N 3.26Å; T301-M305 WeakPolarHBondContact O-CB 3.25Å; T301-M305 PolarHBondContact O-N 3.03Å; T301-T343 HydrophobicContact CG2-CG2 4.09Å
302D95.6Very high92.9Very high33 Ų3331.4 Ų31.418%0.17616%0.158CC..Hα-helixtrans-63.9-40.5174.9-169.187.5000113.2A298 Q300 Q304 M305 A306 N319 V321A298-D302 VanDerWaalsContact O-CB 3.32Å; A298-D302 WeakPolarHBondContact O-CB 3.33Å; A298-D302 PolarHBondContact O-N 3.46Å; Q300-D302 VanDerWaalsContact C-N 3.33Å; Q300-D302 PolarHBondContact O-N 2.83Å; D302-Q304 VanDerWaalsContact C-N 3.35Å; D302-Q304 PolarHBondContact O-N 2.95Å; D302-M305 WeakPolarHBondContact O-CB 3.3Å; D302-M305 PolarHBondContact O-N 3.35Å; D302-A306 WeakPolarHBondContact O-CB 3.35Å; D302-A306 PolarHBondContact O-N 3.16Å; D302-N319 PolarHBondContact OD1-ND2 3.28Å; D302-N319 PolarHBondContact OD2-ND2 2.86Å; D302-V321 HydrophobicContact CB-CG2 3.19Å; D302-V321 WeakPolarHBondContact OD1-CG2 3.46Å
303A93.6Very high92.8Very high48 Ų4836.9 Ų36.940%0.39718%0.184SC..Hα-helixtrans-64.6-36.6174.600000112.8E299 Q300 K307E299-A303 WeakPolarHBondContact O-CB 3.32Å; E299-A303 PolarHBondContact O-N 2.97Å; Q300-A303 PolarHBondContact O-N 3.1Å; A303-K307 WeakPolarHBondContact O-CG 3.24Å; A303-K307 PolarHBondContact O-N 3.09Å
304Q93.5Very high92.9Very high33 Ų3342.7 Ų42.715%0.15421%0.214CC..Hα-helixtrans-68.4-45.1172.8-67.7-63.1-28.900111T57 Q300 T301 D302 A306 K307 F308T57-Q304 HydrophobicContact CG2-CB 4.05Å; T57-Q304 HydrophobicContact CG2-CG 4.24Å; Q300-Q304 WeakPolarHBondContact O-CG 3.23Å; Q300-Q304 PolarHBondContact O-N 2.67Å; T301-Q304 PolarHBondContact O-N 3.26Å; D302-Q304 VanDerWaalsContact C-N 3.35Å; D302-Q304 PolarHBondContact O-N 2.95Å; Q304-A306 VanDerWaalsContact C-N 3.26Å; Q304-A306 PolarHBondContact O-N 2.97Å; Q304-K307 WeakPolarHBondContact O-CB 3.06Å; Q304-K307 PolarHBondContact O-N 3.46Å; Q304-F308 HydrophobicContact CB-CD2 4.37Å; Q304-F308 HydrophobicContact CB-CE2 3.72Å; Q304-F308 HydrophobicContact CB-CZ 4.06Å; Q304-F308 WeakPolarHBondContact O-CD2 3.42Å; Q304-F308 VanDerWaalsContact O-CG 3.28Å; Q304-F308 WeakPolarHBondContact O-CG 3.26Å; Q304-F308 PolarHBondContact O-N 3.41Å
305M95.2Very high93.1Very high0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-53.4-43.9174.7-165.569.472.400111.8C61 L65 I290 T301 D302 K307 F308 K309 N319 I341C61-M305 HydrophobicContact CB-CE 3.91Å; C61-M305 HydrophobicContact CB-SD 4.11Å; C61-M305 WeakPolarHBondContact SG-CE 3.36Å; L65-M305 HydrophobicContact CD1-CG 4.4Å; L65-M305 HydrophobicContact CD1-SD 3.43Å; L65-M305 WeakPolarHBondContact CD1-SD 3.42Å; L65-M305 HydrophobicContact CD2-CG 4.16Å; L65-M305 HydrophobicContact CD2-SD 3.48Å; L65-M305 WeakPolarHBondContact CD2-SD 3.41Å; L65-M305 HydrophobicContact CG-CG 4.47Å; L65-M305 HydrophobicContact CG-SD 3.27Å; L65-M305 WeakPolarHBondContact CG-SD 3.05Å; I290-M305 HydrophobicContact CD1-CE 3.69Å; T301-M305 WeakPolarHBondContact O-CB 3.25Å; T301-M305 PolarHBondContact O-N 3.03Å; D302-M305 WeakPolarHBondContact O-CB 3.3Å; D302-M305 PolarHBondContact O-N 3.35Å; M305-K307 VanDerWaalsContact C-N 3.31Å; M305-K307 PolarHBondContact O-N 3.33Å; M305-F308 PolarHBondContact O-N 2.92Å; M305-K309 WeakPolarHBondContact O-CB 3.44Å; M305-K309 VanDerWaalsContact O-CG 3.31Å; M305-K309 WeakPolarHBondContact O-CG 3.45Å; M305-K309 PolarHBondContact O-N 3.49Å; M305-N319 HydrophobicContact CG-CB 4.22Å; M305-I341 HydrophobicContact CE-CD1 4.33Å; M305-I341 HydrophobicContact CE-CG2 4.15Å; M305-I341 HydrophobicContact SD-CD1 4.04Å
306A94.9Very high93.4Very high46 Ų4645.1 Ų45.138%0.3823%0.233SC..Hα-helixtrans-62.9-33.8177.800000113.4D302 Q304D302-A306 WeakPolarHBondContact O-CB 3.35Å; D302-A306 PolarHBondContact O-N 3.16Å; Q304-A306 VanDerWaalsContact C-N 3.26Å; Q304-A306 PolarHBondContact O-N 2.97Å
307K94.9Very high94Very high103 Ų10344.2 Ų44.245%0.44823%0.229SC..Hα-helixtrans-71.2-50.3173.6-66.1173.1-176.81790110.9M24 A303 Q304 M305 K309 K310M24-K307 HydrophobicContact CE-CD 4.11Å; M24-K307 HydrophobicContact SD-CB 3.84Å; M24-K307 HydrophobicContact SD-CD 4.1Å; A303-K307 WeakPolarHBondContact O-CG 3.24Å; A303-K307 PolarHBondContact O-N 3.09Å; Q304-K307 WeakPolarHBondContact O-CB 3.06Å; Q304-K307 PolarHBondContact O-N 3.46Å; M305-K307 VanDerWaalsContact C-N 3.31Å; M305-K307 PolarHBondContact O-N 3.33Å; K307-K309 VanDerWaalsContact C-N 3.29Å; K307-K309 PolarHBondContact O-N 3.21Å; K307-K310 VanDerWaalsContact O-CB 3.24Å; K307-K310 WeakPolarHBondContact O-CB 3.24Å; K307-K310 PolarHBondContact O-N 2.87Å
308F95.2Very high94.3Very high0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-62.5-34.4-176-59.5-34.7000113.3V21 M24 W26 C61 L62 L65 Q304 M305 K310V21-F308 HydrophobicContact CG2-CD1 4.5Å; M24-F308 HydrophobicContact CE-CD1 4.43Å; M24-F308 HydrophobicContact CE-CE1 3.65Å; M24-F308 HydrophobicContact CE-CZ 4.37Å; M24-F308 HydrophobicContact SD-CD1 3.86Å; M24-F308 HydrophobicContact SD-CE1 3.65Å; W26-F308 AromaticContact CH2-CE1 3.92Å; W26-F308 HydrophobicContact CH2-CE1 3.92Å; W26-F308 AromaticContact CH2-CZ 3.8Å; W26-F308 HydrophobicContact CH2-CZ 3.8Å; W26-F308 HydrophobicContact CZ2-CE1 4.45Å; W26-F308 HydrophobicContact CZ2-CZ 4.49Å; W26-F308 HydrophobicContact CZ3-CE1 4.18Å; W26-F308 HydrophobicContact CZ3-CZ 4.32Å; C61-F308 HydrophobicContact CB-CD2 3.64Å; C61-F308 HydrophobicContact CB-CE2 3.77Å; L62-F308 HydrophobicContact CD2-CB 3.95Å; L62-F308 HydrophobicContact CD2-CD1 3.72Å; L62-F308 HydrophobicContact CD2-CD2 4.14Å; L62-F308 HydrophobicContact CD2-CE1 4.23Å; L62-F308 HydrophobicContact CD2-CG 3.67Å; L65-F308 HydrophobicContact CD1-CB 3.44Å; L65-F308 VanDerWaalsContact CD1-CB 3.44Å; L65-F308 HydrophobicContact CD1-CG 4.49Å; Q304-F308 HydrophobicContact CB-CD2 4.37Å; Q304-F308 HydrophobicContact CB-CE2 3.72Å; Q304-F308 HydrophobicContact CB-CZ 4.06Å; Q304-F308 WeakPolarHBondContact O-CD2 3.42Å; Q304-F308 VanDerWaalsContact O-CG 3.28Å; Q304-F308 WeakPolarHBondContact O-CG 3.26Å; Q304-F308 PolarHBondContact O-N 3.41Å; M305-F308 PolarHBondContact O-N 2.92Å; F308-K310 VanDerWaalsContact C-N 3.33Å; F308-K310 PolarHBondContact O-N 3.35Å
309K96Very high94.5Very high41 Ų4149.9 Ų49.918%0.17825%0.252CS..THydrogen-bonded Turntrans-84.70.4-179.279-179.3-170165.70114.7L65 M305 K307 Y311 L312 V317 N319L65-K309 HydrophobicContact CD1-CB 4.12Å; L65-K309 HydrophobicContact CD2-CB 3.85Å; M305-K309 WeakPolarHBondContact O-CB 3.44Å; M305-K309 VanDerWaalsContact O-CG 3.31Å; M305-K309 WeakPolarHBondContact O-CG 3.45Å; M305-K309 PolarHBondContact O-N 3.49Å; K307-K309 VanDerWaalsContact C-N 3.29Å; K307-K309 PolarHBondContact O-N 3.21Å; K309-Y311 PolarHBondContact O-N 2.95Å; K309-L312 HydrophobicContact CB-CD1 4.13Å; K309-L312 WeakPolarHBondContact O-CB 3.28Å; K309-L312 PolarHBondContact O-N 2.84Å; K309-V317 WeakPolarHBondContact CD-O 3.46Å; K309-V317 PolarHBondContact NZ-O 3.4Å; K309-N319 WeakPolarHBondContact CD-OD1 3.26Å; K309-N319 WeakPolarHBondContact CE-OD1 3.11Å; K309-N319 PolarHBondContact NZ-OD1 3.12Å
310K95.3Very high94.7Very high114 Ų11448.2 Ų48.250%0.49625%0.245SC..THydrogen-bonded Turntrans-49.9-36-169.1179.5-179.8174.5-171.30114.2E23 K307 F308E23-K310 IonicContact OE1-NZ 3.96Å; E23-K310 IonicContact OE2-NZ 3.98Å; E23-K310 PolarHBondContact OE2-NZ 2.67Å; K307-K310 VanDerWaalsContact O-CB 3.24Å; K307-K310 WeakPolarHBondContact O-CB 3.24Å; K307-K310 PolarHBondContact O-N 2.87Å; F308-K310 VanDerWaalsContact C-N 3.33Å; F308-K310 PolarHBondContact O-N 3.35Å
311Y95.5Very high95.1Very high47 Ų4747 Ų4718%0.18424%0.241CC..THydrogen-bonded Turntrans-1044.6-178.6-65.1-63.7000114.3E16 K19 A20 E23 K309 E313E16-Y311 WeakPolarHBondContact O-CB 3.38Å; K19-Y311 HydrophobicContact CB-CD2 3.92Å; K19-Y311 HydrophobicContact CB-CE2 4.25Å; K19-Y311 HydrophobicContact CD-CD1 4.1Å; K19-Y311 HydrophobicContact CD-CD2 3.73Å; K19-Y311 HydrophobicContact CD-CE1 4.07Å; K19-Y311 HydrophobicContact CD-CE2 3.68Å; K19-Y311 HydrophobicContact CD-CG 3.95Å; K19-Y311 VanDerWaalsContact CE-CZ 3.46Å; K19-Y311 HydrophobicContact CG-CD2 3.78Å; K19-Y311 HydrophobicContact CG-CE2 3.64Å; K19-Y311 HydrophobicContact CG-CG 4.48Å; K19-Y311 VanDerWaalsContact NZ-CE1 3.29Å; A20-Y311 HydrophobicContact CB-CD2 3.98Å; A20-Y311 HydrophobicContact CB-CE2 4.47Å; E23-Y311 VanDerWaalsContact CD-OH 3.24Å; E23-Y311 PolarHBondContact OE1-OH 3.16Å; E23-Y311 PolarHBondContact OE2-OH 3.23Å; K309-Y311 PolarHBondContact O-N 2.95Å; Y311-E313 PolarHBondContact O-N 2.9Å; Y311-E313 VanDerWaalsContact O-N 3.15Å
312L95.2Very high95.3Very high2 Ų247 Ų471%0.0124%0.241CC..  trans-8193.5174.1-64.8-178.8000109.7E16 I17 L65 W69 K309 V317E16-L312 HydrophobicContact CB-CD2 3.86Å; I17-L312 HydrophobicContact CD1-CD1 4.21Å; I17-L312 HydrophobicContact CD1-CD2 4.42Å; I17-L312 HydrophobicContact CG1-CD1 4.12Å; I17-L312 HydrophobicContact CG1-CD2 3.91Å; I17-L312 HydrophobicContact CG1-CG 4.18Å; L65-L312 HydrophobicContact CB-CD1 4.1Å; L65-L312 HydrophobicContact CD2-CD1 4.36Å; W69-L312 HydrophobicContact CB-CD1 4.27Å; W69-L312 HydrophobicContact CD2-CD2 3.86Å; W69-L312 HydrophobicContact CE3-CD2 4.16Å; W69-L312 HydrophobicContact CG-CB 4.33Å; W69-L312 HydrophobicContact CG-CD1 4.37Å; W69-L312 HydrophobicContact CG-CD2 4.14Å; W69-L312 HydrophobicContact CH2-CD2 4.31Å; W69-L312 HydrophobicContact CZ2-CD2 4.13Å; W69-L312 HydrophobicContact CZ3-CD2 4.41Å; K309-L312 HydrophobicContact CB-CD1 4.13Å; K309-L312 WeakPolarHBondContact O-CB 3.28Å; K309-L312 PolarHBondContact O-N 2.84Å; L312-V317 HydrophobicContact CD1-CG2 4.41Å
313E93.7Very high95.3Very high114 Ų11445.6 Ų45.653%0.53323%0.233SC..THydrogen-bonded Turntrans-111.8160.6-179.5-62.7180-171.500112W69 Y311 P315W69-E313 WeakPolarHBondContact CZ2-O 3.47Å; W69-E313 PolarHBondContact NE1-O 3.42Å; Y311-E313 PolarHBondContact O-N 2.9Å; Y311-E313 VanDerWaalsContact O-N 3.15Å; E313-P315 CarbonylContact C-O 3.54Å; E313-P315 VanDerWaalsContact C-O 3.26Å
314N91.4Very high95.1Very high128 Ų12845 Ų4568%0.68423%0.232SC*.THydrogen-bonded Turntrans46.565.4173.2-61.7-52.4000114.3K73K73-N314 WeakPolarHBondContact CE-O 3.4Å
315P92.7Very high94.7Very high11 Ų1146.3 Ų46.37%0.07125%0.254CS..THydrogen-bonded Turncis-92.1163.77.129-25.2000114.8W69 M72 E313W69-P315 PolarHBondContact NE1-O 2.75Å; M72-P315 HydrophobicContact CB-CG 3.42Å; M72-P315 VanDerWaalsContact CB-CG 3.42Å; M72-P315 HydrophobicContact CE-CB 3.77Å; M72-P315 HydrophobicContact CE-CG 3.82Å; M72-P315 HydrophobicContact CG-CG 4.36Å; M72-P315 HydrophobicContact SD-CG 4.14Å; E313-P315 CarbonylContact C-O 3.54Å; E313-P315 VanDerWaalsContact C-O 3.26Å
316V94.8Very high94.4Very high86 Ų8648.6 Ų48.652%0.52127%0.268SS..THydrogen-bonded Turntrans-85.2126.6168.7178.40000109.1
317V96.6Very high94.3Very high1 Ų149 Ų491%0.00627%0.271CS..PPolyproline II helixtrans-73.8130.1173.3-173.70000109.4L65 V68 W69 M72 K309 L312 E340 I341L65-V317 HydrophobicContact CD2-CB 4.42Å; L65-V317 HydrophobicContact CD2-CG1 4.14Å; V68-V317 HydrophobicContact CG1-CG1 3.95Å; W69-V317 HydrophobicContact CB-CG2 3.8Å; W69-V317 HydrophobicContact CG-CG2 4.19Å; M72-V317 HydrophobicContact SD-CB 4.5Å; M72-V317 HydrophobicContact SD-CG2 4Å; K309-V317 WeakPolarHBondContact CD-O 3.46Å; K309-V317 PolarHBondContact NZ-O 3.4Å; L312-V317 HydrophobicContact CD1-CG2 4.41Å; V317-E340 HydrophobicContact CG1-CB 4.22Å; V317-I341 HydrophobicContact CG1-CD1 3.9Å; V317-I341 HydrophobicContact CG1-CG1 4.1Å
318R96.8Very high94.3Very high104 Ų10445.5 Ų45.539%0.39226%0.262SS..  trans-104.5134.6174.2-67.8168.8-68.7-172.79.5110.9S337 G338 E340 I341R318-S337 PolarHBondContact NH1-O 2.98Å; R318-G338 VanDerWaalsContact CD-O 3.27Å; R318-G338 WeakPolarHBondContact CD-O 3.21Å; R318-G338 PolarHBondContact NE-O 3.46Å; R318-G338 PolarHBondContact NH2-O 2.88Å; R318-E340 WeakPolarHBondContact CA-OE2 3.43Å; R318-E340 WeakPolarHBondContact CB-OE2 3.3Å; R318-E340 IonicContact CZ-OE1 2.99Å; R318-E340 PolarHBondContact N-OE2 3.14Å; R318-E340 IonicContact NE-OE1 2.73Å; R318-E340 IonicContact NE-OE2 3.64Å; R318-E340 IonicContact NH2-OE1 3.34Å; R318-E340 PolarHBondContact NH2-OE1 3.44Å; R318-E340 PolarHBondContact O-N 3.2Å; R318-I341 PolarHBondContact O-N 3.02Å; R318-I341 VanDerWaalsContact O-N 3.08Å
319N97Very high94.3Very high25 Ų2553.8 Ų53.813%0.13430%0.298CS..EExtended strand (participates in β ladder)trans-120.4150174.452.6-77000110.1D302 M305 K309 I341D302-N319 PolarHBondContact OD1-ND2 3.28Å; D302-N319 PolarHBondContact OD2-ND2 2.86Å; M305-N319 HydrophobicContact CG-CB 4.22Å; K309-N319 WeakPolarHBondContact CD-OD1 3.26Å; K309-N319 WeakPolarHBondContact CE-OD1 3.11Å; K309-N319 PolarHBondContact NZ-OD1 3.12Å; N319-I341 CarbonylContact C-O 3.52Å; N319-I341 WeakPolarHBondContact CA-O 3.31Å; N319-I341 HydrophobicContact CB-CB 4.09Å; N319-I341 HydrophobicContact CB-CG2 4.48Å
320L97.5Very high94.3Very high27 Ų2756.9 Ų56.914%0.14132%0.316CS..EExtended strand (participates in β ladder)trans-140.5134.7178.617963.9000110.9I322 A334 L335 V339 I341 V342 T343L320-I322 HydrophobicContact CD2-CD1 4.33Å; L320-I322 HydrophobicContact CD2-CG1 4.1Å; L320-I322 HydrophobicContact CG-CG1 4.15Å; L320-A334 HydrophobicContact CD1-CB 3.73Å; L320-A334 HydrophobicContact CD2-CB 3.91Å; L320-A334 HydrophobicContact CG-CB 4.48Å; L320-L335 HydrophobicContact CD2-CB 4.09Å; L320-V339 HydrophobicContact CB-CB 4.41Å; L320-V339 HydrophobicContact CB-CG1 3.71Å; L320-V339 HydrophobicContact CB-CG2 3.82Å; L320-V339 HydrophobicContact CD2-CG2 4.08Å; L320-I341 PolarHBondContact N-O 3.4Å; L320-V342 WeakPolarHBondContact O-CA 3.48Å; L320-T343 PolarHBondContact O-N 3.16Å
321V97.8Very high94.3Very high24 Ų2451.8 Ų51.815%0.14529%0.294CS..EExtended strand (participates in β ladder)trans-85.5123.6169.2-177.50000110.8A298 E299 D302 V323 T343A298-V321 HydrophobicContact CB-CG1 3.93Å; E299-V321 HydrophobicContact CG-CG1 4.38Å; D302-V321 HydrophobicContact CB-CG2 3.19Å; D302-V321 WeakPolarHBondContact OD1-CG2 3.46Å; V321-V323 HydrophobicContact CG1-CB 4.27Å; V321-V323 HydrophobicContact CG1-CG1 3.47Å; V321-V323 VanDerWaalsContact CG1-CG1 3.47Å; V321-V323 HydrophobicContact CG1-CG2 3.89Å; V321-T343 CarbonylContact C-O 3.54Å; V321-T343 VanDerWaalsContact CA-O 3.23Å; V321-T343 WeakPolarHBondContact CA-O 3.42Å
322I97.8Very high94.4Very high0 Ų050.7 Ų50.70%029%0.292CS..EExtended strand (participates in β ladder)trans-110.4101.7176.9-64.5-176.4000110.6L320 V342 T343 A344 T345 R348 F352 L358L320-I322 HydrophobicContact CD2-CD1 4.33Å; L320-I322 HydrophobicContact CD2-CG1 4.1Å; L320-I322 HydrophobicContact CG-CG1 4.15Å; I322-V342 HydrophobicContact CB-CG1 4.32Å; I322-V342 HydrophobicContact CD1-CG1 3.65Å; I322-V342 HydrophobicContact CD1-CG2 4.16Å; I322-V342 HydrophobicContact CG1-CG1 4.03Å; I322-T343 PolarHBondContact N-O 3.32Å; I322-A344 HydrophobicContact CB-CB 3.81Å; I322-A344 HydrophobicContact CG2-CB 4.31Å; I322-A344 VanDerWaalsContact O-CA 3.23Å; I322-A344 WeakPolarHBondContact O-CA 3.49Å; I322-A344 WeakPolarHBondContact O-CB 3.27Å; I322-T345 PolarHBondContact O-N 2.98Å; I322-R348 HydrophobicContact CG2-CB 4.18Å; I322-R348 HydrophobicContact CG2-CG 3.52Å; I322-F352 HydrophobicContact CD1-CD2 3.95Å; I322-F352 HydrophobicContact CD1-CE2 4.29Å; I322-F352 HydrophobicContact CG2-CD2 4Å; I322-F352 HydrophobicContact CG2-CE2 4.17Å; I322-L358 HydrophobicContact CD1-CD1 3.68Å
323V95.2Very high94.4Very high4 Ų453.4 Ų53.42%0.02432%0.315CS..  trans-142.5155.4-170.9-67.30000113.7R295 A298 V321 V326 Q331 T345 R348R295-V323 HydrophobicContact CB-CB 4.32Å; R295-V323 HydrophobicContact CB-CG1 4.16Å; R295-V323 HydrophobicContact CG-CB 4.04Å; R295-V323 HydrophobicContact CG-CG1 4.06Å; R295-V323 HydrophobicContact CG-CG2 4Å; A298-V323 HydrophobicContact CB-CG1 3.94Å; V321-V323 HydrophobicContact CG1-CB 4.27Å; V321-V323 HydrophobicContact CG1-CG1 3.47Å; V321-V323 VanDerWaalsContact CG1-CG1 3.47Å; V321-V323 HydrophobicContact CG1-CG2 3.89Å; V323-V326 HydrophobicContact CG2-CG2 4.16Å; V323-Q331 PolarHBondContact O-NE2 3.26Å; V323-Q331 VanDerWaalsContact O-NE2 3.14Å; V323-Q331 PolarHBondContact O-OE1 3.47Å; V323-T345 HydrophobicContact CG1-CG2 3.83Å; V323-R348 PolarHBondContact O-NH1 3.11Å
324G89.2Confident94.5Very high35 Ų3549.6 Ų49.636%0.36130%0.303SS..THydrogen-bonded Turntrans-64.9158.2170.200000113.3R295 V326R295-G324 PolarHBondContact NH1-O 3.38Å; R295-G324 VanDerWaalsContact NH1-O 3.08Å; G324-V326 PolarHBondContact O-N 3.32Å
325G85Confident94.7Very high60 Ų6043.5 Ų43.562%0.61927%0.27SS*.THydrogen-bonded Turntrans75.5-1179.400000115.2
326V89.3Confident94.8Very high49 Ų4947 Ų4730%0.29729%0.289SS..SBendtrans-105.2144.8163.3178.80000107.9V323 G324 A328 Q331 R348V323-V326 HydrophobicContact CG2-CG2 4.16Å; G324-V326 PolarHBondContact O-N 3.32Å; V326-A328 PolarHBondContact O-N 3.14Å; V326-Q331 HydrophobicContact CG1-CG 4.07Å; V326-Q331 PolarHBondContact O-NE2 2.88Å; V326-Q331 VanDerWaalsContact O-NE2 3.17Å; V326-R348 PolarHBondContact O-NH1 3.25Å
327A92.4Very high94.8Very high53 Ų5346.6 Ų46.644%0.43829%0.289SS..  trans-56.3130.1179.800000110.5K329 D330 Q331A327-K329 VanDerWaalsContact C-N 3.26Å; A327-K329 PolarHBondContact O-N 3.47Å; A327-D330 HydrophobicContact CB-CB 4.47Å; A327-D330 PolarHBondContact O-N 3.34Å; A327-Q331 PolarHBondContact O-N 3Å; A327-Q331 PolarHBondContact O-NE2 2.9Å
328A94.8Very high94.6Very high31 Ų3146.7 Ų46.726%0.25629%0.29SS..Hα-helixtrans-61.6-39.3-179.700000111.1V326 D330 Q331 V332 F352V326-A328 PolarHBondContact O-N 3.14Å; A328-D330 VanDerWaalsContact C-N 3.31Å; A328-D330 PolarHBondContact O-N 2.88Å; A328-Q331 PolarHBondContact O-N 2.88Å; A328-V332 WeakPolarHBondContact O-CB 3.14Å; A328-V332 VanDerWaalsContact O-CG2 3.32Å; A328-V332 WeakPolarHBondContact O-CG2 3.47Å; A328-V332 PolarHBondContact O-N 3.44Å; A328-F352 HydrophobicContact CB-CE1 4.05Å; A328-F352 HydrophobicContact CB-CZ 4.32Å
329K95.7Very high94.6Very high174 Ų17442 Ų4276%0.75727%0.274SS*.Hα-helixtrans-56.4-42178.8-170.9-179.9178.9-176.60112.9A327 V332 A333A327-K329 VanDerWaalsContact C-N 3.26Å; A327-K329 PolarHBondContact O-N 3.47Å; K329-V332 PolarHBondContact O-N 2.9Å; K329-A333 WeakPolarHBondContact O-CB 3.39Å; K329-A333 PolarHBondContact O-N 2.83Å
330D95.8Very high94.6Very high105 Ų10542 Ų4256%0.56127%0.272SS*.Hα-helixtrans-71.3-39.9-177.9-60.1-16.9000111.2A327 A328 A333 A334A327-D330 HydrophobicContact CB-CB 4.47Å; A327-D330 PolarHBondContact O-N 3.34Å; A328-D330 VanDerWaalsContact C-N 3.31Å; A328-D330 PolarHBondContact O-N 2.88Å; D330-A333 PolarHBondContact O-N 2.9Å; D330-A334 PolarHBondContact O-N 3.46Å
331Q97.2Very high94.7Very high7 Ų740.7 Ų40.73%0.03327%0.266CS..Hα-helixtrans-67.3-39.8175.2-73.1170.582.300111.9V323 V326 A327 A328 A334 L335 F352V323-Q331 PolarHBondContact O-NE2 3.26Å; V323-Q331 VanDerWaalsContact O-NE2 3.14Å; V323-Q331 PolarHBondContact O-OE1 3.47Å; V326-Q331 HydrophobicContact CG1-CG 4.07Å; V326-Q331 PolarHBondContact O-NE2 2.88Å; V326-Q331 VanDerWaalsContact O-NE2 3.17Å; A327-Q331 PolarHBondContact O-N 3Å; A327-Q331 PolarHBondContact O-NE2 2.9Å; A328-Q331 PolarHBondContact O-N 2.88Å; Q331-A334 PolarHBondContact O-N 3.49Å; Q331-L335 WeakPolarHBondContact O-CB 3.38Å; Q331-L335 PolarHBondContact O-N 3.26Å; Q331-F352 HydrophobicContact CB-CE2 3.8Å; Q331-F352 HydrophobicContact CB-CZ 3.81Å
332V96.4Very high94.7Very high24 Ų2439.5 Ų39.515%0.14526%0.259CS..Hα-helixtrans-63.5-41.9173.4168.10000111A328 K329 A334 L335 N336 F352 Q357A328-V332 WeakPolarHBondContact O-CB 3.14Å; A328-V332 VanDerWaalsContact O-CG2 3.32Å; A328-V332 WeakPolarHBondContact O-CG2 3.47Å; A328-V332 PolarHBondContact O-N 3.44Å; K329-V332 PolarHBondContact O-N 2.9Å; V332-A334 PolarHBondContact O-N 3.16Å; V332-L335 PolarHBondContact O-N 3.24Å; V332-N336 WeakPolarHBondContact CG1-ND2 3.39Å; V332-N336 WeakPolarHBondContact O-CB 3.24Å; V332-N336 VanDerWaalsContact O-CG 3.31Å; V332-N336 PolarHBondContact O-N 2.92Å; V332-N336 PolarHBondContact O-ND2 2.96Å; V332-F352 HydrophobicContact CG2-CE1 4.06Å; V332-F352 HydrophobicContact CG2-CE2 3.87Å; V332-F352 HydrophobicContact CG2-CZ 3.61Å; V332-Q357 HydrophobicContact CG2-CB 4.23Å; V332-Q357 HydrophobicContact CG2-CG 4.04Å
333A96.4Very high94.7Very high60 Ų6039.5 Ų39.550%0.49626%0.259SS..Hα-helixtrans-61.7-43.2175.800000111.8K329 D330 N336 S337K329-A333 WeakPolarHBondContact O-CB 3.39Å; K329-A333 PolarHBondContact O-N 2.83Å; D330-A333 PolarHBondContact O-N 2.9Å; A333-N336 PolarHBondContact O-N 3.28Å; A333-S337 PolarHBondContact O-N 3.22Å
334A95.4Very high94.9Very high34 Ų3439.3 Ų39.328%0.28126%0.258SS..Hα-helixtrans-63-44.3174.700000111.9L320 D330 Q331 V332 N336 S337L320-A334 HydrophobicContact CD1-CB 3.73Å; L320-A334 HydrophobicContact CD2-CB 3.91Å; L320-A334 HydrophobicContact CG-CB 4.48Å; D330-A334 PolarHBondContact O-N 3.46Å; Q331-A334 PolarHBondContact O-N 3.49Å; V332-A334 PolarHBondContact O-N 3.16Å; A334-N336 VanDerWaalsContact C-N 3.34Å; A334-N336 PolarHBondContact O-N 2.89Å; A334-S337 WeakPolarHBondContact O-CB 3.22Å; A334-S337 PolarHBondContact O-N 2.79Å; A334-S337 VanDerWaalsContact O-N 3.1Å; A334-S337 PolarHBondContact O-OG 3.06Å
335L95.5Very high95.2Very high0 Ų038.6 Ų38.60%025%0.246CC..Hα-helixtrans-59.5-43.9175.8-173.863.8000111.6P283 N284 L320 Q331 V332 S337 G338 V339 V342 F352 Q357 L358P283-L335 CarbonylContact C-O 3.44Å; N284-L335 HydrophobicContact CB-CD1 4.34Å; N284-L335 HydrophobicContact CB-CD2 4.01Å; N284-L335 HydrophobicContact CB-CG 3.76Å; L320-L335 HydrophobicContact CD2-CB 4.09Å; Q331-L335 WeakPolarHBondContact O-CB 3.38Å; Q331-L335 PolarHBondContact O-N 3.26Å; V332-L335 PolarHBondContact O-N 3.24Å; L335-S337 PolarHBondContact O-N 3.44Å; L335-G338 PolarHBondContact O-N 3.42Å; L335-V339 HydrophobicContact CD1-CB 4.23Å; L335-V339 HydrophobicContact CD1-CG2 4.4Å; L335-V342 HydrophobicContact CD1-CG2 4.48Å; L335-F352 HydrophobicContact CD2-CD2 4.45Å; L335-Q357 WeakPolarHBondContact CD2-O 3.43Å; L335-L358 HydrophobicContact CD1-CD1 4.36Å; L335-L358 HydrophobicContact CD2-CB 3.85Å; L335-L358 HydrophobicContact CD2-CD1 4.3Å; L335-L358 HydrophobicContact CD2-CG 4.35Å
336N94.3Very high95.7Very high85 Ų8535.8 Ų35.846%0.45522%0.217SC..Hα-helixtrans-68-14.5177.9-73.5-33.6000114.1P283 V332 A333 A334 G338P283-N336 VanDerWaalsContact CB-O 3.27Å; P283-N336 WeakPolarHBondContact CB-O 3.22Å; V332-N336 WeakPolarHBondContact CG1-ND2 3.39Å; V332-N336 WeakPolarHBondContact O-CB 3.24Å; V332-N336 VanDerWaalsContact O-CG 3.31Å; V332-N336 PolarHBondContact O-N 2.92Å; V332-N336 PolarHBondContact O-ND2 2.96Å; A333-N336 PolarHBondContact O-N 3.28Å; A334-N336 VanDerWaalsContact C-N 3.34Å; A334-N336 PolarHBondContact O-N 2.89Å; N336-G338 VanDerWaalsContact C-N 3.28Å
337S94.3Very high95.8Very high76 Ų7635.7 Ų35.753%0.53123%0.226SC..THydrogen-bonded Turntrans-78.8-12.617281.70000113.5R318 A333 A334 L335R318-S337 PolarHBondContact NH1-O 2.98Å; A333-S337 PolarHBondContact O-N 3.22Å; A334-S337 WeakPolarHBondContact O-CB 3.22Å; A334-S337 PolarHBondContact O-N 2.79Å; A334-S337 VanDerWaalsContact O-N 3.1Å; A334-S337 PolarHBondContact O-OG 3.06Å; L335-S337 PolarHBondContact O-N 3.44Å
338G93.5Very high95.9Very high3 Ų335 Ų353%0.03121%0.212CC..  trans103.8119.4-179.300000112.1P283 R318 L335 N336P283-G338 WeakPolarHBondContact O-CA 3.14Å; R318-G338 VanDerWaalsContact CD-O 3.27Å; R318-G338 WeakPolarHBondContact CD-O 3.21Å; R318-G338 PolarHBondContact NE-O 3.46Å; R318-G338 PolarHBondContact NH2-O 2.88Å; L335-G338 PolarHBondContact O-N 3.42Å; N336-G338 VanDerWaalsContact C-N 3.28Å
339V96.4Very high96.1Very high7 Ų733.5 Ų33.54%0.04220%0.2CC..  trans-137.4129.8179.6176.70000109.1P283 P286 L320 L335 I341 V342P283-V339 PolarHBondContact O-N 3.05Å; P283-V339 VanDerWaalsContact O-N 3.1Å; P286-V339 WeakPolarHBondContact CA-O 3.34Å; L320-V339 HydrophobicContact CB-CB 4.41Å; L320-V339 HydrophobicContact CB-CG1 3.71Å; L320-V339 HydrophobicContact CB-CG2 3.82Å; L320-V339 HydrophobicContact CD2-CG2 4.08Å; L335-V339 HydrophobicContact CD1-CB 4.23Å; L335-V339 HydrophobicContact CD1-CG2 4.4Å; V339-I341 WeakPolarHBondContact CG1-O 3.3Å; V339-V342 HydrophobicContact CG1-CG2 3.85Å
340E97.4Very high96.1Very high23 Ų2328.8 Ų28.811%0.10718%0.18CC..SBendtrans-96-28.8-179.9-68.581.8-150.500112.6V68 M72 M287 C288 V317 R318V68-E340 HydrophobicContact CG1-CB 3.95Å; M72-E340 HydrophobicContact CE-CG 3.76Å; M72-E340 HydrophobicContact CG-CG 4.35Å; M72-E340 HydrophobicContact SD-CB 4.43Å; M72-E340 HydrophobicContact SD-CG 3.75Å; M287-E340 HydrophobicContact CE-CB 3.78Å; M287-E340 HydrophobicContact CE-CG 3.52Å; M287-E340 PolarHBondContact N-O 2.62Å; C288-E340 PolarHBondContact N-O 2.91Å; C288-E340 VanDerWaalsContact N-O 3.11Å; V317-E340 HydrophobicContact CG1-CB 4.22Å; R318-E340 WeakPolarHBondContact CA-OE2 3.43Å; R318-E340 WeakPolarHBondContact CB-OE2 3.3Å; R318-E340 IonicContact CZ-OE1 2.99Å; R318-E340 PolarHBondContact N-OE2 3.14Å; R318-E340 IonicContact NE-OE1 2.73Å; R318-E340 IonicContact NE-OE2 3.64Å; R318-E340 IonicContact NH2-OE1 3.34Å; R318-E340 PolarHBondContact NH2-OE1 3.44Å; R318-E340 PolarHBondContact O-N 3.2Å
341I98.3Very high96Very high0 Ų027.6 Ų27.60%017%0.171CC..EExtended strand (participates in β ladder)trans-126.2125.7179-55.2-176000109.9L65 V68 C288 I290 M305 V317 R318 N319 L320 V339L65-I341 HydrophobicContact CD2-CD1 3.76Å; L65-I341 HydrophobicContact CG-CD1 4.43Å; V68-I341 HydrophobicContact CG1-CD1 4.48Å; V68-I341 HydrophobicContact CG1-CG1 4.31Å; V68-I341 HydrophobicContact CG2-CD1 4.45Å; V68-I341 HydrophobicContact CG2-CG1 4.42Å; C288-I341 HydrophobicContact CB-CB 4.3Å; C288-I341 HydrophobicContact CB-CG1 3.98Å; C288-I341 HydrophobicContact CB-CG2 4.06Å; I290-I341 HydrophobicContact CD1-CG2 3.99Å; M305-I341 HydrophobicContact CE-CD1 4.33Å; M305-I341 HydrophobicContact CE-CG2 4.15Å; M305-I341 HydrophobicContact SD-CD1 4.04Å; V317-I341 HydrophobicContact CG1-CD1 3.9Å; V317-I341 HydrophobicContact CG1-CG1 4.1Å; R318-I341 PolarHBondContact O-N 3.02Å; R318-I341 VanDerWaalsContact O-N 3.08Å; N319-I341 CarbonylContact C-O 3.52Å; N319-I341 WeakPolarHBondContact CA-O 3.31Å; N319-I341 HydrophobicContact CB-CB 4.09Å; N319-I341 HydrophobicContact CB-CG2 4.48Å; L320-I341 PolarHBondContact N-O 3.4Å; V339-I341 WeakPolarHBondContact CG1-O 3.3Å
342V98.5Very high96Very high0 Ų027.3 Ų27.30%017%0.17CC..EExtended strand (participates in β ladder)trans-112.2126.5174.41660000109.3P286 C288 L289 I290 L320 I322 L335 V339 A344 L358P286-V342 HydrophobicContact CB-CB 4.38Å; P286-V342 HydrophobicContact CB-CG2 3.85Å; P286-V342 HydrophobicContact CG-CB 4.4Å; P286-V342 HydrophobicContact CG-CG2 3.9Å; C288-V342 PolarHBondContact O-N 2.94Å; L289-V342 WeakPolarHBondContact CA-O 3.46Å; L289-V342 HydrophobicContact CD1-CB 4.04Å; L289-V342 HydrophobicContact CD1-CG1 3.72Å; I290-V342 PolarHBondContact N-O 3.46Å; L320-V342 WeakPolarHBondContact O-CA 3.48Å; I322-V342 HydrophobicContact CB-CG1 4.32Å; I322-V342 HydrophobicContact CD1-CG1 3.65Å; I322-V342 HydrophobicContact CD1-CG2 4.16Å; I322-V342 HydrophobicContact CG1-CG1 4.03Å; L335-V342 HydrophobicContact CD1-CG2 4.48Å; V339-V342 HydrophobicContact CG1-CG2 3.85Å; V342-A344 HydrophobicContact CG1-CB 3.99Å; V342-L358 HydrophobicContact CG1-CD1 4.18Å; V342-L358 HydrophobicContact CG2-CD1 4.05Å
343T98.6Very high95.9Very high0 Ų027.5 Ų27.50%017%0.17CC..EExtended strand (participates in β ladder)trans-107124.9167-53.90000108I290 E292 A298 T301 L320 V321 I322I290-T343 HydrophobicContact CB-CG2 4.18Å; I290-T343 HydrophobicContact CG2-CG2 4.14Å; I290-T343 CarbonylContact O-C 3.43Å; I290-T343 WeakPolarHBondContact O-CA 3.4Å; E292-T343 HydrophobicContact CG-CG2 3.79Å; A298-T343 HydrophobicContact CB-CG2 3.88Å; T301-T343 HydrophobicContact CG2-CG2 4.09Å; L320-T343 PolarHBondContact O-N 3.16Å; V321-T343 CarbonylContact C-O 3.54Å; V321-T343 VanDerWaalsContact CA-O 3.23Å; V321-T343 WeakPolarHBondContact CA-O 3.42Å; I322-T343 PolarHBondContact N-O 3.32Å
344A97.9Very high95.7Very high0 Ų029 Ų290%018%0.177CC..EExtended strand (participates in β ladder)trans-144.7154.6-169.300000114.7I290 I291 E292 I322 V342 L349I290-A344 PolarHBondContact O-N 3.23Å; I291-A344 WeakPolarHBondContact CA-O 3.17Å; E292-A344 PolarHBondContact N-O 2.86Å; I322-A344 HydrophobicContact CB-CB 3.81Å; I322-A344 HydrophobicContact CG2-CB 4.31Å; I322-A344 VanDerWaalsContact O-CA 3.23Å; I322-A344 WeakPolarHBondContact O-CA 3.49Å; I322-A344 WeakPolarHBondContact O-CB 3.27Å; V342-A344 HydrophobicContact CG1-CB 3.99Å; A344-L349 HydrophobicContact CB-CB 3.91Å; A344-L349 HydrophobicContact CB-CD1 4.24Å; A344-L349 HydrophobicContact CB-CD2 4.03Å; A344-L349 HydrophobicContact CB-CG 4.28Å
345T95.8Very high95.6Very high19 Ų1931.1 Ų31.112%0.11719%0.187CC..  trans-92.4142.9165.353.10000110.2S294 I322 V323 G347 R348 L349S294-T345 VanDerWaalsContact C-CG2 3.43Å; S294-T345 WeakPolarHBondContact O-CG2 3.31Å; I322-T345 PolarHBondContact O-N 2.98Å; V323-T345 HydrophobicContact CG1-CG2 3.83Å; T345-G347 PolarHBondContact O-N 2.76Å; T345-R348 PolarHBondContact O-N 2.79Å; T345-L349 WeakPolarHBondContact O-CB 3.41Å; T345-L349 PolarHBondContact O-N 3.18Å
346P95.2Very high95.4Very high2 Ų233.7 Ų33.71%0.01321%0.213CC..Hα-helixtrans-49-48.5-173.5-3437.3000115.3I291 E292 R348 L349 E350 L374 Y379 F382I291-P346 HydrophobicContact CG2-CG 3.95Å; E292-P346 WeakPolarHBondContact O-CD 3.42Å; P346-R348 PolarHBondContact O-N 3.14Å; P346-L349 PolarHBondContact O-N 3.08Å; P346-E350 WeakPolarHBondContact O-CB 3.25Å; P346-E350 PolarHBondContact O-N 3.34Å; P346-L374 HydrophobicContact CG-CD2 3.86Å; P346-Y379 HydrophobicContact CB-CD1 3.57Å; P346-Y379 HydrophobicContact CB-CD2 4.34Å; P346-Y379 HydrophobicContact CB-CE1 3.57Å; P346-Y379 HydrophobicContact CB-CE2 4.32Å; P346-Y379 HydrophobicContact CB-CG 3.98Å; P346-Y379 HydrophobicContact CG-CD1 3.94Å; P346-Y379 HydrophobicContact CG-CD2 3.82Å; P346-Y379 HydrophobicContact CG-CE1 4.11Å; P346-Y379 HydrophobicContact CG-CE2 3.97Å; P346-Y379 HydrophobicContact CG-CG 3.8Å; P346-F382 HydrophobicContact CB-CD1 3.7Å; P346-F382 HydrophobicContact CB-CE1 3.61Å; P346-F382 HydrophobicContact CB-CG 4.2Å; P346-F382 HydrophobicContact CB-CZ 4.05Å; P346-F382 HydrophobicContact CG-CD1 4.08Å; P346-F382 HydrophobicContact CG-CE1 3.94Å
347G92.5Very high95.4Very high47 Ų4732.8 Ų32.849%0.48521%0.206SC..Hα-helixtrans-60.8-45.7-172.700000114.6T345 E351T345-G347 PolarHBondContact O-N 2.76Å; G347-E351 PolarHBondContact O-N 2.82Å
348R94.7Very high95.5Very high37 Ų3729.4 Ų29.414%0.1418%0.182CC..Hα-helixtrans-76.8-32.1178.5179.454.659.980.80.1111.8I322 V323 V326 T345 P346 E351 F352I322-R348 HydrophobicContact CG2-CB 4.18Å; I322-R348 HydrophobicContact CG2-CG 3.52Å; V323-R348 PolarHBondContact O-NH1 3.11Å; V326-R348 PolarHBondContact O-NH1 3.25Å; T345-R348 PolarHBondContact O-N 2.79Å; P346-R348 PolarHBondContact O-N 3.14Å; R348-E351 WeakPolarHBondContact CD-OE2 3.47Å; R348-E351 IonicContact CZ-OE2 2.9Å; R348-E351 IonicContact NE-OE2 3.11Å; R348-E351 PolarHBondContact NE-OE2 3.05Å; R348-E351 WeakPolarHBondContact O-CB 3.37Å; R348-F352 HydrophobicContact CG-CE1 4.33Å; R348-F352 HydrophobicContact CG-CZ 4.5Å; R348-F352 PolarHBondContact O-N 2.69Å
349L97.9Very high95.6Very high0 Ų031 Ų310%019%0.192CC..Hα-helixtrans-65.3-44.8176.1-179.660.8000111.8L289 I291 A344 T345 P346 E351 F352 I353 L358 F382 L386L289-L349 HydrophobicContact CD1-CD1 4.06Å; L289-L349 HydrophobicContact CD1-CD2 3.86Å; L289-L349 HydrophobicContact CD2-CD2 4.13Å; L289-L349 HydrophobicContact CG-CD2 4.35Å; I291-L349 HydrophobicContact CD1-CD2 3.22Å; A344-L349 HydrophobicContact CB-CB 3.91Å; A344-L349 HydrophobicContact CB-CD1 4.24Å; A344-L349 HydrophobicContact CB-CD2 4.03Å; A344-L349 HydrophobicContact CB-CG 4.28Å; T345-L349 WeakPolarHBondContact O-CB 3.41Å; T345-L349 PolarHBondContact O-N 3.18Å; P346-L349 PolarHBondContact O-N 3.08Å; L349-E351 VanDerWaalsContact C-N 3.31Å; L349-E351 PolarHBondContact O-N 2.79Å; L349-F352 PolarHBondContact O-N 3.07Å; L349-F352 VanDerWaalsContact O-N 3.13Å; L349-I353 HydrophobicContact CD1-CD1 3.87Å; L349-I353 HydrophobicContact CD1-CG1 4.21Å; L349-I353 HydrophobicContact CD2-CD1 4.41Å; L349-I353 HydrophobicContact CG-CD1 3.74Å; L349-I353 HydrophobicContact CG-CG1 4.47Å; L349-I353 WeakPolarHBondContact O-CG1 3.5Å; L349-I353 PolarHBondContact O-N 3.33Å; L349-L358 HydrophobicContact CD1-CD1 4.01Å; L349-L358 HydrophobicContact CD1-CD2 4.28Å; L349-F382 HydrophobicContact CB-CZ 4.46Å; L349-F382 HydrophobicContact CD2-CZ 3.94Å; L349-F382 HydrophobicContact CG-CZ 4.34Å; L349-L386 HydrophobicContact CD2-CD2 4.22Å
350E95.6Very high95.5Very high75 Ų7531.1 Ų31.135%0.3519%0.193SC..Hα-helixtrans-60-42.5178.4-169.6166.3-159.200111.6P346 F352 I353 S354 F382 K385P346-E350 WeakPolarHBondContact O-CB 3.25Å; P346-E350 PolarHBondContact O-N 3.34Å; E350-F352 PolarHBondContact O-N 3.39Å; E350-I353 PolarHBondContact O-N 2.9Å; E350-S354 VanDerWaalsContact O-CB 3.25Å; E350-S354 WeakPolarHBondContact O-CB 3.28Å; E350-S354 PolarHBondContact O-N 3.03Å; E350-S354 PolarHBondContact O-OG 3.26Å; E350-S354 VanDerWaalsContact O-OG 3.11Å; E350-F382 HydrophobicContact CB-CD2 4.16Å; E350-F382 HydrophobicContact CB-CE2 3.73Å; E350-F382 HydrophobicContact CG-CD2 4.36Å; E350-F382 HydrophobicContact CG-CE2 4.24Å; E350-K385 IonicContact OE1-NZ 3.01Å; E350-K385 PolarHBondContact OE1-NZ 2.61Å
351E94.3Very high95.1Very high80 Ų8032 Ų3237%0.37420%0.201SC..Hα-helixtrans-54.1-50.5172.7-176.3-167.915500110.9G347 R348 L349 I353 S354 T355G347-E351 PolarHBondContact O-N 2.82Å; R348-E351 WeakPolarHBondContact CD-OE2 3.47Å; R348-E351 IonicContact CZ-OE2 2.9Å; R348-E351 IonicContact NE-OE2 3.11Å; R348-E351 PolarHBondContact NE-OE2 3.05Å; R348-E351 WeakPolarHBondContact O-CB 3.37Å; L349-E351 VanDerWaalsContact C-N 3.31Å; L349-E351 PolarHBondContact O-N 2.79Å; E351-I353 PolarHBondContact O-N 3.31Å; E351-S354 PolarHBondContact O-N 3.22Å; E351-S354 PolarHBondContact O-OG 2.81Å; E351-T355 WeakPolarHBondContact O-CB 3.3Å; E351-T355 WeakPolarHBondContact O-CG2 3.4Å; E351-T355 PolarHBondContact O-N 2.77Å; E351-T355 PolarHBondContact O-OG1 2.96Å
