A0A3Q0KTG0_SCHMA Loading...

TBC1 domain family member 23

AlphaFold DB , UniProt , Accession A0A3Q0KTG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 841 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
1M67.6Low87.6Confident97 Ų9793.2 Ų93.248%0.47847%0.471SS..  0164.70-72.81596500109.2L216 L219 K220 V294M1-L216 HydrophobicContact CE-CD2 4.26Å; M1-L216 HydrophobicContact SD-CD2 4.21Å; M1-L219 HydrophobicContact CE-CB 3.52Å; M1-L219 HydrophobicContact CE-CD1 3.88Å; M1-L219 HydrophobicContact CE-CG 4.37Å; M1-K220 HydrophobicContact CE-CG 4.28Å; M1-K220 HydrophobicContact SD-CD 4.4Å; M1-K220 HydrophobicContact SD-CG 3.9Å; M1-V294 HydrophobicContact SD-CG1 4.44Å
2R81.2Confident88Confident229 Ų22988.7 Ų88.786%0.86445%0.452SS*.PPolyproline II helixtrans-84.2142169.7-67.9-175.1-175.9173.42.4109.7
3P85.5Confident88.5Confident115 Ų11581.8 Ų81.875%0.74742%0.417SS*.PPolyproline II helixtrans-68.3153175.729.5-35.2000111.5
4V90.8Very high88.8Confident17 Ų1780.6 Ų80.610%0.10341%0.405CS..PPolyproline II helixtrans-82.6128.5176.9-176.80000109.5E6 R9 V12 D215 L219V4-E6 PolarHBondContact O-N 3.35Å; V4-R9 HydrophobicContact CG1-CB 4.14Å; V4-V12 HydrophobicContact CG1-CB 4.22Å; V4-V12 HydrophobicContact CG1-CG1 4.39Å; V4-V12 HydrophobicContact CG1-CG2 3.99Å; V4-V12 HydrophobicContact CG2-CG1 4.42Å; V4-D215 HydrophobicContact CB-CB 4.47Å; V4-D215 HydrophobicContact CG2-CB 3.88Å; V4-L219 HydrophobicContact CG2-CD1 3.78Å
5P90.9Very high88.9Confident69 Ų6983.9 Ų83.945%0.44842%0.422SS..PPolyproline II helixtrans-60.9134.2172.7-24.535.7000111.5N7 L8 R9P5-N7 WeakPolarHBondContact CB-OD1 3.43Å; P5-N7 PolarHBondContact O-N 3.37Å; P5-N7 VanDerWaalsContact O-N 3.13Å; P5-L8 HydrophobicContact CB-CB 4.48Å; P5-L8 HydrophobicContact CB-CD1 4.35Å; P5-L8 HydrophobicContact CB-CG 4.39Å; P5-L8 HydrophobicContact CG-CD1 4.2Å; P5-L8 PolarHBondContact O-N 3.09Å; P5-R9 PolarHBondContact O-N 3.2Å
6E88Confident89.1Confident159 Ų15980.1 Ų80.174%0.74341%0.406SS*.THydrogen-bonded Turntrans-56.5-35.6-172.4-54.7-173.8142.200113.4V4 L8 R9V4-E6 PolarHBondContact O-N 3.35Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 2.94Å; E6-R9 PolarHBondContact O-N 3.01Å
7N89.7Confident89Confident124 Ų12475.4 Ų75.466%0.66338%0.382SS*.THydrogen-bonded Turntrans-72.5-18.8178.469.1-61.5000113.9P5P5-N7 WeakPolarHBondContact CB-OD1 3.43Å; P5-N7 PolarHBondContact O-N 3.37Å; P5-N7 VanDerWaalsContact O-N 3.13Å
8L92.3Very high88.7Confident85 Ų8581.6 Ų81.645%0.44540%0.4SS..THydrogen-bonded Turntrans-102.3-15.8176.5-61.4-179.5000112.4P5 E6 D11 V12P5-L8 HydrophobicContact CB-CB 4.48Å; P5-L8 HydrophobicContact CB-CD1 4.35Å; P5-L8 HydrophobicContact CB-CG 4.39Å; P5-L8 HydrophobicContact CG-CD1 4.2Å; P5-L8 PolarHBondContact O-N 3.09Å; E6-L8 VanDerWaalsContact C-N 3.29Å; E6-L8 PolarHBondContact O-N 2.94Å; L8-D11 PolarHBondContact O-N 3.18Å; L8-D11 VanDerWaalsContact O-N 3.16Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.38Å
9R93.9Very high87.8Confident21 Ų2178.6 Ų78.68%0.07939%0.386CS..Hα-helixtrans-50-45.4179.5-174.5177.1-71.9123.9-1.6113.8V4 P5 E6 D11 V12 W13 V132 S212 D215V4-R9 HydrophobicContact CG1-CB 4.14Å; P5-R9 PolarHBondContact O-N 3.2Å; E6-R9 PolarHBondContact O-N 3.01Å; R9-D11 VanDerWaalsContact C-N 3.31Å; R9-D11 PolarHBondContact O-N 3Å; R9-V12 PolarHBondContact O-N 2.98Å; R9-W13 HydrophobicContact CG-CD2 4.29Å; R9-W13 HydrophobicContact CG-CG 4.27Å; R9-W13 HydrophobicContact CG-CZ2 4.35Å; R9-W13 VanDerWaalsContact CG-NE1 3.31Å; R9-W13 WeakPolarHBondContact O-CB 3.36Å; R9-W13 VanDerWaalsContact O-CG 3.31Å; R9-W13 PolarHBondContact O-N 3.25Å; R9-V132 HydrophobicContact CB-CG1 4.49Å; R9-V132 HydrophobicContact CG-CG1 3.64Å; R9-S212 PolarHBondContact NH2-OG 3.17Å; R9-D215 WeakPolarHBondContact CG-OD1 3.32Å; R9-D215 IonicContact CZ-OD2 2.89Å; R9-D215 VanDerWaalsContact CZ-OD2 3.26Å; R9-D215 IonicContact NE-OD1 2.85Å; R9-D215 PolarHBondContact NE-OD1 3.26Å; R9-D215 IonicContact NE-OD2 3.5Å; R9-D215 PolarHBondContact NE-OD2 3.35Å; R9-D215 IonicContact NH2-OD2 3.16Å; R9-D215 PolarHBondContact NH2-OD2 2.98Å
10P92.4Very high86.5Confident29 Ų2981.1 Ų81.119%0.18840%0.401CS..Hα-helixtrans-58.4-43.7-179.5-21.532.2000112W13 R14 V132 L133P10-W13 PolarHBondContact O-N 3.47Å; P10-R14 WeakPolarHBondContact O-CG 3.18Å; P10-R14 PolarHBondContact O-N 3.07Å; P10-V132 WeakPolarHBondContact CG-O 3.39Å; P10-L133 WeakPolarHBondContact O-CD2 3.46Å
11D91.4Very high85Confident80 Ų8083 Ų8343%0.42842%0.417SS..Hα-helixtrans-80.3-34.4-175-58.6-33.2000112.2L8 R9 W13 R14 I15L8-D11 PolarHBondContact O-N 3.18Å; L8-D11 VanDerWaalsContact O-N 3.16Å; R9-D11 VanDerWaalsContact C-N 3.31Å; R9-D11 PolarHBondContact O-N 3Å; D11-W13 VanDerWaalsContact C-N 3.28Å; D11-W13 PolarHBondContact O-N 3.27Å; D11-R14 PolarHBondContact O-N 3.09Å; D11-R14 IonicContact OD1-CZ 2.89Å; D11-R14 IonicContact OD1-NH1 2.64Å; D11-R14 PolarHBondContact OD1-NH1 3.2Å; D11-I15 WeakPolarHBondContact O-CB 3.48Å; D11-I15 WeakPolarHBondContact O-CD1 3.28Å; D11-I15 VanDerWaalsContact O-CG1 3.23Å; D11-I15 WeakPolarHBondContact O-CG1 3.23Å; D11-I15 PolarHBondContact O-N 2.83Å
12V92.9Very high84Confident39 Ų3986.9 Ų86.924%0.23643%0.434CS..Hα-helixtrans-58-42.9166.8171.80000110.3V4 L8 R9 I15 C16 L219V4-V12 HydrophobicContact CG1-CB 4.22Å; V4-V12 HydrophobicContact CG1-CG1 4.39Å; V4-V12 HydrophobicContact CG1-CG2 3.99Å; V4-V12 HydrophobicContact CG2-CG1 4.42Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.38Å; R9-V12 PolarHBondContact O-N 2.98Å; V12-I15 PolarHBondContact O-N 3.15Å; V12-C16 VanDerWaalsContact O-CB 3.26Å; V12-C16 WeakPolarHBondContact O-CB 3.46Å; V12-C16 PolarHBondContact O-N 3.43Å; V12-C16 PolarHBondContact O-SG 3.27Å; V12-L219 HydrophobicContact CG1-CD2 4.19Å
13W94.5Very high82.6Confident0 Ų079.5 Ų79.50%042%0.417CS..Hα-helixtrans-66.2-44.1176.7-74.726.8000111.9R9 P10 D11 I15 C16 L17 V128 L129 V132 L133 P211 W214 D215 F218R9-W13 HydrophobicContact CG-CD2 4.29Å; R9-W13 HydrophobicContact CG-CG 4.27Å; R9-W13 HydrophobicContact CG-CZ2 4.35Å; R9-W13 VanDerWaalsContact CG-NE1 3.31Å; R9-W13 WeakPolarHBondContact O-CB 3.36Å; R9-W13 VanDerWaalsContact O-CG 3.31Å; R9-W13 PolarHBondContact O-N 3.25Å; P10-W13 PolarHBondContact O-N 3.47Å; D11-W13 VanDerWaalsContact C-N 3.28Å; D11-W13 PolarHBondContact O-N 3.27Å; W13-I15 VanDerWaalsContact C-N 3.34Å; W13-I15 PolarHBondContact O-N 3.38Å; W13-C16 PolarHBondContact O-N 2.79Å; W13-L17 VanDerWaalsContact O-CB 3.27Å; W13-L17 WeakPolarHBondContact O-CB 3.3Å; W13-L17 WeakPolarHBondContact O-CG 3.39Å; W13-L17 PolarHBondContact O-N 3.24Å; W13-V128 HydrophobicContact CH2-CG1 3.88Å; W13-V128 HydrophobicContact CZ3-CG1 4.2Å; W13-L129 HydrophobicContact CE3-CD2 4.34Å; W13-L129 HydrophobicContact CZ3-CD2 4.26Å; W13-V132 HydrophobicContact CD2-CB 4.44Å; W13-V132 HydrophobicContact CD2-CG1 3.65Å; W13-V132 HydrophobicContact CE3-CB 3.78Å; W13-V132 HydrophobicContact CE3-CG1 3.48Å; W13-V132 VanDerWaalsContact CE3-CG1 3.48Å; W13-V132 HydrophobicContact CE3-CG2 4.49Å; W13-V132 HydrophobicContact CG-CG1 4.4Å; W13-V132 HydrophobicContact CH2-CB 3.9Å; W13-V132 HydrophobicContact CH2-CG1 3.91Å; W13-V132 HydrophobicContact CH2-CG2 3.68Å; W13-V132 HydrophobicContact CZ2-CG1 4.03Å; W13-V132 HydrophobicContact CZ2-CG2 4.32Å; W13-V132 HydrophobicContact CZ3-CB 3.49Å; W13-V132 VanDerWaalsContact CZ3-CB 3.49Å; W13-V132 HydrophobicContact CZ3-CG1 3.63Å; W13-V132 HydrophobicContact CZ3-CG2 3.77Å; W13-L133 HydrophobicContact CB-CD2 3.63Å; W13-L133 HydrophobicContact CE3-CD2 4.33Å; W13-L133 HydrophobicContact CE3-CG 4.36Å; W13-P211 HydrophobicContact CH2-CB 4.47Å; W13-P211 HydrophobicContact CZ2-CB 4.26Å; W13-W214 HydrophobicContact CH2-CB 3.86Å; W13-W214 HydrophobicContact CH2-CD2 4.25Å; W13-W214 AromaticContact CH2-CE3 3.57Å; W13-W214 HydrophobicContact CH2-CE3 3.57Å; W13-W214 HydrophobicContact CH2-CG 4.43Å; W13-W214 HydrophobicContact CH2-CZ3 4.42Å; W13-W214 HydrophobicContact CZ2-CB 3.6Å; W13-W214 HydrophobicContact CZ2-CE3 4.4Å; W13-W214 AromaticContact CZ3-CE3 3.81Å; W13-W214 HydrophobicContact CZ3-CE3 3.81Å; W13-W214 HydrophobicContact CZ3-CZ3 4.31Å; W13-D215 PolarHBondContact NE1-OD1 2.92Å; W13-F218 HydrophobicContact CB-CD2 4.2Å; W13-F218 HydrophobicContact CB-CE2 4.29Å; W13-F218 AromaticContact CD1-CD2 3.74Å; W13-F218 AromaticContact CD2-CD2 3.73Å; W13-F218 HydrophobicContact CD2-CD2 3.73Å; W13-F218 AromaticContact CD2-CE2 3.44Å; W13-F218 HydrophobicContact CD2-CE2 3.44Å; W13-F218 VanDerWaalsContact CD2-CE2 3.44Å; W13-F218 AromaticContact CE2-CD2 3.87Å; W13-F218 AromaticContact CE2-CE2 3.78Å; W13-F218 HydrophobicContact CE3-CD2 4.38Å; W13-F218 AromaticContact CE3-CE2 3.62Å; W13-F218 HydrophobicContact CE3-CE2 3.62Å; W13-F218 AromaticContact CG-CD2 3.64Å; W13-F218 HydrophobicContact CG-CD2 3.64Å; W13-F218 AromaticContact CG-CE2 3.77Å; W13-F218 HydrophobicContact CG-CE2 3.77Å; W13-F218 HydrophobicContact CH2-CE2 4.38Å; W13-F218 HydrophobicContact CZ2-CE2 4.25Å; W13-F218 HydrophobicContact CZ3-CE2 4.08Å; W13-F218 AromaticContact NE1-CD2 3.86Å
14R91.5Very high80.9Confident64 Ų6481.4 Ų81.424%0.24242%0.416CS..Hα-helixtrans-56.7-44.7173.9-71.1178.8175.898.712.9112.5P10 D11 R18 L19 L133 E140P10-R14 WeakPolarHBondContact O-CG 3.18Å; P10-R14 PolarHBondContact O-N 3.07Å; D11-R14 PolarHBondContact O-N 3.09Å; D11-R14 IonicContact OD1-CZ 2.89Å; D11-R14 IonicContact OD1-NH1 2.64Å; D11-R14 PolarHBondContact OD1-NH1 3.2Å; R14-R18 PolarHBondContact O-N 3.43Å; R14-L19 HydrophobicContact CB-CD1 4.33Å; R14-L19 HydrophobicContact CG-CD1 3.95Å; R14-L19 PolarHBondContact O-N 2.92Å; R14-L133 HydrophobicContact CG-CD2 4.17Å; R14-L133 PolarHBondContact NH2-O 3.06Å; R14-E140 IonicContact CZ-OE1 2.79Å; R14-E140 VanDerWaalsContact CZ-OE1 3.29Å; R14-E140 IonicContact NE-OE1 3.85Å; R14-E140 PolarHBondContact NE-OE1 3.18Å; R14-E140 IonicContact NH2-OE1 3.82Å; R14-E140 PolarHBondContact NH2-OE1 3.39Å
15I91.2Very high79.2Confident131 Ų13182.9 Ų82.967%0.67243%0.431SS*.Hα-helixtrans-67-49.5178-68.4163.9000110.5D11 V12 W13 L17 R18D11-I15 WeakPolarHBondContact O-CB 3.48Å; D11-I15 WeakPolarHBondContact O-CD1 3.28Å; D11-I15 VanDerWaalsContact O-CG1 3.23Å; D11-I15 WeakPolarHBondContact O-CG1 3.23Å; D11-I15 PolarHBondContact O-N 2.83Å; V12-I15 PolarHBondContact O-N 3.15Å; W13-I15 VanDerWaalsContact C-N 3.34Å; W13-I15 PolarHBondContact O-N 3.38Å; I15-L17 PolarHBondContact O-N 2.96Å; I15-R18 PolarHBondContact O-N 3.07Å; I15-R18 VanDerWaalsContact O-N 3.12Å
16C91.3Very high77.6Confident23 Ų2379.9 Ų79.916%0.15541%0.41CS..Hα-helixtrans-60.1-45.3179.4-82.30000111.7V12 W13 R18 R151 F218V12-C16 VanDerWaalsContact O-CB 3.26Å; V12-C16 WeakPolarHBondContact O-CB 3.46Å; V12-C16 PolarHBondContact O-N 3.43Å; V12-C16 PolarHBondContact O-SG 3.27Å; W13-C16 PolarHBondContact O-N 2.79Å; C16-R18 VanDerWaalsContact C-N 3.27Å; C16-R18 PolarHBondContact O-N 2.65Å; C16-R151 PolarHBondContact O-NH1 3.16Å; C16-R151 PolarHBondContact O-NH2 3.24Å; C16-F218 HydrophobicContact CB-CB 3.83Å; C16-F218 PolarHBondContact SG-O 2.57Å
17L88.2Confident75.9Confident0 Ų076 Ų760%041%0.406CS..Hα-helixtrans-76.1-5.9177.4-65.5176.2000113.7W13 I15 L19 L129 S147 F152 F218W13-L17 VanDerWaalsContact O-CB 3.27Å; W13-L17 WeakPolarHBondContact O-CB 3.3Å; W13-L17 WeakPolarHBondContact O-CG 3.39Å; W13-L17 PolarHBondContact O-N 3.24Å; I15-L17 PolarHBondContact O-N 2.96Å; L17-L19 HydrophobicContact CB-CD2 3.67Å; L17-L19 HydrophobicContact CB-CG 4.24Å; L17-L19 PolarHBondContact O-N 3.48Å; L17-L129 HydrophobicContact CD1-CD2 4.21Å; L17-S147 WeakPolarHBondContact O-CB 3.21Å; L17-S147 PolarHBondContact O-OG 2.77Å; L17-F152 HydrophobicContact CD2-CE2 4.45Å; L17-F218 HydrophobicContact CD1-CE2 4.14Å; L17-F218 HydrophobicContact CD1-CZ 4.4Å; L17-F218 HydrophobicContact CD2-CE1 4.24Å; L17-F218 HydrophobicContact CD2-CE2 4.31Å; L17-F218 HydrophobicContact CD2-CZ 4.12Å; L17-F218 HydrophobicContact CG-CE2 4.23Å; L17-F218 HydrophobicContact CG-CZ 4.5Å
18R82.7Confident74.2Confident187 Ų18775.7 Ų75.771%0.70641%0.408SS*.THydrogen-bonded Turntrans50.358.5178.8-55.7-179.8-177.41701.1112.5R14 I15 C16 D20R14-R18 PolarHBondContact O-N 3.43Å; I15-R18 PolarHBondContact O-N 3.07Å; I15-R18 VanDerWaalsContact O-N 3.12Å; C16-R18 VanDerWaalsContact C-N 3.27Å; C16-R18 PolarHBondContact O-N 2.65Å; R18-D20 VanDerWaalsContact C-N 3.34Å; R18-D20 PolarHBondContact O-N 3.44Å
19L72.3Confident72.5Confident25 Ų2572.8 Ų72.813%0.13139%0.392CS..  trans-72.986.7-177.4-55.2-170.1000111.6R14 L17 T21 E140 S144R14-L19 HydrophobicContact CB-CD1 4.33Å; R14-L19 HydrophobicContact CG-CD1 3.95Å; R14-L19 PolarHBondContact O-N 2.92Å; L17-L19 HydrophobicContact CB-CD2 3.67Å; L17-L19 HydrophobicContact CB-CG 4.24Å; L17-L19 PolarHBondContact O-N 3.48Å; L19-T21 VanDerWaalsContact C-N 3.29Å; L19-T21 PolarHBondContact O-N 3.04Å; L19-E140 HydrophobicContact CD1-CG 4.4Å; L19-S144 VanDerWaalsContact CD1-OG 3.27Å; L19-S144 WeakPolarHBondContact CD1-OG 3.12Å
20D61.4Low70.9Confident128 Ų12876.5 Ų76.568%0.68442%0.421SS*.  trans-69.484.6171.3-71.1-28.5000110R18 Q22 S23R18-D20 VanDerWaalsContact C-N 3.34Å; R18-D20 PolarHBondContact O-N 3.44Å; D20-Q22 PolarHBondContact O-N 3.3Å; D20-S23 PolarHBondContact O-N 3.45Å
21T54.5Low69.2Low121 Ų12179.6 Ų79.674%0.74244%0.437SS*.THydrogen-bonded Turntrans-61.3-6.3-178.9530000114.5L19 S23L19-T21 VanDerWaalsContact C-N 3.29Å; L19-T21 PolarHBondContact O-N 3.04Å; T21-S23 PolarHBondContact O-N 3.42Å
22Q48Very low67.9Low179 Ų17982.4 Ų82.484%0.83646%0.456SS*.THydrogen-bonded Turntrans-74.3-7170.8-61-172.74.500113.5D20 Q24D20-Q22 PolarHBondContact O-N 3.3Å; Q22-Q24 PolarHBondContact O-N 3.46Å
23S51.2Low66.5Low74 Ų7483.2 Ų83.252%0.51746%0.457SS..  trans-68.790.2175.1-170.30000111.8D20 T21 A25D20-S23 PolarHBondContact O-N 3.45Å; T21-S23 PolarHBondContact O-N 3.42Å; S23-A25 PolarHBondContact O-N 2.93Å
24Q50.4Low65.5Low154 Ų15491.2 Ų91.272%0.7249%0.494SS*.G310 helixtrans-64.8-5.1-177.8-70.2-176.8-14.700115.1Q22 M26 A27 T28Q22-Q24 PolarHBondContact O-N 3.46Å; Q24-M26 VanDerWaalsContact C-N 3.25Å; Q24-M26 PolarHBondContact O-N 2.91Å; Q24-M26 VanDerWaalsContact O-N 3.07Å; Q24-A27 WeakPolarHBondContact O-CB 3.45Å; Q24-A27 PolarHBondContact O-N 2.66Å; Q24-T28 PolarHBondContact O-OG1 2.91Å
25A55.4Low65Low49 Ų4989.7 Ų89.741%0.40549%0.491SS..G310 helixtrans-51.4-38-171.300000114.5S23S23-A25 PolarHBondContact O-N 2.93Å
26M56.5Low64.6Low5 Ų590.4 Ų90.43%0.02549%0.491CS..G310 helixtrans-87.6-17.9176.7-101.4-74.9169.700114.5Q24 F29 H107 R138 S139 Y142Q24-M26 VanDerWaalsContact C-N 3.25Å; Q24-M26 PolarHBondContact O-N 2.91Å; Q24-M26 VanDerWaalsContact O-N 3.07Å; M26-F29 HydrophobicContact CE-CD1 4.14Å; M26-F29 PolarHBondContact O-N 3.17Å; M26-F29 HydrophobicContact SD-CB 4.21Å; M26-F29 HydrophobicContact SD-CD1 4.23Å; M26-H107 HydrophobicContact CE-CB 3.49Å; M26-H107 VanDerWaalsContact CE-CB 3.49Å; M26-R138 HydrophobicContact SD-CG 4.28Å; M26-R138 PolarHBondContact SD-NE 2.9Å; M26-R138 VanDerWaalsContact SD-NE 3.43Å; M26-S139 WeakPolarHBondContact CB-OG 2.94Å; M26-Y142 HydrophobicContact CB-CD1 4.42Å; M26-Y142 HydrophobicContact CE-CD2 3.94Å; M26-Y142 HydrophobicContact CE-CE2 4.5Å; M26-Y142 HydrophobicContact CE-CG 4.16Å; M26-Y142 HydrophobicContact CG-CD1 3.66Å; M26-Y142 HydrophobicContact CG-CD2 4.29Å; M26-Y142 HydrophobicContact CG-CE1 4.39Å; M26-Y142 HydrophobicContact CG-CG 3.61Å
27A52.9Low64.3Low79 Ų7992.5 Ų92.565%0.65350%0.501SS*.THydrogen-bonded Turntrans-74.1-27.5-177.100000112.6Q24Q24-A27 WeakPolarHBondContact O-CB 3.45Å; Q24-A27 PolarHBondContact O-N 2.66Å
28T53Low64.2Low116 Ų11694 Ų9471%0.71251%0.508SS*.THydrogen-bonded Turntrans-90.4-3.117212.10000113.8Q24 S30Q24-T28 PolarHBondContact O-OG1 2.91Å; T28-S30 PolarHBondContact O-N 3.31Å
29F56.7Low64.6Low24 Ų2489.9 Ų89.911%0.10551%0.508CS..  trans-87.499.3-165.6-169.5-109.2000113.7M26 D31 F33 H107 R138M26-F29 HydrophobicContact CE-CD1 4.14Å; M26-F29 PolarHBondContact O-N 3.17Å; M26-F29 HydrophobicContact SD-CB 4.21Å; M26-F29 HydrophobicContact SD-CD1 4.23Å; F29-D31 VanDerWaalsContact CE1-O 3.32Å; F29-D31 WeakPolarHBondContact CE1-O 3.27Å; F29-D31 HydrophobicContact CE2-CB 3.65Å; F29-D31 HydrophobicContact CZ-CB 3.89Å; F29-D31 WeakPolarHBondContact CZ-O 3.3Å; F29-F33 HydrophobicContact CE1-CE2 4.49Å; F29-F33 HydrophobicContact CE2-CD2 4.28Å; F29-F33 HydrophobicContact CE2-CE1 4.18Å; F29-F33 AromaticContact CE2-CE2 3.56Å; F29-F33 HydrophobicContact CE2-CE2 3.56Å; F29-F33 AromaticContact CE2-CZ 3.5Å; F29-F33 HydrophobicContact CE2-CZ 3.5Å; F29-F33 VanDerWaalsContact CE2-CZ 3.5Å; F29-F33 HydrophobicContact CZ-CD1 4.41Å; F29-F33 AromaticContact CZ-CD2 3.63Å; F29-F33 HydrophobicContact CZ-CD2 3.63Å; F29-F33 HydrophobicContact CZ-CE1 4.19Å; F29-F33 AromaticContact CZ-CE2 3.37Å; F29-F33 HydrophobicContact CZ-CE2 3.37Å; F29-F33 HydrophobicContact CZ-CG 4.15Å; F29-F33 AromaticContact CZ-CZ 3.68Å; F29-F33 HydrophobicContact CZ-CZ 3.68Å; F29-H107 HydrophobicContact CD1-CB 4.3Å; F29-H107 AromaticContact CD1-CD2 3.73Å; F29-H107 AromaticContact CD2-CD2 3.5Å; F29-H107 VanDerWaalsContact CD2-CD2 3.5Å; F29-H107 WeakPolarHBondContact CD2-CD2 3.36Å; F29-H107 AromaticContact CD2-NE2 3.97Å; F29-H107 HydrophobicContact CE1-CB 3.99Å; F29-H107 AromaticContact CE1-CD2 3.81Å; F29-H107 AromaticContact CE2-CD2 3.6Å; F29-H107 AromaticContact CG-CD2 3.59Å; F29-H107 HydrophobicContact CZ-CB 4.41Å; F29-H107 AromaticContact CZ-CD2 3.76Å; F29-R138 PolarHBondContact O-NH2 3.33Å
30S59.8Low65.5Low99 Ų9992.2 Ų92.269%0.69252%0.518SS*.  trans-109.7-3.7177.355.40000114.8T28T28-S30 PolarHBondContact O-N 3.31Å
31D57.5Low67Low95 Ų9586.1 Ų86.151%0.50849%0.485SS..  trans-79.7141.9-169.3-51.7-41.2000111.6F29 F33F29-D31 VanDerWaalsContact CE1-O 3.32Å; F29-D31 WeakPolarHBondContact CE1-O 3.27Å; F29-D31 HydrophobicContact CE2-CB 3.65Å; F29-D31 HydrophobicContact CZ-CB 3.89Å; F29-D31 WeakPolarHBondContact CZ-O 3.3Å; D31-F33 HydrophobicContact CB-CD1 4.22Å; D31-F33 HydrophobicContact CB-CE1 3.79Å; D31-F33 HydrophobicContact CB-CZ 4.35Å
32V64.5Low68.7Low139 Ų13984.4 Ų84.484%0.84247%0.469SS*.  trans-92.1129.2171.2-178.90000107.9
33F62.6Low70.9Confident56 Ų5680.8 Ų80.825%0.24645%0.452CS..  trans-122.3134.9-174.6-77.9-11.7000109.3F29 D31 T106 Q110F29-F33 HydrophobicContact CE1-CE2 4.49Å; F29-F33 HydrophobicContact CE2-CD2 4.28Å; F29-F33 HydrophobicContact CE2-CE1 4.18Å; F29-F33 AromaticContact CE2-CE2 3.56Å; F29-F33 HydrophobicContact CE2-CE2 3.56Å; F29-F33 AromaticContact CE2-CZ 3.5Å; F29-F33 HydrophobicContact CE2-CZ 3.5Å; F29-F33 VanDerWaalsContact CE2-CZ 3.5Å; F29-F33 HydrophobicContact CZ-CD1 4.41Å; F29-F33 AromaticContact CZ-CD2 3.63Å; F29-F33 HydrophobicContact CZ-CD2 3.63Å; F29-F33 HydrophobicContact CZ-CE1 4.19Å; F29-F33 AromaticContact CZ-CE2 3.37Å; F29-F33 HydrophobicContact CZ-CE2 3.37Å; F29-F33 HydrophobicContact CZ-CG 4.15Å; F29-F33 AromaticContact CZ-CZ 3.68Å; F29-F33 HydrophobicContact CZ-CZ 3.68Å; D31-F33 HydrophobicContact CB-CD1 4.22Å; D31-F33 HydrophobicContact CB-CE1 3.79Å; D31-F33 HydrophobicContact CB-CZ 4.35Å; F33-T106 HydrophobicContact CB-CG2 3.37Å; F33-T106 HydrophobicContact CD2-CG2 4.44Å; F33-T106 HydrophobicContact CG-CG2 4.45Å; F33-T106 WeakPolarHBondContact O-CG2 3.45Å; F33-Q110 HydrophobicContact CB-CG 4.49Å; F33-Q110 HydrophobicContact CD2-CB 3.99Å; F33-Q110 VanDerWaalsContact CD2-CD 3.45Å; F33-Q110 HydrophobicContact CD2-CG 3.8Å; F33-Q110 HydrophobicContact CE2-CB 3.97Å; F33-Q110 HydrophobicContact CE2-CG 4.25Å; F33-Q110 VanDerWaalsContact CG-CD 3.47Å; F33-Q110 HydrophobicContact CG-CG 4.26Å
34E74.3Confident72.9Confident168 Ų16878.5 Ų78.579%0.78543%0.434SS*.  trans-108.3126.5172.9-66.9176.7179.300109
35L80.8Confident74.9Confident32 Ų3271.1 Ų71.117%0.16840%0.399CS..  trans-94.2157.9169.4-61.9174.6000111.3N37 Q38 L41 T106 A109 Q110L35-N37 PolarHBondContact O-N 3.44Å; L35-N37 VanDerWaalsContact O-N 3.1Å; L35-Q38 HydrophobicContact CB-CB 4.46Å; L35-Q38 VanDerWaalsContact CB-OE1 3.28Å; L35-Q38 VanDerWaalsContact CG-OE1 3.31Å; L35-Q38 WeakPolarHBondContact O-CB 3.3Å; L35-Q38 PolarHBondContact O-N 3.19Å; L35-L41 HydrophobicContact CD1-CD2 3.95Å; L35-T106 HydrophobicContact CD1-CG2 4.39Å; L35-T106 HydrophobicContact CG-CG2 4.12Å; L35-A109 HydrophobicContact CD1-CB 3.8Å; L35-A109 HydrophobicContact CD2-CB 4Å; L35-Q110 HydrophobicContact CD2-CG 3.85Å
36E81.8Confident76.7Confident146 Ų14673.7 Ų73.768%0.68240%0.403SS*.THydrogen-bonded Turntrans-51.1-32.6171.7-171.4-179.8-171.600113.2K115E36-K115 IonicContact OE1-NZ 3.22Å; E36-K115 PolarHBondContact OE1-NZ 2.91Å; E36-K115 WeakPolarHBondContact OE2-CD 3.47Å; E36-K115 WeakPolarHBondContact OE2-CE 3.37Å; E36-K115 IonicContact OE2-NZ 2.85Å; E36-K115 PolarHBondContact OE2-NZ 3.19Å
37N84.9Confident78.4Confident66 Ų6678.4 Ų78.435%0.35343%0.428SS..THydrogen-bonded Turntrans-114.328.3179.6-65.5-17.6000112.8L35 S39 Q40 L41 Y116L35-N37 PolarHBondContact O-N 3.44Å; L35-N37 VanDerWaalsContact O-N 3.1Å; N37-S39 VanDerWaalsContact C-N 3.26Å; N37-S39 PolarHBondContact O-N 3.31Å; N37-Q40 PolarHBondContact O-N 3.3Å; N37-Q40 VanDerWaalsContact O-N 3.14Å; N37-L41 PolarHBondContact O-N 3.44Å; N37-Y116 PolarHBondContact ND2-O 2.99Å
38Q87.3Confident80.3Confident32 Ų3275 Ų7515%0.1540%0.4CS..Hα-helixtrans-56.7-36.1-173-163.269.523.400113.4L35 Q40 L41 H42 E102 T106L35-Q38 HydrophobicContact CB-CB 4.46Å; L35-Q38 VanDerWaalsContact CB-OE1 3.28Å; L35-Q38 VanDerWaalsContact CG-OE1 3.31Å; L35-Q38 WeakPolarHBondContact O-CB 3.3Å; L35-Q38 PolarHBondContact O-N 3.19Å; Q38-Q40 VanDerWaalsContact C-N 3.33Å; Q38-Q40 PolarHBondContact O-N 3.45Å; Q38-L41 PolarHBondContact O-N 3.45Å; Q38-H42 PolarHBondContact O-N 3.18Å; Q38-E102 PolarHBondContact NE2-OE1 3.37Å; Q38-T106 PolarHBondContact NE2-OG1 3.46Å
39S90.2Very high82.1Confident101 Ų10169.7 Ų69.771%0.70637%0.367SS*.Hα-helixtrans-62.7-37.3179.457.60000113.2N37 H42 E43N37-S39 VanDerWaalsContact C-N 3.26Å; N37-S39 PolarHBondContact O-N 3.31Å; S39-H42 PolarHBondContact O-N 3.34Å; S39-E43 PolarHBondContact O-N 3.32Å; S39-E43 VanDerWaalsContact O-N 3.11Å
40Q92Very high83.7Confident73 Ų7373.8 Ų73.834%0.34139%0.387SS..Hα-helixtrans-72-40.5176.4-166.665.565.500110.8N37 Q38 H42 E43 D44 S118N37-Q40 PolarHBondContact O-N 3.3Å; N37-Q40 VanDerWaalsContact O-N 3.14Å; Q38-Q40 VanDerWaalsContact C-N 3.33Å; Q38-Q40 PolarHBondContact O-N 3.45Å; Q40-H42 VanDerWaalsContact C-N 3.25Å; Q40-H42 PolarHBondContact O-N 3.21Å; Q40-E43 PolarHBondContact NE2-OE2 2.78Å; Q40-E43 PolarHBondContact O-N 3.35Å; Q40-D44 PolarHBondContact NE2-OD1 2.9Å; Q40-D44 WeakPolarHBondContact O-CB 3.46Å; Q40-D44 PolarHBondContact O-N 3.02Å; Q40-S118 VanDerWaalsContact CG-OG 3.26Å; Q40-S118 WeakPolarHBondContact CG-OG 3.47Å
41L91.7Very high85.1Confident0 Ų073.1 Ų73.10%037%0.372CS..Hα-helixtrans-59.6-38.2174.4176.160.2000111.7L35 N37 Q38 C45 E102 L105 T106 Y116L35-L41 HydrophobicContact CD1-CD2 3.95Å; N37-L41 PolarHBondContact O-N 3.44Å; Q38-L41 PolarHBondContact O-N 3.45Å; L41-C45 WeakPolarHBondContact O-CB 3.44Å; L41-C45 PolarHBondContact O-N 3.07Å; L41-C45 PolarHBondContact O-SG 3.13Å; L41-E102 HydrophobicContact CD2-CG 4.28Å; L41-E102 HydrophobicContact CG-CG 4.28Å; L41-L105 HydrophobicContact CD1-CB 3.85Å; L41-L105 HydrophobicContact CD1-CD1 3.59Å; L41-L105 HydrophobicContact CD1-CG 4.35Å; L41-L105 HydrophobicContact CD2-CB 4.24Å; L41-T106 VanDerWaalsContact CD2-OG1 3.23Å; L41-T106 WeakPolarHBondContact CD2-OG1 3.34Å; L41-Y116 HydrophobicContact CB-CD1 3.75Å; L41-Y116 HydrophobicContact CB-CE1 3.85Å; L41-Y116 HydrophobicContact CB-CG 4.24Å; L41-Y116 HydrophobicContact CD1-CD1 4.35Å; L41-Y116 HydrophobicContact CD1-CD2 3.98Å; L41-Y116 HydrophobicContact CD1-CE1 4.12Å; L41-Y116 HydrophobicContact CD1-CE2 3.72Å; L41-Y116 HydrophobicContact CD1-CG 4.29Å
42H92.2Very high86.6Confident86 Ų8668.6 Ų68.640%0.39835%0.349SS..Hα-helixtrans-67.1-48.8177.2-168.573.5000112Q38 S39 Q40 C45 E46 E102Q38-H42 PolarHBondContact O-N 3.18Å; S39-H42 PolarHBondContact O-N 3.34Å; Q40-H42 VanDerWaalsContact C-N 3.25Å; Q40-H42 PolarHBondContact O-N 3.21Å; H42-C45 PolarHBondContact O-N 2.87Å; H42-E46 WeakPolarHBondContact O-CB 3.48Å; H42-E46 PolarHBondContact O-N 3.26Å; H42-E102 IonicContact CE1-OE2 3.54Å; H42-E102 IonicContact CG-OE2 2.96Å; H42-E102 IonicContact ND1-OE1 3.28Å; H42-E102 IonicContact ND1-OE2 2.72Å; H42-E102 PolarHBondContact ND1-OE2 3.47Å
43E92.9Very high87.7Confident102 Ų10263.1 Ų63.148%0.47732%0.316SS..Hα-helixtrans-58.8-48176.1-177.6176.2-14200111.7S39 Q40 C45 E46 L47S39-E43 PolarHBondContact O-N 3.32Å; S39-E43 VanDerWaalsContact O-N 3.11Å; Q40-E43 PolarHBondContact NE2-OE2 2.78Å; Q40-E43 PolarHBondContact O-N 3.35Å; E43-C45 VanDerWaalsContact C-N 3.35Å; E43-C45 PolarHBondContact O-N 3.11Å; E43-E46 PolarHBondContact O-N 2.89Å; E43-L47 HydrophobicContact CG-CD1 4.26Å; E43-L47 WeakPolarHBondContact O-CG 3.42Å; E43-L47 PolarHBondContact O-N 3.31Å; E43-L47 VanDerWaalsContact O-N 3.08Å
44D93.3Very high88.8Confident26 Ų2665.3 Ų65.314%0.13933%0.331CS..Hα-helixtrans-62.4-40.9178.9-60.5-11.1000111.5Q40 A48 Y116 S118 V123Q40-D44 PolarHBondContact NE2-OD1 2.9Å; Q40-D44 WeakPolarHBondContact O-CB 3.46Å; Q40-D44 PolarHBondContact O-N 3.02Å; D44-A48 WeakPolarHBondContact O-CB 3.33Å; D44-A48 PolarHBondContact O-N 3.29Å; D44-A48 VanDerWaalsContact O-N 3.16Å; D44-Y116 WeakPolarHBondContact OD2-CE1 3.46Å; D44-Y116 PolarHBondContact OD2-OH 3.31Å; D44-S118 PolarHBondContact OD1-OG 3.46Å; D44-S118 VanDerWaalsContact OD2-CB 3.22Å; D44-S118 WeakPolarHBondContact OD2-CB 3.39Å; D44-S118 PolarHBondContact OD2-OG 3.47Å; D44-V123 HydrophobicContact CB-CG2 4.02Å
45C93.3Very high89.3Confident0 Ų060 Ų600%030%0.303CS..Hα-helixtrans-71.1-35.6176.6-78.20000113.3L41 H42 E43 S49 L101 E102L41-C45 WeakPolarHBondContact O-CB 3.44Å; L41-C45 PolarHBondContact O-N 3.07Å; L41-C45 PolarHBondContact O-SG 3.13Å; H42-C45 PolarHBondContact O-N 2.87Å; E43-C45 VanDerWaalsContact C-N 3.35Å; E43-C45 PolarHBondContact O-N 3.11Å; C45-S49 VanDerWaalsContact O-CB 3.25Å; C45-S49 WeakPolarHBondContact O-CB 3.33Å; C45-S49 PolarHBondContact O-N 2.98Å; C45-L101 HydrophobicContact CB-CB 4.41Å; C45-E102 HydrophobicContact CB-CB 4.44Å
46E92.9Very high89.4Confident102 Ų10259.4 Ų59.448%0.47730%0.3SS..Hα-helixtrans-63.3-53.4176.3-175.6166.3-13900110.1H42 E43 A48 S49 E50H42-E46 WeakPolarHBondContact O-CB 3.48Å; H42-E46 PolarHBondContact O-N 3.26Å; E43-E46 PolarHBondContact O-N 2.89Å; E46-A48 PolarHBondContact O-N 2.85Å; E46-S49 WeakPolarHBondContact O-CA 3.4Å; E46-S49 WeakPolarHBondContact O-CB 3.33Å; E46-S49 PolarHBondContact O-N 3.37Å; E46-S49 PolarHBondContact O-OG 2.86Å; E46-E50 PolarHBondContact O-N 2.82Å
47L92.8Very high89.5Confident105 Ų10555.9 Ų55.955%0.5529%0.289SS..Hα-helixtrans-55.8-47.2177.1-68.8170.1000112.3E43 S49 E50 E51E43-L47 HydrophobicContact CG-CD1 4.26Å; E43-L47 WeakPolarHBondContact O-CG 3.42Å; E43-L47 PolarHBondContact O-N 3.31Å; E43-L47 VanDerWaalsContact O-N 3.08Å; L47-S49 VanDerWaalsContact C-N 3.28Å; L47-S49 PolarHBondContact O-N 2.68Å; L47-E50 PolarHBondContact O-N 2.92Å; L47-E51 PolarHBondContact O-N 3.38Å
48A91.4Very high89.4Confident8 Ų858.5 Ų58.57%0.06630%0.299CS..Hα-helixtrans-64.9-31.7176.400000112.7D44 E46 L52 L101 V123D44-A48 WeakPolarHBondContact O-CB 3.33Å; D44-A48 PolarHBondContact O-N 3.29Å; D44-A48 VanDerWaalsContact O-N 3.16Å; E46-A48 PolarHBondContact O-N 2.85Å; A48-L52 VanDerWaalsContact O-CB 3.29Å; A48-L52 WeakPolarHBondContact O-CB 3.42Å; A48-L52 WeakPolarHBondContact O-CD1 3.41Å; A48-L52 WeakPolarHBondContact O-CG 3.23Å; A48-L52 PolarHBondContact O-N 3.42Å; A48-L101 HydrophobicContact CB-CD1 4.49Å; A48-V123 HydrophobicContact CB-CG1 3.42Å; A48-V123 VanDerWaalsContact CB-CG1 3.42Å
49S91.7Very high89Confident4 Ų459.3 Ų59.33%0.02830%0.303CS..Hα-helixtrans-72.1-33.6177.7810000113.2C45 E46 L47 S53 A94C45-S49 VanDerWaalsContact O-CB 3.25Å; C45-S49 WeakPolarHBondContact O-CB 3.33Å; C45-S49 PolarHBondContact O-N 2.98Å; E46-S49 WeakPolarHBondContact O-CA 3.4Å; E46-S49 WeakPolarHBondContact O-CB 3.33Å; E46-S49 PolarHBondContact O-N 3.37Å; E46-S49 PolarHBondContact O-OG 2.86Å; L47-S49 VanDerWaalsContact C-N 3.28Å; L47-S49 PolarHBondContact O-N 2.68Å; S49-S53 VanDerWaalsContact O-CB 3.22Å; S49-S53 WeakPolarHBondContact O-CB 3.45Å; S49-S53 PolarHBondContact O-N 3.39Å; S49-A94 WeakPolarHBondContact CB-O 3.5Å
50E90.4Very high88.4Confident109 Ų10957 Ų5751%0.50928%0.28SS..Hα-helixtrans-67-48.7173.7-66.1-161137.400110.8E46 L47 L52 S53 N54E46-E50 PolarHBondContact O-N 2.82Å; L47-E50 PolarHBondContact O-N 2.92Å; E50-L52 PolarHBondContact O-N 3.17Å; E50-S53 PolarHBondContact O-N 3.31Å; E50-N54 WeakPolarHBondContact O-CB 3.39Å; E50-N54 VanDerWaalsContact O-CG 3.26Å; E50-N54 PolarHBondContact O-N 2.87Å; E50-N54 PolarHBondContact O-ND2 3.27Å; E50-N54 VanDerWaalsContact O-ND2 3.14Å
51E89Confident87.7Confident85 Ų8556.2 Ų56.240%0.39728%0.283SS..Hα-helixtrans-57.2-47.4176.4-170.1-177.3-162.900111.7L47 S53 N54 R55 K127L47-E51 PolarHBondContact O-N 3.38Å; E51-S53 PolarHBondContact O-N 2.76Å; E51-N54 PolarHBondContact O-N 2.97Å; E51-R55 PolarHBondContact O-N 3.11Å; E51-K127 IonicContact OE1-NZ 3.63Å; E51-K127 PolarHBondContact OE1-NZ 2.89Å; E51-K127 WeakPolarHBondContact OE2-CD 3.44Å; E51-K127 WeakPolarHBondContact OE2-CE 3.48Å; E51-K127 IonicContact OE2-NZ 2.65Å; E51-K127 PolarHBondContact OE2-NZ 3.29Å
52L88.8Confident87Confident1 Ų161 Ų611%0.00531%0.308CS..Hα-helixtrans-58.5-46.3174-79.3169000112.6A48 E50 R55 L56 I97 L101 K127 F130 I131A48-L52 VanDerWaalsContact O-CB 3.29Å; A48-L52 WeakPolarHBondContact O-CB 3.42Å; A48-L52 WeakPolarHBondContact O-CD1 3.41Å; A48-L52 WeakPolarHBondContact O-CG 3.23Å; A48-L52 PolarHBondContact O-N 3.42Å; E50-L52 PolarHBondContact O-N 3.17Å; L52-R55 PolarHBondContact O-N 2.72Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 WeakPolarHBondContact O-CD1 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 2.84Å; L52-I97 HydrophobicContact CB-CD1 4.36Å; L52-I97 HydrophobicContact CB-CG2 4.42Å; L52-I97 HydrophobicContact CD1-CG2 3.64Å; L52-L101 HydrophobicContact CD1-CD1 4.04Å; L52-K127 HydrophobicContact CD1-CG 4.49Å; L52-K127 HydrophobicContact CD2-CG 3.88Å; L52-K127 HydrophobicContact CG-CG 4.06Å; L52-F130 HydrophobicContact CD1-CD1 4.39Å; L52-F130 HydrophobicContact CD1-CG 4.44Å; L52-F130 HydrophobicContact CD2-CB 4.37Å; L52-F130 HydrophobicContact CD2-CD1 4.07Å; L52-I131 HydrophobicContact CD2-CD1 3.75Å; L52-I131 HydrophobicContact CD2-CG1 3.35Å
53S87.1Confident85.9Confident24 Ų2462.2 Ų62.217%0.16831%0.312CS..Hα-helixtrans-66.2-39.8-177.5-165.50000111.7S49 E50 E51 T57S49-S53 VanDerWaalsContact O-CB 3.22Å; S49-S53 WeakPolarHBondContact O-CB 3.45Å; S49-S53 PolarHBondContact O-N 3.39Å; E50-S53 PolarHBondContact O-N 3.31Å; E51-S53 PolarHBondContact O-N 2.76Å; S53-T57 WeakPolarHBondContact O-CB 3.41Å; S53-T57 PolarHBondContact O-N 3.24Å; S53-T57 VanDerWaalsContact O-N 3.1Å; S53-T57 PolarHBondContact O-OG1 3.13Å
54N86.6Confident84.8Confident102 Ų10261.7 Ų61.755%0.54531%0.31SS..Hα-helixtrans-62.6-55173.8-69.2-32.2000111.1E50 E51 L56 T57 E58E50-N54 WeakPolarHBondContact O-CB 3.39Å; E50-N54 VanDerWaalsContact O-CG 3.26Å; E50-N54 PolarHBondContact O-N 2.87Å; E50-N54 PolarHBondContact O-ND2 3.27Å; E50-N54 VanDerWaalsContact O-ND2 3.14Å; E51-N54 PolarHBondContact O-N 2.97Å; N54-L56 VanDerWaalsContact C-N 3.33Å; N54-L56 PolarHBondContact O-N 2.86Å; N54-T57 WeakPolarHBondContact O-CB 3.32Å; N54-T57 PolarHBondContact O-N 3.12Å; N54-E58 PolarHBondContact O-N 3.29Å
55R84.2Confident83.6Confident55 Ų5563.8 Ų63.821%0.20833%0.327CS..Hα-helixtrans-61.8-37.3-178-167.3173.9-174.5-160.52.4112.9E51 L52 T57 E58 E59 E207 D208E51-R55 PolarHBondContact O-N 3.11Å; L52-R55 PolarHBondContact O-N 2.72Å; R55-T57 VanDerWaalsContact C-N 3.34Å; R55-E58 PolarHBondContact O-N 3.16Å; R55-E59 WeakPolarHBondContact O-CB 3.24Å; R55-E59 PolarHBondContact O-N 3.3Å; R55-E207 VanDerWaalsContact CD-OE2 3.23Å; R55-E207 WeakPolarHBondContact CD-OE2 3.39Å; R55-E207 IonicContact CZ-OE2 3.61Å; R55-E207 VanDerWaalsContact CZ-OE2 3.3Å; R55-E207 IonicContact NE-OE2 2.71Å; R55-E207 PolarHBondContact NH1-O 3.01Å; R55-E207 IonicContact NH1-OE2 2.73Å; R55-E207 PolarHBondContact NH1-OE2 3.26Å; R55-E207 PolarHBondContact NH2-O 3.15Å; R55-D208 IonicContact NH2-OD1 2.76Å; R55-D208 PolarHBondContact NH2-OD1 3Å
56L83Confident82.1Confident21 Ų2170.3 Ų70.311%0.1136%0.355CS..Hα-helixtrans-67.1-34.5174.9-71.5170000112.4L52 N54 H60 L91 I97 F130L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 WeakPolarHBondContact O-CD1 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 2.84Å; N54-L56 VanDerWaalsContact C-N 3.33Å; N54-L56 PolarHBondContact O-N 2.86Å; L56-H60 WeakPolarHBondContact O-CB 3.35Å; L56-H60 PolarHBondContact O-N 3.45Å; L56-H60 VanDerWaalsContact O-N 3.09Å; L56-L91 HydrophobicContact CB-CD2 3.92Å; L56-I97 HydrophobicContact CD1-CD1 4.44Å; L56-F130 HydrophobicContact CD1-CD1 4.47Å; L56-F130 HydrophobicContact CD1-CE1 3.97Å
57T84.2Confident80.3Confident72 Ų7269.2 Ų69.244%0.44235%0.353SS..Hα-helixtrans-70.4-40.4175.9-58.80000111.3S53 N54 R55 H60 S61S53-T57 WeakPolarHBondContact O-CB 3.41Å; S53-T57 PolarHBondContact O-N 3.24Å; S53-T57 VanDerWaalsContact O-N 3.1Å; S53-T57 PolarHBondContact O-OG1 3.13Å; N54-T57 WeakPolarHBondContact O-CB 3.32Å; N54-T57 PolarHBondContact O-N 3.12Å; R55-T57 VanDerWaalsContact C-N 3.34Å; T57-H60 PolarHBondContact O-N 2.85Å; T57-S61 PolarHBondContact O-N 2.84Å; T57-S61 PolarHBondContact O-OG 3.35Å
58E82.6Confident78.8Confident121 Ų12169.9 Ų69.957%0.56536%0.355SS*.Hα-helixtrans-62.2-49.2172.6-70.1-179.1170.100111.5N54 R55 H60 S61 L62N54-E58 PolarHBondContact O-N 3.29Å; R55-E58 PolarHBondContact O-N 3.16Å; E58-H60 PolarHBondContact O-N 3.33Å; E58-S61 PolarHBondContact O-N 2.78Å; E58-S61 PolarHBondContact O-OG 3.07Å; E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CG 3.37Å; E58-L62 PolarHBondContact O-N 2.92Å
59E78.7Confident77.1Confident48 Ų4872.3 Ų72.322%0.22437%0.372CS..Hα-helixtrans-51.4-43.7173.2-106.8-161.1-113.100112.4R55 K63 K134R55-E59 WeakPolarHBondContact O-CB 3.24Å; R55-E59 PolarHBondContact O-N 3.3Å; E59-K63 WeakPolarHBondContact O-CB 3.43Å; E59-K63 WeakPolarHBondContact O-CD 3.45Å; E59-K63 VanDerWaalsContact O-CG 3.27Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.39Å; E59-K63 VanDerWaalsContact O-N 3.09Å; E59-K63 IonicContact OE2-NZ 3.61Å; E59-K63 PolarHBondContact OE2-NZ 2.63Å; E59-K134 IonicContact OE1-NZ 3.86Å; E59-K134 PolarHBondContact OE1-NZ 3.31Å; E59-K134 IonicContact OE2-NZ 3.53Å; E59-K134 PolarHBondContact OE2-NZ 3.37Å
60H76.8Confident75.2Confident52 Ų5277.4 Ų77.424%0.24140%0.399CS..Hα-helixtrans-69.4-45.5-178.1-168.9-109.7000111.7L56 T57 E58 L62 K63 Q64 L91L56-H60 WeakPolarHBondContact O-CB 3.35Å; L56-H60 PolarHBondContact O-N 3.45Å; L56-H60 VanDerWaalsContact O-N 3.09Å; T57-H60 PolarHBondContact O-N 2.85Å; E58-H60 PolarHBondContact O-N 3.33Å; H60-L62 PolarHBondContact O-N 3.39Å; H60-K63 PolarHBondContact O-N 3.17Å; H60-Q64 PolarHBondContact CE1-NE2 2.88Å; H60-Q64 WeakPolarHBondContact O-CG 3.37Å; H60-Q64 PolarHBondContact O-N 2.95Å; H60-L91 HydrophobicContact CB-CD1 4.25Å
61S78.8Confident73.4Confident57 Ų5778.7 Ų78.740%0.39941%0.409SS..Hα-helixtrans-65.5-36.5177.566.70000112.8T57 E58 Q64 S65T57-S61 PolarHBondContact O-N 2.84Å; T57-S61 PolarHBondContact O-OG 3.35Å; E58-S61 PolarHBondContact O-N 2.78Å; E58-S61 PolarHBondContact O-OG 3.07Å; S61-Q64 PolarHBondContact O-N 3.18Å; S61-S65 WeakPolarHBondContact O-CB 3.22Å; S61-S65 PolarHBondContact O-N 3.17Å; S61-S65 PolarHBondContact O-OG 3.19Å
62L76.3Confident71.6Confident101 Ų10179.1 Ų79.153%0.52942%0.421SS..Hα-helixtrans-64.5-39.4173.1-74.2166.2000112.1E58 H60 K66E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CG 3.37Å; E58-L62 PolarHBondContact O-N 2.92Å; H60-L62 PolarHBondContact O-N 3.39Å; L62-K66 WeakPolarHBondContact O-CG 3.43Å; L62-K66 PolarHBondContact O-N 3.2Å; L62-K66 VanDerWaalsContact O-N 3.07Å
63K70.4Confident69.8Low111 Ų11184.6 Ų84.648%0.48345%0.454SS..Hα-helixtrans-69.1-44176.5-75.9165.4-179.7170.70111.9E59 H60 S65 K66 N67E59-K63 WeakPolarHBondContact O-CB 3.43Å; E59-K63 WeakPolarHBondContact O-CD 3.45Å; E59-K63 VanDerWaalsContact O-CG 3.27Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.39Å; E59-K63 VanDerWaalsContact O-N 3.09Å; E59-K63 IonicContact OE2-NZ 3.61Å; E59-K63 PolarHBondContact OE2-NZ 2.63Å; H60-K63 PolarHBondContact O-N 3.17Å; K63-S65 PolarHBondContact O-N 3.28Å; K63-K66 PolarHBondContact O-N 3.23Å; K63-N67 PolarHBondContact O-N 3.08Å; K63-N67 VanDerWaalsContact O-N 3.08Å
64Q68.1Low67.8Low91 Ų9190 Ų9043%0.42548%0.481SS..Hα-helixtrans-59.7-45172.7-72.3-174.8-20.600111.8H60 S61 K66 N67 I68H60-Q64 PolarHBondContact CE1-NE2 2.88Å; H60-Q64 WeakPolarHBondContact O-CG 3.37Å; H60-Q64 PolarHBondContact O-N 2.95Å; S61-Q64 PolarHBondContact O-N 3.18Å; Q64-K66 PolarHBondContact O-N 3.46Å; Q64-N67 PolarHBondContact O-N 2.9Å; Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 3.44Å
65S69Low65.7Low71 Ų7189.9 Ų89.950%0.49749%0.488SS..Hα-helixtrans-60.2-45178.8-58.80000112.4S61 K63 N67 I68 S69S61-S65 WeakPolarHBondContact O-CB 3.22Å; S61-S65 PolarHBondContact O-N 3.17Å; S61-S65 PolarHBondContact O-OG 3.19Å; K63-S65 PolarHBondContact O-N 3.28Å; S65-N67 VanDerWaalsContact C-N 3.33Å; S65-N67 PolarHBondContact O-N 2.82Å; S65-I68 PolarHBondContact O-N 2.9Å; S65-S69 PolarHBondContact O-N 3.23Å; S65-S69 PolarHBondContact O-OG 2.91Å
66K61.1Low64.1Low136 Ų13694 Ų9459%0.59151%0.514SS*.Hα-helixtrans-63.8-36.3176.5-74.4174.6179.9178.70112.7L62 K63 Q64 S69 N70L62-K66 WeakPolarHBondContact O-CG 3.43Å; L62-K66 PolarHBondContact O-N 3.2Å; L62-K66 VanDerWaalsContact O-N 3.07Å; K63-K66 PolarHBondContact O-N 3.23Å; Q64-K66 PolarHBondContact O-N 3.46Å; K66-S69 WeakPolarHBondContact CA-OG 3.42Å; K66-S69 PolarHBondContact O-OG 3.16Å; K66-N70 WeakPolarHBondContact O-CB 3.13Å; K66-N70 PolarHBondContact O-N 3.32Å; K66-N70 PolarHBondContact O-ND2 3.2Å; K66-N70 PolarHBondContact O-OD1 3.38Å
67N56.5Low62.5Low80 Ų80100.9 Ų100.943%0.42855%0.551SS.*Hα-helixtrans-67.3-43.7175.5-71.1-6.2000111.3K63 Q64 S65 S69 N70 L71K63-N67 PolarHBondContact O-N 3.08Å; K63-N67 VanDerWaalsContact O-N 3.08Å; Q64-N67 PolarHBondContact O-N 2.9Å; S65-N67 VanDerWaalsContact C-N 3.33Å; S65-N67 PolarHBondContact O-N 2.82Å; N67-S69 PolarHBondContact O-N 3.01Å; N67-N70 PolarHBondContact O-N 2.99Å; N67-N70 VanDerWaalsContact O-N 3.14Å; N67-L71 WeakPolarHBondContact O-CD1 3.37Å; N67-L71 PolarHBondContact O-N 3.05Å; N67-L71 VanDerWaalsContact O-N 3.1Å
68I59.8Low60.6Low118 Ų118105.3 Ų105.361%0.60557%0.572SS**Hα-helixtrans-61-44.7177.6-66.5163.2000111.1Q64 S65 N70 L71 S72Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 3.44Å; S65-I68 PolarHBondContact O-N 2.9Å; I68-N70 PolarHBondContact O-N 2.75Å; I68-L71 PolarHBondContact O-N 2.85Å; I68-S72 PolarHBondContact O-N 3.28Å; I68-S72 VanDerWaalsContact O-N 3.12Å
69S55.8Low59.1Low60 Ų60107.1 Ų107.142%0.4259%0.586SS.*Hα-helixtrans-65.3-25.4176.857.30000113.9S65 K66 N67 S72S65-S69 PolarHBondContact O-N 3.23Å; S65-S69 PolarHBondContact O-OG 2.91Å; K66-S69 WeakPolarHBondContact CA-OG 3.42Å; K66-S69 PolarHBondContact O-OG 3.16Å; N67-S69 PolarHBondContact O-N 3.01Å; S69-S72 PolarHBondContact O-OG 3.36Å
70N52.4Low57.5Low111 Ų111110.3 Ų110.359%0.59461%0.614SS**Hα-helixtrans-81.7-25.8176.8-70.3-8.3000112.5K66 N67 I68K66-N70 WeakPolarHBondContact O-CB 3.13Å; K66-N70 PolarHBondContact O-N 3.32Å; K66-N70 PolarHBondContact O-ND2 3.2Å; K66-N70 PolarHBondContact O-OD1 3.38Å; N67-N70 PolarHBondContact O-N 2.99Å; N67-N70 VanDerWaalsContact O-N 3.14Å; I68-N70 PolarHBondContact O-N 2.75Å
71L52.3Low55.7Low135 Ų135115.1 Ų115.171%0.70764%0.641SS**Hα-helixtrans-76.8-34170.7-88.279.6000112N67 I68 V73 N74N67-L71 WeakPolarHBondContact O-CD1 3.37Å; N67-L71 PolarHBondContact O-N 3.05Å; N67-L71 VanDerWaalsContact O-N 3.1Å; I68-L71 PolarHBondContact O-N 2.85Å; L71-V73 PolarHBondContact O-N 3.19Å; L71-N74 PolarHBondContact O-N 2.63Å
72S52.2Low54Low94 Ų94120.3 Ų120.366%0.65766%0.664SS**THydrogen-bonded Turntrans-75.414.5-173.170.60000116.1I68 S69I68-S72 PolarHBondContact O-N 3.28Å; I68-S72 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-OG 3.36Å
73V51.2Low52.1Low116 Ų116124.3 Ų124.370%0.70368%0.68SS**THydrogen-bonded Turntrans-112.7-16178.5-179.20000112.2L71L71-V73 PolarHBondContact O-N 3.19Å
74N44.9Very low50.5Low138 Ų138123.8 Ų123.874%0.73870%0.696SS**  trans-111.574.3176.8-65.2-27.4000110.2L71L71-N74 PolarHBondContact O-N 2.63Å
75S42.2Very low48.9Very low99 Ų99125.2 Ų125.269%0.69272%0.716SS**  trans-74.6170.1156.673.50000109.8
76D50.3Low47.4Very low141 Ų141126.1 Ų126.175%0.75472%0.723SS**  trans73.658.4172.4-49.413.2000114.7
77N48.5Very low46.3Very low166 Ų166125.8 Ų125.889%0.88873%0.726SS**  trans-155.1112143.3-88.2-60.9000110
78D45.5Very low45.2Very low165 Ų165129 Ų12988%0.88274%0.744SS**  trans-81.6114.5165.5-66.5-61000109.3
79D49.7Very low44.8Very low159 Ų159128.6 Ų128.685%0.8575%0.747SS**  trans177.2161.2140.2-104.9-29.6000112.7
80S45.9Very low44.8Very low115 Ų115134.2 Ų134.280%0.80476%0.764SS**  trans68.1111.2172.6620000118.9
81D39.4Very low45.5Very low154 Ų154131.4 Ų131.482%0.82475%0.749SS**  trans-66.2173.5162.4-57.4-85.4000113.1
82L42Very low46.5Very low166 Ų166126.8 Ų126.887%0.86973%0.727SS**  trans81.556.4158.6-54.6167000119.9
83E37.8Very low47.9Very low184 Ų184125.9 Ų125.986%0.8672%0.718SS**  trans-152.390.9138-83-140.6164.100111.8
84A36Very low49.6Very low100 Ų100121.6 Ų121.683%0.82670%0.695SS**  trans-143.94.4178.900000115.1
85S34.5Very low51.6Low122 Ų122119.1 Ų119.185%0.85369%0.694SS**SBendtrans-102.73.7-167.548.50000115.1
86S36.7Very low53.8Low90 Ų90120.2 Ų120.263%0.62969%0.686SS**SBendtrans-108.60.7-162.446.50000116.2
87L37.9Very low55.7Low128 Ų128113.5 Ų113.567%0.6765%0.65SS**  trans-110.55.4-169.6-76.9171.2000116.7V89L87-V89 PolarHBondContact O-N 2.83Å; L87-V89 VanDerWaalsContact O-N 3.08Å
88N34.7Very low57.7Low148 Ų148106 Ų10679%0.79161%0.611SS**  trans-82.980174-79.4-18.3000111.6F90N88-F90 PolarHBondContact O-N 3.4Å
89V50.7Low59.8Low110 Ų11099.9 Ų99.967%0.66759%0.586SS**  trans-69.5108.9167.7178.80000108.6L87 L91L87-V89 PolarHBondContact O-N 2.83Å; L87-V89 VanDerWaalsContact O-N 3.08Å; V89-L91 PolarHBondContact O-N 2.93Å; V89-L91 VanDerWaalsContact O-N 3.14Å
90F56.3Low61.7Low178 Ų17893.8 Ų93.878%0.78155%0.554SS**  trans-68.4108.3-178-169.7-86.7000110.7N88N88-F90 PolarHBondContact O-N 3.4Å
91L67.3Low64Low52 Ų5288.4 Ų88.427%0.27252%0.516SS..PPolyproline II helixtrans-61.4135.6174.2-95.772.3000110.4L56 H60 V89L56-L91 HydrophobicContact CB-CD2 3.92Å; H60-L91 HydrophobicContact CB-CD1 4.25Å; V89-L91 PolarHBondContact O-N 2.93Å; V89-L91 VanDerWaalsContact O-N 3.14Å
92P73.4Confident66.5Low38 Ų3882.8 Ų82.825%0.24749%0.485CS..PPolyproline II helixtrans-67.2134.2172.127.6-32.1000110.2K96 I97P92-K96 HydrophobicContact CB-CD 4.19Å; P92-I97 HydrophobicContact CB-CG1 4.15Å; P92-I97 HydrophobicContact CG-CD1 4.11Å; P92-I97 HydrophobicContact CG-CG1 4.01Å
93P81.5Confident68.8Low74 Ų7476.1 Ų76.148%0.48145%0.452SS..PPolyproline II helixtrans-60.2147173.1-23.533.9000111.9A95 K96 I97P93-A95 VanDerWaalsContact C-N 3.29Å; P93-A95 PolarHBondContact O-N 3.05Å; P93-K96 WeakPolarHBondContact O-CA 3.3Å; P93-K96 WeakPolarHBondContact O-CB 3.27Å; P93-K96 PolarHBondContact O-N 3.17Å; P93-I97 PolarHBondContact O-N 3.13Å
94A86.1Confident71.4Confident27 Ų2767.3 Ų67.322%0.22341%0.411CS..Hα-helixtrans-51.5-44.9-179.200000112.7S49 K96 I97 S98S49-A94 WeakPolarHBondContact CB-O 3.5Å; A94-K96 PolarHBondContact O-N 3.48Å; A94-K96 VanDerWaalsContact O-N 3.17Å; A94-I97 CarbonylContact O-C 3.59Å; A94-I97 WeakPolarHBondContact O-CA 3.43Å; A94-I97 WeakPolarHBondContact O-CB 3.46Å; A94-I97 PolarHBondContact O-N 2.69Å; A94-S98 PolarHBondContact O-N 3.41Å
95A87.2Confident74.1Confident86 Ų8662.6 Ų62.671%0.71137%0.372SS*.Hα-helixtrans-58.3-29.3175.800000114.2P93 G99P93-A95 VanDerWaalsContact C-N 3.29Å; P93-A95 PolarHBondContact O-N 3.05Å; A95-G99 PolarHBondContact O-N 2.81Å
96K88.2Confident76.8Confident121 Ų12157 Ų5753%0.52633%0.333SS..Hα-helixtrans-73.3-43.4171.6-167.2-156.9169.4-153.10110.7P92 P93 A94 G99 D100P92-K96 HydrophobicContact CB-CD 4.19Å; P93-K96 WeakPolarHBondContact O-CA 3.3Å; P93-K96 WeakPolarHBondContact O-CB 3.27Å; P93-K96 PolarHBondContact O-N 3.17Å; A94-K96 PolarHBondContact O-N 3.48Å; A94-K96 VanDerWaalsContact O-N 3.17Å; K96-G99 PolarHBondContact O-N 2.91Å; K96-D100 WeakPolarHBondContact CE-OD2 3.27Å; K96-D100 IonicContact NZ-OD2 3.65Å; K96-D100 WeakPolarHBondContact O-CB 3.4Å; K96-D100 PolarHBondContact O-N 2.86Å
97I89.8Confident79.4Confident1 Ų153.6 Ų53.61%0.00531%0.307CS..Hα-helixtrans-58.8-49176.9-55.7176000109.8L52 L56 P92 P93 A94 G99 D100 L101 F130L52-I97 HydrophobicContact CB-CD1 4.36Å; L52-I97 HydrophobicContact CB-CG2 4.42Å; L52-I97 HydrophobicContact CD1-CG2 3.64Å; L56-I97 HydrophobicContact CD1-CD1 4.44Å; P92-I97 HydrophobicContact CB-CG1 4.15Å; P92-I97 HydrophobicContact CG-CD1 4.11Å; P92-I97 HydrophobicContact CG-CG1 4.01Å; P93-I97 PolarHBondContact O-N 3.13Å; A94-I97 CarbonylContact O-C 3.59Å; A94-I97 WeakPolarHBondContact O-CA 3.43Å; A94-I97 WeakPolarHBondContact O-CB 3.46Å; A94-I97 PolarHBondContact O-N 2.69Å; I97-G99 PolarHBondContact O-N 3.2Å; I97-D100 PolarHBondContact O-N 3.15Å; I97-L101 HydrophobicContact CG2-CD1 3.94Å; I97-L101 HydrophobicContact CG2-CG 4.27Å; I97-L101 WeakPolarHBondContact O-CB 3.48Å; I97-L101 VanDerWaalsContact O-CG 3.25Å; I97-L101 WeakPolarHBondContact O-CG 3.5Å; I97-L101 PolarHBondContact O-N 3.16Å; I97-F130 HydrophobicContact CD1-CE1 4.33Å; I97-F130 HydrophobicContact CD1-CZ 4.42Å; I97-F130 HydrophobicContact CG1-CE1 4.48Å; I97-F130 HydrophobicContact CG1-CZ 4.08Å; I97-F130 HydrophobicContact CG2-CE1 4.41Å; I97-F130 HydrophobicContact CG2-CE2 4.25Å; I97-F130 HydrophobicContact CG2-CZ 4.12Å
98S91.1Very high81.9Confident9 Ų947.5 Ų47.56%0.06328%0.275CS..Hα-helixtrans-56.6-49.6175.9-178.60000111.8A94 D100 L101 E102A94-S98 PolarHBondContact O-N 3.41Å; S98-D100 PolarHBondContact O-N 2.9Å; S98-L101 PolarHBondContact O-N 3.14Å; S98-E102 WeakPolarHBondContact O-CB 3.45Å; S98-E102 PolarHBondContact O-N 3.11Å
99G89.8Confident84.6Confident35 Ų3540.5 Ų40.536%0.36124%0.237SC..Hα-helixtrans-63.5-35.1177.500000114.7A95 K96 I97 S103A95-G99 PolarHBondContact O-N 2.81Å; K96-G99 PolarHBondContact O-N 2.91Å; I97-G99 PolarHBondContact O-N 3.2Å; G99-S103 WeakPolarHBondContact O-CB 3.31Å; G99-S103 PolarHBondContact O-N 2.81Å; G99-S103 VanDerWaalsContact O-N 3.11Å; G99-S103 PolarHBondContact O-OG 3.1Å
100D90.4Very high86.4Confident32 Ų3238.8 Ų38.817%0.17122%0.222CC..Hα-helixtrans-68.7-40.3173.1-82.5-35.8000111.1K96 I97 S98 V104K96-D100 WeakPolarHBondContact CE-OD2 3.27Å; K96-D100 IonicContact NZ-OD2 3.65Å; K96-D100 WeakPolarHBondContact O-CB 3.4Å; K96-D100 PolarHBondContact O-N 2.86Å; I97-D100 PolarHBondContact O-N 3.15Å; S98-D100 PolarHBondContact O-N 2.9Å; D100-V104 WeakPolarHBondContact O-CB 3.37Å; D100-V104 WeakPolarHBondContact O-CG2 3.33Å; D100-V104 PolarHBondContact O-N 2.91Å
101L92.8Very high88Confident1 Ų133.4 Ų33.41%0.00520%0.204CC..Hα-helixtrans-66.7-53.2175.7-69.8171.8000112.1C45 A48 L52 I97 S98 S103 V104 L105 L126 L141C45-L101 HydrophobicContact CB-CB 4.41Å; A48-L101 HydrophobicContact CB-CD1 4.49Å; L52-L101 HydrophobicContact CD1-CD1 4.04Å; I97-L101 HydrophobicContact CG2-CD1 3.94Å; I97-L101 HydrophobicContact CG2-CG 4.27Å; I97-L101 WeakPolarHBondContact O-CB 3.48Å; I97-L101 VanDerWaalsContact O-CG 3.25Å; I97-L101 WeakPolarHBondContact O-CG 3.5Å; I97-L101 PolarHBondContact O-N 3.16Å; S98-L101 PolarHBondContact O-N 3.14Å; L101-S103 PolarHBondContact O-N 2.86Å; L101-V104 PolarHBondContact O-N 3.01Å; L101-L105 PolarHBondContact O-N 3.1Å; L101-L126 HydrophobicContact CD2-CB 3.58Å; L101-L126 HydrophobicContact CD2-CD1 3.79Å; L101-L126 HydrophobicContact CD2-CG 4.26Å; L101-L141 HydrophobicContact CD2-CD2 4.35Å
102E92.4Very high88.9Confident36 Ų3635.2 Ų35.217%0.16821%0.208CC..Hα-helixtrans-58.4-51.4-178.6-177.5177.4175.300110Q38 L41 H42 C45 S98 V104 L105 T106Q38-E102 PolarHBondContact NE2-OE1 3.37Å; L41-E102 HydrophobicContact CD2-CG 4.28Å; L41-E102 HydrophobicContact CG-CG 4.28Å; H42-E102 IonicContact CE1-OE2 3.54Å; H42-E102 IonicContact CG-OE2 2.96Å; H42-E102 IonicContact ND1-OE1 3.28Å; H42-E102 IonicContact ND1-OE2 2.72Å; H42-E102 PolarHBondContact ND1-OE2 3.47Å; C45-E102 HydrophobicContact CB-CB 4.44Å; S98-E102 WeakPolarHBondContact O-CB 3.45Å; S98-E102 PolarHBondContact O-N 3.11Å; E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 3.35Å; E102-L105 PolarHBondContact O-N 3.22Å; E102-T106 WeakPolarHBondContact O-CB 3.46Å; E102-T106 PolarHBondContact O-N 2.77Å; E102-T106 PolarHBondContact O-OG1 2.87Å
103S90.4Very high89.5Confident26 Ų2639.2 Ų39.218%0.18224%0.236CC..Hα-helixtrans-68.1-24.9-17962.50000114.1G99 L101 H107 R138G99-S103 WeakPolarHBondContact O-CB 3.31Å; G99-S103 PolarHBondContact O-N 2.81Å; G99-S103 VanDerWaalsContact O-N 3.11Å; G99-S103 PolarHBondContact O-OG 3.1Å; L101-S103 PolarHBondContact O-N 2.86Å; S103-H107 VanDerWaalsContact O-CB 3.24Å; S103-H107 WeakPolarHBondContact O-CB 3.34Å; S103-H107 PolarHBondContact O-N 2.87Å; S103-R138 WeakPolarHBondContact OG-CD 3.39Å; S103-R138 PolarHBondContact OG-NH1 2.98Å
104V92.1Very high89.8Confident0 Ų038.2 Ų38.20%023%0.226CC..Hα-helixtrans-67.4-49.7168.81630000111.4D100 L101 E102 F108 L126 R138 L141 Y142D100-V104 WeakPolarHBondContact O-CB 3.37Å; D100-V104 WeakPolarHBondContact O-CG2 3.33Å; D100-V104 PolarHBondContact O-N 2.91Å; L101-V104 PolarHBondContact O-N 3.01Å; E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 3.35Å; V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.46Å; V104-F108 PolarHBondContact O-N 2.95Å; V104-L126 HydrophobicContact CG1-CD1 4.04Å; V104-L126 HydrophobicContact CG1-CD2 4.06Å; V104-R138 HydrophobicContact CG2-CG 3.57Å; V104-L141 HydrophobicContact CG2-CD2 4.31Å; V104-L141 HydrophobicContact CG2-CG 4.37Å; V104-Y142 HydrophobicContact CG1-CD2 4.27Å
105L93.5Very high90Very high0 Ų043.5 Ų43.50%024%0.244CC..Hα-helixtrans-70.9-39.2-178.7-68.7-176000112.7L41 L101 E102 F108 A109 Y116 W122 V123 L126 F145L41-L105 HydrophobicContact CD1-CB 3.85Å; L41-L105 HydrophobicContact CD1-CD1 3.59Å; L41-L105 HydrophobicContact CD1-CG 4.35Å; L41-L105 HydrophobicContact CD2-CB 4.24Å; L101-L105 PolarHBondContact O-N 3.1Å; E102-L105 PolarHBondContact O-N 3.22Å; L105-F108 PolarHBondContact O-N 2.95Å; L105-A109 VanDerWaalsContact O-CB 3.29Å; L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 2.66Å; L105-Y116 HydrophobicContact CD1-CE2 4.28Å; L105-W122 HydrophobicContact CD1-CB 4.2Å; L105-W122 HydrophobicContact CD2-CB 3.84Å; L105-W122 HydrophobicContact CD2-CE3 4.24Å; L105-V123 HydrophobicContact CD1-CG2 3.56Å; L105-L126 HydrophobicContact CD1-CD1 3.86Å; L105-L126 HydrophobicContact CD2-CD1 3.51Å; L105-L126 HydrophobicContact CD2-CG 4.24Å; L105-L126 HydrophobicContact CG-CD1 3.44Å; L105-L126 VanDerWaalsContact CG-CD1 3.44Å; L105-F145 HydrophobicContact CD2-CD1 4.38Å; L105-F145 HydrophobicContact CD2-CE1 3.82Å; L105-F145 HydrophobicContact CD2-CE2 4.05Å; L105-F145 HydrophobicContact CD2-CZ 3.63Å
106T91.7Very high90.2Very high6 Ų639.8 Ų39.84%0.03721%0.211CC..Hα-helixtrans-63.1-47.8176.9-55.70000111.2F33 L35 Q38 L41 E102 F108 A109 Q110F33-T106 HydrophobicContact CB-CG2 3.37Å; F33-T106 HydrophobicContact CD2-CG2 4.44Å; F33-T106 HydrophobicContact CG-CG2 4.45Å; F33-T106 WeakPolarHBondContact O-CG2 3.45Å; L35-T106 HydrophobicContact CD1-CG2 4.39Å; L35-T106 HydrophobicContact CG-CG2 4.12Å; Q38-T106 PolarHBondContact NE2-OG1 3.46Å; L41-T106 VanDerWaalsContact CD2-OG1 3.23Å; L41-T106 WeakPolarHBondContact CD2-OG1 3.34Å; E102-T106 WeakPolarHBondContact O-CB 3.46Å; E102-T106 PolarHBondContact O-N 2.77Å; E102-T106 PolarHBondContact O-OG1 2.87Å; T106-F108 PolarHBondContact O-N 3.05Å; T106-A109 PolarHBondContact O-N 3.44Å; T106-Q110 PolarHBondContact O-N 3.04Å; T106-Q110 VanDerWaalsContact O-N 3.13Å
107H89.8Confident90.3Very high17 Ų1736.2 Ų36.28%0.07920%0.202CC..Hα-helixtrans-62.1-42.8174.9177.3-88.7000112M26 F29 S103 Q110 T111 Y142M26-H107 HydrophobicContact CE-CB 3.49Å; M26-H107 VanDerWaalsContact CE-CB 3.49Å; F29-H107 HydrophobicContact CD1-CB 4.3Å; F29-H107 AromaticContact CD1-CD2 3.73Å; F29-H107 AromaticContact CD2-CD2 3.5Å; F29-H107 VanDerWaalsContact CD2-CD2 3.5Å; F29-H107 WeakPolarHBondContact CD2-CD2 3.36Å; F29-H107 AromaticContact CD2-NE2 3.97Å; F29-H107 HydrophobicContact CE1-CB 3.99Å; F29-H107 AromaticContact CE1-CD2 3.81Å; F29-H107 AromaticContact CE2-CD2 3.6Å; F29-H107 AromaticContact CG-CD2 3.59Å; F29-H107 HydrophobicContact CZ-CB 4.41Å; F29-H107 AromaticContact CZ-CD2 3.76Å; S103-H107 VanDerWaalsContact O-CB 3.24Å; S103-H107 WeakPolarHBondContact O-CB 3.34Å; S103-H107 PolarHBondContact O-N 2.87Å; H107-Q110 PolarHBondContact O-N 2.85Å; H107-T111 PolarHBondContact CE1-OG1 3.26Å; H107-T111 PolarHBondContact ND1-OG1 3.34Å; H107-T111 VanDerWaalsContact O-CB 3.26Å; H107-T111 WeakPolarHBondContact O-CB 3.41Å; H107-T111 PolarHBondContact O-N 3.35Å; H107-T111 PolarHBondContact O-OG1 3.01Å; H107-Y142 AromaticContact CE1-CE2 3.97Å; H107-Y142 AromaticContact CE1-CZ 3.59Å; H107-Y142 PolarHBondContact CE1-OH 2.64Å; H107-Y142 AromaticContact ND1-CE2 3.23Å; H107-Y142 WeakPolarHBondContact ND1-CE2 3.42Å; H107-Y142 AromaticContact ND1-CZ 3.34Å; H107-Y142 VanDerWaalsContact ND1-CZ 3.34Å; H107-Y142 PolarHBondContact ND1-OH 3.16Å
108F91.4Very high90.3Very high0 Ų038.8 Ų38.80%022%0.22CC..Hα-helixtrans-60.1-50177.2176.7-93000112.2V104 L105 T106 Q110 T111 Y112 L114 W122 Y142 F145 V146 Y149V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.46Å; V104-F108 PolarHBondContact O-N 2.95Å; L105-F108 PolarHBondContact O-N 2.95Å; T106-F108 PolarHBondContact O-N 3.05Å; F108-Q110 VanDerWaalsContact C-N 3.34Å; F108-Q110 PolarHBondContact O-N 3.47Å; F108-T111 PolarHBondContact O-N 3.19Å; F108-Y112 AromaticContact CD2-CD2 3.63Å; F108-Y112 HydrophobicContact CD2-CD2 3.63Å; F108-Y112 AromaticContact CD2-CE2 3.65Å; F108-Y112 HydrophobicContact CD2-CE2 3.65Å; F108-Y112 HydrophobicContact CE1-CD2 4.46Å; F108-Y112 AromaticContact CE2-CD2 3.41Å; F108-Y112 HydrophobicContact CE2-CD2 3.41Å; F108-Y112 VanDerWaalsContact CE2-CD2 3.41Å; F108-Y112 AromaticContact CE2-CE2 3.47Å; F108-Y112 HydrophobicContact CE2-CE2 3.47Å; F108-Y112 VanDerWaalsContact CE2-CE2 3.47Å; F108-Y112 HydrophobicContact CE2-CG 4.48Å; F108-Y112 HydrophobicContact CG-CD2 4.24Å; F108-Y112 AromaticContact CZ-CD2 3.85Å; F108-Y112 HydrophobicContact CZ-CD2 3.85Å; F108-Y112 HydrophobicContact CZ-CE2 4.33Å; F108-Y112 WeakPolarHBondContact O-CD2 3.22Å; F108-Y112 PolarHBondContact O-N 3.07Å; F108-Y112 VanDerWaalsContact O-N 3.15Å; F108-L114 HydrophobicContact CD1-CD1 4.5Å; F108-L114 HydrophobicContact CE1-CD1 3.6Å; F108-L114 HydrophobicContact CZ-CD1 3.99Å; F108-W122 HydrophobicContact CD1-CE3 4.43Å; F108-W122 HydrophobicContact CD1-CH2 4.36Å; F108-W122 HydrophobicContact CD1-CZ3 4.16Å; F108-W122 HydrophobicContact CE1-CH2 4.14Å; F108-W122 HydrophobicContact CE1-CZ2 4.19Å; F108-W122 HydrophobicContact CE1-CZ3 4.36Å; F108-Y142 HydrophobicContact CB-CE2 4.07Å; F108-Y142 HydrophobicContact CD2-CE2 4.41Å; F108-F145 HydrophobicContact CB-CE1 4.39Å; F108-F145 HydrophobicContact CD1-CD1 4.48Å; F108-F145 AromaticContact CD1-CE1 3.67Å; F108-F145 HydrophobicContact CD1-CE1 3.67Å; F108-F145 AromaticContact CD2-CD1 3.89Å; F108-F145 HydrophobicContact CD2-CD1 3.89Å; F108-F145 AromaticContact CD2-CE1 3.83Å; F108-F145 HydrophobicContact CD2-CE1 3.83Å; F108-F145 AromaticContact CE1-CE1 3.83Å; F108-F145 HydrophobicContact CE1-CE1 3.83Å; F108-F145 HydrophobicContact CE2-CD1 4.22Å; F108-F145 AromaticContact CE2-CE1 4Å; F108-F145 HydrophobicContact CE2-CE1 4Å; F108-F145 HydrophobicContact CG-CD1 4.05Å; F108-F145 AromaticContact CG-CE1 3.68Å; F108-F145 HydrophobicContact CG-CE1 3.68Å; F108-F145 HydrophobicContact CZ-CE1 4.01Å; F108-V146 HydrophobicContact CD2-CG2 3.89Å; F108-V146 HydrophobicContact CE2-CG2 4.19Å; F108-Y149 AromaticContact CE1-CD2 3.99Å; F108-Y149 HydrophobicContact CE1-CD2 3.99Å; F108-Y149 AromaticContact CE1-CE2 3.94Å; F108-Y149 HydrophobicContact CE1-CE2 3.94Å; F108-Y149 HydrophobicContact CE1-CG 4.35Å; F108-Y149 HydrophobicContact CE2-CD1 4.2Å; F108-Y149 HydrophobicContact CE2-CD2 4.5Å; F108-Y149 HydrophobicContact CE2-CG 4.08Å; F108-Y149 AromaticContact CZ-CD1 3.58Å; F108-Y149 HydrophobicContact CZ-CD1 3.58Å; F108-Y149 AromaticContact CZ-CD2 3.56Å; F108-Y149 HydrophobicContact CZ-CD2 3.56Å; F108-Y149 AromaticContact CZ-CE1 3.8Å; F108-Y149 HydrophobicContact CZ-CE1 3.8Å; F108-Y149 AromaticContact CZ-CE2 3.77Å; F108-Y149 HydrophobicContact CZ-CE2 3.77Å; F108-Y149 AromaticContact CZ-CG 3.46Å; F108-Y149 HydrophobicContact CZ-CG 3.46Å; F108-Y149 VanDerWaalsContact CZ-CG 3.46Å; F108-Y149 AromaticContact CZ-CZ 3.9Å
109A91.4Very high90.1Very high1 Ų142.1 Ų42.11%0.00824%0.243CC..Hα-helixtrans-58-45.1179.900000111.6L35 L105 T106 C113 L114 W122L35-A109 HydrophobicContact CD1-CB 3.8Å; L35-A109 HydrophobicContact CD2-CB 4Å; L105-A109 VanDerWaalsContact O-CB 3.29Å; L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 2.66Å; T106-A109 PolarHBondContact O-N 3.44Å; A109-C113 CarbonylContact O-C 3.58Å; A109-C113 WeakPolarHBondContact O-CA 3.3Å; A109-C113 PolarHBondContact O-N 3.02Å; A109-L114 PolarHBondContact O-N 2.88Å; A109-W122 HydrophobicContact CB-CZ3 4.28Å
110Q88.7Confident90.1Very high75 Ų7542.3 Ų42.335%0.3524%0.236SC..Hα-helixtrans-68-44175.4-67.1-1473.400112.9F33 L35 T106 H107 F108 Y112 C113F33-Q110 HydrophobicContact CB-CG 4.49Å; F33-Q110 HydrophobicContact CD2-CB 3.99Å; F33-Q110 VanDerWaalsContact CD2-CD 3.45Å; F33-Q110 HydrophobicContact CD2-CG 3.8Å; F33-Q110 HydrophobicContact CE2-CB 3.97Å; F33-Q110 HydrophobicContact CE2-CG 4.25Å; F33-Q110 VanDerWaalsContact CG-CD 3.47Å; F33-Q110 HydrophobicContact CG-CG 4.26Å; L35-Q110 HydrophobicContact CD2-CG 3.85Å; T106-Q110 PolarHBondContact O-N 3.04Å; T106-Q110 VanDerWaalsContact O-N 3.13Å; H107-Q110 PolarHBondContact O-N 2.85Å; F108-Q110 VanDerWaalsContact C-N 3.34Å; F108-Q110 PolarHBondContact O-N 3.47Å; Q110-Y112 PolarHBondContact O-N 3.38Å; Q110-C113 PolarHBondContact O-N 2.79Å; Q110-C113 VanDerWaalsContact O-N 3.17Å
111T88.1Confident90.2Very high65 Ų6541 Ų4140%0.39923%0.229SC..Hα-helixtrans-56.8-36.2-178.8-63.70000112.9H107 F108H107-T111 PolarHBondContact CE1-OG1 3.26Å; H107-T111 PolarHBondContact ND1-OG1 3.34Å; H107-T111 VanDerWaalsContact O-CB 3.26Å; H107-T111 WeakPolarHBondContact O-CB 3.41Å; H107-T111 PolarHBondContact O-N 3.35Å; H107-T111 PolarHBondContact O-OG1 3.01Å; F108-T111 PolarHBondContact O-N 3.19Å
112Y87.4Confident90.3Very high89 Ų8941.3 Ų41.335%0.34923%0.231SC..THydrogen-bonded Turntrans-1077.4-178.3-63.5-72.7000114F108 Q110 L114 V146 H150F108-Y112 AromaticContact CD2-CD2 3.63Å; F108-Y112 HydrophobicContact CD2-CD2 3.63Å; F108-Y112 AromaticContact CD2-CE2 3.65Å; F108-Y112 HydrophobicContact CD2-CE2 3.65Å; F108-Y112 HydrophobicContact CE1-CD2 4.46Å; F108-Y112 AromaticContact CE2-CD2 3.41Å; F108-Y112 HydrophobicContact CE2-CD2 3.41Å; F108-Y112 VanDerWaalsContact CE2-CD2 3.41Å; F108-Y112 AromaticContact CE2-CE2 3.47Å; F108-Y112 HydrophobicContact CE2-CE2 3.47Å; F108-Y112 VanDerWaalsContact CE2-CE2 3.47Å; F108-Y112 HydrophobicContact CE2-CG 4.48Å; F108-Y112 HydrophobicContact CG-CD2 4.24Å; F108-Y112 AromaticContact CZ-CD2 3.85Å; F108-Y112 HydrophobicContact CZ-CD2 3.85Å; F108-Y112 HydrophobicContact CZ-CE2 4.33Å; F108-Y112 WeakPolarHBondContact O-CD2 3.22Å; F108-Y112 PolarHBondContact O-N 3.07Å; F108-Y112 VanDerWaalsContact O-N 3.15Å; Q110-Y112 PolarHBondContact O-N 3.38Å; Y112-L114 VanDerWaalsContact C-N 3.29Å; Y112-L114 PolarHBondContact O-N 3Å; Y112-V146 HydrophobicContact CE2-CG2 4.48Å; Y112-H150 AromaticContact CD1-CE1 3.99Å; Y112-H150 AromaticContact CE1-CE1 3.56Å; Y112-H150 AromaticContact CE1-NE2 3.42Å; Y112-H150 WeakPolarHBondContact CE1-NE2 3.39Å; Y112-H150 AromaticContact CE2-NE2 3.7Å; Y112-H150 AromaticContact CZ-CE1 3.81Å; Y112-H150 AromaticContact CZ-NE2 3.16Å; Y112-H150 PolarHBondContact OH-NE2 3.25Å
113C86.5Confident90.4Very high123 Ų12340.2 Ų40.283%0.83123%0.226SC*.THydrogen-bonded Turntrans5340.6-176.7-60.90000113.9A109 Q110A109-C113 CarbonylContact O-C 3.58Å; A109-C113 WeakPolarHBondContact O-CA 3.3Å; A109-C113 PolarHBondContact O-N 3.02Å; Q110-C113 PolarHBondContact O-N 2.79Å; Q110-C113 VanDerWaalsContact O-N 3.17Å
114L87.8Confident90.6Very high53 Ų5340.2 Ų40.228%0.27723%0.226SC..PPolyproline II helixtrans-100.5148.3-177.9-58.1172.5000111.2F108 A109 Y112 W122 Y149F108-L114 HydrophobicContact CD1-CD1 4.5Å; F108-L114 HydrophobicContact CE1-CD1 3.6Å; F108-L114 HydrophobicContact CZ-CD1 3.99Å; A109-L114 PolarHBondContact O-N 2.88Å; Y112-L114 VanDerWaalsContact C-N 3.29Å; Y112-L114 PolarHBondContact O-N 3Å; L114-W122 HydrophobicContact CB-CH2 3.86Å; L114-W122 HydrophobicContact CD1-CH2 4.2Å; L114-W122 HydrophobicContact CD1-CZ2 4.25Å; L114-Y149 HydrophobicContact CD1-CE1 4.34Å; L114-Y149 HydrophobicContact CD1-CE2 4.43Å; L114-Y149 VanDerWaalsContact CD1-OH 3.31Å; L114-Y149 WeakPolarHBondContact CD1-OH 3.36Å
115K89.3Confident90.7Very high137 Ų13740.2 Ų40.260%0.59623%0.226SC*.PPolyproline II helixtrans-87.1135.6171.6-66.8-158.5177.2-156.30111E36 N120E36-K115 IonicContact OE1-NZ 3.22Å; E36-K115 PolarHBondContact OE1-NZ 2.91Å; E36-K115 WeakPolarHBondContact OE2-CD 3.47Å; E36-K115 WeakPolarHBondContact OE2-CE 3.37Å; E36-K115 IonicContact OE2-NZ 2.85Å; E36-K115 PolarHBondContact OE2-NZ 3.19Å; K115-N120 PolarHBondContact O-ND2 2.81Å
116Y91.5Very high90.8Very high8 Ų840.2 Ų40.23%0.03123%0.226CC..PPolyproline II helixtrans-76.7140.5169.3-177.1-100.7000111.4N37 L41 D44 L105 W122 V123N37-Y116 PolarHBondContact ND2-O 2.99Å; L41-Y116 HydrophobicContact CB-CD1 3.75Å; L41-Y116 HydrophobicContact CB-CE1 3.85Å; L41-Y116 HydrophobicContact CB-CG 4.24Å; L41-Y116 HydrophobicContact CD1-CD1 4.35Å; L41-Y116 HydrophobicContact CD1-CD2 3.98Å; L41-Y116 HydrophobicContact CD1-CE1 4.12Å; L41-Y116 HydrophobicContact CD1-CE2 3.72Å; L41-Y116 HydrophobicContact CD1-CG 4.29Å; D44-Y116 WeakPolarHBondContact OD2-CE1 3.46Å; D44-Y116 PolarHBondContact OD2-OH 3.31Å; L105-Y116 HydrophobicContact CD1-CE2 4.28Å; Y116-W122 AromaticContact CD2-CE3 3.71Å; Y116-W122 HydrophobicContact CD2-CE3 3.71Å; Y116-W122 HydrophobicContact CD2-CZ3 4.01Å; Y116-W122 HydrophobicContact CE2-CE3 4.23Å; Y116-V123 HydrophobicContact CE2-CG2 4.39Å; Y116-V123 WeakPolarHBondContact OH-CG2 3.29Å
117S90.3Very high90.9Very high47 Ų4741.1 Ų41.133%0.32923%0.23SC..  trans-154.3141.6166.7177.90000108S119 N120S117-S119 WeakPolarHBondContact CB-OG 3.26Å; S117-S119 PolarHBondContact O-N 3.23Å; S117-S119 VanDerWaalsContact O-N 3.17Å; S117-S119 PolarHBondContact OG-OG 2.92Å; S117-N120 VanDerWaalsContact O-CB 3.23Å; S117-N120 WeakPolarHBondContact O-CB 3.48Å; S117-N120 VanDerWaalsContact O-CG 3.29Å; S117-N120 PolarHBondContact O-N 2.9Å
118S89.1Confident91.1Very high55 Ų5540.6 Ų40.639%0.38523%0.228SC..G310 helixtrans-57.4-30.6177.9-38.10000112Q40 D44 N120 G121Q40-S118 VanDerWaalsContact CG-OG 3.26Å; Q40-S118 WeakPolarHBondContact CG-OG 3.47Å; D44-S118 PolarHBondContact OD1-OG 3.46Å; D44-S118 VanDerWaalsContact OD2-CB 3.22Å; D44-S118 WeakPolarHBondContact OD2-CB 3.39Å; D44-S118 PolarHBondContact OD2-OG 3.47Å; S118-N120 PolarHBondContact O-N 2.82Å; S118-G121 PolarHBondContact O-N 3.48Å
119S87.7Confident91.2Very high78 Ų7840.6 Ų40.655%0.54523%0.228SC..G310 helixtrans-59.3-14.9173.260.50000115.1S117 G121 S198S117-S119 WeakPolarHBondContact CB-OG 3.26Å; S117-S119 PolarHBondContact O-N 3.23Å; S117-S119 VanDerWaalsContact O-N 3.17Å; S117-S119 PolarHBondContact OG-OG 2.92Å; S119-G121 VanDerWaalsContact C-N 3.32Å; S119-S198 WeakPolarHBondContact O-CB 3.33Å; S119-S198 PolarHBondContact O-OG 3.05Å
120N89.1Confident91.3Very high40 Ų4041.5 Ų41.521%0.21423%0.232CC..G310 helixtrans-83.6-7.6-177.1-59.11000112.6K115 S117 S118 W122K115-N120 PolarHBondContact O-ND2 2.81Å; S117-N120 VanDerWaalsContact O-CB 3.23Å; S117-N120 WeakPolarHBondContact O-CB 3.48Å; S117-N120 VanDerWaalsContact O-CG 3.29Å; S117-N120 PolarHBondContact O-N 2.9Å; S118-N120 PolarHBondContact O-N 2.82Å; N120-W122 HydrophobicContact CB-CD2 4.16Å; N120-W122 HydrophobicContact CB-CG 4.11Å; N120-W122 HydrophobicContact CB-CZ2 4.39Å; N120-W122 PolarHBondContact O-N 3.17Å; N120-W122 VanDerWaalsContact O-N 3.13Å
121G92.3Very high91.4Very high3 Ų338.8 Ų38.83%0.03122%0.219CC..  trans69.65.4175.700000115.8S118 S119 V123 S124 I125S118-G121 PolarHBondContact O-N 3.48Å; S119-G121 VanDerWaalsContact C-N 3.32Å; G121-V123 PolarHBondContact O-N 3.36Å; G121-S124 PolarHBondContact O-N 3.35Å; G121-I125 WeakPolarHBondContact O-CG1 3.24Å; G121-I125 PolarHBondContact O-N 2.98Å
122W95.1Very high91.6Very high9 Ų936.4 Ų36.43%0.03420%0.204CC..Hα-helixtrans-64.1-38.3-171.3-64.9-5.3000113.6L105 F108 A109 L114 Y116 N120 I125 L126 F145 Y149L105-W122 HydrophobicContact CD1-CB 4.2Å; L105-W122 HydrophobicContact CD2-CB 3.84Å; L105-W122 HydrophobicContact CD2-CE3 4.24Å; F108-W122 HydrophobicContact CD1-CE3 4.43Å; F108-W122 HydrophobicContact CD1-CH2 4.36Å; F108-W122 HydrophobicContact CD1-CZ3 4.16Å; F108-W122 HydrophobicContact CE1-CH2 4.14Å; F108-W122 HydrophobicContact CE1-CZ2 4.19Å; F108-W122 HydrophobicContact CE1-CZ3 4.36Å; A109-W122 HydrophobicContact CB-CZ3 4.28Å; L114-W122 HydrophobicContact CB-CH2 3.86Å; L114-W122 HydrophobicContact CD1-CH2 4.2Å; L114-W122 HydrophobicContact CD1-CZ2 4.25Å; Y116-W122 AromaticContact CD2-CE3 3.71Å; Y116-W122 HydrophobicContact CD2-CE3 3.71Å; Y116-W122 HydrophobicContact CD2-CZ3 4.01Å; Y116-W122 HydrophobicContact CE2-CE3 4.23Å; N120-W122 HydrophobicContact CB-CD2 4.16Å; N120-W122 HydrophobicContact CB-CG 4.11Å; N120-W122 HydrophobicContact CB-CZ2 4.39Å; N120-W122 PolarHBondContact O-N 3.17Å; N120-W122 VanDerWaalsContact O-N 3.13Å; W122-I125 PolarHBondContact O-N 3.22Å; W122-L126 PolarHBondContact O-N 3.37Å; W122-F145 HydrophobicContact CB-CE2 4.08Å; W122-F145 HydrophobicContact CB-CZ 3.79Å; W122-F145 HydrophobicContact CD2-CZ 4.2Å; W122-F145 HydrophobicContact CG-CE2 4.42Å; W122-F145 AromaticContact CG-CZ 3.76Å; W122-F145 HydrophobicContact CG-CZ 3.76Å; W122-Y149 HydrophobicContact CZ2-CE2 4.14Å; W122-Y149 AromaticContact NE1-CE2 3.78Å
123V94.7Very high91.7Very high13 Ų1332.3 Ų32.38%0.07919%0.189CC..Hα-helixtrans-65.3-44.7176.3174.50000110.4D44 A48 L105 Y116 G121 I125 L126 K127D44-V123 HydrophobicContact CB-CG2 4.02Å; A48-V123 HydrophobicContact CB-CG1 3.42Å; A48-V123 VanDerWaalsContact CB-CG1 3.42Å; L105-V123 HydrophobicContact CD1-CG2 3.56Å; Y116-V123 HydrophobicContact CE2-CG2 4.39Å; Y116-V123 WeakPolarHBondContact OH-CG2 3.29Å; G121-V123 PolarHBondContact O-N 3.36Å; V123-I125 VanDerWaalsContact C-N 3.34Å; V123-I125 PolarHBondContact O-N 3.35Å; V123-L126 CarbonylContact O-C 3.59Å; V123-L126 PolarHBondContact O-N 3.37Å; V123-L126 VanDerWaalsContact O-N 3.16Å; V123-K127 PolarHBondContact O-N 2.98Å
124S94Very high91.8Very high25 Ų2530.7 Ų30.718%0.17517%0.168CC..Hα-helixtrans-62.7-38.8176.3-43.30000112.5G121 K127 V128 D203G121-S124 PolarHBondContact O-N 3.35Å; S124-K127 WeakPolarHBondContact O-CB 3.27Å; S124-K127 PolarHBondContact O-N 3.17Å; S124-V128 PolarHBondContact O-N 2.93Å; S124-V128 VanDerWaalsContact O-N 3.13Å; S124-D203 WeakPolarHBondContact CB-OD1 3.33Å; S124-D203 PolarHBondContact OG-OD1 3.29Å
125I95.5Very high91.7Very high1 Ų129.3 Ų29.31%0.00516%0.162CC..Hα-helixtrans-61.3-47.2172.4-72.2160.7000110.6G121 W122 V123 K127 V128 L129 F145 F148 V153 S198 W214G121-I125 WeakPolarHBondContact O-CG1 3.24Å; G121-I125 PolarHBondContact O-N 2.98Å; W122-I125 PolarHBondContact O-N 3.22Å; V123-I125 VanDerWaalsContact C-N 3.34Å; V123-I125 PolarHBondContact O-N 3.35Å; I125-K127 PolarHBondContact O-N 3.39Å; I125-V128 PolarHBondContact O-N 3.42Å; I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 WeakPolarHBondContact O-CG 3.3Å; I125-L129 PolarHBondContact O-N 3.03Å; I125-F145 HydrophobicContact CB-CE2 4.22Å; I125-F145 HydrophobicContact CG2-CD2 3.82Å; I125-F145 HydrophobicContact CG2-CE2 3.79Å; I125-F148 HydrophobicContact CB-CE1 4.39Å; I125-F148 HydrophobicContact CD1-CD1 4.23Å; I125-F148 HydrophobicContact CD1-CE1 3.57Å; I125-F148 HydrophobicContact CD1-CZ 4.34Å; I125-F148 HydrophobicContact CG1-CD1 4.49Å; I125-F148 HydrophobicContact CG1-CE1 3.77Å; I125-F148 HydrophobicContact CG1-CZ 4.11Å; I125-F148 HydrophobicContact CG2-CD1 3.59Å; I125-F148 HydrophobicContact CG2-CE1 3.67Å; I125-F148 HydrophobicContact CG2-CG 4.04Å; I125-F148 HydrophobicContact CG2-CZ 4.15Å; I125-V153 HydrophobicContact CD1-CG2 4.37Å; I125-S198 VanDerWaalsContact CD1-O 3.32Å; I125-S198 WeakPolarHBondContact CD1-O 3.39Å; I125-W214 HydrophobicContact CB-CH2 4.28Å; I125-W214 HydrophobicContact CG1-CH2 4.22Å; I125-W214 HydrophobicContact CG1-CZ2 4.42Å; I125-W214 HydrophobicContact CG2-CH2 4.07Å
126L94.8Very high91.4Very high0 Ų028.8 Ų28.80%017%0.17CC..Hα-helixtrans-63.7-38.2176-75.8-179.8000112.6L101 V104 L105 W122 V123 V128 L129 F130 L141 F145L101-L126 HydrophobicContact CD2-CB 3.58Å; L101-L126 HydrophobicContact CD2-CD1 3.79Å; L101-L126 HydrophobicContact CD2-CG 4.26Å; V104-L126 HydrophobicContact CG1-CD1 4.04Å; V104-L126 HydrophobicContact CG1-CD2 4.06Å; L105-L126 HydrophobicContact CD1-CD1 3.86Å; L105-L126 HydrophobicContact CD2-CD1 3.51Å; L105-L126 HydrophobicContact CD2-CG 4.24Å; L105-L126 HydrophobicContact CG-CD1 3.44Å; L105-L126 VanDerWaalsContact CG-CD1 3.44Å; W122-L126 PolarHBondContact O-N 3.37Å; V123-L126 CarbonylContact O-C 3.59Å; V123-L126 PolarHBondContact O-N 3.37Å; V123-L126 VanDerWaalsContact O-N 3.16Å; L126-V128 PolarHBondContact O-N 3.26Å; L126-L129 PolarHBondContact O-N 3.43Å; L126-F130 VanDerWaalsContact O-CB 3.27Å; L126-F130 WeakPolarHBondContact O-CB 3.24Å; L126-F130 PolarHBondContact O-N 3.14Å; L126-L141 HydrophobicContact CD2-CD1 3.72Å; L126-L141 HydrophobicContact CD2-CD2 4.5Å; L126-L141 HydrophobicContact CD2-CG 3.95Å; L126-F145 HydrophobicContact CD2-CB 3.66Å; L126-F145 HydrophobicContact CD2-CD2 3.48Å; L126-F145 VanDerWaalsContact CD2-CD2 3.48Å; L126-F145 HydrophobicContact CD2-CE2 4.37Å; L126-F145 HydrophobicContact CD2-CG 3.74Å; L126-F145 HydrophobicContact CG-CD2 3.68Å; L126-F145 HydrophobicContact CG-CE2 4.09Å; L126-F145 HydrophobicContact CG-CG 4.31Å
127K93.7Very high91.1Very high25 Ų2530.9 Ų30.911%0.10919%0.186CC..Hα-helixtrans-55.3-52.5175.2-178.7173.363.8153.10110.6E51 L52 V123 S124 I125 L129 F130 I131 E207E51-K127 IonicContact OE1-NZ 3.63Å; E51-K127 PolarHBondContact OE1-NZ 2.89Å; E51-K127 WeakPolarHBondContact OE2-CD 3.44Å; E51-K127 WeakPolarHBondContact OE2-CE 3.48Å; E51-K127 IonicContact OE2-NZ 2.65Å; E51-K127 PolarHBondContact OE2-NZ 3.29Å; L52-K127 HydrophobicContact CD1-CG 4.49Å; L52-K127 HydrophobicContact CD2-CG 3.88Å; L52-K127 HydrophobicContact CG-CG 4.06Å; V123-K127 PolarHBondContact O-N 2.98Å; S124-K127 WeakPolarHBondContact O-CB 3.27Å; S124-K127 PolarHBondContact O-N 3.17Å; I125-K127 PolarHBondContact O-N 3.39Å; K127-L129 PolarHBondContact O-N 3.32Å; K127-F130 PolarHBondContact O-N 3.35Å; K127-I131 HydrophobicContact CG-CD1 3.84Å; K127-I131 WeakPolarHBondContact O-CD1 3.1Å; K127-I131 VanDerWaalsContact O-CG1 3.26Å; K127-I131 WeakPolarHBondContact O-CG1 3.28Å; K127-I131 PolarHBondContact O-N 3.12Å; K127-E207 WeakPolarHBondContact CE-OE1 3.4Å; K127-E207 IonicContact NZ-OE1 2.91Å; K127-E207 PolarHBondContact NZ-OE1 3.44Å
128V94.3Very high91Very high6 Ų631.8 Ų31.84%0.03618%0.182CC..Hα-helixtrans-63-43.7178.2178.20000111.9W13 S124 I125 L126 F130 I131 V132 A202 I210 W214W13-V128 HydrophobicContact CH2-CG1 3.88Å; W13-V128 HydrophobicContact CZ3-CG1 4.2Å; S124-V128 PolarHBondContact O-N 2.93Å; S124-V128 VanDerWaalsContact O-N 3.13Å; I125-V128 PolarHBondContact O-N 3.42Å; L126-V128 PolarHBondContact O-N 3.26Å; V128-F130 PolarHBondContact O-N 3.21Å; V128-I131 PolarHBondContact O-N 2.7Å; V128-V132 WeakPolarHBondContact O-CG2 3.44Å; V128-V132 PolarHBondContact O-N 3.15Å; V128-V132 VanDerWaalsContact O-N 3.12Å; V128-A202 HydrophobicContact CG2-CB 3.97Å; V128-I210 HydrophobicContact CG1-CG2 4.38Å; V128-I210 HydrophobicContact CG2-CG1 4.22Å; V128-I210 HydrophobicContact CG2-CG2 3.98Å; V128-W214 HydrophobicContact CB-CE3 4.43Å; V128-W214 HydrophobicContact CB-CH2 3.84Å; V128-W214 HydrophobicContact CB-CZ2 4.39Å; V128-W214 HydrophobicContact CB-CZ3 3.87Å; V128-W214 HydrophobicContact CG1-CD2 4.05Å; V128-W214 HydrophobicContact CG1-CE3 3.62Å; V128-W214 HydrophobicContact CG1-CH2 3.92Å; V128-W214 HydrophobicContact CG1-CZ2 4.34Å; V128-W214 HydrophobicContact CG1-CZ3 3.55Å; V128-W214 HydrophobicContact CG2-CH2 4.48Å
129L94.1Very high90.9Very high0 Ų031.1 Ų31.10%018%0.177CC..Hα-helixtrans-61.8-40.9176.4-70.7173.8000112.3W13 L17 I125 L126 K127 L133 L141 F145 F148 W214W13-L129 HydrophobicContact CE3-CD2 4.34Å; W13-L129 HydrophobicContact CZ3-CD2 4.26Å; L17-L129 HydrophobicContact CD1-CD2 4.21Å; I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 WeakPolarHBondContact O-CG 3.3Å; I125-L129 PolarHBondContact O-N 3.03Å; L126-L129 PolarHBondContact O-N 3.43Å; K127-L129 PolarHBondContact O-N 3.32Å; L129-L133 HydrophobicContact CB-CD1 4.43Å; L129-L133 HydrophobicContact CD2-CD1 4.06Å; L129-L133 VanDerWaalsContact O-CB 3.24Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.32Å; L129-L141 HydrophobicContact CB-CD1 4.44Å; L129-F145 HydrophobicContact CD1-CB 4.36Å; L129-F145 HydrophobicContact CD1-CD2 4.43Å; L129-F148 HydrophobicContact CD1-CB 4.42Å; L129-W214 HydrophobicContact CD2-CZ3 4.04Å; L129-W214 HydrophobicContact CG-CZ3 4.11Å
130F93.3Very high90.9Very high20 Ų2028.2 Ų28.29%0.08816%0.155CC..Hα-helixtrans-66.2-45.4-179.8-164.7-81.6000111.6L52 L56 I97 L126 K127 V128 V132 K134 P135 L141L52-F130 HydrophobicContact CD1-CD1 4.39Å; L52-F130 HydrophobicContact CD1-CG 4.44Å; L52-F130 HydrophobicContact CD2-CB 4.37Å; L52-F130 HydrophobicContact CD2-CD1 4.07Å; L56-F130 HydrophobicContact CD1-CD1 4.47Å; L56-F130 HydrophobicContact CD1-CE1 3.97Å; I97-F130 HydrophobicContact CD1-CE1 4.33Å; I97-F130 HydrophobicContact CD1-CZ 4.42Å; I97-F130 HydrophobicContact CG1-CE1 4.48Å; I97-F130 HydrophobicContact CG1-CZ 4.08Å; I97-F130 HydrophobicContact CG2-CE1 4.41Å; I97-F130 HydrophobicContact CG2-CE2 4.25Å; I97-F130 HydrophobicContact CG2-CZ 4.12Å; L126-F130 VanDerWaalsContact O-CB 3.27Å; L126-F130 WeakPolarHBondContact O-CB 3.24Å; L126-F130 PolarHBondContact O-N 3.14Å; K127-F130 PolarHBondContact O-N 3.35Å; V128-F130 PolarHBondContact O-N 3.21Å; F130-V132 PolarHBondContact O-N 3.26Å; F130-K134 WeakPolarHBondContact O-CA 3.41Å; F130-K134 PolarHBondContact O-N 3.41Å; F130-K134 VanDerWaalsContact O-N 3.07Å; F130-P135 HydrophobicContact CD2-CG 3.9Å; F130-P135 HydrophobicContact CE2-CG 4.11Å; F130-L141 HydrophobicContact CD2-CD2 4Å
131I90.9Very high91.1Very high17 Ų1726.4 Ų26.49%0.08715%0.145CC..Hα-helixtrans-62.2-43.4178.7-66.2164.4000111.2L52 K127 V128 K134L52-I131 HydrophobicContact CD2-CD1 3.75Å; L52-I131 HydrophobicContact CD2-CG1 3.35Å; K127-I131 HydrophobicContact CG-CD1 3.84Å; K127-I131 WeakPolarHBondContact O-CD1 3.1Å; K127-I131 VanDerWaalsContact O-CG1 3.26Å; K127-I131 WeakPolarHBondContact O-CG1 3.28Å; K127-I131 PolarHBondContact O-N 3.12Å; V128-I131 PolarHBondContact O-N 2.7Å; I131-K134 WeakPolarHBondContact O-CE 3.46Å; I131-K134 WeakPolarHBondContact O-CG 3.26Å
132V91.5Very high91.1Very high15 Ų1527 Ų279%0.09115%0.147CC..Hα-helixtrans-85.9-45.3-173.2178.80000112.6R9 P10 W13 V128 F130 P211R9-V132 HydrophobicContact CB-CG1 4.49Å; R9-V132 HydrophobicContact CG-CG1 3.64Å; P10-V132 WeakPolarHBondContact CG-O 3.39Å; W13-V132 HydrophobicContact CD2-CB 4.44Å; W13-V132 HydrophobicContact CD2-CG1 3.65Å; W13-V132 HydrophobicContact CE3-CB 3.78Å; W13-V132 HydrophobicContact CE3-CG1 3.48Å; W13-V132 VanDerWaalsContact CE3-CG1 3.48Å; W13-V132 HydrophobicContact CE3-CG2 4.49Å; W13-V132 HydrophobicContact CG-CG1 4.4Å; W13-V132 HydrophobicContact CH2-CB 3.9Å; W13-V132 HydrophobicContact CH2-CG1 3.91Å; W13-V132 HydrophobicContact CH2-CG2 3.68Å; W13-V132 HydrophobicContact CZ2-CG1 4.03Å; W13-V132 HydrophobicContact CZ2-CG2 4.32Å; W13-V132 HydrophobicContact CZ3-CB 3.49Å; W13-V132 VanDerWaalsContact CZ3-CB 3.49Å; W13-V132 HydrophobicContact CZ3-CG1 3.63Å; W13-V132 HydrophobicContact CZ3-CG2 3.77Å; V128-V132 WeakPolarHBondContact O-CG2 3.44Å; V128-V132 PolarHBondContact O-N 3.15Å; V128-V132 VanDerWaalsContact O-N 3.12Å; F130-V132 PolarHBondContact O-N 3.26Å; V132-P211 HydrophobicContact CG2-CB 4Å; V132-P211 HydrophobicContact CG2-CG 4.14Å
133L90.2Very high90.9Very high4 Ų427.5 Ų27.52%0.02115%0.153CC..Hα-helixtrans-78.8-29.5-177.1-62.9174.3000112.8P10 W13 R14 L129 S144P10-L133 WeakPolarHBondContact O-CD2 3.46Å; W13-L133 HydrophobicContact CB-CD2 3.63Å; W13-L133 HydrophobicContact CE3-CD2 4.33Å; W13-L133 HydrophobicContact CE3-CG 4.36Å; R14-L133 HydrophobicContact CG-CD2 4.17Å; R14-L133 PolarHBondContact NH2-O 3.06Å; L129-L133 HydrophobicContact CB-CD1 4.43Å; L129-L133 HydrophobicContact CD2-CD1 4.06Å; L129-L133 VanDerWaalsContact O-CB 3.24Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.32Å; L133-S144 VanDerWaalsContact CD1-OG 3.26Å; L133-S144 WeakPolarHBondContact CD1-OG 3.2Å
134K88.1Confident90.8Very high89 Ų8926.9 Ų26.939%0.38715%0.15SC..  trans48.363.5-172.6-54.7-159.5176.2-158.10111E59 F130 I131E59-K134 IonicContact OE1-NZ 3.86Å; E59-K134 PolarHBondContact OE1-NZ 3.31Å; E59-K134 IonicContact OE2-NZ 3.53Å; E59-K134 PolarHBondContact OE2-NZ 3.37Å; F130-K134 WeakPolarHBondContact O-CA 3.41Å; F130-K134 PolarHBondContact O-N 3.41Å; F130-K134 VanDerWaalsContact O-N 3.07Å; I131-K134 WeakPolarHBondContact O-CE 3.46Å; I131-K134 WeakPolarHBondContact O-CG 3.26Å
135P86.1Confident90.8Very high24 Ų2425.7 Ų25.716%0.15614%0.141CC..  trans-62.6136.6-164.426.7-36.6000112.6F130 S137 E140 L141F130-P135 HydrophobicContact CD2-CG 3.9Å; F130-P135 HydrophobicContact CE2-CG 4.11Å; P135-S137 VanDerWaalsContact C-N 3.28Å; P135-S137 PolarHBondContact O-N 2.77Å; P135-E140 HydrophobicContact CB-CB 4.18Å; P135-E140 HydrophobicContact CB-CG 4.22Å; P135-L141 HydrophobicContact CB-CB 4.21Å; P135-L141 HydrophobicContact CG-CB 4.13Å; P135-L141 HydrophobicContact CG-CD1 4.28Å
136T83.8Confident90.7Very high125 Ų12526.9 Ų26.977%0.76715%0.148SC*.SBendtrans-71.3-23.3178.460.20000113.1E140T136-E140 WeakPolarHBondContact CB-OE2 3.4Å; T136-E140 PolarHBondContact N-OE2 2.97Å; T136-E140 PolarHBondContact OG1-OE2 3.11Å
137S85.2Confident90.5Very high52 Ų5228.3 Ų28.336%0.36416%0.158SC..SBendtrans-152.8155.6-175.963.60000112.2P135 S139 E140 L141P135-S137 VanDerWaalsContact C-N 3.28Å; P135-S137 PolarHBondContact O-N 2.77Å; S137-S139 PolarHBondContact O-N 3.34Å; S137-E140 WeakPolarHBondContact O-CB 3.3Å; S137-E140 PolarHBondContact O-N 3.34Å; S137-E140 PolarHBondContact OG-N 3.03Å; S137-L141 PolarHBondContact O-N 2.96Å