352F97.1Very high94.9Very high2 Ų232.8 Ų32.81%0.00921%0.205CC..Hα-helixtrans-69.4-33.4-176.1-80.721.8000113.5I322 A328 Q331 V332 L335 R348 L349 E350 T355 G356 Q357 L358I322-F352 HydrophobicContact CD1-CD2 3.95Å; I322-F352 HydrophobicContact CD1-CE2 4.29Å; I322-F352 HydrophobicContact CG2-CD2 4Å; I322-F352 HydrophobicContact CG2-CE2 4.17Å; A328-F352 HydrophobicContact CB-CE1 4.05Å; A328-F352 HydrophobicContact CB-CZ 4.32Å; Q331-F352 HydrophobicContact CB-CE2 3.8Å; Q331-F352 HydrophobicContact CB-CZ 3.81Å; V332-F352 HydrophobicContact CG2-CE1 4.06Å; V332-F352 HydrophobicContact CG2-CE2 3.87Å; V332-F352 HydrophobicContact CG2-CZ 3.61Å; L335-F352 HydrophobicContact CD2-CD2 4.45Å; R348-F352 HydrophobicContact CG-CE1 4.33Å; R348-F352 HydrophobicContact CG-CZ 4.5Å; R348-F352 PolarHBondContact O-N 2.69Å; L349-F352 PolarHBondContact O-N 3.07Å; L349-F352 VanDerWaalsContact O-N 3.13Å; E350-F352 PolarHBondContact O-N 3.39Å; F352-T355 PolarHBondContact O-OG1 3.48Å; F352-G356 PolarHBondContact O-N 3.09Å; F352-Q357 HydrophobicContact CB-CB 4.26Å; F352-Q357 HydrophobicContact CG-CB 4.3Å; F352-Q357 PolarHBondContact O-N 2.94Å; F352-L358 HydrophobicContact CB-CB 4.08Å; F352-L358 PolarHBondContact O-N 2.86Å
353I95.1Very high94.8Very high27 Ų2732.8 Ų32.814%0.13821%0.205CC..Hα-helixtrans-70.4-47.9174.2-66.2164.4000110L349 E350 E351 T355 G356 L358 L360 L386L349-I353 HydrophobicContact CD1-CD1 3.87Å; L349-I353 HydrophobicContact CD1-CG1 4.21Å; L349-I353 HydrophobicContact CD2-CD1 4.41Å; L349-I353 HydrophobicContact CG-CD1 3.74Å; L349-I353 HydrophobicContact CG-CG1 4.47Å; L349-I353 WeakPolarHBondContact O-CG1 3.5Å; L349-I353 PolarHBondContact O-N 3.33Å; E350-I353 PolarHBondContact O-N 2.9Å; E351-I353 PolarHBondContact O-N 3.31Å; I353-T355 VanDerWaalsContact C-N 3.27Å; I353-T355 PolarHBondContact O-N 3.06Å; I353-G356 PolarHBondContact O-N 3.01Å; I353-L358 HydrophobicContact CG1-CD2 3.91Å; I353-L360 HydrophobicContact CD1-CD1 4.13Å; I353-L360 HydrophobicContact CD1-CD2 4.07Å; I353-L360 HydrophobicContact CD1-CG 4.37Å; I353-L360 HydrophobicContact CG1-CD2 4.43Å; I353-L360 HydrophobicContact CG2-CD1 4.43Å; I353-L386 HydrophobicContact CD1-CD1 3.4Å; I353-L386 VanDerWaalsContact CD1-CD1 3.4Å
354S92Very high94.5Very high91 Ų9134.7 Ų34.764%0.63621%0.212SC*.Hα-helixtrans-62.7-32.7-178.170.90000113.6E350 E351 G356E350-S354 VanDerWaalsContact O-CB 3.25Å; E350-S354 WeakPolarHBondContact O-CB 3.28Å; E350-S354 PolarHBondContact O-N 3.03Å; E350-S354 PolarHBondContact O-OG 3.26Å; E350-S354 VanDerWaalsContact O-OG 3.11Å; E351-S354 PolarHBondContact O-N 3.22Å; E351-S354 PolarHBondContact O-OG 2.81Å; S354-G356 VanDerWaalsContact C-N 3.31Å
355T92.3Very high94.5Very high80 Ų8034.7 Ų34.749%0.49121%0.212SC..THydrogen-bonded Turntrans-88.51.7178.354.40000113E351 F352 I353 Q357E351-T355 WeakPolarHBondContact O-CB 3.3Å; E351-T355 WeakPolarHBondContact O-CG2 3.4Å; E351-T355 PolarHBondContact O-N 2.77Å; E351-T355 PolarHBondContact O-OG1 2.96Å; F352-T355 PolarHBondContact O-OG1 3.48Å; I353-T355 VanDerWaalsContact C-N 3.27Å; I353-T355 PolarHBondContact O-N 3.06Å; T355-Q357 PolarHBondContact O-N 3.4Å; T355-Q357 WeakPolarHBondContact OG1-CG 3.48Å
356G91.4Very high94.5Very high53 Ų5333.8 Ų33.855%0.54621%0.207SC..THydrogen-bonded Turntrans69.511.8-179.200000114.6F352 I353 S354F352-G356 PolarHBondContact O-N 3.09Å; I353-G356 PolarHBondContact O-N 3.01Å; S354-G356 VanDerWaalsContact C-N 3.31Å
357Q93.9Very high94.6Very high67 Ų6733.7 Ų33.731%0.31321%0.206SC..SBendtrans-70.3-35.5177.4-63.2-63.5-27.900111.4N284 V332 L335 F352 T355N284-Q357 VanDerWaalsContact CB-O 3.28Å; N284-Q357 WeakPolarHBondContact CB-O 3.12Å; N284-Q357 PolarHBondContact ND2-O 3.2Å; V332-Q357 HydrophobicContact CG2-CB 4.23Å; V332-Q357 HydrophobicContact CG2-CG 4.04Å; L335-Q357 WeakPolarHBondContact CD2-O 3.43Å; F352-Q357 HydrophobicContact CB-CB 4.26Å; F352-Q357 HydrophobicContact CG-CB 4.3Å; F352-Q357 PolarHBondContact O-N 2.94Å; T355-Q357 PolarHBondContact O-N 3.4Å; T355-Q357 WeakPolarHBondContact OG1-CG 3.48Å
358L97.3Very high94.8Very high4 Ų431.5 Ų31.52%0.02118%0.183CC..SBendtrans-118.6132.4175.1-174.2149.7000110.3P286 I322 L335 V342 L349 F352 I353 L360P286-L358 HydrophobicContact CG-CD1 4.3Å; P286-L358 HydrophobicContact CG-CD2 4.39Å; P286-L358 HydrophobicContact CG-CG 4.34Å; I322-L358 HydrophobicContact CD1-CD1 3.68Å; L335-L358 HydrophobicContact CD1-CD1 4.36Å; L335-L358 HydrophobicContact CD2-CB 3.85Å; L335-L358 HydrophobicContact CD2-CD1 4.3Å; L335-L358 HydrophobicContact CD2-CG 4.35Å; V342-L358 HydrophobicContact CG1-CD1 4.18Å; V342-L358 HydrophobicContact CG2-CD1 4.05Å; L349-L358 HydrophobicContact CD1-CD1 4.01Å; L349-L358 HydrophobicContact CD1-CD2 4.28Å; F352-L358 HydrophobicContact CB-CB 4.08Å; F352-L358 PolarHBondContact O-N 2.86Å; I353-L358 HydrophobicContact CG1-CD2 3.91Å; L358-L360 HydrophobicContact CD2-CD2 3.69Å; L358-L360 HydrophobicContact CD2-CG 4.45Å
359S94.7Very high94.7Very high36 Ų3629.9 Ų29.925%0.25218%0.177SC..  trans-110.2139.1177.2170.10000111.3N284 P286 S361N284-S359 PolarHBondContact O-N 3.37Å; P286-S359 WeakPolarHBondContact CD-O 3.26Å; S359-S361 WeakPolarHBondContact OG-CB 3.36Å; S359-S361 PolarHBondContact OG-N 2.87Å; S359-S361 PolarHBondContact OG-OG 2.82Å
360L94.6Very high94.2Very high10 Ų1030.7 Ų30.75%0.05218%0.181CC..  trans-91.40.6179.6-56.2173000113.2L289 I353 L358 H362 V363 L386 Q389 I390 P391L289-L360 HydrophobicContact CD2-CD2 3.76Å; I353-L360 HydrophobicContact CD1-CD1 4.13Å; I353-L360 HydrophobicContact CD1-CD2 4.07Å; I353-L360 HydrophobicContact CD1-CG 4.37Å; I353-L360 HydrophobicContact CG1-CD2 4.43Å; I353-L360 HydrophobicContact CG2-CD1 4.43Å; L358-L360 HydrophobicContact CD2-CD2 3.69Å; L358-L360 HydrophobicContact CD2-CG 4.45Å; L360-H362 PolarHBondContact O-N 2.81Å; L360-V363 HydrophobicContact CB-CG2 4.32Å; L360-V363 HydrophobicContact CD2-CG2 4.07Å; L360-V363 PolarHBondContact O-N 2.85Å; L360-L386 HydrophobicContact CD1-CD1 3.51Å; L360-L386 HydrophobicContact CD2-CD1 4.04Å; L360-L386 HydrophobicContact CG-CD1 4.43Å; L360-Q389 HydrophobicContact CD1-CB 3.67Å; L360-I390 HydrophobicContact CB-CG1 4.11Å; L360-I390 HydrophobicContact CD1-CG1 3.99Å; L360-I390 HydrophobicContact CD2-CG1 4.42Å; L360-I390 HydrophobicContact CG-CG1 4.4Å; L360-P391 WeakPolarHBondContact O-CD 3.49Å
361S90.3Very high93.8Very high42 Ų4227.1 Ų27.129%0.29416%0.164SC..THydrogen-bonded Turntrans-60.4-18.1-169.261.30000115.7E285 S359E285-S361 WeakPolarHBondContact CG-OG 3.22Å; E285-S361 PolarHBondContact OE1-OG 3.43Å; E285-S361 VanDerWaalsContact OE1-OG 3.05Å; S359-S361 WeakPolarHBondContact OG-CB 3.36Å; S359-S361 PolarHBondContact OG-N 2.87Å; S359-S361 PolarHBondContact OG-OG 2.82Å
362H93.3Very high93.3Very high16 Ų1623.4 Ų23.47%0.07415%0.147CC..THydrogen-bonded Turntrans-119.76.3179.4-71.669.4000113.2R278 P281 E285 P286 M287 L360 R364R278-H362 PolarHBondContact O-NE2 3.04Å; P281-H362 HydrophobicContact CB-CB 4.23Å; P281-H362 HydrophobicContact CG-CB 4.23Å; E285-H362 HydrophobicContact CB-CB 4.29Å; E285-H362 IonicContact OE2-CE1 3.09Å; E285-H362 PolarHBondContact OE2-CE1 3.3Å; E285-H362 IonicContact OE2-ND1 3.73Å; E285-H362 PolarHBondContact OE2-ND1 3.11Å; P286-H362 CarbonylContact O-C 3.36Å; M287-H362 WeakPolarHBondContact CA-O 3.09Å; L360-H362 PolarHBondContact O-N 2.81Å; H362-R364 PolarHBondContact O-N 3.29Å
363V95.7Very high92.6Very high0 Ų023.3 Ų23.30%015%0.147CC..  trans-66.7110.9179.7173.60000108.9P286 L289 L360 F365 I390 T394 L400P286-V363 HydrophobicContact CG-CG2 4.43Å; P286-V363 WeakPolarHBondContact O-CG2 3.5Å; P286-V363 PolarHBondContact O-N 3.14Å; L289-V363 HydrophobicContact CB-CG1 4.01Å; L289-V363 HydrophobicContact CB-CG2 4.36Å; L360-V363 HydrophobicContact CB-CG2 4.32Å; L360-V363 HydrophobicContact CD2-CG2 4.07Å; L360-V363 PolarHBondContact O-N 2.85Å; V363-F365 VanDerWaalsContact CG1-O 3.31Å; V363-F365 WeakPolarHBondContact CG1-O 3.26Å; V363-I390 HydrophobicContact CB-CG1 4.5Å; V363-I390 HydrophobicContact CB-CG2 4.05Å; V363-I390 HydrophobicContact CG1-CD1 4.12Å; V363-I390 HydrophobicContact CG1-CG1 4.35Å; V363-I390 HydrophobicContact CG1-CG2 4Å; V363-T394 WeakPolarHBondContact O-CG2 3.34Å; V363-L400 HydrophobicContact CG1-CD1 4.46Å
364R93.2Very high92.2Very high40 Ų4022.1 Ų22.115%0.15114%0.141CC..  trans-96.9-29.9175.4178.8176.9168.9-170.3-5.4111.8I67 T71 M287 H362 T394 L400 Q401I67-R364 VanDerWaalsContact CG2-NH2 3.31Å; T71-R364 PolarHBondContact OG1-NH1 2.89Å; M287-R364 PolarHBondContact O-N 3.46Å; H362-R364 PolarHBondContact O-N 3.29Å; R364-T394 HydrophobicContact CB-CG2 4.05Å; R364-L400 CarbonylContact O-C 3.58Å; R364-L400 WeakPolarHBondContact O-CA 3.45Å; R364-Q401 PolarHBondContact O-N 3.45Å
365F97.5Very high91.9Very high1 Ų118.6 Ų18.60%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-116123.8177.9-65.1-82.7000110.2V64 I67 V68 M287 C288 L289 V363 I367 Q401 I403V64-F365 HydrophobicContact CG1-CB 4.48Å; V64-F365 HydrophobicContact CG1-CD2 4.16Å; V64-F365 HydrophobicContact CG1-CG 4.16Å; V64-F365 HydrophobicContact CG2-CD1 3.88Å; V64-F365 HydrophobicContact CG2-CE1 4.07Å; V64-F365 HydrophobicContact CG2-CG 4.26Å; I67-F365 HydrophobicContact CB-CE2 4.08Å; I67-F365 HydrophobicContact CB-CZ 3.76Å; I67-F365 HydrophobicContact CD1-CE1 4.15Å; I67-F365 HydrophobicContact CD1-CZ 3.64Å; I67-F365 HydrophobicContact CG1-CZ 4.31Å; I67-F365 HydrophobicContact CG2-CE2 3.75Å; I67-F365 HydrophobicContact CG2-CZ 3.56Å; V68-F365 HydrophobicContact CG2-CD2 4.26Å; V68-F365 HydrophobicContact CG2-CE2 4.25Å; M287-F365 PolarHBondContact O-N 3.02Å; M287-F365 VanDerWaalsContact O-N 3.09Å; C288-F365 WeakPolarHBondContact CA-O 3.23Å; C288-F365 HydrophobicContact CB-CB 3.97Å; C288-F365 HydrophobicContact CB-CD2 4.45Å; L289-F365 PolarHBondContact N-O 2.84Å; V363-F365 VanDerWaalsContact CG1-O 3.31Å; V363-F365 WeakPolarHBondContact CG1-O 3.26Å; F365-I367 HydrophobicContact CB-CG1 4.47Å; F365-Q401 WeakPolarHBondContact CA-O 3.45Å; F365-Q401 HydrophobicContact CD1-CB 4.05Å; F365-Q401 HydrophobicContact CD1-CG 4.46Å; F365-Q401 HydrophobicContact CE1-CB 4.17Å; F365-Q401 HydrophobicContact CE1-CG 4.4Å; F365-I403 HydrophobicContact CD1-CD1 4.14Å
366F97Very high91.4Very high0 Ų016.4 Ų16.40%010%0.099CC..EExtended strand (participates in β ladder)trans-120.4109.4172.9180-143.6000109.7L289 I291 L368 V383 L386 H387 I390 L400 Q401 M402 I403L289-F366 HydrophobicContact CD2-CD2 4.38Å; L289-F366 HydrophobicContact CD2-CE2 4.49Å; L289-F366 HydrophobicContact CG-CD2 4.49Å; I291-F366 HydrophobicContact CD1-CE2 4.32Å; I291-F366 HydrophobicContact CG1-CD2 4.42Å; I291-F366 HydrophobicContact CG1-CE2 3.61Å; I291-F366 HydrophobicContact CG1-CZ 4.47Å; F366-L368 HydrophobicContact CE1-CD2 4.38Å; F366-L368 HydrophobicContact CE2-CD2 3.75Å; F366-L368 HydrophobicContact CZ-CD2 3.63Å; F366-L368 HydrophobicContact CZ-CG 4.46Å; F366-V383 HydrophobicContact CE1-CG1 4.35Å; F366-V383 HydrophobicContact CZ-CG1 4.2Å; F366-L386 HydrophobicContact CD2-CD2 4.37Å; F366-L386 HydrophobicContact CE2-CD2 3.37Å; F366-L386 HydrophobicContact CE2-CG 4.13Å; F366-L386 HydrophobicContact CZ-CB 4.35Å; F366-L386 HydrophobicContact CZ-CD2 3.57Å; F366-L386 HydrophobicContact CZ-CG 4.05Å; F366-H387 HydrophobicContact CE1-CB 4.06Å; F366-I390 HydrophobicContact CB-CD1 3.96Å; F366-I390 HydrophobicContact CD1-CD1 3.81Å; F366-I390 HydrophobicContact CD2-CD1 3.89Å; F366-I390 HydrophobicContact CE1-CD1 4.27Å; F366-I390 HydrophobicContact CE2-CD1 4.32Å; F366-I390 HydrophobicContact CG-CD1 3.62Å; F366-L400 HydrophobicContact CB-CD1 3.9Å; F366-Q401 PolarHBondContact N-O 3.15Å; F366-M402 HydrophobicContact CB-CG 4.3Å; F366-M402 HydrophobicContact CD1-CE 3.35Å; F366-M402 HydrophobicContact CD1-CG 4.27Å; F366-M402 HydrophobicContact CD1-SD 3.94Å; F366-M402 HydrophobicContact CE1-CE 3.63Å; F366-M402 HydrophobicContact CG-CE 4.31Å; F366-M402 VanDerWaalsContact O-CA 3.31Å; F366-M402 WeakPolarHBondContact O-CA 3.24Å; F366-I403 PolarHBondContact O-N 3.47Å; F366-I403 VanDerWaalsContact O-N 3.1Å
367I97.3Very high91Very high0 Ų016.7 Ų16.70%09%0.086CC..EExtended strand (participates in β ladder)trans-114.8128.3-169.6-50.2-173.2000109.1F60 V64 L289 I290 I291 F365 I403F60-I367 HydrophobicContact CD2-CD1 3.72Å; F60-I367 HydrophobicContact CD2-CG2 4.05Å; F60-I367 HydrophobicContact CE2-CD1 4.34Å; F60-I367 HydrophobicContact CE2-CG2 4.16Å; F60-I367 HydrophobicContact CG-CD1 4.42Å; F60-I367 HydrophobicContact CG-CG2 4.27Å; F60-I367 HydrophobicContact CZ-CG2 4.46Å; V64-I367 HydrophobicContact CG1-CD1 4.49Å; V64-I367 HydrophobicContact CG2-CD1 3.82Å; L289-I367 PolarHBondContact O-N 2.89Å; I290-I367 CarbonylContact C-O 3.25Å; I290-I367 WeakPolarHBondContact CA-O 3.45Å; I290-I367 HydrophobicContact CB-CB 4.37Å; I290-I367 HydrophobicContact CG1-CB 4.01Å; I290-I367 HydrophobicContact CG1-CD1 4.02Å; I290-I367 HydrophobicContact CG1-CG1 4.3Å; I290-I367 HydrophobicContact CG2-CB 4.34Å; I290-I367 HydrophobicContact CG2-CG2 4.32Å; I291-I367 PolarHBondContact N-O 3.45Å; F365-I367 HydrophobicContact CB-CG1 4.47Å; I367-I403 CarbonylContact C-O 3.58Å; I367-I403 VanDerWaalsContact CA-O 3.24Å; I367-I403 WeakPolarHBondContact CA-O 3.16Å; I367-I403 HydrophobicContact CD1-CD1 3.8Å; I367-I403 HydrophobicContact CG1-CB 4.15Å; I367-I403 HydrophobicContact CG1-CD1 3.94Å; I367-I403 HydrophobicContact CG2-CB 4.17Å; I367-I403 HydrophobicContact CG2-CG2 4.29Å
368L95.1Very high90.5Very high0 Ų016.2 Ų16.20%010%0.099CC..EExtended strand (participates in β ladder)trans-109.4102.5171.2-55.1-179.4000107.6I291 F366 A371 L374 V383 I403 V404 C405 M417 L439I291-L368 HydrophobicContact CB-CD2 3.83Å; I291-L368 HydrophobicContact CG1-CD2 3.83Å; F366-L368 HydrophobicContact CE1-CD2 4.38Å; F366-L368 HydrophobicContact CE2-CD2 3.75Å; F366-L368 HydrophobicContact CZ-CD2 3.63Å; F366-L368 HydrophobicContact CZ-CG 4.46Å; L368-A371 HydrophobicContact CB-CB 4.2Å; L368-L374 HydrophobicContact CB-CD1 4.19Å; L368-L374 HydrophobicContact CD2-CD1 4.2Å; L368-V383 HydrophobicContact CD1-CG1 3.63Å; L368-V383 HydrophobicContact CD1-CG2 4.4Å; L368-V383 HydrophobicContact CD2-CG1 4.21Å; L368-V383 HydrophobicContact CD2-CG2 4.12Å; L368-I403 PolarHBondContact N-O 2.83Å; L368-V404 HydrophobicContact CB-CG1 4.47Å; L368-V404 HydrophobicContact CB-CG2 4.24Å; L368-V404 HydrophobicContact CD1-CG2 4.12Å; L368-V404 HydrophobicContact CG-CG2 4.35Å; L368-V404 WeakPolarHBondContact O-CA 3.47Å; L368-C405 PolarHBondContact O-N 2.9Å; L368-M417 HydrophobicContact CD1-CE 3.72Å; L368-M417 HydrophobicContact CD1-SD 3.84Å; L368-L439 HydrophobicContact CD1-CD1 4.48Å
369D92.6Very high90.1Very high3 Ų319.4 Ų19.42%0.01611%0.111CC..SBendtrans-89.7146.8172.2-159.32.8000109.8F60 I291 E292 P293 A371 C405F60-D369 HydrophobicContact CE1-CB 4.41Å; F60-D369 WeakPolarHBondContact CE1-OD2 3.23Å; F60-D369 HydrophobicContact CZ-CB 4.41Å; I291-D369 PolarHBondContact O-N 2.83Å; E292-D369 WeakPolarHBondContact OE1-CB 3.38Å; P293-D369 WeakPolarHBondContact CD-O 3.2Å; D369-A371 VanDerWaalsContact C-N 3.28Å; D369-A371 PolarHBondContact O-N 3.28Å; D369-C405 WeakPolarHBondContact OD1-CB 3.45Å
370E88.1Confident89.5Confident17 Ų1722.5 Ų22.58%0.07912%0.122CC..SBendtrans47.750.6-173.5-62.4-72.7172.900111.9P293 L297 D372 G373 L374 C405P293-E370 HydrophobicContact CG-CB 3.57Å; P293-E370 HydrophobicContact CG-CG 4.5Å; L297-E370 HydrophobicContact CD1-CB 4.26Å; L297-E370 HydrophobicContact CD1-CG 3.84Å; L297-E370 HydrophobicContact CD2-CG 4.32Å; E370-D372 VanDerWaalsContact C-N 3.32Å; E370-D372 PolarHBondContact O-N 3.4Å; E370-G373 CarbonylContact O-C 3.56Å; E370-G373 WeakPolarHBondContact O-CA 3.13Å; E370-G373 PolarHBondContact O-N 3.31Å; E370-L374 PolarHBondContact O-N 2.97Å; E370-L374 VanDerWaalsContact O-N 3.08Å; E370-C405 PolarHBondContact N-O 2.96Å
371A88.2Confident89.1Confident0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-60.9-35.3-169.600000114.3L368 D369 G373 L374 L375 V404 C405 M417L368-A371 HydrophobicContact CB-CB 4.2Å; D369-A371 VanDerWaalsContact C-N 3.28Å; D369-A371 PolarHBondContact O-N 3.28Å; A371-G373 VanDerWaalsContact C-N 3.27Å; A371-G373 PolarHBondContact O-N 2.7Å; A371-L374 WeakPolarHBondContact O-CB 3.09Å; A371-L374 PolarHBondContact O-N 3.01Å; A371-L374 VanDerWaalsContact O-N 3.14Å; A371-L375 WeakPolarHBondContact O-CG 3.34Å; A371-L375 PolarHBondContact O-N 3.43Å; A371-V404 HydrophobicContact CB-CG1 3.54Å; A371-C405 WeakPolarHBondContact CB-O 3.47Å; A371-C405 PolarHBondContact N-O 3.25Å; A371-M417 HydrophobicContact CB-CE 4.02Å
372D81.9Confident89Confident3 Ų331 Ų312%0.01615%0.148CC..Hα-helixtrans-57.3-42.8167.145.2-24.9000111.3E370 L374 L375 Q376 S406 T408 V414 H611E370-D372 VanDerWaalsContact C-N 3.32Å; E370-D372 PolarHBondContact O-N 3.4Å; D372-L374 VanDerWaalsContact C-N 3.29Å; D372-L374 PolarHBondContact O-N 3.3Å; D372-L375 PolarHBondContact O-N 3.49Å; D372-Q376 WeakPolarHBondContact O-CB 3.27Å; D372-Q376 WeakPolarHBondContact O-CG 3.29Å; D372-Q376 PolarHBondContact O-N 3.29Å; D372-S406 WeakPolarHBondContact CB-OG 3.4Å; D372-S406 PolarHBondContact OD1-OG 2.83Å; D372-S406 PolarHBondContact OD2-OG 2.81Å; D372-T408 VanDerWaalsContact CB-OG1 3.23Å; D372-T408 WeakPolarHBondContact CB-OG1 3.36Å; D372-T408 VanDerWaalsContact CG-OG1 3.31Å; D372-T408 PolarHBondContact OD2-N 2.89Å; D372-T408 PolarHBondContact OD2-OG1 3.08Å; D372-V414 HydrophobicContact CB-CG2 3.82Å; D372-H611 IonicContact OD2-CE1 3.58Å; D372-H611 PolarHBondContact OD2-CE1 2.77Å; D372-H611 IonicContact OD2-NE2 2.74Å
373G82.8Confident88.8Confident0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-64.2-29.2174.200000114.7E370 A371 Q377 R587E370-G373 CarbonylContact O-C 3.56Å; E370-G373 WeakPolarHBondContact O-CA 3.13Å; E370-G373 PolarHBondContact O-N 3.31Å; A371-G373 VanDerWaalsContact C-N 3.27Å; A371-G373 PolarHBondContact O-N 2.7Å; G373-Q377 WeakPolarHBondContact O-CG 3.37Å; G373-Q377 PolarHBondContact O-NE2 3.16Å; G373-Q377 VanDerWaalsContact O-NE2 3.13Å; G373-R587 PolarHBondContact O-NH1 3.18Å
374L87.8Confident88.2Confident2 Ų232.8 Ų32.81%0.0116%0.158CC..Hα-helixtrans-73.8-45.2173.3-72.3168.5000111.7I291 P293 P346 L368 E370 A371 D372 Q377 Y379I291-L374 HydrophobicContact CB-CD1 4.16Å; I291-L374 HydrophobicContact CG2-CD1 3.75Å; I291-L374 HydrophobicContact CG2-CD2 3.76Å; I291-L374 HydrophobicContact CG2-CG 4.45Å; P293-L374 HydrophobicContact CB-CD2 3.92Å; P293-L374 HydrophobicContact CB-CG 4.11Å; P293-L374 HydrophobicContact CG-CG 4.45Å; P346-L374 HydrophobicContact CG-CD2 3.86Å; L368-L374 HydrophobicContact CB-CD1 4.19Å; L368-L374 HydrophobicContact CD2-CD1 4.2Å; E370-L374 PolarHBondContact O-N 2.97Å; E370-L374 VanDerWaalsContact O-N 3.08Å; A371-L374 WeakPolarHBondContact O-CB 3.09Å; A371-L374 PolarHBondContact O-N 3.01Å; A371-L374 VanDerWaalsContact O-N 3.14Å; D372-L374 VanDerWaalsContact C-N 3.29Å; D372-L374 PolarHBondContact O-N 3.3Å; L374-Q377 PolarHBondContact O-N 3.18Å; L374-Y379 HydrophobicContact CD2-CD2 4.14Å; L374-Y379 WeakPolarHBondContact O-CB 3.37Å; L374-Y379 PolarHBondContact O-N 3.07Å; L374-Y379 VanDerWaalsContact O-N 3.15Å
375L85.7Confident87.9Confident17 Ų1735.2 Ų35.29%0.08917%0.169CC..Hα-helixtrans-64.3-44.9-179.9-69.3177.9000112A371 D372 Q377 G378 E380 E413 V414 M417A371-L375 WeakPolarHBondContact O-CG 3.34Å; A371-L375 PolarHBondContact O-N 3.43Å; D372-L375 PolarHBondContact O-N 3.49Å; L375-Q377 PolarHBondContact O-N 3.13Å; L375-G378 WeakPolarHBondContact O-CA 3.37Å; L375-G378 PolarHBondContact O-N 3.41Å; L375-E380 HydrophobicContact CD2-CB 3.8Å; L375-E380 HydrophobicContact CD2-CG 4.06Å; L375-E413 HydrophobicContact CD1-CB 4.06Å; L375-V414 HydrophobicContact CD1-CB 4.39Å; L375-V414 HydrophobicContact CD1-CG2 3.86Å; L375-M417 HydrophobicContact CD1-CB 4.01Å; L375-M417 HydrophobicContact CD1-SD 3.95Å; L375-M417 HydrophobicContact CD2-CB 4.34Å; L375-M417 HydrophobicContact CD2-CG 4.19Å; L375-M417 HydrophobicContact CD2-SD 3.67Å; L375-M417 HydrophobicContact CG-SD 3.96Å
376Q80.8Confident87.5Confident34 Ų3435.2 Ų35.216%0.15917%0.169CC..Hα-helixtrans-63.4-25.7178.1-67.8171.75.300113D372 G378 E605 S607 N608D372-Q376 WeakPolarHBondContact O-CB 3.27Å; D372-Q376 WeakPolarHBondContact O-CG 3.29Å; D372-Q376 PolarHBondContact O-N 3.29Å; Q376-G378 PolarHBondContact O-N 3.29Å; Q376-E605 WeakPolarHBondContact CB-OE2 3.47Å; Q376-E605 WeakPolarHBondContact CG-OE2 3.39Å; Q376-E605 PolarHBondContact NE2-OE2 2.87Å; Q376-E605 PolarHBondContact OE1-OE2 2.68Å; Q376-E605 VanDerWaalsContact OE1-OE2 3.09Å; Q376-S607 PolarHBondContact NE2-OG 3Å; Q376-N608 PolarHBondContact OE1-ND2 3.21Å; Q376-N608 VanDerWaalsContact OE1-ND2 3.13Å; Q376-N608 PolarHBondContact OE1-OD1 3.09Å
377Q83Confident87.1Confident58 Ų5836.3 Ų36.327%0.27117%0.174SC..THydrogen-bonded Turntrans-82.91.2172.6-73.9-176.573.800113.5P293 G373 L374 L375 Y379 V584P293-Q377 PolarHBondContact O-NE2 2.87Å; P293-Q377 VanDerWaalsContact O-NE2 3.1Å; G373-Q377 WeakPolarHBondContact O-CG 3.37Å; G373-Q377 PolarHBondContact O-NE2 3.16Å; G373-Q377 VanDerWaalsContact O-NE2 3.13Å; L374-Q377 PolarHBondContact O-N 3.18Å; L375-Q377 PolarHBondContact O-N 3.13Å; Q377-Y379 HydrophobicContact CB-CD2 3.56Å; Q377-Y379 HydrophobicContact CB-CE2 3.49Å; Q377-Y379 VanDerWaalsContact CB-CE2 3.49Å; Q377-Y379 HydrophobicContact CG-CE2 4.34Å; Q377-V584 HydrophobicContact CG-CG2 4.31Å
378G84.3Confident86.5Confident58 Ų5843.4 Ų43.460%0.59821%0.209SC*.THydrogen-bonded Turntrans79.522178.600000114.3L375 Q376 E380L375-G378 WeakPolarHBondContact O-CA 3.37Å; L375-G378 PolarHBondContact O-N 3.41Å; Q376-G378 PolarHBondContact O-N 3.29Å; G378-E380 VanDerWaalsContact C-N 3.3Å; G378-E380 PolarHBondContact O-N 3.38Å
379Y87.3Confident86.1Confident70 Ų7047.7 Ų47.728%0.27523%0.229SC..  trans-85.59.3-180-64.9-61.3000114.5P346 L374 Q377 R381 F382 V383P346-Y379 HydrophobicContact CB-CD1 3.57Å; P346-Y379 HydrophobicContact CB-CD2 4.34Å; P346-Y379 HydrophobicContact CB-CE1 3.57Å; P346-Y379 HydrophobicContact CB-CE2 4.32Å; P346-Y379 HydrophobicContact CB-CG 3.98Å; P346-Y379 HydrophobicContact CG-CD1 3.94Å; P346-Y379 HydrophobicContact CG-CD2 3.82Å; P346-Y379 HydrophobicContact CG-CE1 4.11Å; P346-Y379 HydrophobicContact CG-CE2 3.97Å; P346-Y379 HydrophobicContact CG-CG 3.8Å; L374-Y379 HydrophobicContact CD2-CD2 4.14Å; L374-Y379 WeakPolarHBondContact O-CB 3.37Å; L374-Y379 PolarHBondContact O-N 3.07Å; L374-Y379 VanDerWaalsContact O-N 3.15Å; Q377-Y379 HydrophobicContact CB-CD2 3.56Å; Q377-Y379 HydrophobicContact CB-CE2 3.49Å; Q377-Y379 VanDerWaalsContact CB-CE2 3.49Å; Q377-Y379 HydrophobicContact CG-CE2 4.34Å; Y379-R381 PolarHBondContact O-N 3.48Å; Y379-F382 HydrophobicContact CD1-CB 4.39Å; Y379-F382 WeakPolarHBondContact O-CB 3.43Å; Y379-F382 PolarHBondContact O-N 2.93Å; Y379-V383 WeakPolarHBondContact O-CG2 3.31Å; Y379-V383 PolarHBondContact O-N 2.9Å
380E83.7Confident85.9Confident101 Ų10147.7 Ų47.747%0.47223%0.229SC..Hα-helixtrans-51.2-54.8177.9-174-179-166.400112.1L375 G378 F382 V383 D384L375-E380 HydrophobicContact CD2-CB 3.8Å; L375-E380 HydrophobicContact CD2-CG 4.06Å; G378-E380 VanDerWaalsContact C-N 3.3Å; G378-E380 PolarHBondContact O-N 3.38Å; E380-F382 PolarHBondContact O-N 3.19Å; E380-V383 WeakPolarHBondContact O-CB 3.02Å; E380-V383 PolarHBondContact O-N 3.33Å; E380-V383 VanDerWaalsContact O-N 3.09Å; E380-D384 PolarHBondContact O-N 2.73Å
381R85.1Confident85.6Confident214 Ų21448.7 Ų48.781%0.80824%0.237SC*.Hα-helixtrans-60.5-32.5178.4-67.4-171.7177.7-149.2-1.5113.5Y379 K385Y379-R381 PolarHBondContact O-N 3.48Å; R381-K385 VanDerWaalsContact O-CB 3.3Å; R381-K385 WeakPolarHBondContact O-CB 3.31Å; R381-K385 PolarHBondContact O-N 3.39Å
382F87.7Confident85.2Confident18 Ų1852.9 Ų52.98%0.07926%0.256CS..Hα-helixtrans-68.3-46.4176.8165.2-96.6000110.4I291 P346 L349 E350 Y379 E380 D384 K385 L386I291-F382 HydrophobicContact CG2-CE1 4.45Å; P346-F382 HydrophobicContact CB-CD1 3.7Å; P346-F382 HydrophobicContact CB-CE1 3.61Å; P346-F382 HydrophobicContact CB-CG 4.2Å; P346-F382 HydrophobicContact CB-CZ 4.05Å; P346-F382 HydrophobicContact CG-CD1 4.08Å; P346-F382 HydrophobicContact CG-CE1 3.94Å; L349-F382 HydrophobicContact CB-CZ 4.46Å; L349-F382 HydrophobicContact CD2-CZ 3.94Å; L349-F382 HydrophobicContact CG-CZ 4.34Å; E350-F382 HydrophobicContact CB-CD2 4.16Å; E350-F382 HydrophobicContact CB-CE2 3.73Å; E350-F382 HydrophobicContact CG-CD2 4.36Å; E350-F382 HydrophobicContact CG-CE2 4.24Å; Y379-F382 HydrophobicContact CD1-CB 4.39Å; Y379-F382 WeakPolarHBondContact O-CB 3.43Å; Y379-F382 PolarHBondContact O-N 2.93Å; E380-F382 PolarHBondContact O-N 3.19Å; F382-D384 VanDerWaalsContact C-N 3.34Å; F382-D384 PolarHBondContact O-N 2.8Å; F382-K385 PolarHBondContact O-N 3.49Å; F382-L386 HydrophobicContact CE1-CD2 4.08Å; F382-L386 HydrophobicContact CZ-CD2 4.02Å; F382-L386 VanDerWaalsContact O-CB 3.27Å; F382-L386 WeakPolarHBondContact O-CB 3.5Å; F382-L386 PolarHBondContact O-N 3.22Å
383V89.6Confident85Confident1 Ų155 Ų551%0.00627%0.268CS..Hα-helixtrans-60.1-44.2176.6171.60000110.9F366 L368 Y379 E380 L386 H387 M417 L439F366-V383 HydrophobicContact CE1-CG1 4.35Å; F366-V383 HydrophobicContact CZ-CG1 4.2Å; L368-V383 HydrophobicContact CD1-CG1 3.63Å; L368-V383 HydrophobicContact CD1-CG2 4.4Å; L368-V383 HydrophobicContact CD2-CG1 4.21Å; L368-V383 HydrophobicContact CD2-CG2 4.12Å; Y379-V383 WeakPolarHBondContact O-CG2 3.31Å; Y379-V383 PolarHBondContact O-N 2.9Å; E380-V383 WeakPolarHBondContact O-CB 3.02Å; E380-V383 PolarHBondContact O-N 3.33Å; E380-V383 VanDerWaalsContact O-N 3.09Å; V383-L386 PolarHBondContact O-N 2.99Å; V383-H387 WeakPolarHBondContact O-CB 3.19Å; V383-H387 PolarHBondContact O-N 3.34Å; V383-M417 HydrophobicContact CG1-SD 4.45Å; V383-L439 HydrophobicContact CG1-CD1 3.5Å
384D84.6Confident84.7Confident52 Ų5255.3 Ų55.328%0.27827%0.27SS..Hα-helixtrans-62.1-48.1178.2-69.3-25.9000112.2E380 F382 L386 H387 M388E380-D384 PolarHBondContact O-N 2.73Å; F382-D384 VanDerWaalsContact C-N 3.34Å; F382-D384 PolarHBondContact O-N 2.8Å; D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 2.74Å; D384-H387 PolarHBondContact O-N 2.98Å; D384-M388 WeakPolarHBondContact O-CB 3.47Å; D384-M388 PolarHBondContact O-N 3.03Å
385K85.2Confident84.2Confident90 Ų9057.3 Ų57.339%0.39128%0.283SS..Hα-helixtrans-59.5-44.2176.8178.9-178.5170.9-170.10111E350 R381 F382 M388 Q389E350-K385 IonicContact OE1-NZ 3.01Å; E350-K385 PolarHBondContact OE1-NZ 2.61Å; R381-K385 VanDerWaalsContact O-CB 3.3Å; R381-K385 WeakPolarHBondContact O-CB 3.31Å; R381-K385 PolarHBondContact O-N 3.39Å; F382-K385 PolarHBondContact O-N 3.49Å; K385-M388 PolarHBondContact O-N 2.97Å; K385-Q389 VanDerWaalsContact O-CG 3.31Å; K385-Q389 WeakPolarHBondContact O-CG 3.33Å; K385-Q389 PolarHBondContact O-N 2.95Å; K385-Q389 VanDerWaalsContact O-N 3.07Å
386L90.5Very high83.7Confident1 Ų159.2 Ų59.21%0.00529%0.293CS..Hα-helixtrans-63.3-48.3179-173.466.1000110.9L289 I291 L349 I353 L360 F366 F382 V383 D384 M388 Q389 I390L289-L386 HydrophobicContact CD2-CD1 4.1Å; L289-L386 HydrophobicContact CD2-CD2 3.8Å; L289-L386 HydrophobicContact CD2-CG 4.26Å; I291-L386 HydrophobicContact CD1-CD2 3.91Å; I291-L386 HydrophobicContact CG1-CD2 4.19Å; L349-L386 HydrophobicContact CD2-CD2 4.22Å; I353-L386 HydrophobicContact CD1-CD1 3.4Å; I353-L386 VanDerWaalsContact CD1-CD1 3.4Å; L360-L386 HydrophobicContact CD1-CD1 3.51Å; L360-L386 HydrophobicContact CD2-CD1 4.04Å; L360-L386 HydrophobicContact CG-CD1 4.43Å; F366-L386 HydrophobicContact CD2-CD2 4.37Å; F366-L386 HydrophobicContact CE2-CD2 3.37Å; F366-L386 HydrophobicContact CE2-CG 4.13Å; F366-L386 HydrophobicContact CZ-CB 4.35Å; F366-L386 HydrophobicContact CZ-CD2 3.57Å; F366-L386 HydrophobicContact CZ-CG 4.05Å; F382-L386 HydrophobicContact CE1-CD2 4.08Å; F382-L386 HydrophobicContact CZ-CD2 4.02Å; F382-L386 VanDerWaalsContact O-CB 3.27Å; F382-L386 WeakPolarHBondContact O-CB 3.5Å; F382-L386 PolarHBondContact O-N 3.22Å; V383-L386 PolarHBondContact O-N 2.99Å; D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 2.74Å; L386-M388 VanDerWaalsContact C-N 3.31Å; L386-M388 PolarHBondContact O-N 3.38Å; L386-Q389 PolarHBondContact O-N 3.01Å; L386-I390 HydrophobicContact CG-CD1 4.11Å; L386-I390 VanDerWaalsContact O-CG1 3.3Å; L386-I390 WeakPolarHBondContact O-CG1 3.36Å; L386-I390 PolarHBondContact O-N 3.35Å
387H87.7Confident83.4Confident24 Ų2458.4 Ų58.411%0.11130%0.295CS..Hα-helixtrans-57-44.4174.9176.4-107.3000111.6F366 V383 D384 Q389 I390 K392 M402 L439F366-H387 HydrophobicContact CE1-CB 4.06Å; V383-H387 WeakPolarHBondContact O-CB 3.19Å; V383-H387 PolarHBondContact O-N 3.34Å; D384-H387 PolarHBondContact O-N 2.98Å; H387-Q389 PolarHBondContact O-N 3.32Å; H387-I390 PolarHBondContact O-N 3.26Å; H387-K392 PolarHBondContact CD2-NZ 3.32Å; H387-K392 PolarHBondContact CE1-NZ 2.99Å; H387-K392 PolarHBondContact ND1-NZ 3.26Å; H387-K392 PolarHBondContact NE2-NZ 2.96Å; H387-K392 PolarHBondContact O-NZ 3.34Å; H387-M402 PolarHBondContact CD2-SD 3.11Å; H387-L439 HydrophobicContact CB-CD2 3.44Å; H387-L439 VanDerWaalsContact CB-CD2 3.44Å; H387-L439 VanDerWaalsContact CG-CD2 3.41Å; H387-L439 WeakPolarHBondContact ND1-CD2 3.43Å; H387-L439 PolarHBondContact NE2-O 3.39Å
388M83.9Confident83.3Confident148 Ų14858.1 Ų58.173%0.72929%0.293SS*.Hα-helixtrans-60.8-34177.2-172.8177.465.900112.6D384 K385 L386D384-M388 WeakPolarHBondContact O-CB 3.47Å; D384-M388 PolarHBondContact O-N 3.03Å; K385-M388 PolarHBondContact O-N 2.97Å; L386-M388 VanDerWaalsContact C-N 3.31Å; L386-M388 PolarHBondContact O-N 3.38Å
389Q86.9Confident83.1Confident91 Ų9159.4 Ų59.443%0.42528%0.279SS..Hα-helixtrans-79.9-20.8178-67.9177.9-45.300113.9L360 K385 L386 H387L360-Q389 HydrophobicContact CD1-CB 3.67Å; K385-Q389 VanDerWaalsContact O-CG 3.31Å; K385-Q389 WeakPolarHBondContact O-CG 3.33Å; K385-Q389 PolarHBondContact O-N 2.95Å; K385-Q389 VanDerWaalsContact O-N 3.07Å; L386-Q389 PolarHBondContact O-N 3.01Å; H387-Q389 PolarHBondContact O-N 3.32Å
390I89Confident83Confident3 Ų356.1 Ų56.12%0.01527%0.267CS..SBendtrans-79.5128.8177.8-65.8165.3000109.8L289 L360 V363 F366 L386 H387 K392 L400L289-I390 HydrophobicContact CD2-CD1 4.5Å; L360-I390 HydrophobicContact CB-CG1 4.11Å; L360-I390 HydrophobicContact CD1-CG1 3.99Å; L360-I390 HydrophobicContact CD2-CG1 4.42Å; L360-I390 HydrophobicContact CG-CG1 4.4Å; V363-I390 HydrophobicContact CB-CG1 4.5Å; V363-I390 HydrophobicContact CB-CG2 4.05Å; V363-I390 HydrophobicContact CG1-CD1 4.12Å; V363-I390 HydrophobicContact CG1-CG1 4.35Å; V363-I390 HydrophobicContact CG1-CG2 4Å; F366-I390 HydrophobicContact CB-CD1 3.96Å; F366-I390 HydrophobicContact CD1-CD1 3.81Å; F366-I390 HydrophobicContact CD2-CD1 3.89Å; F366-I390 HydrophobicContact CE1-CD1 4.27Å; F366-I390 HydrophobicContact CE2-CD1 4.32Å; F366-I390 HydrophobicContact CG-CD1 3.62Å; L386-I390 HydrophobicContact CG-CD1 4.11Å; L386-I390 VanDerWaalsContact O-CG1 3.3Å; L386-I390 WeakPolarHBondContact O-CG1 3.36Å; L386-I390 PolarHBondContact O-N 3.35Å; H387-I390 PolarHBondContact O-N 3.26Å; I390-K392 PolarHBondContact O-N 2.9Å; I390-K392 PolarHBondContact O-NZ 2.87Å; I390-L400 HydrophobicContact CB-CD2 4.23Å; I390-L400 HydrophobicContact CG2-CD1 3.53Å; I390-L400 HydrophobicContact CG2-CD2 3.6Å; I390-L400 HydrophobicContact CG2-CG 4.1Å
391P81.2Confident83.3Confident38 Ų3851.5 Ų51.525%0.24725%0.245CC..  trans-61.4135176.627.8-35.4000110.9L360 V393L360-P391 WeakPolarHBondContact O-CD 3.49Å; P391-V393 PolarHBondContact O-N 2.83Å
392K80.5Confident83.6Confident88 Ų8841.3 Ų41.338%0.38321%0.207SC..SBendtrans-72.5-21.3177.6-54.2-58.5164.5-138.80113.1H387 I390 R399 L400H387-K392 PolarHBondContact CD2-NZ 3.32Å; H387-K392 PolarHBondContact CE1-NZ 2.99Å; H387-K392 PolarHBondContact ND1-NZ 3.26Å; H387-K392 PolarHBondContact NE2-NZ 2.96Å; H387-K392 PolarHBondContact O-NZ 3.34Å; I390-K392 PolarHBondContact O-N 2.9Å; I390-K392 PolarHBondContact O-NZ 2.87Å; K392-R399 CarbonylContact O-C 3.55Å; K392-R399 WeakPolarHBondContact O-CA 3.4Å; K392-R399 WeakPolarHBondContact O-CG 3.41Å; K392-L400 HydrophobicContact CD-CD2 4.29Å; K392-L400 PolarHBondContact O-N 3.1Å
393V77.2Confident83.9Confident47 Ų4740.5 Ų40.529%0.28520%0.203SC..BIsolated β-bridgetrans-134.4126.3171.4-176.40000108.1Y113 P391 K398Y113-V393 HydrophobicContact CE1-CB 4.28Å; Y113-V393 HydrophobicContact CE1-CG1 3.87Å; Y113-V393 HydrophobicContact CE1-CG2 4.21Å; P391-V393 PolarHBondContact O-N 2.83Å; V393-K398 CarbonylContact C-O 3.49Å; V393-K398 VanDerWaalsContact CA-O 3.26Å; V393-K398 WeakPolarHBondContact CA-O 3.15Å; V393-K398 WeakPolarHBondContact CG1-O 3.44Å
394T77.8Confident84Confident7 Ų740.4 Ų40.44%0.04320%0.203CC..  trans-77.2163.3177.145.20000111.4V363 R364 D396 G397 K398V363-T394 WeakPolarHBondContact O-CG2 3.34Å; R364-T394 HydrophobicContact CB-CG2 4.05Å; T394-D396 VanDerWaalsContact CB-OD1 3.27Å; T394-D396 WeakPolarHBondContact CB-OD1 3.43Å; T394-D396 PolarHBondContact O-N 3.14Å; T394-D396 PolarHBondContact OG1-OD1 3.46Å; T394-G397 WeakPolarHBondContact O-CA 3.16Å; T394-G397 PolarHBondContact O-N 3.37Å; T394-K398 PolarHBondContact N-O 2.81Å; T394-K398 PolarHBondContact OG1-O 3.31Å
395P75.8Confident84.3Confident43 Ų4338 Ų3828%0.27919%0.189SC..THydrogen-bonded Turntrans-58.7-20-176.5-28.536.9000116.1L279 G397L279-P395 WeakPolarHBondContact CD2-O 3.41Å; P395-G397 PolarHBondContact O-N 3.45Å
396D75.7Confident84.2Confident57 Ų5733.7 Ų33.731%0.30517%0.171SC..THydrogen-bonded Turntrans-83.27.417367-21.3000113.4L279 T394 K398L279-D396 HydrophobicContact CD2-CB 4.22Å; T394-D396 VanDerWaalsContact CB-OD1 3.27Å; T394-D396 WeakPolarHBondContact CB-OD1 3.43Å; T394-D396 PolarHBondContact O-N 3.14Å; T394-D396 PolarHBondContact OG1-OD1 3.46Å; D396-K398 VanDerWaalsContact C-N 3.29Å; D396-K398 PolarHBondContact O-N 3.09Å; D396-K398 PolarHBondContact OD1-N 2.9Å; D396-K398 WeakPolarHBondContact OD2-CG 3.33Å