138R87.5Confident90.6Very high67 Ų6727.1 Ų27.125%0.25315%0.153SC..Hα-helixtrans-54.9-33.3170.9-168.3179.364.3174.8-0.6112.4M26 F29 S103 V104 L141 Y142M26-R138 HydrophobicContact SD-CG 4.28Å; M26-R138 PolarHBondContact SD-NE 2.9Å; M26-R138 VanDerWaalsContact SD-NE 3.43Å; F29-R138 PolarHBondContact O-NH2 3.33Å; S103-R138 WeakPolarHBondContact OG-CD 3.39Å; S103-R138 PolarHBondContact OG-NH1 2.98Å; V104-R138 HydrophobicContact CG2-CG 3.57Å; R138-L141 PolarHBondContact O-N 2.8Å; R138-Y142 WeakPolarHBondContact O-CB 3.45Å; R138-Y142 PolarHBondContact O-N 2.89Å
139S86.7Confident90.5Very high40 Ų4027.7 Ų27.728%0.2816%0.155SC..Hα-helixtrans-64.4-39.8175.2-52.10000113.1M26 S137 A143M26-S139 WeakPolarHBondContact CB-OG 2.94Å; S137-S139 PolarHBondContact O-N 3.34Å; S139-A143 WeakPolarHBondContact O-CB 3.5Å; S139-A143 PolarHBondContact O-N 3.44Å
140E88.9Confident90.3Very high17 Ų1730.9 Ų30.98%0.07917%0.169CC..Hα-helixtrans-66.1-42.1175-173.9-179.9179.100111R14 L19 P135 T136 S137 A143 S144R14-E140 IonicContact CZ-OE1 2.79Å; R14-E140 VanDerWaalsContact CZ-OE1 3.29Å; R14-E140 IonicContact NE-OE1 3.85Å; R14-E140 PolarHBondContact NE-OE1 3.18Å; R14-E140 IonicContact NH2-OE1 3.82Å; R14-E140 PolarHBondContact NH2-OE1 3.39Å; L19-E140 HydrophobicContact CD1-CG 4.4Å; P135-E140 HydrophobicContact CB-CB 4.18Å; P135-E140 HydrophobicContact CB-CG 4.22Å; T136-E140 WeakPolarHBondContact CB-OE2 3.4Å; T136-E140 PolarHBondContact N-OE2 2.97Å; T136-E140 PolarHBondContact OG1-OE2 3.11Å; S137-E140 WeakPolarHBondContact O-CB 3.3Å; S137-E140 PolarHBondContact O-N 3.34Å; S137-E140 PolarHBondContact OG-N 3.03Å; E140-A143 PolarHBondContact O-N 3.31Å; E140-S144 WeakPolarHBondContact O-CB 3.42Å; E140-S144 PolarHBondContact O-N 3.41Å; E140-S144 PolarHBondContact O-OG 3.27Å
141L91.7Very high90.2Very high2 Ų232.2 Ų32.21%0.0117%0.174CC..Hα-helixtrans-63.6-46.4176-175.658.6000111.9L101 V104 L126 L129 F130 P135 S137 R138 S144 F145L101-L141 HydrophobicContact CD2-CD2 4.35Å; V104-L141 HydrophobicContact CG2-CD2 4.31Å; V104-L141 HydrophobicContact CG2-CG 4.37Å; L126-L141 HydrophobicContact CD2-CD1 3.72Å; L126-L141 HydrophobicContact CD2-CD2 4.5Å; L126-L141 HydrophobicContact CD2-CG 3.95Å; L129-L141 HydrophobicContact CB-CD1 4.44Å; F130-L141 HydrophobicContact CD2-CD2 4Å; P135-L141 HydrophobicContact CB-CB 4.21Å; P135-L141 HydrophobicContact CG-CB 4.13Å; P135-L141 HydrophobicContact CG-CD1 4.28Å; S137-L141 PolarHBondContact O-N 2.96Å; R138-L141 PolarHBondContact O-N 2.8Å; L141-S144 PolarHBondContact O-N 3.24Å; L141-F145 WeakPolarHBondContact O-CB 3.44Å; L141-F145 PolarHBondContact O-N 3.31Å
142Y92.4Very high90.3Very high15 Ų1531.5 Ų31.56%0.05917%0.17CC..Hα-helixtrans-59.8-48.2175179.4-104.4000112.2M26 V104 H107 F108 R138 S144 F145 V146M26-Y142 HydrophobicContact CB-CD1 4.42Å; M26-Y142 HydrophobicContact CE-CD2 3.94Å; M26-Y142 HydrophobicContact CE-CE2 4.5Å; M26-Y142 HydrophobicContact CE-CG 4.16Å; M26-Y142 HydrophobicContact CG-CD1 3.66Å; M26-Y142 HydrophobicContact CG-CD2 4.29Å; M26-Y142 HydrophobicContact CG-CE1 4.39Å; M26-Y142 HydrophobicContact CG-CG 3.61Å; V104-Y142 HydrophobicContact CG1-CD2 4.27Å; H107-Y142 AromaticContact CE1-CE2 3.97Å; H107-Y142 AromaticContact CE1-CZ 3.59Å; H107-Y142 PolarHBondContact CE1-OH 2.64Å; H107-Y142 AromaticContact ND1-CE2 3.23Å; H107-Y142 WeakPolarHBondContact ND1-CE2 3.42Å; H107-Y142 AromaticContact ND1-CZ 3.34Å; H107-Y142 VanDerWaalsContact ND1-CZ 3.34Å; H107-Y142 PolarHBondContact ND1-OH 3.16Å; F108-Y142 HydrophobicContact CB-CE2 4.07Å; F108-Y142 HydrophobicContact CD2-CE2 4.41Å; R138-Y142 WeakPolarHBondContact O-CB 3.45Å; R138-Y142 PolarHBondContact O-N 2.89Å; Y142-S144 VanDerWaalsContact C-N 3.29Å; Y142-S144 PolarHBondContact O-N 3.03Å; Y142-F145 PolarHBondContact O-N 2.91Å; Y142-V146 HydrophobicContact CD1-CG2 4.17Å; Y142-V146 HydrophobicContact CD2-CG2 4.13Å; Y142-V146 HydrophobicContact CE1-CG2 3.77Å; Y142-V146 HydrophobicContact CE2-CG2 3.71Å; Y142-V146 HydrophobicContact CG-CG2 4.33Å; Y142-V146 WeakPolarHBondContact O-CB 3.4Å; Y142-V146 VanDerWaalsContact O-CG2 3.26Å; Y142-V146 WeakPolarHBondContact O-CG2 3.15Å; Y142-V146 PolarHBondContact O-N 2.9Å
143A91.2Very high90.4Very high21 Ų2131.5 Ų31.517%0.17417%0.17CC..Hα-helixtrans-60.9-38.9177.900000112.1S139 E140 S147S139-A143 WeakPolarHBondContact O-CB 3.5Å; S139-A143 PolarHBondContact O-N 3.44Å; E140-A143 PolarHBondContact O-N 3.31Å; A143-S147 WeakPolarHBondContact O-CB 3.45Å; A143-S147 PolarHBondContact O-N 2.84Å
144S92.5Very high90.5Very high0 Ų031.6 Ų31.60%017%0.172CC..Hα-helixtrans-64.3-47.1176.3-56.10000112L19 L133 E140 L141 Y142 S147 F148L19-S144 VanDerWaalsContact CD1-OG 3.27Å; L19-S144 WeakPolarHBondContact CD1-OG 3.12Å; L133-S144 VanDerWaalsContact CD1-OG 3.26Å; L133-S144 WeakPolarHBondContact CD1-OG 3.2Å; E140-S144 WeakPolarHBondContact O-CB 3.42Å; E140-S144 PolarHBondContact O-N 3.41Å; E140-S144 PolarHBondContact O-OG 3.27Å; L141-S144 PolarHBondContact O-N 3.24Å; Y142-S144 VanDerWaalsContact C-N 3.29Å; Y142-S144 PolarHBondContact O-N 3.03Å; S144-S147 PolarHBondContact O-N 3.25Å; S144-F148 WeakPolarHBondContact O-CB 3.48Å; S144-F148 PolarHBondContact O-N 2.77Å
145F94.5Very high90.4Very high0 Ų028.9 Ų28.90%016%0.163CC..Hα-helixtrans-65-44.6178-175.4-100000112.5L105 F108 W122 I125 L126 L129 L141 Y142 S147 F148 Y149L105-F145 HydrophobicContact CD2-CD1 4.38Å; L105-F145 HydrophobicContact CD2-CE1 3.82Å; L105-F145 HydrophobicContact CD2-CE2 4.05Å; L105-F145 HydrophobicContact CD2-CZ 3.63Å; F108-F145 HydrophobicContact CB-CE1 4.39Å; F108-F145 HydrophobicContact CD1-CD1 4.48Å; F108-F145 AromaticContact CD1-CE1 3.67Å; F108-F145 HydrophobicContact CD1-CE1 3.67Å; F108-F145 AromaticContact CD2-CD1 3.89Å; F108-F145 HydrophobicContact CD2-CD1 3.89Å; F108-F145 AromaticContact CD2-CE1 3.83Å; F108-F145 HydrophobicContact CD2-CE1 3.83Å; F108-F145 AromaticContact CE1-CE1 3.83Å; F108-F145 HydrophobicContact CE1-CE1 3.83Å; F108-F145 HydrophobicContact CE2-CD1 4.22Å; F108-F145 AromaticContact CE2-CE1 4Å; F108-F145 HydrophobicContact CE2-CE1 4Å; F108-F145 HydrophobicContact CG-CD1 4.05Å; F108-F145 AromaticContact CG-CE1 3.68Å; F108-F145 HydrophobicContact CG-CE1 3.68Å; F108-F145 HydrophobicContact CZ-CE1 4.01Å; W122-F145 HydrophobicContact CB-CE2 4.08Å; W122-F145 HydrophobicContact CB-CZ 3.79Å; W122-F145 HydrophobicContact CD2-CZ 4.2Å; W122-F145 HydrophobicContact CG-CE2 4.42Å; W122-F145 AromaticContact CG-CZ 3.76Å; W122-F145 HydrophobicContact CG-CZ 3.76Å; I125-F145 HydrophobicContact CB-CE2 4.22Å; I125-F145 HydrophobicContact CG2-CD2 3.82Å; I125-F145 HydrophobicContact CG2-CE2 3.79Å; L126-F145 HydrophobicContact CD2-CB 3.66Å; L126-F145 HydrophobicContact CD2-CD2 3.48Å; L126-F145 VanDerWaalsContact CD2-CD2 3.48Å; L126-F145 HydrophobicContact CD2-CE2 4.37Å; L126-F145 HydrophobicContact CD2-CG 3.74Å; L126-F145 HydrophobicContact CG-CD2 3.68Å; L126-F145 HydrophobicContact CG-CE2 4.09Å; L126-F145 HydrophobicContact CG-CG 4.31Å; L129-F145 HydrophobicContact CD1-CB 4.36Å; L129-F145 HydrophobicContact CD1-CD2 4.43Å; L141-F145 WeakPolarHBondContact O-CB 3.44Å; L141-F145 PolarHBondContact O-N 3.31Å; Y142-F145 PolarHBondContact O-N 2.91Å; F145-S147 PolarHBondContact O-N 2.81Å; F145-F148 PolarHBondContact O-N 3.26Å; F145-Y149 VanDerWaalsContact O-CB 3.29Å; F145-Y149 WeakPolarHBondContact O-CB 3.5Å; F145-Y149 PolarHBondContact O-N 2.86Å
146V92.6Very high90.2Very high26 Ų2630.2 Ų30.216%0.15818%0.18CC..Hα-helixtrans-59.9-44.8175.9168.80000111F108 Y112 Y142 Y149 H150F108-V146 HydrophobicContact CD2-CG2 3.89Å; F108-V146 HydrophobicContact CE2-CG2 4.19Å; Y112-V146 HydrophobicContact CE2-CG2 4.48Å; Y142-V146 HydrophobicContact CD1-CG2 4.17Å; Y142-V146 HydrophobicContact CD2-CG2 4.13Å; Y142-V146 HydrophobicContact CE1-CG2 3.77Å; Y142-V146 HydrophobicContact CE2-CG2 3.71Å; Y142-V146 HydrophobicContact CG-CG2 4.33Å; Y142-V146 WeakPolarHBondContact O-CB 3.4Å; Y142-V146 VanDerWaalsContact O-CG2 3.26Å; Y142-V146 WeakPolarHBondContact O-CG2 3.15Å; Y142-V146 PolarHBondContact O-N 2.9Å; V146-Y149 PolarHBondContact O-N 2.74Å; V146-H150 PolarHBondContact O-CD2 2.85Å; V146-H150 PolarHBondContact O-N 2.84Å; V146-H150 VanDerWaalsContact O-N 3.1Å
147S91.8Very high90.1Very high29 Ų2928.9 Ų28.920%0.20317%0.172CC..Hα-helixtrans-68.1-37.8178.6-173.60000113L17 A143 S144 F145 R151L17-S147 WeakPolarHBondContact O-CB 3.21Å; L17-S147 PolarHBondContact O-OG 2.77Å; A143-S147 WeakPolarHBondContact O-CB 3.45Å; A143-S147 PolarHBondContact O-N 2.84Å; S144-S147 PolarHBondContact O-N 3.25Å; F145-S147 PolarHBondContact O-N 2.81Å; S147-R151 VanDerWaalsContact O-CB 3.3Å; S147-R151 WeakPolarHBondContact O-CB 3.31Å
148F94.3Very high90Very high1 Ų131.3 Ų31.30%0.00418%0.181CC..Hα-helixtrans-60.9-51.5171.9-176.7-82.1000110.9I125 L129 S144 F145 R151 F152 V153 L200 W214 F218I125-F148 HydrophobicContact CB-CE1 4.39Å; I125-F148 HydrophobicContact CD1-CD1 4.23Å; I125-F148 HydrophobicContact CD1-CE1 3.57Å; I125-F148 HydrophobicContact CD1-CZ 4.34Å; I125-F148 HydrophobicContact CG1-CD1 4.49Å; I125-F148 HydrophobicContact CG1-CE1 3.77Å; I125-F148 HydrophobicContact CG1-CZ 4.11Å; I125-F148 HydrophobicContact CG2-CD1 3.59Å; I125-F148 HydrophobicContact CG2-CE1 3.67Å; I125-F148 HydrophobicContact CG2-CG 4.04Å; I125-F148 HydrophobicContact CG2-CZ 4.15Å; L129-F148 HydrophobicContact CD1-CB 4.42Å; S144-F148 WeakPolarHBondContact O-CB 3.48Å; S144-F148 PolarHBondContact O-N 2.77Å; F145-F148 PolarHBondContact O-N 3.26Å; F148-R151 PolarHBondContact O-N 3.17Å; F148-F152 HydrophobicContact CD2-CD2 4.16Å; F148-F152 HydrophobicContact CE1-CB 4.36Å; F148-F152 HydrophobicContact CE2-CD2 4.39Å; F148-F152 HydrophobicContact CG-CD2 4.49Å; F148-F152 HydrophobicContact CZ-CB 4.39Å; F148-F152 PolarHBondContact O-N 3.44Å; F148-V153 HydrophobicContact CD1-CG2 4.21Å; F148-V153 HydrophobicContact CE1-CG2 4.03Å; F148-L200 HydrophobicContact CE2-CD2 3.92Å; F148-L200 HydrophobicContact CZ-CB 3.89Å; F148-L200 HydrophobicContact CZ-CD2 3.61Å; F148-L200 HydrophobicContact CZ-CG 4.38Å; F148-W214 HydrophobicContact CD2-CE3 4.44Å; F148-W214 HydrophobicContact CD2-CH2 4.22Å; F148-W214 AromaticContact CD2-CZ3 3.98Å; F148-W214 HydrophobicContact CD2-CZ3 3.98Å; F148-W214 HydrophobicContact CE2-CD2 4.08Å; F148-W214 AromaticContact CE2-CE3 3.78Å; F148-W214 HydrophobicContact CE2-CE3 3.78Å; F148-W214 AromaticContact CE2-CH2 3.41Å; F148-W214 HydrophobicContact CE2-CH2 3.41Å; F148-W214 VanDerWaalsContact CE2-CH2 3.41Å; F148-W214 AromaticContact CE2-CZ2 3.72Å; F148-W214 HydrophobicContact CE2-CZ2 3.72Å; F148-W214 AromaticContact CE2-CZ3 3.44Å; F148-W214 HydrophobicContact CE2-CZ3 3.44Å; F148-W214 VanDerWaalsContact CE2-CZ3 3.44Å; F148-W214 AromaticContact CZ-CH2 3.58Å; F148-W214 HydrophobicContact CZ-CH2 3.58Å; F148-W214 AromaticContact CZ-CZ2 3.62Å; F148-W214 HydrophobicContact CZ-CZ2 3.62Å; F148-W214 HydrophobicContact CZ-CZ3 4.12Å; F148-F218 AromaticContact CD2-CE1 3.79Å; F148-F218 HydrophobicContact CD2-CE1 3.79Å; F148-F218 AromaticContact CD2-CZ 3.71Å; F148-F218 HydrophobicContact CD2-CZ 3.71Å; F148-F218 AromaticContact CE2-CE1 3.85Å; F148-F218 HydrophobicContact CE2-CE1 3.85Å; F148-F218 AromaticContact CE2-CZ 3.93Å; F148-F218 HydrophobicContact CE2-CZ 3.93Å
149Y93Very high90.1Very high17 Ų1729.1 Ų29.17%0.06717%0.174CC..Hα-helixtrans-59.3-56-175-176.5-83.8000112.2F108 L114 W122 F145 V146 R151 V153 T155F108-Y149 AromaticContact CE1-CD2 3.99Å; F108-Y149 HydrophobicContact CE1-CD2 3.99Å; F108-Y149 AromaticContact CE1-CE2 3.94Å; F108-Y149 HydrophobicContact CE1-CE2 3.94Å; F108-Y149 HydrophobicContact CE1-CG 4.35Å; F108-Y149 HydrophobicContact CE2-CD1 4.2Å; F108-Y149 HydrophobicContact CE2-CD2 4.5Å; F108-Y149 HydrophobicContact CE2-CG 4.08Å; F108-Y149 AromaticContact CZ-CD1 3.58Å; F108-Y149 HydrophobicContact CZ-CD1 3.58Å; F108-Y149 AromaticContact CZ-CD2 3.56Å; F108-Y149 HydrophobicContact CZ-CD2 3.56Å; F108-Y149 AromaticContact CZ-CE1 3.8Å; F108-Y149 HydrophobicContact CZ-CE1 3.8Å; F108-Y149 AromaticContact CZ-CE2 3.77Å; F108-Y149 HydrophobicContact CZ-CE2 3.77Å; F108-Y149 AromaticContact CZ-CG 3.46Å; F108-Y149 HydrophobicContact CZ-CG 3.46Å; F108-Y149 VanDerWaalsContact CZ-CG 3.46Å; F108-Y149 AromaticContact CZ-CZ 3.9Å; L114-Y149 HydrophobicContact CD1-CE1 4.34Å; L114-Y149 HydrophobicContact CD1-CE2 4.43Å; L114-Y149 VanDerWaalsContact CD1-OH 3.31Å; L114-Y149 WeakPolarHBondContact CD1-OH 3.36Å; W122-Y149 HydrophobicContact CZ2-CE2 4.14Å; W122-Y149 AromaticContact NE1-CE2 3.78Å; F145-Y149 VanDerWaalsContact O-CB 3.29Å; F145-Y149 WeakPolarHBondContact O-CB 3.5Å; F145-Y149 PolarHBondContact O-N 2.86Å; V146-Y149 PolarHBondContact O-N 2.74Å; Y149-R151 PolarHBondContact O-N 3.26Å; Y149-V153 HydrophobicContact CD2-CB 3.89Å; Y149-V153 HydrophobicContact CD2-CG1 3.98Å; Y149-V153 HydrophobicContact CD2-CG2 3.97Å; Y149-V153 HydrophobicContact CE2-CB 4.1Å; Y149-V153 HydrophobicContact CE2-CG1 3.71Å; Y149-V153 HydrophobicContact CG-CB 4.23Å; Y149-V153 HydrophobicContact CG-CG2 4.43Å; Y149-V153 WeakPolarHBondContact O-CB 3.41Å; Y149-V153 PolarHBondContact O-N 3.2Å; Y149-V153 VanDerWaalsContact O-N 3.1Å; Y149-T155 HydrophobicContact CE1-CG2 3.61Å
150H89.9Confident90.3Very high67 Ų6730.6 Ų30.631%0.3118%0.179SC..Hα-helixtrans-69.15.4-177.7-68.8-66.5000114.4Y112 V146Y112-H150 AromaticContact CD1-CE1 3.99Å; Y112-H150 AromaticContact CE1-CE1 3.56Å; Y112-H150 AromaticContact CE1-NE2 3.42Å; Y112-H150 WeakPolarHBondContact CE1-NE2 3.39Å; Y112-H150 AromaticContact CE2-NE2 3.7Å; Y112-H150 AromaticContact CZ-CE1 3.81Å; Y112-H150 AromaticContact CZ-NE2 3.16Å; Y112-H150 PolarHBondContact OH-NE2 3.25Å; V146-H150 PolarHBondContact O-CD2 2.85Å; V146-H150 PolarHBondContact O-N 2.84Å; V146-H150 VanDerWaalsContact O-N 3.1Å
151R91.1Very high90.4Very high48 Ų4833.9 Ų33.918%0.18119%0.194CC..Hα-helixtrans-124.2-41.9-179.2-170171.8-176.8173.2-8.1113.3C16 S147 F148 Y149 S221 P223C16-R151 PolarHBondContact O-NH1 3.16Å; C16-R151 PolarHBondContact O-NH2 3.24Å; S147-R151 VanDerWaalsContact O-CB 3.3Å; S147-R151 WeakPolarHBondContact O-CB 3.31Å; F148-R151 PolarHBondContact O-N 3.17Å; Y149-R151 PolarHBondContact O-N 3.26Å; R151-S221 PolarHBondContact NH2-OG 2.89Å; R151-P223 VanDerWaalsContact O-CB 3.28Å; R151-P223 WeakPolarHBondContact O-CB 3.19Å; R151-P223 WeakPolarHBondContact O-CG 3.38Å
152F94.2Very high90.4Very high2 Ų233.9 Ų33.91%0.00919%0.194CC..Hα-helixtrans-116.7-10.2-172.2-59.2-70.3000114.2L17 F148 L200 Y217 F218L17-F152 HydrophobicContact CD2-CE2 4.45Å; F148-F152 HydrophobicContact CD2-CD2 4.16Å; F148-F152 HydrophobicContact CE1-CB 4.36Å; F148-F152 HydrophobicContact CE2-CD2 4.39Å; F148-F152 HydrophobicContact CG-CD2 4.49Å; F148-F152 HydrophobicContact CZ-CB 4.39Å; F148-F152 PolarHBondContact O-N 3.44Å; F152-L200 HydrophobicContact CB-CD2 4.17Å; F152-L200 HydrophobicContact CG-CD2 4.46Å; F152-Y217 HydrophobicContact CD1-CD1 4.21Å; F152-Y217 HydrophobicContact CE1-CD1 4.34Å; F152-F218 HydrophobicContact CD2-CD1 4.31Å; F152-F218 AromaticContact CD2-CE1 3.96Å; F152-F218 HydrophobicContact CD2-CE1 3.96Å; F152-F218 AromaticContact CE2-CD1 3.48Å; F152-F218 HydrophobicContact CE2-CD1 3.48Å; F152-F218 VanDerWaalsContact CE2-CD1 3.48Å; F152-F218 AromaticContact CE2-CE1 3.54Å; F152-F218 HydrophobicContact CE2-CE1 3.54Å; F152-F218 AromaticContact CZ-CD1 3.71Å; F152-F218 HydrophobicContact CZ-CD1 3.71Å; F152-F218 HydrophobicContact CZ-CE1 4.19Å
153V92.9Very high90.5Very high15 Ų1533.1 Ų33.19%0.09119%0.191CC..SBendtrans-99.5130.5174.4-176.80000109.4I125 F148 Y149I125-V153 HydrophobicContact CD1-CG2 4.37Å; F148-V153 HydrophobicContact CD1-CG2 4.21Å; F148-V153 HydrophobicContact CE1-CG2 4.03Å; Y149-V153 HydrophobicContact CD2-CB 3.89Å; Y149-V153 HydrophobicContact CD2-CG1 3.98Å; Y149-V153 HydrophobicContact CD2-CG2 3.97Å; Y149-V153 HydrophobicContact CE2-CB 4.1Å; Y149-V153 HydrophobicContact CE2-CG1 3.71Å; Y149-V153 HydrophobicContact CG-CB 4.23Å; Y149-V153 HydrophobicContact CG-CG2 4.43Å; Y149-V153 WeakPolarHBondContact O-CB 3.41Å; Y149-V153 PolarHBondContact O-N 3.2Å; Y149-V153 VanDerWaalsContact O-N 3.1Å
154A91.7Very high90.7Very high7 Ų732.7 Ų32.76%0.05819%0.187CC..  trans-76.2146178.300000110.9I159 V163 M197 L316 F317A154-I159 HydrophobicContact CB-CD1 3.99Å; A154-I159 HydrophobicContact CB-CG1 3.78Å; A154-V163 HydrophobicContact CB-CG2 4.1Å; A154-M197 HydrophobicContact CB-CE 3.92Å; A154-M197 HydrophobicContact CB-SD 3.95Å; A154-L316 CarbonylContact C-O 3.57Å; A154-L316 VanDerWaalsContact CA-O 3.31Å; A154-L316 WeakPolarHBondContact CA-O 3.33Å; A154-L316 HydrophobicContact CB-CB 4.44Å; A154-F317 HydrophobicContact CB-CD1 4.28Å; A154-F317 HydrophobicContact CB-CE1 3.85Å; A154-F317 HydrophobicContact CB-CZ 4.1Å
155T87.3Confident90.7Very high32 Ų3234 Ų3420%0.19619%0.193CC..  trans-138.2157.2-170.863.10000115.9Y149 I159 L316 R326Y149-T155 HydrophobicContact CE1-CG2 3.61Å; T155-I159 WeakPolarHBondContact O-CD1 3.41Å; T155-L316 PolarHBondContact N-O 2.75Å; T155-R326 PolarHBondContact O-NH2 3.11Å
156G81.8Confident90.8Very high51 Ų5134 Ų3453%0.52619%0.193SC..SBendtrans113.6-174.1170.300000114.7I159G156-I159 WeakPolarHBondContact O-CB 3.47Å; G156-I159 PolarHBondContact O-N 3.18Å
157V79.9Confident91Very high98 Ų9832.8 Ų32.859%0.59419%0.186SC*.THydrogen-bonded Turntrans-67131.6-175.6-175.30000111.3I159 R326V157-I159 VanDerWaalsContact C-N 3.26Å; V157-I159 PolarHBondContact O-N 3.4Å; V157-R326 PolarHBondContact O-NH1 3.4Å
158N84.5Confident91.2Very high102 Ų10233.7 Ų33.755%0.54519%0.185SC..THydrogen-bonded Turntrans52.139.7-177.9-57.65.4000113.3D160 Q161 C162N158-D160 VanDerWaalsContact C-N 3.34Å; N158-D160 PolarHBondContact O-N 3.3Å; N158-Q161 HydrophobicContact CB-CB 4.36Å; N158-Q161 PolarHBondContact O-N 3.33Å; N158-C162 PolarHBondContact O-N 3.22Å; N158-C162 VanDerWaalsContact O-N 3.08Å; N158-C162 PolarHBondContact O-SG 3Å
159I88.8Confident91.3Very high22 Ų2233.6 Ų33.611%0.11319%0.185CC..Hα-helixtrans-61.2-40.5-173.2-170.357.5000112.8A154 T155 G156 V157 Q161 C162 V163 L316A154-I159 HydrophobicContact CB-CD1 3.99Å; A154-I159 HydrophobicContact CB-CG1 3.78Å; T155-I159 WeakPolarHBondContact O-CD1 3.41Å; G156-I159 WeakPolarHBondContact O-CB 3.47Å; G156-I159 PolarHBondContact O-N 3.18Å; V157-I159 VanDerWaalsContact C-N 3.26Å; V157-I159 PolarHBondContact O-N 3.4Å; I159-Q161 VanDerWaalsContact C-N 3.3Å; I159-Q161 PolarHBondContact O-N 2.97Å; I159-C162 HydrophobicContact CD1-CB 4.47Å; I159-C162 WeakPolarHBondContact O-CB 3.16Å; I159-C162 PolarHBondContact O-N 3.03Å; I159-C162 VanDerWaalsContact O-N 3.08Å; I159-V163 HydrophobicContact CD1-CG2 4.08Å; I159-V163 HydrophobicContact CG1-CG2 4.11Å; I159-V163 WeakPolarHBondContact O-CB 3.3Å; I159-V163 WeakPolarHBondContact O-CG2 3.38Å; I159-V163 PolarHBondContact O-N 2.95Å; I159-L316 HydrophobicContact CD1-CD2 3.67Å
160D91.5Very high91.6Very high70 Ų7032.8 Ų32.837%0.37418%0.182SC..Hα-helixtrans-62.2-40-179.4-51.5-43.4000111.7N158 V163 S164 I194N158-D160 VanDerWaalsContact C-N 3.34Å; N158-D160 PolarHBondContact O-N 3.3Å; D160-V163 PolarHBondContact O-N 3.04Å; D160-S164 WeakPolarHBondContact O-CB 3.49Å; D160-S164 PolarHBondContact O-N 3.17Å; D160-I194 HydrophobicContact CB-CD1 4.01Å; D160-I194 HydrophobicContact CB-CG1 4.19Å; D160-I194 HydrophobicContact CB-CG2 4.48Å
161Q91.4Very high91.9Very high87 Ų8729.7 Ų29.741%0.40717%0.167SC..Hα-helixtrans-65.6-41.8174.3-160.2-172.513.400111.5N158 I159 S164 I165 F330N158-Q161 HydrophobicContact CB-CB 4.36Å; N158-Q161 PolarHBondContact O-N 3.33Å; I159-Q161 VanDerWaalsContact C-N 3.3Å; I159-Q161 PolarHBondContact O-N 2.97Å; Q161-S164 PolarHBondContact O-N 2.92Å; Q161-I165 HydrophobicContact CG-CD1 4.42Å; Q161-I165 WeakPolarHBondContact O-CD1 3.48Å; Q161-I165 VanDerWaalsContact O-CG1 3.29Å; Q161-I165 WeakPolarHBondContact O-CG1 3.41Å; Q161-I165 PolarHBondContact O-N 2.83Å; Q161-F330 HydrophobicContact CG-CE1 4Å
162C91.6Very high92.2Very high1 Ų128.2 Ų28.21%0.00716%0.162CC..Hα-helixtrans-64.6-45.6176.9-62.40000111.6N158 I159 I165 V166 L316 L329N158-C162 PolarHBondContact O-N 3.22Å; N158-C162 VanDerWaalsContact O-N 3.08Å; N158-C162 PolarHBondContact O-SG 3Å; I159-C162 HydrophobicContact CD1-CB 4.47Å; I159-C162 WeakPolarHBondContact O-CB 3.16Å; I159-C162 PolarHBondContact O-N 3.03Å; I159-C162 VanDerWaalsContact O-N 3.08Å; C162-I165 PolarHBondContact O-N 3.17Å; C162-V166 WeakPolarHBondContact O-CG2 3.41Å; C162-V166 PolarHBondContact O-N 3.04Å; C162-L316 HydrophobicContact CB-CD2 3.96Å; C162-L329 HydrophobicContact CB-CD1 4.24Å
163V94.1Very high92.4Very high0 Ų028.2 Ų28.20%016%0.162CC..Hα-helixtrans-64.3-43.6177168.50000110.9A154 I159 D160 I165 V166 F167 F193 I194 M197 F227 L316A154-V163 HydrophobicContact CB-CG2 4.1Å; I159-V163 HydrophobicContact CD1-CG2 4.08Å; I159-V163 HydrophobicContact CG1-CG2 4.11Å; I159-V163 WeakPolarHBondContact O-CB 3.3Å; I159-V163 WeakPolarHBondContact O-CG2 3.38Å; I159-V163 PolarHBondContact O-N 2.95Å; D160-V163 PolarHBondContact O-N 3.04Å; V163-I165 VanDerWaalsContact C-N 3.32Å; V163-I165 PolarHBondContact O-N 3.01Å; V163-V166 PolarHBondContact O-N 3.04Å; V163-F167 WeakPolarHBondContact O-CB 3.38Å; V163-F167 PolarHBondContact O-N 3.11Å; V163-F193 HydrophobicContact CG1-CD1 3.8Å; V163-F193 HydrophobicContact CG1-CE1 3.64Å; V163-I194 HydrophobicContact CB-CD1 3.71Å; V163-I194 HydrophobicContact CG1-CD1 3.45Å; V163-I194 VanDerWaalsContact CG1-CD1 3.45Å; V163-M197 HydrophobicContact CB-CE 4.5Å; V163-M197 HydrophobicContact CB-SD 4.42Å; V163-M197 HydrophobicContact CG1-CE 4.12Å; V163-M197 HydrophobicContact CG1-SD 3.68Å; V163-M197 HydrophobicContact CG2-CE 3.98Å; V163-M197 HydrophobicContact CG2-SD 3.88Å; V163-F227 HydrophobicContact CG1-CE1 4.12Å; V163-F227 HydrophobicContact CG1-CZ 3.9Å; V163-F227 HydrophobicContact CG2-CZ 4.4Å; V163-L316 HydrophobicContact CG2-CD1 4.41Å; V163-L316 HydrophobicContact CG2-CD2 3.82Å
164S94.5Very high92.6Very high11 Ų1127.9 Ų27.98%0.07716%0.16CC..Hα-helixtrans-57.2-44.5176.2-178.50000111.4D160 Q161 R168 E190D160-S164 WeakPolarHBondContact O-CB 3.49Å; D160-S164 PolarHBondContact O-N 3.17Å; Q161-S164 PolarHBondContact O-N 2.92Å; S164-R168 VanDerWaalsContact O-CB 3.31Å; S164-R168 WeakPolarHBondContact O-CB 3.46Å; S164-R168 PolarHBondContact O-N 3.38Å; S164-E190 PolarHBondContact OG-N 3.1Å
165I94.3Very high92.8Very high28 Ų2829.3 Ų29.314%0.14417%0.165CC..Hα-helixtrans-65.5-48.4174.8-69.1164.8000111.8Q161 C162 V163 F167 R168 L169 F330Q161-I165 HydrophobicContact CG-CD1 4.42Å; Q161-I165 WeakPolarHBondContact O-CD1 3.48Å; Q161-I165 VanDerWaalsContact O-CG1 3.29Å; Q161-I165 WeakPolarHBondContact O-CG1 3.41Å; Q161-I165 PolarHBondContact O-N 2.83Å; C162-I165 PolarHBondContact O-N 3.17Å; V163-I165 VanDerWaalsContact C-N 3.32Å; V163-I165 PolarHBondContact O-N 3.01Å; I165-F167 VanDerWaalsContact C-N 3.34Å; I165-F167 PolarHBondContact O-N 3.39Å; I165-R168 PolarHBondContact O-N 2.97Å; I165-L169 HydrophobicContact CG2-CD1 3.98Å; I165-L169 HydrophobicContact CG2-CG 4.43Å; I165-L169 WeakPolarHBondContact O-CG 3.44Å; I165-L169 PolarHBondContact O-N 3.44Å; I165-F330 HydrophobicContact CD1-CD1 3.34Å; I165-F330 HydrophobicContact CD1-CE1 3.49Å; I165-F330 VanDerWaalsContact CD1-CE1 3.49Å; I165-F330 HydrophobicContact CD1-CG 4.35Å
166V95.4Very high93.2Very high0 Ų028 Ų280%016%0.157CC..Hα-helixtrans-63.2-39.4-179.1171.50000111.6C162 V163 L169 L170 F227 F308 Y312 L316C162-V166 WeakPolarHBondContact O-CG2 3.41Å; C162-V166 PolarHBondContact O-N 3.04Å; V163-V166 PolarHBondContact O-N 3.04Å; V166-L169 PolarHBondContact O-N 2.85Å; V166-L170 PolarHBondContact O-N 2.82Å; V166-F227 HydrophobicContact CB-CE1 4.16Å; V166-F227 HydrophobicContact CG1-CD1 4.2Å; V166-F227 HydrophobicContact CG1-CE1 3.77Å; V166-F227 HydrophobicContact CG1-CZ 4.4Å; V166-F308 HydrophobicContact CG1-CE2 3.7Å; V166-F308 HydrophobicContact CG1-CZ 3.91Å; V166-Y312 HydrophobicContact CG1-CD1 4.42Å; V166-Y312 HydrophobicContact CG1-CD2 3.73Å; V166-Y312 HydrophobicContact CG1-CE2 4.26Å; V166-Y312 HydrophobicContact CG1-CG 3.8Å; V166-Y312 HydrophobicContact CG2-CD1 3.56Å; V166-Y312 HydrophobicContact CG2-CD2 4.3Å; V166-Y312 HydrophobicContact CG2-CE1 3.85Å; V166-Y312 HydrophobicContact CG2-CG 3.8Å; V166-L316 HydrophobicContact CB-CD1 4.33Å; V166-L316 HydrophobicContact CG1-CD1 4.15Å; V166-L316 HydrophobicContact CG2-CD1 4.3Å
167F97.2Very high93.9Very high0 Ų031.2 Ų31.20%016%0.157CC..Hα-helixtrans-68.5-42.6174.6-170.7-89.3000112V163 I165 L169 L170 L171 P189 Y192 F193 F227 I234V163-F167 WeakPolarHBondContact O-CB 3.38Å; V163-F167 PolarHBondContact O-N 3.11Å; I165-F167 VanDerWaalsContact C-N 3.34Å; I165-F167 PolarHBondContact O-N 3.39Å; F167-L169 VanDerWaalsContact C-N 3.31Å; F167-L169 PolarHBondContact O-N 2.97Å; F167-L170 PolarHBondContact O-N 2.83Å; F167-L171 HydrophobicContact CE1-CB 4.41Å; F167-L171 HydrophobicContact CE1-CD2 4.48Å; F167-L171 WeakPolarHBondContact O-CB 3.5Å; F167-L171 PolarHBondContact O-N 2.83Å; F167-P189 HydrophobicContact CB-CB 4.24Å; F167-P189 HydrophobicContact CD1-CB 3.75Å; F167-P189 HydrophobicContact CD1-CG 3.89Å; F167-P189 HydrophobicContact CG-CB 4.34Å; F167-Y192 HydrophobicContact CD1-CE2 4.44Å; F167-Y192 AromaticContact CE1-CE2 3.95Å; F167-Y192 HydrophobicContact CE1-CE2 3.95Å; F167-F193 HydrophobicContact CB-CD1 3.95Å; F167-F193 HydrophobicContact CB-CE1 4.13Å; F167-F193 HydrophobicContact CB-CG 4.4Å; F167-F193 HydrophobicContact CD1-CB 4.42Å; F167-F193 HydrophobicContact CD1-CD2 4.47Å; F167-F193 HydrophobicContact CD1-CG 4.24Å; F167-F193 AromaticContact CD2-CD1 3.82Å; F167-F193 HydrophobicContact CD2-CD1 3.82Å; F167-F193 AromaticContact CD2-CD2 3.5Å; F167-F193 HydrophobicContact CD2-CD2 3.5Å; F167-F193 AromaticContact CD2-CE1 3.71Å; F167-F193 HydrophobicContact CD2-CE1 3.71Å; F167-F193 AromaticContact CD2-CE2 3.41Å; F167-F193 HydrophobicContact CD2-CE2 3.41Å; F167-F193 VanDerWaalsContact CD2-CE2 3.41Å; F167-F193 AromaticContact CD2-CG 3.73Å; F167-F193 HydrophobicContact CD2-CG 3.73Å; F167-F193 AromaticContact CD2-CZ 3.51Å; F167-F193 HydrophobicContact CD2-CZ 3.51Å; F167-F193 HydrophobicContact CE1-CD2 4.39Å; F167-F193 AromaticContact CE2-CD2 3.41Å; F167-F193 HydrophobicContact CE2-CD2 3.41Å; F167-F193 VanDerWaalsContact CE2-CD2 3.41Å; F167-F193 AromaticContact CE2-CE2 3.38Å; F167-F193 HydrophobicContact CE2-CE2 3.38Å; F167-F193 HydrophobicContact CE2-CG 4.06Å; F167-F193 AromaticContact CE2-CZ 3.97Å; F167-F193 HydrophobicContact CE2-CZ 3.97Å; F167-F193 HydrophobicContact CG-CB 4.45Å; F167-F193 AromaticContact CG-CD1 3.86Å; F167-F193 HydrophobicContact CG-CD1 3.86Å; F167-F193 HydrophobicContact CG-CD2 4.06Å; F167-F193 HydrophobicContact CG-CE1 4.12Å; F167-F193 HydrophobicContact CG-CE2 4.33Å; F167-F193 AromaticContact CG-CG 3.84Å; F167-F193 HydrophobicContact CG-CG 3.84Å; F167-F193 HydrophobicContact CG-CZ 4.36Å; F167-F193 AromaticContact CZ-CD2 3.89Å; F167-F193 HydrophobicContact CZ-CD2 3.89Å; F167-F193 HydrophobicContact CZ-CE2 4.28Å; F167-F193 HydrophobicContact CZ-CG 4.45Å; F167-F227 HydrophobicContact CB-CD1 4.11Å; F167-F227 HydrophobicContact CB-CE1 4.12Å; F167-F227 AromaticContact CD2-CD1 3.9Å; F167-F227 HydrophobicContact CD2-CD1 3.9Å; F167-I234 HydrophobicContact CE1-CD1 3.82Å; F167-I234 HydrophobicContact CZ-CD1 3.86Å
168R96.5Very high94.6Very high48 Ų4826.5 Ų26.518%0.18113%0.128CC..Hα-helixtrans-57.7-44174.1-168.2-165.263.870.62.4111.2S164 I165 L171 Q172 P189 A332S164-R168 VanDerWaalsContact O-CB 3.31Å; S164-R168 WeakPolarHBondContact O-CB 3.46Å; S164-R168 PolarHBondContact O-N 3.38Å; I165-R168 PolarHBondContact O-N 2.97Å; R168-L171 PolarHBondContact O-N 3.43Å; R168-Q172 VanDerWaalsContact NH1-NE2 3.19Å; R168-Q172 WeakPolarHBondContact O-CB 3.48Å; R168-Q172 PolarHBondContact O-N 2.87Å; R168-P189 HydrophobicContact CB-CG 4.08Å; R168-A332 PolarHBondContact NH2-O 3.5Å
169L96.4Very high95.1Very high0 Ų021.8 Ų21.80%010%0.103CC..Hα-helixtrans-63.7-40.4177-71.5172.2000112.2I165 V166 F167 Y173 A332 M335I165-L169 HydrophobicContact CG2-CD1 3.98Å; I165-L169 HydrophobicContact CG2-CG 4.43Å; I165-L169 WeakPolarHBondContact O-CG 3.44Å; I165-L169 PolarHBondContact O-N 3.44Å; V166-L169 PolarHBondContact O-N 2.85Å; F167-L169 VanDerWaalsContact C-N 3.31Å; F167-L169 PolarHBondContact O-N 2.97Å; L169-Y173 WeakPolarHBondContact O-CB 3.47Å; L169-Y173 PolarHBondContact O-N 3.45Å; L169-A332 HydrophobicContact CD1-CB 4.03Å; L169-M335 HydrophobicContact CB-CE 4.43Å
170L97.7Very high95.4Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-65.7-45.1175.4-173.865.9000112V166 F167 Y173 H174 F227 Y228 L231 T304 F308 M335V166-L170 PolarHBondContact O-N 2.82Å; F167-L170 PolarHBondContact O-N 2.83Å; L170-Y173 PolarHBondContact O-N 3.17Å; L170-H174 PolarHBondContact O-CD2 3.24Å; L170-H174 PolarHBondContact O-N 3.05Å; L170-F227 HydrophobicContact CD2-CB 3.81Å; L170-Y228 HydrophobicContact CD1-CE1 4.33Å; L170-Y228 HydrophobicContact CD2-CD1 4.37Å; L170-Y228 HydrophobicContact CD2-CE1 4.37Å; L170-L231 HydrophobicContact CD2-CB 4.45Å; L170-L231 HydrophobicContact CD2-CD2 4.27Å; L170-L231 HydrophobicContact CG-CD2 4.16Å; L170-T304 HydrophobicContact CD1-CG2 3.98Å; L170-F308 HydrophobicContact CB-CE2 3.93Å; L170-F308 HydrophobicContact CB-CZ 4.31Å; L170-F308 HydrophobicContact CD1-CD2 4.27Å; L170-F308 HydrophobicContact CD1-CE2 3.99Å; L170-F308 HydrophobicContact CD1-CZ 4.17Å; L170-F308 HydrophobicContact CD2-CE2 4.39Å; L170-F308 HydrophobicContact CD2-CZ 3.96Å; L170-F308 HydrophobicContact CG-CE2 4.32Å; L170-F308 HydrophobicContact CG-CZ 4.38Å; L170-M335 HydrophobicContact CD1-CE 4.42Å
171L97.5Very high95.5Very high2 Ų220.8 Ų20.81%0.0110%0.1CC..Hα-helixtrans-63.6-42.5176.7-178.464000111.5F167 R168 Y173 E175 C179 L182 L231 I234F167-L171 HydrophobicContact CE1-CB 4.41Å; F167-L171 HydrophobicContact CE1-CD2 4.48Å; F167-L171 WeakPolarHBondContact O-CB 3.5Å; F167-L171 PolarHBondContact O-N 2.83Å; R168-L171 PolarHBondContact O-N 3.43Å; L171-Y173 VanDerWaalsContact C-N 3.3Å; L171-Y173 PolarHBondContact O-N 3.28Å; L171-E175 HydrophobicContact CD1-CB 4.34Å; L171-E175 CarbonylContact O-C 3.57Å; L171-E175 WeakPolarHBondContact O-CA 3.45Å; L171-E175 PolarHBondContact O-N 2.93Å; L171-C179 HydrophobicContact CD2-CB 4.33Å; L171-C179 HydrophobicContact CG-CB 4.13Å; L171-L182 HydrophobicContact CD2-CD1 4.02Å; L171-L231 HydrophobicContact CB-CD1 4.44Å; L171-L231 HydrophobicContact CD1-CD1 3.81Å; L171-I234 HydrophobicContact CD1-CG2 3.95Å; L171-I234 HydrophobicContact CD2-CG2 4.37Å
172Q97.2Very high95.6Very high17 Ų1716.8 Ų16.88%0.0798%0.081CC..Hα-helixtrans-63.4-34.9175.4-169.7-167.853.200112.2R168 P176 C179 L333 L457R168-Q172 VanDerWaalsContact NH1-NE2 3.19Å; R168-Q172 WeakPolarHBondContact O-CB 3.48Å; R168-Q172 PolarHBondContact O-N 2.87Å; Q172-P176 WeakPolarHBondContact O-CA 3.35Å; Q172-P176 WeakPolarHBondContact O-CB 3.13Å; Q172-P176 WeakPolarHBondContact O-CD 3.48Å; Q172-C179 HydrophobicContact CB-CB 4.07Å; Q172-C179 HydrophobicContact CG-CB 4.49Å; Q172-L333 PolarHBondContact NE2-O 2.79Å; Q172-L333 PolarHBondContact OE1-O 3.32Å; Q172-L457 HydrophobicContact CG-CD2 3.96Å
173Y97.8Very high95.6Very high2 Ų219.8 Ų19.81%0.00810%0.098CC..Hα-helixtrans-69.9-40.9-179.2-166.2-105.2000112.7L169 L170 L171 P305 M335 H434 Y463 V464L169-Y173 WeakPolarHBondContact O-CB 3.47Å; L169-Y173 PolarHBondContact O-N 3.45Å; L170-Y173 PolarHBondContact O-N 3.17Å; L171-Y173 VanDerWaalsContact C-N 3.3Å; L171-Y173 PolarHBondContact O-N 3.28Å; Y173-P305 HydrophobicContact CE1-CG 3.99Å; Y173-P305 HydrophobicContact CE2-CG 4.47Å; Y173-P305 WeakPolarHBondContact OH-CG 3.38Å; Y173-M335 HydrophobicContact CD2-CB 3.43Å; Y173-M335 VanDerWaalsContact CD2-CB 3.43Å; Y173-M335 HydrophobicContact CD2-CE 4.49Å; Y173-M335 HydrophobicContact CD2-CG 4.03Å; Y173-M335 HydrophobicContact CE2-CB 3.8Å; Y173-M335 HydrophobicContact CE2-CG 4.19Å; Y173-M335 HydrophobicContact CG-CB 4.15Å; Y173-M335 HydrophobicContact CG-CE 4.08Å; Y173-M335 HydrophobicContact CG-CG 4.44Å; Y173-H434 AromaticContact CE1-ND1 3.85Å; Y173-H434 AromaticContact CZ-ND1 3.73Å; Y173-H434 PolarHBondContact OH-ND1 2.96Å; Y173-Y463 HydrophobicContact CD1-CD1 4.01Å; Y173-Y463 AromaticContact CE1-CD1 3.67Å; Y173-Y463 HydrophobicContact CE1-CD1 3.67Å; Y173-Y463 HydrophobicContact CE1-CG 4.49Å; Y173-Y463 PolarHBondContact O-N 3.49Å; Y173-V464 VanDerWaalsContact CD2-O 3.32Å; Y173-V464 WeakPolarHBondContact CD2-O 3.37Å; Y173-V464 WeakPolarHBondContact CE2-O 3.28Å
174H97.2Very high95.5Very high8 Ų823.9 Ų23.94%0.03713%0.126CC..Hα-helixtrans-90.6-41-179.8-70.7-78.8000113.6L170 L231 F300 N303 T304 Y463L170-H174 PolarHBondContact O-CD2 3.24Å; L170-H174 PolarHBondContact O-N 3.05Å; H174-L231 HydrophobicContact CB-CD1 4.42Å; H174-L231 HydrophobicContact CB-CD2 4.36Å; H174-F300 HydrophobicContact CB-CE1 4.23Å; H174-F300 AromaticContact CE1-CD1 3.91Å; H174-F300 AromaticContact CG-CD1 3.93Å; H174-F300 AromaticContact ND1-CD1 3.67Å; H174-N303 PolarHBondContact CE1-O 3.04Å; H174-T304 PolarHBondContact CE1-OG1 2.98Å; H174-T304 PolarHBondContact NE2-OG1 3Å; H174-Y463 AromaticContact ND1-CE1 3.57Å
175E96.2Very high95.3Very high37 Ų3724.4 Ų24.417%0.17313%0.128CC..  trans-136.265.7-173.2-79.5-69.8-174.100111.8L171 K177 L178 C179 V235 K238L171-E175 HydrophobicContact CD1-CB 4.34Å; L171-E175 CarbonylContact O-C 3.57Å; L171-E175 WeakPolarHBondContact O-CA 3.45Å; L171-E175 PolarHBondContact O-N 2.93Å; E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 2.91Å; E175-L178 HydrophobicContact CB-CB 4.09Å; E175-L178 PolarHBondContact O-N 3.24Å; E175-C179 PolarHBondContact O-N 3.33Å; E175-V235 HydrophobicContact CB-CG2 4.35Å; E175-V235 HydrophobicContact CG-CG1 4.12Å; E175-V235 HydrophobicContact CG-CG2 3.75Å; E175-K238 WeakPolarHBondContact OE1-CD 3.48Å; E175-K238 IonicContact OE1-NZ 2.9Å; E175-K238 PolarHBondContact OE1-NZ 2.88Å; E175-K238 WeakPolarHBondContact OE2-CE 3.25Å; E175-K238 IonicContact OE2-NZ 3.35Å; E175-K238 PolarHBondContact OE2-NZ 3.01Å
176P96.2Very high95.2Very high4 Ų432 Ų323%0.02616%0.16CC..Hα-helixtrans-58-35.8-176.724-35.6000113Q172 L178 C179 S180 N460 P462Q172-P176 WeakPolarHBondContact O-CA 3.35Å; Q172-P176 WeakPolarHBondContact O-CB 3.13Å; Q172-P176 WeakPolarHBondContact O-CD 3.48Å; P176-L178 PolarHBondContact O-N 3.46Å; P176-C179 PolarHBondContact O-N 3.04Å; P176-S180 WeakPolarHBondContact O-CB 3.36Å; P176-S180 PolarHBondContact O-N 2.87Å; P176-S180 PolarHBondContact O-OG 3.3Å; P176-N460 HydrophobicContact CB-CB 4.44Å; P176-N460 HydrophobicContact CG-CB 4.29Å; P176-N460 WeakPolarHBondContact CG-O 3.43Å; P176-P462 HydrophobicContact CG-CB 4.25Å
177K95Very high95.1Very high118 Ų11832.6 Ų32.651%0.51316%0.163SC..Hα-helixtrans-59.8-36.2175.7-173.6-179.1177.8-174.20112.3E175 F181 L242 N460E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 2.91Å; K177-F181 VanDerWaalsContact O-CB 3.27Å; K177-F181 WeakPolarHBondContact O-CB 3.43Å; K177-F181 PolarHBondContact O-N 3.08Å; K177-L242 HydrophobicContact CD-CD1 4.18Å; K177-L242 HydrophobicContact CG-CD1 4.42Å; K177-N460 VanDerWaalsContact CA-OD1 3.32Å; K177-N460 WeakPolarHBondContact CA-OD1 3.49Å; K177-N460 HydrophobicContact CB-CB 4.06Å
178L94.8Very high94.9Very high0 Ų034.8 Ų34.80%018%0.178CC..Hα-helixtrans-79.9-36.8178.7-169.556.1000111.3E175 P176 F181 L182 I234 K238 L241 L242E175-L178 HydrophobicContact CB-CB 4.09Å; E175-L178 PolarHBondContact O-N 3.24Å; P176-L178 PolarHBondContact O-N 3.46Å; L178-F181 HydrophobicContact CD1-CD1 4.08Å; L178-F181 WeakPolarHBondContact O-CB 3.38Å; L178-F181 PolarHBondContact O-N 2.89Å; L178-L182 WeakPolarHBondContact O-CG 3.3Å; L178-L182 PolarHBondContact O-N 2.67Å; L178-I234 HydrophobicContact CD2-CG2 3.6Å; L178-I234 WeakPolarHBondContact CD2-O 3.28Å; L178-I234 HydrophobicContact CG-CG2 4.21Å; L178-K238 HydrophobicContact CD2-CB 3.91Å; L178-K238 HydrophobicContact CD2-CG 4.21Å; L178-L241 HydrophobicContact CD1-CB 4.12Å; L178-L241 HydrophobicContact CD1-CD1 4.05Å; L178-L242 HydrophobicContact CD1-CD2 4.23Å; L178-L242 HydrophobicContact CD1-CG 4.22Å
179C95.9Very high94.8Very high2 Ų232.7 Ų32.71%0.01417%0.171CC..Hα-helixtrans-58.9-57170.7-168.80000111.4L171 Q172 E175 P176 F181 L182 D183L171-C179 HydrophobicContact CD2-CB 4.33Å; L171-C179 HydrophobicContact CG-CB 4.13Å; Q172-C179 HydrophobicContact CB-CB 4.07Å; Q172-C179 HydrophobicContact CG-CB 4.49Å; E175-C179 PolarHBondContact O-N 3.33Å; P176-C179 PolarHBondContact O-N 3.04Å; C179-F181 PolarHBondContact O-N 2.91Å; C179-L182 PolarHBondContact O-N 2.93Å; C179-D183 WeakPolarHBondContact O-CB 3.34Å; C179-D183 VanDerWaalsContact O-CG 3.27Å; C179-D183 PolarHBondContact O-N 2.73Å; C179-D183 VanDerWaalsContact O-OD2 3.11Å; C179-D183 PolarHBondContact SG-OD2 2.69Å
180S94.2Very high94.6Very high44 Ų4437.8 Ų37.831%0.30820%0.195SC..Hα-helixtrans-62.7-27.2-179.2-650000113.4P176 S184P176-S180 WeakPolarHBondContact O-CB 3.36Å; P176-S180 PolarHBondContact O-N 2.87Å; P176-S180 PolarHBondContact O-OG 3.3Å; S180-S184 WeakPolarHBondContact O-CB 3.24Å; S180-S184 PolarHBondContact O-N 3.32Å
181F93.6Very high94.4Very high28 Ų2838.6 Ų38.612%0.12320%0.201CC..Hα-helixtrans-63.8-54.9167.9170-107.1000111.7K177 L178 C179 D183 S184 L185 L241 L242 Q244K177-F181 VanDerWaalsContact O-CB 3.27Å; K177-F181 WeakPolarHBondContact O-CB 3.43Å; K177-F181 PolarHBondContact O-N 3.08Å; L178-F181 HydrophobicContact CD1-CD1 4.08Å; L178-F181 WeakPolarHBondContact O-CB 3.38Å; L178-F181 PolarHBondContact O-N 2.89Å; C179-F181 PolarHBondContact O-N 2.91Å; F181-D183 VanDerWaalsContact C-N 3.34Å; F181-D183 PolarHBondContact O-N 3.06Å; F181-S184 WeakPolarHBondContact O-CB 3.25Å; F181-S184 PolarHBondContact O-N 3.21Å; F181-S184 VanDerWaalsContact O-N 3.1Å; F181-S184 PolarHBondContact O-OG 3.33Å; F181-L185 HydrophobicContact CE1-CD1 3.8Å; F181-L185 HydrophobicContact CE2-CD1 4Å; F181-L185 HydrophobicContact CE2-CD2 4.32Å; F181-L185 HydrophobicContact CE2-CG 4.22Å; F181-L185 HydrophobicContact CZ-CD1 3.51Å; F181-L185 HydrophobicContact CZ-CG 4.23Å; F181-L185 PolarHBondContact O-N 3.2Å; F181-L185 VanDerWaalsContact O-N 3.12Å; F181-L241 HydrophobicContact CE1-CB 4.16Å; F181-L241 WeakPolarHBondContact CE1-O 3.11Å; F181-L241 VanDerWaalsContact CZ-O 3.22Å; F181-L241 WeakPolarHBondContact CZ-O 3.45Å; F181-L242 HydrophobicContact CB-CD2 3.85Å; F181-L242 HydrophobicContact CD1-CD2 3.95Å; F181-L242 HydrophobicContact CD2-CD2 4.07Å; F181-L242 HydrophobicContact CG-CD2 3.67Å; F181-Q244 VanDerWaalsContact CZ-NE2 3.3Å
182L93.8Very high94.2Very high2 Ų238.6 Ų38.61%0.0120%0.2CC..Hα-helixtrans-63.2-38.4178.8-63.5179.5000112.5L171 L178 C179 S184 L185 K186 I187 Y192 V274 I278L171-L182 HydrophobicContact CD2-CD1 4.02Å; L178-L182 WeakPolarHBondContact O-CG 3.3Å; L178-L182 PolarHBondContact O-N 2.67Å; C179-L182 PolarHBondContact O-N 2.93Å; L182-S184 VanDerWaalsContact C-N 3.3Å; L182-S184 PolarHBondContact O-N 2.89Å; L182-L185 CarbonylContact O-C 3.55Å; L182-L185 PolarHBondContact O-N 3.11Å; L182-K186 PolarHBondContact O-N 2.82Å; L182-I187 PolarHBondContact O-N 3.26Å; L182-Y192 HydrophobicContact CD1-CE1 4.34Å; L182-V274 HydrophobicContact CD2-CG1 4.48Å; L182-I278 HydrophobicContact CD1-CD1 4.37Å; L182-I278 HydrophobicContact CD2-CD1 3.63Å
183D92.9Very high94.2Very high65 Ų6537.8 Ų37.835%0.34820%0.197SC..Hα-helixtrans-59.8-39.7173.3-67.5-43.4000110.9C179 F181 K186C179-D183 WeakPolarHBondContact O-CB 3.34Å; C179-D183 VanDerWaalsContact O-CG 3.27Å; C179-D183 PolarHBondContact O-N 2.73Å; C179-D183 VanDerWaalsContact O-OD2 3.11Å; C179-D183 PolarHBondContact SG-OD2 2.69Å; F181-D183 VanDerWaalsContact C-N 3.34Å; F181-D183 PolarHBondContact O-N 3.06Å; D183-K186 WeakPolarHBondContact O-CA 3.29Å; D183-K186 PolarHBondContact O-N 2.61Å