397G74.5Confident83.4Confident18 Ų1833.8 Ų33.819%0.18617%0.172CC..SBendtrans76.512.5178.700000114.1Y113 T394 P395Y113-G397 WeakPolarHBondContact OH-CA 3.32Å; T394-G397 WeakPolarHBondContact O-CA 3.16Å; T394-G397 PolarHBondContact O-N 3.37Å; P395-G397 PolarHBondContact O-N 3.45Å
398K80.6Confident82.5Confident52 Ų5232.7 Ų32.723%0.22617%0.167CC..PPolyproline II helixtrans-89.4140.2178.1-58.8-60.4180-178.50111V393 T394 D396V393-K398 CarbonylContact C-O 3.49Å; V393-K398 VanDerWaalsContact CA-O 3.26Å; V393-K398 WeakPolarHBondContact CA-O 3.15Å; V393-K398 WeakPolarHBondContact CG1-O 3.44Å; T394-K398 PolarHBondContact N-O 2.81Å; T394-K398 PolarHBondContact OG1-O 3.31Å; D396-K398 VanDerWaalsContact C-N 3.29Å; D396-K398 PolarHBondContact O-N 3.09Å; D396-K398 PolarHBondContact OD1-N 2.9Å; D396-K398 WeakPolarHBondContact OD2-CG 3.33Å
399R80.6Confident81.6Confident84 Ų8425.7 Ų25.732%0.31713%0.132SC..BIsolated β-bridgetrans-70.1145.7175.9-169.3-166.6149.2-98.4-16.9110.3D45 K392 Q401 H441D45-R399 VanDerWaalsContact CG-NH2 3.29Å; D45-R399 IonicContact OD1-CZ 2.63Å; D45-R399 IonicContact OD1-NH1 3.5Å; D45-R399 PolarHBondContact OD1-NH1 3.06Å; D45-R399 IonicContact OD1-NH2 3.06Å; D45-R399 PolarHBondContact OD1-NH2 3.04Å; D45-R399 VanDerWaalsContact OD1-NH2 3.09Å; D45-R399 IonicContact OD2-CZ 3.72Å; D45-R399 IonicContact OD2-NH1 3.72Å; D45-R399 IonicContact OD2-NH2 2.74Å; D45-R399 PolarHBondContact OD2-NH2 3.05Å; K392-R399 CarbonylContact O-C 3.55Å; K392-R399 WeakPolarHBondContact O-CA 3.4Å; K392-R399 WeakPolarHBondContact O-CG 3.41Å; R399-Q401 PolarHBondContact O-N 3.06Å; R399-H441 VanDerWaalsContact CZ-CB 3.4Å
400L85.7Confident80.4Confident2 Ų224.4 Ų24.41%0.0113%0.126CC..PPolyproline II helixtrans-56.2122.5161.2175.463000110V363 R364 F366 I390 K392 M402V363-L400 HydrophobicContact CG1-CD1 4.46Å; R364-L400 CarbonylContact O-C 3.58Å; R364-L400 WeakPolarHBondContact O-CA 3.45Å; F366-L400 HydrophobicContact CB-CD1 3.9Å; I390-L400 HydrophobicContact CB-CD2 4.23Å; I390-L400 HydrophobicContact CG2-CD1 3.53Å; I390-L400 HydrophobicContact CG2-CD2 3.6Å; I390-L400 HydrophobicContact CG2-CG 4.1Å; K392-L400 HydrophobicContact CD-CD2 4.29Å; K392-L400 PolarHBondContact O-N 3.1Å; L400-M402 HydrophobicContact CD2-CG 4.46Å; L400-M402 HydrophobicContact CG-CG 4.39Å
401Q88.8Confident79.3Confident4 Ų425.6 Ų25.62%0.01914%0.135CC..EExtended strand (participates in β ladder)trans-104.5130.2173.9-169.6173.2-3.900109.6I40 G44 D45 R364 F365 F366 R399I40-Q401 PolarHBondContact O-NE2 3.48Å; G44-Q401 WeakPolarHBondContact O-CG 3.25Å; G44-Q401 PolarHBondContact O-NE2 3.18Å; D45-Q401 WeakPolarHBondContact OD1-CA 3.45Å; R364-Q401 PolarHBondContact O-N 3.45Å; F365-Q401 WeakPolarHBondContact CA-O 3.45Å; F365-Q401 HydrophobicContact CD1-CB 4.05Å; F365-Q401 HydrophobicContact CD1-CG 4.46Å; F365-Q401 HydrophobicContact CE1-CB 4.17Å; F365-Q401 HydrophobicContact CE1-CG 4.4Å; F366-Q401 PolarHBondContact N-O 3.15Å; R399-Q401 PolarHBondContact O-N 3.06Å
402M91.3Very high78.6Confident0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-108.9132.5178.9-69.5-163.963.200111.7D45 V46 F366 H387 L400 L439 M440D45-M402 CarbonylContact C-O 3.53Å; D45-M402 WeakPolarHBondContact CA-O 3.38Å; D45-M402 WeakPolarHBondContact CB-O 3.31Å; D45-M402 PolarHBondContact OD1-N 3.08Å; V46-M402 PolarHBondContact N-O 2.87Å; F366-M402 HydrophobicContact CB-CG 4.3Å; F366-M402 HydrophobicContact CD1-CE 3.35Å; F366-M402 HydrophobicContact CD1-CG 4.27Å; F366-M402 HydrophobicContact CD1-SD 3.94Å; F366-M402 HydrophobicContact CE1-CE 3.63Å; F366-M402 HydrophobicContact CG-CE 4.31Å; F366-M402 VanDerWaalsContact O-CA 3.31Å; F366-M402 WeakPolarHBondContact O-CA 3.24Å; H387-M402 PolarHBondContact CD2-SD 3.11Å; L400-M402 HydrophobicContact CD2-CG 4.46Å; L400-M402 HydrophobicContact CG-CG 4.39Å; M402-L439 HydrophobicContact CE-CB 3.68Å; M402-L439 HydrophobicContact CE-CD1 4.15Å; M402-L439 HydrophobicContact CE-CG 4.44Å; M402-L439 HydrophobicContact SD-CB 3.75Å; M402-M440 HydrophobicContact CB-CE 4.44Å; M402-M440 HydrophobicContact CB-CG 4.01Å; M402-M440 WeakPolarHBondContact O-CE 3.41Å; M402-M440 HydrophobicContact SD-CG 4.48Å
403I94Very high78.1Confident0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-124.3128.8175.1-61.1134.5000107.9I40 V46 M48 F60 V64 F365 F366 I367 L368I40-I403 HydrophobicContact CD1-CD1 4.19Å; I40-I403 HydrophobicContact CD1-CG1 4.1Å; I40-I403 HydrophobicContact CD1-CG2 4.32Å; I40-I403 HydrophobicContact CG1-CD1 4.37Å; I40-I403 HydrophobicContact CG1-CG1 4.16Å; I40-I403 HydrophobicContact CG2-CD1 4.03Å; V46-I403 CarbonylContact O-C 3.52Å; V46-I403 VanDerWaalsContact O-CA 3.32Å; V46-I403 WeakPolarHBondContact O-CA 3.47Å; M48-I403 HydrophobicContact CE-CG2 3.61Å; F60-I403 HydrophobicContact CB-CG2 3.98Å; V64-I403 HydrophobicContact CG2-CD1 3.99Å; F365-I403 HydrophobicContact CD1-CD1 4.14Å; F366-I403 PolarHBondContact O-N 3.47Å; F366-I403 VanDerWaalsContact O-N 3.1Å; I367-I403 CarbonylContact C-O 3.58Å; I367-I403 VanDerWaalsContact CA-O 3.24Å; I367-I403 WeakPolarHBondContact CA-O 3.16Å; I367-I403 HydrophobicContact CD1-CD1 3.8Å; I367-I403 HydrophobicContact CG1-CB 4.15Å; I367-I403 HydrophobicContact CG1-CD1 3.94Å; I367-I403 HydrophobicContact CG2-CB 4.17Å; I367-I403 HydrophobicContact CG2-CG2 4.29Å; L368-I403 PolarHBondContact N-O 2.83Å
404V92.4Very high77.7Confident0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-126118.3-179.3176.50000108V46 L47 M48 L368 A371 M417 M440V46-V404 PolarHBondContact O-N 3.21Å; L47-V404 CarbonylContact C-O 3.56Å; L47-V404 WeakPolarHBondContact CA-O 3.41Å; L47-V404 HydrophobicContact CD1-CB 3.53Å; L47-V404 HydrophobicContact CD1-CG1 3.5Å; M48-V404 PolarHBondContact N-O 3.29Å; L368-V404 HydrophobicContact CB-CG1 4.47Å; L368-V404 HydrophobicContact CB-CG2 4.24Å; L368-V404 HydrophobicContact CD1-CG2 4.12Å; L368-V404 HydrophobicContact CG-CG2 4.35Å; L368-V404 WeakPolarHBondContact O-CA 3.47Å; A371-V404 HydrophobicContact CB-CG1 3.54Å; V404-M417 HydrophobicContact CG1-CE 3.79Å; V404-M417 HydrophobicContact CG2-CE 4.36Å; V404-M440 HydrophobicContact CB-CE 4.05Å; V404-M440 HydrophobicContact CB-SD 4.14Å; V404-M440 HydrophobicContact CG2-CE 3.77Å; V404-M440 HydrophobicContact CG2-CG 4.41Å; V404-M440 HydrophobicContact CG2-SD 3.63Å
405C90.4Very high77.3Confident0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-105.6134176.7-46.60000108.4M48 K56 F60 L368 D369 E370 A371M48-C405 WeakPolarHBondContact CE-SG 3.23Å; K56-C405 HydrophobicContact CD-CB 4.27Å; F60-C405 WeakPolarHBondContact CD1-SG 3.4Å; L368-C405 PolarHBondContact O-N 2.9Å; D369-C405 WeakPolarHBondContact OD1-CB 3.45Å; E370-C405 PolarHBondContact N-O 2.96Å; A371-C405 WeakPolarHBondContact CB-O 3.47Å; A371-C405 PolarHBondContact N-O 3.25Å
406S83.7Confident76.9Confident0 Ų032.2 Ų32.20%016%0.156CC..EExtended strand (participates in β ladder)trans-146.5154.4173.7-176.90000110.8M48 A49 A50 D372 T408M48-S406 PolarHBondContact O-N 2.9Å; A49-S406 WeakPolarHBondContact CA-O 3.5Å; A50-S406 PolarHBondContact N-O 3.34Å; D372-S406 WeakPolarHBondContact CB-OG 3.4Å; D372-S406 PolarHBondContact OD1-OG 2.83Å; D372-S406 PolarHBondContact OD2-OG 2.81Å; S406-T408 PolarHBondContact OG-N 3.02Å
407A74Confident76.7Confident4 Ų429.9 Ų29.93%0.03314%0.143CC..SBendtrans-82.3-15.7165.700000112.4K449 H611A407-K449 WeakPolarHBondContact O-CD 3.42Å; A407-K449 WeakPolarHBondContact O-CE 3.42Å; A407-K449 PolarHBondContact O-NZ 2.97Å; A407-H611 VanDerWaalsContact CB-NE2 3.33Å; A407-H611 WeakPolarHBondContact CB-NE2 3.46Å
408T67.9Low76Confident0 Ų029 Ų290%013%0.134CC..  trans-134.570.7-172.9590000112.3D372 S406 H410 S411D372-T408 VanDerWaalsContact CB-OG1 3.23Å; D372-T408 WeakPolarHBondContact CB-OG1 3.36Å; D372-T408 VanDerWaalsContact CG-OG1 3.31Å; D372-T408 PolarHBondContact OD2-N 2.89Å; D372-T408 PolarHBondContact OD2-OG1 3.08Å; S406-T408 PolarHBondContact OG-N 3.02Å; T408-H410 PolarHBondContact O-N 2.96Å; T408-S411 WeakPolarHBondContact O-CB 3.31Å; T408-S411 PolarHBondContact O-N 3.09Å; T408-S411 VanDerWaalsContact O-N 3.16Å; T408-S411 PolarHBondContact O-OG 3.13Å
409L65.5Low74.9Confident1 Ų128 Ų281%0.00513%0.132CC..THydrogen-bonded Turntrans-69.9-17.9-179.4-166.165.6000113.8L47 A49 S411 V414 K415 W445 D447L47-L409 HydrophobicContact CD1-CD1 3.4Å; L47-L409 HydrophobicContact CD2-CD1 3.52Å; L47-L409 HydrophobicContact CD2-CD2 4.12Å; L47-L409 HydrophobicContact CD2-CG 4.29Å; L47-L409 HydrophobicContact CG-CD1 3.28Å; L47-L409 HydrophobicContact CG-CD2 3.88Å; L47-L409 HydrophobicContact CG-CG 4.21Å; A49-L409 HydrophobicContact CB-CB 3.25Å; A49-L409 HydrophobicContact CB-CD2 3.81Å; A49-L409 HydrophobicContact CB-CG 4.12Å; L409-S411 VanDerWaalsContact C-N 3.27Å; L409-S411 PolarHBondContact O-N 3.16Å; L409-V414 HydrophobicContact CD1-CG1 3.75Å; L409-K415 WeakPolarHBondContact O-CD 3.4Å; L409-K415 WeakPolarHBondContact O-CE 3.46Å; L409-K415 WeakPolarHBondContact O-CG 3.46Å; L409-W445 HydrophobicContact CD1-CZ3 4.35Å; L409-W445 HydrophobicContact CD2-CD2 4.23Å; L409-W445 HydrophobicContact CD2-CE3 3.26Å; L409-W445 HydrophobicContact CD2-CH2 4.46Å; L409-W445 HydrophobicContact CD2-CZ3 3.39Å; L409-W445 HydrophobicContact CG-CE3 4.06Å; L409-W445 HydrophobicContact CG-CH2 4.47Å; L409-W445 HydrophobicContact CG-CZ3 3.64Å; L409-D447 HydrophobicContact CD2-CB 4.43Å
410H61.8Low73.2Confident65 Ų6532.3 Ų32.330%0.30115%0.149SC..THydrogen-bonded Turntrans-78.4-8.6174.6-63.5-81.6000114.1T408 M412 D447 G450T408-H410 PolarHBondContact O-N 2.96Å; H410-M412 PolarHBondContact O-N 2.97Å; H410-D447 IonicContact CE1-OD2 2.77Å; H410-D447 PolarHBondContact CE1-OD2 2.78Å; H410-D447 IonicContact NE2-OD1 3.69Å; H410-D447 IonicContact NE2-OD2 3.38Å; H410-D447 PolarHBondContact NE2-OD2 3.11Å; H410-G450 VanDerWaalsContact CD2-C 3.46Å; H410-G450 PolarHBondContact CD2-O 3.01Å; H410-G450 WeakPolarHBondContact NE2-CA 3.45Å; H410-G450 PolarHBondContact NE2-O 3.44Å
411S66.2Low70.8Confident27 Ų2736.5 Ų36.519%0.18917%0.165CC..SBendtrans-61.5132.7173.968.40000109.9T408 L409 E413 V414 K415T408-S411 WeakPolarHBondContact O-CB 3.31Å; T408-S411 PolarHBondContact O-N 3.09Å; T408-S411 VanDerWaalsContact O-N 3.16Å; T408-S411 PolarHBondContact O-OG 3.13Å; L409-S411 VanDerWaalsContact C-N 3.27Å; L409-S411 PolarHBondContact O-N 3.16Å; S411-E413 PolarHBondContact O-N 3.37Å; S411-E413 VanDerWaalsContact O-N 3.14Å; S411-V414 PolarHBondContact O-N 3.08Å; S411-V414 VanDerWaalsContact OG-CB 3.28Å; S411-V414 WeakPolarHBondContact OG-CB 3.48Å; S411-V414 WeakPolarHBondContact OG-CG2 3.41Å; S411-V414 PolarHBondContact OG-N 3.13Å; S411-K415 WeakPolarHBondContact O-CB 3.46Å; S411-K415 WeakPolarHBondContact O-CG 3.47Å; S411-K415 PolarHBondContact O-N 2.9Å; S411-K415 VanDerWaalsContact O-N 3.12Å
412M66.8Low68Low115 Ų11544.6 Ų44.657%0.56720%0.195SC*.Hα-helixtrans-60.5-28.2-178.3-148.6-155.8-76.500111H410 K416H410-M412 PolarHBondContact O-N 2.97Å; M412-K416 HydrophobicContact CG-CD 4.46Å; M412-K416 WeakPolarHBondContact O-CB 3.49Å; M412-K416 WeakPolarHBondContact O-CD 3.15Å; M412-K416 WeakPolarHBondContact O-CG 3.1Å; M412-K416 PolarHBondContact O-N 2.64Å; M412-K416 HydrophobicContact SD-CD 4.39Å; M412-K416 WeakPolarHBondContact SD-CE 3.33Å; M412-K416 PolarHBondContact SD-NZ 2.89Å
413E70.3Confident65Low109 Ų10953.6 Ų53.651%0.50923%0.231SC..Hα-helixtrans-72.1-50.5-179.8-61.7175.8153.500112.5L375 S411 K415 K416 M417L375-E413 HydrophobicContact CD1-CB 4.06Å; S411-E413 PolarHBondContact O-N 3.37Å; S411-E413 VanDerWaalsContact O-N 3.14Å; E413-K415 VanDerWaalsContact C-N 3.32Å; E413-K415 PolarHBondContact O-N 2.79Å; E413-K416 PolarHBondContact O-N 2.74Å; E413-K416 VanDerWaalsContact O-N 3.16Å; E413-M417 WeakPolarHBondContact O-CB 3.48Å; E413-M417 PolarHBondContact O-N 2.99Å
414V67.8Low61.7Low1 Ų159.7 Ų59.71%0.00627%0.268CS..Hα-helixtrans-62.6-43.6176.4176.90000110.1D372 L375 L409 S411 K416 M417 A418D372-V414 HydrophobicContact CB-CG2 3.82Å; L375-V414 HydrophobicContact CD1-CB 4.39Å; L375-V414 HydrophobicContact CD1-CG2 3.86Å; L409-V414 HydrophobicContact CD1-CG1 3.75Å; S411-V414 PolarHBondContact O-N 3.08Å; S411-V414 VanDerWaalsContact OG-CB 3.28Å; S411-V414 WeakPolarHBondContact OG-CB 3.48Å; S411-V414 WeakPolarHBondContact OG-CG2 3.41Å; S411-V414 PolarHBondContact OG-N 3.13Å; V414-K416 VanDerWaalsContact C-N 3.31Å; V414-K416 PolarHBondContact O-N 3.32Å; V414-M417 PolarHBondContact O-N 3.13Å; V414-A418 VanDerWaalsContact O-CB 3.23Å; V414-A418 WeakPolarHBondContact O-CB 2.96Å; V414-A418 PolarHBondContact O-N 3.44Å
415K68.7Low58.5Low34 Ų3468.2 Ų68.215%0.14831%0.308CS..Hα-helixtrans-58.1-43.7174.5-74-174.6158.6-175.10112.1L409 S411 E413 V419 Y421 W445L409-K415 WeakPolarHBondContact O-CD 3.4Å; L409-K415 WeakPolarHBondContact O-CE 3.46Å; L409-K415 WeakPolarHBondContact O-CG 3.46Å; S411-K415 WeakPolarHBondContact O-CB 3.46Å; S411-K415 WeakPolarHBondContact O-CG 3.47Å; S411-K415 PolarHBondContact O-N 2.9Å; S411-K415 VanDerWaalsContact O-N 3.12Å; E413-K415 VanDerWaalsContact C-N 3.32Å; E413-K415 PolarHBondContact O-N 2.79Å; K415-V419 CarbonylContact O-C 3.55Å; K415-V419 PolarHBondContact O-N 2.97Å; K415-Y421 HydrophobicContact CB-CD2 3.79Å; K415-Y421 HydrophobicContact CB-CE2 3.53Å; K415-Y421 HydrophobicContact CD-CE1 4.47Å; K415-Y421 HydrophobicContact CD-CE2 3.63Å; K415-Y421 WeakPolarHBondContact CD-OH 3.11Å; K415-Y421 WeakPolarHBondContact CE-OH 3.38Å; K415-Y421 HydrophobicContact CG-CE2 3.77Å; K415-Y421 PolarHBondContact NZ-OH 3.32Å; K415-W445 HydrophobicContact CD-CH2 4.46Å; K415-W445 HydrophobicContact CG-CH2 4.07Å
416K67.5Low55.6Low104 Ų10474.6 Ų74.645%0.45235%0.346SS..Hα-helixtrans-65.4-45.3177.8-83.7169.8-178.6172.80111.3M412 E413 V414 R438M412-K416 HydrophobicContact CG-CD 4.46Å; M412-K416 WeakPolarHBondContact O-CB 3.49Å; M412-K416 WeakPolarHBondContact O-CD 3.15Å; M412-K416 WeakPolarHBondContact O-CG 3.1Å; M412-K416 PolarHBondContact O-N 2.64Å; M412-K416 HydrophobicContact SD-CD 4.39Å; M412-K416 WeakPolarHBondContact SD-CE 3.33Å; M412-K416 PolarHBondContact SD-NZ 2.89Å; E413-K416 PolarHBondContact O-N 2.74Å; E413-K416 VanDerWaalsContact O-N 3.16Å; V414-K416 VanDerWaalsContact C-N 3.31Å; V414-K416 PolarHBondContact O-N 3.32Å; K416-R438 WeakPolarHBondContact O-CD 3.2Å; K416-R438 PolarHBondContact O-NH1 2.86Å
417M71.5Confident52.9Low8 Ų880.6 Ų80.64%0.03938%0.383CS..Hα-helixtrans-63.5-47.9179.3-177-158.767.300111.5L368 A371 L375 V383 V404 E413 V414 L439L368-M417 HydrophobicContact CD1-CE 3.72Å; L368-M417 HydrophobicContact CD1-SD 3.84Å; A371-M417 HydrophobicContact CB-CE 4.02Å; L375-M417 HydrophobicContact CD1-CB 4.01Å; L375-M417 HydrophobicContact CD1-SD 3.95Å; L375-M417 HydrophobicContact CD2-CB 4.34Å; L375-M417 HydrophobicContact CD2-CG 4.19Å; L375-M417 HydrophobicContact CD2-SD 3.67Å; L375-M417 HydrophobicContact CG-SD 3.96Å; V383-M417 HydrophobicContact CG1-SD 4.45Å; V404-M417 HydrophobicContact CG1-CE 3.79Å; V404-M417 HydrophobicContact CG2-CE 4.36Å; E413-M417 WeakPolarHBondContact O-CB 3.48Å; E413-M417 PolarHBondContact O-N 2.99Å; V414-M417 PolarHBondContact O-N 3.13Å; M417-L439 HydrophobicContact CG-CD1 3.68Å; M417-L439 HydrophobicContact SD-CD1 4.31Å
418A60Low50.7Low0 Ų085.5 Ų85.50%041%0.412CS..Hα-helixtrans-75.5-42.7-174.400000113.3L47 V414 M440L47-A418 HydrophobicContact CD1-CB 3.74Å; L47-A418 HydrophobicContact CD2-CB 3.73Å; L47-A418 HydrophobicContact CG-CB 4.38Å; V414-A418 VanDerWaalsContact O-CB 3.23Å; V414-A418 WeakPolarHBondContact O-CB 2.96Å; V414-A418 PolarHBondContact O-N 3.44Å; A418-M440 HydrophobicContact CB-SD 3.7Å; A418-M440 WeakPolarHBondContact O-CB 3.47Å
419V58Low48.9Very low30 Ų3091.2 Ų91.218%0.18245%0.447CS..SBendtrans-136145.4-167.6-179.30000112.8L47 K415 Y421 R438 P443 W445L47-V419 HydrophobicContact CD2-CG2 4.15Å; K415-V419 CarbonylContact O-C 3.55Å; K415-V419 PolarHBondContact O-N 2.97Å; V419-Y421 PolarHBondContact O-N 3.3Å; V419-R438 PolarHBondContact O-NH1 3.47Å; V419-P443 HydrophobicContact CG2-CG 3.28Å; V419-W445 HydrophobicContact CB-CZ2 4.19Å; V419-W445 HydrophobicContact CG1-CZ2 4.49Å; V419-W445 HydrophobicContact CG2-CZ2 3.71Å
420R45.9Very low47Very low175 Ų175101.8 Ų101.866%0.6649%0.488SS*.  trans-65.490165.9-171.9170.2-178.6140.7-1.8113.1R422R420-R422 PolarHBondContact O-N 3.4Å
421Y33.9Very low45.4Very low90 Ų90103.2 Ų103.235%0.35351%0.506SS..  trans-68122168.2-100.7-99000111.6K415 V419 Y423 W445K415-Y421 HydrophobicContact CB-CD2 3.79Å; K415-Y421 HydrophobicContact CB-CE2 3.53Å; K415-Y421 HydrophobicContact CD-CE1 4.47Å; K415-Y421 HydrophobicContact CD-CE2 3.63Å; K415-Y421 WeakPolarHBondContact CD-OH 3.11Å; K415-Y421 WeakPolarHBondContact CE-OH 3.38Å; K415-Y421 HydrophobicContact CG-CE2 3.77Å; K415-Y421 PolarHBondContact NZ-OH 3.32Å; V419-Y421 PolarHBondContact O-N 3.3Å; Y421-Y423 PolarHBondContact O-N 3.34Å; Y421-W445 HydrophobicContact CE2-CH2 4.09Å; Y421-W445 HydrophobicContact CE2-CZ2 4.39Å
422R29.6Very low43.5Very low174 Ų174110.3 Ų110.366%0.65754%0.541SS*.  trans-76.1104.8156.3-76.8-171-174.5155.213.1107.6R420R420-R422 PolarHBondContact O-N 3.4Å
423Y28.3Very low41.6Very low189 Ų189111.2 Ų111.274%0.74155%0.548SS*.  trans-93.9105150.9-110.8-90.6000106.5Y421 Q425Y421-Y423 PolarHBondContact O-N 3.34Å; Y423-Q425 VanDerWaalsContact C-N 3.26Å; Y423-Q425 PolarHBondContact O-N 3.02Å; Y423-Q425 VanDerWaalsContact O-N 3.09Å
424T25.6Very low39.6Very low128 Ų128112.1 Ų112.179%0.78556%0.561SS**  trans-76.485165.6-32.40000106.6
425Q25.9Very low37.7Very low179 Ų179120.8 Ų120.884%0.83660%0.598SS**SBendtrans-158.3136.7144.4-81-135.8200109Y423 T427Y423-Q425 VanDerWaalsContact C-N 3.26Å; Y423-Q425 PolarHBondContact O-N 3.02Å; Y423-Q425 VanDerWaalsContact O-N 3.09Å; Q425-T427 PolarHBondContact O-N 3.31Å
426V28.1Very low35.8Very low134 Ų134126.4 Ų126.481%0.81263%0.625SS**  trans-63.3117.7-173172.70000111
427T28.2Very low34.6Very low126 Ų126125.2 Ų125.277%0.77362%0.624SS**  trans-143.8121.7148.6-51.30000109.2Q425 V429Q425-T427 PolarHBondContact O-N 3.31Å; T427-V429 PolarHBondContact O-N 2.89Å
428V27.7Very low33.9Very low106 Ų106129.5 Ų129.564%0.64264%0.64SS**  trans-65.5120175.7177.60000108.9Y430V428-Y430 HydrophobicContact CG1-CD2 3.79Å; V428-Y430 HydrophobicContact CG1-CE2 3.56Å
429V30.1Very low34.2Very low121 Ų121130 Ų13073%0.73364%0.642SS**  trans-117.6115.4163.9-173.60000107.6T427 S431T427-V429 PolarHBondContact O-N 2.89Å; V429-S431 PolarHBondContact O-N 3.48Å
430Y25.2Very low34.8Very low222 Ų222129.4 Ų129.487%0.87164%0.638SS**  trans-76.8102.8167.6-73.7-90.3000108.7V428V428-Y430 HydrophobicContact CG1-CD2 3.79Å; V428-Y430 HydrophobicContact CG1-CE2 3.56Å
431S29Very low35.7Very low95 Ų95123.7 Ų123.766%0.66462%0.619SS**  trans-156.4115.6151.262.90000109V429 D433V429-S431 PolarHBondContact O-N 3.48Å; S431-D433 PolarHBondContact O-N 3.2Å
432L25.5Very low36.9Very low177 Ų177126.2 Ų126.293%0.92763%0.631SS**SBendtrans-64.693.4169.3-80.7140.5000108.9
433D26.4Very low38.9Very low134 Ų134118.7 Ų118.772%0.71761%0.605SS**  trans-177.292.8145.7-90.3-21.6000105.7S431 F435S431-D433 PolarHBondContact O-N 3.2Å; D433-F435 VanDerWaalsContact C-N 3.25Å; D433-F435 PolarHBondContact O-N 3.02Å
434V28.4Very low41.2Very low128 Ų128113.7 Ų113.778%0.77659%0.589SS**  trans-66.692.8170.4-179.90000105.6Q436V434-Q436 HydrophobicContact CG1-CG 4.03Å; V434-Q436 PolarHBondContact O-N 2.91Å
435F27.9Very low43.7Very low182 Ų182112.3 Ų112.380%0.79857%0.569SS**  trans-5890.9164.1-93.2-96.9000106.9D433 D437D433-F435 VanDerWaalsContact C-N 3.25Å; D433-F435 PolarHBondContact O-N 3.02Å; F435-D437 PolarHBondContact O-N 3.31Å
436Q28.4Very low46.3Very low152 Ų152104.1 Ų104.171%0.7153%0.531SS*.  trans-65119.6-178-86175.2-40.500108.9V434V434-Q436 HydrophobicContact CG1-CG 4.03Å; V434-Q436 PolarHBondContact O-N 2.91Å
437D43.2Very low48.7Very low80 Ų80100.4 Ų100.443%0.42851%0.507SS..  trans70.195.2150.7-53.5-25.6000117.5F435F435-D437 PolarHBondContact O-N 3.31Å
438R56.1Low50.9Low97 Ų9798.2 Ų98.237%0.36649%0.49SS..  trans-55.9158.4179-65.5-177.3-111.8-171.4-5.4113.9K416 V419 M440K416-R438 WeakPolarHBondContact O-CD 3.2Å; K416-R438 PolarHBondContact O-NH1 2.86Å; V419-R438 PolarHBondContact O-NH1 3.47Å; R438-M440 PolarHBondContact O-N 3.15Å
439L67.8Low52.8Low11 Ų1195 Ų956%0.05847%0.467CS..SBendtrans-55.6-47.4-155.2-54.7176.3000115.9L368 V383 H387 M402 M417L368-L439 HydrophobicContact CD1-CD1 4.48Å; V383-L439 HydrophobicContact CG1-CD1 3.5Å; H387-L439 HydrophobicContact CB-CD2 3.44Å; H387-L439 VanDerWaalsContact CB-CD2 3.44Å; H387-L439 VanDerWaalsContact CG-CD2 3.41Å; H387-L439 WeakPolarHBondContact ND1-CD2 3.43Å; H387-L439 PolarHBondContact NE2-O 3.39Å; M402-L439 HydrophobicContact CE-CB 3.68Å; M402-L439 HydrophobicContact CE-CD1 4.15Å; M402-L439 HydrophobicContact CE-CG 4.44Å; M402-L439 HydrophobicContact SD-CB 3.75Å; M417-L439 HydrophobicContact CG-CD1 3.68Å; M417-L439 HydrophobicContact SD-CD1 4.31Å
440M70.5Confident54.4Low17 Ų1790.5 Ų90.58%0.08445%0.446CS..  trans-94.5148.3-170.5-53.8172.891.100113.3D45 V46 L47 M402 V404 A418 R438 P443D45-M440 HydrophobicContact CB-CB 4.19Å; D45-M440 HydrophobicContact CB-CE 4.06Å; D45-M440 WeakPolarHBondContact OD2-CA 3.49Å; V46-M440 WeakPolarHBondContact O-CE 3.33Å; L47-M440 HydrophobicContact CB-CE 4.14Å; L47-M440 HydrophobicContact CB-SD 4.43Å; L47-M440 HydrophobicContact CD1-SD 4.33Å; M402-M440 HydrophobicContact CB-CE 4.44Å; M402-M440 HydrophobicContact CB-CG 4.01Å; M402-M440 WeakPolarHBondContact O-CE 3.41Å; M402-M440 HydrophobicContact SD-CG 4.48Å; V404-M440 HydrophobicContact CB-CE 4.05Å; V404-M440 HydrophobicContact CB-SD 4.14Å; V404-M440 HydrophobicContact CG2-CE 3.77Å; V404-M440 HydrophobicContact CG2-CG 4.41Å; V404-M440 HydrophobicContact CG2-SD 3.63Å; A418-M440 HydrophobicContact CB-SD 3.7Å; A418-M440 WeakPolarHBondContact O-CB 3.47Å; R438-M440 PolarHBondContact O-N 3.15Å; M440-P443 HydrophobicContact CB-CB 4.02Å; M440-P443 HydrophobicContact CB-CG 3.92Å; M440-P443 HydrophobicContact CE-CB 3.68Å; M440-P443 HydrophobicContact SD-CB 3.87Å; M440-P443 HydrophobicContact SD-CG 4.1Å
441H63Low56.3Low56 Ų5687.9 Ų87.926%0.25944%0.441SS..SBendtrans-101.195.4179.8-171.492.5000111.1D45 R131 R399D45-H441 PolarHBondContact OD2-N 3.15Å; R131-H441 PolarHBondContact NH1-CD2 3.49Å; R131-H441 PolarHBondContact NH1-CE1 2.99Å; R131-H441 PolarHBondContact NH1-ND1 3.19Å; R131-H441 PolarHBondContact NH1-NE2 3.36Å; R131-H441 PolarHBondContact NH2-CD2 2.82Å; R131-H441 PolarHBondContact NH2-CE1 3.48Å; R131-H441 PolarHBondContact NH2-NE2 2.86Å; R399-H441 VanDerWaalsContact CZ-CB 3.4Å
442F59.6Low58.1Low142 Ų14284.2 Ų84.262%0.62341%0.414SS*.SBendtrans49.662.2-177.3-103.6-98.3000111.9Q444F442-Q444 PolarHBondContact O-N 3.16Å
443P72.1Confident60.3Low17 Ų1779 Ų7911%0.1139%0.393CS..PPolyproline II helixtrans-65.7138.6-177.228.4-33.2000110.8D45 L47 V419 M440D45-P443 HydrophobicContact CB-CB 4.14Å; D45-P443 CarbonylContact O-C 3.54Å; D45-P443 VanDerWaalsContact O-CA 3.24Å; D45-P443 WeakPolarHBondContact O-CA 3.31Å; L47-P443 HydrophobicContact CB-CB 4.19Å; V419-P443 HydrophobicContact CG2-CG 3.28Å; M440-P443 HydrophobicContact CB-CB 4.02Å; M440-P443 HydrophobicContact CB-CG 3.92Å; M440-P443 HydrophobicContact CE-CB 3.68Å; M440-P443 HydrophobicContact SD-CB 3.87Å; M440-P443 HydrophobicContact SD-CG 4.1Å
444Q75.8Confident62.9Low83 Ų8374.2 Ų74.239%0.38837%0.368SS..EExtended strand (participates in β ladder)trans-79.6132169.1-68.2170.5-17.100108.6L39 D45 L47 F442L39-Q444 HydrophobicContact CD1-CB 4.04Å; D45-Q444 PolarHBondContact O-N 3.34Å; L47-Q444 PolarHBondContact N-O 3.32Å; F442-Q444 PolarHBondContact O-N 3.16Å
445W79.3Confident65.1Low100 Ų10069.8 Ų69.838%0.37934%0.342SS..EExtended strand (participates in β ladder)trans-94.4123.9-175.5-68.460.9000109L47 L409 K415 V419 Y421L47-W445 HydrophobicContact CD2-CD2 4.02Å; L47-W445 HydrophobicContact CD2-CE3 4.2Å; L47-W445 HydrophobicContact CD2-CH2 3.87Å; L47-W445 HydrophobicContact CD2-CZ2 3.73Å; L47-W445 HydrophobicContact CD2-CZ3 4.12Å; L409-W445 HydrophobicContact CD1-CZ3 4.35Å; L409-W445 HydrophobicContact CD2-CD2 4.23Å; L409-W445 HydrophobicContact CD2-CE3 3.26Å; L409-W445 HydrophobicContact CD2-CH2 4.46Å; L409-W445 HydrophobicContact CD2-CZ3 3.39Å; L409-W445 HydrophobicContact CG-CE3 4.06Å; L409-W445 HydrophobicContact CG-CH2 4.47Å; L409-W445 HydrophobicContact CG-CZ3 3.64Å; K415-W445 HydrophobicContact CD-CH2 4.46Å; K415-W445 HydrophobicContact CG-CH2 4.07Å; V419-W445 HydrophobicContact CB-CZ2 4.19Å; V419-W445 HydrophobicContact CG1-CZ2 4.49Å; V419-W445 HydrophobicContact CG2-CZ2 3.71Å; Y421-W445 HydrophobicContact CE2-CH2 4.09Å; Y421-W445 HydrophobicContact CE2-CZ2 4.39Å
446V80Confident67.3Low6 Ų669.1 Ų69.14%0.03634%0.341CS..EExtended strand (participates in β ladder)trans-113.889.4167.8-1790000106.4V32 E35 A36 L39 V46 L47 M48 A49 L448V32-V446 HydrophobicContact CG2-CG1 4.24Å; E35-V446 HydrophobicContact CB-CG1 3.62Å; E35-V446 HydrophobicContact CB-CG2 4.05Å; E35-V446 HydrophobicContact CG-CG1 4.36Å; A36-V446 HydrophobicContact CB-CG2 4.28Å; L39-V446 HydrophobicContact CD1-CG2 3.64Å; V46-V446 HydrophobicContact CG1-CG2 4.09Å; L47-V446 PolarHBondContact O-N 2.81Å; M48-V446 CarbonylContact C-O 3.59Å; M48-V446 WeakPolarHBondContact CA-O 3.37Å; M48-V446 HydrophobicContact CG-CB 4.15Å; A49-V446 PolarHBondContact N-O 3.31Å; V446-L448 HydrophobicContact CG1-CD1 4.47Å; V446-L448 HydrophobicContact CG1-CG 4.29Å
447D78.2Confident69.7Low57 Ų5763.3 Ų63.331%0.30532%0.316SS..EExtended strand (participates in β ladder)trans-108.699.9-179.3-174.91.5000109.8A49 L409 H410 K449 G450A49-D447 HydrophobicContact CB-CB 4.29Å; A49-D447 WeakPolarHBondContact CB-OD1 3.48Å; L409-D447 HydrophobicContact CD2-CB 4.43Å; H410-D447 IonicContact CE1-OD2 2.77Å; H410-D447 PolarHBondContact CE1-OD2 2.78Å; H410-D447 IonicContact NE2-OD1 3.69Å; H410-D447 IonicContact NE2-OD2 3.38Å; H410-D447 PolarHBondContact NE2-OD2 3.11Å; D447-K449 PolarHBondContact OD1-N 3.38Å; D447-G450 PolarHBondContact OD1-N 3.18Å
448L74.9Confident71.7Confident79 Ų7960 Ų6041%0.41430%0.299SS..SBendtrans-99-8.8178.4-62.4174.2000112.6D31 V32 A49 V446D31-L448 HydrophobicContact CB-CD1 3.73Å; D31-L448 HydrophobicContact CB-CD2 4.17Å; V32-L448 VanDerWaalsContact CA-CD1 3.42Å; V32-L448 HydrophobicContact CB-CD1 3.54Å; V32-L448 HydrophobicContact CG2-CD1 4.14Å; A49-L448 PolarHBondContact O-N 2.94Å; V446-L448 HydrophobicContact CG1-CD1 4.47Å; V446-L448 HydrophobicContact CG1-CG 4.29Å
449K66.6Low73.3Confident39 Ų3955.8 Ų55.817%0.1728%0.283CS..SBendtrans-90-36.3-177.1-163-175.9-178.8-163.90111.1E51 A407 D447 D452E51-K449 HydrophobicContact CG-CG 4.4Å; A407-K449 WeakPolarHBondContact O-CD 3.42Å; A407-K449 WeakPolarHBondContact O-CE 3.42Å; A407-K449 PolarHBondContact O-NZ 2.97Å; D447-K449 PolarHBondContact OD1-N 3.38Å; K449-D452 IonicContact NZ-OD1 2.81Å; K449-D452 PolarHBondContact NZ-OD1 2.87Å
450G65Low74.5Confident27 Ų2756.5 Ų56.528%0.27829%0.286SS..  trans59.3-153.6-166.700000110.8H410 D447H410-G450 VanDerWaalsContact CD2-C 3.46Å; H410-G450 PolarHBondContact CD2-O 3.01Å; H410-G450 WeakPolarHBondContact NE2-CA 3.45Å; H410-G450 PolarHBondContact NE2-O 3.44Å; D447-G450 PolarHBondContact OD1-N 3.18Å
451Q63.9Low75.7Confident166 Ų16655.7 Ų55.778%0.77628%0.282SS*.SBendtrans-59.6144.6-179.5-67.5-174.23.600111.7S453Q451-S453 PolarHBondContact O-N 2.83Å
452D68.3Low77.4Confident19 Ų1953 Ų5310%0.10227%0.27CS..  trans-58.4108.5178.2-82.4-26.8000111K449 L610 H675K449-D452 IonicContact NZ-OD1 2.81Å; K449-D452 PolarHBondContact NZ-OD1 2.87Å; D452-L610 HydrophobicContact CB-CD1 3.55Å; D452-H675 VanDerWaalsContact CB-NE2 3.31Å; D452-H675 WeakPolarHBondContact CB-NE2 3.35Å; D452-H675 IonicContact OD2-CE1 3.94Å; D452-H675 PolarHBondContact OD2-CE1 3.43Å; D452-H675 IonicContact OD2-NE2 2.74Å; D452-H675 PolarHBondContact OD2-NE2 3.22Å
453S71.9Confident79.2Confident68 Ų6846.2 Ų46.248%0.47624%0.24SC..  trans-123.3157.3176.463.30000111.3Q451Q451-S453 PolarHBondContact O-N 2.83Å
454V80.3Confident80.4Confident33 Ų3347.7 Ų47.720%0.225%0.246CC..  trans-79127.9168.6-177.30000107.9E456 V458 L610 I613 L676V454-E456 PolarHBondContact O-N 3.47Å; V454-V458 HydrophobicContact CG1-CB 3.9Å; V454-V458 HydrophobicContact CG1-CG1 4.04Å; V454-L610 HydrophobicContact CG2-CD2 3.88Å; V454-I613 HydrophobicContact CB-CD1 4.44Å; V454-I613 HydrophobicContact CG1-CD1 3.75Å; V454-I613 HydrophobicContact CG2-CD1 3.9Å; V454-L676 HydrophobicContact CG2-CD1 3.99Å; V454-L676 HydrophobicContact CG2-CD2 3.79Å; V454-L676 HydrophobicContact CG2-CG 4.5Å
455P74.6Confident81.5Confident34 Ų3443.7 Ų43.722%0.22123%0.228CC..  trans-59.1138.5175.6-2232000110.9T457 V458P455-T457 PolarHBondContact O-N 3Å; P455-V458 HydrophobicContact CB-CG2 4.11Å; P455-V458 HydrophobicContact CG-CG2 4.25Å; P455-V458 WeakPolarHBondContact O-CB 3.43Å; P455-V458 PolarHBondContact O-N 3.23Å
456E75.1Confident82.3Confident169 Ų16939.9 Ų39.979%0.7921%0.214SC*.THydrogen-bonded Turntrans-57.6-22.3-179.8-63.3179.4174.600113.5V454 V458V454-E456 PolarHBondContact O-N 3.47Å; E456-V458 PolarHBondContact O-N 3.31Å
457T77.3Confident83.1Confident30 Ų3039.6 Ų39.618%0.18421%0.213CC..THydrogen-bonded Turntrans-81.12.6177.463.40000113.8P455 G617 R618 M622 G623P455-T457 PolarHBondContact O-N 3Å; T457-G617 WeakPolarHBondContact O-CA 3.43Å; T457-R618 VanDerWaalsContact CG2-O 3.31Å; T457-R618 WeakPolarHBondContact CG2-O 3.44Å; T457-R618 PolarHBondContact OG1-N 3.39Å; T457-M622 WeakPolarHBondContact O-CA 3.48Å; T457-G623 PolarHBondContact O-N 3.37Å
458V86Confident83.9Confident10 Ų1042.2 Ų42.26%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-112.9107.9179.6179.20000109.2V454 P455 E456 H460 I613 V616V454-V458 HydrophobicContact CG1-CB 3.9Å; V454-V458 HydrophobicContact CG1-CG1 4.04Å; P455-V458 HydrophobicContact CB-CG2 4.11Å; P455-V458 HydrophobicContact CG-CG2 4.25Å; P455-V458 WeakPolarHBondContact O-CB 3.43Å; P455-V458 PolarHBondContact O-N 3.23Å; E456-V458 PolarHBondContact O-N 3.31Å; V458-H460 HydrophobicContact CG1-CB 4.45Å; V458-I613 HydrophobicContact CG1-CB 4.16Å; V458-I613 HydrophobicContact CG1-CD1 4.19Å; V458-I613 HydrophobicContact CG1-CG1 4.32Å; V458-V616 HydrophobicContact CG1-CG2 4.02Å; V458-V616 HydrophobicContact CG2-CG2 4.31Å; V458-V616 VanDerWaalsContact CG2-O 3.26Å; V458-V616 WeakPolarHBondContact CG2-O 3.31Å
459H89.1Confident84.9Confident9 Ų945 Ų454%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-84127.9164.1-177.4-160000108.6M622 G623 L624 A625 Q681 V689 P690 D692 Y700H459-M622 HydrophobicContact CB-CE 4.23Å; H459-G623 PolarHBondContact N-O 3.23Å; H459-L624 HydrophobicContact CB-CD1 4.4Å; H459-L624 CarbonylContact O-C 3.55Å; H459-L624 VanDerWaalsContact O-CA 3.29Å; H459-L624 WeakPolarHBondContact O-CA 3.48Å; H459-A625 PolarHBondContact O-N 3.44Å; H459-Q681 PolarHBondContact NE2-OE1 3.03Å; H459-V689 VanDerWaalsContact CE1-CG1 3.4Å; H459-V689 WeakPolarHBondContact CE1-CG1 3.37Å; H459-P690 PolarHBondContact CE1-O 2.98Å; H459-D692 IonicContact CD2-OD2 2.83Å; H459-D692 IonicContact CG-OD2 2.78Å; H459-Y700 HydrophobicContact CB-CE1 4.2Å; H459-Y700 AromaticContact ND1-CZ 3.85Å; H459-Y700 PolarHBondContact ND1-OH 2.88Å
460H93.9Very high86.2Confident25 Ų2544 Ų4412%0.11623%0.23CC..EExtended strand (participates in β ladder)trans-132.9137.6-178.969.3155.9000112.1V458 Y609 I613 A625V458-H460 HydrophobicContact CG1-CB 4.45Å; H460-Y609 AromaticContact ND1-CE1 3.74Å; H460-Y609 AromaticContact ND1-CZ 3.81Å; H460-Y609 PolarHBondContact ND1-OH 2.89Å; H460-I613 HydrophobicContact CB-CD1 4.34Å; H460-A625 CarbonylContact C-O 3.56Å; H460-A625 VanDerWaalsContact CA-O 3.28Å; H460-A625 WeakPolarHBondContact CA-O 3.36Å; H460-A625 HydrophobicContact CB-CB 4.01Å
461V95.5Very high87.6Confident0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-136.1156.3-176.6-60.10000111.6L624 A625 I626 S627 Q681 V683 V689V461-L624 HydrophobicContact CG2-CD1 4.4Å; V461-A625 PolarHBondContact N-O 3.34Å; V461-I626 HydrophobicContact CG2-CB 4.35Å; V461-I626 HydrophobicContact CG2-CG1 3.93Å; V461-I626 HydrophobicContact CG2-CG2 4.37Å; V461-S627 PolarHBondContact O-N 3.27Å; V461-Q681 CarbonylContact C-O 3.54Å; V461-Q681 VanDerWaalsContact CA-O 3.3Å; V461-Q681 WeakPolarHBondContact CA-O 3.34Å; V461-Q681 HydrophobicContact CG1-CB 4.32Å; V461-V683 HydrophobicContact CB-CG2 3.89Å; V461-V683 HydrophobicContact CG1-CG2 3.94Å; V461-V683 HydrophobicContact CG2-CG2 4.25Å; V461-V689 HydrophobicContact CG1-CG1 3.95Å; V461-V689 HydrophobicContact CG2-CG1 4.47Å; V461-V689 HydrophobicContact CG2-CG2 3.92Å
462V97.4Very high89Confident0 Ų043.2 Ų43.20%021%0.214CC..EExtended strand (participates in β ladder)trans-111.7136.1174.1164.80000109.8M464 S627 V629 L669 I680 Q681 Q682 V683V462-M464 HydrophobicContact CG1-SD 3.89Å; V462-S627 CarbonylContact C-O 2.74Å; V462-S627 WeakPolarHBondContact CA-O 3.27Å; V462-V629 HydrophobicContact CG1-CB 4.01Å; V462-V629 HydrophobicContact CG1-CG2 3.63Å; V462-V629 HydrophobicContact CG2-CG2 4.26Å; V462-L669 HydrophobicContact CG1-CD2 4.02Å; V462-L669 HydrophobicContact CG2-CD1 3.73Å; V462-L669 HydrophobicContact CG2-CD2 4.36Å; V462-I680 HydrophobicContact CB-CG2 4.45Å; V462-I680 HydrophobicContact CG2-CB 4.06Å; V462-I680 HydrophobicContact CG2-CD1 4.43Å; V462-I680 HydrophobicContact CG2-CG2 3.75Å; V462-Q681 PolarHBondContact N-O 3.41Å; V462-Q682 HydrophobicContact CB-CG 4.28Å; V462-Q682 HydrophobicContact CG1-CG 4.26Å; V462-Q682 CarbonylContact O-C 3.58Å; V462-Q682 VanDerWaalsContact O-CA 3.3Å; V462-Q682 WeakPolarHBondContact O-CA 3.42Å; V462-V683 PolarHBondContact O-N 3Å