184S91.7Very high94Very high85 Ų8538.6 Ų38.659%0.59420%0.201SC*.Hα-helixtrans-67.4-33.4176.378.50000113.3S180 F181 L182 K186S180-S184 WeakPolarHBondContact O-CB 3.24Å; S180-S184 PolarHBondContact O-N 3.32Å; F181-S184 WeakPolarHBondContact O-CB 3.25Å; F181-S184 PolarHBondContact O-N 3.21Å; F181-S184 VanDerWaalsContact O-N 3.1Å; F181-S184 PolarHBondContact O-OG 3.33Å; L182-S184 VanDerWaalsContact C-N 3.3Å; L182-S184 PolarHBondContact O-N 2.89Å; S184-K186 PolarHBondContact O-N 2.89Å
185L90.4Very high93.8Very high22 Ų2240.2 Ų40.212%0.11521%0.212CC..THydrogen-bonded Turntrans-78.6-4.6171-56.4-174000112.8F181 L182 I187 F270 F271 V274F181-L185 HydrophobicContact CE1-CD1 3.8Å; F181-L185 HydrophobicContact CE2-CD1 4Å; F181-L185 HydrophobicContact CE2-CD2 4.32Å; F181-L185 HydrophobicContact CE2-CG 4.22Å; F181-L185 HydrophobicContact CZ-CD1 3.51Å; F181-L185 HydrophobicContact CZ-CG 4.23Å; F181-L185 PolarHBondContact O-N 3.2Å; F181-L185 VanDerWaalsContact O-N 3.12Å; L182-L185 CarbonylContact O-C 3.55Å; L182-L185 PolarHBondContact O-N 3.11Å; L185-I187 HydrophobicContact CB-CD1 3.84Å; L185-I187 HydrophobicContact CB-CG1 3.78Å; L185-I187 HydrophobicContact CD1-CD1 3.81Å; L185-I187 PolarHBondContact O-N 3.47Å; L185-F270 HydrophobicContact CD1-CE1 4.15Å; L185-F270 HydrophobicContact CD2-CE1 4.2Å; L185-F271 HydrophobicContact CB-CD1 3.88Å; L185-F271 HydrophobicContact CB-CE1 4.14Å; L185-F271 HydrophobicContact CD2-CD1 3.88Å; L185-F271 HydrophobicContact CD2-CE1 3.65Å; L185-F271 HydrophobicContact CG-CD1 4.32Å; L185-F271 HydrophobicContact CG-CE1 4.44Å; L185-V274 HydrophobicContact CD1-CB 4.42Å; L185-V274 HydrophobicContact CD1-CG1 4Å; L185-V274 HydrophobicContact CD1-CG2 4.39Å
186K92Very high93.8Very high188 Ų18838.5 Ų38.582%0.81720%0.204SC*.THydrogen-bonded Turntrans59.724.3-172.7-53.4175.6-176170.60114.4L182 D183 S184 S188L182-K186 PolarHBondContact O-N 2.82Å; D183-K186 WeakPolarHBondContact O-CA 3.29Å; D183-K186 PolarHBondContact O-N 2.61Å; S184-K186 PolarHBondContact O-N 2.89Å; K186-S188 PolarHBondContact O-N 3.01Å
187I92.8Very high93.7Very high12 Ų1238.7 Ų38.76%0.06221%0.205CC..  trans-87.587.5179.6-56.9177.8000108.7L182 L185 S191 Y192 V274L182-I187 PolarHBondContact O-N 3.26Å; L185-I187 HydrophobicContact CB-CD1 3.84Å; L185-I187 HydrophobicContact CB-CG1 3.78Å; L185-I187 HydrophobicContact CD1-CD1 3.81Å; L185-I187 PolarHBondContact O-N 3.47Å; I187-S191 WeakPolarHBondContact CG2-OG 3.41Å; I187-Y192 HydrophobicContact CG2-CD1 3.75Å; I187-Y192 HydrophobicContact CG2-CE1 3.88Å; I187-V274 HydrophobicContact CD1-CB 4Å; I187-V274 HydrophobicContact CD1-CG1 3.66Å
188S92.5Very high93.6Very high46 Ų4633.7 Ų33.732%0.32218%0.184SC..  trans-69.2151.9177.763.10000112K186 E190 S191 Y192K186-S188 PolarHBondContact O-N 3.01Å; S188-E190 PolarHBondContact O-N 3.4Å; S188-S191 WeakPolarHBondContact O-CB 3.28Å; S188-S191 PolarHBondContact O-N 2.95Å; S188-S191 PolarHBondContact O-OG 3.42Å; S188-Y192 WeakPolarHBondContact O-CD1 3.15Å; S188-Y192 WeakPolarHBondContact O-CE1 3.43Å
189P95Very high93.6Very high4 Ų433.7 Ų33.73%0.02618%0.184CC..G310 helixtrans-59.7-26.4175.4-2433.9000114.3F167 R168 S191 Y192 F193F167-P189 HydrophobicContact CB-CB 4.24Å; F167-P189 HydrophobicContact CD1-CB 3.75Å; F167-P189 HydrophobicContact CD1-CG 3.89Å; F167-P189 HydrophobicContact CG-CB 4.34Å; R168-P189 HydrophobicContact CB-CG 4.08Å; P189-S191 PolarHBondContact O-N 2.91Å; P189-S191 VanDerWaalsContact O-N 3.12Å; P189-Y192 HydrophobicContact CB-CE2 4.2Å; P189-Y192 PolarHBondContact O-N 3.14Å; P189-Y192 VanDerWaalsContact O-N 3.15Å; P189-F193 HydrophobicContact CB-CB 4.12Å; P189-F193 WeakPolarHBondContact O-CA 3.48Å; P189-F193 WeakPolarHBondContact O-CB 3.11Å; P189-F193 PolarHBondContact O-N 3.23Å
190E92.9Very high93.6Very high107 Ų10733.7 Ų33.750%0.518%0.184SC..G310 helixtrans-48.2-35.8168.3-165.2177.2165.400112.9S164 S188S164-E190 PolarHBondContact OG-N 3.1Å; S188-E190 PolarHBondContact O-N 3.4Å
191S92.6Very high93.7Very high18 Ų1831.6 Ų31.613%0.12617%0.17CC..G310 helixtrans-78.9-15.4-175.975.10000115.6I187 S188 P189 R275I187-S191 WeakPolarHBondContact CG2-OG 3.41Å; S188-S191 WeakPolarHBondContact O-CB 3.28Å; S188-S191 PolarHBondContact O-N 2.95Å; S188-S191 PolarHBondContact O-OG 3.42Å; P189-S191 PolarHBondContact O-N 2.91Å; P189-S191 VanDerWaalsContact O-N 3.12Å; S191-R275 PolarHBondContact O-NE 3.22Å; S191-R275 VanDerWaalsContact O-NE 3.1Å; S191-R275 PolarHBondContact O-NH2 3.44Å
192Y94.1Very high93.7Very high2 Ų230.9 Ų30.91%0.00817%0.169CC..THydrogen-bonded Turntrans-140.9-34.8-173.962.3-104.7000115.7F167 L182 I187 S188 P189 I234 I278F167-Y192 HydrophobicContact CD1-CE2 4.44Å; F167-Y192 AromaticContact CE1-CE2 3.95Å; F167-Y192 HydrophobicContact CE1-CE2 3.95Å; L182-Y192 HydrophobicContact CD1-CE1 4.34Å; I187-Y192 HydrophobicContact CG2-CD1 3.75Å; I187-Y192 HydrophobicContact CG2-CE1 3.88Å; S188-Y192 WeakPolarHBondContact O-CD1 3.15Å; S188-Y192 WeakPolarHBondContact O-CE1 3.43Å; P189-Y192 HydrophobicContact CB-CE2 4.2Å; P189-Y192 PolarHBondContact O-N 3.14Å; P189-Y192 VanDerWaalsContact O-N 3.15Å; Y192-I234 HydrophobicContact CD2-CD1 3.93Å; Y192-I234 HydrophobicContact CE2-CD1 3.26Å; Y192-I278 HydrophobicContact CD1-CG2 4.1Å; Y192-I278 HydrophobicContact CD2-CG2 3.69Å; Y192-I278 HydrophobicContact CE2-CG2 4.31Å; Y192-I278 HydrophobicContact CG-CG2 3.61Å
193F96.4Very high93.7Very high0 Ų034.6 Ų34.60%019%0.189CC..Hα-helixtrans-86.8-32.1-176.4-178.9-101.6000112.5V163 F167 P189 W196 M197 V226 F227V163-F193 HydrophobicContact CG1-CD1 3.8Å; V163-F193 HydrophobicContact CG1-CE1 3.64Å; F167-F193 HydrophobicContact CB-CD1 3.95Å; F167-F193 HydrophobicContact CB-CE1 4.13Å; F167-F193 HydrophobicContact CB-CG 4.4Å; F167-F193 HydrophobicContact CD1-CB 4.42Å; F167-F193 HydrophobicContact CD1-CD2 4.47Å; F167-F193 HydrophobicContact CD1-CG 4.24Å; F167-F193 AromaticContact CD2-CD1 3.82Å; F167-F193 HydrophobicContact CD2-CD1 3.82Å; F167-F193 AromaticContact CD2-CD2 3.5Å; F167-F193 HydrophobicContact CD2-CD2 3.5Å; F167-F193 AromaticContact CD2-CE1 3.71Å; F167-F193 HydrophobicContact CD2-CE1 3.71Å; F167-F193 AromaticContact CD2-CE2 3.41Å; F167-F193 HydrophobicContact CD2-CE2 3.41Å; F167-F193 VanDerWaalsContact CD2-CE2 3.41Å; F167-F193 AromaticContact CD2-CG 3.73Å; F167-F193 HydrophobicContact CD2-CG 3.73Å; F167-F193 AromaticContact CD2-CZ 3.51Å; F167-F193 HydrophobicContact CD2-CZ 3.51Å; F167-F193 HydrophobicContact CE1-CD2 4.39Å; F167-F193 AromaticContact CE2-CD2 3.41Å; F167-F193 HydrophobicContact CE2-CD2 3.41Å; F167-F193 VanDerWaalsContact CE2-CD2 3.41Å; F167-F193 AromaticContact CE2-CE2 3.38Å; F167-F193 HydrophobicContact CE2-CE2 3.38Å; F167-F193 HydrophobicContact CE2-CG 4.06Å; F167-F193 AromaticContact CE2-CZ 3.97Å; F167-F193 HydrophobicContact CE2-CZ 3.97Å; F167-F193 HydrophobicContact CG-CB 4.45Å; F167-F193 AromaticContact CG-CD1 3.86Å; F167-F193 HydrophobicContact CG-CD1 3.86Å; F167-F193 HydrophobicContact CG-CD2 4.06Å; F167-F193 HydrophobicContact CG-CE1 4.12Å; F167-F193 HydrophobicContact CG-CE2 4.33Å; F167-F193 AromaticContact CG-CG 3.84Å; F167-F193 HydrophobicContact CG-CG 3.84Å; F167-F193 HydrophobicContact CG-CZ 4.36Å; F167-F193 AromaticContact CZ-CD2 3.89Å; F167-F193 HydrophobicContact CZ-CD2 3.89Å; F167-F193 HydrophobicContact CZ-CE2 4.28Å; F167-F193 HydrophobicContact CZ-CG 4.45Å; P189-F193 HydrophobicContact CB-CB 4.12Å; P189-F193 WeakPolarHBondContact O-CA 3.48Å; P189-F193 WeakPolarHBondContact O-CB 3.11Å; P189-F193 PolarHBondContact O-N 3.23Å; F193-W196 AromaticContact CD2-CE3 3.78Å; F193-W196 HydrophobicContact CD2-CE3 3.78Å; F193-W196 HydrophobicContact CD2-CZ3 4.29Å; F193-W196 HydrophobicContact CE2-CE3 4.47Å; F193-W196 WeakPolarHBondContact O-CB 3.32Å; F193-W196 PolarHBondContact O-N 3.18Å; F193-M197 HydrophobicContact CE1-CB 4.34Å; F193-M197 PolarHBondContact O-N 3.47Å; F193-V226 HydrophobicContact CE2-CG2 4.44Å; F193-V226 WeakPolarHBondContact CE2-O 3.44Å; F193-V226 HydrophobicContact CZ-CG1 4.38Å; F193-V226 HydrophobicContact CZ-CG2 4.2Å; F193-F227 HydrophobicContact CE1-CD1 4.04Å; F193-F227 AromaticContact CE1-CE1 3.84Å; F193-F227 HydrophobicContact CE1-CE1 3.84Å; F193-F227 HydrophobicContact CE1-CG 4.47Å; F193-F227 HydrophobicContact CE1-CZ 4.12Å; F193-F227 HydrophobicContact CZ-CB 4.5Å; F193-F227 AromaticContact CZ-CD1 4Å; F193-F227 HydrophobicContact CZ-CD1 4Å; F193-F227 HydrophobicContact CZ-CD2 4.38Å; F193-F227 HydrophobicContact CZ-CE1 4.23Å; F193-F227 HydrophobicContact CZ-CG 4.05Å
194I94.4Very high93.7Very high18 Ų1832.9 Ų32.99%0.09218%0.179CC..Hα-helixtrans-61.3-47.7176.2-62.7-64.8000111.9D160 V163 W196 M197 S198D160-I194 HydrophobicContact CB-CD1 4.01Å; D160-I194 HydrophobicContact CB-CG1 4.19Å; D160-I194 HydrophobicContact CB-CG2 4.48Å; V163-I194 HydrophobicContact CB-CD1 3.71Å; V163-I194 HydrophobicContact CG1-CD1 3.45Å; V163-I194 VanDerWaalsContact CG1-CD1 3.45Å; I194-W196 VanDerWaalsContact C-N 3.31Å; I194-W196 PolarHBondContact O-N 3.34Å; I194-M197 HydrophobicContact CD1-CE 4.22Å; I194-M197 PolarHBondContact O-N 3.43Å; I194-S198 PolarHBondContact O-N 3.49Å; I194-S198 PolarHBondContact O-OG 3.38Å
195P93.4Very high93.8Very high43 Ų4329.3 Ų29.328%0.27915%0.153SC..Hα-helixtrans-55.1-43.8174.6-26.735000113.3M197 F204P195-M197 VanDerWaalsContact C-N 3.35Å; P195-M197 PolarHBondContact O-N 3.24Å; P195-F204 HydrophobicContact CB-CE2 3.85Å; P195-F204 HydrophobicContact CB-CZ 3.54Å; P195-F204 WeakPolarHBondContact O-CE2 3.49Å
196W95.9Very high94Very high0 Ų030.9 Ų30.90%017%0.165CC..Hα-helixtrans-61.3-40.8175.4-64.8-12.7000113F193 I194 L200 F201 F204 L233 I234 I278 I279 L281 P282F193-W196 AromaticContact CD2-CE3 3.78Å; F193-W196 HydrophobicContact CD2-CE3 3.78Å; F193-W196 HydrophobicContact CD2-CZ3 4.29Å; F193-W196 HydrophobicContact CE2-CE3 4.47Å; F193-W196 WeakPolarHBondContact O-CB 3.32Å; F193-W196 PolarHBondContact O-N 3.18Å; I194-W196 VanDerWaalsContact C-N 3.31Å; I194-W196 PolarHBondContact O-N 3.34Å; W196-L200 CarbonylContact O-C 3.59Å; W196-L200 WeakPolarHBondContact O-CA 3.28Å; W196-L200 PolarHBondContact O-N 3.15Å; W196-F201 HydrophobicContact CB-CD1 3.82Å; W196-F201 HydrophobicContact CB-CE1 3.59Å; W196-F201 HydrophobicContact CB-CZ 4.14Å; W196-F201 HydrophobicContact CD2-CD1 4.35Å; W196-F201 AromaticContact CD2-CE1 3.67Å; W196-F201 HydrophobicContact CD2-CE1 3.67Å; W196-F201 AromaticContact CE3-CE1 3.79Å; W196-F201 HydrophobicContact CE3-CE1 3.79Å; W196-F201 HydrophobicContact CE3-CZ 4.26Å; W196-F201 AromaticContact CG-CD1 3.92Å; W196-F201 HydrophobicContact CG-CD1 3.92Å; W196-F201 AromaticContact CG-CE1 3.63Å; W196-F201 HydrophobicContact CG-CE1 3.63Å; W196-F201 PolarHBondContact O-N 3.07Å; W196-F204 AromaticContact CD1-CD2 3.68Å; W196-F204 AromaticContact CD1-CE2 3.93Å; W196-F204 AromaticContact CD1-CG 3.74Å; W196-L233 HydrophobicContact CE3-CD1 4.49Å; W196-L233 HydrophobicContact CH2-CB 4.1Å; W196-L233 HydrophobicContact CH2-CD1 4.02Å; W196-L233 HydrophobicContact CZ2-CD1 4.34Å; W196-L233 HydrophobicContact CZ3-CB 4.44Å; W196-L233 HydrophobicContact CZ3-CD1 4.12Å; W196-I234 HydrophobicContact CH2-CD1 4.27Å; W196-I234 HydrophobicContact CH2-CG1 4.07Å; W196-I234 HydrophobicContact CZ3-CD1 4.19Å; W196-I234 HydrophobicContact CZ3-CG1 4.33Å; W196-I278 HydrophobicContact CH2-CG2 4.36Å; W196-I278 WeakPolarHBondContact CZ2-O 3.27Å; W196-I279 PolarHBondContact NE1-O 3.24Å; W196-I279 VanDerWaalsContact NE1-O 3.13Å; W196-L281 HydrophobicContact CH2-CB 4.45Å; W196-L281 HydrophobicContact CH2-CD1 4.48Å; W196-L281 HydrophobicContact CZ2-CB 4.19Å; W196-P282 HydrophobicContact CD2-CG 4.27Å; W196-P282 HydrophobicContact CG-CG 4.44Å; W196-P282 HydrophobicContact CZ2-CG 3.89Å
197M94.6Very high93.8Very high8 Ų824.1 Ų24.14%0.03914%0.137CC..Hα-helixtrans-72.9-42.1-178.9-171-163.26500111.8A154 V163 F193 I194 P195 S199 L200 V226A154-M197 HydrophobicContact CB-CE 3.92Å; A154-M197 HydrophobicContact CB-SD 3.95Å; V163-M197 HydrophobicContact CB-CE 4.5Å; V163-M197 HydrophobicContact CB-SD 4.42Å; V163-M197 HydrophobicContact CG1-CE 4.12Å; V163-M197 HydrophobicContact CG1-SD 3.68Å; V163-M197 HydrophobicContact CG2-CE 3.98Å; V163-M197 HydrophobicContact CG2-SD 3.88Å; F193-M197 HydrophobicContact CE1-CB 4.34Å; F193-M197 PolarHBondContact O-N 3.47Å; I194-M197 HydrophobicContact CD1-CE 4.22Å; I194-M197 PolarHBondContact O-N 3.43Å; P195-M197 VanDerWaalsContact C-N 3.35Å; P195-M197 PolarHBondContact O-N 3.24Å; M197-S199 PolarHBondContact O-N 2.97Å; M197-L200 PolarHBondContact O-N 3.3Å; M197-L200 VanDerWaalsContact O-N 3.11Å; M197-V226 HydrophobicContact CB-CG2 4.19Å; M197-V226 HydrophobicContact CG-CG1 4.16Å; M197-V226 HydrophobicContact CG-CG2 4.11Å
198S92.9Very high93.6Very high13 Ų1329.1 Ų29.19%0.09116%0.163CC..Hα-helixtrans-55.3-44.7-176.2-71.10000113.3S119 I125 I194S119-S198 WeakPolarHBondContact O-CB 3.33Å; S119-S198 PolarHBondContact O-OG 3.05Å; I125-S198 VanDerWaalsContact CD1-O 3.32Å; I125-S198 WeakPolarHBondContact CD1-O 3.39Å; I194-S198 PolarHBondContact O-N 3.49Å; I194-S198 PolarHBondContact O-OG 3.38Å
199S93.5Very high93.7Very high0 Ų027.2 Ų27.20%015%0.15CC..THydrogen-bonded Turntrans-100.47.7177.361.40000114.3M197 F201 A202 D203M197-S199 PolarHBondContact O-N 2.97Å; S199-F201 VanDerWaalsContact C-N 3.27Å; S199-F201 PolarHBondContact O-N 2.93Å; S199-A202 WeakPolarHBondContact O-CB 3.38Å; S199-A202 PolarHBondContact O-N 3.25Å; S199-A202 PolarHBondContact OG-N 3.26Å; S199-D203 WeakPolarHBondContact CB-OD2 3.35Å; S199-D203 VanDerWaalsContact OG-CG 3.25Å; S199-D203 PolarHBondContact OG-N 3.05Å; S199-D203 PolarHBondContact OG-OD2 2.9Å
200L95.5Very high93.7Very high2 Ų227.2 Ų27.21%0.0115%0.15CC..THydrogen-bonded Turntrans48.748.5-173-153.371.1000112.6F148 F152 W196 M197 A202 W214 Y217 V226F148-L200 HydrophobicContact CE2-CD2 3.92Å; F148-L200 HydrophobicContact CZ-CB 3.89Å; F148-L200 HydrophobicContact CZ-CD2 3.61Å; F148-L200 HydrophobicContact CZ-CG 4.38Å; F152-L200 HydrophobicContact CB-CD2 4.17Å; F152-L200 HydrophobicContact CG-CD2 4.46Å; W196-L200 CarbonylContact O-C 3.59Å; W196-L200 WeakPolarHBondContact O-CA 3.28Å; W196-L200 PolarHBondContact O-N 3.15Å; M197-L200 PolarHBondContact O-N 3.3Å; M197-L200 VanDerWaalsContact O-N 3.11Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 2.91Å; L200-W214 HydrophobicContact CB-CZ2 4.21Å; L200-W214 PolarHBondContact O-NE1 3.47Å; L200-W214 VanDerWaalsContact O-NE1 3.07Å; L200-Y217 HydrophobicContact CD1-CD1 4.31Å; L200-Y217 HydrophobicContact CD1-CE1 3.63Å; L200-Y217 HydrophobicContact CD1-CE2 4.3Å; L200-Y217 HydrophobicContact CD2-CD1 4Å; L200-Y217 HydrophobicContact CD2-CD2 3.95Å; L200-Y217 HydrophobicContact CD2-CE1 4.07Å; L200-Y217 HydrophobicContact CD2-CE2 4.02Å; L200-Y217 HydrophobicContact CD2-CG 3.91Å; L200-Y217 HydrophobicContact CG-CD1 4.48Å; L200-Y217 HydrophobicContact CG-CD2 4.34Å; L200-Y217 HydrophobicContact CG-CE1 4.06Å; L200-Y217 HydrophobicContact CG-CE2 3.89Å; L200-V226 HydrophobicContact CD1-CB 4.16Å; L200-V226 HydrophobicContact CD1-CG2 4.16Å
201F96Very high93.8Very high0 Ų022.7 Ų22.70%013%0.13CC..THydrogen-bonded Turntrans67.54.6-173.9-58-87000117.4W196 S199 D203 F204 I205 I210 L213 Y217 V226 I229 L233 P282W196-F201 HydrophobicContact CB-CD1 3.82Å; W196-F201 HydrophobicContact CB-CE1 3.59Å; W196-F201 HydrophobicContact CB-CZ 4.14Å; W196-F201 HydrophobicContact CD2-CD1 4.35Å; W196-F201 AromaticContact CD2-CE1 3.67Å; W196-F201 HydrophobicContact CD2-CE1 3.67Å; W196-F201 AromaticContact CE3-CE1 3.79Å; W196-F201 HydrophobicContact CE3-CE1 3.79Å; W196-F201 HydrophobicContact CE3-CZ 4.26Å; W196-F201 AromaticContact CG-CD1 3.92Å; W196-F201 HydrophobicContact CG-CD1 3.92Å; W196-F201 AromaticContact CG-CE1 3.63Å; W196-F201 HydrophobicContact CG-CE1 3.63Å; W196-F201 PolarHBondContact O-N 3.07Å; S199-F201 VanDerWaalsContact C-N 3.27Å; S199-F201 PolarHBondContact O-N 2.93Å; F201-D203 VanDerWaalsContact C-N 3.29Å; F201-D203 PolarHBondContact O-N 3.33Å; F201-F204 PolarHBondContact O-N 3.2Å; F201-I205 HydrophobicContact CB-CD1 3.54Å; F201-I205 HydrophobicContact CB-CG1 4.02Å; F201-I205 HydrophobicContact CD1-CD1 4.38Å; F201-I205 HydrophobicContact CG-CD1 4.08Å; F201-I205 PolarHBondContact O-N 3.24Å; F201-I210 HydrophobicContact CB-CD1 4.39Å; F201-L213 HydrophobicContact CB-CD2 4.27Å; F201-L213 HydrophobicContact CD2-CD2 4.29Å; F201-Y217 WeakPolarHBondContact CE2-OH 3.45Å; F201-V226 HydrophobicContact CE2-CG2 3.84Å; F201-V226 HydrophobicContact CZ-CG2 4.37Å; F201-I229 HydrophobicContact CD2-CG2 4.46Å; F201-I229 HydrophobicContact CE1-CG2 4.18Å; F201-I229 HydrophobicContact CE2-CB 3.93Å; F201-I229 HydrophobicContact CE2-CD1 4.29Å; F201-I229 HydrophobicContact CE2-CG2 3.6Å; F201-I229 HydrophobicContact CZ-CB 3.96Å; F201-I229 HydrophobicContact CZ-CG2 3.44Å; F201-I229 VanDerWaalsContact CZ-CG2 3.44Å; F201-L233 HydrophobicContact CE1-CD1 3.7Å; F201-L233 HydrophobicContact CZ-CD1 4.23Å; F201-P282 HydrophobicContact CD1-CB 4.03Å; F201-P282 HydrophobicContact CD1-CG 3.81Å; F201-P282 HydrophobicContact CE1-CG 4.07Å
202A94.7Very high93.9Very high13 Ų1322.9 Ų22.911%0.10713%0.131CC..THydrogen-bonded Turntrans-63.5-26.2-175.100000114.9V128 S199 L200 F204 I210 W214V128-A202 HydrophobicContact CG2-CB 3.97Å; S199-A202 WeakPolarHBondContact O-CB 3.38Å; S199-A202 PolarHBondContact O-N 3.25Å; S199-A202 PolarHBondContact OG-N 3.26Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 2.91Å; A202-F204 VanDerWaalsContact C-N 3.32Å; A202-I210 HydrophobicContact CB-CD1 4.4Å; A202-I210 HydrophobicContact CB-CG1 4.21Å; A202-W214 HydrophobicContact CB-CZ2 4.35Å
203D93Very high94Very high80 Ų8022.8 Ų22.843%0.42813%0.13SC..THydrogen-bonded Turntrans-82.2-8.8175.5-44.1-53.3000113.7S124 S199 F201S124-D203 WeakPolarHBondContact CB-OD1 3.33Å; S124-D203 PolarHBondContact OG-OD1 3.29Å; S199-D203 WeakPolarHBondContact CB-OD2 3.35Å; S199-D203 VanDerWaalsContact OG-CG 3.25Å; S199-D203 PolarHBondContact OG-N 3.05Å; S199-D203 PolarHBondContact OG-OD2 2.9Å; F201-D203 VanDerWaalsContact C-N 3.29Å; F201-D203 PolarHBondContact O-N 3.33Å
204F93.8Very high94Very high30 Ų3022.8 Ų22.813%0.13213%0.13CC..THydrogen-bonded Turntrans-121.9-12.5-165.3-60.1-82000114.4P195 W196 F201 A202 I279 P282 K283P195-F204 HydrophobicContact CB-CE2 3.85Å; P195-F204 HydrophobicContact CB-CZ 3.54Å; P195-F204 WeakPolarHBondContact O-CE2 3.49Å; W196-F204 AromaticContact CD1-CD2 3.68Å; W196-F204 AromaticContact CD1-CE2 3.93Å; W196-F204 AromaticContact CD1-CG 3.74Å; F201-F204 PolarHBondContact O-N 3.2Å; A202-F204 VanDerWaalsContact C-N 3.32Å; F204-I279 HydrophobicContact CD1-CG2 4.11Å; F204-I279 HydrophobicContact CE1-CG2 3.53Å; F204-I279 HydrophobicContact CZ-CG2 4.46Å; F204-P282 HydrophobicContact CB-CB 3.86Å; F204-P282 HydrophobicContact CB-CG 3.81Å; F204-P282 CarbonylContact O-C 3.56Å; F204-K283 VanDerWaalsContact O-CA 3.25Å; F204-K283 WeakPolarHBondContact O-CA 3.49Å; F204-K283 VanDerWaalsContact O-CG 3.28Å; F204-K283 WeakPolarHBondContact O-CG 3.24Å; F204-K283 PolarHBondContact O-N 3.41Å
205I94.6Very high94Very high10 Ų1022.2 Ų22.25%0.05113%0.128CC..SBendtrans-118.8145.6-177.1-66.6-179.1000109.1F201 V209 I210 L213 P282 M285F201-I205 HydrophobicContact CB-CD1 3.54Å; F201-I205 HydrophobicContact CB-CG1 4.02Å; F201-I205 HydrophobicContact CD1-CD1 4.38Å; F201-I205 HydrophobicContact CG-CD1 4.08Å; F201-I205 PolarHBondContact O-N 3.24Å; I205-V209 HydrophobicContact CG2-CB 3.68Å; I205-V209 HydrophobicContact CG2-CG1 3.74Å; I205-I210 HydrophobicContact CG2-CB 4.47Å; I205-L213 HydrophobicContact CD1-CD2 3.48Å; I205-L213 VanDerWaalsContact CD1-CD2 3.48Å; I205-P282 HydrophobicContact CD1-CB 4.05Å; I205-P282 HydrophobicContact CG1-CB 3.55Å; I205-M285 HydrophobicContact CD1-CE 4.04Å; I205-M285 HydrophobicContact CD1-SD 3.85Å
206S92.6Very high94Very high55 Ų5521 Ų2139%0.38512%0.119SC..  trans-58.4144.7178.258.90000112.5D208 V209 I210S206-D208 PolarHBondContact O-N 3.46Å; S206-V209 PolarHBondContact O-N 3.43Å; S206-V209 VanDerWaalsContact OG-CG2 3.22Å; S206-V209 WeakPolarHBondContact OG-CG2 3.35Å; S206-I210 PolarHBondContact O-N 3.28Å; S206-I210 VanDerWaalsContact O-N 3.14Å
207E88.3Confident93.9Very high45 Ų4521 Ų2121%0.2112%0.119CC..THydrogen-bonded Turntrans-70-5.3-169.5-50.4-151.4123.300115.5R55 K127R55-E207 VanDerWaalsContact CD-OE2 3.23Å; R55-E207 WeakPolarHBondContact CD-OE2 3.39Å; R55-E207 IonicContact CZ-OE2 3.61Å; R55-E207 VanDerWaalsContact CZ-OE2 3.3Å; R55-E207 IonicContact NE-OE2 2.71Å; R55-E207 PolarHBondContact NH1-O 3.01Å; R55-E207 IonicContact NH1-OE2 2.73Å; R55-E207 PolarHBondContact NH1-OE2 3.26Å; R55-E207 PolarHBondContact NH2-O 3.15Å; K127-E207 WeakPolarHBondContact CE-OE1 3.4Å; K127-E207 IonicContact NZ-OE1 2.91Å; K127-E207 PolarHBondContact NZ-OE1 3.44Å
208D89.2Confident93.9Very high117 Ų11720.8 Ų20.863%0.62612%0.118SC*.THydrogen-bonded Turntrans-92.8-23.5174.3-56.6-38.1000111.7R55 S206R55-D208 IonicContact NH2-OD1 2.76Å; R55-D208 PolarHBondContact NH2-OD1 3Å; S206-D208 PolarHBondContact O-N 3.46Å
209V94.4Very high93.9Very high7 Ų723.9 Ų23.94%0.04213%0.133CC..THydrogen-bonded Turntrans-92.3-35-179.2179.80000111I205 S206 P211 S212 L213 M285 V287 L290I205-V209 HydrophobicContact CG2-CB 3.68Å; I205-V209 HydrophobicContact CG2-CG1 3.74Å; S206-V209 PolarHBondContact O-N 3.43Å; S206-V209 VanDerWaalsContact OG-CG2 3.22Å; S206-V209 WeakPolarHBondContact OG-CG2 3.35Å; V209-P211 VanDerWaalsContact C-CD 3.4Å; V209-S212 WeakPolarHBondContact O-CB 3.43Å; V209-S212 PolarHBondContact O-N 3.05Å; V209-L213 PolarHBondContact O-N 2.85Å; V209-M285 HydrophobicContact CG1-CG 4.34Å; V209-V287 HydrophobicContact CB-CG2 4.47Å; V209-V287 HydrophobicContact CG2-CG2 3.87Å; V209-L290 HydrophobicContact CG1-CD1 4.34Å
210I95.5Very high93.8Very high4 Ų426.6 Ų26.62%0.02115%0.145CC..Hα-helixtrans-55.9-37.2-178.3-165.164.3000114.6V128 F201 A202 I205 S206 S212 L213 W214V128-I210 HydrophobicContact CG1-CG2 4.38Å; V128-I210 HydrophobicContact CG2-CG1 4.22Å; V128-I210 HydrophobicContact CG2-CG2 3.98Å; F201-I210 HydrophobicContact CB-CD1 4.39Å; A202-I210 HydrophobicContact CB-CD1 4.4Å; A202-I210 HydrophobicContact CB-CG1 4.21Å; I205-I210 HydrophobicContact CG2-CB 4.47Å; S206-I210 PolarHBondContact O-N 3.28Å; S206-I210 VanDerWaalsContact O-N 3.14Å; I210-S212 PolarHBondContact O-N 3.44Å; I210-L213 HydrophobicContact CD1-CD2 4.22Å; I210-L213 PolarHBondContact O-N 2.97Å; I210-W214 WeakPolarHBondContact O-CB 3.46Å; I210-W214 PolarHBondContact O-N 3.18Å
211P94.7Very high93.6Very high12 Ų1229.2 Ų29.28%0.07816%0.163CC..Hα-helixtrans-67.8-37.9176.1-16.933.2000111.8W13 V132 V209 L213 W214 D215W13-P211 HydrophobicContact CH2-CB 4.47Å; W13-P211 HydrophobicContact CZ2-CB 4.26Å; V132-P211 HydrophobicContact CG2-CB 4Å; V132-P211 HydrophobicContact CG2-CG 4.14Å; V209-P211 VanDerWaalsContact C-CD 3.4Å; P211-L213 VanDerWaalsContact C-N 3.33Å; P211-W214 PolarHBondContact O-N 2.66Å; P211-D215 PolarHBondContact O-N 2.85Å
212S94.5Very high93.5Very high21 Ų2130 Ų3015%0.14717%0.167CC..Hα-helixtrans-70.8-29.4178.4-57.30000112.2R9 V209 I210 L290R9-S212 PolarHBondContact NH2-OG 3.17Å; V209-S212 WeakPolarHBondContact O-CB 3.43Å; V209-S212 PolarHBondContact O-N 3.05Å; I210-S212 PolarHBondContact O-N 3.44Å; S212-L290 VanDerWaalsContact CB-CD1 3.45Å
213L95.5Very high93.4Very high0 Ų030.1 Ų30.10%017%0.167CC..Hα-helixtrans-72.2-42.9170179.561.9000111.5F201 I205 V209 I210 P211 D215 L216 Y217 I229 L290F201-L213 HydrophobicContact CB-CD2 4.27Å; F201-L213 HydrophobicContact CD2-CD2 4.29Å; I205-L213 HydrophobicContact CD1-CD2 3.48Å; I205-L213 VanDerWaalsContact CD1-CD2 3.48Å; V209-L213 PolarHBondContact O-N 2.85Å; I210-L213 HydrophobicContact CD1-CD2 4.22Å; I210-L213 PolarHBondContact O-N 2.97Å; P211-L213 VanDerWaalsContact C-N 3.33Å; L213-D215 VanDerWaalsContact C-N 3.33Å; L213-D215 PolarHBondContact O-N 3.41Å; L213-L216 HydrophobicContact CD1-CD1 4.37Å; L213-L216 VanDerWaalsContact O-CB 3.31Å; L213-L216 WeakPolarHBondContact O-CB 3.33Å; L213-L216 PolarHBondContact O-N 2.65Å; L213-Y217 HydrophobicContact CD1-CE2 4.28Å; L213-Y217 HydrophobicContact CD2-CE2 4.44Å; L213-Y217 HydrophobicContact CG-CD2 4.35Å; L213-Y217 HydrophobicContact CG-CE2 4.04Å; L213-Y217 WeakPolarHBondContact O-CD2 3.21Å; L213-Y217 PolarHBondContact O-N 3.43Å; L213-I229 HydrophobicContact CD1-CD1 4.04Å; L213-L290 HydrophobicContact CB-CD2 4.24Å; L213-L290 HydrophobicContact CD1-CD2 3.89Å
214W96.1Very high93.5Very high0 Ų026.3 Ų26.30%015%0.146CC..Hα-helixtrans-68.6-29.2178.6-78.924.7000113.1W13 I125 V128 L129 F148 L200 A202 I210 P211 L216 Y217 F218W13-W214 HydrophobicContact CH2-CB 3.86Å; W13-W214 HydrophobicContact CH2-CD2 4.25Å; W13-W214 AromaticContact CH2-CE3 3.57Å; W13-W214 HydrophobicContact CH2-CE3 3.57Å; W13-W214 HydrophobicContact CH2-CG 4.43Å; W13-W214 HydrophobicContact CH2-CZ3 4.42Å; W13-W214 HydrophobicContact CZ2-CB 3.6Å; W13-W214 HydrophobicContact CZ2-CE3 4.4Å; W13-W214 AromaticContact CZ3-CE3 3.81Å; W13-W214 HydrophobicContact CZ3-CE3 3.81Å; W13-W214 HydrophobicContact CZ3-CZ3 4.31Å; I125-W214 HydrophobicContact CB-CH2 4.28Å; I125-W214 HydrophobicContact CG1-CH2 4.22Å; I125-W214 HydrophobicContact CG1-CZ2 4.42Å; I125-W214 HydrophobicContact CG2-CH2 4.07Å; V128-W214 HydrophobicContact CB-CE3 4.43Å; V128-W214 HydrophobicContact CB-CH2 3.84Å; V128-W214 HydrophobicContact CB-CZ2 4.39Å; V128-W214 HydrophobicContact CB-CZ3 3.87Å; V128-W214 HydrophobicContact CG1-CD2 4.05Å; V128-W214 HydrophobicContact CG1-CE3 3.62Å; V128-W214 HydrophobicContact CG1-CH2 3.92Å; V128-W214 HydrophobicContact CG1-CZ2 4.34Å; V128-W214 HydrophobicContact CG1-CZ3 3.55Å; V128-W214 HydrophobicContact CG2-CH2 4.48Å; L129-W214 HydrophobicContact CD2-CZ3 4.04Å; L129-W214 HydrophobicContact CG-CZ3 4.11Å; F148-W214 HydrophobicContact CD2-CE3 4.44Å; F148-W214 HydrophobicContact CD2-CH2 4.22Å; F148-W214 AromaticContact CD2-CZ3 3.98Å; F148-W214 HydrophobicContact CD2-CZ3 3.98Å; F148-W214 HydrophobicContact CE2-CD2 4.08Å; F148-W214 AromaticContact CE2-CE3 3.78Å; F148-W214 HydrophobicContact CE2-CE3 3.78Å; F148-W214 AromaticContact CE2-CH2 3.41Å; F148-W214 HydrophobicContact CE2-CH2 3.41Å; F148-W214 VanDerWaalsContact CE2-CH2 3.41Å; F148-W214 AromaticContact CE2-CZ2 3.72Å; F148-W214 HydrophobicContact CE2-CZ2 3.72Å; F148-W214 AromaticContact CE2-CZ3 3.44Å; F148-W214 HydrophobicContact CE2-CZ3 3.44Å; F148-W214 VanDerWaalsContact CE2-CZ3 3.44Å; F148-W214 AromaticContact CZ-CH2 3.58Å; F148-W214 HydrophobicContact CZ-CH2 3.58Å; F148-W214 AromaticContact CZ-CZ2 3.62Å; F148-W214 HydrophobicContact CZ-CZ2 3.62Å; F148-W214 HydrophobicContact CZ-CZ3 4.12Å; L200-W214 HydrophobicContact CB-CZ2 4.21Å; L200-W214 PolarHBondContact O-NE1 3.47Å; L200-W214 VanDerWaalsContact O-NE1 3.07Å; A202-W214 HydrophobicContact CB-CZ2 4.35Å; I210-W214 WeakPolarHBondContact O-CB 3.46Å; I210-W214 PolarHBondContact O-N 3.18Å; P211-W214 PolarHBondContact O-N 2.66Å; W214-L216 PolarHBondContact O-N 3.44Å; W214-Y217 PolarHBondContact O-N 3.03Å; W214-Y217 VanDerWaalsContact O-N 3.15Å; W214-F218 HydrophobicContact CD2-CZ 4.39Å; W214-F218 HydrophobicContact CE3-CE1 4.42Å; W214-F218 HydrophobicContact CE3-CE2 4.34Å; W214-F218 AromaticContact CE3-CZ 3.7Å; W214-F218 HydrophobicContact CE3-CZ 3.7Å; W214-F218 HydrophobicContact CZ3-CZ 4.32Å; W214-F218 WeakPolarHBondContact O-CB 3.4Å; W214-F218 WeakPolarHBondContact O-CG 3.36Å; W214-F218 PolarHBondContact O-N 3Å
215D95.1Very high93.6Very high6 Ų625.1 Ų25.13%0.03214%0.141CC..Hα-helixtrans-51.2-41.3166.2-70.6-30.4000111.3V4 R9 W13 P211 L213 L219V4-D215 HydrophobicContact CB-CB 4.47Å; V4-D215 HydrophobicContact CG2-CB 3.88Å; R9-D215 WeakPolarHBondContact CG-OD1 3.32Å; R9-D215 IonicContact CZ-OD2 2.89Å; R9-D215 VanDerWaalsContact CZ-OD2 3.26Å; R9-D215 IonicContact NE-OD1 2.85Å; R9-D215 PolarHBondContact NE-OD1 3.26Å; R9-D215 IonicContact NE-OD2 3.5Å; R9-D215 PolarHBondContact NE-OD2 3.35Å; R9-D215 IonicContact NH2-OD2 3.16Å; R9-D215 PolarHBondContact NH2-OD2 2.98Å; W13-D215 PolarHBondContact NE1-OD1 2.92Å; P211-D215 PolarHBondContact O-N 2.85Å; L213-D215 VanDerWaalsContact C-N 3.33Å; L213-D215 PolarHBondContact O-N 3.41Å; D215-L219 VanDerWaalsContact O-CB 3.22Å; D215-L219 WeakPolarHBondContact O-CB 3.47Å; D215-L219 WeakPolarHBondContact O-CD1 3.31Å; D215-L219 WeakPolarHBondContact O-CG 3.43Å; D215-L219 PolarHBondContact O-N 3.3Å
216L93.3Very high93.7Very high19 Ų1924.6 Ų24.610%0.09914%0.139CC..Hα-helixtrans-67.7-44.1177.8-58.6177.5000112.4M1 L213 W214 K220 L290 L293 V294M1-L216 HydrophobicContact CE-CD2 4.26Å; M1-L216 HydrophobicContact SD-CD2 4.21Å; L213-L216 HydrophobicContact CD1-CD1 4.37Å; L213-L216 VanDerWaalsContact O-CB 3.31Å; L213-L216 WeakPolarHBondContact O-CB 3.33Å; L213-L216 PolarHBondContact O-N 2.65Å; W214-L216 PolarHBondContact O-N 3.44Å; L216-K220 WeakPolarHBondContact O-CB 3.49Å; L216-K220 PolarHBondContact O-N 3.06Å; L216-L290 HydrophobicContact CD1-CB 4.29Å; L216-L290 HydrophobicContact CD1-CD2 4.44Å; L216-L293 HydrophobicContact CD1-CD2 4.1Å; L216-V294 HydrophobicContact CD1-CG2 3.57Å; L216-V294 HydrophobicContact CD2-CG2 3.72Å; L216-V294 HydrophobicContact CG-CG2 4.23Å
217Y94.5Very high93.9Very high0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-61.5-45176.4-81.1-83.6000112F152 L200 F201 L213 W214 S221 L225 V226 I229F152-Y217 HydrophobicContact CD1-CD1 4.21Å; F152-Y217 HydrophobicContact CE1-CD1 4.34Å; L200-Y217 HydrophobicContact CD1-CD1 4.31Å; L200-Y217 HydrophobicContact CD1-CE1 3.63Å; L200-Y217 HydrophobicContact CD1-CE2 4.3Å; L200-Y217 HydrophobicContact CD2-CD1 4Å; L200-Y217 HydrophobicContact CD2-CD2 3.95Å; L200-Y217 HydrophobicContact CD2-CE1 4.07Å; L200-Y217 HydrophobicContact CD2-CE2 4.02Å; L200-Y217 HydrophobicContact CD2-CG 3.91Å; L200-Y217 HydrophobicContact CG-CD1 4.48Å; L200-Y217 HydrophobicContact CG-CD2 4.34Å; L200-Y217 HydrophobicContact CG-CE1 4.06Å; L200-Y217 HydrophobicContact CG-CE2 3.89Å; F201-Y217 WeakPolarHBondContact CE2-OH 3.45Å; L213-Y217 HydrophobicContact CD1-CE2 4.28Å; L213-Y217 HydrophobicContact CD2-CE2 4.44Å; L213-Y217 HydrophobicContact CG-CD2 4.35Å; L213-Y217 HydrophobicContact CG-CE2 4.04Å; L213-Y217 WeakPolarHBondContact O-CD2 3.21Å; L213-Y217 PolarHBondContact O-N 3.43Å; W214-Y217 PolarHBondContact O-N 3.03Å; W214-Y217 VanDerWaalsContact O-N 3.15Å; Y217-S221 WeakPolarHBondContact O-CA 3.17Å; Y217-S221 PolarHBondContact O-N 2.97Å; Y217-L225 HydrophobicContact CD1-CB 3.97Å; Y217-L225 HydrophobicContact CD1-CD2 3.84Å; Y217-L225 HydrophobicContact CD1-CG 4.23Å; Y217-L225 HydrophobicContact CD2-CD2 4.41Å; Y217-L225 HydrophobicContact CE1-CB 3.75Å; Y217-L225 HydrophobicContact CE1-CD2 4.12Å; Y217-L225 HydrophobicContact CE1-CG 4.03Å; Y217-L225 HydrophobicContact CG-CD2 4.02Å; Y217-V226 HydrophobicContact CE1-CB 4.19Å; Y217-V226 VanDerWaalsContact OH-CA 3.3Å; Y217-V226 WeakPolarHBondContact OH-CA 3.29Å; Y217-V226 WeakPolarHBondContact OH-CB 3.41Å; Y217-I229 HydrophobicContact CE1-CD1 4.49Å; Y217-I229 HydrophobicContact CE2-CD1 3.79Å; Y217-I229 WeakPolarHBondContact OH-CD1 3.01Å
218F94.5Very high94.4Very high3 Ų320.2 Ų20.21%0.01311%0.112CC..Hα-helixtrans-73.6-33.3-175.1-68.93.1000111.8W13 C16 L17 F148 F152 W214W13-F218 HydrophobicContact CB-CD2 4.2Å; W13-F218 HydrophobicContact CB-CE2 4.29Å; W13-F218 AromaticContact CD1-CD2 3.74Å; W13-F218 AromaticContact CD2-CD2 3.73Å; W13-F218 HydrophobicContact CD2-CD2 3.73Å; W13-F218 AromaticContact CD2-CE2 3.44Å; W13-F218 HydrophobicContact CD2-CE2 3.44Å; W13-F218 VanDerWaalsContact CD2-CE2 3.44Å; W13-F218 AromaticContact CE2-CD2 3.87Å; W13-F218 AromaticContact CE2-CE2 3.78Å; W13-F218 HydrophobicContact CE3-CD2 4.38Å; W13-F218 AromaticContact CE3-CE2 3.62Å; W13-F218 HydrophobicContact CE3-CE2 3.62Å; W13-F218 AromaticContact CG-CD2 3.64Å; W13-F218 HydrophobicContact CG-CD2 3.64Å; W13-F218 AromaticContact CG-CE2 3.77Å; W13-F218 HydrophobicContact CG-CE2 3.77Å; W13-F218 HydrophobicContact CH2-CE2 4.38Å; W13-F218 HydrophobicContact CZ2-CE2 4.25Å; W13-F218 HydrophobicContact CZ3-CE2 4.08Å; W13-F218 AromaticContact NE1-CD2 3.86Å; C16-F218 HydrophobicContact CB-CB 3.83Å; C16-F218 PolarHBondContact SG-O 2.57Å; L17-F218 HydrophobicContact CD1-CE2 4.14Å; L17-F218 HydrophobicContact CD1-CZ 4.4Å; L17-F218 HydrophobicContact CD2-CE1 4.24Å; L17-F218 HydrophobicContact CD2-CE2 4.31Å; L17-F218 HydrophobicContact CD2-CZ 4.12Å; L17-F218 HydrophobicContact CG-CE2 4.23Å; L17-F218 HydrophobicContact CG-CZ 4.5Å; F148-F218 AromaticContact CD2-CE1 3.79Å; F148-F218 HydrophobicContact CD2-CE1 3.79Å; F148-F218 AromaticContact CD2-CZ 3.71Å; F148-F218 HydrophobicContact CD2-CZ 3.71Å; F148-F218 AromaticContact CE2-CE1 3.85Å; F148-F218 HydrophobicContact CE2-CE1 3.85Å; F148-F218 AromaticContact CE2-CZ 3.93Å; F148-F218 HydrophobicContact CE2-CZ 3.93Å; F152-F218 HydrophobicContact CD2-CD1 4.31Å; F152-F218 AromaticContact CD2-CE1 3.96Å; F152-F218 HydrophobicContact CD2-CE1 3.96Å; F152-F218 AromaticContact CE2-CD1 3.48Å; F152-F218 HydrophobicContact CE2-CD1 3.48Å; F152-F218 VanDerWaalsContact CE2-CD1 3.48Å; F152-F218 AromaticContact CE2-CE1 3.54Å; F152-F218 HydrophobicContact CE2-CE1 3.54Å; F152-F218 AromaticContact CZ-CD1 3.71Å; F152-F218 HydrophobicContact CZ-CD1 3.71Å; F152-F218 HydrophobicContact CZ-CE1 4.19Å; W214-F218 HydrophobicContact CD2-CZ 4.39Å; W214-F218 HydrophobicContact CE3-CE1 4.42Å; W214-F218 HydrophobicContact CE3-CE2 4.34Å; W214-F218 AromaticContact CE3-CZ 3.7Å; W214-F218 HydrophobicContact CE3-CZ 3.7Å; W214-F218 HydrophobicContact CZ3-CZ 4.32Å; W214-F218 WeakPolarHBondContact O-CB 3.4Å; W214-F218 WeakPolarHBondContact O-CG 3.36Å; W214-F218 PolarHBondContact O-N 3Å
219L92.8Very high94.8Very high77 Ų7714.7 Ų14.740%0.4038%0.082SC..Hα-helixtrans-79.3-45.4174.5-68.8172.7000113.4M1 V4 V12 D215 S221M1-L219 HydrophobicContact CE-CB 3.52Å; M1-L219 HydrophobicContact CE-CD1 3.88Å; M1-L219 HydrophobicContact CE-CG 4.37Å; V4-L219 HydrophobicContact CG2-CD1 3.78Å; V12-L219 HydrophobicContact CG1-CD2 4.19Å; D215-L219 VanDerWaalsContact O-CB 3.22Å; D215-L219 WeakPolarHBondContact O-CB 3.47Å; D215-L219 WeakPolarHBondContact O-CD1 3.31Å; D215-L219 WeakPolarHBondContact O-CG 3.43Å; D215-L219 PolarHBondContact O-N 3.3Å; L219-S221 PolarHBondContact O-N 2.77Å
220K90.5Very high94.9Very high58 Ų5814.3 Ų14.325%0.2528%0.08SC..Hα-helixtrans-69-23.4174.1-75.3-159.1168.4-164.40111.9M1 L216 D222 E298M1-K220 HydrophobicContact CE-CG 4.28Å; M1-K220 HydrophobicContact SD-CD 4.4Å; M1-K220 HydrophobicContact SD-CG 3.9Å; L216-K220 WeakPolarHBondContact O-CB 3.49Å; L216-K220 PolarHBondContact O-N 3.06Å; K220-D222 PolarHBondContact O-N 3.06Å; K220-E298 IonicContact NZ-OE2 3.7Å; K220-E298 PolarHBondContact NZ-OE2 2.9Å
221S92.2Very high95Very high56 Ų5614.1 Ų14.139%0.3928%0.079SC..  trans55.530.6179.1-175.70000113.8R151 Y217 L219R151-S221 PolarHBondContact NH2-OG 2.89Å; Y217-S221 WeakPolarHBondContact O-CA 3.17Å; Y217-S221 PolarHBondContact O-N 2.97Å; L219-S221 PolarHBondContact O-N 2.77Å
222D92.8Very high95.1Very high17 Ų1714.9 Ų14.99%0.0918%0.082CC..  trans-113.5112.7-174.1-170.512.5000112.5K220 L224 L225 R309K220-D222 PolarHBondContact O-N 3.06Å; D222-L224 PolarHBondContact O-N 2.82Å; D222-L224 PolarHBondContact OD1-N 3.36Å; D222-L224 VanDerWaalsContact OD1-N 3.17Å; D222-L225 HydrophobicContact CB-CB 4.46Å; D222-L225 VanDerWaalsContact O-CB 3.29Å; D222-L225 WeakPolarHBondContact O-CB 3.28Å; D222-L225 PolarHBondContact O-N 2.54Å; D222-R309 VanDerWaalsContact CG-NH2 3.3Å; D222-R309 IonicContact OD1-CZ 3.65Å; D222-R309 VanDerWaalsContact OD1-CZ 3.28Å; D222-R309 IonicContact OD1-NH1 3.12Å; D222-R309 PolarHBondContact OD1-NH1 2.89Å; D222-R309 IonicContact OD1-NH2 3.89Å; D222-R309 PolarHBondContact OD1-NH2 2.91Å; D222-R309 IonicContact OD2-CZ 3.14Å; D222-R309 IonicContact OD2-NH1 3.17Å; D222-R309 PolarHBondContact OD2-NH1 3.49Å; D222-R309 IonicContact OD2-NH2 3.53Å
223P93.9Very high95.2Very high15 Ų1514.7 Ų14.710%0.0978%0.08CC..THydrogen-bonded Turntrans-65.2-26.8177.3-20.534.6000113R151 L225 V226 L313 F317R151-P223 VanDerWaalsContact O-CB 3.28Å; R151-P223 WeakPolarHBondContact O-CB 3.19Å; R151-P223 WeakPolarHBondContact O-CG 3.38Å; P223-L225 PolarHBondContact O-N 3.14Å; P223-V226 WeakPolarHBondContact O-CG1 3.37Å; P223-L313 HydrophobicContact CB-CD1 4.08Å; P223-L313 HydrophobicContact CG-CD1 3.86Å; P223-F317 HydrophobicContact CB-CB 4.34Å; P223-F317 HydrophobicContact CB-CD1 3.68Å; P223-F317 HydrophobicContact CB-CD2 3.77Å; P223-F317 HydrophobicContact CB-CE1 3.8Å; P223-F317 HydrophobicContact CB-CE2 3.89Å; P223-F317 HydrophobicContact CB-CG 3.66Å; P223-F317 HydrophobicContact CB-CZ 3.89Å; P223-F317 HydrophobicContact CG-CG 4.41Å
224L95.4Very high95.2Very high0 Ų014.7 Ų14.70%08%0.08CC..THydrogen-bonded Turntrans-76.4-6.9179.4-69.7172.3000113.6D222 V226 F227 Y228 F308 R309 L313 F317D222-L224 PolarHBondContact O-N 2.82Å; D222-L224 PolarHBondContact OD1-N 3.36Å; D222-L224 VanDerWaalsContact OD1-N 3.17Å; L224-V226 PolarHBondContact O-N 2.95Å; L224-V226 VanDerWaalsContact O-N 3.16Å; L224-F227 HydrophobicContact CD2-CD2 3.89Å; L224-F227 HydrophobicContact CD2-CE2 4.05Å; L224-F227 WeakPolarHBondContact O-CB 3.27Å; L224-F227 PolarHBondContact O-N 2.95Å; L224-Y228 HydrophobicContact CB-CE2 4.33Å; L224-Y228 WeakPolarHBondContact O-CD2 3.36Å; L224-F308 HydrophobicContact CD1-CD1 4.39Å; L224-F308 HydrophobicContact CD1-CE1 4.19Å; L224-F308 HydrophobicContact CD2-CE1 4.17Å; L224-R309 HydrophobicContact CD1-CB 4.25Å; L224-R309 HydrophobicContact CD1-CG 4.08Å; L224-L313 HydrophobicContact CD1-CB 4.1Å; L224-L313 HydrophobicContact CD1-CD1 4.42Å; L224-L313 HydrophobicContact CG-CD1 4.18Å; L224-F317 HydrophobicContact CD2-CE2 4.09Å
225L95.7Very high95.1Very high5 Ų516.1 Ų16.13%0.0269%0.088CC..Hα-helixtrans-57.1-32.1-179.9-176.760.4000112.5Y217 D222 P223 F227 Y228 I229 I297Y217-L225 HydrophobicContact CD1-CB 3.97Å; Y217-L225 HydrophobicContact CD1-CD2 3.84Å; Y217-L225 HydrophobicContact CD1-CG 4.23Å; Y217-L225 HydrophobicContact CD2-CD2 4.41Å; Y217-L225 HydrophobicContact CE1-CB 3.75Å; Y217-L225 HydrophobicContact CE1-CD2 4.12Å; Y217-L225 HydrophobicContact CE1-CG 4.03Å; Y217-L225 HydrophobicContact CG-CD2 4.02Å; D222-L225 HydrophobicContact CB-CB 4.46Å; D222-L225 VanDerWaalsContact O-CB 3.29Å; D222-L225 WeakPolarHBondContact O-CB 3.28Å; D222-L225 PolarHBondContact O-N 2.54Å; P223-L225 PolarHBondContact O-N 3.14Å; L225-F227 VanDerWaalsContact C-N 3.3Å; L225-F227 PolarHBondContact O-N 3.15Å; L225-Y228 PolarHBondContact O-N 2.89Å; L225-I229 HydrophobicContact CG-CD1 3.93Å; L225-I229 HydrophobicContact CG-CG1 4.46Å; L225-I229 WeakPolarHBondContact O-CG1 3.48Å; L225-I229 PolarHBondContact O-N 3.21Å; L225-I297 HydrophobicContact CD1-CD1 4.16Å; L225-I297 HydrophobicContact CD1-CG2 3.81Å
226V96.6Very high95.1Very high0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-59.7-36.1176.468.20000113F193 M197 L200 F201 Y217 P223 L224 G230F193-V226 HydrophobicContact CE2-CG2 4.44Å; F193-V226 WeakPolarHBondContact CE2-O 3.44Å; F193-V226 HydrophobicContact CZ-CG1 4.38Å; F193-V226 HydrophobicContact CZ-CG2 4.2Å; M197-V226 HydrophobicContact CB-CG2 4.19Å; M197-V226 HydrophobicContact CG-CG1 4.16Å; M197-V226 HydrophobicContact CG-CG2 4.11Å; L200-V226 HydrophobicContact CD1-CB 4.16Å; L200-V226 HydrophobicContact CD1-CG2 4.16Å; F201-V226 HydrophobicContact CE2-CG2 3.84Å; F201-V226 HydrophobicContact CZ-CG2 4.37Å; Y217-V226 HydrophobicContact CE1-CB 4.19Å; Y217-V226 VanDerWaalsContact OH-CA 3.3Å; Y217-V226 WeakPolarHBondContact OH-CA 3.29Å; Y217-V226 WeakPolarHBondContact OH-CB 3.41Å; P223-V226 WeakPolarHBondContact O-CG1 3.37Å; L224-V226 PolarHBondContact O-N 2.95Å; L224-V226 VanDerWaalsContact O-N 3.16Å; V226-G230 PolarHBondContact O-N 2.92Å
227F97.6Very high95Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-68.2-38.7177.7-70.4-100.6000111.4V163 V166 F167 L170 F193 L224 L225 L231 F308 L316 F317V163-F227 HydrophobicContact CG1-CE1 4.12Å; V163-F227 HydrophobicContact CG1-CZ 3.9Å; V163-F227 HydrophobicContact CG2-CZ 4.4Å; V166-F227 HydrophobicContact CB-CE1 4.16Å; V166-F227 HydrophobicContact CG1-CD1 4.2Å; V166-F227 HydrophobicContact CG1-CE1 3.77Å; V166-F227 HydrophobicContact CG1-CZ 4.4Å; F167-F227 HydrophobicContact CB-CD1 4.11Å; F167-F227 HydrophobicContact CB-CE1 4.12Å; F167-F227 AromaticContact CD2-CD1 3.9Å; F167-F227 HydrophobicContact CD2-CD1 3.9Å; L170-F227 HydrophobicContact CD2-CB 3.81Å; F193-F227 HydrophobicContact CE1-CD1 4.04Å; F193-F227 AromaticContact CE1-CE1 3.84Å; F193-F227 HydrophobicContact CE1-CE1 3.84Å; F193-F227 HydrophobicContact CE1-CG 4.47Å; F193-F227 HydrophobicContact CE1-CZ 4.12Å; F193-F227 HydrophobicContact CZ-CB 4.5Å; F193-F227 AromaticContact CZ-CD1 4Å; F193-F227 HydrophobicContact CZ-CD1 4Å; F193-F227 HydrophobicContact CZ-CD2 4.38Å; F193-F227 HydrophobicContact CZ-CE1 4.23Å; F193-F227 HydrophobicContact CZ-CG 4.05Å; L224-F227 HydrophobicContact CD2-CD2 3.89Å; L224-F227 HydrophobicContact CD2-CE2 4.05Å; L224-F227 WeakPolarHBondContact O-CB 3.27Å; L224-F227 PolarHBondContact O-N 2.95Å; L225-F227 VanDerWaalsContact C-N 3.3Å; L225-F227 PolarHBondContact O-N 3.15Å; F227-L231 VanDerWaalsContact O-CB 3.27Å; F227-L231 WeakPolarHBondContact O-CB 3.5Å; F227-L231 PolarHBondContact O-N 3.36Å; F227-F308 HydrophobicContact CB-CZ 4.48Å; F227-F308 HydrophobicContact CD1-CZ 4.45Å; F227-F308 HydrophobicContact CG-CZ 4.49Å; F227-L316 HydrophobicContact CE1-CD1 4.39Å; F227-L316 HydrophobicContact CE2-CD1 4.13Å; F227-L316 HydrophobicContact CZ-CD1 3.61Å; F227-F317 HydrophobicContact CE2-CE2 4.14Å; F227-F317 HydrophobicContact CE2-CZ 4.22Å
228Y97.6Very high95Very high7 Ų724.5 Ų24.53%0.02713%0.131CC..Hα-helixtrans-75.2-33.3178.4-61.1-73.9000112.9L170 L224 L225 L232 I297 F300 I301 T304 F308L170-Y228 HydrophobicContact CD1-CE1 4.33Å; L170-Y228 HydrophobicContact CD2-CD1 4.37Å; L170-Y228 HydrophobicContact CD2-CE1 4.37Å; L224-Y228 HydrophobicContact CB-CE2 4.33Å; L224-Y228 WeakPolarHBondContact O-CD2 3.36Å; L225-Y228 PolarHBondContact O-N 2.89Å; Y228-L232 WeakPolarHBondContact O-CB 3.21Å; Y228-L232 PolarHBondContact O-N 3.21Å; Y228-I297 HydrophobicContact CG-CG2 4.36Å; Y228-F300 HydrophobicContact CD1-CB 4.05Å; Y228-I301 HydrophobicContact CD1-CG1 3.98Å; Y228-I301 HydrophobicContact CD2-CD1 4.2Å; Y228-I301 HydrophobicContact CD2-CG1 3.83Å; Y228-I301 HydrophobicContact CE1-CG1 3.84Å; Y228-I301 HydrophobicContact CE2-CD1 4.31Å; Y228-I301 HydrophobicContact CE2-CG1 3.68Å; Y228-I301 HydrophobicContact CG-CG1 3.97Å; Y228-T304 HydrophobicContact CE1-CG2 4.45Å; Y228-F308 HydrophobicContact CE2-CE1 4.49Å
229I97Very high94.8Very high1 Ų127.6 Ų27.61%0.00515%0.153CC..Hα-helixtrans-65.5-48.8171-64.4161.4000110.1F201 L213 Y217 L225 L231 L232 L233 M285 L293 I297F201-I229 HydrophobicContact CD2-CG2 4.46Å; F201-I229 HydrophobicContact CE1-CG2 4.18Å; F201-I229 HydrophobicContact CE2-CB 3.93Å; F201-I229 HydrophobicContact CE2-CD1 4.29Å; F201-I229 HydrophobicContact CE2-CG2 3.6Å; F201-I229 HydrophobicContact CZ-CB 3.96Å; F201-I229 HydrophobicContact CZ-CG2 3.44Å; F201-I229 VanDerWaalsContact CZ-CG2 3.44Å; L213-I229 HydrophobicContact CD1-CD1 4.04Å; Y217-I229 HydrophobicContact CE1-CD1 4.49Å; Y217-I229 HydrophobicContact CE2-CD1 3.79Å; Y217-I229 WeakPolarHBondContact OH-CD1 3.01Å; L225-I229 HydrophobicContact CG-CD1 3.93Å; L225-I229 HydrophobicContact CG-CG1 4.46Å; L225-I229 WeakPolarHBondContact O-CG1 3.48Å; L225-I229 PolarHBondContact O-N 3.21Å; I229-L231 VanDerWaalsContact C-N 3.31Å; I229-L231 PolarHBondContact O-N 3.07Å; I229-L232 PolarHBondContact O-N 3.2Å; I229-L233 HydrophobicContact CG2-CD1 4.11Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 WeakPolarHBondContact O-CG 3.41Å; I229-L233 PolarHBondContact O-N 3.14Å; I229-M285 HydrophobicContact CG2-CE 4.49Å; I229-L293 HydrophobicContact CG1-CD2 4.39Å; I229-L293 HydrophobicContact CG2-CD1 4.41Å; I229-I297 HydrophobicContact CB-CD1 4.34Å; I229-I297 HydrophobicContact CG1-CD1 3.43Å; I229-I297 VanDerWaalsContact CG1-CD1 3.43Å
230G97Very high94.6Very high0 Ų027.8 Ų27.80%016%0.157CC..Hα-helixtrans-61.5-38.1177.800000113.1V226 I234V226-G230 PolarHBondContact O-N 2.92Å; G230-I234 WeakPolarHBondContact O-CG1 3.32Å; G230-I234 PolarHBondContact O-N 3.11Å
231L97.7Very high94.6Very high0 Ų025 Ų250%015%0.145CC..Hα-helixtrans-60-55.7171.6178.968.5000110.5L170 L171 H174 F227 I229 L233 I234 V235 F300L170-L231 HydrophobicContact CD2-CB 4.45Å; L170-L231 HydrophobicContact CD2-CD2 4.27Å; L170-L231 HydrophobicContact CG-CD2 4.16Å; L171-L231 HydrophobicContact CB-CD1 4.44Å; L171-L231 HydrophobicContact CD1-CD1 3.81Å; H174-L231 HydrophobicContact CB-CD1 4.42Å; H174-L231 HydrophobicContact CB-CD2 4.36Å; F227-L231 VanDerWaalsContact O-CB 3.27Å; F227-L231 WeakPolarHBondContact O-CB 3.5Å; F227-L231 PolarHBondContact O-N 3.36Å; I229-L231 VanDerWaalsContact C-N 3.31Å; I229-L231 PolarHBondContact O-N 3.07Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-L233 PolarHBondContact O-N 3.33Å; L231-I234 PolarHBondContact O-N 2.83Å; L231-I234 VanDerWaalsContact O-N 3.12Å; L231-V235 HydrophobicContact CD1-CG2 3.92Å; L231-V235 HydrophobicContact CG-CG2 4.17Å; L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 3.25Å; L231-F300 HydrophobicContact CD2-CB 4.36Å; L231-F300 HydrophobicContact CD2-CD1 3.5Å; L231-F300 HydrophobicContact CD2-CE1 3.82Å; L231-F300 HydrophobicContact CD2-CG 3.9Å; L231-F300 HydrophobicContact CD2-CZ 4.46Å; L231-F300 HydrophobicContact CG-CD1 4.41Å; L231-F300 HydrophobicContact CG-CE1 4.3Å
232L96.9Very high94.3Very high27 Ų2724.4 Ų24.414%0.14114%0.137CC..Hα-helixtrans-54.5-45.7-179.1171.655.9000112.3Y228 I229 I234 V235 N236 L293 I296 I297 F300Y228-L232 WeakPolarHBondContact O-CB 3.21Å; Y228-L232 PolarHBondContact O-N 3.21Å; I229-L232 PolarHBondContact O-N 3.2Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-I234 PolarHBondContact O-N 2.96Å; L232-V235 PolarHBondContact O-N 3.17Å; L232-N236 VanDerWaalsContact O-CB 3.27Å; L232-N236 WeakPolarHBondContact O-CB 3.17Å; L232-N236 PolarHBondContact O-N 3.1Å; L232-L293 HydrophobicContact CD2-CB 4.23Å; L232-L293 HydrophobicContact CD2-CD1 4.35Å; L232-L293 HydrophobicContact CD2-CG 3.98Å; L232-I296 HydrophobicContact CD1-CB 4.43Å; L232-I296 HydrophobicContact CD1-CG2 3.65Å; L232-I296 HydrophobicContact CD2-CB 4.39Å; L232-I296 HydrophobicContact CD2-CG2 4.33Å; L232-I297 HydrophobicContact CD2-CD1 4.43Å; L232-I297 HydrophobicContact CD2-CG1 4.1Å; L232-F300 HydrophobicContact CB-CE2 4.43Å; L232-F300 HydrophobicContact CD1-CE2 4.23Å
233L96.1Very high93.5Very high18 Ų1829.6 Ų29.69%0.09417%0.165CC..Hα-helixtrans-56.9-46.8177.3-71.4171000112W196 F201 I229 L231 N236 A237 L281 P282 M285W196-L233 HydrophobicContact CE3-CD1 4.49Å; W196-L233 HydrophobicContact CH2-CB 4.1Å; W196-L233 HydrophobicContact CH2-CD1 4.02Å; W196-L233 HydrophobicContact CZ2-CD1 4.34Å; W196-L233 HydrophobicContact CZ3-CB 4.44Å; W196-L233 HydrophobicContact CZ3-CD1 4.12Å; F201-L233 HydrophobicContact CE1-CD1 3.7Å; F201-L233 HydrophobicContact CZ-CD1 4.23Å; I229-L233 HydrophobicContact CG2-CD1 4.11Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 WeakPolarHBondContact O-CG 3.41Å; I229-L233 PolarHBondContact O-N 3.14Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-L233 PolarHBondContact O-N 3.33Å; L233-N236 PolarHBondContact O-N 2.88Å; L233-A237 PolarHBondContact O-N 2.88Å; L233-A237 VanDerWaalsContact O-N 3.12Å; L233-L281 HydrophobicContact CB-CB 4.29Å; L233-L281 HydrophobicContact CD2-CB 4.5Å; L233-P282 HydrophobicContact CD1-CB 4.32Å; L233-P282 HydrophobicContact CD1-CG 3.92Å; L233-M285 HydrophobicContact CD2-CE 4.09Å
234I95.7Very high91.9Very high0 Ų033.1 Ų33.10%018%0.18CC..Hα-helixtrans-72-38.9-178.2-69.2174.9000111.7F167 L171 L178 Y192 W196 G230 L231 L232 N236 A237 K238 I278 L281F167-I234 HydrophobicContact CE1-CD1 3.82Å; F167-I234 HydrophobicContact CZ-CD1 3.86Å; L171-I234 HydrophobicContact CD1-CG2 3.95Å; L171-I234 HydrophobicContact CD2-CG2 4.37Å; L178-I234 HydrophobicContact CD2-CG2 3.6Å; L178-I234 WeakPolarHBondContact CD2-O 3.28Å; L178-I234 HydrophobicContact CG-CG2 4.21Å; Y192-I234 HydrophobicContact CD2-CD1 3.93Å; Y192-I234 HydrophobicContact CE2-CD1 3.26Å; W196-I234 HydrophobicContact CH2-CD1 4.27Å; W196-I234 HydrophobicContact CH2-CG1 4.07Å; W196-I234 HydrophobicContact CZ3-CD1 4.19Å; W196-I234 HydrophobicContact CZ3-CG1 4.33Å; G230-I234 WeakPolarHBondContact O-CG1 3.32Å; G230-I234 PolarHBondContact O-N 3.11Å; L231-I234 PolarHBondContact O-N 2.83Å; L231-I234 VanDerWaalsContact O-N 3.12Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-I234 PolarHBondContact O-N 2.96Å; I234-N236 VanDerWaalsContact C-N 3.35Å; I234-A237 PolarHBondContact O-N 3.42Å; I234-K238 PolarHBondContact O-N 2.98Å; I234-K238 VanDerWaalsContact O-N 3.16Å; I234-I278 HydrophobicContact CD1-CG2 4.27Å; I234-I278 HydrophobicContact CG1-CG2 4.3Å; I234-L281 HydrophobicContact CG1-CD1 4.27Å
235V95.1Very high89.7Confident30 Ų3040.9 Ų40.918%0.18222%0.216CC..Hα-helixtrans-67.1-36.1174.9179.90000111.4E175 L231 L232 A237 K238 F300E175-V235 HydrophobicContact CB-CG2 4.35Å; E175-V235 HydrophobicContact CG-CG1 4.12Å; E175-V235 HydrophobicContact CG-CG2 3.75Å; L231-V235 HydrophobicContact CD1-CG2 3.92Å; L231-V235 HydrophobicContact CG-CG2 4.17Å; L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 3.25Å; L232-V235 PolarHBondContact O-N 3.17Å; V235-A237 VanDerWaalsContact C-N 3.29Å; V235-A237 PolarHBondContact O-N 2.92Å; V235-K238 WeakPolarHBondContact O-CB 3.42Å; V235-K238 PolarHBondContact O-N 2.87Å; V235-F300 HydrophobicContact CB-CZ 4.34Å; V235-F300 HydrophobicContact CG1-CZ 4.24Å; V235-F300 HydrophobicContact CG2-CZ 4.25Å
236N93.5Very high87.7Confident130 Ų13043.7 Ų43.770%0.69523%0.228SC*.Hα-helixtrans-63.9-35.6172.9-168.448.6000111.8L232 L233 I234 K238L232-N236 VanDerWaalsContact O-CB 3.27Å; L232-N236 WeakPolarHBondContact O-CB 3.17Å; L232-N236 PolarHBondContact O-N 3.1Å; L233-N236 PolarHBondContact O-N 2.88Å; I234-N236 VanDerWaalsContact C-N 3.35Å; N236-K238 VanDerWaalsContact C-N 3.3Å; N236-K238 PolarHBondContact O-N 3.2Å
237A92.9Very high85.1Confident5 Ų550.2 Ų50.24%0.04126%0.263CS..THydrogen-bonded Turntrans-77-8175.400000114.8L233 I234 V235 S239 V240 L241 L281L233-A237 PolarHBondContact O-N 2.88Å; L233-A237 VanDerWaalsContact O-N 3.12Å; I234-A237 PolarHBondContact O-N 3.42Å; V235-A237 VanDerWaalsContact C-N 3.29Å; V235-A237 PolarHBondContact O-N 2.92Å; A237-S239 VanDerWaalsContact C-N 3.26Å; A237-S239 PolarHBondContact O-N 3.45Å; A237-S239 VanDerWaalsContact O-N 3.11Å; A237-V240 PolarHBondContact O-N 2.89Å; A237-L241 HydrophobicContact CB-CD1 3.75Å; A237-L241 HydrophobicContact CB-CG 4.11Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 2.89Å; A237-L281 HydrophobicContact CB-CD1 3.63Å; A237-L281 HydrophobicContact CB-CD2 3.66Å; A237-L281 HydrophobicContact CB-CG 4.31Å
238K93.2Very high82.4Confident65 Ų6554 Ų5428%0.28329%0.29SS..Hα-helixtrans-49.4-40.5-173.1176.2174.6159.4175.30114.2E175 L178 I234 V235 N236 L242E175-K238 WeakPolarHBondContact OE1-CD 3.48Å; E175-K238 IonicContact OE1-NZ 2.9Å; E175-K238 PolarHBondContact OE1-NZ 2.88Å; E175-K238 WeakPolarHBondContact OE2-CE 3.25Å; E175-K238 IonicContact OE2-NZ 3.35Å; E175-K238 PolarHBondContact OE2-NZ 3.01Å; L178-K238 HydrophobicContact CD2-CB 3.91Å; L178-K238 HydrophobicContact CD2-CG 4.21Å; I234-K238 PolarHBondContact O-N 2.98Å; I234-K238 VanDerWaalsContact O-N 3.16Å; V235-K238 WeakPolarHBondContact O-CB 3.42Å; V235-K238 PolarHBondContact O-N 2.87Å; N236-K238 VanDerWaalsContact C-N 3.3Å; N236-K238 PolarHBondContact O-N 3.2Å; K238-L242 HydrophobicContact CG-CD1 3.76Å; K238-L242 HydrophobicContact CG-CG 4.49Å; K238-L242 WeakPolarHBondContact O-CB 3.23Å; K238-L242 VanDerWaalsContact O-CG 3.3Å; K238-L242 WeakPolarHBondContact O-CG 3.31Å; K238-L242 PolarHBondContact O-N 2.95Å; K238-L242 VanDerWaalsContact O-N 3.08Å
239S90.2Very high79.5Confident69 Ų6959.7 Ų59.748%0.48333%0.326SS..Hα-helixtrans-66.1-46.7179.453.30000111.9A237 N243A237-S239 VanDerWaalsContact C-N 3.26Å; A237-S239 PolarHBondContact O-N 3.45Å; A237-S239 VanDerWaalsContact O-N 3.11Å; S239-N243 WeakPolarHBondContact O-CB 3.42Å; S239-N243 PolarHBondContact O-N 3.47Å; S239-N243 PolarHBondContact O-ND2 2.84Å
240V89.3Confident76.8Confident80 Ų8069 Ų6949%0.48537%0.369SS..Hα-helixtrans-65.2-45.3178.2-175.10000110.7A237 L242 L277A237-V240 PolarHBondContact O-N 2.89Å; V240-L242 PolarHBondContact O-N 3.16Å; V240-L277 HydrophobicContact CG1-CD2 3.81Å
241L89.4Confident74.1Confident1 Ų177 Ų771%0.00541%0.412CS..Hα-helixtrans-64.9-38.3-178-67.6171.5000112.8L178 F181 A237 V274 L277 I278L178-L241 HydrophobicContact CD1-CB 4.12Å; L178-L241 HydrophobicContact CD1-CD1 4.05Å; F181-L241 HydrophobicContact CE1-CB 4.16Å; F181-L241 WeakPolarHBondContact CE1-O 3.11Å; F181-L241 VanDerWaalsContact CZ-O 3.22Å; F181-L241 WeakPolarHBondContact CZ-O 3.45Å; A237-L241 HydrophobicContact CB-CD1 3.75Å; A237-L241 HydrophobicContact CB-CG 4.11Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 2.89Å; L241-V274 HydrophobicContact CD2-CG1 3.95Å; L241-L277 HydrophobicContact CD2-CD2 4.05Å; L241-I278 HydrophobicContact CD1-CG1 4.31Å; L241-I278 HydrophobicContact CD2-CD1 4.2Å; L241-I278 HydrophobicContact CD2-CG1 3.89Å
242L87Confident71.1Confident42 Ų4285 Ų8522%0.2246%0.455CS..Hα-helixtrans-91.1-21.6-176.8-64.7177.9000114.8K177 L178 F181 K238 V240K177-L242 HydrophobicContact CD-CD1 4.18Å; K177-L242 HydrophobicContact CG-CD1 4.42Å; L178-L242 HydrophobicContact CD1-CD2 4.23Å; L178-L242 HydrophobicContact CD1-CG 4.22Å; F181-L242 HydrophobicContact CB-CD2 3.85Å; F181-L242 HydrophobicContact CD1-CD2 3.95Å; F181-L242 HydrophobicContact CD2-CD2 4.07Å; F181-L242 HydrophobicContact CG-CD2 3.67Å; K238-L242 HydrophobicContact CG-CD1 3.76Å; K238-L242 HydrophobicContact CG-CG 4.49Å; K238-L242 WeakPolarHBondContact O-CB 3.23Å; K238-L242 VanDerWaalsContact O-CG 3.3Å; K238-L242 WeakPolarHBondContact O-CG 3.31Å; K238-L242 PolarHBondContact O-N 2.95Å; K238-L242 VanDerWaalsContact O-N 3.08Å; V240-L242 PolarHBondContact O-N 3.16Å
243N75.7Confident68.4Low126 Ų12691.4 Ų91.467%0.67448%0.484SS*.Hα-helixtrans-91.5-9.8-174.8-67.7-11.9000114.7S239 Q245S239-N243 WeakPolarHBondContact O-CB 3.42Å; S239-N243 PolarHBondContact O-N 3.47Å; S239-N243 PolarHBondContact O-ND2 2.84Å; N243-Q245 PolarHBondContact O-N 2.78Å
244Q60.5Low65.6Low90 Ų9096.8 Ų96.842%0.42151%0.513SS..  trans31.973.8167.5-61.7-167.4-4.700117.3F181 F270F181-Q244 VanDerWaalsContact CZ-NE2 3.3Å; Q244-F270 VanDerWaalsContact CD-CZ 3.47Å; Q244-F270 HydrophobicContact CG-CE2 4.46Å; Q244-F270 HydrophobicContact CG-CZ 3.97Å
245Q49.4Very low62.8Low162 Ų162103.8 Ų103.876%0.75755%0.55SS**  trans-111.469158.1-72.7-168.8-32.700110N243 D247N243-Q245 PolarHBondContact O-N 2.78Å; Q245-D247 VanDerWaalsContact C-N 3.31Å
246F52.8Low60Low64 Ų64106.8 Ų106.828%0.28157%0.572SS.*  trans-88.54.1175.7-90.5-80.5000114F270 K273 V274 L277F246-F270 HydrophobicContact CB-CD2 4.38Å; F246-F270 HydrophobicContact CB-CE2 4.15Å; F246-F270 AromaticContact CD2-CE2 3.64Å; F246-F270 HydrophobicContact CD2-CE2 3.64Å; F246-F270 HydrophobicContact CD2-CZ 4.38Å; F246-F270 HydrophobicContact CE2-CE2 4.31Å; F246-F270 HydrophobicContact CG-CE2 4.09Å; F246-K273 HydrophobicContact CD1-CB 4.49Å; F246-K273 HydrophobicContact CD1-CD 4Å; F246-K273 HydrophobicContact CE1-CB 4.24Å; F246-K273 HydrophobicContact CE1-CD 4.49Å; F246-V274 HydrophobicContact CE2-CG2 4.45Å; F246-L277 HydrophobicContact CZ-CD2 3.96Å
247D43.4Very low57.2Low138 Ų138108 Ų10874%0.73858%0.579SS**SBendtrans-129.134.6-169.5-67.2-23.8000113Q245Q245-D247 VanDerWaalsContact C-N 3.31Å
248S40.6Very low54.5Low80 Ų80114.4 Ų114.456%0.55962%0.618SS**SBendtrans-137.7-14.2-170.8-590000118.4
249T36.3Very low51.7Low126 Ų126118.8 Ų118.877%0.77364%0.644SS**SBendtrans-144.569.1-169.856.90000114.5
250E39.4Very low49Very low197 Ų197122.9 Ų122.992%0.92166%0.661SS**SBendtrans-168.744.4146.9-112.9168.9-137.200113.2
251D40.8Very low46.4Very low167 Ų167126.7 Ų126.789%0.89368%0.678SS**  trans-135.957.9174-99.6-42.8000111.6E253D251-E253 PolarHBondContact O-N 2.88Å
252N35.9Very low43.8Very low169 Ų169133.3 Ų133.390%0.90471%0.712SS**  trans-78.485.8161.7-83.9-37.4000109
253E40.2Very low41.1Very low161 Ų161134.7 Ų134.775%0.75273%0.725SS**SBend167.6119.9126.2-94.7-172.6-155.400115.1D251D251-E253 PolarHBondContact O-N 2.88Å
254N36.6Very low39.5Very low131 Ų131139 Ų13970%0.70173%0.734SS**  trans75.8148148.5-56.6-46.9000121
255N37.6Very low38.8Very low147 Ų147138.8 Ų138.879%0.78674%0.739SS**  trans68.973.5165.8-63.3-27.5000120.2
256S36.2Very low39Very low93 Ų93135 Ų13565%0.6572%0.724SS**  28.9137.5116.967.50000121.5
257N33.1Very low39.4Very low154 Ų154136.5 Ų136.582%0.82473%0.734SS**  trans81.266.8150.4-55.2-25.7000119.8
258T36.9Very low40.6Very low141 Ų141137.2 Ų137.287%0.86573%0.733SS**  trans-145105.1136.738.60000112.1
259N33.9Very low42.3Very low156 Ų156137.4 Ų137.483%0.83473%0.731SS**  trans-71.3124.8149-74.9-24.3000107.5
260N35.1Very low44.5Very low156 Ų156132.9 Ų132.983%0.83470%0.701SS**  trans154.9138138.7-79.2-28.2000113
261L32.6Very low46.7Very low160 Ų160126.2 Ų126.284%0.83867%0.669SS**  trans64.463.8145.4-153.276.7000118.8
262L35.2Very low48.9Very low140 Ų140122.4 Ų122.473%0.73365%0.646SS**  trans-109.599.9155.8-82.5167.7000110
263S30Very low51.3Low70 Ų70118.8 Ų118.849%0.4962%0.622SS.*  trans-121.4148.6172.856.80000111T265S263-T265 VanDerWaalsContact C-N 3.26Å; S263-T265 PolarHBondContact O-N 2.82Å
264Y44.1Very low53.7Low217 Ų217111.1 Ų111.185%0.85159%0.586SS**SBendtrans66.9-20.3174.6-55.8-73.9000119.2
265T45.8Very low56.3Low86 Ų86109 Ų10953%0.52857%0.569SS.*SBendtrans-79.6-39-178.847.50000114.7S263 D267S263-T265 VanDerWaalsContact C-N 3.26Å; S263-T265 PolarHBondContact O-N 2.82Å; T265-D267 VanDerWaalsContact C-N 3.31Å; T265-D267 PolarHBondContact O-N 3.27Å
266N53.1Low58.9Low83 Ų83106 Ų10644%0.44455%0.552SS.*Hα-helixtrans-72.9-25.4-168.4-61.518.1000112.9Q268 T269 F270N266-Q268 PolarHBondContact O-N 2.86Å; N266-T269 PolarHBondContact O-N 3.46Å; N266-T269 PolarHBondContact O-OG1 3.32Å; N266-F270 PolarHBondContact O-N 3.34Å
267D60.3Low61.6Low94 Ų94103.7 Ų103.750%0.50353%0.532SS..Hα-helixtrans-62.2-42.6-172.7-149.929.5000112.1T265 T269 F270 F271T265-D267 VanDerWaalsContact C-N 3.31Å; T265-D267 PolarHBondContact O-N 3.27Å; D267-T269 PolarHBondContact O-N 2.78Å; D267-F270 WeakPolarHBondContact O-CB 3.44Å; D267-F270 PolarHBondContact O-N 2.85Å; D267-F271 HydrophobicContact CB-CE2 4.17Å; D267-F271 HydrophobicContact CB-CZ 4.33Å; D267-F271 WeakPolarHBondContact O-CD2 3.14Å; D267-F271 WeakPolarHBondContact O-CE2 3.48Å; D267-F271 WeakPolarHBondContact O-CG 3.44Å; D267-F271 PolarHBondContact O-N 3.04Å; D267-F271 WeakPolarHBondContact OD1-CZ 3.48Å; D267-F271 VanDerWaalsContact OD2-CZ 3.29Å; D267-F271 WeakPolarHBondContact OD2-CZ 3.48Å
268Q69Low64.5Low154 Ų15496.3 Ų96.372%0.7249%0.493SS*.Hα-helixtrans-64.2-39.5177.8-69.2-171.8-700112.8N266 F270 E272N266-Q268 PolarHBondContact O-N 2.86Å; Q268-F270 VanDerWaalsContact C-N 3.29Å; Q268-E272 PolarHBondContact O-N 3.18Å
269T76.5Confident67.2Low83 Ų8391 Ų9151%0.50946%0.459SS..Hα-helixtrans-71.7-29177.271.90000111.2N266 D267 K273N266-T269 PolarHBondContact O-N 3.46Å; N266-T269 PolarHBondContact O-OG1 3.32Å; D267-T269 PolarHBondContact O-N 2.78Å; T269-K273 WeakPolarHBondContact O-CB 3.36Å; T269-K273 VanDerWaalsContact O-CG 3.24Å; T269-K273 WeakPolarHBondContact O-CG 3.45Å; T269-K273 PolarHBondContact O-N 3.48Å
270F82.6Confident70.1Confident31 Ų3185.4 Ų85.414%0.13643%0.432CS..Hα-helixtrans-67-48.7174.1-176.5-94.5000112.6L185 Q244 F246 N266 D267 Q268 E272 K273 V274L185-F270 HydrophobicContact CD1-CE1 4.15Å; L185-F270 HydrophobicContact CD2-CE1 4.2Å; Q244-F270 VanDerWaalsContact CD-CZ 3.47Å; Q244-F270 HydrophobicContact CG-CE2 4.46Å; Q244-F270 HydrophobicContact CG-CZ 3.97Å; F246-F270 HydrophobicContact CB-CD2 4.38Å; F246-F270 HydrophobicContact CB-CE2 4.15Å; F246-F270 AromaticContact CD2-CE2 3.64Å; F246-F270 HydrophobicContact CD2-CE2 3.64Å; F246-F270 HydrophobicContact CD2-CZ 4.38Å; F246-F270 HydrophobicContact CE2-CE2 4.31Å; F246-F270 HydrophobicContact CG-CE2 4.09Å; N266-F270 PolarHBondContact O-N 3.34Å; D267-F270 WeakPolarHBondContact O-CB 3.44Å; D267-F270 PolarHBondContact O-N 2.85Å; Q268-F270 VanDerWaalsContact C-N 3.29Å; F270-E272 VanDerWaalsContact C-N 3.29Å; F270-E272 PolarHBondContact O-N 2.65Å; F270-K273 WeakPolarHBondContact O-CB 3.49Å; F270-K273 PolarHBondContact O-N 3.33Å; F270-V274 HydrophobicContact CD1-CG2 4.17Å; F270-V274 HydrophobicContact CE1-CG2 3.5Å; F270-V274 VanDerWaalsContact CE1-CG2 3.5Å; F270-V274 HydrophobicContact CE2-CG2 4.02Å; F270-V274 HydrophobicContact CZ-CG2 3.38Å; F270-V274 WeakPolarHBondContact O-CG2 3.24Å; F270-V274 PolarHBondContact O-N 3.05Å
271F85.4Confident73Confident58 Ų5879.5 Ų79.525%0.25440%0.4SS..Hα-helixtrans-57.8-42.7177.4-54.6-47.9000111.8L185 D267 V274 R275L185-F271 HydrophobicContact CB-CD1 3.88Å; L185-F271 HydrophobicContact CB-CE1 4.14Å; L185-F271 HydrophobicContact CD2-CD1 3.88Å; L185-F271 HydrophobicContact CD2-CE1 3.65Å; L185-F271 HydrophobicContact CG-CD1 4.32Å; L185-F271 HydrophobicContact CG-CE1 4.44Å; D267-F271 HydrophobicContact CB-CE2 4.17Å; D267-F271 HydrophobicContact CB-CZ 4.33Å; D267-F271 WeakPolarHBondContact O-CD2 3.14Å; D267-F271 WeakPolarHBondContact O-CE2 3.48Å; D267-F271 WeakPolarHBondContact O-CG 3.44Å; D267-F271 PolarHBondContact O-N 3.04Å; D267-F271 WeakPolarHBondContact OD1-CZ 3.48Å; D267-F271 VanDerWaalsContact OD2-CZ 3.29Å; D267-F271 WeakPolarHBondContact OD2-CZ 3.48Å; F271-V274 PolarHBondContact O-N 2.97Å; F271-R275 WeakPolarHBondContact O-CB 3.31Å; F271-R275 PolarHBondContact O-N 3.12Å
272E86Confident75.9Confident87 Ų8771.9 Ų71.941%0.40736%0.36SS..Hα-helixtrans-74.4-33.3-179.2-165.255.7-148.100112.3Q268 F270 R275 N276Q268-E272 PolarHBondContact O-N 3.18Å; F270-E272 VanDerWaalsContact C-N 3.29Å; F270-E272 PolarHBondContact O-N 2.65Å; E272-R275 PolarHBondContact O-N 3.44Å; E272-R275 WeakPolarHBondContact OE2-CD 3.4Å; E272-N276 WeakPolarHBondContact CG-ND2 3.3Å; E272-N276 WeakPolarHBondContact O-CB 3.49Å; E272-N276 PolarHBondContact O-N 3.11Å; E272-N276 PolarHBondContact O-ND2 3.18Å; E272-N276 PolarHBondContact OE1-ND2 3.06Å
273K87.6Confident78.7Confident92 Ų9271.5 Ų71.540%0.435%0.353SS..Hα-helixtrans-57.5-48.8166.8-81.8172.6174.6-175.60111.1F246 T269 F270 N276 L277F246-K273 HydrophobicContact CD1-CB 4.49Å; F246-K273 HydrophobicContact CD1-CD 4Å; F246-K273 HydrophobicContact CE1-CB 4.24Å; F246-K273 HydrophobicContact CE1-CD 4.49Å; T269-K273 WeakPolarHBondContact O-CB 3.36Å; T269-K273 VanDerWaalsContact O-CG 3.24Å; T269-K273 WeakPolarHBondContact O-CG 3.45Å; T269-K273 PolarHBondContact O-N 3.48Å; F270-K273 WeakPolarHBondContact O-CB 3.49Å; F270-K273 PolarHBondContact O-N 3.33Å; K273-N276 PolarHBondContact O-N 3.08Å; K273-L277 WeakPolarHBondContact O-CB 3.5Å; K273-L277 PolarHBondContact O-N 3.46Å
274V90.4Very high81.7Confident1 Ų173.2 Ų73.21%0.00636%0.362CS..Hα-helixtrans-64.5-43.4178.7171.90000111.3L182 L185 I187 L241 F246 F270 F271 L277 I278L182-V274 HydrophobicContact CD2-CG1 4.48Å; L185-V274 HydrophobicContact CD1-CB 4.42Å; L185-V274 HydrophobicContact CD1-CG1 4Å; L185-V274 HydrophobicContact CD1-CG2 4.39Å; I187-V274 HydrophobicContact CD1-CB 4Å; I187-V274 HydrophobicContact CD1-CG1 3.66Å; L241-V274 HydrophobicContact CD2-CG1 3.95Å; F246-V274 HydrophobicContact CE2-CG2 4.45Å; F270-V274 HydrophobicContact CD1-CG2 4.17Å; F270-V274 HydrophobicContact CE1-CG2 3.5Å; F270-V274 VanDerWaalsContact CE1-CG2 3.5Å; F270-V274 HydrophobicContact CE2-CG2 4.02Å; F270-V274 HydrophobicContact CZ-CG2 3.38Å; F270-V274 WeakPolarHBondContact O-CG2 3.24Å; F270-V274 PolarHBondContact O-N 3.05Å; F271-V274 PolarHBondContact O-N 2.97Å; V274-L277 PolarHBondContact O-N 2.96Å; V274-I278 HydrophobicContact CG1-CD1 3.82Å; V274-I278 HydrophobicContact CG1-CG1 4.44Å; V274-I278 VanDerWaalsContact O-CG1 3.3Å; V274-I278 WeakPolarHBondContact O-CG1 3.32Å; V274-I278 PolarHBondContact O-N 3.04Å
275R91.5Very high84.1Confident87 Ų8763.6 Ų63.633%0.32833%0.325SS..Hα-helixtrans-58.3-50.1176.6-172.5-169.1-179.6178.70.3111.7S191 F271 E272 I278 I279S191-R275 PolarHBondContact O-NE 3.22Å; S191-R275 VanDerWaalsContact O-NE 3.1Å; S191-R275 PolarHBondContact O-NH2 3.44Å; F271-R275 WeakPolarHBondContact O-CB 3.31Å; F271-R275 PolarHBondContact O-N 3.12Å; E272-R275 PolarHBondContact O-N 3.44Å; E272-R275 WeakPolarHBondContact OE2-CD 3.4Å; R275-I278 PolarHBondContact O-N 3.18Å; R275-I279 HydrophobicContact CG-CD1 3.86Å; R275-I279 WeakPolarHBondContact O-CG1 3.22Å; R275-I279 PolarHBondContact O-N 2.83Å
276N91.4Very high86.4Confident82 Ų8262.2 Ų62.244%0.43932%0.318SS..Hα-helixtrans-68.1-36.2-179.4-76-72.5000112.4E272 K273 I279 S280E272-N276 WeakPolarHBondContact CG-ND2 3.3Å; E272-N276 WeakPolarHBondContact O-CB 3.49Å; E272-N276 PolarHBondContact O-N 3.11Å; E272-N276 PolarHBondContact O-ND2 3.18Å; E272-N276 PolarHBondContact OE1-ND2 3.06Å; K273-N276 PolarHBondContact O-N 3.08Å; N276-I279 PolarHBondContact O-N 3.16Å; N276-S280 VanDerWaalsContact O-CB 3.29Å; N276-S280 WeakPolarHBondContact O-CB 3.04Å; N276-S280 PolarHBondContact O-N 3.01Å; N276-S280 PolarHBondContact O-OG 3.45Å
277L92.9Very high88.2Confident45 Ų4561.7 Ų61.724%0.23632%0.318CS..Hα-helixtrans-56.6-52.2169.4174.562.4000110.3V240 L241 F246 K273 V274 S280 L281V240-L277 HydrophobicContact CG1-CD2 3.81Å; L241-L277 HydrophobicContact CD2-CD2 4.05Å; F246-L277 HydrophobicContact CZ-CD2 3.96Å; K273-L277 WeakPolarHBondContact O-CB 3.5Å; K273-L277 PolarHBondContact O-N 3.46Å; V274-L277 PolarHBondContact O-N 2.96Å; L277-S280 PolarHBondContact O-N 3.33Å; L277-S280 VanDerWaalsContact O-N 3.17Å; L277-S280 PolarHBondContact O-OG 2.96Å; L277-L281 PolarHBondContact O-N 3.31Å
278I94.4Very high89.7Confident0 Ų059.7 Ų59.70%032%0.32CS..Hα-helixtrans-57.7-54179.1-65.7165.8000110.1L182 Y192 W196 I234 L241 V274 R275 S280 L281L182-I278 HydrophobicContact CD1-CD1 4.37Å; L182-I278 HydrophobicContact CD2-CD1 3.63Å; Y192-I278 HydrophobicContact CD1-CG2 4.1Å; Y192-I278 HydrophobicContact CD2-CG2 3.69Å; Y192-I278 HydrophobicContact CE2-CG2 4.31Å; Y192-I278 HydrophobicContact CG-CG2 3.61Å; W196-I278 HydrophobicContact CH2-CG2 4.36Å; W196-I278 WeakPolarHBondContact CZ2-O 3.27Å; I234-I278 HydrophobicContact CD1-CG2 4.27Å; I234-I278 HydrophobicContact CG1-CG2 4.3Å; L241-I278 HydrophobicContact CD1-CG1 4.31Å; L241-I278 HydrophobicContact CD2-CD1 4.2Å; L241-I278 HydrophobicContact CD2-CG1 3.89Å; V274-I278 HydrophobicContact CG1-CD1 3.82Å; V274-I278 HydrophobicContact CG1-CG1 4.44Å; V274-I278 VanDerWaalsContact O-CG1 3.3Å; V274-I278 WeakPolarHBondContact O-CG1 3.32Å; V274-I278 PolarHBondContact O-N 3.04Å; R275-I278 PolarHBondContact O-N 3.18Å; I278-S280 PolarHBondContact O-N 2.86Å; I278-S280 VanDerWaalsContact O-N 3.09Å; I278-L281 HydrophobicContact CG2-CD1 4.33Å; I278-L281 WeakPolarHBondContact O-CB 3.35Å; I278-L281 WeakPolarHBondContact O-CG 3.47Å; I278-L281 PolarHBondContact O-N 3.2Å
279I94.4Very high90.8Very high30 Ų3055.9 Ų55.915%0.15430%0.304CS..Hα-helixtrans-53.9-35179.7-69.6169.3000112.1W196 F204 R275 N276 L281 P282W196-I279 PolarHBondContact NE1-O 3.24Å; W196-I279 VanDerWaalsContact NE1-O 3.13Å; F204-I279 HydrophobicContact CD1-CG2 4.11Å; F204-I279 HydrophobicContact CE1-CG2 3.53Å; F204-I279 HydrophobicContact CZ-CG2 4.46Å; R275-I279 HydrophobicContact CG-CD1 3.86Å; R275-I279 WeakPolarHBondContact O-CG1 3.22Å; R275-I279 PolarHBondContact O-N 2.83Å; N276-I279 PolarHBondContact O-N 3.16Å; I279-L281 PolarHBondContact O-N 3.32Å; I279-P282 VanDerWaalsContact O-CD 3.28Å; I279-P282 WeakPolarHBondContact O-CD 3.32Å
280S94.2Very high91.5Very high38 Ų3852.5 Ų52.527%0.26628%0.283SS..Hα-helixtrans-76.8-11.7-17977.10000115.8N276 L277 I278 P282 K283N276-S280 VanDerWaalsContact O-CB 3.29Å; N276-S280 WeakPolarHBondContact O-CB 3.04Å; N276-S280 PolarHBondContact O-N 3.01Å; N276-S280 PolarHBondContact O-OG 3.45Å; L277-S280 PolarHBondContact O-N 3.33Å; L277-S280 VanDerWaalsContact O-N 3.17Å; L277-S280 PolarHBondContact O-OG 2.96Å; I278-S280 PolarHBondContact O-N 2.86Å; I278-S280 VanDerWaalsContact O-N 3.09Å; S280-P282 VanDerWaalsContact C-N 3.33Å; S280-P282 WeakPolarHBondContact O-CD 3.38Å; S280-P282 VanDerWaalsContact O-N 3.14Å; S280-K283 VanDerWaalsContact O-CB 3.3Å; S280-K283 WeakPolarHBondContact O-CB 3.2Å; S280-K283 WeakPolarHBondContact O-CG 3.41Å; S280-K283 PolarHBondContact O-N 3.39Å
281L94.9Very high91.9Very high32 Ų3254.8 Ų54.817%0.16830%0.299CS..THydrogen-bonded Turntrans-55-28.2-174.2-67.5172.5000116.8W196 L233 I234 A237 L277 I278 I279 P284W196-L281 HydrophobicContact CH2-CB 4.45Å; W196-L281 HydrophobicContact CH2-CD1 4.48Å; W196-L281 HydrophobicContact CZ2-CB 4.19Å; L233-L281 HydrophobicContact CB-CB 4.29Å; L233-L281 HydrophobicContact CD2-CB 4.5Å; I234-L281 HydrophobicContact CG1-CD1 4.27Å; A237-L281 HydrophobicContact CB-CD1 3.63Å; A237-L281 HydrophobicContact CB-CD2 3.66Å; A237-L281 HydrophobicContact CB-CG 4.31Å; L277-L281 PolarHBondContact O-N 3.31Å; I278-L281 HydrophobicContact CG2-CD1 4.33Å; I278-L281 WeakPolarHBondContact O-CB 3.35Å; I278-L281 WeakPolarHBondContact O-CG 3.47Å; I278-L281 PolarHBondContact O-N 3.2Å; I279-L281 PolarHBondContact O-N 3.32Å; L281-P284 WeakPolarHBondContact O-CD 3.42Å
282P95.2Very high92.2Very high0 Ų055.2 Ų55.20%031%0.31CS..THydrogen-bonded Turntrans-73.8-24.6175-14.629.2000113.7W196 F201 F204 I205 L233 I279 S280 M285W196-P282 HydrophobicContact CD2-CG 4.27Å; W196-P282 HydrophobicContact CG-CG 4.44Å; W196-P282 HydrophobicContact CZ2-CG 3.89Å; F201-P282 HydrophobicContact CD1-CB 4.03Å; F201-P282 HydrophobicContact CD1-CG 3.81Å; F201-P282 HydrophobicContact CE1-CG 4.07Å; F204-P282 HydrophobicContact CB-CB 3.86Å; F204-P282 HydrophobicContact CB-CG 3.81Å; F204-P282 CarbonylContact O-C 3.56Å; I205-P282 HydrophobicContact CD1-CB 4.05Å; I205-P282 HydrophobicContact CG1-CB 3.55Å; L233-P282 HydrophobicContact CD1-CB 4.32Å; L233-P282 HydrophobicContact CD1-CG 3.92Å; I279-P282 VanDerWaalsContact O-CD 3.28Å; I279-P282 WeakPolarHBondContact O-CD 3.32Å; S280-P282 VanDerWaalsContact C-N 3.33Å; S280-P282 WeakPolarHBondContact O-CD 3.38Å; S280-P282 VanDerWaalsContact O-N 3.14Å; P282-M285 WeakPolarHBondContact O-CB 3.27Å; P282-M285 PolarHBondContact O-N 3.12Å
283K93.7Very high92.6Very high132 Ų13251.7 Ų51.757%0.57429%0.294SS*.THydrogen-bonded Turntrans-54.6-42-171.2-66.5-176.2177.9-172.60115.6F204 S280 M285F204-K283 VanDerWaalsContact O-CA 3.25Å; F204-K283 WeakPolarHBondContact O-CA 3.49Å; F204-K283 VanDerWaalsContact O-CG 3.28Å; F204-K283 WeakPolarHBondContact O-CG 3.24Å; F204-K283 PolarHBondContact O-N 3.41Å; S280-K283 VanDerWaalsContact O-CB 3.3Å; S280-K283 WeakPolarHBondContact O-CB 3.2Å; S280-K283 WeakPolarHBondContact O-CG 3.41Å; S280-K283 PolarHBondContact O-N 3.39Å; K283-M285 VanDerWaalsContact C-N 3.28Å; K283-M285 PolarHBondContact O-N 3.44Å
284P93.1Very high92.8Very high106 Ų10647.7 Ų47.769%0.68828%0.277SS*.THydrogen-bonded Turntrans-78.2-1.917931.3-37.1000114.8L281 C286L281-P284 WeakPolarHBondContact O-CD 3.42Å; P284-C286 PolarHBondContact O-N 2.87Å
285M94Very high92.9Very high15 Ų1551.9 Ų51.97%0.07430%0.299CS..  trans-63.2128.5-177.9-171.9-175.7-6000111.5I205 V209 I229 L233 P282 K283 D289 L290 L293I205-M285 HydrophobicContact CD1-CE 4.04Å; I205-M285 HydrophobicContact CD1-SD 3.85Å; V209-M285 HydrophobicContact CG1-CG 4.34Å; I229-M285 HydrophobicContact CG2-CE 4.49Å; L233-M285 HydrophobicContact CD2-CE 4.09Å; P282-M285 WeakPolarHBondContact O-CB 3.27Å; P282-M285 PolarHBondContact O-N 3.12Å; K283-M285 VanDerWaalsContact C-N 3.28Å; K283-M285 PolarHBondContact O-N 3.44Å; M285-D289 HydrophobicContact CG-CB 4.44Å; M285-L290 HydrophobicContact CG-CD2 4.42Å; M285-L290 HydrophobicContact SD-CD2 3.72Å; M285-L293 HydrophobicContact CE-CD1 3.79Å; M285-L293 HydrophobicContact SD-CD1 4.11Å
286C93.9Very high93Very high56 Ų5651.3 Ų51.338%0.37830%0.302SS..  trans-113.4169175.881.90000112.4P284 G288 D289P284-C286 PolarHBondContact O-N 2.87Å; C286-G288 PolarHBondContact O-N 2.85Å; C286-G288 PolarHBondContact SG-N 3.02Å; C286-D289 PolarHBondContact N-OD2 3.16Å; C286-D289 PolarHBondContact O-N 3.38Å; C286-D289 VanDerWaalsContact SG-CG 3.52Å; C286-D289 PolarHBondContact SG-OD2 2.95Å
287V92Very high93.1Very high73 Ų7347.5 Ų47.544%0.44228%0.281SS..THydrogen-bonded Turntrans-61.8-28.5179.8-173.50000112.4V209 L290V209-V287 HydrophobicContact CB-CG2 4.47Å; V209-V287 HydrophobicContact CG2-CG2 3.87Å; V287-L290 HydrophobicContact CG1-CD1 4.41Å; V287-L290 WeakPolarHBondContact O-CB 3.27Å
288G90.6Very high93.1Very high52 Ų5249.6 Ų49.654%0.53629%0.29SS..THydrogen-bonded Turntrans-65.1-41.3176.700000112.9C286 L290 T291C286-G288 PolarHBondContact O-N 2.85Å; C286-G288 PolarHBondContact SG-N 3.02Å; G288-L290 PolarHBondContact O-N 3.25Å; G288-T291 PolarHBondContact O-N 3.2Å
289D92.3Very high93Very high74 Ų7453.8 Ų53.840%0.39632%0.315SS..Hα-helixtrans-63.2-27.9-177.6-54.2-43000112.3M285 C286 T291 S292 L293M285-D289 HydrophobicContact CG-CB 4.44Å; C286-D289 PolarHBondContact N-OD2 3.16Å; C286-D289 PolarHBondContact O-N 3.38Å; C286-D289 VanDerWaalsContact SG-CG 3.52Å; C286-D289 PolarHBondContact SG-OD2 2.95Å; D289-T291 PolarHBondContact O-N 3.21Å; D289-T291 VanDerWaalsContact O-N 3.08Å; D289-S292 PolarHBondContact O-N 2.81Å; D289-S292 VanDerWaalsContact O-N 3.16Å; D289-L293 VanDerWaalsContact O-CB 3.24Å; D289-L293 WeakPolarHBondContact O-CB 3.34Å; D289-L293 PolarHBondContact O-N 3.08Å
290L92.2Very high93Very high11 Ų1153.8 Ų53.86%0.05832%0.315CS..Hα-helixtrans-58.4-24.3-177.4-62-178.7000113.6V209 S212 L213 L216 M285 V287 G288 V294V209-L290 HydrophobicContact CG1-CD1 4.34Å; S212-L290 VanDerWaalsContact CB-CD1 3.45Å; L213-L290 HydrophobicContact CB-CD2 4.24Å; L213-L290 HydrophobicContact CD1-CD2 3.89Å; L216-L290 HydrophobicContact CD1-CB 4.29Å; L216-L290 HydrophobicContact CD1-CD2 4.44Å; M285-L290 HydrophobicContact CG-CD2 4.42Å; M285-L290 HydrophobicContact SD-CD2 3.72Å; V287-L290 HydrophobicContact CG1-CD1 4.41Å; V287-L290 WeakPolarHBondContact O-CB 3.27Å; G288-L290 PolarHBondContact O-N 3.25Å; L290-V294 WeakPolarHBondContact O-CG2 3.34Å; L290-V294 PolarHBondContact O-N 3.2Å
291T90.9Very high93Very high79 Ų7954.4 Ų54.449%0.48531%0.314SS..Hα-helixtrans-72.4-57.7174.2-54.40000110.2G288 D289 L293 V294 D295G288-T291 PolarHBondContact O-N 3.2Å; D289-T291 PolarHBondContact O-N 3.21Å; D289-T291 VanDerWaalsContact O-N 3.08Å; T291-L293 PolarHBondContact O-N 3.23Å; T291-V294 WeakPolarHBondContact O-CB 3.34Å; T291-V294 PolarHBondContact O-N 2.89Å; T291-D295 PolarHBondContact O-N 3.05Å
292S91.5Very high92.9Very high68 Ų6855.8 Ų55.848%0.47632%0.322SS..Hα-helixtrans-60.8-33.9178.2-53.90000112.7D289 D295 I296D289-S292 PolarHBondContact O-N 2.81Å; D289-S292 VanDerWaalsContact O-N 3.16Å; S292-D295 PolarHBondContact O-N 3.31Å; S292-I296 WeakPolarHBondContact O-CB 3.16Å; S292-I296 WeakPolarHBondContact O-CD1 3.33Å; S292-I296 WeakPolarHBondContact O-CG1 3.2Å; S292-I296 PolarHBondContact O-N 3.42Å
293L93Very high92.8Very high13 Ų1357.4 Ų57.47%0.06833%0.331CS..Hα-helixtrans-60-42.4173.4173.3146.5000111.9L216 I229 L232 M285 D289 T291 I297L216-L293 HydrophobicContact CD1-CD2 4.1Å; I229-L293 HydrophobicContact CG1-CD2 4.39Å; I229-L293 HydrophobicContact CG2-CD1 4.41Å; L232-L293 HydrophobicContact CD2-CB 4.23Å; L232-L293 HydrophobicContact CD2-CD1 4.35Å; L232-L293 HydrophobicContact CD2-CG 3.98Å; M285-L293 HydrophobicContact CE-CD1 3.79Å; M285-L293 HydrophobicContact SD-CD1 4.11Å; D289-L293 VanDerWaalsContact O-CB 3.24Å; D289-L293 WeakPolarHBondContact O-CB 3.34Å; D289-L293 PolarHBondContact O-N 3.08Å; T291-L293 PolarHBondContact O-N 3.23Å; L293-I297 HydrophobicContact CD2-CD1 3.69Å; L293-I297 HydrophobicContact CG-CD1 3.82Å; L293-I297 WeakPolarHBondContact O-CB 3.1Å; L293-I297 WeakPolarHBondContact O-CD1 3.45Å; L293-I297 WeakPolarHBondContact O-CG1 3.22Å; L293-I297 PolarHBondContact O-N 2.73Å
294V92.4Very high92.9Very high8 Ų851.6 Ų51.65%0.04831%0.306CS..Hα-helixtrans-63.6-46.2176166.30000110.8M1 L216 L290 T291 I297 E298M1-V294 HydrophobicContact SD-CG1 4.44Å; L216-V294 HydrophobicContact CD1-CG2 3.57Å; L216-V294 HydrophobicContact CD2-CG2 3.72Å; L216-V294 HydrophobicContact CG-CG2 4.23Å; L290-V294 WeakPolarHBondContact O-CG2 3.34Å; L290-V294 PolarHBondContact O-N 3.2Å; T291-V294 WeakPolarHBondContact O-CB 3.34Å; T291-V294 PolarHBondContact O-N 2.89Å; V294-I297 PolarHBondContact O-N 3.44Å; V294-E298 PolarHBondContact O-N 3.08Å
295D91.7Very high93Very high89 Ų8946.6 Ų46.648%0.47627%0.274SS..Hα-helixtrans-67.6-43.4-175.3-55.5-26.3000111.3T291 S292 E298 V299T291-D295 PolarHBondContact O-N 3.05Å; S292-D295 PolarHBondContact O-N 3.31Å; D295-E298 WeakPolarHBondContact O-CB 3.43Å; D295-E298 PolarHBondContact O-N 3.06Å; D295-V299 PolarHBondContact O-N 3.41Å
296I93.7Very high92.9Very high75 Ų7550.6 Ų50.639%0.38529%0.294SS..Hα-helixtrans-69.7-37.5177.5-63.1163.4000111.4L232 S292 E298 V299 F300L232-I296 HydrophobicContact CD1-CB 4.43Å; L232-I296 HydrophobicContact CD1-CG2 3.65Å; L232-I296 HydrophobicContact CD2-CB 4.39Å; L232-I296 HydrophobicContact CD2-CG2 4.33Å; S292-I296 WeakPolarHBondContact O-CB 3.16Å; S292-I296 WeakPolarHBondContact O-CD1 3.33Å; S292-I296 WeakPolarHBondContact O-CG1 3.2Å; S292-I296 PolarHBondContact O-N 3.42Å; I296-E298 VanDerWaalsContact C-N 3.27Å; I296-E298 PolarHBondContact O-N 3.34Å; I296-V299 WeakPolarHBondContact O-CB 3.2Å; I296-V299 PolarHBondContact O-N 3.39Å; I296-F300 HydrophobicContact CG2-CD2 3.96Å; I296-F300 HydrophobicContact CG2-CE2 3.74Å; I296-F300 WeakPolarHBondContact O-CD2 3.49Å; I296-F300 PolarHBondContact O-N 3.33Å
297I94.6Very high92.9Very high1 Ų148 Ų481%0.00528%0.277CS..Hα-helixtrans-62.9-36.1173.2-77.6172.4000111.3L225 Y228 I229 L232 L293 V294 V299 F300 I301L225-I297 HydrophobicContact CD1-CD1 4.16Å; L225-I297 HydrophobicContact CD1-CG2 3.81Å; Y228-I297 HydrophobicContact CG-CG2 4.36Å; I229-I297 HydrophobicContact CB-CD1 4.34Å; I229-I297 HydrophobicContact CG1-CD1 3.43Å; I229-I297 VanDerWaalsContact CG1-CD1 3.43Å; L232-I297 HydrophobicContact CD2-CD1 4.43Å; L232-I297 HydrophobicContact CD2-CG1 4.1Å; L293-I297 HydrophobicContact CD2-CD1 3.69Å; L293-I297 HydrophobicContact CG-CD1 3.82Å; L293-I297 WeakPolarHBondContact O-CB 3.1Å; L293-I297 WeakPolarHBondContact O-CD1 3.45Å; L293-I297 WeakPolarHBondContact O-CG1 3.22Å; L293-I297 PolarHBondContact O-N 2.73Å; V294-I297 PolarHBondContact O-N 3.44Å; I297-V299 VanDerWaalsContact C-N 3.3Å; I297-V299 PolarHBondContact O-N 2.71Å; I297-F300 PolarHBondContact O-N 2.96Å; I297-I301 HydrophobicContact CG2-CD1 3.62Å; I297-I301 HydrophobicContact CG2-CG1 4.21Å; I297-I301 VanDerWaalsContact O-CG1 3.31Å; I297-I301 WeakPolarHBondContact O-CG1 3.22Å; I297-I301 PolarHBondContact O-N 3.45Å