463V97.9Very high90.2Very high0 Ų042.5 Ų42.50%021%0.21CC..EExtended strand (participates in β ladder)trans-117117.1169.6-175.70000108.2V465 Y512 I626 S627 L628 V629 V683 I687V463-V465 PolarHBondContact O-N 2.99Å; V463-Y512 HydrophobicContact CG1-CD1 3.63Å; V463-Y512 HydrophobicContact CG1-CE1 3.66Å; V463-I626 HydrophobicContact CG2-CG2 3.99Å; V463-S627 PolarHBondContact N-O 3.11Å; V463-L628 HydrophobicContact CB-CD2 4.04Å; V463-V629 PolarHBondContact O-N 3.47Å; V463-V683 HydrophobicContact CG2-CB 4.38Å; V463-I687 HydrophobicContact CG1-CD1 4.28Å; V463-I687 HydrophobicContact CG1-CG1 4.03Å; V463-I687 HydrophobicContact CG2-CD1 4.39Å; V463-I687 HydrophobicContact CG2-CG1 4.09Å; V463-I687 HydrophobicContact CG2-CG2 3.99Å
464M97.8Very high91.3Very high47 Ų4741.9 Ų41.923%0.23220%0.2CC..EExtended strand (participates in β ladder)trans-74.9122.7177.4-64.5-56.4-57.200110.5V462 V629 A631 L669V462-M464 HydrophobicContact CG1-SD 3.89Å; M464-V629 CarbonylContact C-O 3.59Å; M464-V629 WeakPolarHBondContact CA-O 3.41Å; M464-V629 HydrophobicContact CE-CB 4.33Å; M464-V629 HydrophobicContact CE-CG1 3.91Å; M464-V629 HydrophobicContact SD-CB 3.83Å; M464-V629 HydrophobicContact SD-CG1 3.85Å; M464-A631 HydrophobicContact CE-CB 3.82Å; M464-L669 HydrophobicContact SD-CD2 4.5Å
465V98.1Very high91.8Very high0 Ų046.8 Ų46.80%023%0.226CC..EExtended strand (participates in β ladder)trans-97.1101.2174.2-174.40000108.2V463 V505 L508 K509 Y512 L628 V629 A631V463-V465 PolarHBondContact O-N 2.99Å; V465-V505 HydrophobicContact CG1-CG1 4.22Å; V465-L508 HydrophobicContact CG1-CB 3.6Å; V465-L508 HydrophobicContact CG1-CD1 4.03Å; V465-L508 HydrophobicContact CG1-CG 4.5Å; V465-K509 HydrophobicContact CG1-CG 4.5Å; V465-K509 HydrophobicContact CG2-CG 4.3Å; V465-Y512 HydrophobicContact CG1-CE2 4.35Å; V465-Y512 HydrophobicContact CG2-CD1 3.82Å; V465-Y512 HydrophobicContact CG2-CE1 4.09Å; V465-Y512 HydrophobicContact CG2-CG 4.07Å; V465-L628 HydrophobicContact CG2-CB 4.11Å; V465-V629 PolarHBondContact N-O 2.66Å; V465-A631 PolarHBondContact O-N 3.1Å
466D97.3Very high92.4Very high19 Ų1947.2 Ų47.210%0.10223%0.226CC..  trans-115.2103.4179.3-164.9-22.3000111.7R468 N469 D470 A631D466-R468 PolarHBondContact O-N 2.84Å; D466-R468 VanDerWaalsContact O-N 3.1Å; D466-R468 WeakPolarHBondContact OD1-CA 3.38Å; D466-R468 WeakPolarHBondContact OD1-CB 3.45Å; D466-R468 WeakPolarHBondContact OD1-CG 3.37Å; D466-R468 IonicContact OD1-CZ 3.26Å; D466-R468 PolarHBondContact OD1-N 2.83Å; D466-R468 IonicContact OD1-NE 3.78Å; D466-R468 PolarHBondContact OD1-NE 3.37Å; D466-R468 IonicContact OD1-NH2 3.16Å; D466-R468 IonicContact OD2-CZ 2.81Å; D466-R468 IonicContact OD2-NE 3.67Å; D466-R468 PolarHBondContact OD2-NE 3.27Å; D466-R468 IonicContact OD2-NH2 3.57Å; D466-R468 PolarHBondContact OD2-NH2 3.26Å; D466-N469 HydrophobicContact CB-CB 4.34Å; D466-N469 PolarHBondContact O-N 3.26Å; D466-N469 VanDerWaalsContact O-N 3.08Å; D466-N469 PolarHBondContact OD2-ND2 2.89Å; D466-D470 PolarHBondContact O-N 3.38Å; D466-A631 HydrophobicContact CB-CB 3.62Å
467P96.4Very high93Very high0 Ų051.4 Ų51.40%023%0.234CC..THydrogen-bonded Turntrans-67.2-8.8178.232.3-41.1000113.9K471 W473 L501 A504 V505 L508 V632P467-K471 WeakPolarHBondContact O-CD 3.43Å; P467-K471 PolarHBondContact O-NZ 3.11Å; P467-W473 PolarHBondContact O-NE1 3.39Å; P467-W473 VanDerWaalsContact O-NE1 3.12Å; P467-L501 HydrophobicContact CB-CD2 4.21Å; P467-L501 HydrophobicContact CG-CB 4.09Å; P467-L501 HydrophobicContact CG-CD2 3.87Å; P467-A504 HydrophobicContact CB-CB 3.49Å; P467-A504 VanDerWaalsContact CB-CB 3.49Å; P467-A504 HydrophobicContact CG-CB 4.32Å; P467-V505 HydrophobicContact CB-CG2 4.49Å; P467-V505 HydrophobicContact CG-CG2 3.73Å; P467-L508 HydrophobicContact CB-CD1 3.95Å; P467-V632 HydrophobicContact CG-CG2 3.87Å
468R95.4Very high93.6Very high113 Ų11353 Ų5343%0.42625%0.246SC..THydrogen-bonded Turntrans-77.6-36172.5-57.9168.9-66.4-163.4-2.5111D466 K471 L501 A631D466-R468 PolarHBondContact O-N 2.84Å; D466-R468 VanDerWaalsContact O-N 3.1Å; D466-R468 WeakPolarHBondContact OD1-CA 3.38Å; D466-R468 WeakPolarHBondContact OD1-CB 3.45Å; D466-R468 WeakPolarHBondContact OD1-CG 3.37Å; D466-R468 IonicContact OD1-CZ 3.26Å; D466-R468 PolarHBondContact OD1-N 2.83Å; D466-R468 IonicContact OD1-NE 3.78Å; D466-R468 PolarHBondContact OD1-NE 3.37Å; D466-R468 IonicContact OD1-NH2 3.16Å; D466-R468 IonicContact OD2-CZ 2.81Å; D466-R468 IonicContact OD2-NE 3.67Å; D466-R468 PolarHBondContact OD2-NE 3.27Å; D466-R468 IonicContact OD2-NH2 3.57Å; D466-R468 PolarHBondContact OD2-NH2 3.26Å; R468-K471 WeakPolarHBondContact O-CE 3.46Å; R468-K471 PolarHBondContact O-NZ 3.38Å; R468-L501 HydrophobicContact CG-CD1 4.23Å; R468-L501 HydrophobicContact CG-CD2 4.06Å; R468-A631 PolarHBondContact NH2-O 2.95Å
469N94.5Very high94Very high136 Ų13654.9 Ų54.973%0.72725%0.254SS*.THydrogen-bonded Turntrans-94.5-42.1-179.1-61.6-25.5000111.5D466 K471D466-N469 HydrophobicContact CB-CB 4.34Å; D466-N469 PolarHBondContact O-N 3.26Å; D466-N469 VanDerWaalsContact O-N 3.08Å; D466-N469 PolarHBondContact OD2-ND2 2.89Å; N469-K471 PolarHBondContact O-N 3.02Å
470D95Very high94.3Very high19 Ų1955 Ų5510%0.10226%0.255CS..  trans-9099.8176.2-169.8-20.3000110.2D466 R472 W473 L508 Y512D466-D470 PolarHBondContact O-N 3.38Å; D470-R472 VanDerWaalsContact C-N 3.34Å; D470-R472 WeakPolarHBondContact OD1-CB 3.22Å; D470-R472 WeakPolarHBondContact OD1-CG 3.28Å; D470-R472 IonicContact OD1-CZ 3.7Å; D470-R472 PolarHBondContact OD1-N 3.17Å; D470-R472 IonicContact OD1-NE 3.57Å; D470-R472 PolarHBondContact OD1-NE 2.71Å; D470-R472 IonicContact OD2-CZ 3.38Å; D470-R472 VanDerWaalsContact OD2-CZ 3.24Å; D470-R472 IonicContact OD2-NE 3.42Å; D470-R472 PolarHBondContact OD2-NE 2.87Å; D470-R472 IonicContact OD2-NH2 3.34Å; D470-R472 PolarHBondContact OD2-NH2 3.43Å; D470-W473 PolarHBondContact O-NE1 3.46Å; D470-L508 HydrophobicContact CB-CD1 4.05Å; D470-L508 HydrophobicContact CB-CD2 4.46Å; D470-Y512 WeakPolarHBondContact OD2-CE2 3.42Å; D470-Y512 PolarHBondContact OD2-OH 2.98Å
471K94.2Very high94.5Very high78 Ų7861.1 Ų61.134%0.33928%0.277SS..  trans-89.47.4-180-62.4-50-164.3-174.20114.1P467 R468 N469 W473 I474P467-K471 WeakPolarHBondContact O-CD 3.43Å; P467-K471 PolarHBondContact O-NZ 3.11Å; R468-K471 WeakPolarHBondContact O-CE 3.46Å; R468-K471 PolarHBondContact O-NZ 3.38Å; N469-K471 PolarHBondContact O-N 3.02Å; K471-W473 PolarHBondContact O-N 2.83Å; K471-I474 HydrophobicContact CB-CD1 4.08Å; K471-I474 HydrophobicContact CD-CD1 3.95Å; K471-I474 HydrophobicContact CG-CD1 4.38Å; K471-I474 WeakPolarHBondContact O-CB 3.28Å; K471-I474 PolarHBondContact O-N 3.41Å
472R93.8Very high94.5Very high99 Ų9962.3 Ų62.337%0.37429%0.285SS..G310 helixtrans-55.7-38.9-179.5-70.5-179.2-71.5177.4-4.4111.9D470 I474 N475 L476 L508 Y512D470-R472 VanDerWaalsContact C-N 3.34Å; D470-R472 WeakPolarHBondContact OD1-CB 3.22Å; D470-R472 WeakPolarHBondContact OD1-CG 3.28Å; D470-R472 IonicContact OD1-CZ 3.7Å; D470-R472 PolarHBondContact OD1-N 3.17Å; D470-R472 IonicContact OD1-NE 3.57Å; D470-R472 PolarHBondContact OD1-NE 2.71Å; D470-R472 IonicContact OD2-CZ 3.38Å; D470-R472 VanDerWaalsContact OD2-CZ 3.24Å; D470-R472 IonicContact OD2-NE 3.42Å; D470-R472 PolarHBondContact OD2-NE 2.87Å; D470-R472 IonicContact OD2-NH2 3.34Å; D470-R472 PolarHBondContact OD2-NH2 3.43Å; R472-I474 PolarHBondContact O-N 2.88Å; R472-I474 VanDerWaalsContact O-N 3.07Å; R472-N475 PolarHBondContact O-N 2.9Å; R472-L476 WeakPolarHBondContact O-CG 3.21Å; R472-L476 PolarHBondContact O-N 3.28Å; R472-L508 HydrophobicContact CB-CD2 4.42Å; R472-Y512 VanDerWaalsContact NH2-CE2 3.26Å
473W93.4Very high94.3Very high4 Ų462.9 Ų62.92%0.01529%0.288CS..G310 helixtrans-57.3-23.9-178.170-91.1000115P467 D470 K471 N475 L476 P493 G494 T500 A504 L508P467-W473 PolarHBondContact O-NE1 3.39Å; P467-W473 VanDerWaalsContact O-NE1 3.12Å; D470-W473 PolarHBondContact O-NE1 3.46Å; K471-W473 PolarHBondContact O-N 2.83Å; W473-N475 VanDerWaalsContact C-N 3.31Å; W473-L476 HydrophobicContact CB-CD1 4.4Å; W473-P493 HydrophobicContact CZ3-CB 4.23Å; W473-G494 VanDerWaalsContact CH2-N 3.32Å; W473-T500 HydrophobicContact CH2-CG2 3.43Å; W473-T500 VanDerWaalsContact CH2-CG2 3.43Å; W473-T500 HydrophobicContact CZ2-CG2 4.31Å; W473-T500 HydrophobicContact CZ3-CG2 4.08Å; W473-A504 HydrophobicContact CD2-CB 3.3Å; W473-A504 HydrophobicContact CE3-CB 3.62Å; W473-A504 HydrophobicContact CG-CB 3.72Å; W473-A504 HydrophobicContact CH2-CB 4.03Å; W473-A504 HydrophobicContact CZ2-CB 3.75Å; W473-A504 HydrophobicContact CZ3-CB 3.95Å; W473-L508 HydrophobicContact CB-CD2 3.88Å; W473-L508 HydrophobicContact CB-CG 3.95Å; W473-L508 HydrophobicContact CG-CG 4.39Å
474I93.7Very high94.2Very high54 Ų5464.6 Ų64.628%0.27731%0.306SS..G310 helixtrans-66.3-37178.1-60.6178.4000110.8K471 R472 P493K471-I474 HydrophobicContact CB-CD1 4.08Å; K471-I474 HydrophobicContact CD-CD1 3.95Å; K471-I474 HydrophobicContact CG-CD1 4.38Å; K471-I474 WeakPolarHBondContact O-CB 3.28Å; K471-I474 PolarHBondContact O-N 3.41Å; R472-I474 PolarHBondContact O-N 2.88Å; R472-I474 VanDerWaalsContact O-N 3.07Å; I474-P493 HydrophobicContact CG2-CB 3.94Å
475N90.9Very high94.1Very high137 Ų13762.5 Ų62.573%0.73330%0.295SS*.SBendtrans-115.113-171.6-64-45.8000113.3R472 W473 R477R472-N475 PolarHBondContact O-N 2.9Å; W473-N475 VanDerWaalsContact C-N 3.31Å; N475-R477 PolarHBondContact O-N 3.46Å; N475-R477 VanDerWaalsContact O-N 3.07Å
476L88.7Confident94.1Very high43 Ų4362.9 Ų62.923%0.22530%0.297CS..  trans-65110.1176.5-74.8176.7000110R472 W473 S478 H479 E511R472-L476 WeakPolarHBondContact O-CG 3.21Å; R472-L476 PolarHBondContact O-N 3.28Å; W473-L476 HydrophobicContact CB-CD1 4.4Å; L476-S478 PolarHBondContact O-N 3.41Å; L476-H479 HydrophobicContact CB-CB 4.23Å; L476-H479 HydrophobicContact CD1-CB 3.93Å; L476-E511 HydrophobicContact CD1-CG 3.74Å; L476-E511 HydrophobicContact CD2-CG 4.12Å
477R86.1Confident93.9Very high257 Ų25766.5 Ų66.597%0.9733%0.33SS*.SBendtrans-67-27.7175-65.9-175.8-179179.40.3113N475N475-R477 PolarHBondContact O-N 3.46Å; N475-R477 VanDerWaalsContact O-N 3.07Å
478S91.2Very high93.8Very high62 Ų6270.3 Ų70.343%0.43437%0.369SS..SBendtrans-142.8135.1177-176.80000107L476L476-S478 PolarHBondContact O-N 3.41Å
479H93.6Very high93.8Very high50 Ų5067.1 Ų67.123%0.23136%0.36CS..  trans-146.7168.7179.259.280.6000109.9L476 R507 W541 R544L476-H479 HydrophobicContact CB-CB 4.23Å; L476-H479 HydrophobicContact CD1-CB 3.93Å; H479-R507 HydrophobicContact CB-CB 4.46Å; H479-W541 VanDerWaalsContact C-CE3 3.46Å; H479-W541 VanDerWaalsContact CA-CH2 3.4Å; H479-W541 VanDerWaalsContact CA-CZ3 3.49Å; H479-W541 VanDerWaalsContact O-CZ3 3.3Å; H479-W541 WeakPolarHBondContact O-CZ3 3.42Å; H479-R544 PolarHBondContact O-NH2 2.62Å
480I96.6Very high93.7Very high11 Ų1167.5 Ų67.56%0.05636%0.358CS..PPolyproline II helixtrans-58.2143171.6-174.1158.8000110.5K506 N537 M538 W541I480-K506 WeakPolarHBondContact CG2-O 3.27Å; I480-N537 HydrophobicContact CD1-CB 4.44Å; I480-N537 HydrophobicContact CG1-CB 4.24Å; I480-M538 HydrophobicContact CD1-CB 4.24Å; I480-M538 HydrophobicContact CD1-CE 3.97Å; I480-M538 HydrophobicContact CD1-SD 3.85Å; I480-W541 HydrophobicContact CB-CB 4.05Å; I480-W541 HydrophobicContact CB-CD2 3.92Å; I480-W541 HydrophobicContact CB-CE3 4.46Å; I480-W541 HydrophobicContact CB-CG 3.72Å; I480-W541 HydrophobicContact CD1-CB 3.93Å; I480-W541 HydrophobicContact CD1-CG 4.12Å; I480-W541 HydrophobicContact CG1-CB 3.79Å; I480-W541 HydrophobicContact CG1-CG 3.99Å
481R96.6Very high93.7Very high154 Ų15468.7 Ų68.758%0.58136%0.364SS*.PPolyproline II helixtrans-66.8133.9170.2-178.1177.3-179.8-178.9-0.8109N537R481-N537 WeakPolarHBondContact CD-OD1 3.49Å; R481-N537 VanDerWaalsContact O-CB 3.28Å; R481-N537 WeakPolarHBondContact O-CB 3.24Å; R481-N537 PolarHBondContact O-ND2 3.16Å; R481-N537 VanDerWaalsContact O-ND2 3.16Å
482T95.7Very high93.6Very high25 Ų2572.4 Ų72.415%0.15338%0.376CS..PPolyproline II helixtrans-90.9171176.663.90000111.3G484 E503 K506 R507 N537T482-G484 PolarHBondContact O-N 3.45Å; T482-G484 VanDerWaalsContact O-N 3.12Å; T482-E503 WeakPolarHBondContact CG2-OE1 3.46Å; T482-E503 PolarHBondContact OG1-OE1 3.2Å; T482-E503 PolarHBondContact OG1-OE2 3.12Å; T482-K506 HydrophobicContact CG2-CB 3.62Å; T482-K506 HydrophobicContact CG2-CD 4.37Å; T482-R507 HydrophobicContact CG2-CG 3.96Å; T482-N537 PolarHBondContact O-ND2 2.97Å
483D94.4Very high93.3Very high12 Ų1271.6 Ų71.66%0.06438%0.383CS..  trans-70-0.5-177.867.9-5.5000114.7I485 K506 L533 W637D483-I485 PolarHBondContact O-N 3.19Å; D483-I485 VanDerWaalsContact OD1-CG2 3.25Å; D483-I485 WeakPolarHBondContact OD1-CG2 3.36Å; D483-I485 PolarHBondContact OD1-N 3.02Å; D483-I485 VanDerWaalsContact OD1-N 3.16Å; D483-K506 VanDerWaalsContact OD1-CE 3.26Å; D483-K506 WeakPolarHBondContact OD1-CE 3.36Å; D483-K506 WeakPolarHBondContact OD2-CE 3.41Å; D483-L533 HydrophobicContact CB-CD2 3.89Å; D483-W637 PolarHBondContact O-NE1 2.79Å
484G95.3Very high92.9Very high37 Ų3773.3 Ų73.338%0.38140%0.402SS..SBendtrans70.29.3176.900000114.9T482 H486 A487T482-G484 PolarHBondContact O-N 3.45Å; T482-G484 VanDerWaalsContact O-N 3.12Å; G484-H486 PolarHBondContact O-N 3.13Å; G484-A487 VanDerWaalsContact O-CB 3.29Å; G484-A487 WeakPolarHBondContact O-CB 3.43Å; G484-A487 PolarHBondContact O-N 3.27Å; G484-A487 VanDerWaalsContact O-N 3.13Å
485I96.5Very high92.9Very high2 Ų272.4 Ų72.41%0.0140%0.4CS..THydrogen-bonded Turntrans-63.2-27.3-178.7-162.9162.8000113.1D483 K635 V636 W637 A651 A660D483-I485 PolarHBondContact O-N 3.19Å; D483-I485 VanDerWaalsContact OD1-CG2 3.25Å; D483-I485 WeakPolarHBondContact OD1-CG2 3.36Å; D483-I485 PolarHBondContact OD1-N 3.02Å; D483-I485 VanDerWaalsContact OD1-N 3.16Å; I485-K635 HydrophobicContact CD1-CG 4.09Å; I485-K635 HydrophobicContact CG1-CG 4.45Å; I485-K635 WeakPolarHBondContact CG2-O 3.36Å; I485-V636 WeakPolarHBondContact CD1-O 3.28Å; I485-W637 HydrophobicContact CB-CD2 4.34Å; I485-W637 HydrophobicContact CB-CZ2 4.01Å; I485-W637 HydrophobicContact CD1-CD2 3.78Å; I485-W637 HydrophobicContact CD1-CE3 4.13Å; I485-W637 HydrophobicContact CD1-CG 3.96Å; I485-W637 HydrophobicContact CG1-CD2 3.98Å; I485-W637 HydrophobicContact CG1-CE3 4.35Å; I485-W637 HydrophobicContact CG1-CG 4.49Å; I485-W637 HydrophobicContact CG1-CH2 4.26Å; I485-W637 HydrophobicContact CG1-CZ2 3.88Å; I485-W637 HydrophobicContact CG1-CZ3 4.48Å; I485-A651 HydrophobicContact CG1-CB 4.05Å; I485-A651 WeakPolarHBondContact O-CB 3.48Å; I485-A660 HydrophobicContact CD1-CB 3.76Å
486H96.8Very high93.1Very high8 Ų870.7 Ų70.74%0.03739%0.391CS..THydrogen-bonded Turntrans-90.79.8179.4-64.3-62.6000114G484 G488 D489 I491 S502 E503 K506G484-H486 PolarHBondContact O-N 3.13Å; H486-G488 PolarHBondContact O-N 3.42Å; H486-G488 VanDerWaalsContact O-N 3.09Å; H486-D489 HydrophobicContact CB-CB 4.26Å; H486-D489 IonicContact CE1-OD2 3.01Å; H486-D489 IonicContact CG-OD2 3.63Å; H486-D489 IonicContact ND1-OD2 2.67Å; H486-D489 PolarHBondContact ND1-OD2 3.04Å; H486-D489 PolarHBondContact O-N 3.2Å; H486-I491 HydrophobicContact CB-CD1 3.94Å; H486-I491 HydrophobicContact CB-CG1 4.03Å; H486-S502 WeakPolarHBondContact NE2-CB 3.43Å; H486-S502 PolarHBondContact NE2-OG 3.2Å; H486-S502 VanDerWaalsContact NE2-OG 3.13Å; H486-E503 IonicContact CD2-OE2 3.63Å; H486-K506 PolarHBondContact CD2-NZ 2.91Å; H486-K506 PolarHBondContact NE2-NZ 3.41Å
487A94.2Very high93.5Very high96 Ų9671.3 Ų71.379%0.79340%0.397SS*.THydrogen-bonded Turntrans-59.4-24.6-177.500000113.9G484G484-A487 VanDerWaalsContact O-CB 3.29Å; G484-A487 WeakPolarHBondContact O-CB 3.43Å; G484-A487 PolarHBondContact O-N 3.27Å; G484-A487 VanDerWaalsContact O-N 3.13Å
488G93.4Very high94Very high79 Ų7962.6 Ų62.681%0.81437%0.374SS*.THydrogen-bonded Turntrans-101.80.4174.400000115H486H486-G488 PolarHBondContact O-N 3.42Å; H486-G488 VanDerWaalsContact O-N 3.09Å
489D94.8Very high94.3Very high46 Ų4662.4 Ų62.425%0.24637%0.366CS..SBendtrans-93.1148.6-179.6-63.8-33.5000110.1H486 I491 E499 K635H486-D489 HydrophobicContact CB-CB 4.26Å; H486-D489 IonicContact CE1-OD2 3.01Å; H486-D489 IonicContact CG-OD2 3.63Å; H486-D489 IonicContact ND1-OD2 2.67Å; H486-D489 PolarHBondContact ND1-OD2 3.04Å; H486-D489 PolarHBondContact O-N 3.2Å; D489-I491 HydrophobicContact CB-CD1 4.1Å; D489-I491 PolarHBondContact O-N 3.21Å; D489-E499 HydrophobicContact CB-CB 4.09Å; D489-E499 HydrophobicContact CB-CG 4.15Å; D489-K635 IonicContact OD1-NZ 2.96Å; D489-K635 PolarHBondContact OD1-NZ 3.45Å; D489-K635 VanDerWaalsContact OD1-NZ 3.11Å; D489-K635 IonicContact OD2-NZ 3.96Å; D489-K635 PolarHBondContact OD2-NZ 3.08Å
490E93.2Very high94.5Very high145 Ų14560 Ų6068%0.67836%0.355SS*.  trans-78.183.8175-74.6-169.3-157.800111.9R492E490-R492 PolarHBondContact O-N 3.1Å; E490-R492 IonicContact OE2-CZ 2.89Å; E490-R492 IonicContact OE2-NE 2.7Å; E490-R492 IonicContact OE2-NH2 2.89Å; E490-R492 PolarHBondContact OE2-NH2 2.95Å
491I94.4Very high94.6Very high44 Ų4460.1 Ų60.123%0.22636%0.355CS..  trans-81.1114.9177.7-53.2-57.6000110.8H486 D489 E499 T500 E503H486-I491 HydrophobicContact CB-CD1 3.94Å; H486-I491 HydrophobicContact CB-CG1 4.03Å; D489-I491 HydrophobicContact CB-CD1 4.1Å; D489-I491 PolarHBondContact O-N 3.21Å; I491-E499 HydrophobicContact CD1-CB 4Å; I491-E499 WeakPolarHBondContact CD1-O 3.31Å; I491-T500 HydrophobicContact CG2-CG2 4.39Å; I491-E503 HydrophobicContact CD1-CB 4Å; I491-E503 HydrophobicContact CG1-CB 4.33Å; I491-E503 HydrophobicContact CG1-CG 4.35Å; I491-E503 HydrophobicContact CG2-CB 4.24Å; I491-E503 HydrophobicContact CG2-CG 3.98Å
492R92.5Very high94.7Very high156 Ų15652.8 Ų52.859%0.58933%0.328SS*.  trans-115.3109.3177.6-62-175.7-169.7-167.23.4110.6E490 G494 S495 T500E490-R492 PolarHBondContact O-N 3.1Å; E490-R492 IonicContact OE2-CZ 2.89Å; E490-R492 IonicContact OE2-NE 2.7Å; E490-R492 IonicContact OE2-NH2 2.89Å; E490-R492 PolarHBondContact OE2-NH2 2.95Å; R492-G494 PolarHBondContact O-N 3.49Å; R492-S495 WeakPolarHBondContact O-CB 3.37Å; R492-S495 PolarHBondContact O-N 2.91Å; R492-T500 PolarHBondContact N-OG1 3.17Å; R492-T500 VanDerWaalsContact O-CG2 3.26Å; R492-T500 WeakPolarHBondContact O-CG2 3.25Å
493P87.5Confident94.8Very high82 Ų8252.1 Ų52.153%0.53232%0.323SS..THydrogen-bonded Turntrans-51.1126.2176.7-27.635.3000112.3W473 I474W473-P493 HydrophobicContact CZ3-CB 4.23Å; I474-P493 HydrophobicContact CG2-CB 3.94Å
494G85Confident94.9Very high39 Ų3951.5 Ų51.540%0.40232%0.32SS..THydrogen-bonded Turntrans92.9-15.9-174.900000116.1W473 R492W473-G494 VanDerWaalsContact CH2-N 3.32Å; R492-G494 PolarHBondContact O-N 3.49Å
495S93.3Very high95Very high36 Ų3649.8 Ų49.825%0.25230%0.301SS..  trans-70.5153.8172.1-177.60000111.9R492 T497 T500R492-S495 WeakPolarHBondContact O-CB 3.37Å; R492-S495 PolarHBondContact O-N 2.91Å; S495-T497 PolarHBondContact OG-N 2.96Å; S495-T500 VanDerWaalsContact O-CG2 3.29Å; S495-T500 WeakPolarHBondContact O-CG2 3.46Å
496N94.7Very high95.1Very high101 Ų10150.7 Ų50.754%0.5431%0.305SS..  trans-107.621.8176.3-68.5-28.9000112.7L501N496-L501 HydrophobicContact CB-CD1 4.32Å; N496-L501 WeakPolarHBondContact O-CD1 3.26Å
497T97.2Very high95.1Very high56 Ų5652.7 Ų52.734%0.34431%0.313SS..  trans-63.8146.9171.659.30000110.4S495 E499 T500 L501S495-T497 PolarHBondContact OG-N 2.96Å; T497-E499 VanDerWaalsContact C-N 3.25Å; T497-E499 PolarHBondContact O-N 2.82Å; T497-T500 PolarHBondContact O-N 3.43Å; T497-T500 VanDerWaalsContact O-N 3.08Å; T497-T500 VanDerWaalsContact OG1-CB 3.29Å; T497-T500 WeakPolarHBondContact OG1-CB 3.4Å; T497-T500 PolarHBondContact OG1-N 2.77Å; T497-T500 PolarHBondContact OG1-OG1 3.36Å; T497-L501 WeakPolarHBondContact O-CG 3.16Å; T497-L501 PolarHBondContact O-N 3.12Å
498P97.5Very high95.2Very high74 Ų7448.1 Ų48.148%0.48128%0.275SS..Hα-helixtrans-52.3-42.2-179.3-28.236.2000113.4L501 S502 W662P498-L501 PolarHBondContact O-N 3.01Å; P498-S502 WeakPolarHBondContact O-CB 3.39Å; P498-S502 PolarHBondContact O-N 2.93Å; P498-W662 HydrophobicContact CB-CH2 3.5Å; P498-W662 HydrophobicContact CB-CZ2 3.97Å; P498-W662 HydrophobicContact CB-CZ3 4.17Å
499E97.8Very high95.4Very high57 Ų5744.7 Ų44.727%0.26624%0.238SC..Hα-helixtrans-66-43.4179-65.572.2-160.800111.4D489 I491 T497 S502 E503D489-E499 HydrophobicContact CB-CB 4.09Å; D489-E499 HydrophobicContact CB-CG 4.15Å; I491-E499 HydrophobicContact CD1-CB 4Å; I491-E499 WeakPolarHBondContact CD1-O 3.31Å; T497-E499 VanDerWaalsContact C-N 3.25Å; T497-E499 PolarHBondContact O-N 2.82Å; E499-S502 PolarHBondContact O-N 3.01Å; E499-E503 PolarHBondContact O-N 2.94Å
500T98Very high95.5Very high0 Ų042.6 Ų42.60%023%0.226CC..Hα-helixtrans-62.7-45.6176.2-63.30000111.1W473 I491 R492 S495 T497 S502 E503 A504W473-T500 HydrophobicContact CH2-CG2 3.43Å; W473-T500 VanDerWaalsContact CH2-CG2 3.43Å; W473-T500 HydrophobicContact CZ2-CG2 4.31Å; W473-T500 HydrophobicContact CZ3-CG2 4.08Å; I491-T500 HydrophobicContact CG2-CG2 4.39Å; R492-T500 PolarHBondContact N-OG1 3.17Å; R492-T500 VanDerWaalsContact O-CG2 3.26Å; R492-T500 WeakPolarHBondContact O-CG2 3.25Å; S495-T500 VanDerWaalsContact O-CG2 3.29Å; S495-T500 WeakPolarHBondContact O-CG2 3.46Å; T497-T500 PolarHBondContact O-N 3.43Å; T497-T500 VanDerWaalsContact O-N 3.08Å; T497-T500 VanDerWaalsContact OG1-CB 3.29Å; T497-T500 WeakPolarHBondContact OG1-CB 3.4Å; T497-T500 PolarHBondContact OG1-N 2.77Å; T497-T500 PolarHBondContact OG1-OG1 3.36Å; T500-S502 VanDerWaalsContact C-N 3.31Å; T500-S502 PolarHBondContact O-N 2.58Å; T500-E503 PolarHBondContact O-N 3.1Å; T500-A504 VanDerWaalsContact O-CB 3.3Å; T500-A504 WeakPolarHBondContact O-CB 3.38Å; T500-A504 PolarHBondContact O-N 3.07Å
501L98.1Very high95.7Very high14 Ų1437.1 Ų37.17%0.07320%0.201CC..Hα-helixtrans-65.9-36.4178.6-64.8177.6000111.3P467 R468 N496 T497 P498 A504 V505 V632P467-L501 HydrophobicContact CB-CD2 4.21Å; P467-L501 HydrophobicContact CG-CB 4.09Å; P467-L501 HydrophobicContact CG-CD2 3.87Å; R468-L501 HydrophobicContact CG-CD1 4.23Å; R468-L501 HydrophobicContact CG-CD2 4.06Å; N496-L501 HydrophobicContact CB-CD1 4.32Å; N496-L501 WeakPolarHBondContact O-CD1 3.26Å; T497-L501 WeakPolarHBondContact O-CG 3.16Å; T497-L501 PolarHBondContact O-N 3.12Å; P498-L501 PolarHBondContact O-N 3.01Å; L501-A504 WeakPolarHBondContact O-CB 3.38Å; L501-A504 PolarHBondContact O-N 3.35Å; L501-V505 WeakPolarHBondContact O-CG2 3.48Å; L501-V505 PolarHBondContact O-N 3.06Å; L501-V632 HydrophobicContact CB-CG2 4.16Å; L501-V632 HydrophobicContact CD1-CG1 4.35Å
502S98.2Very high95.8Very high0 Ų035.2 Ų35.20%019%0.191CC..Hα-helixtrans-64.7-46174.9-1780000112.7H486 P498 E499 T500 A504 V505 K506 E634 K635H486-S502 WeakPolarHBondContact NE2-CB 3.43Å; H486-S502 PolarHBondContact NE2-OG 3.2Å; H486-S502 VanDerWaalsContact NE2-OG 3.13Å; P498-S502 WeakPolarHBondContact O-CB 3.39Å; P498-S502 PolarHBondContact O-N 2.93Å; E499-S502 PolarHBondContact O-N 3.01Å; T500-S502 VanDerWaalsContact C-N 3.31Å; T500-S502 PolarHBondContact O-N 2.58Å; S502-A504 VanDerWaalsContact C-N 3.29Å; S502-A504 PolarHBondContact O-N 3.11Å; S502-V505 PolarHBondContact O-N 3.23Å; S502-K506 WeakPolarHBondContact O-CG 3.28Å; S502-K506 PolarHBondContact O-N 3.28Å; S502-K506 PolarHBondContact OG-NZ 3.46Å; S502-E634 VanDerWaalsContact OG-CA 3.22Å; S502-E634 WeakPolarHBondContact OG-CA 3.44Å; S502-K635 PolarHBondContact OG-N 2.74Å
503E97.3Very high96Very high10 Ų1027.8 Ų27.85%0.04716%0.163CC..Hα-helixtrans-63-37.9174.8176.360-165.900111.3T482 H486 I491 E499 T500 K506 R507T482-E503 WeakPolarHBondContact CG2-OE1 3.46Å; T482-E503 PolarHBondContact OG1-OE1 3.2Å; T482-E503 PolarHBondContact OG1-OE2 3.12Å; H486-E503 IonicContact CD2-OE2 3.63Å; I491-E503 HydrophobicContact CD1-CB 4Å; I491-E503 HydrophobicContact CG1-CB 4.33Å; I491-E503 HydrophobicContact CG1-CG 4.35Å; I491-E503 HydrophobicContact CG2-CB 4.24Å; I491-E503 HydrophobicContact CG2-CG 3.98Å; E499-E503 PolarHBondContact O-N 2.94Å; T500-E503 PolarHBondContact O-N 3.1Å; E503-K506 PolarHBondContact O-N 2.67Å; E503-R507 WeakPolarHBondContact O-CG 3.27Å; E503-R507 PolarHBondContact O-N 2.66Å; E503-R507 IonicContact OE1-CZ 3.7Å; E503-R507 IonicContact OE1-NE 2.9Å; E503-R507 PolarHBondContact OE1-NE 2.85Å; E503-R507 IonicContact OE1-NH2 3.85Å; E503-R507 PolarHBondContact OE1-NH2 3.38Å
504A97.5Very high96.4Very high0 Ų023.9 Ų23.90%014%0.138CC..Hα-helixtrans-61.5-44.2175.800000112.7P467 W473 T500 L501 S502 K506 R507 L508P467-A504 HydrophobicContact CB-CB 3.49Å; P467-A504 VanDerWaalsContact CB-CB 3.49Å; P467-A504 HydrophobicContact CG-CB 4.32Å; W473-A504 HydrophobicContact CD2-CB 3.3Å; W473-A504 HydrophobicContact CE3-CB 3.62Å; W473-A504 HydrophobicContact CG-CB 3.72Å; W473-A504 HydrophobicContact CH2-CB 4.03Å; W473-A504 HydrophobicContact CZ2-CB 3.75Å; W473-A504 HydrophobicContact CZ3-CB 3.95Å; T500-A504 VanDerWaalsContact O-CB 3.3Å; T500-A504 WeakPolarHBondContact O-CB 3.38Å; T500-A504 PolarHBondContact O-N 3.07Å; L501-A504 WeakPolarHBondContact O-CB 3.38Å; L501-A504 PolarHBondContact O-N 3.35Å; S502-A504 VanDerWaalsContact C-N 3.29Å; S502-A504 PolarHBondContact O-N 3.11Å; A504-K506 PolarHBondContact O-N 3.38Å; A504-R507 PolarHBondContact O-N 3.27Å; A504-L508 WeakPolarHBondContact O-CG 3.38Å; A504-L508 PolarHBondContact O-N 3.29Å
505V97.9Very high96.9Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-59.4-46.7176173.70000111V465 P467 L501 S502 R507 L508 K509 S630 V632 E634V465-V505 HydrophobicContact CG1-CG1 4.22Å; P467-V505 HydrophobicContact CB-CG2 4.49Å; P467-V505 HydrophobicContact CG-CG2 3.73Å; L501-V505 WeakPolarHBondContact O-CG2 3.48Å; L501-V505 PolarHBondContact O-N 3.06Å; S502-V505 PolarHBondContact O-N 3.23Å; V505-R507 VanDerWaalsContact C-N 3.25Å; V505-R507 PolarHBondContact O-N 2.96Å; V505-L508 CarbonylContact O-C 3.58Å; V505-L508 PolarHBondContact O-N 2.68Å; V505-L508 VanDerWaalsContact O-N 3.11Å; V505-K509 HydrophobicContact CG1-CD 3.87Å; V505-K509 HydrophobicContact CG1-CG 4.07Å; V505-K509 PolarHBondContact O-N 3.23Å; V505-S630 WeakPolarHBondContact CG2-OG 3.42Å; V505-V632 HydrophobicContact CG2-CG2 3.45Å; V505-V632 VanDerWaalsContact CG2-CG2 3.45Å; V505-E634 HydrophobicContact CB-CG 4.08Å; V505-E634 HydrophobicContact CG1-CG 3.94Å; V505-E634 VanDerWaalsContact CG1-OE2 3.27Å; V505-E634 WeakPolarHBondContact CG1-OE2 3.14Å; V505-E634 HydrophobicContact CG2-CG 4.45Å
506K97.6Very high97Very high21 Ų2122.1 Ų22.19%0.09112%0.115CC..Hα-helixtrans-56.1-42.2179.6-66.6-177.4-177.3820111.6I480 T482 D483 H486 S502 E503 A504 K635I480-K506 WeakPolarHBondContact CG2-O 3.27Å; T482-K506 HydrophobicContact CG2-CB 3.62Å; T482-K506 HydrophobicContact CG2-CD 4.37Å; D483-K506 VanDerWaalsContact OD1-CE 3.26Å; D483-K506 WeakPolarHBondContact OD1-CE 3.36Å; D483-K506 WeakPolarHBondContact OD2-CE 3.41Å; H486-K506 PolarHBondContact CD2-NZ 2.91Å; H486-K506 PolarHBondContact NE2-NZ 3.41Å; S502-K506 WeakPolarHBondContact O-CG 3.28Å; S502-K506 PolarHBondContact O-N 3.28Å; S502-K506 PolarHBondContact OG-NZ 3.46Å; E503-K506 PolarHBondContact O-N 2.67Å; A504-K506 PolarHBondContact O-N 3.38Å; K506-K635 WeakPolarHBondContact CE-O 3.21Å; K506-K635 PolarHBondContact NZ-O 3.02Å
507R96.6Very high97Very high50 Ų5017.5 Ų17.519%0.1899%0.09CC..Hα-helixtrans-67.2-45.7175.5-64.1178.1-169.7-163.91.6112.2H479 T482 E503 A504 V505 G510H479-R507 HydrophobicContact CB-CB 4.46Å; T482-R507 HydrophobicContact CG2-CG 3.96Å; E503-R507 WeakPolarHBondContact O-CG 3.27Å; E503-R507 PolarHBondContact O-N 2.66Å; E503-R507 IonicContact OE1-CZ 3.7Å; E503-R507 IonicContact OE1-NE 2.9Å; E503-R507 PolarHBondContact OE1-NE 2.85Å; E503-R507 IonicContact OE1-NH2 3.85Å; E503-R507 PolarHBondContact OE1-NH2 3.38Å; A504-R507 PolarHBondContact O-N 3.27Å; V505-R507 VanDerWaalsContact C-N 3.25Å; V505-R507 PolarHBondContact O-N 2.96Å; R507-G510 PolarHBondContact O-N 3.22Å
508L97.4Very high96.9Very high0 Ų021 Ų210%010%0.097CC..Hα-helixtrans-63.5-39.8178.9-72.8176.9000112V465 P467 D470 R472 W473 A504 V505 G510 E511 Y512V465-L508 HydrophobicContact CG1-CB 3.6Å; V465-L508 HydrophobicContact CG1-CD1 4.03Å; V465-L508 HydrophobicContact CG1-CG 4.5Å; P467-L508 HydrophobicContact CB-CD1 3.95Å; D470-L508 HydrophobicContact CB-CD1 4.05Å; D470-L508 HydrophobicContact CB-CD2 4.46Å; R472-L508 HydrophobicContact CB-CD2 4.42Å; W473-L508 HydrophobicContact CB-CD2 3.88Å; W473-L508 HydrophobicContact CB-CG 3.95Å; W473-L508 HydrophobicContact CG-CG 4.39Å; A504-L508 WeakPolarHBondContact O-CG 3.38Å; A504-L508 PolarHBondContact O-N 3.29Å; V505-L508 CarbonylContact O-C 3.58Å; V505-L508 PolarHBondContact O-N 2.68Å; V505-L508 VanDerWaalsContact O-N 3.11Å; L508-G510 PolarHBondContact O-N 2.83Å; L508-E511 CarbonylContact O-C 3.46Å; L508-E511 WeakPolarHBondContact O-CA 3.42Å; L508-E511 WeakPolarHBondContact O-CB 3.48Å; L508-E511 PolarHBondContact O-N 3.11Å; L508-Y512 HydrophobicContact CB-CD2 4.21Å; L508-Y512 HydrophobicContact CB-CE2 4.17Å; L508-Y512 HydrophobicContact CD2-CE2 4.32Å; L508-Y512 WeakPolarHBondContact O-CD2 2.99Å; L508-Y512 PolarHBondContact O-N 2.93Å
509K98Very high96.6Very high8 Ų821.7 Ų21.74%0.0359%0.094CC..Hα-helixtrans-56.1-37178.3-82.4178.9165.2176.80112.7V465 V505 Y512 A513 V600 L628 E634 E665V465-K509 HydrophobicContact CG1-CG 4.5Å; V465-K509 HydrophobicContact CG2-CG 4.3Å; V505-K509 HydrophobicContact CG1-CD 3.87Å; V505-K509 HydrophobicContact CG1-CG 4.07Å; V505-K509 PolarHBondContact O-N 3.23Å; K509-Y512 PolarHBondContact O-N 3.29Å; K509-A513 WeakPolarHBondContact O-CB 3.32Å; K509-A513 PolarHBondContact O-N 3.48Å; K509-V600 HydrophobicContact CB-CG1 4.18Å; K509-V600 VanDerWaalsContact CD-O 3.28Å; K509-V600 WeakPolarHBondContact CD-O 3.45Å; K509-V600 WeakPolarHBondContact CE-O 3.23Å; K509-L628 HydrophobicContact CB-CD1 4.5Å; K509-L628 HydrophobicContact CG-CD1 4.48Å; K509-E634 IonicContact NZ-OE1 2.98Å; K509-E634 PolarHBondContact NZ-OE1 3.11Å; K509-E634 IonicContact NZ-OE2 3.18Å; K509-E665 IonicContact NZ-OE1 3.52Å; K509-E665 PolarHBondContact NZ-OE1 3.19Å; K509-E665 IonicContact NZ-OE2 3.81Å; K509-E665 PolarHBondContact NZ-OE2 2.98Å
510G96.7Very high96.3Very high1 Ų120.3 Ų20.31%0.019%0.088CC..Hα-helixtrans-63.5-38.3171.900000113.8R507 L508 L514 W541R507-G510 PolarHBondContact O-N 3.22Å; L508-G510 PolarHBondContact O-N 2.83Å; G510-L514 PolarHBondContact O-N 2.98Å; G510-W541 PolarHBondContact O-NE1 3.05Å
511E95.6Very high96Very high30 Ų3028.9 Ų28.914%0.1413%0.126CC..Hα-helixtrans-71.9-42.6175.4-66.7-61157.400112.1L476 L508 A513 L514 Q515 W541L476-E511 HydrophobicContact CD1-CG 3.74Å; L476-E511 HydrophobicContact CD2-CG 4.12Å; L508-E511 CarbonylContact O-C 3.46Å; L508-E511 WeakPolarHBondContact O-CA 3.42Å; L508-E511 WeakPolarHBondContact O-CB 3.48Å; L508-E511 PolarHBondContact O-N 3.11Å; E511-A513 VanDerWaalsContact C-N 3.33Å; E511-A513 PolarHBondContact O-N 3.26Å; E511-L514 PolarHBondContact O-N 3.49Å; E511-Q515 VanDerWaalsContact O-CB 3.31Å; E511-Q515 WeakPolarHBondContact O-CB 3.4Å; E511-Q515 PolarHBondContact O-N 3.36Å; E511-W541 WeakPolarHBondContact OE1-CZ2 3.23Å
512Y97.6Very high95.7Very high4 Ų428.3 Ų28.32%0.01612%0.123CC..Hα-helixtrans-65.2-37.7178.5-83.8-118.8000111.2V463 V465 D470 R472 L508 K509 Q515 A516 L628 S685 I687V463-Y512 HydrophobicContact CG1-CD1 3.63Å; V463-Y512 HydrophobicContact CG1-CE1 3.66Å; V465-Y512 HydrophobicContact CG1-CE2 4.35Å; V465-Y512 HydrophobicContact CG2-CD1 3.82Å; V465-Y512 HydrophobicContact CG2-CE1 4.09Å; V465-Y512 HydrophobicContact CG2-CG 4.07Å; D470-Y512 WeakPolarHBondContact OD2-CE2 3.42Å; D470-Y512 PolarHBondContact OD2-OH 2.98Å; R472-Y512 VanDerWaalsContact NH2-CE2 3.26Å; L508-Y512 HydrophobicContact CB-CD2 4.21Å; L508-Y512 HydrophobicContact CB-CE2 4.17Å; L508-Y512 HydrophobicContact CD2-CE2 4.32Å; L508-Y512 WeakPolarHBondContact O-CD2 2.99Å; L508-Y512 PolarHBondContact O-N 2.93Å; K509-Y512 PolarHBondContact O-N 3.29Å; Y512-Q515 PolarHBondContact O-N 2.84Å; Y512-A516 WeakPolarHBondContact O-CB 3.36Å; Y512-A516 PolarHBondContact O-N 2.91Å; Y512-L628 HydrophobicContact CD1-CD2 4.38Å; Y512-S685 WeakPolarHBondContact OH-CB 3.29Å; Y512-I687 HydrophobicContact CD1-CD1 4Å; Y512-I687 HydrophobicContact CG-CD1 4.43Å; Y512-I687 WeakPolarHBondContact O-CD1 3.32Å
513A97.2Very high95.3Very high0 Ų032.3 Ų32.30%014%0.144CC..Hα-helixtrans-61.8-45.9173.300000111.8K509 E511 Q515 A516 I517 M538 L628K509-A513 WeakPolarHBondContact O-CB 3.32Å; K509-A513 PolarHBondContact O-N 3.48Å; E511-A513 VanDerWaalsContact C-N 3.33Å; E511-A513 PolarHBondContact O-N 3.26Å; A513-Q515 VanDerWaalsContact C-N 3.33Å; A513-Q515 PolarHBondContact O-N 3.02Å; A513-A516 PolarHBondContact O-N 3.41Å; A513-I517 WeakPolarHBondContact O-CG1 3.15Å; A513-I517 PolarHBondContact O-N 3.32Å; A513-I517 VanDerWaalsContact O-N 3.09Å; A513-M538 HydrophobicContact CB-CE 3.75Å; A513-M538 HydrophobicContact CB-SD 4.28Å; A513-L628 HydrophobicContact CB-CD1 4.37Å
514L95.2Very high95.1Very high1 Ų134.1 Ų34.11%0.00515%0.15CC..Hα-helixtrans-63-39.7174-82.1176.3000112.5G510 E511 I517 R518 W541 L542 C545 Y550G510-L514 PolarHBondContact O-N 2.98Å; E511-L514 PolarHBondContact O-N 3.49Å; L514-I517 PolarHBondContact O-N 2.9Å; L514-R518 WeakPolarHBondContact O-CG 3.49Å; L514-R518 PolarHBondContact O-N 3.28Å; L514-W541 HydrophobicContact CD1-CZ2 3.59Å; L514-L542 HydrophobicContact CD2-CD2 3.45Å; L514-L542 VanDerWaalsContact CD2-CD2 3.45Å; L514-L542 HydrophobicContact CG-CD2 4.01Å; L514-C545 HydrophobicContact CD1-CB 3.81Å; L514-C545 HydrophobicContact CD2-CB 4.11Å; L514-Y550 HydrophobicContact CD2-CD2 3.65Å; L514-Y550 HydrophobicContact CD2-CE2 3.53Å