298E92.2Very high93Very high89 Ų8944.5 Ų44.542%0.41626%0.256SS..Hα-helixtrans-63.3-38.1175.6-154.1132.1151.800111.5K220 V294 D295 I296 I301 N302K220-E298 IonicContact NZ-OE2 3.7Å; K220-E298 PolarHBondContact NZ-OE2 2.9Å; V294-E298 PolarHBondContact O-N 3.08Å; D295-E298 WeakPolarHBondContact O-CB 3.43Å; D295-E298 PolarHBondContact O-N 3.06Å; I296-E298 VanDerWaalsContact C-N 3.27Å; I296-E298 PolarHBondContact O-N 3.34Å; E298-I301 PolarHBondContact O-N 3.34Å; E298-N302 VanDerWaalsContact O-CB 3.31Å; E298-N302 WeakPolarHBondContact O-CB 3.09Å; E298-N302 PolarHBondContact O-N 2.92Å; E298-N302 PolarHBondContact O-ND2 3Å
299V92.8Very high93.1Very high88 Ų8846 Ų4653%0.53325%0.245SC..Hα-helixtrans-62.3-44.1170.7178.70000111.7D295 I296 I297 N302 N303D295-V299 PolarHBondContact O-N 3.41Å; I296-V299 WeakPolarHBondContact O-CB 3.2Å; I296-V299 PolarHBondContact O-N 3.39Å; I297-V299 VanDerWaalsContact C-N 3.3Å; I297-V299 PolarHBondContact O-N 2.71Å; V299-N302 PolarHBondContact O-N 2.85Å; V299-N303 WeakPolarHBondContact O-CB 3.45Å; V299-N303 PolarHBondContact O-N 2.72Å; V299-N303 PolarHBondContact O-ND2 2.9Å
300F94.8Very high93Very high31 Ų3144.8 Ų44.814%0.13624%0.242CC..Hα-helixtrans-64.2-42.5176.4-80.6-66.7000112.7H174 Y228 L231 L232 V235 I296 I297 N303 T304H174-F300 HydrophobicContact CB-CE1 4.23Å; H174-F300 AromaticContact CE1-CD1 3.91Å; H174-F300 AromaticContact CG-CD1 3.93Å; H174-F300 AromaticContact ND1-CD1 3.67Å; Y228-F300 HydrophobicContact CD1-CB 4.05Å; L231-F300 HydrophobicContact CD2-CB 4.36Å; L231-F300 HydrophobicContact CD2-CD1 3.5Å; L231-F300 HydrophobicContact CD2-CE1 3.82Å; L231-F300 HydrophobicContact CD2-CG 3.9Å; L231-F300 HydrophobicContact CD2-CZ 4.46Å; L231-F300 HydrophobicContact CG-CD1 4.41Å; L231-F300 HydrophobicContact CG-CE1 4.3Å; L232-F300 HydrophobicContact CB-CE2 4.43Å; L232-F300 HydrophobicContact CD1-CE2 4.23Å; V235-F300 HydrophobicContact CB-CZ 4.34Å; V235-F300 HydrophobicContact CG1-CZ 4.24Å; V235-F300 HydrophobicContact CG2-CZ 4.25Å; I296-F300 HydrophobicContact CG2-CD2 3.96Å; I296-F300 HydrophobicContact CG2-CE2 3.74Å; I296-F300 WeakPolarHBondContact O-CD2 3.49Å; I296-F300 PolarHBondContact O-N 3.33Å; I297-F300 PolarHBondContact O-N 2.96Å; F300-N303 CarbonylContact O-C 3.45Å; F300-N303 PolarHBondContact O-N 3.35Å; F300-T304 WeakPolarHBondContact O-CB 3.28Å; F300-T304 PolarHBondContact O-N 3.22Å; F300-T304 VanDerWaalsContact O-N 3.17Å; F300-T304 PolarHBondContact O-OG1 3.17Å
301I93.9Very high92.9Very high51 Ų5146.2 Ų46.226%0.26225%0.247SC..Hα-helixtrans-60.5-47.5175.3-70.8166.7000110.2Y228 I297 E298 N303 T304Y228-I301 HydrophobicContact CD1-CG1 3.98Å; Y228-I301 HydrophobicContact CD2-CD1 4.2Å; Y228-I301 HydrophobicContact CD2-CG1 3.83Å; Y228-I301 HydrophobicContact CE1-CG1 3.84Å; Y228-I301 HydrophobicContact CE2-CD1 4.31Å; Y228-I301 HydrophobicContact CE2-CG1 3.68Å; Y228-I301 HydrophobicContact CG-CG1 3.97Å; I297-I301 HydrophobicContact CG2-CD1 3.62Å; I297-I301 HydrophobicContact CG2-CG1 4.21Å; I297-I301 VanDerWaalsContact O-CG1 3.31Å; I297-I301 WeakPolarHBondContact O-CG1 3.22Å; I297-I301 PolarHBondContact O-N 3.45Å; E298-I301 PolarHBondContact O-N 3.34Å; I301-N303 PolarHBondContact O-N 2.74Å; I301-T304 PolarHBondContact O-N 3.23Å
302N92.1Very high92.9Very high61 Ų6142.6 Ų42.633%0.32622%0.224SC..Hα-helixtrans-69.4-17.3-179.9-68.8-21000113.6E298 V299E298-N302 VanDerWaalsContact O-CB 3.31Å; E298-N302 WeakPolarHBondContact O-CB 3.09Å; E298-N302 PolarHBondContact O-N 2.92Å; E298-N302 PolarHBondContact O-ND2 3Å; V299-N302 PolarHBondContact O-N 2.85Å
303N93.3Very high92.9Very high34 Ų3441.5 Ų41.518%0.18221%0.213CC..THydrogen-bonded Turntrans-98.612.6169.8-74.3-105.7000112.6H174 V299 F300 I301 K433 H434 Y463H174-N303 PolarHBondContact CE1-O 3.04Å; V299-N303 WeakPolarHBondContact O-CB 3.45Å; V299-N303 PolarHBondContact O-N 2.72Å; V299-N303 PolarHBondContact O-ND2 2.9Å; F300-N303 CarbonylContact O-C 3.45Å; F300-N303 PolarHBondContact O-N 3.35Å; I301-N303 PolarHBondContact O-N 2.74Å; N303-K433 PolarHBondContact OD1-NZ 2.96Å; N303-K433 VanDerWaalsContact OD1-NZ 3.11Å; N303-H434 PolarHBondContact O-CE1 3.44Å; N303-H434 VanDerWaalsContact O-CE1 3.31Å; N303-Y463 HydrophobicContact CB-CE1 4.25Å
304T95.6Very high92.7Very high10 Ų1043.3 Ų43.36%0.06123%0.226CC..SBendtrans-115.6127.8178.4-57.20000111.1L170 H174 Y228 F300 I301 I306 F308 L373L170-T304 HydrophobicContact CD1-CG2 3.98Å; H174-T304 PolarHBondContact CE1-OG1 2.98Å; H174-T304 PolarHBondContact NE2-OG1 3Å; Y228-T304 HydrophobicContact CE1-CG2 4.45Å; F300-T304 WeakPolarHBondContact O-CB 3.28Å; F300-T304 PolarHBondContact O-N 3.22Å; F300-T304 VanDerWaalsContact O-N 3.17Å; F300-T304 PolarHBondContact O-OG1 3.17Å; I301-T304 PolarHBondContact O-N 3.23Å; T304-I306 PolarHBondContact O-N 2.77Å; T304-F308 HydrophobicContact CG2-CB 3.72Å; T304-F308 HydrophobicContact CG2-CD1 4.1Å; T304-F308 HydrophobicContact CG2-CD2 4.49Å; T304-F308 HydrophobicContact CG2-CG 3.86Å; T304-L373 WeakPolarHBondContact O-CD1 3.47Å
305P94.8Very high92.4Very high1 Ų143 Ų431%0.00622%0.224CC..  trans-50.1137.2177-31.135.3000113.3Y173 S307 F308 M335 I337 E341 Y375Y173-P305 HydrophobicContact CE1-CG 3.99Å; Y173-P305 HydrophobicContact CE2-CG 4.47Å; Y173-P305 WeakPolarHBondContact OH-CG 3.38Å; P305-S307 PolarHBondContact O-N 3.4Å; P305-S307 VanDerWaalsContact O-N 3.14Å; P305-F308 VanDerWaalsContact O-CB 3.28Å; P305-F308 WeakPolarHBondContact O-CB 3.32Å; P305-F308 PolarHBondContact O-N 2.7Å; P305-M335 HydrophobicContact CG-CG 4.43Å; P305-I337 HydrophobicContact CB-CD1 3.72Å; P305-I337 HydrophobicContact CB-CG1 3.97Å; P305-I337 HydrophobicContact CG-CD1 3.37Å; P305-I337 HydrophobicContact CG-CG1 4.05Å; P305-E341 WeakPolarHBondContact CA-OE1 3.3Å; P305-E341 WeakPolarHBondContact CB-OE1 3.46Å; P305-Y375 WeakPolarHBondContact CB-OH 3.33Å
306I92.5Very high92.4Very high98 Ų9838.8 Ų38.850%0.50320%0.201SC..Hα-helixtrans-65.3-21.1178.4-164.1167.4000111.6T304 F308 R309 S310 E341T304-I306 PolarHBondContact O-N 2.77Å; I306-F308 VanDerWaalsContact C-N 3.27Å; I306-F308 PolarHBondContact O-N 2.86Å; I306-R309 WeakPolarHBondContact O-CB 3.45Å; I306-R309 PolarHBondContact O-N 3.1Å; I306-R309 VanDerWaalsContact O-N 3.08Å; I306-S310 PolarHBondContact O-N 2.88Å; I306-S310 PolarHBondContact O-OG 3.02Å; I306-E341 VanDerWaalsContact CG2-CD 3.49Å; I306-E341 HydrophobicContact CG2-CG 3.97Å; I306-E341 WeakPolarHBondContact CG2-OE2 3.34Å; I306-E341 PolarHBondContact N-OE1 2.96Å; I306-E341 PolarHBondContact N-OE2 3.4Å
307S93.6Very high92.2Very high2 Ų236.4 Ų36.41%0.01419%0.188CC..Hα-helixtrans-54-36.5167.5-65.10000113.4P305 R309 S310 R311 T338 E341P305-S307 PolarHBondContact O-N 3.4Å; P305-S307 VanDerWaalsContact O-N 3.14Å; S307-R309 VanDerWaalsContact C-N 3.34Å; S307-R309 PolarHBondContact O-N 2.84Å; S307-S310 WeakPolarHBondContact CA-OG 3.12Å; S307-S310 PolarHBondContact O-N 2.81Å; S307-S310 PolarHBondContact O-OG 3.45Å; S307-R311 WeakPolarHBondContact O-CB 3.03Å; S307-R311 PolarHBondContact O-N 2.83Å; S307-T338 PolarHBondContact OG-N 3.14Å; S307-T338 PolarHBondContact OG-OG1 3.37Å; S307-E341 WeakPolarHBondContact CB-OE2 3.36Å; S307-E341 PolarHBondContact N-OE2 3.48Å; S307-E341 PolarHBondContact OG-OE2 2.9Å
308F94.5Very high91.6Very high0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-57.1-49173.3177-91.4000110.5V166 L170 L224 F227 Y228 T304 P305 I306 Y312 M335V166-F308 HydrophobicContact CG1-CE2 3.7Å; V166-F308 HydrophobicContact CG1-CZ 3.91Å; L170-F308 HydrophobicContact CB-CE2 3.93Å; L170-F308 HydrophobicContact CB-CZ 4.31Å; L170-F308 HydrophobicContact CD1-CD2 4.27Å; L170-F308 HydrophobicContact CD1-CE2 3.99Å; L170-F308 HydrophobicContact CD1-CZ 4.17Å; L170-F308 HydrophobicContact CD2-CE2 4.39Å; L170-F308 HydrophobicContact CD2-CZ 3.96Å; L170-F308 HydrophobicContact CG-CE2 4.32Å; L170-F308 HydrophobicContact CG-CZ 4.38Å; L224-F308 HydrophobicContact CD1-CD1 4.39Å; L224-F308 HydrophobicContact CD1-CE1 4.19Å; L224-F308 HydrophobicContact CD2-CE1 4.17Å; F227-F308 HydrophobicContact CB-CZ 4.48Å; F227-F308 HydrophobicContact CD1-CZ 4.45Å; F227-F308 HydrophobicContact CG-CZ 4.49Å; Y228-F308 HydrophobicContact CE2-CE1 4.49Å; T304-F308 HydrophobicContact CG2-CB 3.72Å; T304-F308 HydrophobicContact CG2-CD1 4.1Å; T304-F308 HydrophobicContact CG2-CD2 4.49Å; T304-F308 HydrophobicContact CG2-CG 3.86Å; P305-F308 VanDerWaalsContact O-CB 3.28Å; P305-F308 WeakPolarHBondContact O-CB 3.32Å; P305-F308 PolarHBondContact O-N 2.7Å; I306-F308 VanDerWaalsContact C-N 3.27Å; I306-F308 PolarHBondContact O-N 2.86Å; F308-Y312 HydrophobicContact CB-CD2 4.37Å; F308-Y312 AromaticContact CD2-CD2 3.38Å; F308-Y312 HydrophobicContact CD2-CD2 3.38Å; F308-Y312 AromaticContact CD2-CE2 3.49Å; F308-Y312 HydrophobicContact CD2-CE2 3.49Å; F308-Y312 VanDerWaalsContact CD2-CE2 3.49Å; F308-Y312 AromaticContact CE2-CD2 3.64Å; F308-Y312 HydrophobicContact CE2-CD2 3.64Å; F308-Y312 AromaticContact CE2-CE2 3.94Å; F308-Y312 HydrophobicContact CE2-CE2 3.94Å; F308-Y312 AromaticContact CG-CD2 3.86Å; F308-Y312 HydrophobicContact CG-CD2 3.86Å; F308-Y312 HydrophobicContact CG-CE2 4.23Å; F308-Y312 HydrophobicContact CZ-CD2 4.34Å; F308-Y312 WeakPolarHBondContact O-CB 3.43Å; F308-Y312 VanDerWaalsContact O-CD2 3.22Å; F308-Y312 WeakPolarHBondContact O-CD2 3.28Å; F308-Y312 PolarHBondContact O-N 3.19Å; F308-M335 HydrophobicContact CB-SD 4.21Å; F308-M335 HydrophobicContact CD2-CE 3.72Å; F308-M335 HydrophobicContact CD2-SD 3.76Å; F308-M335 HydrophobicContact CE2-CE 4.34Å; F308-M335 HydrophobicContact CG-SD 4.48Å
309R93.2Very high90.3Very high84 Ų8440 Ų4032%0.31722%0.215SC..Hα-helixtrans-64.7-50.2177.9-178.4175.8-160.375.314.2111.7D222 L224 I306 S307 R311 L313D222-R309 VanDerWaalsContact CG-NH2 3.3Å; D222-R309 IonicContact OD1-CZ 3.65Å; D222-R309 VanDerWaalsContact OD1-CZ 3.28Å; D222-R309 IonicContact OD1-NH1 3.12Å; D222-R309 PolarHBondContact OD1-NH1 2.89Å; D222-R309 IonicContact OD1-NH2 3.89Å; D222-R309 PolarHBondContact OD1-NH2 2.91Å; D222-R309 IonicContact OD2-CZ 3.14Å; D222-R309 IonicContact OD2-NH1 3.17Å; D222-R309 PolarHBondContact OD2-NH1 3.49Å; D222-R309 IonicContact OD2-NH2 3.53Å; L224-R309 HydrophobicContact CD1-CB 4.25Å; L224-R309 HydrophobicContact CD1-CG 4.08Å; I306-R309 WeakPolarHBondContact O-CB 3.45Å; I306-R309 PolarHBondContact O-N 3.1Å; I306-R309 VanDerWaalsContact O-N 3.08Å; S307-R309 VanDerWaalsContact C-N 3.34Å; S307-R309 PolarHBondContact O-N 2.84Å; R309-R311 VanDerWaalsContact C-N 3.33Å; R309-R311 PolarHBondContact O-N 2.91Å; R309-L313 WeakPolarHBondContact O-CB 3.31Å; R309-L313 PolarHBondContact O-N 3.49Å
310S90.7Very high88.6Confident47 Ų4738.4 Ų38.433%0.32921%0.211SC..Hα-helixtrans-70.9-28.5-172.959.40000113.4I306 S307 P314I306-S310 PolarHBondContact O-N 2.88Å; I306-S310 PolarHBondContact O-OG 3.02Å; S307-S310 WeakPolarHBondContact CA-OG 3.12Å; S307-S310 PolarHBondContact O-N 2.81Å; S307-S310 PolarHBondContact O-OG 3.45Å; S310-P314 WeakPolarHBondContact O-CD 3.48Å; S310-P314 WeakPolarHBondContact O-CG 3.48Å
311R88.5Confident86.9Confident42 Ų4245.2 Ų45.216%0.15824%0.243CC..Hα-helixtrans-85.1-49.6178-173.851.8162.1-104.2-11.1112.5S307 R309 P314 I315 E325 E468S307-R311 WeakPolarHBondContact O-CB 3.03Å; S307-R311 PolarHBondContact O-N 2.83Å; R309-R311 VanDerWaalsContact C-N 3.33Å; R309-R311 PolarHBondContact O-N 2.91Å; R311-P314 WeakPolarHBondContact O-CD 3.19Å; R311-P314 WeakPolarHBondContact O-CG 3.22Å; R311-I315 HydrophobicContact CG-CD1 4.09Å; R311-I315 WeakPolarHBondContact O-CD1 3.48Å; R311-I315 VanDerWaalsContact O-CG1 3.29Å; R311-I315 WeakPolarHBondContact O-CG1 3.45Å; R311-E325 IonicContact NE-OE2 3.66Å; R311-E468 IonicContact CZ-OE1 2.77Å; R311-E468 IonicContact CZ-OE2 3.26Å; R311-E468 IonicContact NH1-OE1 3.26Å; R311-E468 PolarHBondContact NH1-OE1 3.02Å; R311-E468 IonicContact NH1-OE2 2.69Å; R311-E468 PolarHBondContact NH1-OE2 2.83Å; R311-E468 IonicContact NH2-OE1 2.85Å; R311-E468 PolarHBondContact NH2-OE1 3.33Å; R311-E468 IonicContact NH2-OE2 3.94Å
312Y91.1Very high85.3Confident2 Ų244.4 Ų44.41%0.00824%0.239CC..Hα-helixtrans-86.9-27.5-168.9-54.8-50000114.5V166 F308 I315 L316 L329 M335 P336V166-Y312 HydrophobicContact CG1-CD1 4.42Å; V166-Y312 HydrophobicContact CG1-CD2 3.73Å; V166-Y312 HydrophobicContact CG1-CE2 4.26Å; V166-Y312 HydrophobicContact CG1-CG 3.8Å; V166-Y312 HydrophobicContact CG2-CD1 3.56Å; V166-Y312 HydrophobicContact CG2-CD2 4.3Å; V166-Y312 HydrophobicContact CG2-CE1 3.85Å; V166-Y312 HydrophobicContact CG2-CG 3.8Å; F308-Y312 HydrophobicContact CB-CD2 4.37Å; F308-Y312 AromaticContact CD2-CD2 3.38Å; F308-Y312 HydrophobicContact CD2-CD2 3.38Å; F308-Y312 AromaticContact CD2-CE2 3.49Å; F308-Y312 HydrophobicContact CD2-CE2 3.49Å; F308-Y312 VanDerWaalsContact CD2-CE2 3.49Å; F308-Y312 AromaticContact CE2-CD2 3.64Å; F308-Y312 HydrophobicContact CE2-CD2 3.64Å; F308-Y312 AromaticContact CE2-CE2 3.94Å; F308-Y312 HydrophobicContact CE2-CE2 3.94Å; F308-Y312 AromaticContact CG-CD2 3.86Å; F308-Y312 HydrophobicContact CG-CD2 3.86Å; F308-Y312 HydrophobicContact CG-CE2 4.23Å; F308-Y312 HydrophobicContact CZ-CD2 4.34Å; F308-Y312 WeakPolarHBondContact O-CB 3.43Å; F308-Y312 VanDerWaalsContact O-CD2 3.22Å; F308-Y312 WeakPolarHBondContact O-CD2 3.28Å; F308-Y312 PolarHBondContact O-N 3.19Å; Y312-I315 PolarHBondContact O-N 2.85Å; Y312-L316 WeakPolarHBondContact O-CB 3.45Å; Y312-L316 WeakPolarHBondContact O-CG 3.44Å; Y312-L316 PolarHBondContact O-N 2.83Å; Y312-L329 HydrophobicContact CD1-CD2 3.95Å; Y312-L329 HydrophobicContact CE1-CD2 3.51Å; Y312-M335 HydrophobicContact CE2-SD 4.1Å; Y312-P336 WeakPolarHBondContact OH-CD 3.34Å; Y312-P336 WeakPolarHBondContact OH-CG 3.47Å
313L91.5Very high83.8Confident46 Ų4648.1 Ų48.124%0.24125%0.254CS..Hα-helixtrans-56.2-51.5175.2-174.867.3000113.3P223 L224 R309 I315 F317P223-L313 HydrophobicContact CB-CD1 4.08Å; P223-L313 HydrophobicContact CG-CD1 3.86Å; L224-L313 HydrophobicContact CD1-CB 4.1Å; L224-L313 HydrophobicContact CD1-CD1 4.42Å; L224-L313 HydrophobicContact CG-CD1 4.18Å; R309-L313 WeakPolarHBondContact O-CB 3.31Å; R309-L313 PolarHBondContact O-N 3.49Å; L313-I315 VanDerWaalsContact C-N 3.32Å; L313-I315 PolarHBondContact O-N 2.78Å; L313-F317 HydrophobicContact CD1-CB 4.35Å; L313-F317 HydrophobicContact CD1-CD2 4.06Å; L313-F317 PolarHBondContact O-N 2.76Å
314P88.9Confident82.3Confident51 Ų5150.5 Ų50.533%0.33127%0.273SS..Hα-helixtrans-71.8-24.617829.8-36.8000113.5S310 R311 G318S310-P314 WeakPolarHBondContact O-CD 3.48Å; S310-P314 WeakPolarHBondContact O-CG 3.48Å; R311-P314 WeakPolarHBondContact O-CD 3.19Å; R311-P314 WeakPolarHBondContact O-CG 3.22Å; P314-G318 VanDerWaalsContact O-CA 3.29Å; P314-G318 WeakPolarHBondContact O-CA 3.21Å; P314-G318 PolarHBondContact O-N 3.28Å
315I86.8Confident80.8Confident2 Ų253 Ų531%0.0129%0.285CS..Hα-helixtrans-73.5-40.3178.1-74.6178.2000111.4R311 Y312 L313 E325 R326 L329R311-I315 HydrophobicContact CG-CD1 4.09Å; R311-I315 WeakPolarHBondContact O-CD1 3.48Å; R311-I315 VanDerWaalsContact O-CG1 3.29Å; R311-I315 WeakPolarHBondContact O-CG1 3.45Å; Y312-I315 PolarHBondContact O-N 2.85Å; L313-I315 VanDerWaalsContact C-N 3.32Å; L313-I315 PolarHBondContact O-N 2.78Å; I315-E325 HydrophobicContact CD1-CB 4.03Å; I315-E325 HydrophobicContact CG1-CB 4.48Å; I315-R326 HydrophobicContact CG2-CG 4.14Å; I315-R326 PolarHBondContact O-NH2 3.49Å; I315-L329 HydrophobicContact CD1-CD2 4.06Å; I315-L329 HydrophobicContact CG2-CD1 3.86Å
316L90.8Very high79.5Confident0 Ų054.4 Ų54.40%029%0.29CS..Hα-helixtrans-96.2-36.7-173.3-61177.3000113.4A154 T155 I159 C162 V163 V166 F227 Y312A154-L316 CarbonylContact C-O 3.57Å; A154-L316 VanDerWaalsContact CA-O 3.31Å; A154-L316 WeakPolarHBondContact CA-O 3.33Å; A154-L316 HydrophobicContact CB-CB 4.44Å; T155-L316 PolarHBondContact N-O 2.75Å; I159-L316 HydrophobicContact CD1-CD2 3.67Å; C162-L316 HydrophobicContact CB-CD2 3.96Å; V163-L316 HydrophobicContact CG2-CD1 4.41Å; V163-L316 HydrophobicContact CG2-CD2 3.82Å; V166-L316 HydrophobicContact CB-CD1 4.33Å; V166-L316 HydrophobicContact CG1-CD1 4.15Å; V166-L316 HydrophobicContact CG2-CD1 4.3Å; F227-L316 HydrophobicContact CE1-CD1 4.39Å; F227-L316 HydrophobicContact CE2-CD1 4.13Å; F227-L316 HydrophobicContact CZ-CD1 3.61Å; Y312-L316 WeakPolarHBondContact O-CB 3.45Å; Y312-L316 WeakPolarHBondContact O-CG 3.44Å; Y312-L316 PolarHBondContact O-N 2.83Å
317F90.2Very high78.4Confident25 Ų2552.8 Ų52.811%0.1129%0.287CS..Hα-helixtrans-121.418.6-173.9-55.3-86.7000112.6A154 P223 L224 F227 L313A154-F317 HydrophobicContact CB-CD1 4.28Å; A154-F317 HydrophobicContact CB-CE1 3.85Å; A154-F317 HydrophobicContact CB-CZ 4.1Å; P223-F317 HydrophobicContact CB-CB 4.34Å; P223-F317 HydrophobicContact CB-CD1 3.68Å; P223-F317 HydrophobicContact CB-CD2 3.77Å; P223-F317 HydrophobicContact CB-CE1 3.8Å; P223-F317 HydrophobicContact CB-CE2 3.89Å; P223-F317 HydrophobicContact CB-CG 3.66Å; P223-F317 HydrophobicContact CB-CZ 3.89Å; P223-F317 HydrophobicContact CG-CG 4.41Å; L224-F317 HydrophobicContact CD2-CE2 4.09Å; F227-F317 HydrophobicContact CE2-CE2 4.14Å; F227-F317 HydrophobicContact CE2-CZ 4.22Å; L313-F317 HydrophobicContact CD1-CB 4.35Å; L313-F317 HydrophobicContact CD1-CD2 4.06Å; L313-F317 PolarHBondContact O-N 2.76Å
318G81Confident77.4Confident20 Ų2055.4 Ų55.421%0.20630%0.303CS..  trans-112137.4178.900000113P314 A320P314-G318 VanDerWaalsContact O-CA 3.29Å; P314-G318 WeakPolarHBondContact O-CA 3.21Å; P314-G318 PolarHBondContact O-N 3.28Å; G318-A320 PolarHBondContact O-N 3.27Å
319N66.8Low76.7Confident146 Ų14655.6 Ų55.678%0.78130%0.304SS*.SBendtrans-72.420.1-176.7-53.926.7000114.3
320A57.1Low76.1Confident54 Ų5456 Ų5645%0.44631%0.308SS..SBendtrans-105.3130.4-175.400000111G318 I322G318-A320 PolarHBondContact O-N 3.27Å; A320-I322 HydrophobicContact CB-CD1 4.11Å; A320-I322 HydrophobicContact CB-CG1 3.64Å; A320-I322 PolarHBondContact O-N 3.28Å
321Q57.5Low75.8Confident174 Ų17458.3 Ų58.381%0.81332%0.317SS*.  trans-75.571.7171.1-70.6-178-52.700110.4E323Q321-E323 PolarHBondContact O-N 3.12Å
322I61.2Low75.8Confident33 Ų3357.2 Ų57.217%0.16932%0.317CS..  trans-84.661178.2-28179000110.7A320 S324 E325 R326A320-I322 HydrophobicContact CB-CD1 4.11Å; A320-I322 HydrophobicContact CB-CG1 3.64Å; A320-I322 PolarHBondContact O-N 3.28Å; I322-S324 PolarHBondContact O-N 3.2Å; I322-E325 HydrophobicContact CB-CB 4.26Å; I322-E325 HydrophobicContact CG2-CB 3.66Å; I322-E325 HydrophobicContact CG2-CG 3.58Å; I322-E325 PolarHBondContact O-N 2.68Å; I322-R326 PolarHBondContact O-N 3.46Å
323E61.3Low75.9Confident139 Ų13960.8 Ų60.865%0.6534%0.335SS*.Hα-helixtrans-56.9-36.3-179.2-62.3-175.315900112Q321 R326 S327Q321-E323 PolarHBondContact O-N 3.12Å; E323-R326 PolarHBondContact O-N 3.1Å; E323-S327 PolarHBondContact O-N 3.43Å
324S60.4Low76Confident84 Ų8458.8 Ų58.859%0.58733%0.326SS*.Hα-helixtrans-60.6-49.2175.749.40000112.8I322 S327I322-S324 PolarHBondContact O-N 3.2Å; S324-S327 WeakPolarHBondContact O-CB 3.49Å; S324-S327 PolarHBondContact O-N 3.43Å; S324-S327 PolarHBondContact O-OG 2.82Å
325E64.8Low76.3Confident64 Ų6456.4 Ų56.430%0.29931%0.31SS..Hα-helixtrans-71.6-32.4179.1-72.7179.1-150.100112.2R311 I315 I322 S327 V328R311-E325 IonicContact NE-OE2 3.66Å; I315-E325 HydrophobicContact CD1-CB 4.03Å; I315-E325 HydrophobicContact CG1-CB 4.48Å; I322-E325 HydrophobicContact CB-CB 4.26Å; I322-E325 HydrophobicContact CG2-CB 3.66Å; I322-E325 HydrophobicContact CG2-CG 3.58Å; I322-E325 PolarHBondContact O-N 2.68Å; E325-S327 VanDerWaalsContact C-N 3.26Å; E325-S327 PolarHBondContact O-N 3.04Å; E325-V328 PolarHBondContact O-N 2.94Å; E325-V328 VanDerWaalsContact O-N 3.17Å
326R68.4Low76.6Confident30 Ų3057.6 Ų57.611%0.11332%0.318CS..Hα-helixtrans-60.9-34.7173.8-73.6-173.8-177.9-153.7-0.3111.8T155 V157 I315 I322 E323 V328 L329 F330T155-R326 PolarHBondContact O-NH2 3.11Å; V157-R326 PolarHBondContact O-NH1 3.4Å; I315-R326 HydrophobicContact CG2-CG 4.14Å; I315-R326 PolarHBondContact O-NH2 3.49Å; I322-R326 PolarHBondContact O-N 3.46Å; E323-R326 PolarHBondContact O-N 3.1Å; R326-V328 VanDerWaalsContact C-N 3.26Å; R326-V328 PolarHBondContact O-N 3.02Å; R326-L329 HydrophobicContact CB-CD1 4.29Å; R326-L329 HydrophobicContact CG-CD1 4.19Å; R326-L329 VanDerWaalsContact O-CB 3.32Å; R326-L329 WeakPolarHBondContact O-CB 3.44Å; R326-L329 WeakPolarHBondContact O-CG 3.42Å; R326-L329 PolarHBondContact O-N 3.19Å; R326-F330 WeakPolarHBondContact O-CD2 3.31Å; R326-F330 WeakPolarHBondContact O-CE2 3.36Å
327S67.7Low76.8Confident64 Ų6457.6 Ų57.645%0.44832%0.318SS..Hα-helixtrans-58.3-36.3175.377.30000113.4E323 S324 E325 L329 F330E323-S327 PolarHBondContact O-N 3.43Å; S324-S327 WeakPolarHBondContact O-CB 3.49Å; S324-S327 PolarHBondContact O-N 3.43Å; S324-S327 PolarHBondContact O-OG 2.82Å; E325-S327 VanDerWaalsContact C-N 3.26Å; E325-S327 PolarHBondContact O-N 3.04Å; S327-L329 VanDerWaalsContact C-N 3.26Å; S327-L329 PolarHBondContact O-N 3.38Å; S327-F330 PolarHBondContact O-N 3.04Å
328V72.3Confident77Confident56 Ų5658.9 Ų58.934%0.33933%0.328SS..Hα-helixtrans-71.4-20.5-178.1-1720000112.2E325 R326E325-V328 PolarHBondContact O-N 2.94Å; E325-V328 VanDerWaalsContact O-N 3.17Å; R326-V328 VanDerWaalsContact C-N 3.26Å; R326-V328 PolarHBondContact O-N 3.02Å
329L80.7Confident77.5Confident5 Ų558.2 Ų58.23%0.02632%0.319CS..Hα-helixtrans-65.6-39176.6-54.1174.5000112.1C162 Y312 I315 R326 S327 D331 A332C162-L329 HydrophobicContact CB-CD1 4.24Å; Y312-L329 HydrophobicContact CD1-CD2 3.95Å; Y312-L329 HydrophobicContact CE1-CD2 3.51Å; I315-L329 HydrophobicContact CD1-CD2 4.06Å; I315-L329 HydrophobicContact CG2-CD1 3.86Å; R326-L329 HydrophobicContact CB-CD1 4.29Å; R326-L329 HydrophobicContact CG-CD1 4.19Å; R326-L329 VanDerWaalsContact O-CB 3.32Å; R326-L329 WeakPolarHBondContact O-CB 3.44Å; R326-L329 WeakPolarHBondContact O-CG 3.42Å; R326-L329 PolarHBondContact O-N 3.19Å; S327-L329 VanDerWaalsContact C-N 3.26Å; S327-L329 PolarHBondContact O-N 3.38Å; L329-D331 VanDerWaalsContact C-N 3.32Å; L329-D331 PolarHBondContact O-N 3.4Å; L329-A332 WeakPolarHBondContact O-CB 3.38Å; L329-A332 PolarHBondContact O-N 3.27Å
330F81.1Confident78.7Confident91 Ų9155.3 Ų55.340%0.39930%0.301SS..Hα-helixtrans-74.3-25.1-174.9-57.8-74.4000112.4Q161 I165 R326 S327 A332Q161-F330 HydrophobicContact CG-CE1 4Å; I165-F330 HydrophobicContact CD1-CD1 3.34Å; I165-F330 HydrophobicContact CD1-CE1 3.49Å; I165-F330 VanDerWaalsContact CD1-CE1 3.49Å; I165-F330 HydrophobicContact CD1-CG 4.35Å; R326-F330 WeakPolarHBondContact O-CD2 3.31Å; R326-F330 WeakPolarHBondContact O-CE2 3.36Å; S327-F330 PolarHBondContact O-N 3.04Å; F330-A332 VanDerWaalsContact C-N 3.33Å
331D84.8Confident80.4Confident96 Ų9653.7 Ų53.751%0.51328%0.284SS..THydrogen-bonded Turntrans-80.8-8.2174-71.4-4.9000113.1L329 L333 K443L329-D331 VanDerWaalsContact C-N 3.32Å; L329-D331 PolarHBondContact O-N 3.4Å; D331-L333 PolarHBondContact O-N 3.46Å; D331-K443 IonicContact OD2-NZ 2.69Å; D331-K443 PolarHBondContact OD2-NZ 3.11Å
332A88.5Confident82Confident20 Ų2045.4 Ų45.417%0.16525%0.246CC..  trans-81108.5-167.300000114R168 L169 L329 F330R168-A332 PolarHBondContact NH2-O 3.5Å; L169-A332 HydrophobicContact CD1-CB 4.03Å; L329-A332 WeakPolarHBondContact O-CB 3.38Å; L329-A332 PolarHBondContact O-N 3.27Å; F330-A332 VanDerWaalsContact C-N 3.33Å
333L91.5Very high83.3Confident76 Ų7645.4 Ų45.440%0.39825%0.246SC..SBendtrans-75.5-36.5177.7-64.6176.5000114Q172 D331 N450Q172-L333 PolarHBondContact NE2-O 2.79Å; Q172-L333 PolarHBondContact OE1-O 3.32Å; D331-L333 PolarHBondContact O-N 3.46Å; L333-N450 HydrophobicContact CD1-CB 3.63Å
334C94.9Very high84.5Confident5 Ų541.7 Ų41.73%0.03423%0.231CC..SBendtrans-144.3-175.8-179.570.30000110.3P336 V453 L457 V464C334-P336 WeakPolarHBondContact O-CD 3.33Å; C334-V453 HydrophobicContact CB-CG1 4.02Å; C334-L457 HydrophobicContact CB-CD1 4.24Å; C334-L457 HydrophobicContact CB-CD2 4.37Å; C334-V464 HydrophobicContact CB-CG1 4.25Å
335M95.1Very high85.7Confident1 Ų138.5 Ų38.51%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-63.7119.2-178.2-169.365.667.500111.9L169 L170 Y173 P305 F308 Y312 I337 S465 L466L169-M335 HydrophobicContact CB-CE 4.43Å; L170-M335 HydrophobicContact CD1-CE 4.42Å; Y173-M335 HydrophobicContact CD2-CB 3.43Å; Y173-M335 VanDerWaalsContact CD2-CB 3.43Å; Y173-M335 HydrophobicContact CD2-CE 4.49Å; Y173-M335 HydrophobicContact CD2-CG 4.03Å; Y173-M335 HydrophobicContact CE2-CB 3.8Å; Y173-M335 HydrophobicContact CE2-CG 4.19Å; Y173-M335 HydrophobicContact CG-CB 4.15Å; Y173-M335 HydrophobicContact CG-CE 4.08Å; Y173-M335 HydrophobicContact CG-CG 4.44Å; P305-M335 HydrophobicContact CG-CG 4.43Å; F308-M335 HydrophobicContact CB-SD 4.21Å; F308-M335 HydrophobicContact CD2-CE 3.72Å; F308-M335 HydrophobicContact CD2-SD 3.76Å; F308-M335 HydrophobicContact CE2-CE 4.34Å; F308-M335 HydrophobicContact CG-SD 4.48Å; Y312-M335 HydrophobicContact CE2-SD 4.1Å; M335-I337 HydrophobicContact CG-CG1 4.48Å; M335-S465 CarbonylContact O-C 3.45Å; M335-S465 WeakPolarHBondContact O-CA 3.29Å; M335-S465 WeakPolarHBondContact O-CB 3.4Å; M335-L466 PolarHBondContact O-N 3.23Å
336P93.5Very high86.3Confident27 Ų2736.8 Ų36.818%0.17520%0.201CC..EExtended strand (participates in β ladder)trans-79.9137.9174.932.7-32.7000110.9Y312 C334 L466Y312-P336 WeakPolarHBondContact OH-CD 3.34Å; Y312-P336 WeakPolarHBondContact OH-CG 3.47Å; C334-P336 WeakPolarHBondContact O-CD 3.33Å; P336-L466 WeakPolarHBondContact CA-O 3.23Å
337I94.2Very high86.7Confident0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-130.4141.7-178.7-58.7-175.2000110.6P305 M335 E341 V342 Y375 S465 L466 I467 E468P305-I337 HydrophobicContact CB-CD1 3.72Å; P305-I337 HydrophobicContact CB-CG1 3.97Å; P305-I337 HydrophobicContact CG-CD1 3.37Å; P305-I337 HydrophobicContact CG-CG1 4.05Å; M335-I337 HydrophobicContact CG-CG1 4.48Å; I337-E341 HydrophobicContact CG2-CB 4.25Å; I337-E341 HydrophobicContact CG2-CG 4.42Å; I337-V342 HydrophobicContact CG2-CG2 3.96Å; I337-Y375 HydrophobicContact CD1-CE1 3.53Å; I337-S465 WeakPolarHBondContact CD1-OG 3.45Å; I337-L466 PolarHBondContact N-O 3.01Å; I337-I467 CarbonylContact O-C 3.49Å; I337-I467 WeakPolarHBondContact O-CA 3.45Å; I337-E468 PolarHBondContact O-N 3.42Å
338T93.5Very high86.9Confident52 Ų5236.9 Ų36.932%0.31920%0.201SC..  trans-77.1138.2175.5620000111.2S307 Q340 E341S307-T338 PolarHBondContact OG-N 3.14Å; S307-T338 PolarHBondContact OG-OG1 3.37Å; T338-Q340 PolarHBondContact O-N 2.8Å; T338-E341 WeakPolarHBondContact O-CB 3.45Å; T338-E341 PolarHBondContact O-N 3.39Å; T338-E341 VanDerWaalsContact O-N 3.11Å
339I92.9Very high86.4Confident5 Ų535.1 Ų35.13%0.02619%0.191CC..Hα-helixtrans-58.4-32.4178.7-174.863.7000112.7E341 V342 L343 I467 A473 L474 V477I339-E341 VanDerWaalsContact C-N 3.32Å; I339-E341 PolarHBondContact O-N 2.93Å; I339-V342 PolarHBondContact O-N 3.25Å; I339-L343 HydrophobicContact CD1-CG 4.44Å; I339-L343 HydrophobicContact CG1-CD1 4.06Å; I339-L343 HydrophobicContact CG1-CG 4.24Å; I339-L343 WeakPolarHBondContact O-CG 3.29Å; I339-L343 PolarHBondContact O-N 3.43Å; I339-I467 HydrophobicContact CB-CG2 3.88Å; I339-I467 HydrophobicContact CD1-CD1 3.87Å; I339-I467 HydrophobicContact CD1-CG2 4.24Å; I339-A473 HydrophobicContact CG2-CB 4.3Å; I339-L474 HydrophobicContact CD1-CB 4.4Å; I339-L474 HydrophobicContact CD1-CD1 3.98Å; I339-L474 HydrophobicContact CG1-CB 4.04Å; I339-L474 HydrophobicContact CG1-CD1 3.73Å; I339-L474 HydrophobicContact CG1-CG 4.47Å; I339-V477 HydrophobicContact CG2-CB 4.03Å; I339-V477 HydrophobicContact CG2-CG1 4.45Å; I339-V477 HydrophobicContact CG2-CG2 3.64Å
340Q91.8Very high85.4Confident85 Ų8540.8 Ų40.840%0.39722%0.221SC..Hα-helixtrans-57.3-43.5176.4-178.261.146.200112T338 V342 L343 D344T338-Q340 PolarHBondContact O-N 2.8Å; Q340-V342 VanDerWaalsContact C-N 3.33Å; Q340-V342 PolarHBondContact O-N 2.94Å; Q340-L343 PolarHBondContact O-N 2.84Å; Q340-D344 PolarHBondContact NE2-OD1 3.27Å; Q340-D344 VanDerWaalsContact NE2-OD1 3.17Å; Q340-D344 PolarHBondContact NE2-OD2 3.5Å; Q340-D344 WeakPolarHBondContact O-CB 3.36Å; Q340-D344 PolarHBondContact O-N 3.26Å
341E92Very high84.3Confident20 Ų2040.7 Ų40.79%0.09322%0.222CC..Hα-helixtrans-62.5-40.5178.2178.7176.5174.900112.1P305 I306 S307 I337 T338 I339 D344 A345 Y375P305-E341 WeakPolarHBondContact CA-OE1 3.3Å; P305-E341 WeakPolarHBondContact CB-OE1 3.46Å; I306-E341 VanDerWaalsContact CG2-CD 3.49Å; I306-E341 HydrophobicContact CG2-CG 3.97Å; I306-E341 WeakPolarHBondContact CG2-OE2 3.34Å; I306-E341 PolarHBondContact N-OE1 2.96Å; I306-E341 PolarHBondContact N-OE2 3.4Å; S307-E341 WeakPolarHBondContact CB-OE2 3.36Å; S307-E341 PolarHBondContact N-OE2 3.48Å; S307-E341 PolarHBondContact OG-OE2 2.9Å; I337-E341 HydrophobicContact CG2-CB 4.25Å; I337-E341 HydrophobicContact CG2-CG 4.42Å; T338-E341 WeakPolarHBondContact O-CB 3.45Å; T338-E341 PolarHBondContact O-N 3.39Å; T338-E341 VanDerWaalsContact O-N 3.11Å; I339-E341 VanDerWaalsContact C-N 3.32Å; I339-E341 PolarHBondContact O-N 2.93Å; E341-D344 PolarHBondContact O-N 2.97Å; E341-A345 WeakPolarHBondContact O-CB 3.41Å; E341-A345 PolarHBondContact O-N 3.01Å; E341-Y375 VanDerWaalsContact CD-OH 3.26Å; E341-Y375 HydrophobicContact CG-CE2 4.14Å; E341-Y375 PolarHBondContact OE1-OH 3.13Å
342V90.8Very high82.8Confident0 Ų039.5 Ų39.50%022%0.215CC..Hα-helixtrans-66.9-42.8178.9-174.20000110.8I337 I339 Q340 Q346 Y375 L377 T436 I467I337-V342 HydrophobicContact CG2-CG2 3.96Å; I339-V342 PolarHBondContact O-N 3.25Å; Q340-V342 VanDerWaalsContact C-N 3.33Å; Q340-V342 PolarHBondContact O-N 2.94Å; V342-Q346 WeakPolarHBondContact O-CG 3.35Å; V342-Q346 PolarHBondContact O-N 3.18Å; V342-Y375 HydrophobicContact CB-CD2 4.49Å; V342-Y375 HydrophobicContact CG1-CD2 4.37Å; V342-Y375 HydrophobicContact CG1-CG 4.44Å; V342-Y375 HydrophobicContact CG2-CD2 4.38Å; V342-Y375 HydrophobicContact CG2-CE2 4.43Å; V342-L377 HydrophobicContact CG1-CD1 4.47Å; V342-T436 HydrophobicContact CG1-CG2 4.19Å; V342-T436 HydrophobicContact CG2-CG2 3.95Å; V342-I467 HydrophobicContact CG2-CD1 4.2Å; V342-I467 HydrophobicContact CG2-CG1 4.32Å
343L88.8Confident81Confident33 Ų3347.7 Ų47.717%0.17324%0.243CC..Hα-helixtrans-66.6-41.9176.2-66.9173.6000111.8I339 Q340 Q346 S347 L391 L474 V477 L478I339-L343 HydrophobicContact CD1-CG 4.44Å; I339-L343 HydrophobicContact CG1-CD1 4.06Å; I339-L343 HydrophobicContact CG1-CG 4.24Å; I339-L343 WeakPolarHBondContact O-CG 3.29Å; I339-L343 PolarHBondContact O-N 3.43Å; Q340-L343 PolarHBondContact O-N 2.84Å; L343-Q346 PolarHBondContact O-N 3.35Å; L343-S347 WeakPolarHBondContact O-CB 3.31Å; L343-S347 PolarHBondContact O-N 3.03Å; L343-L391 HydrophobicContact CD2-CD1 4.37Å; L343-L391 HydrophobicContact CD2-CD2 4.29Å; L343-L474 HydrophobicContact CD1-CD1 4.18Å; L343-V477 HydrophobicContact CD1-CG1 4.12Å; L343-L478 HydrophobicContact CD1-CD2 4.4Å
344D87.4Confident78.9Confident62 Ų6247 Ų4733%0.33225%0.254SS..Hα-helixtrans-62.2-46.3176.3-79.6-36.4000111Q340 E341 S347 I348Q340-D344 PolarHBondContact NE2-OD1 3.27Å; Q340-D344 VanDerWaalsContact NE2-OD1 3.17Å; Q340-D344 PolarHBondContact NE2-OD2 3.5Å; Q340-D344 WeakPolarHBondContact O-CB 3.36Å; Q340-D344 PolarHBondContact O-N 3.26Å; E341-D344 PolarHBondContact O-N 2.97Å; D344-S347 PolarHBondContact O-N 3.16Å; D344-S347 PolarHBondContact O-OG 3.41Å; D344-I348 WeakPolarHBondContact O-CG1 3.29Å; D344-I348 PolarHBondContact O-N 3.17Å; D344-I348 VanDerWaalsContact O-N 3.17Å
345A84Confident76.6Confident17 Ų1752.2 Ų52.214%0.1428%0.281CS..Hα-helixtrans-60.7-45.8176.100000112.7E341 S347 I348 C349 Y375E341-A345 WeakPolarHBondContact O-CB 3.41Å; E341-A345 PolarHBondContact O-N 3.01Å; A345-S347 VanDerWaalsContact C-N 3.29Å; A345-S347 PolarHBondContact O-N 3.34Å; A345-I348 PolarHBondContact O-N 2.63Å; A345-C349 PolarHBondContact O-N 3.25Å; A345-C349 PolarHBondContact O-SG 3.33Å; A345-Y375 HydrophobicContact CB-CD2 3.83Å; A345-Y375 HydrophobicContact CB-CE2 4.07Å
346Q78.2Confident73.7Confident28 Ų2857.3 Ų57.313%0.13131%0.309CS..Hα-helixtrans-62.2-36.9175.4-72.3-178.64.200112V342 L343 I348 C349 L350 T393V342-Q346 WeakPolarHBondContact O-CG 3.35Å; V342-Q346 PolarHBondContact O-N 3.18Å; L343-Q346 PolarHBondContact O-N 3.35Å; Q346-I348 VanDerWaalsContact C-N 3.26Å; Q346-I348 PolarHBondContact O-N 3.15Å; Q346-C349 PolarHBondContact O-N 3.07Å; Q346-L350 WeakPolarHBondContact O-CG 3.42Å; Q346-L350 PolarHBondContact O-N 3.33Å; Q346-T393 VanDerWaalsContact CD-OG1 3.29Å; Q346-T393 PolarHBondContact NE2-OG1 3.45Å; Q346-T393 PolarHBondContact OE1-OG1 3.18Å
347S76.7Confident71Confident35 Ų3564.5 Ų64.525%0.24535%0.346CS..Hα-helixtrans-70.7-16.4177.481.10000114.5L343 D344 A345 R784L343-S347 WeakPolarHBondContact O-CB 3.31Å; L343-S347 PolarHBondContact O-N 3.03Å; D344-S347 PolarHBondContact O-N 3.16Å; D344-S347 PolarHBondContact O-OG 3.41Å; A345-S347 VanDerWaalsContact C-N 3.29Å; A345-S347 PolarHBondContact O-N 3.34Å; S347-R784 PolarHBondContact O-NH2 3.36Å; S347-R784 PolarHBondContact OG-NH1 3.37Å
348I71.4Confident68.1Low61 Ų6168.2 Ų68.231%0.31337%0.372SS..Hα-helixtrans-77.4-54.8171.8-67.5165.2000109.1D344 A345 Q346 L350 Q351 D352D344-I348 WeakPolarHBondContact O-CG1 3.29Å; D344-I348 PolarHBondContact O-N 3.17Å; D344-I348 VanDerWaalsContact O-N 3.17Å; A345-I348 PolarHBondContact O-N 2.63Å; Q346-I348 VanDerWaalsContact C-N 3.26Å; Q346-I348 PolarHBondContact O-N 3.15Å; I348-L350 PolarHBondContact O-N 3.17Å; I348-Q351 PolarHBondContact O-N 3.4Å; I348-D352 PolarHBondContact O-N 3.27Å
349C61.8Low65Low19 Ų1971.9 Ų71.913%0.12840%0.399CS..Hα-helixtrans-50.2-39.7179.3-53.50000113.1A345 Q346 Q351 Y353 R374A345-C349 PolarHBondContact O-N 3.25Å; A345-C349 PolarHBondContact O-SG 3.33Å; Q346-C349 PolarHBondContact O-N 3.07Å; C349-Q351 VanDerWaalsContact C-N 3.34Å; C349-Q351 PolarHBondContact O-N 3.24Å; C349-Y353 PolarHBondContact O-N 3.48Å; C349-R374 WeakPolarHBondContact SG-CD 3.17Å
350L59.8Low62.3Low123 Ų12378.1 Ų78.164%0.64443%0.431SS*.Hα-helixtrans-72.4-17.9179-69.3172.6000114.9Q346 I348Q346-L350 WeakPolarHBondContact O-CG 3.42Å; Q346-L350 PolarHBondContact O-N 3.33Å; I348-L350 PolarHBondContact O-N 3.17Å
351Q58.9Low59.3Low90 Ų9079.9 Ų79.942%0.42145%0.448SS..Hα-helixtrans-91.5-32.7178.7-72-174.49.600112.5I348 C349 Y353 G354 R784I348-Q351 PolarHBondContact O-N 3.4Å; C349-Q351 VanDerWaalsContact C-N 3.34Å; C349-Q351 PolarHBondContact O-N 3.24Å; Q351-Y353 VanDerWaalsContact C-N 3.31Å; Q351-G354 PolarHBondContact O-N 3Å; Q351-G354 VanDerWaalsContact O-N 3.07Å; Q351-R784 VanDerWaalsContact OE1-CZ 3.24Å
352D54Low56.4Low71 Ų7186.3 Ų86.338%0.3848%0.482SS..Hα-helixtrans-67.5-36.3174.5-54.8-41.1000110.8I348 G354 L355 N356I348-D352 PolarHBondContact O-N 3.27Å; D352-G354 PolarHBondContact O-N 2.93Å; D352-L355 PolarHBondContact O-N 3.25Å; D352-N356 PolarHBondContact O-ND2 3.41Å
353Y49.3Very low53.5Low191 Ų19191 Ų9175%0.74952%0.515SS*.THydrogen-bonded Turntrans-59.4-25.2170.1-155-90.9000113.5C349 Q351C349-Y353 PolarHBondContact O-N 3.48Å; Q351-Y353 VanDerWaalsContact C-N 3.31Å
354G46.9Very low50.7Low62 Ų6296.5 Ų96.564%0.63955%0.545SS*.THydrogen-bonded Turntrans-92.5-3.1-174.300000115.9Q351 D352Q351-G354 PolarHBondContact O-N 3Å; Q351-G354 VanDerWaalsContact O-N 3.07Å; D352-G354 PolarHBondContact O-N 2.93Å
355L47.1Very low47.8Very low114 Ų11499.2 Ų99.260%0.59756%0.559SS**THydrogen-bonded Turntrans-129.1-18.9-170.5-75.6167.8000115.1D352 N357D352-L355 PolarHBondContact O-N 3.25Å; L355-N357 VanDerWaalsContact C-N 3.35Å; L355-N357 PolarHBondContact O-N 3.19Å
356N35.8Very low45.4Very low108 Ų108104.5 Ų104.558%0.57859%0.592SS**THydrogen-bonded Turntrans-88.113.3-164.4-68.5-12.1000116.2D352 S358D352-N356 PolarHBondContact O-ND2 3.41Å; N356-S358 PolarHBondContact O-N 2.86Å
357N36.3Very low43.2Very low178 Ų178107.6 Ų107.695%0.95262%0.617SS**THydrogen-bonded Turntrans-74.11.7170.2-98.76.7000114L355L355-N357 VanDerWaalsContact C-N 3.35Å; L355-N357 PolarHBondContact O-N 3.19Å
358S33.2Very low41Very low79 Ų79113.1 Ų113.155%0.55264%0.644SS**SBendtrans-104.1108.8163.959.40000110.5N356 I360N356-S358 PolarHBondContact O-N 2.86Å; S358-I360 PolarHBondContact O-N 2.85Å
359S28.2Very low39.4Very low128 Ų128114.1 Ų114.190%0.89566%0.656SS**  trans-6599.3173-174.40000110.7
360I36.8Very low38.5Very low137 Ų137118.1 Ų118.170%0.70368%0.68SS**  trans-147.8115.6171.6-94.2141.7000108.5S358S358-I360 PolarHBondContact O-N 2.85Å
361T28.2Very low38.1Very low121 Ų121116.3 Ų116.374%0.74268%0.676SS**  trans36.9120.1158.761.30000119.9S363T361-S363 PolarHBondContact O-N 2.71Å
362L31.3Very low38.5Very low155 Ų155117.7 Ų117.781%0.81269%0.686SS**  trans-44.1129.5143.7-71159.9000109.6D364L362-D364 PolarHBondContact O-N 3.24Å
363S30.2Very low39.8Very low100 Ų100114.9 Ų114.970%0.69967%0.671SS**  trans-84.998173.657.30000109.8T361 N365T361-S363 PolarHBondContact O-N 2.71Å; S363-N365 PolarHBondContact O-N 2.83Å
364D28.7Very low41.6Very low147 Ų147108 Ų10879%0.78664%0.644SS**  trans-68.530.7178.7-62.3-39.5000114.2L362 P366L362-D364 PolarHBondContact O-N 3.24Å; D364-P366 VanDerWaalsContact O-CD 3.32Å; D364-P366 WeakPolarHBondContact O-CD 3.45Å
365N27.4Very low43.7Very low120 Ų120105.6 Ų105.664%0.64262%0.615SS**  trans-106.494.4174.2-74.2-54.7000109.6S363 S367S363-N365 PolarHBondContact O-N 2.83Å; N365-S367 PolarHBondContact O-N 2.75Å
366P33Very low45.8Very low128 Ų128100.8 Ų100.883%0.83159%0.59SS**THydrogen-bonded Turntrans-74.526.3-176.132.8-38.3000114.1D364D364-P366 VanDerWaalsContact O-CD 3.32Å; D364-P366 WeakPolarHBondContact O-CD 3.45Å
367S32.8Very low48.5Very low93 Ų9395.7 Ų95.765%0.6556%0.563SS**THydrogen-bonded Turntrans-114.4-10.1-170.460.80000115.4N365N365-S367 PolarHBondContact O-N 2.75Å
368D30.8Very low51.3Low151 Ų15187.2 Ų87.281%0.80752%0.517SS*.  trans-120.939.2177.7-94.1-41.6000110.9T370D368-T370 PolarHBondContact O-N 2.87Å
369S36.1Very low54.2Low81 Ų8183.4 Ų83.457%0.56649%0.491SS*.  trans-69.694.1173.6590000111
370T44.9Very low57.3Low103 Ų10377.4 Ų77.463%0.63245%0.449SS*.  trans-58.7135158.948.60000108.9D368 D372D368-T370 PolarHBondContact O-N 2.87Å; T370-D372 PolarHBondContact O-N 3.14Å; T370-D372 VanDerWaalsContact O-N 3.1Å
371P51.3Low60Low86 Ų8671.1 Ų71.156%0.55842%0.416SS*.  trans-64.4115-174.824.9-33.6000111.2L373P371-L373 PolarHBondContact O-N 3.29Å
372D65.8Low63Low118 Ų11866.7 Ų66.763%0.63139%0.39SS*.  trans-7444.2175.5-17532.6000111.9T370 R374T370-D372 PolarHBondContact O-N 3.14Å; T370-D372 VanDerWaalsContact O-N 3.1Å; D372-R374 VanDerWaalsContact C-N 3.3Å; D372-R374 PolarHBondContact O-N 2.69Å; D372-R374 VanDerWaalsContact OD1-CD 3.23Å; D372-R374 WeakPolarHBondContact OD1-CD 3.22Å; D372-R374 VanDerWaalsContact OD1-CG 3.31Å; D372-R374 WeakPolarHBondContact OD1-CG 3.33Å; D372-R374 IonicContact OD1-CZ 2.68Å; D372-R374 IonicContact OD1-NE 3.71Å; D372-R374 PolarHBondContact OD1-NE 2.94Å; D372-R374 IonicContact OD2-NE 3.8Å; D372-R374 IonicContact OD2-NH2 3.96Å
373L82.8Confident65.7Low12 Ų1260.4 Ų60.46%0.06336%0.36CS..  trans-8678.2-177.6-156.6159.2000109.1T304 P371 Y375 H434T304-L373 WeakPolarHBondContact O-CD1 3.47Å; P371-L373 PolarHBondContact O-N 3.29Å; L373-Y375 HydrophobicContact CD2-CD1 4.39Å; L373-Y375 HydrophobicContact CD2-CD2 4.46Å; L373-Y375 HydrophobicContact CD2-CE1 3.68Å; L373-Y375 HydrophobicContact CD2-CE2 3.76Å; L373-Y375 WeakPolarHBondContact CD2-OH 3.33Å; L373-H434 HydrophobicContact CD2-CB 4.11Å
374R85.9Confident68.6Low47 Ų4762.6 Ų62.618%0.17736%0.359CS..  trans-83.1136-177.9-66-173.7-74.5129.6-5.8111.8C349 D372 S428 V431 G432 K433 H434C349-R374 WeakPolarHBondContact SG-CD 3.17Å; D372-R374 VanDerWaalsContact C-N 3.3Å; D372-R374 PolarHBondContact O-N 2.69Å; D372-R374 VanDerWaalsContact OD1-CD 3.23Å; D372-R374 WeakPolarHBondContact OD1-CD 3.22Å; D372-R374 VanDerWaalsContact OD1-CG 3.31Å; D372-R374 WeakPolarHBondContact OD1-CG 3.33Å; D372-R374 IonicContact OD1-CZ 2.68Å; D372-R374 IonicContact OD1-NE 3.71Å; D372-R374 PolarHBondContact OD1-NE 2.94Å; D372-R374 IonicContact OD2-NE 3.8Å; D372-R374 IonicContact OD2-NH2 3.96Å; R374-S428 PolarHBondContact NH1-O 3.47Å; R374-V431 PolarHBondContact NH1-O 3.33Å; R374-V431 VanDerWaalsContact NH1-O 3.17Å; R374-G432 VanDerWaalsContact C-CA 3.42Å; R374-G432 CarbonylContact O-C 3.46Å; R374-G432 WeakPolarHBondContact O-CA 3.28Å; R374-K433 PolarHBondContact O-N 3.43Å; R374-K433 VanDerWaalsContact O-N 3.13Å; R374-H434 PolarHBondContact O-CD2 3.12Å; R374-H434 PolarHBondContact O-N 3.47Å; R374-H434 VanDerWaalsContact O-N 3.17Å
375Y90.7Very high71.6Confident12 Ų1256.9 Ų56.95%0.04733%0.328CS..EExtended strand (participates in β ladder)trans-103.6136-178.1-66.9-76.7000113.2P305 I337 E341 V342 A345 L373 H434 T436P305-Y375 WeakPolarHBondContact CB-OH 3.33Å; I337-Y375 HydrophobicContact CD1-CE1 3.53Å; E341-Y375 VanDerWaalsContact CD-OH 3.26Å; E341-Y375 HydrophobicContact CG-CE2 4.14Å; E341-Y375 PolarHBondContact OE1-OH 3.13Å; V342-Y375 HydrophobicContact CB-CD2 4.49Å; V342-Y375 HydrophobicContact CG1-CD2 4.37Å; V342-Y375 HydrophobicContact CG1-CG 4.44Å; V342-Y375 HydrophobicContact CG2-CD2 4.38Å; V342-Y375 HydrophobicContact CG2-CE2 4.43Å; A345-Y375 HydrophobicContact CB-CD2 3.83Å; A345-Y375 HydrophobicContact CB-CE2 4.07Å; L373-Y375 HydrophobicContact CD2-CD1 4.39Å; L373-Y375 HydrophobicContact CD2-CD2 4.46Å; L373-Y375 HydrophobicContact CD2-CE1 3.68Å; L373-Y375 HydrophobicContact CD2-CE2 3.76Å; L373-Y375 WeakPolarHBondContact CD2-OH 3.33Å; Y375-H434 CarbonylContact C-O 3.32Å; Y375-H434 VanDerWaalsContact CA-O 3.3Å; Y375-H434 WeakPolarHBondContact CA-O 3.43Å; Y375-H434 HydrophobicContact CD1-CB 3.65Å; Y375-H434 HydrophobicContact CE1-CB 3.88Å; Y375-T436 HydrophobicContact CD1-CG2 4.39Å
376L92Very high74.7Confident12 Ų1251.5 Ų51.56%0.06330%0.299CS..EExtended strand (participates in β ladder)trans-87108.7154.4173.157.4000107.5V378 F395 L416 Q420 H434 T436L376-V378 HydrophobicContact CG-CG2 4.12Å; L376-F395 HydrophobicContact CD1-CB 4.42Å; L376-L416 HydrophobicContact CD2-CD2 3.67Å; L376-L416 HydrophobicContact CD2-CG 4.35Å; L376-Q420 HydrophobicContact CD2-CB 3.92Å; L376-Q420 HydrophobicContact CD2-CG 3.78Å; L376-H434 PolarHBondContact N-O 3.26Å; L376-T436 PolarHBondContact O-N 3.12Å
377L92.5Very high77.5Confident1 Ų148.7 Ų48.71%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-83.5125.1177.5176.861.8000110V342 L391 A394 F395 T436 L438 I467V342-L377 HydrophobicContact CG1-CD1 4.47Å; L377-L391 HydrophobicContact CD2-CB 4.15Å; L377-L391 HydrophobicContact CD2-CD1 3.66Å; L377-A394 HydrophobicContact CD2-CB 3.77Å; L377-A394 HydrophobicContact CG-CB 3.83Å; L377-A394 WeakPolarHBondContact O-CA 3.34Å; L377-F395 PolarHBondContact O-N 3.25Å; L377-T436 HydrophobicContact CD1-CG2 3.83Å; L377-L438 HydrophobicContact CD1-CB 4.09Å; L377-I467 HydrophobicContact CD1-CD1 3.7Å
378V94.4Very high80.3Confident0 Ų044.4 Ų44.40%025%0.247CC..EExtended strand (participates in β ladder)trans-120.7113.7-179.6-172.20000109.6L376 F395 L397 L416 I435 T436 F437 L438L376-V378 HydrophobicContact CG-CG2 4.12Å; V378-F395 CarbonylContact C-O 3.5Å; V378-F395 WeakPolarHBondContact CA-O 3.46Å; V378-F395 HydrophobicContact CG1-CD1 4.42Å; V378-L397 HydrophobicContact CG1-CB 3.63Å; V378-L397 HydrophobicContact CG1-CD2 4.13Å; V378-L416 HydrophobicContact CG1-CD1 4.07Å; V378-L416 HydrophobicContact CG2-CD1 4.01Å; V378-I435 HydrophobicContact CG2-CG2 4.05Å; V378-T436 PolarHBondContact N-O 3.31Å; V378-F437 HydrophobicContact CB-CD1 3.77Å; V378-F437 HydrophobicContact CB-CE1 3.93Å; V378-F437 HydrophobicContact CG1-CD1 3.93Å; V378-F437 HydrophobicContact CG1-CE1 3.84Å; V378-F437 HydrophobicContact CG2-CE1 4.3Å; V378-F437 CarbonylContact O-C 3.08Å; V378-F437 WeakPolarHBondContact O-CA 3.34Å; V378-L438 PolarHBondContact O-N 3.24Å
379D94.7Very high83.1Confident0 Ų037.2 Ų37.20%021%0.208CC..EExtended strand (participates in β ladder)trans-85.2112.8174.9-163.4-30.4000110R381 Y386 A394 F395 L397D379-R381 WeakPolarHBondContact OD1-CB 3.4Å; D379-R381 VanDerWaalsContact OD1-CG 3.27Å; D379-R381 WeakPolarHBondContact OD1-CG 3.12Å; D379-R381 IonicContact OD1-CZ 3.45Å; D379-R381 PolarHBondContact OD1-N 3.36Å; D379-R381 VanDerWaalsContact OD1-N 3.15Å; D379-R381 IonicContact OD1-NE 2.78Å; D379-R381 PolarHBondContact OD1-NE 3.23Å; D379-R381 IonicContact OD1-NH2 3.77Å; D379-R381 IonicContact OD2-CZ 2.7Å; D379-R381 IonicContact OD2-NE 2.81Å; D379-R381 PolarHBondContact OD2-NE 3.09Å; D379-R381 IonicContact OD2-NH2 3.56Å; D379-R381 PolarHBondContact OD2-NH2 2.78Å; D379-Y386 HydrophobicContact CB-CD2 3.88Å; D379-Y386 HydrophobicContact CB-CE2 4.03Å; D379-A394 HydrophobicContact CB-CB 4.09Å; D379-F395 PolarHBondContact N-O 3.42Å; D379-L397 PolarHBondContact O-N 3.04Å
380C93.6Very high85.7Confident2 Ų233.8 Ų33.81%0.01418%0.183CC..  trans-105.515-176.1-80.10000113.8L397 S399 F437 L438 A449C380-L397 WeakPolarHBondContact CA-O 3.31Å; C380-L397 PolarHBondContact SG-O 2.96Å; C380-L397 VanDerWaalsContact SG-O 3.4Å; C380-S399 WeakPolarHBondContact O-CB 3.33Å; C380-S399 PolarHBondContact O-OG 3.18Å; C380-F437 VanDerWaalsContact SG-CD1 3.57Å; C380-L438 PolarHBondContact N-O 2.83Å; C380-A449 HydrophobicContact CB-CB 4.47Å
381R93.2Very high87.8Confident4 Ų429.2 Ų29.22%0.01516%0.155CC..SBendtrans-71.3158.3173.5-58.9177.7-65.61362.3110.8D379 Q385 G389 F396 T440 Y471D379-R381 WeakPolarHBondContact OD1-CB 3.4Å; D379-R381 VanDerWaalsContact OD1-CG 3.27Å; D379-R381 WeakPolarHBondContact OD1-CG 3.12Å; D379-R381 IonicContact OD1-CZ 3.45Å; D379-R381 PolarHBondContact OD1-N 3.36Å; D379-R381 VanDerWaalsContact OD1-N 3.15Å; D379-R381 IonicContact OD1-NE 2.78Å; D379-R381 PolarHBondContact OD1-NE 3.23Å; D379-R381 IonicContact OD1-NH2 3.77Å; D379-R381 IonicContact OD2-CZ 2.7Å; D379-R381 IonicContact OD2-NE 2.81Å; D379-R381 PolarHBondContact OD2-NE 3.09Å; D379-R381 IonicContact OD2-NH2 3.56Å; D379-R381 PolarHBondContact OD2-NH2 2.78Å; R381-Q385 HydrophobicContact CB-CB 3.99Å; R381-Q385 PolarHBondContact NH1-O 2.91Å; R381-G389 PolarHBondContact NH2-O 2.8Å; R381-F396 WeakPolarHBondContact O-CE2 3.32Å; R381-T440 HydrophobicContact CG-CG2 4.06Å; R381-Y471 VanDerWaalsContact CZ-CE2 3.48Å
382P90.2Very high89.4Confident28 Ų2828.6 Ų28.618%0.18215%0.151CC..  trans-55.8151.8172-2634.7000112.8E384 Q385 Y386P382-E384 VanDerWaalsContact C-N 3.26Å; P382-E384 PolarHBondContact O-N 2.64Å; P382-E384 VanDerWaalsContact O-N 3.14Å; P382-Q385 HydrophobicContact CB-CG 4.42Å; P382-Q385 WeakPolarHBondContact O-CB 3.38Å; P382-Q385 PolarHBondContact O-N 3.42Å; P382-Y386 PolarHBondContact O-N 2.87Å; P382-Y386 VanDerWaalsContact O-N 3.1Å
383A89.7Confident90.2Very high23 Ų2325.6 Ų25.619%0.1914%0.137CC..Hα-helixtrans-52.2-38.8-176.400000114.2Q385 Y386 N387 F396A383-Q385 VanDerWaalsContact C-N 3.29Å; A383-Q385 PolarHBondContact O-N 2.97Å; A383-Y386 PolarHBondContact O-N 3.17Å; A383-N387 WeakPolarHBondContact O-CB 3.39Å; A383-N387 PolarHBondContact O-N 3.29Å; A383-N387 PolarHBondContact O-ND2 2.85Å; A383-F396 HydrophobicContact CB-CE1 4.42Å; A383-F396 HydrophobicContact CB-CZ 3.83Å
384E89.9Confident90.4Very high146 Ų14625.2 Ų25.268%0.68214%0.135SC*.Hα-helixtrans-61.9-37.2177.5-6476.3-169.700112.1P382 A388P382-E384 VanDerWaalsContact C-N 3.26Å; P382-E384 PolarHBondContact O-N 2.64Å; P382-E384 VanDerWaalsContact O-N 3.14Å; E384-A388 WeakPolarHBondContact O-CB 3.09Å; E384-A388 PolarHBondContact O-N 3.36Å; E384-A388 VanDerWaalsContact O-N 3.16Å
385Q91.5Very high90.6Very high27 Ų2724.9 Ų24.913%0.12614%0.135CC..Hα-helixtrans-77.3-37.1-179.6-55-169.812.200112.1R381 P382 A383 A388 T440 E445 L496R381-Q385 HydrophobicContact CB-CB 3.99Å; R381-Q385 PolarHBondContact NH1-O 2.91Å; P382-Q385 HydrophobicContact CB-CG 4.42Å; P382-Q385 WeakPolarHBondContact O-CB 3.38Å; P382-Q385 PolarHBondContact O-N 3.42Å; A383-Q385 VanDerWaalsContact C-N 3.29Å; A383-Q385 PolarHBondContact O-N 2.97Å; Q385-A388 WeakPolarHBondContact O-CB 3.46Å; Q385-A388 PolarHBondContact O-N 3.11Å; Q385-T440 VanDerWaalsContact OE1-CG2 3.27Å; Q385-E445 PolarHBondContact NE2-OE2 3.29Å; Q385-L496 HydrophobicContact CG-CD1 3.96Å
386Y92.4Very high90.7Very high8 Ų826.4 Ų26.43%0.03114%0.142CC..Hα-helixtrans-63.3-45.5172.8-179.4-89.9000111.4D379 P382 A383 A388 G389 H390 F396 Y593D379-Y386 HydrophobicContact CB-CD2 3.88Å; D379-Y386 HydrophobicContact CB-CE2 4.03Å; P382-Y386 PolarHBondContact O-N 2.87Å; P382-Y386 VanDerWaalsContact O-N 3.1Å; A383-Y386 PolarHBondContact O-N 3.17Å; Y386-A388 PolarHBondContact O-N 2.98Å; Y386-G389 CarbonylContact O-C 3.6Å; Y386-G389 PolarHBondContact O-N 3.33Å; Y386-G389 VanDerWaalsContact O-N 3.13Å; Y386-H390 AromaticContact CD1-ND1 3.63Å; Y386-H390 HydrophobicContact CD2-CB 3.59Å; Y386-H390 AromaticContact CD2-CG 3.93Å; Y386-H390 HydrophobicContact CE1-CB 4.43Å; Y386-H390 AromaticContact CE1-CD2 3.91Å; Y386-H390 AromaticContact CE1-CE1 3.48Å; Y386-H390 VanDerWaalsContact CE1-CE1 3.48Å; Y386-H390 WeakPolarHBondContact CE1-CE1 3.42Å; Y386-H390 AromaticContact CE1-CG 3.7Å; Y386-H390 AromaticContact CE1-ND1 3.42Å; Y386-H390 WeakPolarHBondContact CE1-ND1 3.48Å; Y386-H390 AromaticContact CE1-NE2 3.8Å; Y386-H390 HydrophobicContact CE2-CB 3.48Å; Y386-H390 VanDerWaalsContact CE2-CB 3.48Å; Y386-H390 AromaticContact CE2-CD2 3.87Å; Y386-H390 AromaticContact CE2-CG 3.54Å; Y386-H390 HydrophobicContact CG-CB 4.15Å; Y386-H390 AromaticContact CZ-CD2 3.43Å; Y386-H390 VanDerWaalsContact CZ-CD2 3.43Å; Y386-H390 AromaticContact CZ-CE1 3.84Å; Y386-H390 AromaticContact CZ-CG 3.42Å; Y386-H390 VanDerWaalsContact CZ-CG 3.42Å; Y386-H390 AromaticContact CZ-ND1 3.68Å; Y386-H390 AromaticContact CZ-NE2 3.73Å; Y386-H390 PolarHBondContact O-ND1 2.89Å; Y386-H390 PolarHBondContact OH-CD2 2.84Å; Y386-F396 HydrophobicContact CD1-CD2 4Å; Y386-F396 HydrophobicContact CD1-CE2 4.39Å; Y386-F396 HydrophobicContact CD1-CG 4.17Å; Y386-F396 HydrophobicContact CD2-CB 4.18Å; Y386-F396 AromaticContact CD2-CD2 3.41Å; Y386-F396 HydrophobicContact CD2-CD2 3.41Å; Y386-F396 VanDerWaalsContact CD2-CD2 3.41Å; Y386-F396 HydrophobicContact CD2-CE2 4.12Å; Y386-F396 HydrophobicContact CD2-CG 4.05Å; Y386-F396 HydrophobicContact CE1-CB 4.18Å; Y386-F396 HydrophobicContact CE1-CD2 4.44Å; Y386-F396 HydrophobicContact CE1-CG 4.24Å; Y386-F396 HydrophobicContact CE2-CB 3.73Å; Y386-F396 AromaticContact CE2-CD2 3.89Å; Y386-F396 HydrophobicContact CE2-CD2 3.89Å; Y386-F396 HydrophobicContact CE2-CG 4.11Å; Y386-F396 AromaticContact CG-CD2 3.45Å; Y386-F396 HydrophobicContact CG-CD2 3.45Å; Y386-F396 VanDerWaalsContact CG-CD2 3.45Å; Y386-F396 AromaticContact CG-CE2 3.79Å; Y386-F396 HydrophobicContact CG-CE2 3.79Å; Y386-F396 HydrophobicContact CG-CG 4.07Å; Y386-Y593 HydrophobicContact CD1-CE2 4.31Å; Y386-Y593 AromaticContact CE1-CE2 3.8Å; Y386-Y593 HydrophobicContact CE1-CE2 3.8Å
387N92.1Very high90.8Very high68 Ų6825.9 Ų25.936%0.36414%0.14SC..Hα-helixtrans-69.9-16177.4-73.8-70000113.6A383 G389A383-N387 WeakPolarHBondContact O-CB 3.39Å; A383-N387 PolarHBondContact O-N 3.29Å; A383-N387 PolarHBondContact O-ND2 2.85Å; N387-G389 VanDerWaalsContact C-N 3.3Å
388A91.1Very high90.7Very high3 Ų326.9 Ų26.93%0.02515%0.145CC..THydrogen-bonded Turntrans-79-8.9171.700000114.1E384 Q385 Y386 H490 E491 I494E384-A388 WeakPolarHBondContact O-CB 3.09Å; E384-A388 PolarHBondContact O-N 3.36Å; E384-A388 VanDerWaalsContact O-N 3.16Å; Q385-A388 WeakPolarHBondContact O-CB 3.46Å; Q385-A388 PolarHBondContact O-N 3.11Å; Y386-A388 PolarHBondContact O-N 2.98Å; A388-H490 WeakPolarHBondContact O-CA 3.49Å; A388-E491 PolarHBondContact O-N 3.26Å; A388-E491 VanDerWaalsContact O-N 3.16Å; A388-I494 HydrophobicContact CB-CB 4.37Å; A388-I494 HydrophobicContact CB-CD1 3.74Å; A388-I494 HydrophobicContact CB-CG1 3.7Å
389G90.4Very high90.5Very high0 Ų027 Ų270%015%0.146CC..  trans149.8131.4179.300000111.5R381 Y386 N387 Y471 I488R381-G389 PolarHBondContact NH2-O 2.8Å; Y386-G389 CarbonylContact O-C 3.6Å; Y386-G389 PolarHBondContact O-N 3.33Å; Y386-G389 VanDerWaalsContact O-N 3.13Å; N387-G389 VanDerWaalsContact C-N 3.3Å; G389-Y471 VanDerWaalsContact O-CE2 3.27Å; G389-Y471 WeakPolarHBondContact O-CE2 3.37Å; G389-Y471 PolarHBondContact O-OH 3.31Å; G389-Y471 VanDerWaalsContact O-OH 3.11Å; G389-I488 WeakPolarHBondContact CA-O 3.47Å
390H90.8Very high90.3Very high9 Ų929.1 Ų29.14%0.04216%0.161CC..BIsolated β-bridgetrans-151161.1178.156.2-90.9000112Y386 L487 I488Y386-H390 AromaticContact CD1-ND1 3.63Å; Y386-H390 HydrophobicContact CD2-CB 3.59Å; Y386-H390 AromaticContact CD2-CG 3.93Å; Y386-H390 HydrophobicContact CE1-CB 4.43Å; Y386-H390 AromaticContact CE1-CD2 3.91Å; Y386-H390 AromaticContact CE1-CE1 3.48Å; Y386-H390 VanDerWaalsContact CE1-CE1 3.48Å; Y386-H390 WeakPolarHBondContact CE1-CE1 3.42Å; Y386-H390 AromaticContact CE1-CG 3.7Å; Y386-H390 AromaticContact CE1-ND1 3.42Å; Y386-H390 WeakPolarHBondContact CE1-ND1 3.48Å; Y386-H390 AromaticContact CE1-NE2 3.8Å; Y386-H390 HydrophobicContact CE2-CB 3.48Å; Y386-H390 VanDerWaalsContact CE2-CB 3.48Å; Y386-H390 AromaticContact CE2-CD2 3.87Å; Y386-H390 AromaticContact CE2-CG 3.54Å; Y386-H390 HydrophobicContact CG-CB 4.15Å; Y386-H390 AromaticContact CZ-CD2 3.43Å; Y386-H390 VanDerWaalsContact CZ-CD2 3.43Å; Y386-H390 AromaticContact CZ-CE1 3.84Å; Y386-H390 AromaticContact CZ-CG 3.42Å; Y386-H390 VanDerWaalsContact CZ-CG 3.42Å; Y386-H390 AromaticContact CZ-ND1 3.68Å; Y386-H390 AromaticContact CZ-NE2 3.73Å; Y386-H390 PolarHBondContact O-ND1 2.89Å; Y386-H390 PolarHBondContact OH-CD2 2.84Å; H390-L487 CarbonylContact O-C 3.47Å; H390-L487 VanDerWaalsContact O-CA 3.23Å; H390-L487 WeakPolarHBondContact O-CA 3.34Å; H390-I488 PolarHBondContact N-O 3.45Å; H390-I488 PolarHBondContact O-N 2.96Å
391L89Confident90.1Very high7 Ų730.9 Ų30.94%0.03717%0.17CC..  trans-74.3139.8174.3-77.5164.7000110.8L343 L377 T393 A394 L474 L487L343-L391 HydrophobicContact CD2-CD1 4.37Å; L343-L391 HydrophobicContact CD2-CD2 4.29Å; L377-L391 HydrophobicContact CD2-CB 4.15Å; L377-L391 HydrophobicContact CD2-CD1 3.66Å; L391-T393 PolarHBondContact O-N 2.92Å; L391-T393 VanDerWaalsContact O-N 3.15Å; L391-A394 HydrophobicContact CB-CB 4.19Å; L391-A394 WeakPolarHBondContact O-CB 3.28Å; L391-A394 PolarHBondContact O-N 3.37Å; L391-A394 VanDerWaalsContact O-N 3.11Å; L391-L474 HydrophobicContact CD1-CD1 3.98Å; L391-L474 HydrophobicContact CD1-CD2 3.68Å; L391-L474 HydrophobicContact CD2-CD1 4.42Å; L391-L474 HydrophobicContact CG-CD1 4.47Å; L391-L474 HydrophobicContact CG-CD2 3.9Å; L391-L487 HydrophobicContact CD2-CD2 3.8Å; L391-L487 HydrophobicContact CG-CD2 3.86Å
392P84Confident90Very high74 Ų7431.9 Ų31.948%0.48118%0.175SC..THydrogen-bonded Turntrans-62.7-22.4-177.826.2-36.4000113.9S486 I488P392-S486 VanDerWaalsContact CD-O 3.24Å; P392-S486 WeakPolarHBondContact CD-O 3.45Å; P392-I488 HydrophobicContact CB-CD1 3.71Å; P392-I488 HydrophobicContact CB-CG1 4.06Å
393T82.8Confident89.9Confident54 Ų5436.4 Ų36.433%0.33120%0.195SC..THydrogen-bonded Turntrans-93-0.5-178.9470000113.5Q346 L391Q346-T393 VanDerWaalsContact CD-OG1 3.29Å; Q346-T393 PolarHBondContact NE2-OG1 3.45Å; Q346-T393 PolarHBondContact OE1-OG1 3.18Å; L391-T393 PolarHBondContact O-N 2.92Å; L391-T393 VanDerWaalsContact O-N 3.15Å
394A88.1Confident89.9Confident4 Ų438.9 Ų38.93%0.03321%0.211CC..PPolyproline II helixtrans-92.4119.6-173.900000112.5L377 D379 L391L377-A394 HydrophobicContact CD2-CB 3.77Å; L377-A394 HydrophobicContact CG-CB 3.83Å; L377-A394 WeakPolarHBondContact O-CA 3.34Å; D379-A394 HydrophobicContact CB-CB 4.09Å; L391-A394 HydrophobicContact CB-CB 4.19Å; L391-A394 WeakPolarHBondContact O-CB 3.28Å; L391-A394 PolarHBondContact O-N 3.37Å; L391-A394 VanDerWaalsContact O-N 3.11Å
395F89.9Confident90Very high40 Ų4036 Ų3618%0.17520%0.198CC..EExtended strand (participates in β ladder)trans-68.8129.9168.7-175.4-83.2000109.8L376 L377 V378 D379 L397 F415 L416 F600L376-F395 HydrophobicContact CD1-CB 4.42Å; L377-F395 PolarHBondContact O-N 3.25Å; V378-F395 CarbonylContact C-O 3.5Å; V378-F395 WeakPolarHBondContact CA-O 3.46Å; V378-F395 HydrophobicContact CG1-CD1 4.42Å; D379-F395 PolarHBondContact N-O 3.42Å; F395-L397 HydrophobicContact CD1-CB 4.46Å; F395-L397 HydrophobicContact CE1-CB 4.45Å; F395-F415 HydrophobicContact CE2-CE1 4.39Å; F395-F415 HydrophobicContact CZ-CD1 4.33Å; F395-L416 HydrophobicContact CD1-CD1 3.66Å; F395-L416 HydrophobicContact CD1-CG 4.18Å; F395-L416 HydrophobicContact CE1-CB 4.19Å; F395-L416 HydrophobicContact CE1-CD1 3.75Å; F395-L416 HydrophobicContact CE1-CG 4.14Å; F395-L416 HydrophobicContact CG-CD1 4.46Å; F395-L416 HydrophobicContact CZ-CB 4.29Å; F395-F600 HydrophobicContact CD2-CE2 4.19Å; F395-F600 HydrophobicContact CD2-CZ 4.4Å; F395-F600 HydrophobicContact CE2-CE2 4.26Å
396F93Very high90Very high44 Ų4437.9 Ų37.919%0.19321%0.212CC..EExtended strand (participates in β ladder)trans-85.7123.9-179.8179.5-123.2000112.3R381 A383 Y386 D398 Y593R381-F396 WeakPolarHBondContact O-CE2 3.32Å; A383-F396 HydrophobicContact CB-CE1 4.42Å; A383-F396 HydrophobicContact CB-CZ 3.83Å; Y386-F396 HydrophobicContact CD1-CD2 4Å; Y386-F396 HydrophobicContact CD1-CE2 4.39Å; Y386-F396 HydrophobicContact CD1-CG 4.17Å; Y386-F396 HydrophobicContact CD2-CB 4.18Å; Y386-F396 AromaticContact CD2-CD2 3.41Å; Y386-F396 HydrophobicContact CD2-CD2 3.41Å; Y386-F396 VanDerWaalsContact CD2-CD2 3.41Å; Y386-F396 HydrophobicContact CD2-CE2 4.12Å; Y386-F396 HydrophobicContact CD2-CG 4.05Å; Y386-F396 HydrophobicContact CE1-CB 4.18Å; Y386-F396 HydrophobicContact CE1-CD2 4.44Å; Y386-F396 HydrophobicContact CE1-CG 4.24Å; Y386-F396 HydrophobicContact CE2-CB 3.73Å; Y386-F396 AromaticContact CE2-CD2 3.89Å; Y386-F396 HydrophobicContact CE2-CD2 3.89Å; Y386-F396 HydrophobicContact CE2-CG 4.11Å; Y386-F396 AromaticContact CG-CD2 3.45Å; Y386-F396 HydrophobicContact CG-CD2 3.45Å; Y386-F396 VanDerWaalsContact CG-CD2 3.45Å; Y386-F396 AromaticContact CG-CE2 3.79Å; Y386-F396 HydrophobicContact CG-CE2 3.79Å; Y386-F396 HydrophobicContact CG-CG 4.07Å; F396-D398 HydrophobicContact CE1-CB 3.89Å; F396-D398 HydrophobicContact CE2-CB 4.19Å; F396-D398 HydrophobicContact CZ-CB 3.48Å; F396-D398 VanDerWaalsContact CZ-CB 3.48Å; F396-Y593 HydrophobicContact CD1-CE2 4.26Å
397L93.2Very high90Very high2 Ų243.7 Ų43.71%0.0124%0.243CC..  trans-13386.2174.2-179.662.9000110.3V378 D379 C380 F395 S399 F409 A412 V413 L416 F437 V452 F456V378-L397 HydrophobicContact CG1-CB 3.63Å; V378-L397 HydrophobicContact CG1-CD2 4.13Å; D379-L397 PolarHBondContact O-N 3.04Å; C380-L397 WeakPolarHBondContact CA-O 3.31Å; C380-L397 PolarHBondContact SG-O 2.96Å; C380-L397 VanDerWaalsContact SG-O 3.4Å; F395-L397 HydrophobicContact CD1-CB 4.46Å; F395-L397 HydrophobicContact CE1-CB 4.45Å; L397-S399 PolarHBondContact O-N 2.95Å; L397-F409 HydrophobicContact CD1-CD2 4.13Å; L397-F409 HydrophobicContact CD1-CE2 4.04Å; L397-F409 HydrophobicContact CD2-CE2 4.1Å; L397-F409 HydrophobicContact CG-CE2 4.08Å; L397-A412 HydrophobicContact CD1-CB 3.78Å; L397-V413 HydrophobicContact CD2-CG2 4.24Å; L397-L416 HydrophobicContact CD2-CD1 4.16Å; L397-F437 HydrophobicContact CD2-CE1 4.46Å; L397-V452 HydrophobicContact CD2-CG1 3.97Å; L397-F456 HydrophobicContact CD2-CE2 4.05Å; L397-F456 HydrophobicContact CD2-CZ 4.22Å
398D91.4Very high90.1Very high22 Ų2245.7 Ų45.712%0.11825%0.249CC..  trans-52.5110.9-178.1-166.9-26.9000112.4F396 S400 L401F396-D398 HydrophobicContact CE1-CB 3.89Å; F396-D398 HydrophobicContact CE2-CB 4.19Å; F396-D398 HydrophobicContact CZ-CB 3.48Å; F396-D398 VanDerWaalsContact CZ-CB 3.48Å; D398-S400 PolarHBondContact O-N 3.04Å; D398-S400 VanDerWaalsContact OD1-CB 3.22Å; D398-S400 WeakPolarHBondContact OD1-CB 3.35Å; D398-S400 PolarHBondContact OD1-N 3.34Å; D398-S400 PolarHBondContact OD1-OG 3.27Å; D398-S400 PolarHBondContact OD2-OG 3.44Å; D398-L401 HydrophobicContact CB-CD1 3.97Å; D398-L401 HydrophobicContact CB-CG 4.02Å; D398-L401 WeakPolarHBondContact O-CB 3.39Å; D398-L401 PolarHBondContact O-N 3.38Å
399S89.9Confident90.1Very high3 Ų345.8 Ų45.82%0.02125%0.249CC..THydrogen-bonded Turntrans-70.8-13.2-179.560.30000113.7C380 L397 L401 I402 L448C380-S399 WeakPolarHBondContact O-CB 3.33Å; C380-S399 PolarHBondContact O-OG 3.18Å; L397-S399 PolarHBondContact O-N 2.95Å; S399-L401 PolarHBondContact O-N 2.95Å; S399-I402 WeakPolarHBondContact O-CG2 3.41Å; S399-I402 PolarHBondContact O-N 2.93Å; S399-L448 WeakPolarHBondContact OG-CB 3.39Å
400S89.8Confident90.2Very high44 Ų4449.5 Ų49.531%0.30827%0.266SS..THydrogen-bonded Turntrans-69.1-22.1171.874.70000112.7D398 I402 M403 S404D398-S400 PolarHBondContact O-N 3.04Å; D398-S400 VanDerWaalsContact OD1-CB 3.22Å; D398-S400 WeakPolarHBondContact OD1-CB 3.35Å; D398-S400 PolarHBondContact OD1-N 3.34Å; D398-S400 PolarHBondContact OD1-OG 3.27Å; D398-S400 PolarHBondContact OD2-OG 3.44Å; S400-I402 VanDerWaalsContact C-N 3.26Å; S400-I402 PolarHBondContact O-N 3.36Å; S400-M403 PolarHBondContact O-N 3.49Å; S400-S404 WeakPolarHBondContact O-CB 3.28Å; S400-S404 PolarHBondContact O-N 3.04Å; S400-S404 PolarHBondContact O-OG 3.32Å
401L90.4Very high90.3Very high39 Ų3953.9 Ų53.920%0.20429%0.289CS..Hα-helixtrans-65.4-26.6177.8-66.1173.1000112.8D398 S399 M403 S404 E405 F409D398-L401 HydrophobicContact CB-CD1 3.97Å; D398-L401 HydrophobicContact CB-CG 4.02Å; D398-L401 WeakPolarHBondContact O-CB 3.39Å; D398-L401 PolarHBondContact O-N 3.38Å; S399-L401 PolarHBondContact O-N 2.95Å; L401-M403 PolarHBondContact O-N 3.45Å; L401-S404 WeakPolarHBondContact CA-OG 3.32Å; L401-E405 CarbonylContact O-C 3.5Å; L401-E405 PolarHBondContact O-N 2.85Å; L401-F409 HydrophobicContact CB-CB 3.92Å; L401-F409 HydrophobicContact CB-CD2 4.34Å
402I89.6Confident90.4Very high25 Ų2554.9 Ų54.913%0.12830%0.299CS..Hα-helixtrans-66.5-26.7-179.8-156.1169.9000112.5S399 S400 F409 M451 V452S399-I402 WeakPolarHBondContact O-CG2 3.41Å; S399-I402 PolarHBondContact O-N 2.93Å; S400-I402 VanDerWaalsContact C-N 3.26Å; S400-I402 PolarHBondContact O-N 3.36Å; I402-F409 HydrophobicContact CB-CD1 4.1Å; I402-F409 HydrophobicContact CB-CD2 4.36Å; I402-F409 HydrophobicContact CB-CE1 4.21Å; I402-F409 HydrophobicContact CB-CE2 4.48Å; I402-F409 HydrophobicContact CB-CG 4.18Å; I402-F409 HydrophobicContact CB-CZ 4.41Å; I402-F409 HydrophobicContact CD1-CD1 4.17Å; I402-F409 HydrophobicContact CD1-CE1 3.53Å; I402-F409 HydrophobicContact CD1-CZ 3.82Å; I402-F409 HydrophobicContact CG1-CD1 3.71Å; I402-F409 HydrophobicContact CG1-CE1 3.62Å; I402-F409 HydrophobicContact CG1-CG 4.3Å; I402-F409 HydrophobicContact CG1-CZ 4.17Å; I402-M451 HydrophobicContact CD1-CB 3.95Å; I402-M451 HydrophobicContact CG2-CE 4.13Å; I402-V452 HydrophobicContact CD1-CG2 4.28Å
403M88.6Confident90.7Very high122 Ų12251.3 Ų51.360%0.60128%0.276SS*.Hα-helixtrans-99.7-38.1177.6-67.3-70.499.600112.4S400 L401 L448 M451S400-M403 PolarHBondContact O-N 3.49Å; L401-M403 PolarHBondContact O-N 3.45Å; M403-L448 HydrophobicContact CG-CD2 4.25Å; M403-M451 HydrophobicContact CE-CE 3.83Å; M403-M451 HydrophobicContact CE-SD 3.87Å; M403-M451 HydrophobicContact CG-CE 4.1Å; M403-M451 HydrophobicContact SD-CE 4.03Å
404S89.9Confident91.1Very high75 Ų7554.7 Ų54.752%0.52429%0.286SS..Hα-helixtrans-84.4-45.1-174.456.20000113.7S400 L401S400-S404 WeakPolarHBondContact O-CB 3.28Å; S400-S404 PolarHBondContact O-N 3.04Å; S400-S404 PolarHBondContact O-OG 3.32Å; L401-S404 WeakPolarHBondContact CA-OG 3.32Å
405E92.3Very high91.2Very high87 Ų8759.6 Ų59.641%0.40731%0.307SS..  trans-142.772.1-175.6-66.8-165-107.700111.9L401 L407 K408 F409L401-E405 CarbonylContact O-C 3.5Å; L401-E405 PolarHBondContact O-N 2.85Å; E405-L407 PolarHBondContact O-N 3.17Å; E405-K408 HydrophobicContact CB-CB 4.11Å; E405-K408 HydrophobicContact CB-CD 4.08Å; E405-K408 HydrophobicContact CB-CG 4.2Å; E405-K408 HydrophobicContact CG-CD 4.47Å; E405-K408 WeakPolarHBondContact O-CB 3.36Å; E405-K408 PolarHBondContact O-N 3.02Å; E405-K408 IonicContact OE1-NZ 2.78Å; E405-K408 PolarHBondContact OE1-NZ 3.36Å; E405-K408 VanDerWaalsContact OE2-CD 3.27Å; E405-K408 WeakPolarHBondContact OE2-CD 3.43Å; E405-K408 WeakPolarHBondContact OE2-CE 3.36Å; E405-K408 IonicContact OE2-NZ 3.58Å; E405-K408 PolarHBondContact OE2-NZ 2.7Å; E405-F409 PolarHBondContact O-N 3.48Å; E405-F409 VanDerWaalsContact O-N 3.16Å
406P91.8Very high91.3Very high66 Ų6657.8 Ų57.843%0.42930%0.299SS..Hα-helixtrans-55.8-29.3-171.8-27.134000115F409 Q410P406-F409 PolarHBondContact O-N 3.31Å; P406-Q410 WeakPolarHBondContact O-CG 3.49Å; P406-Q410 PolarHBondContact O-N 3.09Å
407L93Very high91.2Very high129 Ų12957.5 Ų57.568%0.67530%0.299SS*.Hα-helixtrans-70.8-35.8176-65.2176.3000112.7E405 N411E405-L407 PolarHBondContact O-N 3.17Å; L407-N411 WeakPolarHBondContact O-CB 3.29Å; L407-N411 VanDerWaalsContact O-CG 3.22Å; L407-N411 PolarHBondContact O-N 2.99Å; L407-N411 VanDerWaalsContact O-N 3.11Å; L407-N411 PolarHBondContact O-ND2 3.21Å
408K92.6Very high91Very high111 Ų11159.3 Ų59.348%0.48331%0.312SS..Hα-helixtrans-66.6-43.3171.4-74.5-175.1-179.9158.80110.3E405 N411 A412E405-K408 HydrophobicContact CB-CB 4.11Å; E405-K408 HydrophobicContact CB-CD 4.08Å; E405-K408 HydrophobicContact CB-CG 4.2Å; E405-K408 HydrophobicContact CG-CD 4.47Å; E405-K408 WeakPolarHBondContact O-CB 3.36Å; E405-K408 PolarHBondContact O-N 3.02Å; E405-K408 IonicContact OE1-NZ 2.78Å; E405-K408 PolarHBondContact OE1-NZ 3.36Å; E405-K408 VanDerWaalsContact OE2-CD 3.27Å; E405-K408 WeakPolarHBondContact OE2-CD 3.43Å; E405-K408 WeakPolarHBondContact OE2-CE 3.36Å; E405-K408 IonicContact OE2-NZ 3.58Å; E405-K408 PolarHBondContact OE2-NZ 2.7Å; K408-N411 PolarHBondContact O-N 2.89Å; K408-A412 WeakPolarHBondContact O-CB 3.24Å; K408-A412 PolarHBondContact O-N 3Å
409F92.7Very high90.8Very high5 Ų558.7 Ų58.72%0.02231%0.309CS..Hα-helixtrans-58.9-49.9175.9179.1-107.5000112.2L397 L401 I402 E405 P406 N411 A412 V413 V452 E455L397-F409 HydrophobicContact CD1-CD2 4.13Å; L397-F409 HydrophobicContact CD1-CE2 4.04Å; L397-F409 HydrophobicContact CD2-CE2 4.1Å; L397-F409 HydrophobicContact CG-CE2 4.08Å; L401-F409 HydrophobicContact CB-CB 3.92Å; L401-F409 HydrophobicContact CB-CD2 4.34Å; I402-F409 HydrophobicContact CB-CD1 4.1Å; I402-F409 HydrophobicContact CB-CD2 4.36Å; I402-F409 HydrophobicContact CB-CE1 4.21Å; I402-F409 HydrophobicContact CB-CE2 4.48Å; I402-F409 HydrophobicContact CB-CG 4.18Å; I402-F409 HydrophobicContact CB-CZ 4.41Å; I402-F409 HydrophobicContact CD1-CD1 4.17Å; I402-F409 HydrophobicContact CD1-CE1 3.53Å; I402-F409 HydrophobicContact CD1-CZ 3.82Å; I402-F409 HydrophobicContact CG1-CD1 3.71Å; I402-F409 HydrophobicContact CG1-CE1 3.62Å; I402-F409 HydrophobicContact CG1-CG 4.3Å; I402-F409 HydrophobicContact CG1-CZ 4.17Å; E405-F409 PolarHBondContact O-N 3.48Å; E405-F409 VanDerWaalsContact O-N 3.16Å; P406-F409 PolarHBondContact O-N 3.31Å; F409-N411 VanDerWaalsContact C-N 3.29Å; F409-N411 PolarHBondContact O-N 3.24Å; F409-A412 WeakPolarHBondContact O-CB 3.35Å; F409-A412 PolarHBondContact O-N 3.26Å; F409-A412 VanDerWaalsContact O-N 3.13Å; F409-V413 HydrophobicContact CD1-CG2 4.48Å; F409-V413 HydrophobicContact CD2-CG2 4.44Å; F409-V413 HydrophobicContact CE1-CG2 4.07Å; F409-V413 HydrophobicContact CE2-CG2 4.01Å; F409-V413 HydrophobicContact CZ-CG2 3.8Å; F409-V413 WeakPolarHBondContact O-CG2 3.42Å; F409-V413 PolarHBondContact O-N 3.49Å; F409-V452 HydrophobicContact CE2-CG1 4.16Å; F409-V452 HydrophobicContact CE2-CG2 3.78Å; F409-V452 HydrophobicContact CZ-CB 4.2Å; F409-V452 HydrophobicContact CZ-CG1 3.96Å; F409-V452 HydrophobicContact CZ-CG2 3.8Å; F409-E455 HydrophobicContact CE1-CB 4.31Å; F409-E455 HydrophobicContact CE1-CG 4.05Å
410Q91.5Very high90.9Very high78 Ų7859.2 Ų59.236%0.36431%0.311SS..Hα-helixtrans-59.5-37.3176.1-75.4-179.97.600113.1P406 K414P406-Q410 WeakPolarHBondContact O-CG 3.49Å; P406-Q410 PolarHBondContact O-N 3.09Å; Q410-K414 VanDerWaalsContact O-CG 3.3Å; Q410-K414 WeakPolarHBondContact O-CG 3.41Å; Q410-K414 PolarHBondContact O-N 3.13Å
411N91.9Very high90.8Very high100 Ų10063.8 Ų63.854%0.53533%0.327SS..Hα-helixtrans-70.5-37.7175.9-71.4-16.5000112L407 K408 F409 K414 F415L407-N411 WeakPolarHBondContact O-CB 3.29Å; L407-N411 VanDerWaalsContact O-CG 3.22Å; L407-N411 PolarHBondContact O-N 2.99Å; L407-N411 VanDerWaalsContact O-N 3.11Å; L407-N411 PolarHBondContact O-ND2 3.21Å; K408-N411 PolarHBondContact O-N 2.89Å; F409-N411 VanDerWaalsContact C-N 3.29Å; F409-N411 PolarHBondContact O-N 3.24Å; N411-K414 PolarHBondContact O-N 2.75Å; N411-F415 WeakPolarHBondContact O-CB 3.38Å; N411-F415 PolarHBondContact O-N 3.12Å
412A91.9Very high90.8Very high28 Ų2868.7 Ų68.723%0.23134%0.343CS..Hα-helixtrans-64.4-42.1173.900000112.1L397 K408 F409 F415 L416L397-A412 HydrophobicContact CD1-CB 3.78Å; K408-A412 WeakPolarHBondContact O-CB 3.24Å; K408-A412 PolarHBondContact O-N 3Å; F409-A412 WeakPolarHBondContact O-CB 3.35Å; F409-A412 PolarHBondContact O-N 3.26Å; F409-A412 VanDerWaalsContact O-N 3.13Å; A412-F415 PolarHBondContact O-N 2.94Å; A412-L416 WeakPolarHBondContact O-CB 3.11Å; A412-L416 PolarHBondContact O-N 3.22Å
413V91Very high90.7Very high0 Ų068.1 Ų68.10%034%0.341CS..Hα-helixtrans-62.8-45.5175171.80000111.6L397 F409 F415 L416 L417 F456L397-V413 HydrophobicContact CD2-CG2 4.24Å; F409-V413 HydrophobicContact CD1-CG2 4.48Å; F409-V413 HydrophobicContact CD2-CG2 4.44Å; F409-V413 HydrophobicContact CE1-CG2 4.07Å; F409-V413 HydrophobicContact CE2-CG2 4.01Å; F409-V413 HydrophobicContact CZ-CG2 3.8Å; F409-V413 WeakPolarHBondContact O-CG2 3.42Å; F409-V413 PolarHBondContact O-N 3.49Å; V413-F415 VanDerWaalsContact C-N 3.34Å; V413-F415 PolarHBondContact O-N 3.19Å; V413-L416 PolarHBondContact O-N 2.97Å; V413-L417 HydrophobicContact CG1-CD1 3.97Å; V413-L417 WeakPolarHBondContact O-CG 3.47Å; V413-L417 PolarHBondContact O-N 3.33Å; V413-F456 HydrophobicContact CB-CE2 4.39Å; V413-F456 HydrophobicContact CB-CZ 4.36Å; V413-F456 HydrophobicContact CG1-CD2 4.49Å; V413-F456 HydrophobicContact CG1-CE1 4.26Å; V413-F456 HydrophobicContact CG1-CE2 3.87Å; V413-F456 HydrophobicContact CG1-CZ 3.73Å; V413-F456 HydrophobicContact CG2-CE2 3.66Å; V413-F456 HydrophobicContact CG2-CZ 4Å
414K90.6Very high90.5Very high124 Ų12465 Ų6554%0.53933%0.327SS..Hα-helixtrans-62.8-39174.7-72.2169.8-176172.30112.5Q410 N411 S418Q410-K414 VanDerWaalsContact O-CG 3.3Å; Q410-K414 WeakPolarHBondContact O-CG 3.41Å; Q410-K414 PolarHBondContact O-N 3.13Å; N411-K414 PolarHBondContact O-N 2.75Å; K414-S418 VanDerWaalsContact O-CB 3.3Å; K414-S418 WeakPolarHBondContact O-CB 3.4Å; K414-S418 PolarHBondContact O-N 3.15Å; K414-S418 PolarHBondContact O-OG 3.41Å
415F91.1Very high90.3Very high108 Ų10865.8 Ų65.847%0.47434%0.338SS..Hα-helixtrans-64.6-48.2175.6179.4-95.7000111.2F395 N411 A412 V413 S418 T419F395-F415 HydrophobicContact CE2-CE1 4.39Å; F395-F415 HydrophobicContact CZ-CD1 4.33Å; N411-F415 WeakPolarHBondContact O-CB 3.38Å; N411-F415 PolarHBondContact O-N 3.12Å; A412-F415 PolarHBondContact O-N 2.94Å; V413-F415 VanDerWaalsContact C-N 3.34Å; V413-F415 PolarHBondContact O-N 3.19Å; F415-S418 PolarHBondContact O-OG 3.4Å; F415-T419 VanDerWaalsContact O-CB 3.23Å; F415-T419 WeakPolarHBondContact O-CB 3.29Å; F415-T419 PolarHBondContact O-N 2.82Å; F415-T419 PolarHBondContact O-OG1 3.05Å
416L91Very high90.1Very high2 Ų265.1 Ų65.11%0.0135%0.347CS..Hα-helixtrans-54.6-56.1176.5-176.7166.8000110.8L376 V378 F395 L397 A412 V413 T419 Q420 F456L376-L416 HydrophobicContact CD2-CD2 3.67Å; L376-L416 HydrophobicContact CD2-CG 4.35Å; V378-L416 HydrophobicContact CG1-CD1 4.07Å; V378-L416 HydrophobicContact CG2-CD1 4.01Å; F395-L416 HydrophobicContact CD1-CD1 3.66Å; F395-L416 HydrophobicContact CD1-CG 4.18Å; F395-L416 HydrophobicContact CE1-CB 4.19Å; F395-L416 HydrophobicContact CE1-CD1 3.75Å; F395-L416 HydrophobicContact CE1-CG 4.14Å; F395-L416 HydrophobicContact CG-CD1 4.46Å; F395-L416 HydrophobicContact CZ-CB 4.29Å; L397-L416 HydrophobicContact CD2-CD1 4.16Å; A412-L416 WeakPolarHBondContact O-CB 3.11Å; A412-L416 PolarHBondContact O-N 3.22Å; V413-L416 PolarHBondContact O-N 2.97Å; L416-T419 PolarHBondContact O-N 3.49Å; L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 PolarHBondContact O-N 2.94Å; L416-F456 HydrophobicContact CD1-CZ 4.32Å; L416-F456 HydrophobicContact CD2-CE1 4.38Å
417L90.7Very high89.4Confident38 Ų3864.1 Ų64.120%0.19935%0.349CS..Hα-helixtrans-62.7-47.9-177.5-68.6172.5000112.3V413 T419 Q420 E421 I435 F456 T461V413-L417 HydrophobicContact CG1-CD1 3.97Å; V413-L417 WeakPolarHBondContact O-CG 3.47Å; V413-L417 PolarHBondContact O-N 3.33Å; L417-T419 PolarHBondContact O-N 3.41Å; L417-Q420 WeakPolarHBondContact O-CB 3.3Å; L417-Q420 PolarHBondContact O-N 3.35Å; L417-E421 WeakPolarHBondContact O-CB 3.34Å; L417-E421 PolarHBondContact O-N 2.94Å; L417-I435 HydrophobicContact CD2-CD1 3.59Å; L417-F456 HydrophobicContact CD1-CE1 4.46Å; L417-F456 HydrophobicContact CD2-CD1 4.44Å; L417-F456 HydrophobicContact CD2-CE1 3.95Å; L417-F456 HydrophobicContact CG-CE1 4.24Å; L417-T461 HydrophobicContact CD2-CG2 4.05Å
418S89.8Confident88.6Confident40 Ų4059.7 Ų59.728%0.2833%0.328SS..Hα-helixtrans-67.5-22.817965.80000113.4K414 F415 R422K414-S418 VanDerWaalsContact O-CB 3.3Å; K414-S418 WeakPolarHBondContact O-CB 3.4Å; K414-S418 PolarHBondContact O-N 3.15Å; K414-S418 PolarHBondContact O-OG 3.41Å; F415-S418 PolarHBondContact O-OG 3.4Å; S418-R422 WeakPolarHBondContact O-CB 3.18Å; S418-R422 WeakPolarHBondContact O-CG 3.34Å; S418-R422 PolarHBondContact O-N 3.29Å; S418-R422 PolarHBondContact O-NE 2.77Å; S418-R422 PolarHBondContact O-NH2 2.85Å; S418-R422 PolarHBondContact OG-NH2 3.04Å; S418-R422 VanDerWaalsContact OG-NH2 3.15Å
419T87.5Confident87.4Confident8 Ų860.3 Ų60.35%0.04933%0.329CS..Hα-helixtrans-86.8-33.9176.6-49.50000110.9F415 L416 L417 R422 S423 F600F415-T419 VanDerWaalsContact O-CB 3.23Å; F415-T419 WeakPolarHBondContact O-CB 3.29Å; F415-T419 PolarHBondContact O-N 2.82Å; F415-T419 PolarHBondContact O-OG1 3.05Å; L416-T419 PolarHBondContact O-N 3.49Å; L417-T419 PolarHBondContact O-N 3.41Å; T419-R422 PolarHBondContact OG1-NH2 2.9Å; T419-S423 VanDerWaalsContact O-CB 3.3Å; T419-S423 WeakPolarHBondContact O-CB 3.49Å; T419-S423 PolarHBondContact O-N 3.32Å; T419-S423 PolarHBondContact O-OG 2.91Å; T419-F600 HydrophobicContact CG2-CB 4.34Å; T419-F600 HydrophobicContact CG2-CD1 3.63Å; T419-F600 HydrophobicContact CG2-CD2 3.66Å; T419-F600 HydrophobicContact CG2-CE1 3.68Å; T419-F600 HydrophobicContact CG2-CE2 3.73Å; T419-F600 HydrophobicContact CG2-CG 3.6Å; T419-F600 HydrophobicContact CG2-CZ 3.74Å
420Q90.9Very high86.3Confident14 Ų1463.4 Ų63.47%0.06536%0.355CS..Hα-helixtrans-58.6-51167.1-174.6-170.214.700110.8L376 L416 L417 R422 S423 L424 V431 G432 K433L376-Q420 HydrophobicContact CD2-CB 3.92Å; L376-Q420 HydrophobicContact CD2-CG 3.78Å; L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 PolarHBondContact O-N 2.94Å; L417-Q420 WeakPolarHBondContact O-CB 3.3Å; L417-Q420 PolarHBondContact O-N 3.35Å; Q420-R422 PolarHBondContact O-N 3.17Å; Q420-S423 PolarHBondContact O-N 3.2Å; Q420-S423 VanDerWaalsContact O-N 3.17Å; Q420-L424 HydrophobicContact CG-CD1 3.94Å; Q420-L424 WeakPolarHBondContact O-CG 3.25Å; Q420-L424 PolarHBondContact O-N 2.71Å; Q420-V431 HydrophobicContact CB-CG1 4.42Å; Q420-V431 HydrophobicContact CG-CG1 3.91Å; Q420-G432 PolarHBondContact NE2-O 2.89Å; Q420-K433 PolarHBondContact NE2-O 3.32Å
421E88.4Confident85.7Confident140 Ų14059.8 Ų59.865%0.65434%0.339SS*.Hα-helixtrans-56.4-49.9177.7-177.2176.8-151.700111.9L417 S423 L424 A425L417-E421 WeakPolarHBondContact O-CB 3.34Å; L417-E421 PolarHBondContact O-N 2.94Å; E421-S423 VanDerWaalsContact C-N 3.34Å; E421-S423 PolarHBondContact O-N 3.48Å; E421-L424 PolarHBondContact O-N 2.81Å; E421-A425 WeakPolarHBondContact O-CB 3.41Å; E421-A425 PolarHBondContact O-N 3.39Å
422R90.4Very high85.4Confident143 Ų14355.1 Ų55.154%0.5431%0.314SS..Hα-helixtrans-61.6-38.4175.5-79.6176.1-76.6149.60.3113S418 T419 Q420 A425 A426S418-R422 WeakPolarHBondContact O-CB 3.18Å; S418-R422 WeakPolarHBondContact O-CG 3.34Å; S418-R422 PolarHBondContact O-N 3.29Å; S418-R422 PolarHBondContact O-NE 2.77Å; S418-R422 PolarHBondContact O-NH2 2.85Å; S418-R422 PolarHBondContact OG-NH2 3.04Å; S418-R422 VanDerWaalsContact OG-NH2 3.15Å; T419-R422 PolarHBondContact OG1-NH2 2.9Å; Q420-R422 PolarHBondContact O-N 3.17Å; R422-A425 PolarHBondContact O-N 3.37Å; R422-A426 WeakPolarHBondContact O-CB 3.48Å; R422-A426 PolarHBondContact O-N 3.18Å
423S86.3Confident85.2Confident12 Ų1258 Ų588%0.08432%0.321CS..Hα-helixtrans-69.5-38.8179.2-57.40000112.5T419 Q420 E421 A426 G427 S428 F600T419-S423 VanDerWaalsContact O-CB 3.3Å; T419-S423 WeakPolarHBondContact O-CB 3.49Å; T419-S423 PolarHBondContact O-N 3.32Å; T419-S423 PolarHBondContact O-OG 2.91Å; Q420-S423 PolarHBondContact O-N 3.2Å; Q420-S423 VanDerWaalsContact O-N 3.17Å; E421-S423 VanDerWaalsContact C-N 3.34Å; E421-S423 PolarHBondContact O-N 3.48Å; S423-A426 PolarHBondContact O-N 3.35Å; S423-G427 PolarHBondContact O-N 3.21Å; S423-S428 VanDerWaalsContact O-CB 3.28Å; S423-S428 WeakPolarHBondContact O-CB 3.3Å; S423-S428 PolarHBondContact O-N 3.47Å; S423-F600 WeakPolarHBondContact OG-CD1 3.27Å; S423-F600 WeakPolarHBondContact OG-CE1 3.38Å
424L85.9Confident85.4Confident58 Ų5858.1 Ų58.130%0.30432%0.322SS..Hα-helixtrans-68.5-40.9174.6-69.1169.3000111.1Q420 E421 A426 G427 V431 K433Q420-L424 HydrophobicContact CG-CD1 3.94Å; Q420-L424 WeakPolarHBondContact O-CG 3.25Å; Q420-L424 PolarHBondContact O-N 2.71Å; E421-L424 PolarHBondContact O-N 2.81Å; L424-A426 VanDerWaalsContact C-N 3.3Å; L424-A426 PolarHBondContact O-N 3.44Å; L424-G427 PolarHBondContact O-N 2.65Å; L424-V431 WeakPolarHBondContact CD2-O 3.21Å; L424-K433 HydrophobicContact CD1-CB 4.4Å
425A86.1Confident85.6Confident91 Ų9152.3 Ų52.375%0.75230%0.296SS*.Hα-helixtrans-64.5-32.3174.100000112.9E421 R422 G427E421-A425 WeakPolarHBondContact O-CB 3.41Å; E421-A425 PolarHBondContact O-N 3.39Å; R422-A425 PolarHBondContact O-N 3.37Å; A425-G427 PolarHBondContact O-N 3.13Å
426A86.7Confident85.8Confident73 Ų7347.2 Ų47.260%0.60327%0.274SS*.THydrogen-bonded Turntrans-78.70.6172.100000113.9R422 S423 L424 S428R422-A426 WeakPolarHBondContact O-CB 3.48Å; R422-A426 PolarHBondContact O-N 3.18Å; S423-A426 PolarHBondContact O-N 3.35Å; L424-A426 VanDerWaalsContact C-N 3.3Å; L424-A426 PolarHBondContact O-N 3.44Å; A426-S428 VanDerWaalsContact C-N 3.29Å; A426-S428 PolarHBondContact O-N 3.03Å
427G78Confident86Confident45 Ų4547.1 Ų47.146%0.46427%0.274SS..THydrogen-bonded Turntrans70.917.5-179.500000114.9S423 L424 A425 Y429S423-G427 PolarHBondContact O-N 3.21Å; L424-G427 PolarHBondContact O-N 2.65Å; A425-G427 PolarHBondContact O-N 3.13Å; G427-Y429 PolarHBondContact O-N 2.99Å
428S75.2Confident86.3Confident35 Ų3545.4 Ų45.425%0.24526%0.264CS..  trans-61.6126.4-176.5-177.80000112.1R374 S423 A426 A430R374-S428 PolarHBondContact NH1-O 3.47Å; S423-S428 VanDerWaalsContact O-CB 3.28Å; S423-S428 WeakPolarHBondContact O-CB 3.3Å; S423-S428 PolarHBondContact O-N 3.47Å; A426-S428 VanDerWaalsContact C-N 3.29Å; A426-S428 PolarHBondContact O-N 3.03Å; S428-A430 VanDerWaalsContact C-N 3.31Å; S428-A430 PolarHBondContact OG-N 2.89Å
429Y68.4Low86.5Confident125 Ų12543.7 Ų43.749%0.4925%0.252SS..THydrogen-bonded Turntrans-70.8-26.7175.9-68.7-80.7000112.8G427 V431G427-Y429 PolarHBondContact O-N 2.99Å; Y429-V431 VanDerWaalsContact C-N 3.25Å; Y429-V431 PolarHBondContact O-N 2.78Å
430A68.6Low86.7Confident70 Ų7043.6 Ų43.658%0.57925%0.252SS*.THydrogen-bonded Turntrans-72.4-14.6-175.300000114.2S428S428-A430 VanDerWaalsContact C-N 3.31Å; S428-A430 PolarHBondContact OG-N 2.89Å