515Q94.9Very high95Very high37 Ų3734.1 Ų34.117%0.17315%0.15CC..Hα-helixtrans-65.8-43.6178.7-174.8169.5-10.300111.2E511 Y512 A513 I517 R518 Q519 S685 E686 I687E511-Q515 VanDerWaalsContact O-CB 3.31Å; E511-Q515 WeakPolarHBondContact O-CB 3.4Å; E511-Q515 PolarHBondContact O-N 3.36Å; Y512-Q515 PolarHBondContact O-N 2.84Å; A513-Q515 VanDerWaalsContact C-N 3.33Å; A513-Q515 PolarHBondContact O-N 3.02Å; Q515-I517 VanDerWaalsContact C-N 3.3Å; Q515-I517 PolarHBondContact O-N 3.39Å; Q515-R518 PolarHBondContact O-N 3.13Å; Q515-Q519 VanDerWaalsContact O-CB 3.25Å; Q515-Q519 WeakPolarHBondContact O-CB 3.17Å; Q515-Q519 PolarHBondContact O-N 2.98Å; Q515-S685 PolarHBondContact NE2-O 2.9Å; Q515-S685 PolarHBondContact OE1-O 3.32Å; Q515-E686 VanDerWaalsContact NE2-CA 3.32Å; Q515-E686 PolarHBondContact NE2-O 2.95Å; Q515-I687 HydrophobicContact CB-CD1 4.11Å; Q515-I687 HydrophobicContact CG-CD1 4.14Å; Q515-I687 HydrophobicContact CG-CG1 4.35Å
516A96Very high94.8Very high0 Ų034.1 Ų34.10%015%0.15CC..Hα-helixtrans-57.1-44.9173.600000111.1Y512 A513 N520 I522 I598 I626 I687Y512-A516 WeakPolarHBondContact O-CB 3.36Å; Y512-A516 PolarHBondContact O-N 2.91Å; A513-A516 PolarHBondContact O-N 3.41Å; A516-N520 WeakPolarHBondContact O-CB 3.5Å; A516-N520 PolarHBondContact O-N 2.98Å; A516-N520 VanDerWaalsContact O-N 3.15Å; A516-N520 PolarHBondContact O-ND2 3.07Å; A516-N520 VanDerWaalsContact O-ND2 3.11Å; A516-I522 WeakPolarHBondContact O-CD1 3.46Å; A516-I598 HydrophobicContact CB-CD1 4.11Å; A516-I626 HydrophobicContact CB-CD1 3.97Å; A516-I626 HydrophobicContact CB-CG2 4.49Å; A516-I687 HydrophobicContact CB-CD1 4.08Å; A516-I687 HydrophobicContact CB-CG2 4.12Å
517I95.3Very high94.8Very high4 Ų433.1 Ų33.12%0.02115%0.146CC..Hα-helixtrans-60-47.9176.9-70.3165000111.7A513 L514 Q515 K521 I522 I527 L542 Y550 F578 I598A513-I517 WeakPolarHBondContact O-CG1 3.15Å; A513-I517 PolarHBondContact O-N 3.32Å; A513-I517 VanDerWaalsContact O-N 3.09Å; L514-I517 PolarHBondContact O-N 2.9Å; Q515-I517 VanDerWaalsContact C-N 3.3Å; Q515-I517 PolarHBondContact O-N 3.39Å; I517-K521 WeakPolarHBondContact O-CA 3.46Å; I517-K521 PolarHBondContact O-N 3.34Å; I517-I522 HydrophobicContact CB-CB 4.42Å; I517-I522 HydrophobicContact CG1-CB 4.4Å; I517-I522 HydrophobicContact CG2-CB 4.39Å; I517-I522 PolarHBondContact O-N 3.12Å; I517-I527 HydrophobicContact CD1-CD1 4.48Å; I517-L542 HydrophobicContact CD1-CD1 4.42Å; I517-L542 HydrophobicContact CD1-CD2 3.92Å; I517-Y550 HydrophobicContact CG2-CD1 4.13Å; I517-Y550 HydrophobicContact CG2-CE1 3.97Å; I517-F578 HydrophobicContact CD1-CD2 4.46Å; I517-F578 HydrophobicContact CD1-CE1 4.46Å; I517-F578 HydrophobicContact CD1-CE2 3.95Å; I517-F578 HydrophobicContact CD1-CZ 3.96Å; I517-F578 HydrophobicContact CG1-CE1 4.47Å; I517-F578 HydrophobicContact CG1-CZ 4.14Å; I517-F578 HydrophobicContact CG2-CE2 4.3Å; I517-F578 HydrophobicContact CG2-CZ 3.71Å; I517-I598 HydrophobicContact CG1-CD1 3.91Å
518R94Very high94.9Very high130 Ų13030.9 Ų30.949%0.49114%0.138SC..Hα-helixtrans-69.8-49.9-176.9-71.5170.4-179.1156.60.3112L514 Q515 N520 K521 Y550L514-R518 WeakPolarHBondContact O-CG 3.49Å; L514-R518 PolarHBondContact O-N 3.28Å; Q515-R518 PolarHBondContact O-N 3.13Å; R518-N520 PolarHBondContact O-N 3.02Å; R518-K521 PolarHBondContact O-N 2.65Å; R518-Y550 WeakPolarHBondContact CG-OH 3.44Å; R518-Y550 PolarHBondContact NE-OH 3.07Å
519Q92.6Very high94.9Very high89 Ų8930.9 Ų30.942%0.41614%0.138SC..Hα-helixtrans-66.4-39.9-172.7-172.357.527.500111.7Q515 K521 I687 K688Q515-Q519 VanDerWaalsContact O-CB 3.25Å; Q515-Q519 WeakPolarHBondContact O-CB 3.17Å; Q515-Q519 PolarHBondContact O-N 2.98Å; Q519-K521 VanDerWaalsContact C-N 3.34Å; Q519-I687 VanDerWaalsContact CG-O 3.28Å; Q519-I687 WeakPolarHBondContact CG-O 3.37Å; Q519-K688 HydrophobicContact CG-CG 4.19Å
520N91Very high94.7Very high28 Ų2832.1 Ų32.115%0.1514%0.142CC..THydrogen-bonded Turntrans-93.98.4-179.7-60.1-78.3000113A516 R518 I522 L624 I687A516-N520 WeakPolarHBondContact O-CB 3.5Å; A516-N520 PolarHBondContact O-N 2.98Å; A516-N520 VanDerWaalsContact O-N 3.15Å; A516-N520 PolarHBondContact O-ND2 3.07Å; A516-N520 VanDerWaalsContact O-ND2 3.11Å; R518-N520 PolarHBondContact O-N 3.02Å; N520-I522 HydrophobicContact CB-CD1 4.2Å; N520-I522 HydrophobicContact CB-CG1 3.8Å; N520-I522 PolarHBondContact O-N 3.29Å; N520-I522 VanDerWaalsContact O-N 3.15Å; N520-L624 HydrophobicContact CB-CD2 4.47Å; N520-I687 PolarHBondContact ND2-O 3.03Å
521K91.1Very high94.6Very high180 Ų18033.6 Ų33.678%0.78315%0.151SC*.THydrogen-bonded Turntrans50.138.9-179.3-58.3177.2-177.1174.10112.6I517 R518 Q519 D523I517-K521 WeakPolarHBondContact O-CA 3.46Å; I517-K521 PolarHBondContact O-N 3.34Å; R518-K521 PolarHBondContact O-N 2.65Å; Q519-K521 VanDerWaalsContact C-N 3.34Å; K521-D523 PolarHBondContact O-N 2.46Å
522I92.3Very high94.5Very high2 Ų235.7 Ų35.71%0.0116%0.16CC..  trans-64.3122.8-175.1-58.4-175.3000108.8A516 I517 N520 C525 F578 F596 I598 I626A516-I522 WeakPolarHBondContact O-CD1 3.46Å; I517-I522 HydrophobicContact CB-CB 4.42Å; I517-I522 HydrophobicContact CG1-CB 4.4Å; I517-I522 HydrophobicContact CG2-CB 4.39Å; I517-I522 PolarHBondContact O-N 3.12Å; N520-I522 HydrophobicContact CB-CD1 4.2Å; N520-I522 HydrophobicContact CB-CG1 3.8Å; N520-I522 PolarHBondContact O-N 3.29Å; N520-I522 VanDerWaalsContact O-N 3.15Å; I522-C525 HydrophobicContact CG2-CB 3.58Å; I522-F578 HydrophobicContact CG2-CE1 3.9Å; I522-F596 HydrophobicContact CB-CD2 4.1Å; I522-F596 HydrophobicContact CB-CE2 4.46Å; I522-F596 HydrophobicContact CB-CG 4.27Å; I522-F596 HydrophobicContact CD1-CB 4.24Å; I522-F596 HydrophobicContact CD1-CD1 4.11Å; I522-F596 HydrophobicContact CD1-CG 4.16Å; I522-F596 HydrophobicContact CG1-CB 4.41Å; I522-F596 HydrophobicContact CG1-CD1 3.9Å; I522-F596 HydrophobicContact CG1-CD2 4.12Å; I522-F596 HydrophobicContact CG1-CE1 4.17Å; I522-F596 HydrophobicContact CG1-CE2 4.39Å; I522-F596 HydrophobicContact CG1-CG 3.89Å; I522-F596 HydrophobicContact CG1-CZ 4.41Å; I522-F596 HydrophobicContact CG2-CB 3.73Å; I522-F596 HydrophobicContact CG2-CD2 3.61Å; I522-F596 HydrophobicContact CG2-CE2 4.4Å; I522-F596 HydrophobicContact CG2-CG 3.73Å; I522-I598 HydrophobicContact CD1-CD1 3.95Å; I522-I598 HydrophobicContact CD1-CG1 4.36Å; I522-I626 HydrophobicContact CD1-CD1 4.32Å
523D90.1Very high94.3Very high84 Ų8438.9 Ų38.945%0.44918%0.177SC..  trans-115.2-20.5-177.767.2-20.1000114.8K521 R577K521-D523 PolarHBondContact O-N 2.46Å; D523-R577 WeakPolarHBondContact O-CB 3.16Å; D523-R577 VanDerWaalsContact O-CG 3.31Å; D523-R577 WeakPolarHBondContact O-CG 3.07Å; D523-R577 PolarHBondContact O-NE 2.83Å
524R92.2Very high94.3Very high47 Ų4740.6 Ų40.618%0.17719%0.186CC..SBendtrans-142.9122.2171.7-165.6178.5-172178.69.9110.4F571 K572 N574 R577 I594 P595 F596R524-F571 HydrophobicContact CG-CE2 4.02Å; R524-F571 HydrophobicContact CG-CZ 4.24Å; R524-F571 PolarHBondContact NH2-O 3.26Å; R524-K572 PolarHBondContact NH2-O 2.9Å; R524-N574 PolarHBondContact NE-OD1 3.21Å; R524-N574 PolarHBondContact NH1-OD1 3.4Å; R524-N574 PolarHBondContact NH2-OD1 3.21Å; R524-R577 VanDerWaalsContact CA-O 3.26Å; R524-R577 WeakPolarHBondContact CA-O 3.33Å; R524-I594 HydrophobicContact CG-CG2 4.47Å; R524-P595 HydrophobicContact CB-CG 4.21Å; R524-F596 WeakPolarHBondContact O-CD2 3.42Å
525C94.8Very high94.4Very high0 Ų040.6 Ų40.60%019%0.186CC..EExtended strand (participates in β ladder)trans-144.9141.3-172.8-158.70000112.9I522 I527 R577 F578 L579 F596I522-C525 HydrophobicContact CG2-CB 3.58Å; C525-I527 HydrophobicContact CB-CG1 4.34Å; C525-R577 PolarHBondContact N-O 2.83Å; C525-R577 VanDerWaalsContact N-O 3.07Å; C525-F578 HydrophobicContact CB-CD1 3.47Å; C525-F578 VanDerWaalsContact CB-CD1 3.47Å; C525-F578 HydrophobicContact CB-CE1 3.85Å; C525-F578 WeakPolarHBondContact O-CA 3.47Å; C525-L579 PolarHBondContact O-N 2.7Å; C525-F596 WeakPolarHBondContact CA-O 3.3Å; C525-F596 HydrophobicContact CB-CB 4.22Å; C525-F596 PolarHBondContact SG-O 2.99Å
526L95Very high94.6Very high1 Ų141.1 Ų41.11%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-86.7133.4155.2-76.8169.2000109.2F528 F571 L579 I589 I594 F596 V597 I598 R615L526-F528 HydrophobicContact CB-CE2 4.16Å; L526-F571 HydrophobicContact CD2-CE1 4.09Å; L526-F571 HydrophobicContact CD2-CZ 4.33Å; L526-F571 HydrophobicContact CG-CZ 4.47Å; L526-L579 WeakPolarHBondContact CA-O 3.34Å; L526-L579 HydrophobicContact CD2-CB 3.96Å; L526-L579 HydrophobicContact CD2-CD2 3.84Å; L526-L579 HydrophobicContact CD2-CG 4.01Å; L526-I589 HydrophobicContact CD2-CD1 4.13Å; L526-I594 HydrophobicContact CD1-CD1 3.46Å; L526-I594 VanDerWaalsContact CD1-CD1 3.46Å; L526-I594 HydrophobicContact CD2-CD1 4.21Å; L526-I594 HydrophobicContact CG-CD1 3.5Å; L526-I594 VanDerWaalsContact CG-CD1 3.5Å; L526-F596 PolarHBondContact N-O 3.09Å; L526-F596 VanDerWaalsContact N-O 3.09Å; L526-V597 HydrophobicContact CB-CG2 3.84Å; L526-V597 HydrophobicContact CD1-CG2 4.39Å; L526-V597 CarbonylContact O-C 3.26Å; L526-V597 WeakPolarHBondContact O-CA 3.33Å; L526-I598 PolarHBondContact O-N 3.15Å; L526-R615 HydrophobicContact CD1-CB 3.54Å; L526-R615 HydrophobicContact CD1-CG 3.84Å
527I97.6Very high94.6Very high0 Ų041.3 Ų41.30%019%0.191CC..EExtended strand (participates in β ladder)trans-119.6120.1178.3-57.6-179.8000107.7I517 C525 M538 L542 F578 L579 I580 C581 I598 V600I517-I527 HydrophobicContact CD1-CD1 4.48Å; C525-I527 HydrophobicContact CB-CG1 4.34Å; I527-M538 HydrophobicContact CG2-CG 4.38Å; I527-L542 HydrophobicContact CD1-CD1 3.66Å; I527-F578 HydrophobicContact CD1-CB 4.02Å; I527-F578 HydrophobicContact CD1-CG 4.24Å; I527-L579 PolarHBondContact N-O 3.3Å; I527-I580 HydrophobicContact CB-CB 4.5Å; I527-I580 HydrophobicContact CB-CG1 4.05Å; I527-I580 HydrophobicContact CD1-CG1 4.3Å; I527-I580 HydrophobicContact CG2-CG1 4.47Å; I527-I580 HydrophobicContact CG2-CG2 4.47Å; I527-I580 CarbonylContact O-C 3.51Å; I527-I580 VanDerWaalsContact O-CA 3.29Å; I527-I580 WeakPolarHBondContact O-CA 3.46Å; I527-C581 PolarHBondContact O-N 3.14Å; I527-I598 CarbonylContact C-O 3.6Å; I527-I598 WeakPolarHBondContact CA-O 3.33Å; I527-I598 HydrophobicContact CG1-CB 4.42Å; I527-V600 HydrophobicContact CG2-CG2 3.43Å; I527-V600 VanDerWaalsContact CG2-CG2 3.43Å
528F97.7Very high94.8Very high2 Ų241.2 Ų41.21%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-100123.9179.8-75.3-86.3000111.1L526 C581 A586 V597 I598 V600 R612 R615L526-F528 HydrophobicContact CB-CE2 4.16Å; F528-C581 WeakPolarHBondContact CA-O 3.41Å; F528-A586 HydrophobicContact CD1-CB 4.34Å; F528-A586 HydrophobicContact CE1-CB 3.25Å; F528-A586 HydrophobicContact CZ-CB 3.71Å; F528-V597 HydrophobicContact CD2-CG1 4.09Å; F528-V597 HydrophobicContact CE2-CG1 4.27Å; F528-V597 HydrophobicContact CE2-CG2 4.33Å; F528-I598 PolarHBondContact N-O 3.26Å; F528-V600 WeakPolarHBondContact O-CB 3.42Å; F528-V600 PolarHBondContact O-N 3.14Å; F528-R612 HydrophobicContact CD1-CG 3.72Å; F528-R612 HydrophobicContact CD2-CB 3.94Å; F528-R612 HydrophobicContact CD2-CG 3.87Å; F528-R612 HydrophobicContact CE1-CB 4.45Å; F528-R612 HydrophobicContact CE1-CG 3.66Å; F528-R612 HydrophobicContact CE2-CB 3.76Å; F528-R612 HydrophobicContact CE2-CG 3.84Å; F528-R612 HydrophobicContact CG-CB 4.39Å; F528-R612 HydrophobicContact CG-CG 3.82Å; F528-R612 HydrophobicContact CZ-CB 4.04Å; F528-R612 HydrophobicContact CZ-CG 3.74Å; F528-R615 HydrophobicContact CZ-CG 4.35Å
529C97.4Very high94.9Very high1 Ų136.6 Ų36.61%0.00717%0.174CC..  trans-114.3152.9168.2-570000109.5D534 C581C529-D534 HydrophobicContact CB-CB 3.75Å; C529-C581 PolarHBondContact N-O 3.42Å
530R94.3Very high95.1Very high34 Ų3436.2 Ų36.213%0.12817%0.173CC..SBendtrans-69.2-42.3178.3-179.2175.4-177.4-89-15112.6T601 D604 W637R530-T601 HydrophobicContact CB-CG2 3.6Å; R530-T601 HydrophobicContact CG-CG2 4.39Å; R530-D604 IonicContact CZ-OD1 2.73Å; R530-D604 IonicContact CZ-OD2 3.49Å; R530-D604 IonicContact NE-OD1 2.68Å; R530-D604 PolarHBondContact NE-OD1 2.78Å; R530-D604 IonicContact NE-OD2 2.85Å; R530-D604 PolarHBondContact NE-OD2 2.85Å; R530-D604 IonicContact NH2-OD1 3.83Å; R530-D604 IonicContact NH2-OD2 3.23Å; R530-D604 PolarHBondContact NH2-OD2 2.73Å; R530-W637 PolarHBondContact NH1-O 3.22Å
531T93.9Very high95.3Very high31 Ų3135.1 Ų35.119%0.1917%0.166CC..SBendtrans-115.9159.2-175.980.10000112.9L533 D534 C535T531-L533 VanDerWaalsContact C-N 3.29Å; T531-L533 PolarHBondContact O-N 3.2Å; T531-D534 WeakPolarHBondContact CB-OD2 3.47Å; T531-D534 PolarHBondContact O-N 3.23Å; T531-D534 PolarHBondContact OG1-N 2.87Å; T531-D534 VanDerWaalsContact OG1-N 3.1Å; T531-D534 PolarHBondContact OG1-OD2 2.87Å; T531-C535 PolarHBondContact O-N 3.49Å; T531-C535 VanDerWaalsContact O-N 3.08Å; T531-C535 PolarHBondContact O-SG 2.76Å; T531-C535 VanDerWaalsContact O-SG 3.39Å
532K93.3Very high95.6Very high74 Ų7426.6 Ų26.632%0.32213%0.129SC..Hα-helixtrans-59.8-40.8174.2-55.3179.5-163.6169.20111.8D534 C535 D536 H556 S557 D558 T582K532-D534 VanDerWaalsContact C-N 3.34Å; K532-C535 WeakPolarHBondContact O-CB 3.42Å; K532-C535 PolarHBondContact O-N 2.98Å; K532-D536 PolarHBondContact O-N 2.86Å; K532-D536 VanDerWaalsContact O-N 3.12Å; K532-H556 HydrophobicContact CB-CB 4.37Å; K532-H556 WeakPolarHBondContact CB-ND1 3.35Å; K532-H556 HydrophobicContact CG-CB 4.04Å; K532-S557 WeakPolarHBondContact CE-OG 3.06Å; K532-S557 PolarHBondContact NZ-OG 3.09Å; K532-D558 HydrophobicContact CD-CB 4.02Å; K532-D558 VanDerWaalsContact CD-OD1 3.32Å; K532-D558 WeakPolarHBondContact CD-OD1 3.49Å; K532-D558 WeakPolarHBondContact CD-OD2 3.32Å; K532-D558 IonicContact NZ-OD1 3.33Å; K532-D558 PolarHBondContact NZ-OD1 2.85Å; K532-D558 IonicContact NZ-OD2 2.9Å; K532-T582 HydrophobicContact CG-CG2 4.42Å
533L94.5Very high95.7Very high71 Ų7129.8 Ų29.837%0.37215%0.146SC..Hα-helixtrans-64.5-40177.4179.257.3000111.3D483 T531 C535 D536 N537D483-L533 HydrophobicContact CB-CD2 3.89Å; T531-L533 VanDerWaalsContact C-N 3.29Å; T531-L533 PolarHBondContact O-N 3.2Å; L533-C535 VanDerWaalsContact C-N 3.31Å; L533-C535 PolarHBondContact O-N 3.17Å; L533-D536 PolarHBondContact O-N 3.11Å; L533-N537 WeakPolarHBondContact O-CB 3.26Å; L533-N537 VanDerWaalsContact O-CG 3.22Å; L533-N537 PolarHBondContact O-N 3.36Å; L533-N537 PolarHBondContact O-ND2 3.41Å
534D97Very high95.8Very high37 Ų3731.1 Ų31.120%0.19815%0.145CC..Hα-helixtrans-68.5-30.7175.8-62.8-42.4000112.4C529 T531 K532 M538C529-D534 HydrophobicContact CB-CB 3.75Å; T531-D534 WeakPolarHBondContact CB-OD2 3.47Å; T531-D534 PolarHBondContact O-N 3.23Å; T531-D534 PolarHBondContact OG1-N 2.87Å; T531-D534 VanDerWaalsContact OG1-N 3.1Å; T531-D534 PolarHBondContact OG1-OD2 2.87Å; K532-D534 VanDerWaalsContact C-N 3.34Å; D534-M538 VanDerWaalsContact O-CB 3.3Å; D534-M538 WeakPolarHBondContact O-CB 3.39Å; D534-M538 PolarHBondContact O-N 2.9Å
535C97.6Very high95.8Very high0 Ų030.7 Ų30.70%015%0.149CC..Hα-helixtrans-60.6-50.9169.3-64.40000110.8T531 K532 L533 N537 M538 E539 C554 I580 C581T531-C535 PolarHBondContact O-N 3.49Å; T531-C535 VanDerWaalsContact O-N 3.08Å; T531-C535 PolarHBondContact O-SG 2.76Å; T531-C535 VanDerWaalsContact O-SG 3.39Å; K532-C535 WeakPolarHBondContact O-CB 3.42Å; K532-C535 PolarHBondContact O-N 2.98Å; L533-C535 VanDerWaalsContact C-N 3.31Å; L533-C535 PolarHBondContact O-N 3.17Å; C535-N537 PolarHBondContact O-N 2.89Å; C535-M538 PolarHBondContact O-N 3.43Å; C535-E539 PolarHBondContact O-N 3.38Å; C535-C554 PolarHBondContact O-SG 3.39Å; C535-I580 HydrophobicContact CB-CG2 3.83Å; C535-C581 VanDerWaalsContact SG-C 3.56Å
536D97.8Very high95Very high48 Ų4831.1 Ų31.126%0.25715%0.153SC..Hα-helixtrans-60.7-45.1-179.7-64-24000111.9K532 L533 M538 E539 E540 H556 R559K532-D536 PolarHBondContact O-N 2.86Å; K532-D536 VanDerWaalsContact O-N 3.12Å; L533-D536 PolarHBondContact O-N 3.11Å; D536-M538 VanDerWaalsContact C-N 3.31Å; D536-M538 PolarHBondContact O-N 2.91Å; D536-E539 PolarHBondContact O-N 3.36Å; D536-E540 PolarHBondContact O-N 3.32Å; D536-H556 IonicContact OD1-CD2 2.77Å; D536-H556 IonicContact OD1-CE1 3.57Å; D536-H556 PolarHBondContact OD1-CE1 2.69Å; D536-H556 IonicContact OD1-NE2 3.43Å; D536-H556 PolarHBondContact OD1-NE2 3.02Å; D536-H556 IonicContact OD2-CE1 3.62Å; D536-H556 IonicContact OD2-NE2 2.94Å; D536-R559 IonicContact OD1-CZ 3.62Å; D536-R559 IonicContact OD1-NE 3.71Å; D536-R559 PolarHBondContact OD1-NE 3.49Å; D536-R559 IonicContact OD1-NH2 2.8Å; D536-R559 PolarHBondContact OD1-NH2 3.34Å
537N97.9Very high94.3Very high5 Ų541 Ų413%0.02720%0.196CC..Hα-helixtrans-60.2-40.7176.6-73.8-22.2000111.8I480 R481 T482 L533 C535 W541I480-N537 HydrophobicContact CD1-CB 4.44Å; I480-N537 HydrophobicContact CG1-CB 4.24Å; R481-N537 WeakPolarHBondContact CD-OD1 3.49Å; R481-N537 VanDerWaalsContact O-CB 3.28Å; R481-N537 WeakPolarHBondContact O-CB 3.24Å; R481-N537 PolarHBondContact O-ND2 3.16Å; R481-N537 VanDerWaalsContact O-ND2 3.16Å; T482-N537 PolarHBondContact O-ND2 2.97Å; L533-N537 WeakPolarHBondContact O-CB 3.26Å; L533-N537 VanDerWaalsContact O-CG 3.22Å; L533-N537 PolarHBondContact O-N 3.36Å; L533-N537 PolarHBondContact O-ND2 3.41Å; C535-N537 PolarHBondContact O-N 2.89Å; N537-W541 VanDerWaalsContact O-CB 3.25Å; N537-W541 WeakPolarHBondContact O-CB 3.3Å; N537-W541 PolarHBondContact O-N 2.63Å
538M97.8Very high93.5Very high2 Ų243.6 Ų43.61%0.0122%0.223CC..Hα-helixtrans-70.3-37.7177.8-17262.482.500112I480 A513 I527 D534 C535 D536 W541 L542 I580 V600I480-M538 HydrophobicContact CD1-CB 4.24Å; I480-M538 HydrophobicContact CD1-CE 3.97Å; I480-M538 HydrophobicContact CD1-SD 3.85Å; A513-M538 HydrophobicContact CB-CE 3.75Å; A513-M538 HydrophobicContact CB-SD 4.28Å; I527-M538 HydrophobicContact CG2-CG 4.38Å; D534-M538 VanDerWaalsContact O-CB 3.3Å; D534-M538 WeakPolarHBondContact O-CB 3.39Å; D534-M538 PolarHBondContact O-N 2.9Å; C535-M538 PolarHBondContact O-N 3.43Å; D536-M538 VanDerWaalsContact C-N 3.31Å; D536-M538 PolarHBondContact O-N 2.91Å; M538-W541 PolarHBondContact O-N 3.1Å; M538-L542 HydrophobicContact CG-CD1 4.11Å; M538-L542 HydrophobicContact CG-CG 4.27Å; M538-L542 WeakPolarHBondContact O-CB 3.15Å; M538-L542 WeakPolarHBondContact O-CG 3.27Å; M538-L542 PolarHBondContact O-N 2.86Å; M538-L542 HydrophobicContact SD-CD1 4.34Å; M538-L542 HydrophobicContact SD-CD2 4.39Å; M538-L542 HydrophobicContact SD-CG 4.07Å; M538-I580 HydrophobicContact CB-CD1 4.16Å; M538-I580 HydrophobicContact CB-CG2 4.3Å; M538-I580 HydrophobicContact CG-CD1 3.98Å; M538-I580 HydrophobicContact CG-CG1 4.4Å; M538-V600 HydrophobicContact CE-CB 4.27Å; M538-V600 HydrophobicContact CE-CG1 3.67Å; M538-V600 HydrophobicContact CE-CG2 3.55Å
539E97.3Very high93Very high32 Ų3249 Ų4915%0.1525%0.248CC..Hα-helixtrans-63.6-47.1175.1-179.3-175.9-114.300111.4C535 D536 W541 N543 V553 C554 R559 I580C535-E539 PolarHBondContact O-N 3.38Å; D536-E539 PolarHBondContact O-N 3.36Å; E539-W541 VanDerWaalsContact C-N 3.3Å; E539-W541 PolarHBondContact O-N 3.21Å; E539-N543 WeakPolarHBondContact CG-ND2 3.29Å; E539-N543 VanDerWaalsContact O-CB 3.28Å; E539-N543 WeakPolarHBondContact O-CB 3.35Å; E539-N543 PolarHBondContact O-N 3.32Å; E539-N543 VanDerWaalsContact O-N 3.09Å; E539-N543 PolarHBondContact O-ND2 3.34Å; E539-V553 VanDerWaalsContact OE1-CA 3.25Å; E539-V553 WeakPolarHBondContact OE1-CA 2.76Å; E539-C554 WeakPolarHBondContact CB-SG 3.43Å; E539-C554 PolarHBondContact OE1-N 2.74Å; E539-R559 IonicContact OE2-CZ 3.5Å; E539-R559 IonicContact OE2-NH1 3.48Å; E539-R559 PolarHBondContact OE2-NH1 2.89Å; E539-R559 IonicContact OE2-NH2 3.34Å; E539-R559 PolarHBondContact OE2-NH2 3Å; E539-I580 HydrophobicContact CB-CD1 3.84Å
540E96.4Very high92.9Very high82 Ų8249.5 Ų49.538%0.38325%0.25SC..Hα-helixtrans-58.7-44.9175.4-167.7-164.3138.400110.8D536 R544D536-E540 PolarHBondContact O-N 3.32Å; E540-R544 VanDerWaalsContact O-CB 3.25Å; E540-R544 WeakPolarHBondContact O-CB 3.39Å; E540-R544 PolarHBondContact O-N 3.36Å; E540-R544 IonicContact OE1-CZ 3.86Å; E540-R544 IonicContact OE1-NH1 2.79Å; E540-R544 PolarHBondContact OE1-NH1 2.98Å
541W96.4Very high92.9Very high5 Ų549.4 Ų49.42%0.01925%0.254CS..Hα-helixtrans-64.3-52.2-178.2178.7-122.9000113.2H479 I480 G510 E511 L514 N537 M538 E539 N543 R544 C545H479-W541 VanDerWaalsContact C-CE3 3.46Å; H479-W541 VanDerWaalsContact CA-CH2 3.4Å; H479-W541 VanDerWaalsContact CA-CZ3 3.49Å; H479-W541 VanDerWaalsContact O-CZ3 3.3Å; H479-W541 WeakPolarHBondContact O-CZ3 3.42Å; I480-W541 HydrophobicContact CB-CB 4.05Å; I480-W541 HydrophobicContact CB-CD2 3.92Å; I480-W541 HydrophobicContact CB-CE3 4.46Å; I480-W541 HydrophobicContact CB-CG 3.72Å; I480-W541 HydrophobicContact CD1-CB 3.93Å; I480-W541 HydrophobicContact CD1-CG 4.12Å; I480-W541 HydrophobicContact CG1-CB 3.79Å; I480-W541 HydrophobicContact CG1-CG 3.99Å; G510-W541 PolarHBondContact O-NE1 3.05Å; E511-W541 WeakPolarHBondContact OE1-CZ2 3.23Å; L514-W541 HydrophobicContact CD1-CZ2 3.59Å; N537-W541 VanDerWaalsContact O-CB 3.25Å; N537-W541 WeakPolarHBondContact O-CB 3.3Å; N537-W541 PolarHBondContact O-N 2.63Å; M538-W541 PolarHBondContact O-N 3.1Å; E539-W541 VanDerWaalsContact C-N 3.3Å; E539-W541 PolarHBondContact O-N 3.21Å; W541-N543 PolarHBondContact O-N 2.98Å; W541-R544 PolarHBondContact O-N 2.72Å; W541-C545 VanDerWaalsContact CE2-SG 3.53Å; W541-C545 VanDerWaalsContact CE3-SG 3.58Å; W541-C545 WeakPolarHBondContact CH2-SG 3.43Å; W541-C545 WeakPolarHBondContact CZ2-SG 3.28Å; W541-C545 WeakPolarHBondContact CZ3-SG 3.43Å; W541-C545 WeakPolarHBondContact O-CB 3.3Å; W541-C545 PolarHBondContact O-N 2.9Å; W541-C545 PolarHBondContact O-SG 3.39Å; W541-C545 VanDerWaalsContact O-SG 3.36Å
542L96.3Very high93Very high0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-63.9-43.3-179.1-69.1-177.6000111.6L514 I517 I527 M538 R544 C545 G546 C552 F578 I580L514-L542 HydrophobicContact CD2-CD2 3.45Å; L514-L542 VanDerWaalsContact CD2-CD2 3.45Å; L514-L542 HydrophobicContact CG-CD2 4.01Å; I517-L542 HydrophobicContact CD1-CD1 4.42Å; I517-L542 HydrophobicContact CD1-CD2 3.92Å; I527-L542 HydrophobicContact CD1-CD1 3.66Å; M538-L542 HydrophobicContact CG-CD1 4.11Å; M538-L542 HydrophobicContact CG-CG 4.27Å; M538-L542 WeakPolarHBondContact O-CB 3.15Å; M538-L542 WeakPolarHBondContact O-CG 3.27Å; M538-L542 PolarHBondContact O-N 2.86Å; M538-L542 HydrophobicContact SD-CD1 4.34Å; M538-L542 HydrophobicContact SD-CD2 4.39Å; M538-L542 HydrophobicContact SD-CG 4.07Å; L542-R544 VanDerWaalsContact C-N 3.31Å; L542-R544 PolarHBondContact O-N 3.34Å; L542-C545 PolarHBondContact O-N 2.7Å; L542-G546 PolarHBondContact O-N 2.89Å; L542-C552 HydrophobicContact CD1-CB 4.41Å; L542-F578 HydrophobicContact CD1-CD2 4.15Å; L542-I580 HydrophobicContact CD1-CD1 4.23Å
543N94Very high93.2Very high69 Ų6945.2 Ų45.237%0.36924%0.235SC..Hα-helixtrans-62.1-38.8177-75.3-38.3000111.9E539 W541 C552E539-N543 WeakPolarHBondContact CG-ND2 3.29Å; E539-N543 VanDerWaalsContact O-CB 3.28Å; E539-N543 WeakPolarHBondContact O-CB 3.35Å; E539-N543 PolarHBondContact O-N 3.32Å; E539-N543 VanDerWaalsContact O-N 3.09Å; E539-N543 PolarHBondContact O-ND2 3.34Å; W541-N543 PolarHBondContact O-N 2.98Å; N543-C552 VanDerWaalsContact CG-SG 3.53Å; N543-C552 PolarHBondContact ND2-SG 2.92Å; N543-C552 VanDerWaalsContact ND2-SG 3.42Å; N543-C552 PolarHBondContact OD1-SG 3.11Å; N543-C552 VanDerWaalsContact OD1-SG 3.4Å
544R93.2Very high93.2Very high112 Ų11241.9 Ų41.942%0.42322%0.217SC..Hα-helixtrans-67.5-45.1175.8179.9166.864.3-142.65.3112.7H479 E540 W541 L542H479-R544 PolarHBondContact O-NH2 2.62Å; E540-R544 VanDerWaalsContact O-CB 3.25Å; E540-R544 WeakPolarHBondContact O-CB 3.39Å; E540-R544 PolarHBondContact O-N 3.36Å; E540-R544 IonicContact OE1-CZ 3.86Å; E540-R544 IonicContact OE1-NH1 2.79Å; E540-R544 PolarHBondContact OE1-NH1 2.98Å; W541-R544 PolarHBondContact O-N 2.72Å; L542-R544 VanDerWaalsContact C-N 3.31Å; L542-R544 PolarHBondContact O-N 3.34Å
545C90.9Very high93Very high39 Ų3940.1 Ų40.126%0.26421%0.208SC..Hα-helixtrans-74.3-29.4-176.1-70.90000113.8L514 W541 L542 Y550L514-C545 HydrophobicContact CD1-CB 3.81Å; L514-C545 HydrophobicContact CD2-CB 4.11Å; W541-C545 VanDerWaalsContact CE2-SG 3.53Å; W541-C545 VanDerWaalsContact CE3-SG 3.58Å; W541-C545 WeakPolarHBondContact CH2-SG 3.43Å; W541-C545 WeakPolarHBondContact CZ2-SG 3.28Å; W541-C545 WeakPolarHBondContact CZ3-SG 3.43Å; W541-C545 WeakPolarHBondContact O-CB 3.3Å; W541-C545 PolarHBondContact O-N 2.9Å; W541-C545 PolarHBondContact O-SG 3.39Å; W541-C545 VanDerWaalsContact O-SG 3.36Å; L542-C545 PolarHBondContact O-N 2.7Å; C545-Y550 HydrophobicContact CB-CD2 4.3Å; C545-Y550 HydrophobicContact CB-CE2 4.35Å
546G79Confident92.6Very high8 Ų840.1 Ų40.18%0.08221%0.208CC..Hα-helixtrans-85-16.4-171.500000115.5L542 G548 Q549L542-G546 PolarHBondContact O-N 2.89Å; G546-G548 PolarHBondContact O-N 2.69Å; G546-G548 VanDerWaalsContact O-N 3.08Å; G546-Q549 WeakPolarHBondContact O-CB 3.35Å; G546-Q549 PolarHBondContact O-N 3.31Å
547K79.7Confident92Very high210 Ų21041.1 Ų41.191%0.91322%0.219SC*.THydrogen-bonded Turntrans44.639.2-167-61.6-177.5178.3-1800112
548G80.7Confident91.5Very high54 Ų5446 Ų4656%0.55725%0.245SC*.THydrogen-bonded Turntrans96.1-19.8-174.100000116.1G546 Y550 S551G546-G548 PolarHBondContact O-N 2.69Å; G546-G548 VanDerWaalsContact O-N 3.08Å; G548-Y550 VanDerWaalsContact C-N 3.26Å; G548-Y550 PolarHBondContact O-N 3.27Å; G548-S551 PolarHBondContact O-N 3.33Å
549Q88.3Confident91.1Very high116 Ų11648 Ų4854%0.54225%0.252SS..THydrogen-bonded Turntrans-64.2-29.3178.8-170.3-177.42000113.3G546 R577G546-Q549 WeakPolarHBondContact O-CB 3.35Å; G546-Q549 PolarHBondContact O-N 3.31Å; Q549-R577 WeakPolarHBondContact O-CD 3.4Å; Q549-R577 PolarHBondContact O-NH1 2.69Å
550Y94.1Very high90.8Very high11 Ų1153.9 Ų53.94%0.04327%0.273CS..THydrogen-bonded Turntrans-109.744.7-177.4-51.9-36.2000111.3L514 I517 R518 C545 G548 C552 F578L514-Y550 HydrophobicContact CD2-CD2 3.65Å; L514-Y550 HydrophobicContact CD2-CE2 3.53Å; I517-Y550 HydrophobicContact CG2-CD1 4.13Å; I517-Y550 HydrophobicContact CG2-CE1 3.97Å; R518-Y550 WeakPolarHBondContact CG-OH 3.44Å; R518-Y550 PolarHBondContact NE-OH 3.07Å; C545-Y550 HydrophobicContact CB-CD2 4.3Å; C545-Y550 HydrophobicContact CB-CE2 4.35Å; G548-Y550 VanDerWaalsContact C-N 3.26Å; G548-Y550 PolarHBondContact O-N 3.27Å; Y550-C552 PolarHBondContact O-N 3.13Å; Y550-F578 AromaticContact CD1-CE2 4Å; Y550-F578 HydrophobicContact CD1-CE2 4Å; Y550-F578 HydrophobicContact CG-CE2 4.21Å
551S95Very high90.1Very high31 Ų3151.8 Ų51.822%0.21727%0.267CS..  trans-53.9122.7179.358.80000110.8G548 R577 F578G548-S551 PolarHBondContact O-N 3.33Å; S551-R577 PolarHBondContact O-N 2.88Å; S551-R577 PolarHBondContact OG-N 3.18Å; S551-F578 PolarHBondContact O-N 3.17Å
552C96.7Very high89.6Confident8 Ų856 Ų565%0.05429%0.289CS..EExtended strand (participates in β ladder)trans-142.9157-173.263.80000111.7L542 N543 Y550 F578 I580L542-C552 HydrophobicContact CD1-CB 4.41Å; N543-C552 VanDerWaalsContact CG-SG 3.53Å; N543-C552 PolarHBondContact ND2-SG 2.92Å; N543-C552 VanDerWaalsContact ND2-SG 3.42Å; N543-C552 PolarHBondContact OD1-SG 3.11Å; N543-C552 VanDerWaalsContact OD1-SG 3.4Å; Y550-C552 PolarHBondContact O-N 3.13Å; C552-F578 WeakPolarHBondContact CA-O 3.33Å; C552-F578 HydrophobicContact CB-CB 3.75Å; C552-F578 HydrophobicContact CB-CD2 4.34Å; C552-I580 HydrophobicContact CB-CD1 4.04Å
553V95.9Very high89.4Confident10 Ų1057.2 Ų57.26%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-139.6151.6174.7-66.30000111E539 N567 L570 V576 F578 L579 I580E539-V553 VanDerWaalsContact OE1-CA 3.25Å; E539-V553 WeakPolarHBondContact OE1-CA 2.76Å; V553-N567 HydrophobicContact CB-CB 3.8Å; V553-N567 HydrophobicContact CG1-CB 4.36Å; V553-N567 HydrophobicContact CG2-CB 3.74Å; V553-L570 HydrophobicContact CG1-CD1 4.34Å; V553-V576 HydrophobicContact CG1-CG1 4.08Å; V553-V576 HydrophobicContact CG1-CG2 4.23Å; V553-V576 HydrophobicContact CG2-CG2 3.77Å; V553-F578 PolarHBondContact N-O 3.36Å; V553-L579 HydrophobicContact CG2-CD1 3.75Å; V553-I580 PolarHBondContact O-N 3.37Å
554C95.6Very high89.2Confident0 Ų055 Ų550%028%0.282CS..EExtended strand (participates in β ladder)trans-94.9148.1175.4-79.50000114.8C535 E539 R559 N567 I580C535-C554 PolarHBondContact O-SG 3.39Å; E539-C554 WeakPolarHBondContact CB-SG 3.43Å; E539-C554 PolarHBondContact OE1-N 2.74Å; C554-R559 HydrophobicContact CB-CG 4.49Å; C554-N567 PolarHBondContact O-ND2 3.17Å; C554-I580 CarbonylContact C-O 3.55Å; C554-I580 WeakPolarHBondContact CA-O 3.35Å
555L92Very high88.8Confident0 Ų056.5 Ų56.50%029%0.291CS..EExtended strand (participates in β ladder)trans-133.9102.5169.2-167.785.3000110.1R564 L579 I580 C581 A585 I589L555-R564 HydrophobicContact CD1-CB 3.7Å; L555-R564 HydrophobicContact CD1-CG 4.11Å; L555-L579 HydrophobicContact CB-CD1 3.97Å; L555-I580 PolarHBondContact N-O 3.34Å; L555-C581 HydrophobicContact CB-CB 4.21Å; L555-C581 WeakPolarHBondContact O-CA 3.07Å; L555-C581 WeakPolarHBondContact O-CB 3.39Å; L555-A585 HydrophobicContact CD2-CB 4.16Å; L555-A585 WeakPolarHBondContact CD2-O 3.38Å; L555-A585 HydrophobicContact CG-CB 4.14Å; L555-A585 WeakPolarHBondContact O-CB 3.31Å; L555-I589 HydrophobicContact CD2-CD1 3.67Å; L555-I589 HydrophobicContact CD2-CG1 3.74Å
556H90.8Very high89Confident1 Ų160.7 Ų60.71%0.00530%0.302CS..SBendtrans-156168.1171.359.591000110.6K532 D536 D558 R559 R564 T582K532-H556 HydrophobicContact CB-CB 4.37Å; K532-H556 WeakPolarHBondContact CB-ND1 3.35Å; K532-H556 HydrophobicContact CG-CB 4.04Å; D536-H556 IonicContact OD1-CD2 2.77Å; D536-H556 IonicContact OD1-CE1 3.57Å; D536-H556 PolarHBondContact OD1-CE1 2.69Å; D536-H556 IonicContact OD1-NE2 3.43Å; D536-H556 PolarHBondContact OD1-NE2 3.02Å; D536-H556 IonicContact OD2-CE1 3.62Å; D536-H556 IonicContact OD2-NE2 2.94Å; H556-D558 PolarHBondContact ND1-N 2.81Å; H556-D558 PolarHBondContact O-N 2.94Å; H556-D558 VanDerWaalsContact O-N 3.14Å; H556-R559 VanDerWaalsContact NE2-CG 3.35Å; H556-R559 WeakPolarHBondContact NE2-CG 3.35Å; H556-R559 PolarHBondContact NE2-NE 2.82Å; H556-R559 PolarHBondContact O-N 3.38Å; H556-R559 VanDerWaalsContact O-N 3.15Å; H556-R564 VanDerWaalsContact O-CD 3.27Å; H556-R564 WeakPolarHBondContact O-CD 3.32Å; H556-R564 PolarHBondContact O-NE 2.77Å; H556-T582 HydrophobicContact CB-CG2 4.2Å
557S83.7Confident89.6Confident68 Ų6860.4 Ų60.448%0.47630%0.298SS..THydrogen-bonded Turntrans-68.5-13.4-16874.70000116K532K532-S557 WeakPolarHBondContact CE-OG 3.06Å; K532-S557 PolarHBondContact NZ-OG 3.09Å
558D87.8Confident90.1Very high107 Ų10751.6 Ų51.657%0.57226%0.261SS*.THydrogen-bonded Turntrans-88.7-13.5178.2-69.23.4000111.8K532 H556K532-D558 HydrophobicContact CD-CB 4.02Å; K532-D558 VanDerWaalsContact CD-OD1 3.32Å; K532-D558 WeakPolarHBondContact CD-OD1 3.49Å; K532-D558 WeakPolarHBondContact CD-OD2 3.32Å; K532-D558 IonicContact NZ-OD1 3.33Å; K532-D558 PolarHBondContact NZ-OD1 2.85Å; K532-D558 IonicContact NZ-OD2 2.9Å; H556-D558 PolarHBondContact ND1-N 2.81Å; H556-D558 PolarHBondContact O-N 2.94Å; H556-D558 VanDerWaalsContact O-N 3.14Å
559R90.2Very high90.5Very high44 Ų4453.4 Ų53.417%0.16626%0.255CS..SBendtrans-73.4147.2167.4-60.1-50-174.3123.4-2.9110.1D536 E539 C554 H556 E563 R564D536-R559 IonicContact OD1-CZ 3.62Å; D536-R559 IonicContact OD1-NE 3.71Å; D536-R559 PolarHBondContact OD1-NE 3.49Å; D536-R559 IonicContact OD1-NH2 2.8Å; D536-R559 PolarHBondContact OD1-NH2 3.34Å; E539-R559 IonicContact OE2-CZ 3.5Å; E539-R559 IonicContact OE2-NH1 3.48Å; E539-R559 PolarHBondContact OE2-NH1 2.89Å; E539-R559 IonicContact OE2-NH2 3.34Å; E539-R559 PolarHBondContact OE2-NH2 3Å; C554-R559 HydrophobicContact CB-CG 4.49Å; H556-R559 VanDerWaalsContact NE2-CG 3.35Å; H556-R559 WeakPolarHBondContact NE2-CG 3.35Å; H556-R559 PolarHBondContact NE2-NE 2.82Å; H556-R559 PolarHBondContact O-N 3.38Å; H556-R559 VanDerWaalsContact O-N 3.15Å; R559-E563 IonicContact CZ-OE1 3.78Å; R559-E563 IonicContact NH1-OE1 2.83Å; R559-E563 PolarHBondContact NH1-OE1 2.83Å; R559-R564 HydrophobicContact CB-CG 3.67Å; R559-R564 WeakPolarHBondContact O-CD 3.22Å
560R89.3Confident90.8Very high156 Ų15649.7 Ų49.759%0.58924%0.238SC*.  trans-65.1148.5-179.7-57.1-170.8-57.1-122.9-6.4110.5D562 E563 R564R560-D562 WeakPolarHBondContact CB-OD1 3.41Å; R560-D562 IonicContact NE-OD1 3.79Å; R560-D562 IonicContact NE-OD2 2.65Å; R560-D562 IonicContact NH2-OD2 2.68Å; R560-D562 PolarHBondContact O-N 3.4Å; R560-E563 HydrophobicContact CB-CB 4.17Å; R560-E563 PolarHBondContact N-OE2 2.94Å; R560-E563 WeakPolarHBondContact O-CB 3.4Å; R560-E563 PolarHBondContact O-N 2.87Å; R560-E563 VanDerWaalsContact O-N 3.1Å; R560-R564 WeakPolarHBondContact O-CG 3.4Å; R560-R564 PolarHBondContact O-N 2.77Å
561P81.6Confident90.7Very high38 Ų3849.2 Ų49.225%0.24724%0.236CC..Hα-helixtrans-59.1-40.1-178.3-27.435000115.8R295 E563 R564 K565R295-P561 VanDerWaalsContact CZ-CB 3.45Å; R295-P561 VanDerWaalsContact NH1-CG 3.25Å; P561-E563 VanDerWaalsContact C-N 3.3Å; P561-E563 PolarHBondContact O-N 2.83Å; P561-R564 PolarHBondContact O-N 2.94Å; P561-K565 PolarHBondContact O-N 3.45Å
562D86.9Confident90.4Very high93 Ų9351.7 Ų51.750%0.49724%0.243SC..Hα-helixtrans-61.4-40.6174.660.1-58.9000111.5R560 R566R560-D562 WeakPolarHBondContact CB-OD1 3.41Å; R560-D562 IonicContact NE-OD1 3.79Å; R560-D562 IonicContact NE-OD2 2.65Å; R560-D562 IonicContact NH2-OD2 2.68Å; R560-D562 PolarHBondContact O-N 3.4Å; D562-R566 VanDerWaalsContact O-CB 3.29Å; D562-R566 WeakPolarHBondContact O-CB 3.39Å; D562-R566 PolarHBondContact O-N 3.47Å
563E92.9Very high90Very high27 Ų2756.3 Ų56.313%0.12626%0.264CS..Hα-helixtrans-65.3-46175.8-178.6-172.7175.400111.4R559 R560 P561 K565 R566 N567R559-E563 IonicContact CZ-OE1 3.78Å; R559-E563 IonicContact NH1-OE1 2.83Å; R559-E563 PolarHBondContact NH1-OE1 2.83Å; R560-E563 HydrophobicContact CB-CB 4.17Å; R560-E563 PolarHBondContact N-OE2 2.94Å; R560-E563 WeakPolarHBondContact O-CB 3.4Å; R560-E563 PolarHBondContact O-N 2.87Å; R560-E563 VanDerWaalsContact O-N 3.1Å; P561-E563 VanDerWaalsContact C-N 3.3Å; P561-E563 PolarHBondContact O-N 2.83Å; E563-K565 PolarHBondContact O-N 3.44Å; E563-R566 PolarHBondContact O-N 2.85Å; E563-N567 VanDerWaalsContact O-CB 3.3Å; E563-N567 WeakPolarHBondContact O-CB 3.48Å; E563-N567 PolarHBondContact O-N 2.83Å; E563-N567 PolarHBondContact O-OD1 2.87Å
564R88.9Confident89.7Confident22 Ų2261 Ų618%0.08329%0.289CS..Hα-helixtrans-59.1-46.8177.5-68.9176.476.9-152.1-1.9111.5E296 L555 H556 R559 R560 P561 N567 L568E296-R564 IonicContact OE1-CZ 2.81Å; E296-R564 IonicContact OE1-NE 3.7Å; E296-R564 PolarHBondContact OE1-NE 3.42Å; E296-R564 IonicContact OE1-NH1 3.54Å; E296-R564 PolarHBondContact OE1-NH1 3.13Å; E296-R564 IonicContact OE1-NH2 2.73Å; E296-R564 PolarHBondContact OE1-NH2 2.9Å; E296-R564 IonicContact OE2-CZ 3.74Å; E296-R564 IonicContact OE2-NH1 2.74Å; E296-R564 PolarHBondContact OE2-NH1 3.07Å; E296-R564 IonicContact OE2-NH2 3.64Å; E296-R564 PolarHBondContact OE2-NH2 2.94Å; L555-R564 HydrophobicContact CD1-CB 3.7Å; L555-R564 HydrophobicContact CD1-CG 4.11Å; H556-R564 VanDerWaalsContact O-CD 3.27Å; H556-R564 WeakPolarHBondContact O-CD 3.32Å; H556-R564 PolarHBondContact O-NE 2.77Å; R559-R564 HydrophobicContact CB-CG 3.67Å; R559-R564 WeakPolarHBondContact O-CD 3.22Å; R560-R564 WeakPolarHBondContact O-CG 3.4Å; R560-R564 PolarHBondContact O-N 2.77Å; P561-R564 PolarHBondContact O-N 2.94Å; R564-N567 PolarHBondContact O-N 2.87Å; R564-L568 WeakPolarHBondContact O-CB 3.05Å; R564-L568 PolarHBondContact O-N 2.93Å
565K85.5Confident89.6Confident144 Ų14467.2 Ų67.263%0.62632%0.316SS*.Hα-helixtrans-60.9-45.3176-173.7174.4-175.9171.60111.6P561 E563 H569P561-K565 PolarHBondContact O-N 3.45Å; E563-K565 PolarHBondContact O-N 3.44Å; K565-H569 WeakPolarHBondContact O-CB 3.34Å; K565-H569 PolarHBondContact O-N 3.14Å
566R93.7Very high89.7Confident127 Ų12768 Ų6848%0.47932%0.321SS..Hα-helixtrans-61.3-47.2175.9-178.1-178.761.974.25.3111.5D562 E563 H569 L570D562-R566 VanDerWaalsContact O-CB 3.29Å; D562-R566 WeakPolarHBondContact O-CB 3.39Å; D562-R566 PolarHBondContact O-N 3.47Å; E563-R566 PolarHBondContact O-N 2.85Å; R566-H569 PolarHBondContact O-N 2.91Å; R566-L570 HydrophobicContact CG-CD1 4.35Å; R566-L570 HydrophobicContact CG-CG 4.49Å; R566-L570 WeakPolarHBondContact O-CG 3.38Å; R566-L570 PolarHBondContact O-N 3.18Å
567N93.6Very high89.9Confident2 Ų271.4 Ų71.41%0.01133%0.334CS..Hα-helixtrans-62.8-45.4-179.2-73.4-1.5000111.3V553 C554 E563 R564 H569 L570 F571V553-N567 HydrophobicContact CB-CB 3.8Å; V553-N567 HydrophobicContact CG1-CB 4.36Å; V553-N567 HydrophobicContact CG2-CB 3.74Å; C554-N567 PolarHBondContact O-ND2 3.17Å; E563-N567 VanDerWaalsContact O-CB 3.3Å; E563-N567 WeakPolarHBondContact O-CB 3.48Å; E563-N567 PolarHBondContact O-N 2.83Å; E563-N567 PolarHBondContact O-OD1 2.87Å; R564-N567 PolarHBondContact O-N 2.87Å; N567-H569 VanDerWaalsContact C-N 3.32Å; N567-H569 PolarHBondContact O-N 3.32Å; N567-L570 PolarHBondContact O-N 3.33Å; N567-F571 PolarHBondContact O-N 3.4Å
568L88.8Confident90.5Very high25 Ų2568.2 Ų68.213%0.13131%0.311CS..Hα-helixtrans-60.7-42.1174.3-177.261.2000111.5R564 F571 K572 L579 I589 V591R564-L568 WeakPolarHBondContact O-CB 3.05Å; R564-L568 PolarHBondContact O-N 2.93Å; L568-F571 PolarHBondContact O-N 2.87Å; L568-K572 HydrophobicContact CG-CD 4.33Å; L568-K572 WeakPolarHBondContact O-CB 3.47Å; L568-K572 WeakPolarHBondContact O-CG 3.42Å; L568-K572 PolarHBondContact O-N 2.99Å; L568-L579 HydrophobicContact CD1-CD2 4.12Å; L568-I589 HydrophobicContact CD1-CG1 4.38Å; L568-I589 HydrophobicContact CD1-CG2 4.08Å; L568-V591 HydrophobicContact CD1-CG2 3.86Å
569H90.1Very high90.9Very high92 Ų9263.1 Ų63.143%0.42628%0.284SS..Hα-helixtrans-64.3-44.2176.3-177.262.1000112.2K565 R566 N567 F571 K572 E573K565-H569 WeakPolarHBondContact O-CB 3.34Å; K565-H569 PolarHBondContact O-N 3.14Å; R566-H569 PolarHBondContact O-N 2.91Å; N567-H569 VanDerWaalsContact C-N 3.32Å; N567-H569 PolarHBondContact O-N 3.32Å; H569-F571 VanDerWaalsContact C-N 3.26Å; H569-F571 PolarHBondContact O-N 3.4Å; H569-K572 PolarHBondContact O-N 2.89Å; H569-E573 WeakPolarHBondContact CE1-CG 3.41Å; H569-E573 IonicContact CE1-OE1 3.98Å; H569-E573 PolarHBondContact CE1-OE1 2.96Å; H569-E573 IonicContact ND1-OE1 3Å; H569-E573 WeakPolarHBondContact O-CB 3.46Å; H569-E573 VanDerWaalsContact O-CG 3.3Å; H569-E573 WeakPolarHBondContact O-CG 3.01Å; H569-E573 PolarHBondContact O-N 3Å
570L93.9Very high91.3Very high38 Ų3861 Ų6120%0.19928%0.276CS..Hα-helixtrans-57.1-40.6174.8-70.8175.6000111.8V553 R566 N567 K575 V576V553-L570 HydrophobicContact CG1-CD1 4.34Å; R566-L570 HydrophobicContact CG-CD1 4.35Å; R566-L570 HydrophobicContact CG-CG 4.49Å; R566-L570 WeakPolarHBondContact O-CG 3.38Å; R566-L570 PolarHBondContact O-N 3.18Å; N567-L570 PolarHBondContact O-N 3.33Å; L570-K575 HydrophobicContact CB-CB 4.36Å; L570-K575 HydrophobicContact CD2-CB 3.91Å; L570-K575 HydrophobicContact CD2-CD 3.62Å; L570-K575 HydrophobicContact CD2-CG 4.4Å; L570-K575 WeakPolarHBondContact O-CB 3.42Å; L570-K575 PolarHBondContact O-N 3.32Å; L570-V576 HydrophobicContact CB-CG1 4.28Å; L570-V576 HydrophobicContact CB-CG2 4.01Å; L570-V576 PolarHBondContact O-N 2.83Å
571F92.4Very high91.5Very high0 Ų053.6 Ų53.60%025%0.248CC..Hα-helixtrans-73.6-38178.1-177.6-112.5000113.1R524 L526 N567 L568 H569 N574 V576 R577 L579 V591 I594R524-F571 HydrophobicContact CG-CE2 4.02Å; R524-F571 HydrophobicContact CG-CZ 4.24Å; R524-F571 PolarHBondContact NH2-O 3.26Å; L526-F571 HydrophobicContact CD2-CE1 4.09Å; L526-F571 HydrophobicContact CD2-CZ 4.33Å; L526-F571 HydrophobicContact CG-CZ 4.47Å; N567-F571 PolarHBondContact O-N 3.4Å; L568-F571 PolarHBondContact O-N 2.87Å; H569-F571 VanDerWaalsContact C-N 3.26Å; H569-F571 PolarHBondContact O-N 3.4Å; F571-N574 PolarHBondContact O-N 3.33Å; F571-V576 HydrophobicContact CB-CG2 3.93Å; F571-V576 HydrophobicContact CD2-CG2 4.29Å; F571-R577 WeakPolarHBondContact CE2-O 3.49Å; F571-L579 HydrophobicContact CB-CB 4.22Å; F571-L579 HydrophobicContact CB-CD2 4.29Å; F571-L579 HydrophobicContact CD1-CB 3.68Å; F571-L579 HydrophobicContact CD1-CD2 3.41Å; F571-L579 VanDerWaalsContact CD1-CD2 3.41Å; F571-L579 HydrophobicContact CD1-CG 4.16Å; F571-L579 HydrophobicContact CD2-CB 3.62Å; F571-L579 HydrophobicContact CE1-CB 3.77Å; F571-L579 HydrophobicContact CE1-CD2 3.8Å; F571-L579 HydrophobicContact CE1-CG 4.44Å; F571-L579 HydrophobicContact CE2-CB 3.74Å; F571-L579 HydrophobicContact CG-CB 3.57Å; F571-L579 HydrophobicContact CG-CD2 3.95Å; F571-L579 HydrophobicContact CG-CG 4.3Å; F571-L579 HydrophobicContact CZ-CB 3.81Å; F571-V591 HydrophobicContact CD1-CB 4.34Å; F571-V591 HydrophobicContact CD1-CG1 3.95Å; F571-V591 HydrophobicContact CD1-CG2 3.89Å; F571-V591 HydrophobicContact CE1-CB 4.08Å; F571-V591 HydrophobicContact CE1-CG1 3.62Å; F571-V591 HydrophobicContact CE1-CG2 4.11Å; F571-I594 HydrophobicContact CE1-CD1 3.63Å; F571-I594 HydrophobicContact CE1-CG1 4.48Å; F571-I594 HydrophobicContact CZ-CD1 3.8Å; F571-I594 HydrophobicContact CZ-CG1 4.44Å
572K87.4Confident92Very high83 Ų8352.5 Ų52.536%0.36124%0.24SC..Hα-helixtrans-60.6-44.6173.9-80.2-176.2-180-156.20111.6R524 L568 H569 N574 D590 V591R524-K572 PolarHBondContact NH2-O 2.9Å; L568-K572 HydrophobicContact CG-CD 4.33Å; L568-K572 WeakPolarHBondContact O-CB 3.47Å; L568-K572 WeakPolarHBondContact O-CG 3.42Å; L568-K572 PolarHBondContact O-N 2.99Å; H569-K572 PolarHBondContact O-N 2.89Å; K572-N574 PolarHBondContact O-N 3.48Å; K572-D590 WeakPolarHBondContact CE-O 3.42Å; K572-D590 PolarHBondContact NZ-O 2.91Å; K572-V591 HydrophobicContact CD-CG2 4.34Å; K572-V591 HydrophobicContact CG-CG2 3.66Å
573E89.7Confident92Very high106 Ų10649.3 Ų49.350%0.49522%0.223SC..THydrogen-bonded Turntrans-77.98.9-179.9-65.9-63.4147.500114.4H569 K575H569-E573 WeakPolarHBondContact CE1-CG 3.41Å; H569-E573 IonicContact CE1-OE1 3.98Å; H569-E573 PolarHBondContact CE1-OE1 2.96Å; H569-E573 IonicContact ND1-OE1 3Å; H569-E573 WeakPolarHBondContact O-CB 3.46Å; H569-E573 VanDerWaalsContact O-CG 3.3Å; H569-E573 WeakPolarHBondContact O-CG 3.01Å; H569-E573 PolarHBondContact O-N 3Å; E573-K575 HydrophobicContact CB-CD 4.12Å; E573-K575 HydrophobicContact CB-CG 4.02Å; E573-K575 PolarHBondContact O-N 3.1Å; E573-K575 VanDerWaalsContact O-N 3.1Å
574N89.7Confident91.1Very high108 Ų10850.8 Ų50.858%0.57823%0.234SC*.THydrogen-bonded Turntrans56.522.7-175.6-57.6-45.9000114.7R524 F571 K572 V576R524-N574 PolarHBondContact NE-OD1 3.21Å; R524-N574 PolarHBondContact NH1-OD1 3.4Å; R524-N574 PolarHBondContact NH2-OD1 3.21Å; F571-N574 PolarHBondContact O-N 3.33Å; K572-N574 PolarHBondContact O-N 3.48Å; N574-V576 VanDerWaalsContact C-N 3.33Å
575K93.2Very high90.3Very high131 Ų13149.9 Ų49.957%0.5723%0.232SC*.SBendtrans-78.1-22.1177.1-66.8176.4176.7172.30112.4L570 E573L570-K575 HydrophobicContact CB-CB 4.36Å; L570-K575 HydrophobicContact CD2-CB 3.91Å; L570-K575 HydrophobicContact CD2-CD 3.62Å; L570-K575 HydrophobicContact CD2-CG 4.4Å; L570-K575 WeakPolarHBondContact O-CB 3.42Å; L570-K575 PolarHBondContact O-N 3.32Å; E573-K575 HydrophobicContact CB-CD 4.12Å; E573-K575 HydrophobicContact CB-CG 4.02Å; E573-K575 PolarHBondContact O-N 3.1Å; E573-K575 VanDerWaalsContact O-N 3.1Å
576V94.3Very high89.7Confident17 Ų1743.2 Ų43.210%0.10320%0.203CC..SBendtrans-129.7147.4172.2-62.10000109.8V553 L570 F571 N574V553-V576 HydrophobicContact CG1-CG1 4.08Å; V553-V576 HydrophobicContact CG1-CG2 4.23Å; V553-V576 HydrophobicContact CG2-CG2 3.77Å; L570-V576 HydrophobicContact CB-CG1 4.28Å; L570-V576 HydrophobicContact CB-CG2 4.01Å; L570-V576 PolarHBondContact O-N 2.83Å; F571-V576 HydrophobicContact CB-CG2 3.93Å; F571-V576 HydrophobicContact CD2-CG2 4.29Å; N574-V576 VanDerWaalsContact C-N 3.33Å
577R94.4Very high88.6Confident72 Ų7237.7 Ų37.727%0.27218%0.182SC..SBendtrans-83.5-36-174.3-66.8-177.687.5-170.79.4112.5D523 R524 C525 Q549 S551 F571D523-R577 WeakPolarHBondContact O-CB 3.16Å; D523-R577 VanDerWaalsContact O-CG 3.31Å; D523-R577 WeakPolarHBondContact O-CG 3.07Å; D523-R577 PolarHBondContact O-NE 2.83Å; R524-R577 VanDerWaalsContact CA-O 3.26Å; R524-R577 WeakPolarHBondContact CA-O 3.33Å; C525-R577 PolarHBondContact N-O 2.83Å; C525-R577 VanDerWaalsContact N-O 3.07Å; Q549-R577 WeakPolarHBondContact O-CD 3.4Å; Q549-R577 PolarHBondContact O-NH1 2.69Å; S551-R577 PolarHBondContact O-N 2.88Å; S551-R577 PolarHBondContact OG-N 3.18Å; F571-R577 WeakPolarHBondContact CE2-O 3.49Å
578F96.6Very high87.1Confident0 Ų038 Ų380%019%0.186CC..EExtended strand (participates in β ladder)trans-122.7136.1-172.7-48.8-51.9000112.2I517 I522 C525 I527 L542 Y550 S551 C552 V553I517-F578 HydrophobicContact CD1-CD2 4.46Å; I517-F578 HydrophobicContact CD1-CE1 4.46Å; I517-F578 HydrophobicContact CD1-CE2 3.95Å; I517-F578 HydrophobicContact CD1-CZ 3.96Å; I517-F578 HydrophobicContact CG1-CE1 4.47Å; I517-F578 HydrophobicContact CG1-CZ 4.14Å; I517-F578 HydrophobicContact CG2-CE2 4.3Å; I517-F578 HydrophobicContact CG2-CZ 3.71Å; I522-F578 HydrophobicContact CG2-CE1 3.9Å; C525-F578 HydrophobicContact CB-CD1 3.47Å; C525-F578 VanDerWaalsContact CB-CD1 3.47Å; C525-F578 HydrophobicContact CB-CE1 3.85Å; C525-F578 WeakPolarHBondContact O-CA 3.47Å; I527-F578 HydrophobicContact CD1-CB 4.02Å; I527-F578 HydrophobicContact CD1-CG 4.24Å; L542-F578 HydrophobicContact CD1-CD2 4.15Å; Y550-F578 AromaticContact CD1-CE2 4Å; Y550-F578 HydrophobicContact CD1-CE2 4Å; Y550-F578 HydrophobicContact CG-CE2 4.21Å; S551-F578 PolarHBondContact O-N 3.17Å; C552-F578 WeakPolarHBondContact CA-O 3.33Å; C552-F578 HydrophobicContact CB-CB 3.75Å; C552-F578 HydrophobicContact CB-CD2 4.34Å; V553-F578 PolarHBondContact N-O 3.36Å
579L96Very high86.1Confident0 Ų037 Ų370%018%0.181CC..EExtended strand (participates in β ladder)trans-115.9114.8171.3177.164.1000108.7C525 L526 I527 V553 L555 L568 F571 I589C525-L579 PolarHBondContact O-N 2.7Å; L526-L579 WeakPolarHBondContact CA-O 3.34Å; L526-L579 HydrophobicContact CD2-CB 3.96Å; L526-L579 HydrophobicContact CD2-CD2 3.84Å; L526-L579 HydrophobicContact CD2-CG 4.01Å; I527-L579 PolarHBondContact N-O 3.3Å; V553-L579 HydrophobicContact CG2-CD1 3.75Å; L555-L579 HydrophobicContact CB-CD1 3.97Å; L568-L579 HydrophobicContact CD1-CD2 4.12Å; F571-L579 HydrophobicContact CB-CB 4.22Å; F571-L579 HydrophobicContact CB-CD2 4.29Å; F571-L579 HydrophobicContact CD1-CB 3.68Å; F571-L579 HydrophobicContact CD1-CD2 3.41Å; F571-L579 VanDerWaalsContact CD1-CD2 3.41Å; F571-L579 HydrophobicContact CD1-CG 4.16Å; F571-L579 HydrophobicContact CD2-CB 3.62Å; F571-L579 HydrophobicContact CE1-CB 3.77Å; F571-L579 HydrophobicContact CE1-CD2 3.8Å; F571-L579 HydrophobicContact CE1-CG 4.44Å; F571-L579 HydrophobicContact CE2-CB 3.74Å; F571-L579 HydrophobicContact CG-CB 3.57Å; F571-L579 HydrophobicContact CG-CD2 3.95Å; F571-L579 HydrophobicContact CG-CG 4.3Å; F571-L579 HydrophobicContact CZ-CB 3.81Å; L579-I589 HydrophobicContact CD2-CD1 3.72Å; L579-I589 HydrophobicContact CD2-CG2 4.3Å
580I97.5Very high84.9Confident0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-98.7127.6-177.3-54.9158000108.4I527 C535 M538 E539 L542 C552 V553 C554 L555I527-I580 HydrophobicContact CB-CB 4.5Å; I527-I580 HydrophobicContact CB-CG1 4.05Å; I527-I580 HydrophobicContact CD1-CG1 4.3Å; I527-I580 HydrophobicContact CG2-CG1 4.47Å; I527-I580 HydrophobicContact CG2-CG2 4.47Å; I527-I580 CarbonylContact O-C 3.51Å; I527-I580 VanDerWaalsContact O-CA 3.29Å; I527-I580 WeakPolarHBondContact O-CA 3.46Å; C535-I580 HydrophobicContact CB-CG2 3.83Å; M538-I580 HydrophobicContact CB-CD1 4.16Å; M538-I580 HydrophobicContact CB-CG2 4.3Å; M538-I580 HydrophobicContact CG-CD1 3.98Å; M538-I580 HydrophobicContact CG-CG1 4.4Å; E539-I580 HydrophobicContact CB-CD1 3.84Å; L542-I580 HydrophobicContact CD1-CD1 4.23Å; C552-I580 HydrophobicContact CB-CD1 4.04Å; V553-I580 PolarHBondContact O-N 3.37Å; C554-I580 CarbonylContact C-O 3.55Å; C554-I580 WeakPolarHBondContact CA-O 3.35Å; L555-I580 PolarHBondContact N-O 3.34Å
581C95.1Very high83.6Confident0 Ų034.6 Ų34.60%017%0.172CC..EExtended strand (participates in β ladder)trans-149.2164.8-172.859.40000113.9I527 F528 C529 C535 L555 A586 I589I527-C581 PolarHBondContact O-N 3.14Å; F528-C581 WeakPolarHBondContact CA-O 3.41Å; C529-C581 PolarHBondContact N-O 3.42Å; C535-C581 VanDerWaalsContact SG-C 3.56Å; L555-C581 HydrophobicContact CB-CB 4.21Å; L555-C581 WeakPolarHBondContact O-CA 3.07Å; L555-C581 WeakPolarHBondContact O-CB 3.39Å; C581-A586 HydrophobicContact CB-CB 4.44Å; C581-I589 HydrophobicContact CB-CD1 4.47Å
582T91.7Very high82.1Confident15 Ų1538.2 Ų38.29%0.09219%0.194CC..  trans-97.4160.7166.9550000109.3K532 H556 V584 A585 A586K532-T582 HydrophobicContact CG-CG2 4.42Å; H556-T582 HydrophobicContact CB-CG2 4.2Å; T582-V584 VanDerWaalsContact C-N 3.31Å; T582-V584 PolarHBondContact O-N 3.25Å; T582-A585 PolarHBondContact O-N 3.36Å; T582-A585 VanDerWaalsContact O-N 3.11Å; T582-A586 WeakPolarHBondContact O-CB 3.37Å; T582-A586 PolarHBondContact O-N 3.12Å
583D86.5Confident81.1Confident26 Ų2635.2 Ų35.214%0.13919%0.186CC..Hα-helixtrans-51.5-48179.3-66-69.2000113.1A585 A586 R587 R612D583-A585 VanDerWaalsContact C-N 3.29Å; D583-A585 PolarHBondContact O-N 2.79Å; D583-A586 PolarHBondContact O-N 2.93Å; D583-A586 VanDerWaalsContact O-N 3.13Å; D583-R587 WeakPolarHBondContact O-CG 3.38Å; D583-R587 PolarHBondContact O-N 2.86Å; D583-R587 VanDerWaalsContact O-N 3.11Å; D583-R612 IonicContact OD1-CZ 3.2Å; D583-R612 IonicContact OD1-NE 3.42Å; D583-R612 PolarHBondContact OD1-NE 2.73Å; D583-R612 IonicContact OD1-NH2 2.88Å; D583-R612 PolarHBondContact OD1-NH2 2.88Å; D583-R612 IonicContact OD2-CZ 3.99Å; D583-R612 IonicContact OD2-NE 2.85Å; D583-R612 IonicContact OD2-NH2 3.22Å; D583-R612 PolarHBondContact OD2-NH2 2.87Å
584V73.3Confident80.8Confident59 Ų5930.2 Ų30.236%0.35816%0.163SC..Hα-helixtrans-60.3-40.9-178.6177.70000111.5Q377 T582Q377-V584 HydrophobicContact CG-CG2 4.31Å; T582-V584 VanDerWaalsContact C-N 3.31Å; T582-V584 PolarHBondContact O-N 3.25Å
585A73.2Confident80.7Confident3 Ų325.8 Ų25.83%0.02514%0.14CC..Hα-helixtrans-78.3-25.9179.600000112.7L555 T582 D583 R587L555-A585 HydrophobicContact CD2-CB 4.16Å; L555-A585 WeakPolarHBondContact CD2-O 3.38Å; L555-A585 HydrophobicContact CG-CB 4.14Å; L555-A585 WeakPolarHBondContact O-CB 3.31Å; T582-A585 PolarHBondContact O-N 3.36Å; T582-A585 VanDerWaalsContact O-N 3.11Å; D583-A585 VanDerWaalsContact C-N 3.29Å; D583-A585 PolarHBondContact O-N 2.79Å; A585-R587 VanDerWaalsContact C-N 3.33Å
586A73.6Confident80.8Confident3 Ų320 Ų203%0.02512%0.115CC..Hα-helixtrans-74.8-24.3177.500000113.5F528 C581 T582 D583 G588 I589 R615F528-A586 HydrophobicContact CD1-CB 4.34Å; F528-A586 HydrophobicContact CE1-CB 3.25Å; F528-A586 HydrophobicContact CZ-CB 3.71Å; C581-A586 HydrophobicContact CB-CB 4.44Å; T582-A586 WeakPolarHBondContact O-CB 3.37Å; T582-A586 PolarHBondContact O-N 3.12Å; D583-A586 PolarHBondContact O-N 2.93Å; D583-A586 VanDerWaalsContact O-N 3.13Å; A586-G588 PolarHBondContact O-N 2.76Å; A586-I589 HydrophobicContact CB-CD1 4.08Å; A586-I589 WeakPolarHBondContact O-CB 3.32Å; A586-I589 PolarHBondContact O-N 3.08Å; A586-R615 PolarHBondContact O-NH2 3Å
587R70.8Confident80.8Confident12 Ų1219.2 Ų19.25%0.04511%0.11CC..THydrogen-bonded Turntrans-60.6119.1168.8-70179.6-168.2155.13.4109.4S294 L297 G373 D583 A585 N608S294-R587 PolarHBondContact OG-O 3.07Å; S294-R587 VanDerWaalsContact OG-O 3.07Å; L297-R587 HydrophobicContact CD1-CB 3.87Å; G373-R587 PolarHBondContact O-NH1 3.18Å; D583-R587 WeakPolarHBondContact O-CG 3.38Å; D583-R587 PolarHBondContact O-N 2.86Å; D583-R587 VanDerWaalsContact O-N 3.11Å; A585-R587 VanDerWaalsContact C-N 3.33Å; R587-N608 PolarHBondContact NH2-OD1 3.1Å
588G61.1Low81Confident9 Ų915.8 Ų15.89%0.09310%0.097CC..THydrogen-bonded Turntrans88.23.7-174.200000116.1L297 Q300 A586 D590L297-G588 VanDerWaalsContact CG-CA 3.48Å; Q300-G588 PolarHBondContact OE1-O 2.92Å; Q300-G588 VanDerWaalsContact OE1-O 3.07Å; A586-G588 PolarHBondContact O-N 2.76Å; G588-D590 PolarHBondContact O-N 2.64Å
589I68.4Low81.1Confident4 Ų415.8 Ų15.82%0.02110%0.097CC..  trans-6891.8162.9-62.7177.4000107.5L526 L555 L568 L579 C581 A586 V591 R615L526-I589 HydrophobicContact CD2-CD1 4.13Å; L555-I589 HydrophobicContact CD2-CD1 3.67Å; L555-I589 HydrophobicContact CD2-CG1 3.74Å; L568-I589 HydrophobicContact CD1-CG1 4.38Å; L568-I589 HydrophobicContact CD1-CG2 4.08Å; L579-I589 HydrophobicContact CD2-CD1 3.72Å; L579-I589 HydrophobicContact CD2-CG2 4.3Å; C581-I589 HydrophobicContact CB-CD1 4.47Å; A586-I589 HydrophobicContact CB-CD1 4.08Å; A586-I589 WeakPolarHBondContact O-CB 3.32Å; A586-I589 PolarHBondContact O-N 3.08Å; I589-V591 HydrophobicContact CG2-CB 3.63Å; I589-V591 HydrophobicContact CG2-CG2 3.28Å; I589-V591 PolarHBondContact O-N 3.1Å; I589-R615 PolarHBondContact O-NH1 2.74Å; I589-R615 VanDerWaalsContact O-NH1 3.12Å
590D64.9Low81.2Confident68 Ų6816.2 Ų16.236%0.36410%0.1SC..  trans-78.468.1164.2-177.224.6000109.3K572 G588K572-D590 WeakPolarHBondContact CE-O 3.42Å; K572-D590 PolarHBondContact NZ-O 2.91Å; G588-D590 PolarHBondContact O-N 2.64Å
591V66.9Low81.2Confident11 Ų1116.8 Ų16.87%0.06710%0.103CC..  trans-121.2110.9169.1-173.90000105.2L568 F571 K572 I589 I594L568-V591 HydrophobicContact CD1-CG2 3.86Å; F571-V591 HydrophobicContact CD1-CB 4.34Å; F571-V591 HydrophobicContact CD1-CG1 3.95Å; F571-V591 HydrophobicContact CD1-CG2 3.89Å; F571-V591 HydrophobicContact CE1-CB 4.08Å; F571-V591 HydrophobicContact CE1-CG1 3.62Å; F571-V591 HydrophobicContact CE1-CG2 4.11Å; K572-V591 HydrophobicContact CD-CG2 4.34Å; K572-V591 HydrophobicContact CG-CG2 3.66Å; I589-V591 HydrophobicContact CG2-CB 3.63Å; I589-V591 HydrophobicContact CG2-CG2 3.28Å; I589-V591 PolarHBondContact O-N 3.1Å; V591-I594 HydrophobicContact CB-CD1 3.91Å; V591-I594 HydrophobicContact CB-CG1 4.45Å; V591-I594 HydrophobicContact CG1-CD1 3.65Å; V591-I594 HydrophobicContact CG1-CG1 3.79Å
592T60.8Low81.3Confident75 Ų7516.8 Ų16.846%0.4610%0.103SC..  trans-120.3132.3-155.286.30000106.7R618T592-R618 VanDerWaalsContact CB-NH2 3.26Å; T592-R618 PolarHBondContact O-NH2 2.91Å; T592-R618 VanDerWaalsContact O-NH2 3.09Å; T592-R618 VanDerWaalsContact OG1-CZ 3.29Å; T592-R618 PolarHBondContact OG1-NH1 3.06Å; T592-R618 PolarHBondContact OG1-NH2 3.32Å
593G65.9Low81.5Confident20 Ų2016.1 Ų16.121%0.20610%0.099CC..  trans82.235.1-175.100000115.3R618G593-R618 VanDerWaalsContact N-NH2 3.19Å
594I82.9Confident81.7Confident2 Ų218.4 Ų18.41%0.0111%0.111CC..BIsolated β-bridgetrans-75.9132.6171.6-55.9174000108R524 L526 F571 V591 F596 V616R524-I594 HydrophobicContact CG-CG2 4.47Å; L526-I594 HydrophobicContact CD1-CD1 3.46Å; L526-I594 VanDerWaalsContact CD1-CD1 3.46Å; L526-I594 HydrophobicContact CD2-CD1 4.21Å; L526-I594 HydrophobicContact CG-CD1 3.5Å; L526-I594 VanDerWaalsContact CG-CD1 3.5Å; F571-I594 HydrophobicContact CE1-CD1 3.63Å; F571-I594 HydrophobicContact CE1-CG1 4.48Å; F571-I594 HydrophobicContact CZ-CD1 3.8Å; F571-I594 HydrophobicContact CZ-CG1 4.44Å; V591-I594 HydrophobicContact CB-CD1 3.91Å; V591-I594 HydrophobicContact CB-CG1 4.45Å; V591-I594 HydrophobicContact CG1-CD1 3.65Å; V591-I594 HydrophobicContact CG1-CG1 3.79Å; I594-F596 WeakPolarHBondContact CG2-O 3.35Å; I594-V616 WeakPolarHBondContact O-CA 2.96Å; I594-V616 WeakPolarHBondContact O-CB 3.41Å; I594-V616 WeakPolarHBondContact O-CG1 3.45Å
595P88.4Confident82.3Confident14 Ų1418.7 Ų18.79%0.09111%0.109CC..SBendtrans-76.8-25.9-176.825.1-29.6000113.5R524 G623 L624R524-P595 HydrophobicContact CB-CG 4.21Å; P595-G623 WeakPolarHBondContact O-CA 3.44Å; P595-L624 PolarHBondContact O-N 3.23Å
596F94.4Very high83Confident10 Ų1022.5 Ų22.54%0.04413%0.125CC..EExtended strand (participates in β ladder)trans-134142.9-172.5-56-78.8000113.9I522 R524 C525 L526 I594 V616 L624 Y700I522-F596 HydrophobicContact CB-CD2 4.1Å; I522-F596 HydrophobicContact CB-CE2 4.46Å; I522-F596 HydrophobicContact CB-CG 4.27Å; I522-F596 HydrophobicContact CD1-CB 4.24Å; I522-F596 HydrophobicContact CD1-CD1 4.11Å; I522-F596 HydrophobicContact CD1-CG 4.16Å; I522-F596 HydrophobicContact CG1-CB 4.41Å; I522-F596 HydrophobicContact CG1-CD1 3.9Å; I522-F596 HydrophobicContact CG1-CD2 4.12Å; I522-F596 HydrophobicContact CG1-CE1 4.17Å; I522-F596 HydrophobicContact CG1-CE2 4.39Å; I522-F596 HydrophobicContact CG1-CG 3.89Å; I522-F596 HydrophobicContact CG1-CZ 4.41Å; I522-F596 HydrophobicContact CG2-CB 3.73Å; I522-F596 HydrophobicContact CG2-CD2 3.61Å; I522-F596 HydrophobicContact CG2-CE2 4.4Å; I522-F596 HydrophobicContact CG2-CG 3.73Å; R524-F596 WeakPolarHBondContact O-CD2 3.42Å; C525-F596 WeakPolarHBondContact CA-O 3.3Å; C525-F596 HydrophobicContact CB-CB 4.22Å; C525-F596 PolarHBondContact SG-O 2.99Å; L526-F596 PolarHBondContact N-O 3.09Å; L526-F596 VanDerWaalsContact N-O 3.09Å; I594-F596 WeakPolarHBondContact CG2-O 3.35Å; F596-V616 VanDerWaalsContact C-CG1 3.44Å; F596-L624 CarbonylContact C-O 3.54Å; F596-L624 VanDerWaalsContact CA-O 3.3Å; F596-L624 WeakPolarHBondContact CA-O 3.45Å; F596-L624 HydrophobicContact CD1-CB 3.8Å; F596-L624 HydrophobicContact CD1-CD2 4.07Å; F596-L624 HydrophobicContact CD1-CG 4.3Å; F596-L624 HydrophobicContact CE1-CB 4.03Å; F596-L624 HydrophobicContact CE1-CD2 3.99Å; F596-Y700 AromaticContact CE1-CD2 3.9Å; F596-Y700 HydrophobicContact CE1-CD2 3.9Å; F596-Y700 AromaticContact CE1-CG 3.97Å; F596-Y700 HydrophobicContact CE1-CG 3.97Å; F596-Y700 HydrophobicContact CZ-CD2 4.35Å; F596-Y700 HydrophobicContact CZ-CG 4.33Å
597V95.3Very high83.2Confident0 Ų023.2 Ų23.20%013%0.129CC..EExtended strand (participates in β ladder)trans-127.1138.2167.1154.90000108.7L526 F528 R615 V616 L624 A625 I626L526-V597 HydrophobicContact CB-CG2 3.84Å; L526-V597 HydrophobicContact CD1-CG2 4.39Å; L526-V597 CarbonylContact O-C 3.26Å; L526-V597 WeakPolarHBondContact O-CA 3.33Å; F528-V597 HydrophobicContact CD2-CG1 4.09Å; F528-V597 HydrophobicContact CE2-CG1 4.27Å; F528-V597 HydrophobicContact CE2-CG2 4.33Å; V597-R615 HydrophobicContact CG2-CB 4.17Å; V597-V616 HydrophobicContact CB-CG1 3.84Å; V597-V616 HydrophobicContact CG2-CG1 3.41Å; V597-V616 VanDerWaalsContact CG2-CG1 3.41Å; V597-L624 PolarHBondContact N-O 3.35Å; V597-A625 HydrophobicContact CB-CB 4.27Å; V597-A625 HydrophobicContact CG1-CB 4.29Å; V597-A625 CarbonylContact O-C 3.52Å; V597-A625 WeakPolarHBondContact O-CA 3.43Å; V597-I626 PolarHBondContact O-N 3.18Å
598I98Very high83.9Confident0 Ų023.2 Ų23.20%013%0.13CC..EExtended strand (participates in β ladder)trans-120.9119.7168.7-64.4168.7000108.6A516 I517 I522 L526 I527 F528 V600 I626A516-I598 HydrophobicContact CB-CD1 4.11Å; I517-I598 HydrophobicContact CG1-CD1 3.91Å; I522-I598 HydrophobicContact CD1-CD1 3.95Å; I522-I598 HydrophobicContact CD1-CG1 4.36Å; L526-I598 PolarHBondContact O-N 3.15Å; I527-I598 CarbonylContact C-O 3.6Å; I527-I598 WeakPolarHBondContact CA-O 3.33Å; I527-I598 HydrophobicContact CG1-CB 4.42Å; F528-I598 PolarHBondContact N-O 3.26Å; I598-V600 HydrophobicContact CG2-CG2 4.12Å; I598-I626 CarbonylContact C-O 2.97Å; I598-I626 VanDerWaalsContact CA-O 3.31Å; I598-I626 WeakPolarHBondContact CA-O 3.22Å
599N98.5Very high85.3Confident0 Ų022.8 Ų22.80%013%0.126CC..EExtended strand (participates in β ladder)trans-89.9102.6166.3-61.5-43000108.3T601 R612 I626 S627 L628N599-T601 VanDerWaalsContact C-N 3.31Å; N599-R612 WeakPolarHBondContact OD1-CD 3.3Å; N599-I626 PolarHBondContact N-O 2.82Å; N599-S627 PolarHBondContact ND2-OG 3.15Å; N599-L628 PolarHBondContact O-N 3.15Å
600V98.5Very high86.1Confident9 Ų923.2 Ų23.26%0.05513%0.128CC..SBendtrans-70.8-35.3177.4-179.30000110.6K509 I527 F528 M538 I598K509-V600 HydrophobicContact CB-CG1 4.18Å; K509-V600 VanDerWaalsContact CD-O 3.28Å; K509-V600 WeakPolarHBondContact CD-O 3.45Å; K509-V600 WeakPolarHBondContact CE-O 3.23Å; I527-V600 HydrophobicContact CG2-CG2 3.43Å; I527-V600 VanDerWaalsContact CG2-CG2 3.43Å; F528-V600 WeakPolarHBondContact O-CB 3.42Å; F528-V600 PolarHBondContact O-N 3.14Å; M538-V600 HydrophobicContact CE-CB 4.27Å; M538-V600 HydrophobicContact CE-CG1 3.67Å; M538-V600 HydrophobicContact CE-CG2 3.55Å; I598-V600 HydrophobicContact CG2-CG2 4.12Å
601T97.7Very high86.9Confident12 Ų1221 Ų217%0.07412%0.116CC..SBendtrans-127.8139.4174.4-38.40000106.6R530 N599 R612 Y663 E665R530-T601 HydrophobicContact CB-CG2 3.6Å; R530-T601 HydrophobicContact CG-CG2 4.39Å; N599-T601 VanDerWaalsContact C-N 3.31Å; T601-R612 PolarHBondContact O-NH1 3.24Å; T601-Y663 HydrophobicContact CG2-CD1 4.43Å; T601-Y663 HydrophobicContact CG2-CE1 3.87Å; T601-E665 WeakPolarHBondContact CA-OE1 3.39Å; T601-E665 WeakPolarHBondContact CG2-OE1 3.26Å
602L97.5Very high87.9Confident0 Ų020.6 Ų20.60%011%0.113CC..  trans-62.5154.1170.2-75.2-176.8000110.8Y609 V629 Y663 E665 L668 L669 I672L602-Y609 HydrophobicContact CD2-CD2 4.21Å; L602-Y609 HydrophobicContact CD2-CE2 4.28Å; L602-V629 HydrophobicContact CD1-CG1 4.29Å; L602-V629 HydrophobicContact CD1-CG2 3.74Å; L602-V629 HydrophobicContact CD2-CG2 4.22Å; L602-V629 HydrophobicContact CG-CG2 3.95Å; L602-Y663 PolarHBondContact O-OH 3.47Å; L602-E665 HydrophobicContact CB-CG 4.48Å; L602-E665 HydrophobicContact CD1-CB 4.23Å; L602-E665 WeakPolarHBondContact CD1-O 3.42Å; L602-E665 PolarHBondContact N-OE1 2.62Å; L602-L668 HydrophobicContact CD1-CB 4.23Å; L602-L669 HydrophobicContact CD1-CB 3.95Å; L602-I672 HydrophobicContact CD1-CD1 4.34Å; L602-I672 HydrophobicContact CD2-CD1 4.27Å
603P94.5Very high89.2Confident1 Ų117 Ų171%0.0069%0.091CC..  trans-71.2151.5172.127.5-30.2000111.3E605 N608 Y663P603-E605 WeakPolarHBondContact CG-O 3.48Å; P603-E605 PolarHBondContact O-N 3.44Å; P603-N608 HydrophobicContact CB-CB 3.7Å; P603-N608 HydrophobicContact CG-CB 4.27Å; P603-Y663 VanDerWaalsContact C-OH 3.31Å; P603-Y663 PolarHBondContact O-OH 3.02Å
604D91.7Very high89.9Confident74 Ų7418 Ų1840%0.39610%0.101SC..SBendtrans-63.7-22175.8-68.9-1.6000112.3R530 Y663R530-D604 IonicContact CZ-OD1 2.73Å; R530-D604 IonicContact CZ-OD2 3.49Å; R530-D604 IonicContact NE-OD1 2.68Å; R530-D604 PolarHBondContact NE-OD1 2.78Å; R530-D604 IonicContact NE-OD2 2.85Å; R530-D604 PolarHBondContact NE-OD2 2.85Å; R530-D604 IonicContact NH2-OD1 3.83Å; R530-D604 IonicContact NH2-OD2 3.23Å; R530-D604 PolarHBondContact NH2-OD2 2.73Å; D604-Y663 WeakPolarHBondContact CA-OH 3.29Å; D604-Y663 PolarHBondContact N-OH 2.9Å; D604-Y663 WeakPolarHBondContact OD1-CE2 3.27Å; D604-Y663 PolarHBondContact OD1-OH 3.49Å
605E85.9Confident89.8Confident65 Ų6519.1 Ų19.130%0.30411%0.105SC..SBendtrans-128.6137.2-179-64.2172.1170.300111Q376 P603 S607 N608Q376-E605 WeakPolarHBondContact CB-OE2 3.47Å; Q376-E605 WeakPolarHBondContact CG-OE2 3.39Å; Q376-E605 PolarHBondContact NE2-OE2 2.87Å; Q376-E605 PolarHBondContact OE1-OE2 2.68Å; Q376-E605 VanDerWaalsContact OE1-OE2 3.09Å; P603-E605 WeakPolarHBondContact CG-O 3.48Å; P603-E605 PolarHBondContact O-N 3.44Å; E605-S607 VanDerWaalsContact C-N 3.3Å; E605-S607 PolarHBondContact O-N 3.39Å; E605-N608 PolarHBondContact O-N 2.88Å; E605-N608 VanDerWaalsContact O-N 3.13Å; E605-N608 PolarHBondContact OE2-ND2 3.08Å; E605-N608 VanDerWaalsContact OE2-ND2 3.11Å
606K86.4Confident89.4Confident84 Ų8418.5 Ų18.537%0.36510%0.101SC..Hα-helixtrans-60.9-31.7-179.164.1-163-165.2152.40114.7N608 Y609 D671 I672 H675K606-N608 VanDerWaalsContact C-N 3.32Å; K606-N608 PolarHBondContact O-N 3.2Å; K606-Y609 VanDerWaalsContact O-CB 3.28Å; K606-Y609 WeakPolarHBondContact O-CB 3.3Å; K606-Y609 PolarHBondContact O-N 2.89Å; K606-Y609 VanDerWaalsContact O-N 3.16Å; K606-D671 WeakPolarHBondContact CD-O 3.22Å; K606-I672 HydrophobicContact CB-CG1 3.82Å; K606-H675 HydrophobicContact CB-CB 4.46Å; K606-H675 HydrophobicContact CD-CB 3.79Å; K606-H675 VanDerWaalsContact CE-ND1 3.26Å; K606-H675 WeakPolarHBondContact CE-ND1 3.35Å; K606-H675 HydrophobicContact CG-CB 4.27Å; K606-H675 PolarHBondContact NZ-ND1 3.26Å
607S78.9Confident88.1Confident17 Ų1718.9 Ų18.912%0.11911%0.108CC..Hα-helixtrans-61.2-39.7174.850.70000112.2Q376 E605 Y609 L610 H611Q376-S607 PolarHBondContact NE2-OG 3Å; E605-S607 VanDerWaalsContact C-N 3.3Å; E605-S607 PolarHBondContact O-N 3.39Å; S607-Y609 PolarHBondContact O-N 2.82Å; S607-L610 PolarHBondContact O-N 3.34Å; S607-H611 PolarHBondContact O-N 2.85Å
608N85.7Confident86.7Confident12 Ų1224.1 Ų24.16%0.06413%0.127CC..Hα-helixtrans-67-26178.4-74.1-48.7000111.7Q376 R587 P603 E605 K606 L610 H611 R612Q376-N608 PolarHBondContact OE1-ND2 3.21Å; Q376-N608 VanDerWaalsContact OE1-ND2 3.13Å; Q376-N608 PolarHBondContact OE1-OD1 3.09Å; R587-N608 PolarHBondContact NH2-OD1 3.1Å; P603-N608 HydrophobicContact CB-CB 3.7Å; P603-N608 HydrophobicContact CG-CB 4.27Å; E605-N608 PolarHBondContact O-N 2.88Å; E605-N608 VanDerWaalsContact O-N 3.13Å; E605-N608 PolarHBondContact OE2-ND2 3.08Å; E605-N608 VanDerWaalsContact OE2-ND2 3.11Å; K606-N608 VanDerWaalsContact C-N 3.32Å; K606-N608 PolarHBondContact O-N 3.2Å; N608-L610 PolarHBondContact O-N 2.89Å; N608-H611 WeakPolarHBondContact O-CB 3.44Å; N608-H611 PolarHBondContact O-N 3.09Å; N608-R612 VanDerWaalsContact O-CG 3.26Å; N608-R612 WeakPolarHBondContact O-CG 3.17Å; N608-R612 PolarHBondContact O-N 2.87Å
609Y91.1Very high84.9Confident0 Ų028.8 Ų28.80%017%0.166CC..Hα-helixtrans-59.3-49.3175.3179-97000111.5H460 L602 K606 S607 H611 R612 I613 S627 I672 L676 I680H460-Y609 AromaticContact ND1-CE1 3.74Å; H460-Y609 AromaticContact ND1-CZ 3.81Å; H460-Y609 PolarHBondContact ND1-OH 2.89Å; L602-Y609 HydrophobicContact CD2-CD2 4.21Å; L602-Y609 HydrophobicContact CD2-CE2 4.28Å; K606-Y609 VanDerWaalsContact O-CB 3.28Å; K606-Y609 WeakPolarHBondContact O-CB 3.3Å; K606-Y609 PolarHBondContact O-N 2.89Å; K606-Y609 VanDerWaalsContact O-N 3.16Å; S607-Y609 PolarHBondContact O-N 2.82Å; Y609-H611 VanDerWaalsContact C-N 3.28Å; Y609-H611 PolarHBondContact O-N 3.06Å; Y609-R612 PolarHBondContact O-N 2.85Å; Y609-R612 VanDerWaalsContact O-N 3.13Å; Y609-I613 HydrophobicContact CD1-CD1 4.21Å; Y609-I613 HydrophobicContact CE1-CD1 3.63Å; Y609-I613 HydrophobicContact CE1-CG1 4.4Å; Y609-I613 HydrophobicContact CE1-CG2 4.16Å; Y609-I613 HydrophobicContact CE2-CG2 4.12Å; Y609-I613 PolarHBondContact O-N 2.9Å; Y609-S627 WeakPolarHBondContact CE2-OG 3.21Å; Y609-I672 HydrophobicContact CD1-CG2 3.51Å; Y609-I672 HydrophobicContact CD2-CD1 3.81Å; Y609-I672 HydrophobicContact CD2-CG2 4.4Å; Y609-I672 HydrophobicContact CE1-CG2 3.83Å; Y609-I672 HydrophobicContact CG-CD1 3.85Å; Y609-I672 HydrophobicContact CG-CG1 4.25Å; Y609-I672 HydrophobicContact CG-CG2 3.84Å; Y609-L676 HydrophobicContact CE1-CD1 4.2Å; Y609-I680 HydrophobicContact CE1-CD1 4Å; Y609-I680 WeakPolarHBondContact OH-CD1 3.48Å
610L84.5Confident83.3Confident13 Ų1333.8 Ų33.87%0.06819%0.189CC..Hα-helixtrans-59.4-40174.8-74170.6000111.8D452 V454 S607 N608 R612 I613 G614 L676D452-L610 HydrophobicContact CB-CD1 3.55Å; V454-L610 HydrophobicContact CG2-CD2 3.88Å; S607-L610 PolarHBondContact O-N 3.34Å; N608-L610 PolarHBondContact O-N 2.89Å; L610-R612 VanDerWaalsContact C-N 3.31Å; L610-R612 PolarHBondContact O-N 3.34Å; L610-I613 HydrophobicContact CD2-CD1 4.48Å; L610-G614 PolarHBondContact O-N 3.08Å; L610-L676 HydrophobicContact CD1-CD2 4.23Å; L610-L676 HydrophobicContact CD2-CD2 3.65Å; L610-L676 HydrophobicContact CG-CD2 4.14Å
611H80.5Confident81.9Confident23 Ų2338 Ų3811%0.10620%0.204CC..Hα-helixtrans-65.7-31.6176.6-69.2-176.5000113.9D372 A407 S607 N608 Y609 R615D372-H611 IonicContact OD2-CE1 3.58Å; D372-H611 PolarHBondContact OD2-CE1 2.77Å; D372-H611 IonicContact OD2-NE2 2.74Å; A407-H611 VanDerWaalsContact CB-NE2 3.33Å; A407-H611 WeakPolarHBondContact CB-NE2 3.46Å; S607-H611 PolarHBondContact O-N 2.85Å; N608-H611 WeakPolarHBondContact O-CB 3.44Å; N608-H611 PolarHBondContact O-N 3.09Å; Y609-H611 VanDerWaalsContact C-N 3.28Å; Y609-H611 PolarHBondContact O-N 3.06Å; H611-R615 WeakPolarHBondContact O-CG 3.35Å; H611-R615 PolarHBondContact O-NE 3.24Å
612R89.6Confident81Confident1 Ų138.4 Ų38.40%0.00421%0.206CC..Hα-helixtrans-74.3-50.9176.9-69.2-175.6-174.9-172.12.1111F528 D583 N599 T601 N608 Y609 L610 R615F528-R612 HydrophobicContact CD1-CG 3.72Å; F528-R612 HydrophobicContact CD2-CB 3.94Å; F528-R612 HydrophobicContact CD2-CG 3.87Å; F528-R612 HydrophobicContact CE1-CB 4.45Å; F528-R612 HydrophobicContact CE1-CG 3.66Å; F528-R612 HydrophobicContact CE2-CB 3.76Å; F528-R612 HydrophobicContact CE2-CG 3.84Å; F528-R612 HydrophobicContact CG-CB 4.39Å; F528-R612 HydrophobicContact CG-CG 3.82Å; F528-R612 HydrophobicContact CZ-CB 4.04Å; F528-R612 HydrophobicContact CZ-CG 3.74Å; D583-R612 IonicContact OD1-CZ 3.2Å; D583-R612 IonicContact OD1-NE 3.42Å; D583-R612 PolarHBondContact OD1-NE 2.73Å; D583-R612 IonicContact OD1-NH2 2.88Å; D583-R612 PolarHBondContact OD1-NH2 2.88Å; D583-R612 IonicContact OD2-CZ 3.99Å; D583-R612 IonicContact OD2-NE 2.85Å; D583-R612 IonicContact OD2-NH2 3.22Å; D583-R612 PolarHBondContact OD2-NH2 2.87Å; N599-R612 WeakPolarHBondContact OD1-CD 3.3Å; T601-R612 PolarHBondContact O-NH1 3.24Å; N608-R612 VanDerWaalsContact O-CG 3.26Å; N608-R612 WeakPolarHBondContact O-CG 3.17Å; N608-R612 PolarHBondContact O-N 2.87Å; Y609-R612 PolarHBondContact O-N 2.85Å; Y609-R612 VanDerWaalsContact O-N 3.13Å; L610-R612 VanDerWaalsContact C-N 3.31Å; L610-R612 PolarHBondContact O-N 3.34Å; R612-R615 WeakPolarHBondContact O-CB 3.48Å; R612-R615 VanDerWaalsContact O-CG 3.27Å; R612-R615 WeakPolarHBondContact O-CG 3.45Å; R612-R615 PolarHBondContact O-N 2.77Å
613I88.3Confident80.6Confident0 Ų038.4 Ų38.40%021%0.206CC..Hα-helixtrans-74-30.2-176.372.3169.8000112.1V454 V458 H460 Y609 L610 R615 V616 A625V454-I613 HydrophobicContact CB-CD1 4.44Å; V454-I613 HydrophobicContact CG1-CD1 3.75Å; V454-I613 HydrophobicContact CG2-CD1 3.9Å; V458-I613 HydrophobicContact CG1-CB 4.16Å; V458-I613 HydrophobicContact CG1-CD1 4.19Å; V458-I613 HydrophobicContact CG1-CG1 4.32Å; H460-I613 HydrophobicContact CB-CD1 4.34Å; Y609-I613 HydrophobicContact CD1-CD1 4.21Å; Y609-I613 HydrophobicContact CE1-CD1 3.63Å; Y609-I613 HydrophobicContact CE1-CG1 4.4Å; Y609-I613 HydrophobicContact CE1-CG2 4.16Å; Y609-I613 HydrophobicContact CE2-CG2 4.12Å; Y609-I613 PolarHBondContact O-N 2.9Å; L610-I613 HydrophobicContact CD2-CD1 4.48Å; I613-R615 PolarHBondContact O-N 3.43Å; I613-V616 WeakPolarHBondContact O-CG2 3.44Å; I613-V616 PolarHBondContact O-N 3.42Å; I613-A625 HydrophobicContact CB-CB 3.79Å; I613-A625 HydrophobicContact CG2-CB 3.54Å
614G80.2Confident80.5Confident40 Ų4038.4 Ų38.441%0.41221%0.205SC..THydrogen-bonded Turntrans-66.5-1.4173.100000114.5L610 V616L610-G614 PolarHBondContact O-N 3.08Å; G614-V616 VanDerWaalsContact C-N 3.26Å
615R79.8Confident80.6Confident26 Ų2634.9 Ų34.910%0.09819%0.187CC..THydrogen-bonded Turntrans-75.9-16.6169.5-57.6-66.1172.7172.8-9.8112.8L526 F528 A586 I589 V597 H611 R612 I613L526-R615 HydrophobicContact CD1-CB 3.54Å; L526-R615 HydrophobicContact CD1-CG 3.84Å; F528-R615 HydrophobicContact CZ-CG 4.35Å; A586-R615 PolarHBondContact O-NH2 3Å; I589-R615 PolarHBondContact O-NH1 2.74Å; I589-R615 VanDerWaalsContact O-NH1 3.12Å; V597-R615 HydrophobicContact CG2-CB 4.17Å; H611-R615 WeakPolarHBondContact O-CG 3.35Å; H611-R615 PolarHBondContact O-NE 3.24Å; R612-R615 WeakPolarHBondContact O-CB 3.48Å; R612-R615 VanDerWaalsContact O-CG 3.27Å; R612-R615 WeakPolarHBondContact O-CG 3.45Å; R612-R615 PolarHBondContact O-N 2.77Å; I613-R615 PolarHBondContact O-N 3.43Å
616V80.1Confident81.2Confident2 Ų231.8 Ų31.81%0.01217%0.172CC..BIsolated β-bridgetrans-108.6167.9173.5-54.50000110.1V458 I594 F596 V597 I613 G614 A625V458-V616 HydrophobicContact CG1-CG2 4.02Å; V458-V616 HydrophobicContact CG2-CG2 4.31Å; V458-V616 VanDerWaalsContact CG2-O 3.26Å; V458-V616 WeakPolarHBondContact CG2-O 3.31Å; I594-V616 WeakPolarHBondContact O-CA 2.96Å; I594-V616 WeakPolarHBondContact O-CB 3.41Å; I594-V616 WeakPolarHBondContact O-CG1 3.45Å; F596-V616 VanDerWaalsContact C-CG1 3.44Å; V597-V616 HydrophobicContact CB-CG1 3.84Å; V597-V616 HydrophobicContact CG2-CG1 3.41Å; V597-V616 VanDerWaalsContact CG2-CG1 3.41Å; I613-V616 WeakPolarHBondContact O-CG2 3.44Å; I613-V616 PolarHBondContact O-N 3.42Å; G614-V616 VanDerWaalsContact C-N 3.26Å; V616-A625 HydrophobicContact CG2-CB 4.43Å
617G67.2Low81.7Confident17 Ų1727.8 Ų27.818%0.17516%0.155CC..  trans80.2137.3-17900000112.5T457 R621T457-G617 WeakPolarHBondContact O-CA 3.43Å; G617-R621 CarbonylContact C-O 3.57Å; G617-R621 WeakPolarHBondContact CA-O 3.49Å
618R65.8Low82.7Confident111 Ų11127 Ų2742%0.41915%0.149SC..BIsolated β-bridgetrans-149.3161.6172.2-66.3-165.8130.3174.9138.5109T457 T592 G593 E620 R621T457-R618 VanDerWaalsContact CG2-O 3.31Å; T457-R618 WeakPolarHBondContact CG2-O 3.44Å; T457-R618 PolarHBondContact OG1-N 3.39Å; T592-R618 VanDerWaalsContact CB-NH2 3.26Å; T592-R618 PolarHBondContact O-NH2 2.91Å; T592-R618 VanDerWaalsContact O-NH2 3.09Å; T592-R618 VanDerWaalsContact OG1-CZ 3.29Å; T592-R618 PolarHBondContact OG1-NH1 3.06Å; T592-R618 PolarHBondContact OG1-NH2 3.32Å; G593-R618 VanDerWaalsContact N-NH2 3.19Å; R618-E620 PolarHBondContact O-N 3.12Å; R618-R621 PolarHBondContact N-O 3.34Å; R618-R621 CarbonylContact O-C 3.55Å; R618-R621 PolarHBondContact O-N 3.07Å
619A60Low83.3Confident98 Ų9826.4 Ų26.481%0.8115%0.146SC*.THydrogen-bonded Turntrans-44.8-29.3178.900000115.3
620E65.3Low83.6Confident105 Ų10526.4 Ų26.449%0.49115%0.146SC..THydrogen-bonded Turntrans-109.4-4.7179.5-56.8-175.8179.300115.2R618 K703R618-E620 PolarHBondContact O-N 3.12Å; E620-K703 WeakPolarHBondContact OE2-CE 3.27Å; E620-K703 IonicContact OE2-NZ 2.66Å
621R69.2Low84.3Confident97 Ų9726.7 Ų26.737%0.36615%0.151SC..BIsolated β-bridgetrans-144.3125-170.7-62.2-173-172.1169.82.5112.5G617 R618G617-R621 CarbonylContact C-O 3.57Å; G617-R621 WeakPolarHBondContact CA-O 3.49Å; R618-R621 PolarHBondContact N-O 3.34Å; R618-R621 CarbonylContact O-C 3.55Å; R618-R621 PolarHBondContact O-N 3.07Å
622M79.7Confident85.1Confident21 Ų2126.5 Ų26.510%0.10315%0.151CC..  trans-67136.2170.2-66.2-61.6-72.100111.3T457 H459 F694 V698 Y700T457-M622 WeakPolarHBondContact O-CA 3.48Å; H459-M622 HydrophobicContact CB-CE 4.23Å; M622-F694 HydrophobicContact CE-CB 4.37Å; M622-F694 HydrophobicContact CG-CB 4.42Å; M622-F694 HydrophobicContact SD-CB 4.19Å; M622-F694 HydrophobicContact SD-CD1 4.45Å; M622-F694 HydrophobicContact SD-CD2 4.2Å; M622-F694 HydrophobicContact SD-CG 4.02Å; M622-V698 HydrophobicContact CB-CG1 3.76Å; M622-V698 HydrophobicContact CG-CG1 3.73Å; M622-V698 HydrophobicContact CG-CG2 4.31Å; M622-Y700 HydrophobicContact CB-CD1 4Å; M622-Y700 HydrophobicContact CB-CE1 4.29Å
623G88.2Confident85.5Confident0 Ų028 Ų280%017%0.166CC..EExtended strand (participates in β ladder)trans-106.2148.9167.500000111.5T457 H459 P595T457-G623 PolarHBondContact O-N 3.37Å; H459-G623 PolarHBondContact N-O 3.23Å; P595-G623 WeakPolarHBondContact O-CA 3.44Å
624L92.1Very high85.9Confident0 Ų028.3 Ų28.30%017%0.168CC..EExtended strand (participates in β ladder)trans-115.7124.2172.8174.164.4000110.8H459 V461 N520 P595 F596 V597 I626 V689 Y700H459-L624 HydrophobicContact CB-CD1 4.4Å; H459-L624 CarbonylContact O-C 3.55Å; H459-L624 VanDerWaalsContact O-CA 3.29Å; H459-L624 WeakPolarHBondContact O-CA 3.48Å; V461-L624 HydrophobicContact CG2-CD1 4.4Å; N520-L624 HydrophobicContact CB-CD2 4.47Å; P595-L624 PolarHBondContact O-N 3.23Å; F596-L624 CarbonylContact C-O 3.54Å; F596-L624 VanDerWaalsContact CA-O 3.3Å; F596-L624 WeakPolarHBondContact CA-O 3.45Å; F596-L624 HydrophobicContact CD1-CB 3.8Å; F596-L624 HydrophobicContact CD1-CD2 4.07Å; F596-L624 HydrophobicContact CD1-CG 4.3Å; F596-L624 HydrophobicContact CE1-CB 4.03Å; F596-L624 HydrophobicContact CE1-CD2 3.99Å; V597-L624 PolarHBondContact N-O 3.35Å; L624-I626 HydrophobicContact CD1-CG1 4.34Å; L624-I626 HydrophobicContact CD2-CD1 4.02Å; L624-I626 HydrophobicContact CD2-CG1 4.15Å; L624-I626 HydrophobicContact CG-CD1 4.41Å; L624-I626 HydrophobicContact CG-CG1 4.02Å; L624-V689 HydrophobicContact CD1-CG1 3.91Å; L624-V689 HydrophobicContact CD2-CB 4.44Å; L624-V689 HydrophobicContact CD2-CG1 4.41Å; L624-V689 HydrophobicContact CD2-CG2 4.24Å; L624-Y700 HydrophobicContact CB-CD1 3.77Å; L624-Y700 HydrophobicContact CB-CD2 4.17Å; L624-Y700 HydrophobicContact CB-CE1 3.75Å; L624-Y700 HydrophobicContact CB-CE2 4.15Å; L624-Y700 HydrophobicContact CB-CG 4Å; L624-Y700 HydrophobicContact CD2-CD2 4.14Å; L624-Y700 HydrophobicContact CD2-CE2 3.81Å; L624-Y700 HydrophobicContact CG-CE2 4.43Å
625A94.6Very high86.8Confident0 Ų027.3 Ų27.30%015%0.152CC..EExtended strand (participates in β ladder)trans-110.6121.617200000110.9H459 H460 V461 V597 I613 V616H459-A625 PolarHBondContact O-N 3.44Å; H460-A625 CarbonylContact C-O 3.56Å; H460-A625 VanDerWaalsContact CA-O 3.28Å; H460-A625 WeakPolarHBondContact CA-O 3.36Å; H460-A625 HydrophobicContact CB-CB 4.01Å; V461-A625 PolarHBondContact N-O 3.34Å; V597-A625 HydrophobicContact CB-CB 4.27Å; V597-A625 HydrophobicContact CG1-CB 4.29Å; V597-A625 CarbonylContact O-C 3.52Å; V597-A625 WeakPolarHBondContact O-CA 3.43Å; I613-A625 HydrophobicContact CB-CB 3.79Å; I613-A625 HydrophobicContact CG2-CB 3.54Å; V616-A625 HydrophobicContact CG2-CB 4.43Å
626I97.2Very high87.6Confident0 Ų026.7 Ų26.70%015%0.151CC..EExtended strand (participates in β ladder)trans-110123.9178.2-58.4172.9000108.6V461 V463 A516 I522 V597 I598 N599 L624 L628 I687 V689V461-I626 HydrophobicContact CG2-CB 4.35Å; V461-I626 HydrophobicContact CG2-CG1 3.93Å; V461-I626 HydrophobicContact CG2-CG2 4.37Å; V463-I626 HydrophobicContact CG2-CG2 3.99Å; A516-I626 HydrophobicContact CB-CD1 3.97Å; A516-I626 HydrophobicContact CB-CG2 4.49Å; I522-I626 HydrophobicContact CD1-CD1 4.32Å; V597-I626 PolarHBondContact O-N 3.18Å; I598-I626 CarbonylContact C-O 2.97Å; I598-I626 VanDerWaalsContact CA-O 3.31Å; I598-I626 WeakPolarHBondContact CA-O 3.22Å; N599-I626 PolarHBondContact N-O 2.82Å; L624-I626 HydrophobicContact CD1-CG1 4.34Å; L624-I626 HydrophobicContact CD2-CD1 4.02Å; L624-I626 HydrophobicContact CD2-CG1 4.15Å; L624-I626 HydrophobicContact CG-CD1 4.41Å; L624-I626 HydrophobicContact CG-CG1 4.02Å; I626-L628 HydrophobicContact CG2-CD2 4.34Å; I626-I687 HydrophobicContact CD1-CG2 4.2Å; I626-I687 HydrophobicContact CG2-CG2 4.36Å; I626-V689 HydrophobicContact CD1-CG2 4.36Å
627S98.4Very high88.4Confident0 Ų027.9 Ų27.90%016%0.155CC..EExtended strand (participates in β ladder)trans-112.6120.3178.6-55.20000111.4V461 V462 V463 N599 Y609V461-S627 PolarHBondContact O-N 3.27Å; V462-S627 CarbonylContact C-O 2.74Å; V462-S627 WeakPolarHBondContact CA-O 3.27Å; V463-S627 PolarHBondContact N-O 3.11Å; N599-S627 PolarHBondContact ND2-OG 3.15Å; Y609-S627 WeakPolarHBondContact CE2-OG 3.21Å
628L98.6Very high89.6Confident0 Ų033.3 Ų33.30%017%0.172CC..EExtended strand (participates in β ladder)trans-85.4123.2174.6-52.8-175000108.5V463 V465 K509 Y512 A513 N599 I626V463-L628 HydrophobicContact CB-CD2 4.04Å; V465-L628 HydrophobicContact CG2-CB 4.11Å; K509-L628 HydrophobicContact CB-CD1 4.5Å; K509-L628 HydrophobicContact CG-CD1 4.48Å; Y512-L628 HydrophobicContact CD1-CD2 4.38Å; A513-L628 HydrophobicContact CB-CD1 4.37Å; N599-L628 PolarHBondContact O-N 3.15Å; I626-L628 HydrophobicContact CG2-CD2 4.34Å
629V98.5Very high90.8Very high0 Ų030.1 Ų30.10%016%0.162CC..EExtended strand (participates in β ladder)trans-123.5120-175.1179.60000109.9V462 V463 M464 V465 L602 A631 E665 L669V462-V629 HydrophobicContact CG1-CB 4.01Å; V462-V629 HydrophobicContact CG1-CG2 3.63Å; V462-V629 HydrophobicContact CG2-CG2 4.26Å; V463-V629 PolarHBondContact O-N 3.47Å; M464-V629 CarbonylContact C-O 3.59Å; M464-V629 WeakPolarHBondContact CA-O 3.41Å; M464-V629 HydrophobicContact CE-CB 4.33Å; M464-V629 HydrophobicContact CE-CG1 3.91Å; M464-V629 HydrophobicContact SD-CB 3.83Å; M464-V629 HydrophobicContact SD-CG1 3.85Å; V465-V629 PolarHBondContact N-O 2.66Å; L602-V629 HydrophobicContact CD1-CG1 4.29Å; L602-V629 HydrophobicContact CD1-CG2 3.74Å; L602-V629 HydrophobicContact CD2-CG2 4.22Å; L602-V629 HydrophobicContact CG-CG2 3.95Å; V629-A631 PolarHBondContact O-N 3.4Å; V629-E665 WeakPolarHBondContact CA-OE2 3.41Å; V629-E665 HydrophobicContact CG1-CB 3.88Å; V629-L669 HydrophobicContact CG1-CB 4.37Å; V629-L669 HydrophobicContact CG1-CD2 4.2Å; V629-L669 HydrophobicContact CG2-CD2 4.41Å
630S98.5Very high91.8Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-65.3126.3175.3-175.50000111.6V505 V632 E634 E665V505-S630 WeakPolarHBondContact CG2-OG 3.42Å; S630-V632 WeakPolarHBondContact CB-O 3.36Å; S630-V632 PolarHBondContact O-N 3.1Å; S630-V632 PolarHBondContact OG-N 3.09Å; S630-V632 PolarHBondContact OG-O 3.08Å; S630-E634 WeakPolarHBondContact CB-OE1 3.38Å; S630-E665 PolarHBondContact N-OE2 2.94Å
631A97.6Very high93Very high20 Ų2025.1 Ų25.117%0.16513%0.132CC..SBendtrans-78-5.3174.800000113.6M464 V465 D466 R468 V629M464-A631 HydrophobicContact CE-CB 3.82Å; V465-A631 PolarHBondContact O-N 3.1Å; D466-A631 HydrophobicContact CB-CB 3.62Å; R468-A631 PolarHBondContact NH2-O 2.95Å; V629-A631 PolarHBondContact O-N 3.4Å
632V98Very high93.8Very high18 Ų1827.1 Ų27.111%0.10916%0.157CC..SBendtrans-131.3160.2-179.5-62.40000109.9P467 L501 V505 S630P467-V632 HydrophobicContact CG-CG2 3.87Å; L501-V632 HydrophobicContact CB-CG2 4.16Å; L501-V632 HydrophobicContact CD1-CG1 4.35Å; V505-V632 HydrophobicContact CG2-CG2 3.45Å; V505-V632 VanDerWaalsContact CG2-CG2 3.45Å; S630-V632 WeakPolarHBondContact CB-O 3.36Å; S630-V632 PolarHBondContact O-N 3.1Å; S630-V632 PolarHBondContact OG-N 3.09Å; S630-V632 PolarHBondContact OG-O 3.08Å
633G97.9Very high94.1Very high32 Ų3228.6 Ų28.633%0.3317%0.17SC..  trans-63.3140.2174.100000111.5W662 Y663G633-W662 WeakPolarHBondContact O-CZ3 3.46Å; G633-Y663 WeakPolarHBondContact CA-O 3.32Å
634E98Very high93.9Very high8 Ų838.5 Ų38.54%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-111.2125.3173.8-70.2-177.6-94.400111S502 V505 K509 S630 V636 W662 Y663S502-E634 VanDerWaalsContact OG-CA 3.22Å; S502-E634 WeakPolarHBondContact OG-CA 3.44Å; V505-E634 HydrophobicContact CB-CG 4.08Å; V505-E634 HydrophobicContact CG1-CG 3.94Å; V505-E634 VanDerWaalsContact CG1-OE2 3.27Å; V505-E634 WeakPolarHBondContact CG1-OE2 3.14Å; V505-E634 HydrophobicContact CG2-CG 4.45Å; K509-E634 IonicContact NZ-OE1 2.98Å; K509-E634 PolarHBondContact NZ-OE1 3.11Å; K509-E634 IonicContact NZ-OE2 3.18Å; S630-E634 WeakPolarHBondContact CB-OE1 3.38Å; E634-V636 HydrophobicContact CB-CG1 4Å; E634-V636 PolarHBondContact O-N 2.9Å; E634-W662 CarbonylContact O-C 3.59Å; E634-W662 WeakPolarHBondContact O-CA 3.47Å; E634-Y663 PolarHBondContact N-O 2.96Å; E634-Y663 WeakPolarHBondContact O-CB 3.18Å; E634-Y663 PolarHBondContact O-N 3.25Å
635K98.1Very high93.7Very high18 Ų1839.4 Ų39.48%0.07822%0.216CC..EExtended strand (participates in β ladder)trans-74.5121169.3-168.5179.3174.4-174.30107.5I485 D489 S502 K506 A651 A660 I661 W662I485-K635 HydrophobicContact CD1-CG 4.09Å; I485-K635 HydrophobicContact CG1-CG 4.45Å; I485-K635 WeakPolarHBondContact CG2-O 3.36Å; D489-K635 IonicContact OD1-NZ 2.96Å; D489-K635 PolarHBondContact OD1-NZ 3.45Å; D489-K635 VanDerWaalsContact OD1-NZ 3.11Å; D489-K635 IonicContact OD2-NZ 3.96Å; D489-K635 PolarHBondContact OD2-NZ 3.08Å; S502-K635 PolarHBondContact OG-N 2.74Å; K506-K635 WeakPolarHBondContact CE-O 3.21Å; K506-K635 PolarHBondContact NZ-O 3.02Å; K635-A651 WeakPolarHBondContact CE-O 3.4Å; K635-A660 HydrophobicContact CG-CB 4.28Å; K635-I661 CarbonylContact C-O 3.46Å; K635-I661 WeakPolarHBondContact CA-O 3.4Å; K635-W662 HydrophobicContact CB-CD2 4.26Å; K635-W662 HydrophobicContact CB-CE3 4.05Å; K635-W662 HydrophobicContact CB-CH2 3.89Å; K635-W662 HydrophobicContact CB-CZ2 4.12Å; K635-W662 HydrophobicContact CB-CZ3 3.87Å; K635-W662 HydrophobicContact CD-CZ2 4.32Å; K635-W662 HydrophobicContact CG-CZ2 4.49Å; K635-W662 VanDerWaalsContact N-CE3 3.35Å
636V97.2Very high93.3Very high13 Ų1347.2 Ų47.28%0.07925%0.25CS..EExtended strand (participates in β ladder)trans-134.3156.5-175-600000111.4I485 E634 A660 I661 Y663I485-V636 WeakPolarHBondContact CD1-O 3.28Å; E634-V636 HydrophobicContact CB-CG1 4Å; E634-V636 PolarHBondContact O-N 2.9Å; V636-A660 VanDerWaalsContact O-CA 3.3Å; V636-A660 WeakPolarHBondContact O-CA 3.17Å; V636-I661 HydrophobicContact CG2-CD1 4.29Å; V636-I661 HydrophobicContact CG2-CG1 3.65Å; V636-I661 PolarHBondContact N-O 3.37Å; V636-I661 PolarHBondContact O-N 3.37Å; V636-Y663 HydrophobicContact CG2-CD2 4.4Å; V636-Y663 HydrophobicContact CG2-CG 4.23Å
637W95.7Very high92.8Very high27 Ų2752.9 Ų52.910%0.10229%0.29CS..EExtended strand (participates in β ladder)trans-69.2135.3173-65.3110.4000110.8D483 I485 R530 H639 A651 C659D483-W637 PolarHBondContact O-NE1 2.79Å; I485-W637 HydrophobicContact CB-CD2 4.34Å; I485-W637 HydrophobicContact CB-CZ2 4.01Å; I485-W637 HydrophobicContact CD1-CD2 3.78Å; I485-W637 HydrophobicContact CD1-CE3 4.13Å; I485-W637 HydrophobicContact CD1-CG 3.96Å; I485-W637 HydrophobicContact CG1-CD2 3.98Å; I485-W637 HydrophobicContact CG1-CE3 4.35Å; I485-W637 HydrophobicContact CG1-CG 4.49Å; I485-W637 HydrophobicContact CG1-CH2 4.26Å; I485-W637 HydrophobicContact CG1-CZ2 3.88Å; I485-W637 HydrophobicContact CG1-CZ3 4.48Å; R530-W637 PolarHBondContact NH1-O 3.22Å; W637-H639 AromaticContact CD2-CE1 3.77Å; W637-H639 AromaticContact CE3-CE1 3.47Å; W637-H639 VanDerWaalsContact CE3-CE1 3.47Å; W637-H639 AromaticContact CG-NE2 3.85Å; W637-A651 HydrophobicContact CH2-CB 3.73Å; W637-A651 HydrophobicContact CZ2-CB 4.45Å; W637-A651 HydrophobicContact CZ3-CB 4.17Å; W637-C659 HydrophobicContact CE3-CB 4.11Å; W637-C659 HydrophobicContact CZ3-CB 4.17Å
638Y92.9Very high92.5Very high131 Ų13153.8 Ų53.851%0.51430%0.296SS..  trans-122.5-27.7174.6-167.5-102.9000112.6T654 C659 I661Y638-T654 HydrophobicContact CD1-CG2 4.01Å; Y638-C659 PolarHBondContact N-O 3.46Å; Y638-I661 HydrophobicContact CD1-CG2 4.4Å; Y638-I661 HydrophobicContact CD2-CD1 3.54Å; Y638-I661 HydrophobicContact CD2-CG1 4.27Å; Y638-I661 HydrophobicContact CD2-CG2 4.42Å; Y638-I661 HydrophobicContact CE2-CD1 4.18Å; Y638-I661 HydrophobicContact CG-CD1 4.13Å; Y638-I661 HydrophobicContact CG-CG1 4.43Å; Y638-I661 HydrophobicContact CG-CG2 3.98Å
639H90.7Very high92.2Very high45 Ų4561.6 Ų61.621%0.20833%0.332CS..  trans50.171.1175.6-61.4-53.9000115.4W637 C641 G645 C659W637-H639 AromaticContact CD2-CE1 3.77Å; W637-H639 AromaticContact CE3-CE1 3.47Å; W637-H639 VanDerWaalsContact CE3-CE1 3.47Å; W637-H639 AromaticContact CG-NE2 3.85Å; H639-C641 PolarHBondContact O-N 2.98Å; H639-G645 WeakPolarHBondContact ND1-CA 3.38Å; H639-C659 PolarHBondContact N-O 3.35Å; H639-C659 VanDerWaalsContact N-O 3.12Å
640S81.8Confident92Very high75 Ų7564.2 Ų64.252%0.52435%0.346SS..  trans-74.4-5.5165.653.60000113.7G658S640-G658 PolarHBondContact OG-O 2.92Å
641C89.4Confident91.9Very high23 Ų2365.3 Ų65.316%0.15536%0.356CS..SBendtrans-70153-177.662.10000113H639 S643 R644 G645 C659H639-C641 PolarHBondContact O-N 2.98Å; C641-S643 PolarHBondContact O-N 2.91Å; C641-S643 VanDerWaalsContact O-N 3.14Å; C641-S643 PolarHBondContact SG-OG 2.95Å; C641-S643 VanDerWaalsContact SG-OG 3.4Å; C641-R644 PolarHBondContact O-N 3.32Å; C641-G645 PolarHBondContact SG-N 3.23Å; C641-G645 VanDerWaalsContact SG-N 3.4Å; C641-C659 VanDerWaalsContact SG-SG 3.67Å
642P86.3Confident91.8Very high138 Ų13871 Ų7190%0.89637%0.373SS*.THydrogen-bonded Turntrans-57.5-29.9177.7-26.935.1000114.2R644P642-R644 PolarHBondContact O-N 3.13Å
643S86.3Confident91.8Very high53 Ų5371.8 Ų71.837%0.37138%0.376SS..THydrogen-bonded Turntrans-75.9-4.7177.371.40000113.9C641 G645 K646C641-S643 PolarHBondContact O-N 2.91Å; C641-S643 VanDerWaalsContact O-N 3.14Å; C641-S643 PolarHBondContact SG-OG 2.95Å; C641-S643 VanDerWaalsContact SG-OG 3.4Å; S643-G645 PolarHBondContact O-N 3.46Å; S643-K646 WeakPolarHBondContact O-CB 3.29Å; S643-K646 WeakPolarHBondContact O-CG 3.48Å; S643-K646 PolarHBondContact O-N 3.38Å; S643-K646 VanDerWaalsContact O-N 3.1Å; S643-K646 PolarHBondContact OG-O 3.16Å; S643-K646 VanDerWaalsContact OG-O 3.1Å
644R84.5Confident91.7Very high208 Ų20872.7 Ų72.779%0.78538%0.375SS*.THydrogen-bonded Turntrans50.740.9-178.3-61.4-72.7-166.3158.24112.3C641 P642C641-R644 PolarHBondContact O-N 3.32Å; P642-R644 PolarHBondContact O-N 3.13Å
645G87.4Confident91.5Very high18 Ų1878.7 Ų78.719%0.18641%0.407CS..THydrogen-bonded Turntrans91.3-12.4177.400000116H639 C641 S643 S647 C648H639-G645 WeakPolarHBondContact ND1-CA 3.38Å; C641-G645 PolarHBondContact SG-N 3.23Å; C641-G645 VanDerWaalsContact SG-N 3.4Å; S643-G645 PolarHBondContact O-N 3.46Å; G645-S647 PolarHBondContact O-N 2.85Å; G645-S647 VanDerWaalsContact O-N 3.08Å; G645-C648 WeakPolarHBondContact O-CB 3.39Å; G645-C648 PolarHBondContact O-N 3.06Å; G645-C648 VanDerWaalsContact O-N 3.09Å
646K85.7Confident91.4Very high164 Ų16483 Ų8371%0.71343%0.428SS*.THydrogen-bonded Turntrans-58.7119175.3-67.2-178.6-178.9179.60110S643 C648S643-K646 WeakPolarHBondContact O-CB 3.29Å; S643-K646 WeakPolarHBondContact O-CG 3.48Å; S643-K646 PolarHBondContact O-N 3.38Å; S643-K646 VanDerWaalsContact O-N 3.1Å; S643-K646 PolarHBondContact OG-O 3.16Å; S643-K646 VanDerWaalsContact OG-O 3.1Å; K646-C648 PolarHBondContact O-N 3.42Å; K646-C648 VanDerWaalsContact O-N 3.1Å
647S86.9Confident91.1Very high119 Ų11985 Ų8583%0.83245%0.451SS*.THydrogen-bonded Turntrans52.926.9-178.2-53.30000114.3G645G645-S647 PolarHBondContact O-N 2.85Å; G645-S647 VanDerWaalsContact O-N 3.08Å
648C92.2Very high91.1Very high20 Ų2083.7 Ų83.714%0.13545%0.446CS..  trans-90.1127.4-179.7175.80000110.9G645 K646G645-C648 WeakPolarHBondContact O-CB 3.39Å; G645-C648 PolarHBondContact O-N 3.06Å; G645-C648 VanDerWaalsContact O-N 3.09Å; K646-C648 PolarHBondContact O-N 3.42Å; K646-C648 VanDerWaalsContact O-N 3.1Å
649H93.2Very high91.2Very high163 Ų16377.6 Ų77.676%0.75542%0.423SS*.  trans-121.210.6175.4-57.7-73.4000113.3A651H649-A651 PolarHBondContact O-N 3.43Å
650N94.5Very high91.5Very high55 Ų5575.4 Ų75.429%0.29441%0.413SS..  trans-7882.2-177.9-1752.5000111.5R652 G657 G658 C659N650-R652 PolarHBondContact O-N 3.12Å; N650-R652 WeakPolarHBondContact OD1-CB 3.41Å; N650-R652 PolarHBondContact OD1-NE 3.22Å; N650-R652 VanDerWaalsContact OD1-NE 3.17Å; N650-G657 PolarHBondContact ND2-O 2.91Å; N650-G658 WeakPolarHBondContact ND2-CA 3.48Å; N650-C659 WeakPolarHBondContact O-CB 3.46Å; N650-C659 PolarHBondContact O-N 3.41Å
651A95.5Very high92.3Very high24 Ų2473.6 Ų73.620%0.19840%0.397CS..  trans-76.18.5-177.900000114.9I485 K635 W637 H649 A660I485-A651 HydrophobicContact CG1-CB 4.05Å; I485-A651 WeakPolarHBondContact O-CB 3.48Å; K635-A651 WeakPolarHBondContact CE-O 3.4Å; W637-A651 HydrophobicContact CH2-CB 3.73Å; W637-A651 HydrophobicContact CZ2-CB 4.45Å; W637-A651 HydrophobicContact CZ3-CB 4.17Å; H649-A651 PolarHBondContact O-N 3.43Å; A651-A660 WeakPolarHBondContact O-CB 3.37Å
652R96.1Very high92.7Very high140 Ų14077 Ų7753%0.52841%0.407SS..SBendtrans-67.3159.8171-65.1-176-64.8158.4-0.1110.6N650 Q656 G658 C659 A660N650-R652 PolarHBondContact O-N 3.12Å; N650-R652 WeakPolarHBondContact OD1-CB 3.41Å; N650-R652 PolarHBondContact OD1-NE 3.22Å; N650-R652 VanDerWaalsContact OD1-NE 3.17Å; R652-Q656 HydrophobicContact CB-CB 4.45Å; R652-Q656 PolarHBondContact NH1-O 3.46Å; R652-G658 CarbonylContact O-C 3.56Å; R652-G658 VanDerWaalsContact O-C 3.26Å; R652-G658 WeakPolarHBondContact O-CA 3.28Å; R652-C659 PolarHBondContact O-N 3.48Å; R652-A660 VanDerWaalsContact O-CB 3.3Å; R652-A660 WeakPolarHBondContact O-CB 3.35Å; R652-A660 PolarHBondContact O-N 3.22Å
653L97.1Very high93.2Very high33 Ų3371 Ų7117%0.17337%0.366CS..BIsolated β-bridgetrans-68.4152.5178.6-62.6177.3000111.7N655 Q656 G657 G658 A660L653-N655 VanDerWaalsContact C-N 3.29Å; L653-N655 WeakPolarHBondContact CB-OD1 3.26Å; L653-N655 PolarHBondContact O-N 3.49Å; L653-Q656 HydrophobicContact CB-CB 4.48Å; L653-Q656 HydrophobicContact CB-CG 4.3Å; L653-Q656 CarbonylContact O-C 3.53Å; L653-Q656 VanDerWaalsContact O-CA 3.32Å; L653-Q656 WeakPolarHBondContact O-CA 3.22Å; L653-Q656 WeakPolarHBondContact O-CB 3.35Å; L653-Q656 PolarHBondContact O-N 2.89Å; L653-G657 PolarHBondContact O-N 3.35Å; L653-G658 WeakPolarHBondContact O-CA 3.47Å; L653-G658 PolarHBondContact O-N 3.43Å; L653-A660 CarbonylContact C-O 3.56Å; L653-A660 VanDerWaalsContact CA-O 3.22Å; L653-A660 WeakPolarHBondContact CA-O 3.49Å; L653-A660 HydrophobicContact CD2-CB 4.28Å
654T95.4Very high93.7Very high52 Ų5272 Ų7232%0.31937%0.367SS..G310 helixtrans-59.4-37.5179.650.80000113Y638 Q656 G657 G658 A660 I661Y638-T654 HydrophobicContact CD1-CG2 4.01Å; T654-Q656 PolarHBondContact O-N 3.33Å; T654-G657 PolarHBondContact O-N 3.37Å; T654-G657 VanDerWaalsContact O-N 3.11Å; T654-G658 WeakPolarHBondContact CA-O 3.41Å; T654-A660 PolarHBondContact N-O 3.1Å; T654-I661 HydrophobicContact CG2-CG2 3.81Å
655N94.5Very high94.4Very high133 Ų13362 Ų6271%0.71133%0.329SS*.G310 helixtrans-68.7-7.4172.266.3-14000113.8L653L653-N655 VanDerWaalsContact C-N 3.29Å; L653-N655 WeakPolarHBondContact CB-OD1 3.26Å; L653-N655 PolarHBondContact O-N 3.49Å
656Q95Very high94.8Very high108 Ų10867.8 Ų67.851%0.50535%0.349SS..G310 helixtrans-112.319.1174.1-61.2170.4-0.200111.7R652 L653 T654 G658R652-Q656 HydrophobicContact CB-CB 4.45Å; R652-Q656 PolarHBondContact NH1-O 3.46Å; L653-Q656 HydrophobicContact CB-CB 4.48Å; L653-Q656 HydrophobicContact CB-CG 4.3Å; L653-Q656 CarbonylContact O-C 3.53Å; L653-Q656 VanDerWaalsContact O-CA 3.32Å; L653-Q656 WeakPolarHBondContact O-CA 3.22Å; L653-Q656 WeakPolarHBondContact O-CB 3.35Å; L653-Q656 PolarHBondContact O-N 2.89Å; T654-Q656 PolarHBondContact O-N 3.33Å; Q656-G658 VanDerWaalsContact C-N 3.27Å; Q656-G658 PolarHBondContact O-N 3.02Å
657G92.1Very high95.4Very high55 Ų5565.3 Ų65.357%0.56734%0.34SS*.THydrogen-bonded Turntrans70.122-178.400000114N650 L653 T654N650-G657 PolarHBondContact ND2-O 2.91Å; L653-G657 PolarHBondContact O-N 3.35Å; T654-G657 PolarHBondContact O-N 3.37Å; T654-G657 VanDerWaalsContact O-N 3.11Å
658G94.8Very high95.9Very high0 Ų061 Ų610%031%0.307CS..SBendtrans-104-168.5173.800000114.2S640 N650 R652 L653 T654 Q656S640-G658 PolarHBondContact OG-O 2.92Å; N650-G658 WeakPolarHBondContact ND2-CA 3.48Å; R652-G658 CarbonylContact O-C 3.56Å; R652-G658 VanDerWaalsContact O-C 3.26Å; R652-G658 WeakPolarHBondContact O-CA 3.28Å; L653-G658 WeakPolarHBondContact O-CA 3.47Å; L653-G658 PolarHBondContact O-N 3.43Å; T654-G658 WeakPolarHBondContact CA-O 3.41Å; Q656-G658 VanDerWaalsContact C-N 3.27Å; Q656-G658 PolarHBondContact O-N 3.02Å
659C96.4Very high96.2Very high3 Ų360.3 Ų60.32%0.0230%0.303CS..SBendtrans-117.616.4-174.3-72.80000113.3W637 Y638 H639 C641 N650 R652W637-C659 HydrophobicContact CE3-CB 4.11Å; W637-C659 HydrophobicContact CZ3-CB 4.17Å; Y638-C659 PolarHBondContact N-O 3.46Å; H639-C659 PolarHBondContact N-O 3.35Å; H639-C659 VanDerWaalsContact N-O 3.12Å; C641-C659 VanDerWaalsContact SG-SG 3.67Å; N650-C659 WeakPolarHBondContact O-CB 3.46Å; N650-C659 PolarHBondContact O-N 3.41Å; R652-C659 PolarHBondContact O-N 3.48Å
660A97.1Very high96.3Very high0 Ų054 Ų540%028%0.282CS..EExtended strand (participates in β ladder)trans-111.5153.1179.900000112.8I485 K635 V636 A651 R652 L653 T654I485-A660 HydrophobicContact CD1-CB 3.76Å; K635-A660 HydrophobicContact CG-CB 4.28Å; V636-A660 VanDerWaalsContact O-CA 3.3Å; V636-A660 WeakPolarHBondContact O-CA 3.17Å; A651-A660 WeakPolarHBondContact O-CB 3.37Å; R652-A660 VanDerWaalsContact O-CB 3.3Å; R652-A660 WeakPolarHBondContact O-CB 3.35Å; R652-A660 PolarHBondContact O-N 3.22Å; L653-A660 CarbonylContact C-O 3.56Å; L653-A660 VanDerWaalsContact CA-O 3.22Å; L653-A660 WeakPolarHBondContact CA-O 3.49Å; L653-A660 HydrophobicContact CD2-CB 4.28Å; T654-A660 PolarHBondContact N-O 3.1Å
661I97Very high96.2Very high37 Ų3754.2 Ų54.219%0.1928%0.283CS..EExtended strand (participates in β ladder)trans-134.6163.1166.663.7172.1000110K635 V636 Y638 T654 Y663K635-I661 CarbonylContact C-O 3.46Å; K635-I661 WeakPolarHBondContact CA-O 3.4Å; V636-I661 HydrophobicContact CG2-CD1 4.29Å; V636-I661 HydrophobicContact CG2-CG1 3.65Å; V636-I661 PolarHBondContact N-O 3.37Å; V636-I661 PolarHBondContact O-N 3.37Å; Y638-I661 HydrophobicContact CD1-CG2 4.4Å; Y638-I661 HydrophobicContact CD2-CD1 3.54Å; Y638-I661 HydrophobicContact CD2-CG1 4.27Å; Y638-I661 HydrophobicContact CD2-CG2 4.42Å; Y638-I661 HydrophobicContact CE2-CD1 4.18Å; Y638-I661 HydrophobicContact CG-CD1 4.13Å; Y638-I661 HydrophobicContact CG-CG1 4.43Å; Y638-I661 HydrophobicContact CG-CG2 3.98Å; T654-I661 HydrophobicContact CG2-CG2 3.81Å; I661-Y663 HydrophobicContact CD1-CD2 4.37Å
662W97.8Very high96.1Very high95 Ų9553.2 Ų53.236%0.3627%0.274SS..EExtended strand (participates in β ladder)trans-90.5115164.1-74.6102.3000109.3P498 G633 E634 K635P498-W662 HydrophobicContact CB-CH2 3.5Å; P498-W662 HydrophobicContact CB-CZ2 3.97Å; P498-W662 HydrophobicContact CB-CZ3 4.17Å; G633-W662 WeakPolarHBondContact O-CZ3 3.46Å; E634-W662 CarbonylContact O-C 3.59Å; E634-W662 WeakPolarHBondContact O-CA 3.47Å; K635-W662 HydrophobicContact CB-CD2 4.26Å; K635-W662 HydrophobicContact CB-CE3 4.05Å; K635-W662 HydrophobicContact CB-CH2 3.89Å; K635-W662 HydrophobicContact CB-CZ2 4.12Å; K635-W662 HydrophobicContact CB-CZ3 3.87Å; K635-W662 HydrophobicContact CD-CZ2 4.32Å; K635-W662 HydrophobicContact CG-CZ2 4.49Å; K635-W662 VanDerWaalsContact N-CE3 3.35Å
663Y97.3Very high96Very high12 Ų1248.2 Ų48.25%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-89.4124.1178.7-157.7-117.3000110T601 L602 P603 D604 G633 E634 V636 I661 E665 L668T601-Y663 HydrophobicContact CG2-CD1 4.43Å; T601-Y663 HydrophobicContact CG2-CE1 3.87Å; L602-Y663 PolarHBondContact O-OH 3.47Å; P603-Y663 VanDerWaalsContact C-OH 3.31Å; P603-Y663 PolarHBondContact O-OH 3.02Å; D604-Y663 WeakPolarHBondContact CA-OH 3.29Å; D604-Y663 PolarHBondContact N-OH 2.9Å; D604-Y663 WeakPolarHBondContact OD1-CE2 3.27Å; D604-Y663 PolarHBondContact OD1-OH 3.49Å; G633-Y663 WeakPolarHBondContact CA-O 3.32Å; E634-Y663 PolarHBondContact N-O 2.96Å; E634-Y663 WeakPolarHBondContact O-CB 3.18Å; E634-Y663 PolarHBondContact O-N 3.25Å; V636-Y663 HydrophobicContact CG2-CD2 4.4Å; V636-Y663 HydrophobicContact CG2-CG 4.23Å; I661-Y663 HydrophobicContact CD1-CD2 4.37Å; Y663-E665 HydrophobicContact CD1-CG 3.5Å; Y663-E665 HydrophobicContact CE1-CG 3.53Å; Y663-L668 HydrophobicContact CD1-CD1 4.3Å; Y663-L668 HydrophobicContact CD2-CD1 4.33Å; Y663-L668 HydrophobicContact CE1-CD1 3.53Å; Y663-L668 HydrophobicContact CE2-CD1 3.57Å; Y663-L668 WeakPolarHBondContact OH-CD1 3.37Å
664N97.6Very high95.6Very high72 Ų7253.8 Ų53.839%0.38528%0.282SS..  trans-112.585.1-176.9-174.2-3.7000110K666 Q667 L668N664-K666 PolarHBondContact O-N 3.34Å; N664-K666 PolarHBondContact OD1-N 3.25Å; N664-Q667 HydrophobicContact CB-CB 4.1Å; N664-Q667 PolarHBondContact O-N 3.47Å; N664-Q667 VanDerWaalsContact O-N 3.12Å; N664-Q667 PolarHBondContact OD1-N 3.2Å; N664-L668 PolarHBondContact O-N 2.92Å; N664-L668 VanDerWaalsContact O-N 3.11Å
665E98.3Very high95Very high0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-64.7-25.8-179.2-65.9-167163.600113.2K509 T601 L602 V629 S630 Y663 Q667 L668 L669K509-E665 IonicContact NZ-OE1 3.52Å; K509-E665 PolarHBondContact NZ-OE1 3.19Å; K509-E665 IonicContact NZ-OE2 3.81Å; K509-E665 PolarHBondContact NZ-OE2 2.98Å; T601-E665 WeakPolarHBondContact CA-OE1 3.39Å; T601-E665 WeakPolarHBondContact CG2-OE1 3.26Å; L602-E665 HydrophobicContact CB-CG 4.48Å; L602-E665 HydrophobicContact CD1-CB 4.23Å; L602-E665 WeakPolarHBondContact CD1-O 3.42Å; L602-E665 PolarHBondContact N-OE1 2.62Å; V629-E665 WeakPolarHBondContact CA-OE2 3.41Å; V629-E665 HydrophobicContact CG1-CB 3.88Å; S630-E665 PolarHBondContact N-OE2 2.94Å; Y663-E665 HydrophobicContact CD1-CG 3.5Å; Y663-E665 HydrophobicContact CE1-CG 3.53Å; E665-Q667 VanDerWaalsContact C-N 3.33Å; E665-L668 PolarHBondContact O-N 3.34Å; E665-L669 WeakPolarHBondContact O-CB 3.33Å; E665-L669 PolarHBondContact O-N 2.77Å
666K96.8Very high94.5Very high138 Ų13848.7 Ų48.760%0.625%0.251SS*.Hα-helixtrans-65.9-38.5174.4-170.2178.9-178.8-179.40111.8N664 G670N664-K666 PolarHBondContact O-N 3.34Å; N664-K666 PolarHBondContact OD1-N 3.25Å; K666-G670 PolarHBondContact O-N 2.96Å; K666-G670 VanDerWaalsContact O-N 3.15Å
667Q97.4Very high93.9Very high113 Ų11346.8 Ų46.853%0.52826%0.26SS..Hα-helixtrans-67.9-46.2173.6179.2177.3-0.800110.9N664 E665 L669 G670 D671N664-Q667 HydrophobicContact CB-CB 4.1Å; N664-Q667 PolarHBondContact O-N 3.47Å; N664-Q667 VanDerWaalsContact O-N 3.12Å; N664-Q667 PolarHBondContact OD1-N 3.2Å; E665-Q667 VanDerWaalsContact C-N 3.33Å; Q667-L669 VanDerWaalsContact C-N 3.27Å; Q667-L669 PolarHBondContact O-N 2.86Å; Q667-G670 CarbonylContact O-C 3.54Å; Q667-G670 WeakPolarHBondContact O-CA 3.25Å; Q667-G670 PolarHBondContact O-N 2.81Å; Q667-D671 PolarHBondContact O-N 3.46Å
668L97.7Very high93.5Very high27 Ų2748.2 Ų48.214%0.14126%0.257CS..Hα-helixtrans-59.9-38177.6-64.9170.9000112.3L602 Y663 N664 E665 D671 I672L602-L668 HydrophobicContact CD1-CB 4.23Å; Y663-L668 HydrophobicContact CD1-CD1 4.3Å; Y663-L668 HydrophobicContact CD2-CD1 4.33Å; Y663-L668 HydrophobicContact CE1-CD1 3.53Å; Y663-L668 HydrophobicContact CE2-CD1 3.57Å; Y663-L668 WeakPolarHBondContact OH-CD1 3.37Å; N664-L668 PolarHBondContact O-N 2.92Å; N664-L668 VanDerWaalsContact O-N 3.11Å; E665-L668 PolarHBondContact O-N 3.34Å; L668-D671 PolarHBondContact O-N 3.12Å; L668-I672 WeakPolarHBondContact O-CD1 3.32Å; L668-I672 VanDerWaalsContact O-CG1 3.22Å; L668-I672 WeakPolarHBondContact O-CG1 3.35Å; L668-I672 PolarHBondContact O-N 3.34Å
669L97.6Very high93.3Very high7 Ų753 Ų534%0.03729%0.291CS..Hα-helixtrans-60.1-46.1171.6177.460.8000111.1V462 M464 L602 V629 E665 Q667 D671 I672 E673 I680V462-L669 HydrophobicContact CG1-CD2 4.02Å; V462-L669 HydrophobicContact CG2-CD1 3.73Å; V462-L669 HydrophobicContact CG2-CD2 4.36Å; M464-L669 HydrophobicContact SD-CD2 4.5Å; L602-L669 HydrophobicContact CD1-CB 3.95Å; V629-L669 HydrophobicContact CG1-CB 4.37Å; V629-L669 HydrophobicContact CG1-CD2 4.2Å; V629-L669 HydrophobicContact CG2-CD2 4.41Å; E665-L669 WeakPolarHBondContact O-CB 3.33Å; E665-L669 PolarHBondContact O-N 2.77Å; Q667-L669 VanDerWaalsContact C-N 3.27Å; Q667-L669 PolarHBondContact O-N 2.86Å; L669-D671 PolarHBondContact O-N 3.44Å; L669-I672 WeakPolarHBondContact O-CB 3.06Å; L669-I672 PolarHBondContact O-N 3.25Å; L669-E673 HydrophobicContact CD1-CG 4.13Å; L669-E673 HydrophobicContact CG-CG 4.41Å; L669-E673 WeakPolarHBondContact O-CG 3.29Å; L669-E673 PolarHBondContact O-N 3.29Å; L669-I680 HydrophobicContact CD1-CD1 3.86Å
670G95.7Very high93.1Very high31 Ų3153 Ų5332%0.3229%0.291SS..Hα-helixtrans-59.6-43.6175.800000112.8K666 Q667 I672 E673 E674K666-G670 PolarHBondContact O-N 2.96Å; K666-G670 VanDerWaalsContact O-N 3.15Å; Q667-G670 CarbonylContact O-C 3.54Å; Q667-G670 WeakPolarHBondContact O-CA 3.25Å; Q667-G670 PolarHBondContact O-N 2.81Å; G670-I672 VanDerWaalsContact C-N 3.27Å; G670-I672 PolarHBondContact O-N 3.24Å; G670-E673 PolarHBondContact O-N 3.05Å; G670-E674 WeakPolarHBondContact O-CB 3.45Å; G670-E674 PolarHBondContact O-N 3.28Å
671D93.7Very high92.8Very high58 Ų5857.2 Ų57.231%0.3131%0.311SS..Hα-helixtrans-63.8-33.9177-60.7-20.9000111.8K606 Q667 L668 L669 H675K606-D671 WeakPolarHBondContact CD-O 3.22Å; Q667-D671 PolarHBondContact O-N 3.46Å; L668-D671 PolarHBondContact O-N 3.12Å; L669-D671 PolarHBondContact O-N 3.44Å; D671-H675 WeakPolarHBondContact O-CB 3.46Å; D671-H675 PolarHBondContact O-N 3.07Å
672I92.7Very high92.6Very high4 Ų461.2 Ų61.22%0.02133%0.328CS..Hα-helixtrans-69.2-50.9173.4-70.2160.5000110.4L602 K606 Y609 L668 L669 G670 E674 H675 L676 I680L602-I672 HydrophobicContact CD1-CD1 4.34Å; L602-I672 HydrophobicContact CD2-CD1 4.27Å; K606-I672 HydrophobicContact CB-CG1 3.82Å; Y609-I672 HydrophobicContact CD1-CG2 3.51Å; Y609-I672 HydrophobicContact CD2-CD1 3.81Å; Y609-I672 HydrophobicContact CD2-CG2 4.4Å; Y609-I672 HydrophobicContact CE1-CG2 3.83Å; Y609-I672 HydrophobicContact CG-CD1 3.85Å; Y609-I672 HydrophobicContact CG-CG1 4.25Å; Y609-I672 HydrophobicContact CG-CG2 3.84Å; L668-I672 WeakPolarHBondContact O-CD1 3.32Å; L668-I672 VanDerWaalsContact O-CG1 3.22Å; L668-I672 WeakPolarHBondContact O-CG1 3.35Å; L668-I672 PolarHBondContact O-N 3.34Å; L669-I672 WeakPolarHBondContact O-CB 3.06Å; L669-I672 PolarHBondContact O-N 3.25Å; G670-I672 VanDerWaalsContact C-N 3.27Å; G670-I672 PolarHBondContact O-N 3.24Å; I672-E674 VanDerWaalsContact C-N 3.32Å; I672-E674 PolarHBondContact O-N 3.21Å; I672-H675 WeakPolarHBondContact O-CB 3.44Å; I672-H675 PolarHBondContact O-N 3.03Å; I672-H675 VanDerWaalsContact O-N 3.07Å; I672-L676 HydrophobicContact CG2-CD1 3.9Å; I672-L676 HydrophobicContact CG2-CG 4.31Å; I672-L676 VanDerWaalsContact O-CG 3.31Å; I672-L676 WeakPolarHBondContact O-CG 3.26Å; I672-L676 PolarHBondContact O-N 2.92Å; I672-I680 HydrophobicContact CG2-CD1 3.9Å
673E93.4Very high92.4Very high35 Ų3557.4 Ų57.416%0.16432%0.316CS..Hα-helixtrans-61.7-39-179.7-70.3-178.4146.200112.1L669 G670 H675 L676 G677 V678 S679 I680L669-E673 HydrophobicContact CD1-CG 4.13Å; L669-E673 HydrophobicContact CG-CG 4.41Å; L669-E673 WeakPolarHBondContact O-CG 3.29Å; L669-E673 PolarHBondContact O-N 3.29Å; G670-E673 PolarHBondContact O-N 3.05Å; E673-H675 VanDerWaalsContact C-N 3.33Å; E673-H675 PolarHBondContact O-N 3.3Å; E673-L676 PolarHBondContact O-N 3.49Å; E673-G677 PolarHBondContact O-N 2.8Å; E673-V678 WeakPolarHBondContact CA-O 3.3Å; E673-V678 WeakPolarHBondContact CB-O 3.41Å; E673-V678 PolarHBondContact O-N 3.11Å; E673-S679 WeakPolarHBondContact OE1-CA 3.3Å; E673-I680 HydrophobicContact CG-CD1 4.22Å; E673-I680 HydrophobicContact CG-CG1 4.13Å; E673-I680 PolarHBondContact OE1-N 3.35Å
674E89Confident92.1Very high149 Ų14961.2 Ų61.270%0.69634%0.337SS*.Hα-helixtrans-60.8-42.7172.2-175.8-174.9-167.700111.4G670 I672 L676 G677G670-E674 WeakPolarHBondContact O-CB 3.45Å; G670-E674 PolarHBondContact O-N 3.28Å; I672-E674 VanDerWaalsContact C-N 3.32Å; I672-E674 PolarHBondContact O-N 3.21Å; E674-L676 VanDerWaalsContact C-N 3.34Å; E674-G677 PolarHBondContact O-N 2.92Å
675H83.9Confident91.7Very high54 Ų5460.5 Ų60.525%0.2534%0.338CS..Hα-helixtrans-66.6-35.3178.2-172.479000113.2D452 K606 D671 I672 E673 G677D452-H675 VanDerWaalsContact CB-NE2 3.31Å; D452-H675 WeakPolarHBondContact CB-NE2 3.35Å; D452-H675 IonicContact OD2-CE1 3.94Å; D452-H675 PolarHBondContact OD2-CE1 3.43Å; D452-H675 IonicContact OD2-NE2 2.74Å; D452-H675 PolarHBondContact OD2-NE2 3.22Å; K606-H675 HydrophobicContact CB-CB 4.46Å; K606-H675 HydrophobicContact CD-CB 3.79Å; K606-H675 VanDerWaalsContact CE-ND1 3.26Å; K606-H675 WeakPolarHBondContact CE-ND1 3.35Å; K606-H675 HydrophobicContact CG-CB 4.27Å; K606-H675 PolarHBondContact NZ-ND1 3.26Å; D671-H675 WeakPolarHBondContact O-CB 3.46Å; D671-H675 PolarHBondContact O-N 3.07Å; I672-H675 WeakPolarHBondContact O-CB 3.44Å; I672-H675 PolarHBondContact O-N 3.03Å; I672-H675 VanDerWaalsContact O-N 3.07Å; E673-H675 VanDerWaalsContact C-N 3.33Å; E673-H675 PolarHBondContact O-N 3.3Å; H675-G677 VanDerWaalsContact C-N 3.35Å
676L84.2Confident91.2Very high25 Ų2564.9 Ų64.913%0.13136%0.358CS..Hα-helixtrans-80.3-17.8176.4-61.5179.2000112.7V454 Y609 L610 I672 E673 E674 V678 I680V454-L676 HydrophobicContact CG2-CD1 3.99Å; V454-L676 HydrophobicContact CG2-CD2 3.79Å; V454-L676 HydrophobicContact CG2-CG 4.5Å; Y609-L676 HydrophobicContact CE1-CD1 4.2Å; L610-L676 HydrophobicContact CD1-CD2 4.23Å; L610-L676 HydrophobicContact CD2-CD2 3.65Å; L610-L676 HydrophobicContact CG-CD2 4.14Å; I672-L676 HydrophobicContact CG2-CD1 3.9Å; I672-L676 HydrophobicContact CG2-CG 4.31Å; I672-L676 VanDerWaalsContact O-CG 3.31Å; I672-L676 WeakPolarHBondContact O-CG 3.26Å; I672-L676 PolarHBondContact O-N 2.92Å; E673-L676 PolarHBondContact O-N 3.49Å; E674-L676 VanDerWaalsContact C-N 3.34Å; L676-V678 HydrophobicContact CB-CG2 3.95Å; L676-V678 PolarHBondContact O-N 2.98Å; L676-I680 HydrophobicContact CD1-CD1 4.2Å; L676-I680 HydrophobicContact CD1-CG1 4.26Å
677G81.5Confident90.9Very high67 Ų6758.3 Ų58.369%0.69133%0.329SS*.THydrogen-bonded Turntrans70.39.6-173.100000114.2E673 E674 H675E673-G677 PolarHBondContact O-N 2.8Å; E674-G677 PolarHBondContact O-N 2.92Å; H675-G677 VanDerWaalsContact C-N 3.35Å
678V84.3Confident90.2Very high85 Ų8558.3 Ų58.352%0.51533%0.328SS..SBendtrans-144.4148.6-177.5-64.40000110.8E673 L676E673-V678 WeakPolarHBondContact CA-O 3.3Å; E673-V678 WeakPolarHBondContact CB-O 3.41Å; E673-V678 PolarHBondContact O-N 3.11Å; L676-V678 HydrophobicContact CB-CG2 3.95Å; L676-V678 PolarHBondContact O-N 2.98Å
679S89.4Confident89.5Confident100 Ų10058 Ų5870%0.69933%0.326SS*.PPolyproline II helixtrans-78141.9171-61.90000111.2E673E673-S679 WeakPolarHBondContact OE1-CA 3.3Å
680I92.8Very high88.1Confident5 Ų560.7 Ų60.73%0.02635%0.345CS..PPolyproline II helixtrans-84.9136.4178.5-58.7163.3000108.6V462 Y609 L669 I672 E673 L676 Q682V462-I680 HydrophobicContact CB-CG2 4.45Å; V462-I680 HydrophobicContact CG2-CB 4.06Å; V462-I680 HydrophobicContact CG2-CD1 4.43Å; V462-I680 HydrophobicContact CG2-CG2 3.75Å; Y609-I680 HydrophobicContact CE1-CD1 4Å; Y609-I680 WeakPolarHBondContact OH-CD1 3.48Å; L669-I680 HydrophobicContact CD1-CD1 3.86Å; I672-I680 HydrophobicContact CG2-CD1 3.9Å; E673-I680 HydrophobicContact CG-CD1 4.22Å; E673-I680 HydrophobicContact CG-CG1 4.13Å; E673-I680 PolarHBondContact OE1-N 3.35Å; L676-I680 HydrophobicContact CD1-CD1 4.2Å; L676-I680 HydrophobicContact CD1-CG1 4.26Å; I680-Q682 PolarHBondContact O-N 2.84Å
681Q91.4Very high86.4Confident88 Ų8862.7 Ų62.741%0.41136%0.358SS..EExtended strand (participates in β ladder)trans-57.5126.4179.7-175.7-174.747.900110.9H459 V461 V462H459-Q681 PolarHBondContact NE2-OE1 3.03Å; V461-Q681 CarbonylContact C-O 3.54Å; V461-Q681 VanDerWaalsContact CA-O 3.3Å; V461-Q681 WeakPolarHBondContact CA-O 3.34Å; V461-Q681 HydrophobicContact CG1-CB 4.32Å; V462-Q681 PolarHBondContact N-O 3.41Å
682Q92.9Very high84.6Confident121 Ų12163.9 Ų63.957%0.56536%0.364SS*.EExtended strand (participates in β ladder)trans-92.5132.7174-64.2-173.722.500110.8V462 I680V462-Q682 HydrophobicContact CB-CG 4.28Å; V462-Q682 HydrophobicContact CG1-CG 4.26Å; V462-Q682 CarbonylContact O-C 3.58Å; V462-Q682 VanDerWaalsContact O-CA 3.3Å; V462-Q682 WeakPolarHBondContact O-CA 3.42Å; I680-Q682 PolarHBondContact O-N 2.84Å
683V92.5Very high82.4Confident15 Ų1572 Ų729%0.09140%0.402CS..EExtended strand (participates in β ladder)trans-113146.3174.6-179.10000108.6V461 V462 V463 K688 V689V461-V683 HydrophobicContact CB-CG2 3.89Å; V461-V683 HydrophobicContact CG1-CG2 3.94Å; V461-V683 HydrophobicContact CG2-CG2 4.25Å; V462-V683 PolarHBondContact O-N 3Å; V463-V683 HydrophobicContact CG2-CB 4.38Å; V683-K688 WeakPolarHBondContact CG1-O 3.3Å; V683-V689 HydrophobicContact CG2-CG2 4.5Å
684D92.3Very high80.1Confident91 Ų9174.3 Ų74.349%0.48741%0.412SS..  trans-66.8176.8179.866.131.2000113.4E686 I687D684-E686 PolarHBondContact O-N 2.8Å; D684-E686 VanDerWaalsContact O-N 3.12Å; D684-E686 WeakPolarHBondContact OD1-CA 3.47Å; D684-E686 WeakPolarHBondContact OD1-CB 3.36Å; D684-E686 PolarHBondContact OD1-N 3.25Å; D684-I687 PolarHBondContact O-N 3.49Å; D684-I687 PolarHBondContact OD1-N 3.01Å
685S88.4Confident77.9Confident58 Ų5873.7 Ų73.741%0.40641%0.413SS..THydrogen-bonded Turntrans-66.1-8.917956.80000114.3Y512 Q515 I687Y512-S685 WeakPolarHBondContact OH-CB 3.29Å; Q515-S685 PolarHBondContact NE2-O 2.9Å; Q515-S685 PolarHBondContact OE1-O 3.32Å; S685-I687 VanDerWaalsContact C-N 3.28Å
686E88.5Confident76Confident92 Ų9273.8 Ų73.843%0.4343%0.429SS..THydrogen-bonded Turntrans-77-19.6171.2-57.6-166.2164.100111.7Q515 D684 K688Q515-E686 VanDerWaalsContact NE2-CA 3.32Å; Q515-E686 PolarHBondContact NE2-O 2.95Å; D684-E686 PolarHBondContact O-N 2.8Å; D684-E686 VanDerWaalsContact O-N 3.12Å; D684-E686 WeakPolarHBondContact OD1-CA 3.47Å; D684-E686 WeakPolarHBondContact OD1-CB 3.36Å; D684-E686 PolarHBondContact OD1-N 3.25Å; E686-K688 HydrophobicContact CB-CD 4.37Å; E686-K688 HydrophobicContact CB-CG 4.28Å; E686-K688 PolarHBondContact O-N 3.4Å; E686-K688 WeakPolarHBondContact OE2-CD 3.43Å; E686-K688 WeakPolarHBondContact OE2-CE 3.25Å; E686-K688 IonicContact OE2-NZ 3.24Å; E686-K688 PolarHBondContact OE2-NZ 3.47Å
687I89.8Confident74.3Confident0 Ų082.1 Ų82.10%046%0.464CS..  trans57.135.3-177.9-40.5-176.4000111.1V463 Y512 Q515 A516 Q519 N520 I626 D684 S685 V689V463-I687 HydrophobicContact CG1-CD1 4.28Å; V463-I687 HydrophobicContact CG1-CG1 4.03Å; V463-I687 HydrophobicContact CG2-CD1 4.39Å; V463-I687 HydrophobicContact CG2-CG1 4.09Å; V463-I687 HydrophobicContact CG2-CG2 3.99Å; Y512-I687 HydrophobicContact CD1-CD1 4Å; Y512-I687 HydrophobicContact CG-CD1 4.43Å; Y512-I687 WeakPolarHBondContact O-CD1 3.32Å; Q515-I687 HydrophobicContact CB-CD1 4.11Å; Q515-I687 HydrophobicContact CG-CD1 4.14Å; Q515-I687 HydrophobicContact CG-CG1 4.35Å; A516-I687 HydrophobicContact CB-CD1 4.08Å; A516-I687 HydrophobicContact CB-CG2 4.12Å; Q519-I687 VanDerWaalsContact CG-O 3.28Å; Q519-I687 WeakPolarHBondContact CG-O 3.37Å; N520-I687 PolarHBondContact ND2-O 3.03Å; I626-I687 HydrophobicContact CD1-CG2 4.2Å; I626-I687 HydrophobicContact CG2-CG2 4.36Å; D684-I687 PolarHBondContact O-N 3.49Å; D684-I687 PolarHBondContact OD1-N 3.01Å; S685-I687 VanDerWaalsContact C-N 3.28Å; I687-V689 HydrophobicContact CG2-CG2 4.45Å; I687-V689 PolarHBondContact O-N 3.32Å; I687-V689 VanDerWaalsContact O-N 3.13Å
688K83.6Confident73Confident113 Ų11380.7 Ų80.749%0.49144%0.442SS..  trans-79.487.3168.3-78.2174.7-179.1162.10108.3Q519 V683 E686 P690Q519-K688 HydrophobicContact CG-CG 4.19Å; V683-K688 WeakPolarHBondContact CG1-O 3.3Å; E686-K688 HydrophobicContact CB-CD 4.37Å; E686-K688 HydrophobicContact CB-CG 4.28Å; E686-K688 PolarHBondContact O-N 3.4Å; E686-K688 WeakPolarHBondContact OE2-CD 3.43Å; E686-K688 WeakPolarHBondContact OE2-CE 3.25Å; E686-K688 IonicContact OE2-NZ 3.24Å; E686-K688 PolarHBondContact OE2-NZ 3.47Å; K688-P690 VanDerWaalsContact O-CD 3.27Å; K688-P690 WeakPolarHBondContact O-CD 3.02Å
689V81.7Confident71.8Confident19 Ų1980.9 Ų80.912%0.11544%0.443CS..  trans-67.3119.2175.7-176.40000108.2H459 V461 L624 I626 V683 I687 A691H459-V689 VanDerWaalsContact CE1-CG1 3.4Å; H459-V689 WeakPolarHBondContact CE1-CG1 3.37Å; V461-V689 HydrophobicContact CG1-CG1 3.95Å; V461-V689 HydrophobicContact CG2-CG1 4.47Å; V461-V689 HydrophobicContact CG2-CG2 3.92Å; L624-V689 HydrophobicContact CD1-CG1 3.91Å; L624-V689 HydrophobicContact CD2-CB 4.44Å; L624-V689 HydrophobicContact CD2-CG1 4.41Å; L624-V689 HydrophobicContact CD2-CG2 4.24Å; I626-V689 HydrophobicContact CD1-CG2 4.36Å; V683-V689 HydrophobicContact CG2-CG2 4.5Å; I687-V689 HydrophobicContact CG2-CG2 4.45Å; I687-V689 PolarHBondContact O-N 3.32Å; I687-V689 VanDerWaalsContact O-N 3.13Å; V689-A691 PolarHBondContact O-N 2.94Å
690P68.2Low70.9Confident65 Ų6578 Ų7842%0.42242%0.417SS..  trans-54.4139.1172.1-22.233.9000109H459 K688 D692H459-P690 PolarHBondContact CE1-O 2.98Å; K688-P690 VanDerWaalsContact O-CD 3.27Å; K688-P690 WeakPolarHBondContact O-CD 3.02Å; P690-D692 PolarHBondContact O-N 2.87Å
691A61.4Low69.1Low72 Ų7279.1 Ų79.160%0.59543%0.43SS*.  trans-65.4108.6169.300000106.8V689 E693V689-A691 PolarHBondContact O-N 2.94Å; A691-E693 PolarHBondContact O-N 2.67Å
692D54.6Low67.5Low84 Ų8481.3 Ų81.345%0.44944%0.44SS..  trans-63.6122.9171.7-156.11.7000107.2H459 P690 F694H459-D692 IonicContact CD2-OD2 2.83Å; H459-D692 IonicContact CG-OD2 2.78Å; P690-D692 PolarHBondContact O-N 2.87Å; D692-F694 PolarHBondContact O-N 3.01Å
693E46.5Very low65.4Low174 Ų17481.2 Ų81.281%0.81344%0.438SS*.  trans-74.980.8-177.4-75.8-169168.100109.3A691 D695A691-E693 PolarHBondContact O-N 2.67Å; E693-D695 PolarHBondContact O-N 2.82Å
694F45.3Very low63.3Low84 Ų8486.3 Ų86.337%0.36846%0.455SS..SBendtrans-81.295.5159.5-162.3-93000108.3M622 D692 G696 V698M622-F694 HydrophobicContact CE-CB 4.37Å; M622-F694 HydrophobicContact CG-CB 4.42Å; M622-F694 HydrophobicContact SD-CB 4.19Å; M622-F694 HydrophobicContact SD-CD1 4.45Å; M622-F694 HydrophobicContact SD-CD2 4.2Å; M622-F694 HydrophobicContact SD-CG 4.02Å; D692-F694 PolarHBondContact O-N 3.01Å; F694-G696 PolarHBondContact O-N 3.43Å; F694-V698 HydrophobicContact CB-CG2 3.69Å
695D43.1Very low61.1Low135 Ų13591.8 Ų91.872%0.72248%0.475SS*.THydrogen-bonded Turntrans52.445.9168.6-147.820.1000115.4E693E693-D695 PolarHBondContact O-N 2.82Å
696G44.7Very low58.8Low56 Ų5697.8 Ų97.858%0.57750%0.496SS*.THydrogen-bonded Turntrans97.9-0.3157.400000119.2F694F694-G696 PolarHBondContact O-N 3.43Å
697K47.4Very low56.5Low201 Ų20197 Ų9787%0.87450%0.498SS*.  trans172.4122.1159.2-98.4155.1-167.4-179.80111.4
698V53.8Low54.1Low36 Ų36100.8 Ų100.822%0.21854%0.537CS..  trans-115.7131177.6-176.90000112M622 F694 Y700M622-V698 HydrophobicContact CB-CG1 3.76Å; M622-V698 HydrophobicContact CG-CG1 3.73Å; M622-V698 HydrophobicContact CG-CG2 4.31Å; F694-V698 HydrophobicContact CB-CG2 3.69Å; V698-Y700 HydrophobicContact CG1-CD1 4.35Å; V698-Y700 HydrophobicContact CG1-CE1 4.37Å
699V60.3Low52.1Low90 Ų9098.8 Ų98.855%0.54554%0.537SS..  trans-118.1112.8159-179.80000106.9G701 Q702V699-G701 PolarHBondContact O-N 3.29Å; V699-Q702 HydrophobicContact CB-CB 4.35Å; V699-Q702 HydrophobicContact CB-CG 4.17Å; V699-Q702 HydrophobicContact CG1-CG 3.97Å; V699-Q702 PolarHBondContact O-N 2.82Å
700Y69.7Low50.2Low39 Ų39100.9 Ų100.915%0.15356%0.562CS.*THydrogen-bonded Turntrans-51.7131.4178.9-58.5-68.9000110.9H459 F596 M622 L624 V698 Q702H459-Y700 HydrophobicContact CB-CE1 4.2Å; H459-Y700 AromaticContact ND1-CZ 3.85Å; H459-Y700 PolarHBondContact ND1-OH 2.88Å; F596-Y700 AromaticContact CE1-CD2 3.9Å; F596-Y700 HydrophobicContact CE1-CD2 3.9Å; F596-Y700 AromaticContact CE1-CG 3.97Å; F596-Y700 HydrophobicContact CE1-CG 3.97Å; F596-Y700 HydrophobicContact CZ-CD2 4.35Å; F596-Y700 HydrophobicContact CZ-CG 4.33Å; M622-Y700 HydrophobicContact CB-CD1 4Å; M622-Y700 HydrophobicContact CB-CE1 4.29Å; L624-Y700 HydrophobicContact CB-CD1 3.77Å; L624-Y700 HydrophobicContact CB-CD2 4.17Å; L624-Y700 HydrophobicContact CB-CE1 3.75Å; L624-Y700 HydrophobicContact CB-CE2 4.15Å; L624-Y700 HydrophobicContact CB-CG 4Å; L624-Y700 HydrophobicContact CD2-CD2 4.14Å; L624-Y700 HydrophobicContact CD2-CE2 3.81Å; L624-Y700 HydrophobicContact CG-CE2 4.43Å; V698-Y700 HydrophobicContact CG1-CD1 4.35Å; V698-Y700 HydrophobicContact CG1-CE1 4.37Å; Y700-Q702 PolarHBondContact O-N 3.48Å
701G55.5Low49.3Very low28 Ų28106.2 Ų106.229%0.28958%0.575SS.*THydrogen-bonded Turntrans85-12.5179.700000117.5V699V699-G701 PolarHBondContact O-N 3.29Å
702Q56.5Low48.6Very low134 Ų134112 Ų11263%0.62659%0.587SS**  trans-79.3136174.1-76.7-168.3-15.200112.2V699 Y700V699-Q702 HydrophobicContact CB-CB 4.35Å; V699-Q702 HydrophobicContact CB-CG 4.17Å; V699-Q702 HydrophobicContact CG1-CG 3.97Å; V699-Q702 PolarHBondContact O-N 2.82Å; Y700-Q702 PolarHBondContact O-N 3.48Å
703K48.9Very low48.4Very low120 Ų120109.8 Ų109.852%0.52258%0.584SS.*  trans-75.8135172.8-157.9-176.7-174.2-175.80109.6E620 K705E620-K703 WeakPolarHBondContact OE2-CE 3.27Å; E620-K703 IonicContact OE2-NZ 2.66Å; K703-K705 PolarHBondContact O-N 2.98Å; K703-K705 VanDerWaalsContact O-N 3.09Å
704R49.7Very low48.8Very low122 Ų122107.7 Ų107.746%0.4657%0.574SS.*  trans-49.5114.3167.9-88174.8160.7-176.2-3.9109.8T707R704-T707 WeakPolarHBondContact CD-OG1 3.19Å
705K46.2Very low49.9Very low206 Ų206108 Ų10890%0.89658%0.583SS**SBendtrans-90.3-19.3170.9-79.7-170.3178.5-1780113K703K703-K705 PolarHBondContact O-N 2.98Å; K703-K705 VanDerWaalsContact O-N 3.09Å
706Q39.3Very low51.2Low184 Ų184105.3 Ų105.386%0.8657%0.574SS**SBendtrans-143.270.8-169.8-72.6-175.7-12.900111.7
707T40.9Very low52.5Low76 Ų76108.1 Ų108.147%0.46658%0.576SS.*  trans-151.585.514940.40000105.7R704 S709R704-T707 WeakPolarHBondContact CD-OG1 3.19Å; T707-S709 VanDerWaalsContact C-N 3.31Å; T707-S709 PolarHBondContact O-N 3.35Å
708G38Very low54.1Low79 Ų79103.2 Ų103.281%0.81456%0.559SS**  trans-56.3113.7137.400000104.4G710G708-G710 PolarHBondContact O-N 3.09Å
709S43.2Very low55.3Low70 Ų70104 Ų10449%0.4957%0.569SS.*  trans-49.7111.9-174.2500000108.7T707 Y711T707-S709 VanDerWaalsContact C-N 3.31Å; T707-S709 PolarHBondContact O-N 3.35Å; S709-Y711 WeakPolarHBondContact O-CD2 3.12Å; S709-Y711 PolarHBondContact O-N 3.25Å; S709-Y711 WeakPolarHBondContact OG-CD2 3.17Å; S709-Y711 WeakPolarHBondContact OG-CE2 3.2Å
710G40.7Very low56.3Low63 Ų63103.2 Ų103.265%0.64957%0.572SS**  trans-66.385161.600000105.9G708 K712 G713G708-G710 PolarHBondContact O-N 3.09Å; G710-K712 PolarHBondContact O-N 3.4Å; G710-G713 PolarHBondContact O-N 3.02Å
711Y49.2Very low57Low177 Ų177103.5 Ų103.569%0.69458%0.583SS**THydrogen-bonded Turntrans-46.1-24.1-177.7-83.6-92.6000112.8S709 G713 V715S709-Y711 WeakPolarHBondContact O-CD2 3.12Å; S709-Y711 PolarHBondContact O-N 3.25Å; S709-Y711 WeakPolarHBondContact OG-CD2 3.17Å; S709-Y711 WeakPolarHBondContact OG-CE2 3.2Å; Y711-G713 PolarHBondContact O-N 3.1Å; Y711-V715 WeakPolarHBondContact O-CB 3.4Å; Y711-V715 WeakPolarHBondContact O-CG2 3.41Å; Y711-V715 PolarHBondContact O-N 3.24Å; Y711-V715 VanDerWaalsContact O-N 3.13Å
712K47.3Very low58.4Low195 Ų195106.2 Ų106.285%0.84859%0.594SS**Hα-helixtrans-55.3-39.8179.5-97.6-176.5171.1-177.90115.8G710 S716G710-K712 PolarHBondContact O-N 3.4Å; K712-S716 PolarHBondContact O-N 3.2Å
713G50.5Low59.9Low37 Ų37102.8 Ų102.838%0.38158%0.584SS.*Hα-helixtrans-73.7-56.1-173.600000112.8G710 Y711 V715 S716 D717G710-G713 PolarHBondContact O-N 3.02Å; Y711-G713 PolarHBondContact O-N 3.1Å; G713-V715 VanDerWaalsContact C-N 3.25Å; G713-V715 PolarHBondContact O-N 3.26Å; G713-S716 PolarHBondContact O-N 2.9Å; G713-S716 VanDerWaalsContact O-N 3.12Å; G713-S716 PolarHBondContact O-OG 3.25Å; G713-D717 PolarHBondContact O-N 2.8Å
714H54.2Low61.8Low130 Ų130103.2 Ų103.260%0.60259%0.588SS**Hα-helixtrans-63.6-30.2176-77.2-7.4000113.2S716 D717 L718H714-S716 VanDerWaalsContact C-N 3.31Å; H714-S716 PolarHBondContact O-N 2.84Å; H714-D717 PolarHBondContact O-N 3.01Å; H714-L718 HydrophobicContact CB-CD1 4.36Å; H714-L718 WeakPolarHBondContact O-CB 3.35Å; H714-L718 VanDerWaalsContact O-CG 3.28Å; H714-L718 WeakPolarHBondContact O-CG 3.22Å; H714-L718 PolarHBondContact O-N 2.96Å
715V68.1Low63.6Low90 Ų90102.8 Ų102.855%0.54559%0.594SS.*Hα-helixtrans-63.3-37.6174.9168.60000111.2Y711 G713 A719Y711-V715 WeakPolarHBondContact O-CB 3.4Å; Y711-V715 WeakPolarHBondContact O-CG2 3.41Å; Y711-V715 PolarHBondContact O-N 3.24Å; Y711-V715 VanDerWaalsContact O-N 3.13Å; G713-V715 VanDerWaalsContact C-N 3.25Å; G713-V715 PolarHBondContact O-N 3.26Å; V715-A719 WeakPolarHBondContact O-CA 3.41Å; V715-A719 WeakPolarHBondContact O-CB 3.3Å; V715-A719 PolarHBondContact O-N 3.09Å
716S70.9Confident65.7Low78 Ų7896 Ų9655%0.54557%0.573SS.*Hα-helixtrans-69.4-39.7176.4540000112.7K712 G713 H714K712-S716 PolarHBondContact O-N 3.2Å; G713-S716 PolarHBondContact O-N 2.9Å; G713-S716 VanDerWaalsContact O-N 3.12Å; G713-S716 PolarHBondContact O-OG 3.25Å; H714-S716 VanDerWaalsContact C-N 3.31Å; H714-S716 PolarHBondContact O-N 2.84Å
717D72Confident68.2Low116 Ų11693.2 Ų93.262%0.6256%0.56SS**Hα-helixtrans-71.2-40.9-178.7-58-24.6000111.3G713 H714G713-D717 PolarHBondContact O-N 2.8Å; H714-D717 PolarHBondContact O-N 3.01Å
718L80.7Confident70.5Confident97 Ų9794.8 Ų94.851%0.50857%0.565SS.*Hα-helixtrans-79.1-19.2178.3-66.6170.4000112.9H714 A720 A721 V722H714-L718 HydrophobicContact CB-CD1 4.36Å; H714-L718 WeakPolarHBondContact O-CB 3.35Å; H714-L718 VanDerWaalsContact O-CG 3.28Å; H714-L718 WeakPolarHBondContact O-CG 3.22Å; H714-L718 PolarHBondContact O-N 2.96Å; L718-A720 PolarHBondContact O-N 3.13Å; L718-A721 PolarHBondContact O-N 3.43Å; L718-A721 VanDerWaalsContact O-N 3.15Å; L718-V722 HydrophobicContact CB-CG2 4.17Å; L718-V722 WeakPolarHBondContact O-CB 3.39Å; L718-V722 VanDerWaalsContact O-CG2 3.24Å; L718-V722 WeakPolarHBondContact O-CG2 3.31Å; L718-V722 PolarHBondContact O-N 3.12Å
719A80.1Confident73.1Confident52 Ų5296.3 Ų96.343%0.4355%0.551SS.*Hα-helixtrans-55.1-39.2-175.900000112.8V715 S723V715-A719 WeakPolarHBondContact O-CA 3.41Å; V715-A719 WeakPolarHBondContact O-CB 3.3Å; V715-A719 PolarHBondContact O-N 3.09Å; A719-S723 WeakPolarHBondContact O-CB 3.32Å; A719-S723 PolarHBondContact O-N 3.42Å
720A81.7Confident75.3Confident74 Ų74100.3 Ų100.361%0.61256%0.559SS**Hα-helixtrans-66.5-51.3177.400000111.6L718 V722 S723 E724L718-A720 PolarHBondContact O-N 3.13Å; A720-V722 PolarHBondContact O-N 3.21Å; A720-S723 WeakPolarHBondContact O-CB 3.36Å; A720-S723 PolarHBondContact O-N 2.92Å; A720-E724 PolarHBondContact O-N 3.22Å
721A82.4Confident77.6Confident46 Ų46100.3 Ų100.338%0.3855%0.55SS..Hα-helixtrans-63.3-40.417900000112.4L718 E724 L725L718-A721 PolarHBondContact O-N 3.43Å; L718-A721 VanDerWaalsContact O-N 3.15Å; A721-E724 PolarHBondContact O-N 2.89Å; A721-L725 WeakPolarHBondContact O-CB 3.31Å; A721-L725 WeakPolarHBondContact O-CG 3.25Å; A721-L725 PolarHBondContact O-N 3.2Å
722V85.4Confident79.2Confident85 Ų8594.3 Ų94.352%0.51554%0.537SS..Hα-helixtrans-66.5-37.91761730000111L718 A720 S726L718-V722 HydrophobicContact CB-CG2 4.17Å; L718-V722 WeakPolarHBondContact O-CB 3.39Å; L718-V722 VanDerWaalsContact O-CG2 3.24Å; L718-V722 WeakPolarHBondContact O-CG2 3.31Å; L718-V722 PolarHBondContact O-N 3.12Å; A720-V722 PolarHBondContact O-N 3.21Å; V722-S726 VanDerWaalsContact O-CB 3.23Å; V722-S726 WeakPolarHBondContact O-CB 3.47Å; V722-S726 PolarHBondContact O-N 3.41Å
723S87.8Confident81.1Confident61 Ų6190.3 Ų90.343%0.42752%0.521SS..Hα-helixtrans-63.9-43.9173.9-175.90000111.5A719 A720 S726 Q727A719-S723 WeakPolarHBondContact O-CB 3.32Å; A719-S723 PolarHBondContact O-N 3.42Å; A720-S723 WeakPolarHBondContact O-CB 3.36Å; A720-S723 PolarHBondContact O-N 2.92Å; S723-S726 PolarHBondContact O-N 2.97Å; S723-Q727 WeakPolarHBondContact O-CG 3.2Å; S723-Q727 PolarHBondContact O-N 3.27Å
724E89.2Confident82.7Confident130 Ų13096 Ų9661%0.60753%0.532SS*.Hα-helixtrans-66-44.6177.4-167.8173-16800111.9A720 A721 S726 Q727 L728A720-E724 PolarHBondContact O-N 3.22Å; A721-E724 PolarHBondContact O-N 2.89Å; E724-S726 VanDerWaalsContact C-N 3.34Å; E724-S726 PolarHBondContact O-N 2.89Å; E724-Q727 WeakPolarHBondContact O-CB 3.33Å; E724-Q727 PolarHBondContact O-N 3.15Å; E724-L728 WeakPolarHBondContact O-CG 3.37Å; E724-L728 PolarHBondContact O-N 2.7Å
725L88.5Confident83.9Confident112 Ų11295.5 Ų95.559%0.58653%0.531SS*.Hα-helixtrans-60.3-42.5173.3-78.3167.3000111.8A721 Q727 L728 E729A721-L725 WeakPolarHBondContact O-CB 3.31Å; A721-L725 WeakPolarHBondContact O-CG 3.25Å; A721-L725 PolarHBondContact O-N 3.2Å; L725-Q727 VanDerWaalsContact C-N 3.32Å; L725-Q727 PolarHBondContact O-N 3.16Å; L725-L728 PolarHBondContact O-N 3.48Å; L725-E729 VanDerWaalsContact O-CB 3.32Å; L725-E729 WeakPolarHBondContact O-CB 3.21Å; L725-E729 PolarHBondContact O-N 2.83Å
726S90.3Very high84.3Confident65 Ų6598.4 Ų98.446%0.45553%0.534SS..Hα-helixtrans-64.7-36.6176.1-174.80000111.9V722 S723 E724 K730V722-S726 VanDerWaalsContact O-CB 3.23Å; V722-S726 WeakPolarHBondContact O-CB 3.47Å; V722-S726 PolarHBondContact O-N 3.41Å; S723-S726 PolarHBondContact O-N 2.97Å; E724-S726 VanDerWaalsContact C-N 3.34Å; E724-S726 PolarHBondContact O-N 2.89Å; S726-K730 WeakPolarHBondContact O-CB 3.29Å; S726-K730 PolarHBondContact O-N 3.07Å
727Q90.6Very high84.5Confident125 Ų125100 Ų10058%0.58453%0.532SS*.Hα-helixtrans-67.3-41.7173.4-73.7177.728.100112.2S723 E724 L725 S731S723-Q727 WeakPolarHBondContact O-CG 3.2Å; S723-Q727 PolarHBondContact O-N 3.27Å; E724-Q727 WeakPolarHBondContact O-CB 3.33Å; E724-Q727 PolarHBondContact O-N 3.15Å; L725-Q727 VanDerWaalsContact C-N 3.32Å; L725-Q727 PolarHBondContact O-N 3.16Å; Q727-S731 VanDerWaalsContact O-CB 3.28Å; Q727-S731 WeakPolarHBondContact O-CB 3.28Å; Q727-S731 PolarHBondContact O-N 3.19Å; Q727-S731 PolarHBondContact O-OG 3.02Å
728L90.2Very high84.5Confident108 Ų10898.6 Ų98.657%0.56552%0.522SS*.Hα-helixtrans-64.2-47.2175.4-78.2167.2000111.5E724 L725 S731 A732E724-L728 WeakPolarHBondContact O-CG 3.37Å; E724-L728 PolarHBondContact O-N 2.7Å; L725-L728 PolarHBondContact O-N 3.48Å; L728-S731 PolarHBondContact O-N 3.37Å; L728-A732 WeakPolarHBondContact O-CB 3.48Å; L728-A732 PolarHBondContact O-N 3.42Å
729E91.8Very high84.1Confident111 Ų111100.6 Ų100.652%0.51953%0.531SS..Hα-helixtrans-58.9-50176-173.8-165.8-179.800110.5L725 S731 A732 Q733L725-E729 VanDerWaalsContact O-CB 3.32Å; L725-E729 WeakPolarHBondContact O-CB 3.21Å; L725-E729 PolarHBondContact O-N 2.83Å; E729-S731 VanDerWaalsContact C-N 3.29Å; E729-S731 PolarHBondContact O-N 3.03Å; E729-A732 PolarHBondContact O-N 3.09Å; E729-Q733 HydrophobicContact CG-CG 4.47Å; E729-Q733 WeakPolarHBondContact O-CB 3.48Å; E729-Q733 WeakPolarHBondContact O-CG 3.25Å; E729-Q733 PolarHBondContact O-N 3.21Å; E729-Q733 PolarHBondContact OE1-NE2 3.23Å
730K90.1Very high83.4Confident154 Ų154107.2 Ų107.267%0.6755%0.545SS*.Hα-helixtrans-60.5-39.2177.5-173.1177.3-178.4179.30111.8S726 Y734S726-K730 WeakPolarHBondContact O-CB 3.29Å; S726-K730 PolarHBondContact O-N 3.07Å; K730-Y734 WeakPolarHBondContact O-CB 3.36Å; K730-Y734 PolarHBondContact O-N 3.04Å
731S87.9Confident82.4Confident64 Ų64107.9 Ų107.945%0.44854%0.542SS..Hα-helixtrans-66.9-42.5176.2-60.70000111.6Q727 L728 E729 Y734 M735Q727-S731 VanDerWaalsContact O-CB 3.28Å; Q727-S731 WeakPolarHBondContact O-CB 3.28Å; Q727-S731 PolarHBondContact O-N 3.19Å; Q727-S731 PolarHBondContact O-OG 3.02Å; L728-S731 PolarHBondContact O-N 3.37Å; E729-S731 VanDerWaalsContact C-N 3.29Å; E729-S731 PolarHBondContact O-N 3.03Å; S731-Y734 PolarHBondContact O-N 3.42Å; S731-M735 WeakPolarHBondContact O-CB 3.47Å; S731-M735 VanDerWaalsContact O-CG 3.3Å; S731-M735 WeakPolarHBondContact O-CG 3.46Å; S731-M735 PolarHBondContact O-N 2.92Å
732A83.8Confident80.7Confident51 Ų51108.3 Ų108.342%0.42154%0.542SS..Hα-helixtrans-64-45.2175.800000111.7L728 E729 M735 Y736L728-A732 WeakPolarHBondContact O-CB 3.48Å; L728-A732 PolarHBondContact O-N 3.42Å; E729-A732 PolarHBondContact O-N 3.09Å; A732-M735 PolarHBondContact O-N 3.41Å; A732-Y736 WeakPolarHBondContact O-CB 3.28Å; A732-Y736 PolarHBondContact O-N 2.92Å
733Q87Confident78.9Confident111 Ų111109.5 Ų109.552%0.51955%0.552SS.*Hα-helixtrans-61.9-43173.7-71.4179.69.700111.3E729 Y736 H737E729-Q733 HydrophobicContact CG-CG 4.47Å; E729-Q733 WeakPolarHBondContact O-CB 3.48Å; E729-Q733 WeakPolarHBondContact O-CG 3.25Å; E729-Q733 PolarHBondContact O-N 3.21Å; E729-Q733 PolarHBondContact OE1-NE2 3.23Å; Q733-Y736 PolarHBondContact O-N 3.26Å; Q733-H737 WeakPolarHBondContact O-CB 3.44Å; Q733-H737 PolarHBondContact O-N 3.36Å
734Y83.4Confident76.8Confident156 Ų156113.3 Ų113.361%0.61257%0.566SS**Hα-helixtrans-63.8-45.2177-169.7-96.6000111.5K730 S731 H737 H738K730-Y734 WeakPolarHBondContact O-CB 3.36Å; K730-Y734 PolarHBondContact O-N 3.04Å; S731-Y734 PolarHBondContact O-N 3.42Å; Y734-H737 PolarHBondContact O-N 3.35Å; Y734-H738 AromaticContact CE1-CD2 3.33Å; Y734-H738 WeakPolarHBondContact CE1-CD2 3.44Å; Y734-H738 AromaticContact CE1-NE2 3.92Å; Y734-H738 AromaticContact CZ-CD2 3.6Å; Y734-H738 AromaticContact CZ-NE2 3.95Å; Y734-H738 WeakPolarHBondContact O-CB 3.21Å; Y734-H738 PolarHBondContact O-N 3.49Å
735M80.3Confident74.4Confident120 Ų120117.2 Ų117.259%0.59158%0.581SS**Hα-helixtrans-60.2-47.2174.4-75.1-167.3-63.600111.6S731 A732 H737 H738 I739S731-M735 WeakPolarHBondContact O-CB 3.47Å; S731-M735 VanDerWaalsContact O-CG 3.3Å; S731-M735 WeakPolarHBondContact O-CG 3.46Å; S731-M735 PolarHBondContact O-N 2.92Å; A732-M735 PolarHBondContact O-N 3.41Å; M735-H737 VanDerWaalsContact C-N 3.32Å; M735-H737 PolarHBondContact O-N 2.98Å; M735-H738 PolarHBondContact O-N 3.4Å; M735-I739 VanDerWaalsContact O-CG1 3.27Å; M735-I739 WeakPolarHBondContact O-CG1 3.45Å; M735-I739 PolarHBondContact O-N 3.49Å
736Y76.7Confident72Confident151 Ų151122.2 Ų122.259%0.59261%0.607SS**Hα-helixtrans-59.3-43.5176.3-178.8-100.5000111.6A732 Q733 I739 R740A732-Y736 WeakPolarHBondContact O-CB 3.28Å; A732-Y736 PolarHBondContact O-N 2.92Å; Q733-Y736 PolarHBondContact O-N 3.26Å; Y736-I739 PolarHBondContact O-N 3.18Å; Y736-R740 WeakPolarHBondContact O-CB 3.49Å; Y736-R740 PolarHBondContact O-N 3Å; Y736-R740 VanDerWaalsContact O-N 3.08Å
737H74.3Confident71.1Confident111 Ų111125.1 Ų125.151%0.51462%0.615SS.*Hα-helixtrans-65.8-41.8176.4-145.1-56000111.3Q733 Y734 M735 I739 R740 T741Q733-H737 WeakPolarHBondContact O-CB 3.44Å; Q733-H737 PolarHBondContact O-N 3.36Å; Y734-H737 PolarHBondContact O-N 3.35Å; M735-H737 VanDerWaalsContact C-N 3.32Å; M735-H737 PolarHBondContact O-N 2.98Å; H737-I739 PolarHBondContact O-N 2.95Å; H737-R740 CarbonylContact O-C 3.34Å; H737-R740 PolarHBondContact O-N 3.31Å; H737-T741 VanDerWaalsContact CE1-CG2 3.4Å; H737-T741 WeakPolarHBondContact CE1-CG2 3.3Å; H737-T741 VanDerWaalsContact ND1-CG2 3.28Å; H737-T741 WeakPolarHBondContact ND1-CG2 3.21Å; H737-T741 PolarHBondContact ND1-OG1 2.93Å; H737-T741 PolarHBondContact O-N 2.79Å; H737-T741 PolarHBondContact O-OG1 3.43Å
738H72.6Confident70.1Confident87 Ų87125.1 Ų125.140%0.40362%0.617SS.*Hα-helixtrans-62.7-41.3177-125.7-78.5000112.2Y734 M735 R740 S742Y734-H738 AromaticContact CE1-CD2 3.33Å; Y734-H738 WeakPolarHBondContact CE1-CD2 3.44Å; Y734-H738 AromaticContact CE1-NE2 3.92Å; Y734-H738 AromaticContact CZ-CD2 3.6Å; Y734-H738 AromaticContact CZ-NE2 3.95Å; Y734-H738 WeakPolarHBondContact O-CB 3.21Å; Y734-H738 PolarHBondContact O-N 3.49Å; M735-H738 PolarHBondContact O-N 3.4Å; H738-R740 PolarHBondContact O-N 2.83Å; H738-S742 WeakPolarHBondContact ND1-CB 3.42Å; H738-S742 WeakPolarHBondContact O-CA 3.25Å; H738-S742 WeakPolarHBondContact O-CB 3.49Å; H738-S742 PolarHBondContact O-N 3.02Å
739I71.2Confident69Low138 Ų138126 Ų12671%0.70862%0.619SS**Hα-helixtrans-60.3-37.6173.1-69.5164.6000110.3M735 Y736 H737M735-I739 VanDerWaalsContact O-CG1 3.27Å; M735-I739 WeakPolarHBondContact O-CG1 3.45Å; M735-I739 PolarHBondContact O-N 3.49Å; Y736-I739 PolarHBondContact O-N 3.18Å; H737-I739 PolarHBondContact O-N 2.95Å
740R65.7Low67.6Low192 Ų192126.9 Ų126.973%0.72563%0.625SS**Hα-helixtrans-82.7-32.2-176.6-160.5178.3173-171.7-1114.2Y736 H737 H738Y736-R740 WeakPolarHBondContact O-CB 3.49Å; Y736-R740 PolarHBondContact O-N 3Å; Y736-R740 VanDerWaalsContact O-N 3.08Å; H737-R740 CarbonylContact O-C 3.34Å; H737-R740 PolarHBondContact O-N 3.31Å; H738-R740 PolarHBondContact O-N 2.83Å
741T61.4Low66.2Low88 Ų88125.2 Ų125.254%0.5462%0.623SS.*Hα-helixtrans-111.3-16.3-173.356.50000115H737 P743H737-T741 VanDerWaalsContact CE1-CG2 3.4Å; H737-T741 WeakPolarHBondContact CE1-CG2 3.3Å; H737-T741 VanDerWaalsContact ND1-CG2 3.28Å; H737-T741 WeakPolarHBondContact ND1-CG2 3.21Å; H737-T741 PolarHBondContact ND1-OG1 2.93Å; H737-T741 PolarHBondContact O-N 2.79Å; H737-T741 PolarHBondContact O-OG1 3.43Å; T741-P743 VanDerWaalsContact O-CD 3.31Å; T741-P743 WeakPolarHBondContact O-CD 3.13Å
742S47.2Very low64.8Low54 Ų54129.3 Ų129.338%0.37863%0.634SS.*SBendtrans-95.5108.1173.4-138.30000107.7H738 L744H738-S742 WeakPolarHBondContact ND1-CB 3.42Å; H738-S742 WeakPolarHBondContact O-CA 3.25Å; H738-S742 WeakPolarHBondContact O-CB 3.49Å; H738-S742 PolarHBondContact O-N 3.02Å; S742-L744 PolarHBondContact O-N 3.07Å
743P46.8Very low63.4Low111 Ų111134.9 Ų134.972%0.72165%0.649SS**  trans-60.9110.9164.725.9-28.4000105.2T741 K745T741-P743 VanDerWaalsContact O-CD 3.31Å; T741-P743 WeakPolarHBondContact O-CD 3.13Å; P743-K745 PolarHBondContact O-N 2.8Å
744L43.1Very low61.6Low141 Ų141136.7 Ų136.774%0.73866%0.66SS**  trans-47.2107.3168.3-85.3153.8000106.7S742 L746S742-L744 PolarHBondContact O-N 3.07Å; L744-L746 HydrophobicContact CD2-CD1 4.18Å; L744-L746 PolarHBondContact O-N 3.08Å
745K40.2Very low59.8Low211 Ų211135.1 Ų135.192%0.91766%0.664SS**  trans-72.678158.6-77.7-173.6176.4-178.50106.2P743P743-K745 PolarHBondContact O-N 2.8Å
746L37.7Very low57.9Low217 Ų217136.5 Ų136.5100%1.13667%0.67SS**  trans-119.20154.3-86.1164000106.1L744L744-L746 HydrophobicContact CD2-CD1 4.18Å; L744-L746 PolarHBondContact O-N 3.08Å

Retrieved 746 of 746 residues in 1844.6 ms (Link to these results)

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