431V79Confident86.7Confident2 Ų244.2 Ų44.21%0.01226%0.262CS..  trans-122.7125.5-171.5-178.40000110.4R374 Q420 L424 Y429 F600R374-V431 PolarHBondContact NH1-O 3.33Å; R374-V431 VanDerWaalsContact NH1-O 3.17Å; Q420-V431 HydrophobicContact CB-CG1 4.42Å; Q420-V431 HydrophobicContact CG-CG1 3.91Å; L424-V431 WeakPolarHBondContact CD2-O 3.21Å; Y429-V431 VanDerWaalsContact C-N 3.25Å; Y429-V431 PolarHBondContact O-N 2.78Å; V431-F600 HydrophobicContact CG2-CD1 4.23Å; V431-F600 HydrophobicContact CG2-CE1 3.73Å
432G85.1Confident86.6Confident1 Ų141.7 Ų41.71%0.0125%0.247CC..  trans-92.4162178.500000115R374 Q420R374-G432 VanDerWaalsContact C-CA 3.42Å; R374-G432 CarbonylContact O-C 3.46Å; R374-G432 WeakPolarHBondContact O-CA 3.28Å; Q420-G432 PolarHBondContact NE2-O 2.89Å
433K88.9Confident86.2Confident88 Ų8841.9 Ų41.938%0.38325%0.251SS..SBendtrans-76.3-31.3171.8-169.1-163.4-170.9-160.70111.9N303 R374 Q420 L424 Y463N303-K433 PolarHBondContact OD1-NZ 2.96Å; N303-K433 VanDerWaalsContact OD1-NZ 3.11Å; R374-K433 PolarHBondContact O-N 3.43Å; R374-K433 VanDerWaalsContact O-N 3.13Å; Q420-K433 PolarHBondContact NE2-O 3.32Å; L424-K433 HydrophobicContact CD1-CB 4.4Å; K433-Y463 HydrophobicContact CD-CD2 4.16Å; K433-Y463 HydrophobicContact CD-CE2 3.95Å; K433-Y463 HydrophobicContact CG-CD2 4.18Å; K433-Y463 HydrophobicContact CG-CE2 4.39Å; K433-Y463 VanDerWaalsContact NZ-CE2 3.3Å; K433-Y463 VanDerWaalsContact NZ-CZ 3.28Å; K433-Y463 PolarHBondContact NZ-OH 3.32Å
434H93.8Very high86Confident4 Ų447.9 Ų47.92%0.01928%0.283CS..EExtended strand (participates in β ladder)trans-89.2117.7-172.9-61-100.3000110.1Y173 N303 L373 R374 Y375 L376 T436 Y463Y173-H434 AromaticContact CE1-ND1 3.85Å; Y173-H434 AromaticContact CZ-ND1 3.73Å; Y173-H434 PolarHBondContact OH-ND1 2.96Å; N303-H434 PolarHBondContact O-CE1 3.44Å; N303-H434 VanDerWaalsContact O-CE1 3.31Å; L373-H434 HydrophobicContact CD2-CB 4.11Å; R374-H434 PolarHBondContact O-CD2 3.12Å; R374-H434 PolarHBondContact O-N 3.47Å; R374-H434 VanDerWaalsContact O-N 3.17Å; Y375-H434 CarbonylContact C-O 3.32Å; Y375-H434 VanDerWaalsContact CA-O 3.3Å; Y375-H434 WeakPolarHBondContact CA-O 3.43Å; Y375-H434 HydrophobicContact CD1-CB 3.65Å; Y375-H434 HydrophobicContact CE1-CB 3.88Å; L376-H434 PolarHBondContact N-O 3.26Å; H434-T436 PolarHBondContact O-N 3.16Å; H434-Y463 AromaticContact CE1-CD1 3.42Å; H434-Y463 VanDerWaalsContact CE1-CD1 3.42Å; H434-Y463 WeakPolarHBondContact CE1-CD1 3.39Å; H434-Y463 AromaticContact CE1-CE1 3.94Å; H434-Y463 AromaticContact CE1-CG 3.83Å; H434-Y463 AromaticContact ND1-CD1 3.6Å; H434-Y463 AromaticContact ND1-CG 3.76Å
435I95.1Very high85.9Confident2 Ų248.2 Ų48.21%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-88.5113-175.8-54.3179.8000108.7V378 L417 F437 F456 T461 Y463 V464 S465V378-I435 HydrophobicContact CG2-CG2 4.05Å; L417-I435 HydrophobicContact CD2-CD1 3.59Å; I435-F437 HydrophobicContact CG2-CD2 4.47Å; I435-F437 HydrophobicContact CG2-CE1 4.4Å; I435-F437 HydrophobicContact CG2-CE2 3.79Å; I435-F437 HydrophobicContact CG2-CZ 3.75Å; I435-F456 HydrophobicContact CD1-CD1 4.2Å; I435-F456 HydrophobicContact CD1-CE1 4.11Å; I435-F456 HydrophobicContact CG2-CE1 4.44Å; I435-T461 HydrophobicContact CD1-CG2 3.67Å; I435-Y463 PolarHBondContact N-O 3.29Å; I435-V464 WeakPolarHBondContact O-CA 3.08Å; I435-S465 PolarHBondContact O-N 3.34Å; I435-S465 PolarHBondContact O-OG 3.32Å
436T95.7Very high86.1Confident0 Ų044.8 Ų44.80%025%0.252CS..EExtended strand (participates in β ladder)trans-118120.5-175.3-112.60000110.5V342 Y375 L376 L377 V378 H434 S465 I467V342-T436 HydrophobicContact CG1-CG2 4.19Å; V342-T436 HydrophobicContact CG2-CG2 3.95Å; Y375-T436 HydrophobicContact CD1-CG2 4.39Å; L376-T436 PolarHBondContact O-N 3.12Å; L377-T436 HydrophobicContact CD1-CG2 3.83Å; V378-T436 PolarHBondContact N-O 3.31Å; H434-T436 PolarHBondContact O-N 3.16Å; T436-S465 WeakPolarHBondContact CA-O 3.45Å; T436-S465 PolarHBondContact OG1-OG 2.87Å; T436-I467 HydrophobicContact CG2-CD1 3.66Å; T436-I467 HydrophobicContact CG2-CG1 3.82Å
437F96.3Very high86.2Confident1 Ų147.2 Ų47.20%0.00425%0.25CS..EExtended strand (participates in β ladder)trans-91.8136.2-178.4-67.5-76.4000111.7V378 C380 L397 I435 V452 V453 F456 V464 S465 L466 I467V378-F437 HydrophobicContact CB-CD1 3.77Å; V378-F437 HydrophobicContact CB-CE1 3.93Å; V378-F437 HydrophobicContact CG1-CD1 3.93Å; V378-F437 HydrophobicContact CG1-CE1 3.84Å; V378-F437 HydrophobicContact CG2-CE1 4.3Å; V378-F437 CarbonylContact O-C 3.08Å; V378-F437 WeakPolarHBondContact O-CA 3.34Å; C380-F437 VanDerWaalsContact SG-CD1 3.57Å; L397-F437 HydrophobicContact CD2-CE1 4.46Å; I435-F437 HydrophobicContact CG2-CD2 4.47Å; I435-F437 HydrophobicContact CG2-CE1 4.4Å; I435-F437 HydrophobicContact CG2-CE2 3.79Å; I435-F437 HydrophobicContact CG2-CZ 3.75Å; F437-V452 HydrophobicContact CD1-CG1 4.37Å; F437-V452 HydrophobicContact CE1-CG1 3.91Å; F437-V452 HydrophobicContact CZ-CG1 4.44Å; F437-V453 HydrophobicContact CB-CG2 4.21Å; F437-V453 HydrophobicContact CD2-CG2 3.71Å; F437-V453 HydrophobicContact CE2-CG2 4.32Å; F437-V453 HydrophobicContact CG-CG2 4.01Å; F437-F456 HydrophobicContact CE1-CD2 4.43Å; F437-F456 HydrophobicContact CE1-CE2 4.1Å; F437-F456 HydrophobicContact CE1-CZ 4.25Å; F437-F456 HydrophobicContact CE2-CD1 4.41Å; F437-F456 HydrophobicContact CE2-CD2 4.45Å; F437-F456 HydrophobicContact CE2-CG 4.24Å; F437-F456 HydrophobicContact CZ-CB 4.49Å; F437-F456 AromaticContact CZ-CD1 3.87Å; F437-F456 HydrophobicContact CZ-CD1 3.87Å; F437-F456 AromaticContact CZ-CD2 3.66Å; F437-F456 HydrophobicContact CZ-CD2 3.66Å; F437-F456 AromaticContact CZ-CE1 3.89Å; F437-F456 HydrophobicContact CZ-CE1 3.89Å; F437-F456 AromaticContact CZ-CE2 3.67Å; F437-F456 HydrophobicContact CZ-CE2 3.67Å; F437-F456 AromaticContact CZ-CG 3.76Å; F437-F456 HydrophobicContact CZ-CG 3.76Å; F437-F456 AromaticContact CZ-CZ 3.79Å; F437-F456 HydrophobicContact CZ-CZ 3.79Å; F437-V464 HydrophobicContact CD2-CG1 4.4Å; F437-V464 HydrophobicContact CE2-CG1 4.03Å; F437-S465 WeakPolarHBondContact CD2-O 3.46Å; F437-S465 PolarHBondContact N-O 2.93Å; F437-L466 HydrophobicContact CB-CD1 3.87Å; F437-I467 WeakPolarHBondContact O-CG1 3.34Å; F437-I467 PolarHBondContact O-N 2.93Å
438L95.5Very high86.8Confident1 Ų147.5 Ų47.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-106117.2172.5-175.969000109.3L377 V378 C380 I467 G470 Y471 L474L377-L438 HydrophobicContact CD1-CB 4.09Å; V378-L438 PolarHBondContact O-N 3.24Å; C380-L438 PolarHBondContact N-O 2.83Å; L438-I467 HydrophobicContact CB-CD1 4.16Å; L438-I467 HydrophobicContact CD1-CB 4.24Å; L438-I467 HydrophobicContact CD1-CD1 3.76Å; L438-I467 HydrophobicContact CD1-CG2 4.18Å; L438-G470 VanDerWaalsContact CD1-C 3.48Å; L438-Y471 HydrophobicContact CD2-CD2 4.34Å; L438-L474 HydrophobicContact CD2-CD2 4.38Å
439S94.6Very high87.6Confident4 Ų446 Ų463%0.02823%0.231CC..  trans-96.5-173.5175.275.10000111.6G441 D446 Y471S439-G441 PolarHBondContact OG-N 2.84Å; S439-D446 VanDerWaalsContact CB-OD1 3.29Å; S439-D446 WeakPolarHBondContact CB-OD1 3.22Å; S439-D446 VanDerWaalsContact CB-OD2 3.28Å; S439-D446 WeakPolarHBondContact CB-OD2 3.49Å; S439-D446 VanDerWaalsContact OG-CG 3.25Å; S439-D446 PolarHBondContact OG-OD1 3.35Å; S439-D446 PolarHBondContact OG-OD2 3.44Å; S439-Y471 WeakPolarHBondContact O-CB 3.49Å; S439-Y471 PolarHBondContact O-N 3.44Å
440T93Very high88.8Confident7 Ų742.7 Ų42.74%0.04322%0.222CC..  trans-72.3-33.317476.10000111.9R381 Q385 R442 E445 D446 T472R381-T440 HydrophobicContact CG-CG2 4.06Å; Q385-T440 VanDerWaalsContact OE1-CG2 3.27Å; T440-R442 WeakPolarHBondContact OG1-CB 3.48Å; T440-R442 PolarHBondContact OG1-N 2.68Å; T440-E445 HydrophobicContact CG2-CB 3.82Å; T440-D446 WeakPolarHBondContact CA-OD1 3.09Å; T440-D446 VanDerWaalsContact CB-OD1 3.27Å; T440-D446 WeakPolarHBondContact CB-OD1 3.48Å; T440-D446 PolarHBondContact N-OD1 3.44Å; T440-D446 PolarHBondContact OG1-OD1 2.84Å; T440-T472 PolarHBondContact O-N 2.75Å; T440-T472 VanDerWaalsContact O-N 3.16Å; T440-T472 PolarHBondContact O-OG1 3.1Å
441G90Very high90Very high27 Ų2742.7 Ų42.728%0.27821%0.211SC..SBendtrans93.62-168.300000114.5S439 D446 G469S439-G441 PolarHBondContact OG-N 2.84Å; G441-D446 WeakPolarHBondContact CA-OD2 3.44Å; G441-D446 PolarHBondContact N-OD1 3.19Å; G441-D446 PolarHBondContact N-OD2 3.05Å; G441-G469 WeakPolarHBondContact CA-O 3.39Å
442R86.9Confident90.7Very high86 Ų8642.6 Ų42.633%0.32521%0.21SC..  trans-111.5120.8-179.6-61.2169.3176.2-173.8-0.6109.5T440 D444 E445 D446 L496T440-R442 WeakPolarHBondContact OG1-CB 3.48Å; T440-R442 PolarHBondContact OG1-N 2.68Å; R442-D444 PolarHBondContact O-N 3.42Å; R442-E445 HydrophobicContact CB-CB 4.43Å; R442-E445 HydrophobicContact CB-CG 4.46Å; R442-E445 WeakPolarHBondContact CD-OE1 3.29Å; R442-E445 IonicContact CZ-OE1 2.75Å; R442-E445 IonicContact NE-OE1 2.63Å; R442-E445 IonicContact NH1-OE1 2.76Å; R442-E445 PolarHBondContact NH1-OE1 3.3Å; R442-E445 PolarHBondContact O-N 3.12Å; R442-D446 PolarHBondContact N-OD2 2.94Å; R442-D446 WeakPolarHBondContact O-CB 3.49Å; R442-D446 VanDerWaalsContact O-CG 3.26Å; R442-D446 PolarHBondContact O-N 2.89Å; R442-L496 PolarHBondContact NH2-O 2.81Å
443K82.3Confident91.1Very high147 Ų14742.6 Ų42.664%0.63921%0.21SC*.THydrogen-bonded Turntrans-53.9-32.2-174.3-70.8-157.7175.5-164.30114.4D331D331-K443 IonicContact OD2-NZ 2.69Å; D331-K443 PolarHBondContact OD2-NZ 3.11Å
444D80.9Confident91.4Very high139 Ų13940.6 Ų40.674%0.74321%0.21SC*.THydrogen-bonded Turntrans-75.3-35.4-179.1-54.8-45.8000113R442R442-D444 PolarHBondContact O-N 3.42Å
445E83.6Confident91.3Very high64 Ų6441.8 Ų41.830%0.29922%0.215SC..THydrogen-bonded Turntrans-86.5-32.7-179.9-61.7-178.5-132.600111.5Q385 T440 R442 Q447 L448Q385-E445 PolarHBondContact NE2-OE2 3.29Å; T440-E445 HydrophobicContact CG2-CB 3.82Å; R442-E445 HydrophobicContact CB-CB 4.43Å; R442-E445 HydrophobicContact CB-CG 4.46Å; R442-E445 WeakPolarHBondContact CD-OE1 3.29Å; R442-E445 IonicContact CZ-OE1 2.75Å; R442-E445 IonicContact NE-OE1 2.63Å; R442-E445 IonicContact NH1-OE1 2.76Å; R442-E445 PolarHBondContact NH1-OE1 3.3Å; R442-E445 PolarHBondContact O-N 3.12Å; E445-Q447 PolarHBondContact O-N 2.66Å; E445-Q447 VanDerWaalsContact O-N 3.07Å; E445-L448 PolarHBondContact O-N 3.5Å
446D89.9Confident91.2Very high20 Ų2041.7 Ų41.711%0.10722%0.215CC..THydrogen-bonded Turntrans-69.9-4.2-175.7-73.2-1.3000114.2S439 T440 G441 R442 L448 A449 N450S439-D446 VanDerWaalsContact CB-OD1 3.29Å; S439-D446 WeakPolarHBondContact CB-OD1 3.22Å; S439-D446 VanDerWaalsContact CB-OD2 3.28Å; S439-D446 WeakPolarHBondContact CB-OD2 3.49Å; S439-D446 VanDerWaalsContact OG-CG 3.25Å; S439-D446 PolarHBondContact OG-OD1 3.35Å; S439-D446 PolarHBondContact OG-OD2 3.44Å; T440-D446 WeakPolarHBondContact CA-OD1 3.09Å; T440-D446 VanDerWaalsContact CB-OD1 3.27Å; T440-D446 WeakPolarHBondContact CB-OD1 3.48Å; T440-D446 PolarHBondContact N-OD1 3.44Å; T440-D446 PolarHBondContact OG1-OD1 2.84Å; G441-D446 WeakPolarHBondContact CA-OD2 3.44Å; G441-D446 PolarHBondContact N-OD1 3.19Å; G441-D446 PolarHBondContact N-OD2 3.05Å; R442-D446 PolarHBondContact N-OD2 2.94Å; R442-D446 WeakPolarHBondContact O-CB 3.49Å; R442-D446 VanDerWaalsContact O-CG 3.26Å; R442-D446 PolarHBondContact O-N 2.89Å; D446-L448 PolarHBondContact O-N 2.86Å; D446-A449 PolarHBondContact O-N 2.96Å; D446-A449 VanDerWaalsContact O-N 3.15Å; D446-N450 PolarHBondContact O-N 2.83Å
447Q90.1Very high91.2Very high123 Ų12342.6 Ų42.658%0.57522%0.22SC*.Hα-helixtrans-56.3-37.5172.3-60.5-17517.200112.4E445 N450 M451E445-Q447 PolarHBondContact O-N 2.66Å; E445-Q447 VanDerWaalsContact O-N 3.07Å; Q447-N450 PolarHBondContact O-N 2.84Å; Q447-M451 PolarHBondContact O-N 3.11Å
448L90.8Very high91Very high51 Ų5150 Ų5027%0.26725%0.248SC..Hα-helixtrans-68.2-42.6176.4-60.7-176.5000111.5S399 M403 E445 D446 N450 M451 V452S399-L448 WeakPolarHBondContact OG-CB 3.39Å; M403-L448 HydrophobicContact CG-CD2 4.25Å; E445-L448 PolarHBondContact O-N 3.5Å; D446-L448 PolarHBondContact O-N 2.86Å; L448-N450 VanDerWaalsContact C-N 3.33Å; L448-N450 PolarHBondContact O-N 3.26Å; L448-M451 HydrophobicContact CD2-CE 3.55Å; L448-M451 PolarHBondContact O-N 3.19Å; L448-V452 PolarHBondContact O-N 3.37Å; L448-V452 VanDerWaalsContact O-N 3.1Å
449A92.4Very high90.8Very high5 Ų553.2 Ų53.24%0.04126%0.263CS..Hα-helixtrans-63.6-39.1176.500000111.6C380 D446 M451 V452 V453C380-A449 HydrophobicContact CB-CB 4.47Å; D446-A449 PolarHBondContact O-N 2.96Å; D446-A449 VanDerWaalsContact O-N 3.15Å; A449-M451 VanDerWaalsContact C-N 3.33Å; A449-M451 PolarHBondContact O-N 3.22Å; A449-V452 WeakPolarHBondContact O-CB 3.46Å; A449-V452 PolarHBondContact O-N 2.59Å; A449-V452 VanDerWaalsContact O-N 3.14Å; A449-V453 WeakPolarHBondContact O-CG2 3.37Å; A449-V453 PolarHBondContact O-N 2.94Å
450N92.6Very high90.8Very high54 Ų5456 Ų5629%0.28928%0.277SS..Hα-helixtrans-61.3-37.3174.4-76.9-17.1000112.8L333 D446 Q447 L448 A454L333-N450 HydrophobicContact CD1-CB 3.63Å; D446-N450 PolarHBondContact O-N 2.83Å; Q447-N450 PolarHBondContact O-N 2.84Å; L448-N450 VanDerWaalsContact C-N 3.33Å; L448-N450 PolarHBondContact O-N 3.26Å; N450-A454 WeakPolarHBondContact O-CB 3.48Å; N450-A454 PolarHBondContact O-N 3.33Å
451M93Very high90.9Very high71 Ų7156.5 Ų56.535%0.3528%0.28SS..Hα-helixtrans-69.5-35.4172.8-67.5-169.7-67.400112.8I402 M403 Q447 L448 A449 A454 E455I402-M451 HydrophobicContact CD1-CB 3.95Å; I402-M451 HydrophobicContact CG2-CE 4.13Å; M403-M451 HydrophobicContact CE-CE 3.83Å; M403-M451 HydrophobicContact CE-SD 3.87Å; M403-M451 HydrophobicContact CG-CE 4.1Å; M403-M451 HydrophobicContact SD-CE 4.03Å; Q447-M451 PolarHBondContact O-N 3.11Å; L448-M451 HydrophobicContact CD2-CE 3.55Å; L448-M451 PolarHBondContact O-N 3.19Å; A449-M451 VanDerWaalsContact C-N 3.33Å; A449-M451 PolarHBondContact O-N 3.22Å; M451-A454 PolarHBondContact O-N 2.75Å; M451-E455 PolarHBondContact O-N 2.96Å; M451-E455 VanDerWaalsContact O-N 3.11Å
452V93.7Very high91.1Very high0 Ų057.7 Ų57.70%028%0.283CS..Hα-helixtrans-62.4-49.2172.6172.70000110.6L397 I402 F409 F437 L448 A449 A454 E455 F456L397-V452 HydrophobicContact CD2-CG1 3.97Å; I402-V452 HydrophobicContact CD1-CG2 4.28Å; F409-V452 HydrophobicContact CE2-CG1 4.16Å; F409-V452 HydrophobicContact CE2-CG2 3.78Å; F409-V452 HydrophobicContact CZ-CB 4.2Å; F409-V452 HydrophobicContact CZ-CG1 3.96Å; F409-V452 HydrophobicContact CZ-CG2 3.8Å; F437-V452 HydrophobicContact CD1-CG1 4.37Å; F437-V452 HydrophobicContact CE1-CG1 3.91Å; F437-V452 HydrophobicContact CZ-CG1 4.44Å; L448-V452 PolarHBondContact O-N 3.37Å; L448-V452 VanDerWaalsContact O-N 3.1Å; A449-V452 WeakPolarHBondContact O-CB 3.46Å; A449-V452 PolarHBondContact O-N 2.59Å; A449-V452 VanDerWaalsContact O-N 3.14Å; V452-A454 VanDerWaalsContact C-N 3.32Å; V452-A454 PolarHBondContact O-N 3.01Å; V452-E455 PolarHBondContact O-N 2.95Å; V452-F456 HydrophobicContact CG1-CD2 4.38Å; V452-F456 HydrophobicContact CG1-CE2 4.17Å; V452-F456 WeakPolarHBondContact O-CD2 3.32Å; V452-F456 PolarHBondContact O-N 3.01Å
453V94.8Very high91.5Very high0 Ų055.2 Ų55.20%027%0.274CS..Hα-helixtrans-56.3-45.8174.8170.60000111.1C334 F437 A449 E455 F456 L457 V464 L466C334-V453 HydrophobicContact CB-CG1 4.02Å; F437-V453 HydrophobicContact CB-CG2 4.21Å; F437-V453 HydrophobicContact CD2-CG2 3.71Å; F437-V453 HydrophobicContact CE2-CG2 4.32Å; F437-V453 HydrophobicContact CG-CG2 4.01Å; A449-V453 WeakPolarHBondContact O-CG2 3.37Å; A449-V453 PolarHBondContact O-N 2.94Å; V453-E455 VanDerWaalsContact C-N 3.3Å; V453-E455 PolarHBondContact O-N 3.1Å; V453-F456 PolarHBondContact O-N 3.14Å; V453-L457 HydrophobicContact CG1-CD1 3.99Å; V453-L457 HydrophobicContact CG1-CG 4.33Å; V453-L457 WeakPolarHBondContact O-CG 3.43Å; V453-L457 PolarHBondContact O-N 3.02Å; V453-V464 HydrophobicContact CG1-CG1 4.16Å; V453-L466 HydrophobicContact CG2-CD1 4.35Å
454A93.5Very high92.2Very high46 Ų4648.4 Ų48.438%0.3825%0.245SC..Hα-helixtrans-60.2-35.8179.400000113.2N450 M451 V452 L457 R458N450-A454 WeakPolarHBondContact O-CB 3.48Å; N450-A454 PolarHBondContact O-N 3.33Å; M451-A454 PolarHBondContact O-N 2.75Å; V452-A454 VanDerWaalsContact C-N 3.32Å; V452-A454 PolarHBondContact O-N 3.01Å; A454-L457 PolarHBondContact O-N 2.81Å; A454-R458 VanDerWaalsContact O-CB 3.28Å; A454-R458 WeakPolarHBondContact O-CB 3.2Å; A454-R458 PolarHBondContact O-N 3.22Å
455E92.2Very high93Very high30 Ų3041.8 Ų41.814%0.1421%0.209CC..Hα-helixtrans-67.7-39.5175.4175.760.2-166.900112.4F409 M451 V452 V453 R458 Q459F409-E455 HydrophobicContact CE1-CB 4.31Å; F409-E455 HydrophobicContact CE1-CG 4.05Å; M451-E455 PolarHBondContact O-N 2.96Å; M451-E455 VanDerWaalsContact O-N 3.11Å; V452-E455 PolarHBondContact O-N 2.95Å; V453-E455 VanDerWaalsContact C-N 3.3Å; V453-E455 PolarHBondContact O-N 3.1Å; E455-R458 VanDerWaalsContact CD-NH2 3.3Å; E455-R458 PolarHBondContact O-N 2.65Å; E455-R458 IonicContact OE1-CZ 3.36Å; E455-R458 IonicContact OE1-NE 3.72Å; E455-R458 IonicContact OE1-NH2 3.2Å; E455-R458 PolarHBondContact OE1-NH2 2.56Å; E455-R458 IonicContact OE2-CZ 2.86Å; E455-R458 IonicContact OE2-NE 3.72Å; E455-R458 PolarHBondContact OE2-NE 3.42Å; E455-R458 IonicContact OE2-NH2 2.69Å; E455-R458 PolarHBondContact OE2-NH2 3.49Å; E455-R458 VanDerWaalsContact OE2-NH2 3.12Å; E455-Q459 WeakPolarHBondContact O-CG 3.16Å; E455-Q459 PolarHBondContact O-N 3.46Å; E455-Q459 PolarHBondContact OE1-NE2 3.15Å
456F94.3Very high93.5Very high0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-65.6-41.5174.7-82.6-111.4000111.6L397 V413 L416 L417 I435 F437 V452 V453 Q459 N460 T461 V464L397-F456 HydrophobicContact CD2-CE2 4.05Å; L397-F456 HydrophobicContact CD2-CZ 4.22Å; V413-F456 HydrophobicContact CB-CE2 4.39Å; V413-F456 HydrophobicContact CB-CZ 4.36Å; V413-F456 HydrophobicContact CG1-CD2 4.49Å; V413-F456 HydrophobicContact CG1-CE1 4.26Å; V413-F456 HydrophobicContact CG1-CE2 3.87Å; V413-F456 HydrophobicContact CG1-CZ 3.73Å; V413-F456 HydrophobicContact CG2-CE2 3.66Å; V413-F456 HydrophobicContact CG2-CZ 4Å; L416-F456 HydrophobicContact CD1-CZ 4.32Å; L416-F456 HydrophobicContact CD2-CE1 4.38Å; L417-F456 HydrophobicContact CD1-CE1 4.46Å; L417-F456 HydrophobicContact CD2-CD1 4.44Å; L417-F456 HydrophobicContact CD2-CE1 3.95Å; L417-F456 HydrophobicContact CG-CE1 4.24Å; I435-F456 HydrophobicContact CD1-CD1 4.2Å; I435-F456 HydrophobicContact CD1-CE1 4.11Å; I435-F456 HydrophobicContact CG2-CE1 4.44Å; F437-F456 HydrophobicContact CE1-CD2 4.43Å; F437-F456 HydrophobicContact CE1-CE2 4.1Å; F437-F456 HydrophobicContact CE1-CZ 4.25Å; F437-F456 HydrophobicContact CE2-CD1 4.41Å; F437-F456 HydrophobicContact CE2-CD2 4.45Å; F437-F456 HydrophobicContact CE2-CG 4.24Å; F437-F456 HydrophobicContact CZ-CB 4.49Å; F437-F456 AromaticContact CZ-CD1 3.87Å; F437-F456 HydrophobicContact CZ-CD1 3.87Å; F437-F456 AromaticContact CZ-CD2 3.66Å; F437-F456 HydrophobicContact CZ-CD2 3.66Å; F437-F456 AromaticContact CZ-CE1 3.89Å; F437-F456 HydrophobicContact CZ-CE1 3.89Å; F437-F456 AromaticContact CZ-CE2 3.67Å; F437-F456 HydrophobicContact CZ-CE2 3.67Å; F437-F456 AromaticContact CZ-CG 3.76Å; F437-F456 HydrophobicContact CZ-CG 3.76Å; F437-F456 AromaticContact CZ-CZ 3.79Å; F437-F456 HydrophobicContact CZ-CZ 3.79Å; V452-F456 HydrophobicContact CG1-CD2 4.38Å; V452-F456 HydrophobicContact CG1-CE2 4.17Å; V452-F456 WeakPolarHBondContact O-CD2 3.32Å; V452-F456 PolarHBondContact O-N 3.01Å; V453-F456 PolarHBondContact O-N 3.14Å; F456-Q459 PolarHBondContact O-N 3.07Å; F456-N460 PolarHBondContact O-N 2.99Å; F456-T461 HydrophobicContact CD1-CG2 4.26Å; F456-T461 WeakPolarHBondContact O-CB 3.38Å; F456-T461 PolarHBondContact O-N 3.35Å; F456-T461 VanDerWaalsContact O-N 3.15Å; F456-T461 PolarHBondContact O-OG1 3.18Å; F456-V464 HydrophobicContact CB-CG2 4.06Å
457L94.2Very high93.8Very high19 Ų1939.5 Ų39.510%0.09920%0.199CC..Hα-helixtrans-62-42.5173.6-66.7174.4000111.6Q172 C334 V453 A454 Q459 N460 V464Q172-L457 HydrophobicContact CG-CD2 3.96Å; C334-L457 HydrophobicContact CB-CD1 4.24Å; C334-L457 HydrophobicContact CB-CD2 4.37Å; V453-L457 HydrophobicContact CG1-CD1 3.99Å; V453-L457 HydrophobicContact CG1-CG 4.33Å; V453-L457 WeakPolarHBondContact O-CG 3.43Å; V453-L457 PolarHBondContact O-N 3.02Å; A454-L457 PolarHBondContact O-N 2.81Å; L457-Q459 PolarHBondContact O-N 3.31Å; L457-N460 WeakPolarHBondContact O-CA 3.38Å; L457-N460 PolarHBondContact O-N 2.86Å; L457-V464 HydrophobicContact CD2-CB 4.16Å; L457-V464 HydrophobicContact CD2-CG1 3.98Å; L457-V464 HydrophobicContact CG-CG1 4.3Å
458R92.9Very high93.9Very high156 Ų15636.9 Ų36.959%0.58919%0.186SC*.Hα-helixtrans-64.1-27.1177.1-165.3-164.165.468.82.8113.1A454 E455A454-R458 VanDerWaalsContact O-CB 3.28Å; A454-R458 WeakPolarHBondContact O-CB 3.2Å; A454-R458 PolarHBondContact O-N 3.22Å; E455-R458 VanDerWaalsContact CD-NH2 3.3Å; E455-R458 PolarHBondContact O-N 2.65Å; E455-R458 IonicContact OE1-CZ 3.36Å; E455-R458 IonicContact OE1-NE 3.72Å; E455-R458 IonicContact OE1-NH2 3.2Å; E455-R458 PolarHBondContact OE1-NH2 2.56Å; E455-R458 IonicContact OE2-CZ 2.86Å; E455-R458 IonicContact OE2-NE 3.72Å; E455-R458 PolarHBondContact OE2-NE 3.42Å; E455-R458 IonicContact OE2-NH2 2.69Å; E455-R458 PolarHBondContact OE2-NH2 3.49Å; E455-R458 VanDerWaalsContact OE2-NH2 3.12Å
459Q91.8Very high93.8Very high69 Ų6936 Ų3632%0.32219%0.19SC..THydrogen-bonded Turntrans-79.4-4.9171.5-68.9-177.732.700113.1E455 F456 L457 T461E455-Q459 WeakPolarHBondContact O-CG 3.16Å; E455-Q459 PolarHBondContact O-N 3.46Å; E455-Q459 PolarHBondContact OE1-NE2 3.15Å; F456-Q459 PolarHBondContact O-N 3.07Å; L457-Q459 PolarHBondContact O-N 3.31Å; Q459-T461 VanDerWaalsContact C-N 3.35Å
460N94.1Very high93.9Very high62 Ų6235.8 Ų35.833%0.33219%0.188SC..THydrogen-bonded Turntrans6434.8-174.3-44.5-93000113.1P176 K177 F456 L457 P462P176-N460 HydrophobicContact CB-CB 4.44Å; P176-N460 HydrophobicContact CG-CB 4.29Å; P176-N460 WeakPolarHBondContact CG-O 3.43Å; K177-N460 VanDerWaalsContact CA-OD1 3.32Å; K177-N460 WeakPolarHBondContact CA-OD1 3.49Å; K177-N460 HydrophobicContact CB-CB 4.06Å; F456-N460 PolarHBondContact O-N 2.99Å; L457-N460 WeakPolarHBondContact O-CA 3.38Å; L457-N460 PolarHBondContact O-N 2.86Å; N460-P462 WeakPolarHBondContact O-CD 3.5Å
461T94Very high93.9Very high18 Ų1833.4 Ų33.411%0.1118%0.175CC..  trans-73.2120.6176.3-54.20000110.1L417 I435 F456 Q459 V464L417-T461 HydrophobicContact CD2-CG2 4.05Å; I435-T461 HydrophobicContact CD1-CG2 3.67Å; F456-T461 HydrophobicContact CD1-CG2 4.26Å; F456-T461 WeakPolarHBondContact O-CB 3.38Å; F456-T461 PolarHBondContact O-N 3.35Å; F456-T461 VanDerWaalsContact O-N 3.15Å; F456-T461 PolarHBondContact O-OG1 3.18Å; Q459-T461 VanDerWaalsContact C-N 3.35Å; T461-V464 HydrophobicContact CG2-CG2 4.05Å; T461-V464 VanDerWaalsContact O-CG2 3.3Å; T461-V464 WeakPolarHBondContact O-CG2 3.45Å
462P94.9Very high93.9Very high51 Ų5132.1 Ų32.133%0.33117%0.172SC..SBendtrans-75.4167.4179.433.1-36.3000111.6P176 N460 V464P176-P462 HydrophobicContact CG-CB 4.25Å; N460-P462 WeakPolarHBondContact O-CD 3.5Å; P462-V464 PolarHBondContact O-N 3.29Å
463Y96.1Very high93.8Very high35 Ų3533 Ų3314%0.13718%0.178CC..SBendtrans58.628.4176.5-47.2-67.2000114.9Y173 H174 N303 K433 H434 I435Y173-Y463 HydrophobicContact CD1-CD1 4.01Å; Y173-Y463 AromaticContact CE1-CD1 3.67Å; Y173-Y463 HydrophobicContact CE1-CD1 3.67Å; Y173-Y463 HydrophobicContact CE1-CG 4.49Å; Y173-Y463 PolarHBondContact O-N 3.49Å; H174-Y463 AromaticContact ND1-CE1 3.57Å; N303-Y463 HydrophobicContact CB-CE1 4.25Å; K433-Y463 HydrophobicContact CD-CD2 4.16Å; K433-Y463 HydrophobicContact CD-CE2 3.95Å; K433-Y463 HydrophobicContact CG-CD2 4.18Å; K433-Y463 HydrophobicContact CG-CE2 4.39Å; K433-Y463 VanDerWaalsContact NZ-CE2 3.3Å; K433-Y463 VanDerWaalsContact NZ-CZ 3.28Å; K433-Y463 PolarHBondContact NZ-OH 3.32Å; H434-Y463 AromaticContact CE1-CD1 3.42Å; H434-Y463 VanDerWaalsContact CE1-CD1 3.42Å; H434-Y463 WeakPolarHBondContact CE1-CD1 3.39Å; H434-Y463 AromaticContact CE1-CE1 3.94Å; H434-Y463 AromaticContact CE1-CG 3.83Å; H434-Y463 AromaticContact ND1-CD1 3.6Å; H434-Y463 AromaticContact ND1-CG 3.76Å; I435-Y463 PolarHBondContact N-O 3.29Å
464V96.8Very high93.7Very high4 Ų433 Ų332%0.02418%0.178CC..EExtended strand (participates in β ladder)trans-80.7126.3177.11670000111.1Y173 C334 I435 F437 V453 F456 L457 T461 P462Y173-V464 VanDerWaalsContact CD2-O 3.32Å; Y173-V464 WeakPolarHBondContact CD2-O 3.37Å; Y173-V464 WeakPolarHBondContact CE2-O 3.28Å; C334-V464 HydrophobicContact CB-CG1 4.25Å; I435-V464 WeakPolarHBondContact O-CA 3.08Å; F437-V464 HydrophobicContact CD2-CG1 4.4Å; F437-V464 HydrophobicContact CE2-CG1 4.03Å; V453-V464 HydrophobicContact CG1-CG1 4.16Å; F456-V464 HydrophobicContact CB-CG2 4.06Å; L457-V464 HydrophobicContact CD2-CB 4.16Å; L457-V464 HydrophobicContact CD2-CG1 3.98Å; L457-V464 HydrophobicContact CG-CG1 4.3Å; T461-V464 HydrophobicContact CG2-CG2 4.05Å; T461-V464 VanDerWaalsContact O-CG2 3.3Å; T461-V464 WeakPolarHBondContact O-CG2 3.45Å; P462-V464 PolarHBondContact O-N 3.29Å
465S96.7Very high93.6Very high0 Ų031.7 Ų31.70%017%0.165CC..EExtended strand (participates in β ladder)trans-143.3159.8-176.433.80000113.4M335 I337 I435 T436 F437M335-S465 CarbonylContact O-C 3.45Å; M335-S465 WeakPolarHBondContact O-CA 3.29Å; M335-S465 WeakPolarHBondContact O-CB 3.4Å; I337-S465 WeakPolarHBondContact CD1-OG 3.45Å; I435-S465 PolarHBondContact O-N 3.34Å; I435-S465 PolarHBondContact O-OG 3.32Å; T436-S465 WeakPolarHBondContact CA-O 3.45Å; T436-S465 PolarHBondContact OG1-OG 2.87Å; F437-S465 WeakPolarHBondContact CD2-O 3.46Å; F437-S465 PolarHBondContact N-O 2.93Å
466L95.6Very high93.5Very high34 Ų3437.7 Ų37.718%0.17819%0.193CC..EExtended strand (participates in β ladder)trans-127.5136.4-179.1-178.666.3000110.3M335 P336 I337 F437 V453 E468M335-L466 PolarHBondContact O-N 3.23Å; P336-L466 WeakPolarHBondContact CA-O 3.23Å; I337-L466 PolarHBondContact N-O 3.01Å; F437-L466 HydrophobicContact CB-CD1 3.87Å; V453-L466 HydrophobicContact CG2-CD1 4.35Å; L466-E468 PolarHBondContact O-N 3.44Å
467I95.2Very high93.3Very high2 Ų240.8 Ų40.81%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-76120.5179.7-66.4171.3000110.2I337 I339 V342 L377 T436 F437 L438 G469 G470I337-I467 CarbonylContact O-C 3.49Å; I337-I467 WeakPolarHBondContact O-CA 3.45Å; I339-I467 HydrophobicContact CB-CG2 3.88Å; I339-I467 HydrophobicContact CD1-CD1 3.87Å; I339-I467 HydrophobicContact CD1-CG2 4.24Å; V342-I467 HydrophobicContact CG2-CD1 4.2Å; V342-I467 HydrophobicContact CG2-CG1 4.32Å; L377-I467 HydrophobicContact CD1-CD1 3.7Å; T436-I467 HydrophobicContact CG2-CD1 3.66Å; T436-I467 HydrophobicContact CG2-CG1 3.82Å; F437-I467 WeakPolarHBondContact O-CG1 3.34Å; F437-I467 PolarHBondContact O-N 2.93Å; L438-I467 HydrophobicContact CB-CD1 4.16Å; L438-I467 HydrophobicContact CD1-CB 4.24Å; L438-I467 HydrophobicContact CD1-CD1 3.76Å; L438-I467 HydrophobicContact CD1-CG2 4.18Å; I467-G469 PolarHBondContact O-N 3.07Å; I467-G470 PolarHBondContact O-N 3.25Å; I467-G470 VanDerWaalsContact O-N 3.07Å
468E91.5Very high93Very high67 Ų6740.8 Ų40.831%0.31321%0.211SC..THydrogen-bonded Turntrans-64.1127.2177.4-173.5175.7-160.200110.9R311 I337 L466 G470 A473R311-E468 IonicContact CZ-OE1 2.77Å; R311-E468 IonicContact CZ-OE2 3.26Å; R311-E468 IonicContact NH1-OE1 3.26Å; R311-E468 PolarHBondContact NH1-OE1 3.02Å; R311-E468 IonicContact NH1-OE2 2.69Å; R311-E468 PolarHBondContact NH1-OE2 2.83Å; R311-E468 IonicContact NH2-OE1 2.85Å; R311-E468 PolarHBondContact NH2-OE1 3.33Å; R311-E468 IonicContact NH2-OE2 3.94Å; I337-E468 PolarHBondContact O-N 3.42Å; L466-E468 PolarHBondContact O-N 3.44Å; E468-G470 PolarHBondContact O-N 3.34Å; E468-A473 WeakPolarHBondContact O-CB 3.26Å
469G89.9Confident92.7Very high34 Ų3434.7 Ų34.735%0.35120%0.197SC..THydrogen-bonded Turntrans70.22.6-175.500000114.9G441 I467 T472 A473G441-G469 WeakPolarHBondContact CA-O 3.39Å; I467-G469 PolarHBondContact O-N 3.07Å; G469-T472 WeakPolarHBondContact O-CB 3.16Å; G469-T472 PolarHBondContact O-N 2.99Å; G469-A473 PolarHBondContact O-N 3.11Å
470G93.1Very high91.9Very high0 Ų038.4 Ų38.40%022%0.224CC..Hα-helixtrans49.2-141.817100000115.3L438 I467 E468 T472 A473 L474L438-G470 VanDerWaalsContact CD1-C 3.48Å; I467-G470 PolarHBondContact O-N 3.25Å; I467-G470 VanDerWaalsContact O-N 3.07Å; E468-G470 PolarHBondContact O-N 3.34Å; G470-T472 PolarHBondContact O-N 3.38Å; G470-A473 PolarHBondContact O-N 3.08Å; G470-L474 PolarHBondContact O-N 3.47Å; G470-L474 VanDerWaalsContact O-N 3.17Å
471Y93.9Very high90.9Very high4 Ų442.8 Ų42.82%0.01624%0.237CC..Hα-helixtrans-64.6-20.3178.5-176.4-97000113.6R381 G389 L438 S439 L474 H475 L487 C495R381-Y471 VanDerWaalsContact CZ-CE2 3.48Å; G389-Y471 VanDerWaalsContact O-CE2 3.27Å; G389-Y471 WeakPolarHBondContact O-CE2 3.37Å; G389-Y471 PolarHBondContact O-OH 3.31Å; G389-Y471 VanDerWaalsContact O-OH 3.11Å; L438-Y471 HydrophobicContact CD2-CD2 4.34Å; S439-Y471 WeakPolarHBondContact O-CB 3.49Å; S439-Y471 PolarHBondContact O-N 3.44Å; Y471-L474 HydrophobicContact CD2-CD2 3.92Å; Y471-L474 HydrophobicContact CE2-CD2 4.31Å; Y471-H475 AromaticContact CD1-CE1 3.98Å; Y471-H475 AromaticContact CD1-ND1 3.91Å; Y471-H475 AromaticContact CE1-CE1 3.3Å; Y471-H475 WeakPolarHBondContact CE1-CE1 3.42Å; Y471-H475 AromaticContact CE1-ND1 3.69Å; Y471-H475 AromaticContact CE2-CE1 3.88Å; Y471-H475 AromaticContact CZ-CE1 3.25Å; Y471-H475 AromaticContact CZ-ND1 3.96Å; Y471-H475 PolarHBondContact O-N 3.14Å; Y471-H475 PolarHBondContact O-ND1 2.85Å; Y471-H475 PolarHBondContact OH-CE1 3.22Å; Y471-L487 HydrophobicContact CE2-CD1 4.3Å; Y471-C495 PolarHBondContact OH-SG 3.08Å
472T92.8Very high90.1Very high44 Ų4446.9 Ų46.927%0.2726%0.255SS..Hα-helixtrans-70.8-48.7172.5-57.60000110.8T440 G469 G470 L474 H475 E476T440-T472 PolarHBondContact O-N 2.75Å; T440-T472 VanDerWaalsContact O-N 3.16Å; T440-T472 PolarHBondContact O-OG1 3.1Å; G469-T472 WeakPolarHBondContact O-CB 3.16Å; G469-T472 PolarHBondContact O-N 2.99Å; G470-T472 PolarHBondContact O-N 3.38Å; T472-L474 VanDerWaalsContact C-N 3.27Å; T472-L474 PolarHBondContact O-N 3.19Å; T472-H475 WeakPolarHBondContact O-CB 3.34Å; T472-H475 PolarHBondContact O-N 3.1Å; T472-E476 PolarHBondContact O-N 3.22Å
473A92.5Very high89.5Confident17 Ų1744.8 Ų44.814%0.1424%0.241CC..Hα-helixtrans-62.1-33.5174.300000112.6I339 E468 G469 G470 H475 E476 V477I339-A473 HydrophobicContact CG2-CB 4.3Å; E468-A473 WeakPolarHBondContact O-CB 3.26Å; G469-A473 PolarHBondContact O-N 3.11Å; G470-A473 PolarHBondContact O-N 3.08Å; A473-H475 VanDerWaalsContact C-N 3.29Å; A473-H475 PolarHBondContact O-N 2.88Å; A473-E476 PolarHBondContact O-N 3.41Å; A473-V477 WeakPolarHBondContact O-CG2 3.41Å; A473-V477 PolarHBondContact O-N 3.36Å
474L92.6Very high88.6Confident0 Ų045.8 Ų45.80%026%0.263CS..Hα-helixtrans-58.9-38.5171.7175.762.6000112.6I339 L343 L391 L438 G470 Y471 T472 L478 L487I339-L474 HydrophobicContact CD1-CB 4.4Å; I339-L474 HydrophobicContact CD1-CD1 3.98Å; I339-L474 HydrophobicContact CG1-CB 4.04Å; I339-L474 HydrophobicContact CG1-CD1 3.73Å; I339-L474 HydrophobicContact CG1-CG 4.47Å; L343-L474 HydrophobicContact CD1-CD1 4.18Å; L391-L474 HydrophobicContact CD1-CD1 3.98Å; L391-L474 HydrophobicContact CD1-CD2 3.68Å; L391-L474 HydrophobicContact CD2-CD1 4.42Å; L391-L474 HydrophobicContact CG-CD1 4.47Å; L391-L474 HydrophobicContact CG-CD2 3.9Å; L438-L474 HydrophobicContact CD2-CD2 4.38Å; G470-L474 PolarHBondContact O-N 3.47Å; G470-L474 VanDerWaalsContact O-N 3.17Å; Y471-L474 HydrophobicContact CD2-CD2 3.92Å; Y471-L474 HydrophobicContact CE2-CD2 4.31Å; T472-L474 VanDerWaalsContact C-N 3.27Å; T472-L474 PolarHBondContact O-N 3.19Å; L474-L478 HydrophobicContact CD1-CD1 3.64Å; L474-L478 HydrophobicContact CD1-CG 3.9Å; L474-L478 HydrophobicContact CG-CD1 4.05Å; L474-L478 WeakPolarHBondContact O-CB 3.3Å; L474-L478 WeakPolarHBondContact O-CG 3.41Å; L474-L478 PolarHBondContact O-N 3.31Å; L474-L487 HydrophobicContact CD2-CD2 4.12Å
475H91.3Very high87.8Confident20 Ų2052.8 Ų52.89%0.09329%0.289CS..Hα-helixtrans-69.4-36.6175.7-83.559.9000112.7Y471 T472 A473 G479 V483 H490 C495Y471-H475 AromaticContact CD1-CE1 3.98Å; Y471-H475 AromaticContact CD1-ND1 3.91Å; Y471-H475 AromaticContact CE1-CE1 3.3Å; Y471-H475 WeakPolarHBondContact CE1-CE1 3.42Å; Y471-H475 AromaticContact CE1-ND1 3.69Å; Y471-H475 AromaticContact CE2-CE1 3.88Å; Y471-H475 AromaticContact CZ-CE1 3.25Å; Y471-H475 AromaticContact CZ-ND1 3.96Å; Y471-H475 PolarHBondContact O-N 3.14Å; Y471-H475 PolarHBondContact O-ND1 2.85Å; Y471-H475 PolarHBondContact OH-CE1 3.22Å; T472-H475 WeakPolarHBondContact O-CB 3.34Å; T472-H475 PolarHBondContact O-N 3.1Å; A473-H475 VanDerWaalsContact C-N 3.29Å; A473-H475 PolarHBondContact O-N 2.88Å; H475-G479 WeakPolarHBondContact O-CA 3.5Å; H475-G479 PolarHBondContact O-N 3.33Å; H475-V483 WeakPolarHBondContact NE2-CG1 3.46Å; H475-H490 AromaticContact NE2-NE2 3.67Å; H475-C495 PolarHBondContact NE2-SG 3.44Å
476E90.5Very high87.2Confident156 Ų15655 Ų5573%0.72930%0.304SS*.Hα-helixtrans-68.2-38.5176.8-65.2-178.7169.700112.2T472 A473T472-E476 PolarHBondContact O-N 3.22Å; A473-E476 PolarHBondContact O-N 3.41Å
477V89.2Confident86.8Confident65 Ų6554 Ų5439%0.39430%0.299SS..Hα-helixtrans-77-44.1-179.5169.50000112.9I339 L343 A473I339-V477 HydrophobicContact CG2-CB 4.03Å; I339-V477 HydrophobicContact CG2-CG1 4.45Å; I339-V477 HydrophobicContact CG2-CG2 3.64Å; L343-V477 HydrophobicContact CD1-CG1 4.12Å; A473-V477 WeakPolarHBondContact O-CG2 3.41Å; A473-V477 PolarHBondContact O-N 3.36Å
478L88.1Confident86.4Confident19 Ų1957.7 Ų57.710%0.09932%0.318CS..Hα-helixtrans-70.8-31.6175.4-71.4177.5000112.6L343 L474 E482 V483 L487L343-L478 HydrophobicContact CD1-CD2 4.4Å; L474-L478 HydrophobicContact CD1-CD1 3.64Å; L474-L478 HydrophobicContact CD1-CG 3.9Å; L474-L478 HydrophobicContact CG-CD1 4.05Å; L474-L478 WeakPolarHBondContact O-CB 3.3Å; L474-L478 WeakPolarHBondContact O-CG 3.41Å; L474-L478 PolarHBondContact O-N 3.31Å; L478-E482 HydrophobicContact CB-CB 4.35Å; L478-E482 HydrophobicContact CD2-CB 4.36Å; L478-E482 WeakPolarHBondContact O-CB 3.47Å; L478-V483 HydrophobicContact CB-CG2 3.73Å; L478-V483 HydrophobicContact CD1-CG2 4.28Å; L478-L487 HydrophobicContact CD1-CD2 4.19Å; L478-L487 HydrophobicContact CD1-CG 4.36Å
479G85.8Confident86Confident27 Ų2757 Ų5728%0.27833%0.329SS..Hα-helixtrans64.5174.9-176.300000114.3H475 Y481 E482 V483H475-G479 WeakPolarHBondContact O-CA 3.5Å; H475-G479 PolarHBondContact O-N 3.33Å; G479-Y481 PolarHBondContact O-N 2.93Å; G479-E482 PolarHBondContact O-N 2.86Å; G479-V483 WeakPolarHBondContact O-CB 3.34Å; G479-V483 VanDerWaalsContact O-CG2 3.22Å; G479-V483 WeakPolarHBondContact O-CG2 3.28Å; G479-V483 PolarHBondContact O-N 3.1Å
480T76.2Confident85.9Confident148 Ų14856.8 Ų56.891%0.90832%0.319SS*.Hα-helixtrans-65.2-17.6-167.354.60000115.5
481Y71.4Confident85.6Confident154 Ų15460.7 Ų60.760%0.60434%0.337SS*.Hα-helixtrans-93.5-35-178.9-172.4-107.6000113.5G479 R485G479-Y481 PolarHBondContact O-N 2.93Å; Y481-R485 VanDerWaalsContact OH-CZ 3.29Å; Y481-R485 PolarHBondContact OH-NH1 2.88Å; Y481-R485 PolarHBondContact OH-NH2 3.03Å
482E79.1Confident85.2Confident103 Ų10363.9 Ų63.948%0.48136%0.358SS..Hα-helixtrans-94.1-25.9-174.9-48.5-162.8160.100112.4L478 G479 G484 R485 S486L478-E482 HydrophobicContact CB-CB 4.35Å; L478-E482 HydrophobicContact CD2-CB 4.36Å; L478-E482 WeakPolarHBondContact O-CB 3.47Å; G479-E482 PolarHBondContact O-N 2.86Å; E482-G484 VanDerWaalsContact C-N 3.26Å; E482-G484 PolarHBondContact O-N 2.9Å; E482-R485 PolarHBondContact O-N 3.24Å; E482-S486 WeakPolarHBondContact O-CB 3.48Å; E482-S486 PolarHBondContact O-N 2.84Å; E482-S486 PolarHBondContact O-OG 2.93Å
483V81Confident84.9Confident7 Ų766.9 Ų66.94%0.04238%0.376CS..Hα-helixtrans-47.4-48.1170.7160.90000111.9H475 L478 G479 R485 L487 H490H475-V483 WeakPolarHBondContact NE2-CG1 3.46Å; L478-V483 HydrophobicContact CB-CG2 3.73Å; L478-V483 HydrophobicContact CD1-CG2 4.28Å; G479-V483 WeakPolarHBondContact O-CB 3.34Å; G479-V483 VanDerWaalsContact O-CG2 3.22Å; G479-V483 WeakPolarHBondContact O-CG2 3.28Å; G479-V483 PolarHBondContact O-N 3.1Å; V483-R485 PolarHBondContact O-N 2.88Å; V483-L487 HydrophobicContact CG1-CD1 4.01Å; V483-L487 WeakPolarHBondContact O-CB 3.21Å; V483-L487 WeakPolarHBondContact O-CG 3.39Å; V483-L487 PolarHBondContact O-N 2.84Å; V483-H490 WeakPolarHBondContact CG1-NE2 3.49Å
484G78.3Confident84.6Confident57 Ų5770.5 Ų70.559%0.58839%0.392SS*.Hα-helixtrans-76.76.1179.300000115.8E482E482-G484 VanDerWaalsContact C-N 3.26Å; E482-G484 PolarHBondContact O-N 2.9Å
485R79.8Confident84.4Confident151 Ų15170.5 Ų70.557%0.5739%0.392SS*.Hα-helixtrans-123.7-35.9179-73.1-179.6159.6-169.3-5113Y481 E482 V483Y481-R485 VanDerWaalsContact OH-CZ 3.29Å; Y481-R485 PolarHBondContact OH-NH1 2.88Å; Y481-R485 PolarHBondContact OH-NH2 3.03Å; E482-R485 PolarHBondContact O-N 3.24Å; V483-R485 PolarHBondContact O-N 2.88Å
486S83.1Confident84Confident45 Ų4571.7 Ų71.732%0.31540%0.399SS..Hα-helixtrans-91.8-12.2-175.6-56.40000113.3P392 E482P392-S486 VanDerWaalsContact CD-O 3.24Å; P392-S486 WeakPolarHBondContact CD-O 3.45Å; E482-S486 WeakPolarHBondContact O-CB 3.48Å; E482-S486 PolarHBondContact O-N 2.84Å; E482-S486 PolarHBondContact O-OG 2.93Å
487L87.8Confident83.6Confident13 Ų1365.4 Ų65.47%0.06838%0.376CS..SBendtrans-107.4130178.2-56.6-176.4000111.8H390 L391 Y471 L474 L478 V483 H490H390-L487 CarbonylContact O-C 3.47Å; H390-L487 VanDerWaalsContact O-CA 3.23Å; H390-L487 WeakPolarHBondContact O-CA 3.34Å; L391-L487 HydrophobicContact CD2-CD2 3.8Å; L391-L487 HydrophobicContact CG-CD2 3.86Å; Y471-L487 HydrophobicContact CE2-CD1 4.3Å; L474-L487 HydrophobicContact CD2-CD2 4.12Å; L478-L487 HydrophobicContact CD1-CD2 4.19Å; L478-L487 HydrophobicContact CD1-CG 4.36Å; V483-L487 HydrophobicContact CG1-CD1 4.01Å; V483-L487 WeakPolarHBondContact O-CB 3.21Å; V483-L487 WeakPolarHBondContact O-CG 3.39Å; V483-L487 PolarHBondContact O-N 2.84Å; L487-H490 HydrophobicContact CB-CB 3.8Å; L487-H490 HydrophobicContact CD1-CB 4.46Å
488I86.9Confident83.4Confident80 Ų8064.3 Ų64.341%0.4137%0.371SS..BIsolated β-bridgetrans-72.1138.2171.2-66.4-174.7000109.4G389 H390 P392 H490G389-I488 WeakPolarHBondContact CA-O 3.47Å; H390-I488 PolarHBondContact N-O 3.45Å; H390-I488 PolarHBondContact O-N 2.96Å; P392-I488 HydrophobicContact CB-CD1 3.71Å; P392-I488 HydrophobicContact CB-CG1 4.06Å; I488-H490 PolarHBondContact O-N 3.41Å; I488-H490 VanDerWaalsContact O-N 3.12Å
489G82.2Confident82.8Confident53 Ų5367.7 Ų67.755%0.54639%0.388SS..THydrogen-bonded Turntrans68.19.2171.500000115.5E491G489-E491 PolarHBondContact O-N 3.48Å
490H88.7Confident81.8Confident30 Ų3070 Ų7014%0.13941%0.413CS..  trans-64.9114.6-171.4176.7-87.6000113.3A388 H475 V483 L487 I488 C495 C498A388-H490 WeakPolarHBondContact O-CA 3.49Å; H475-H490 AromaticContact NE2-NE2 3.67Å; V483-H490 WeakPolarHBondContact CG1-NE2 3.49Å; L487-H490 HydrophobicContact CB-CB 3.8Å; L487-H490 HydrophobicContact CD1-CB 4.46Å; I488-H490 PolarHBondContact O-N 3.41Å; I488-H490 VanDerWaalsContact O-N 3.12Å; H490-C495 WeakPolarHBondContact NE2-CB 3.49Å; H490-C495 PolarHBondContact NE2-SG 2.7Å; H490-C498 VanDerWaalsContact CE1-SG 3.56Å; H490-C498 PolarHBondContact NE2-SG 2.56Å
491E86.8Confident80.8Confident82 Ų8265.6 Ų65.638%0.38340%0.396SS..  trans-113.2106.1177.9173.245.8-113.800109.6A388 G489 T493 I494 C495A388-E491 PolarHBondContact O-N 3.26Å; A388-E491 VanDerWaalsContact O-N 3.16Å; G489-E491 PolarHBondContact O-N 3.48Å; E491-T493 VanDerWaalsContact CD-OG1 3.28Å; E491-T493 WeakPolarHBondContact CG-OG1 3.42Å; E491-T493 PolarHBondContact O-N 3.31Å; E491-T493 WeakPolarHBondContact OE1-CB 3.45Å; E491-T493 WeakPolarHBondContact OE1-CG2 3.46Å; E491-T493 PolarHBondContact OE1-N 3.45Å; E491-T493 PolarHBondContact OE1-OG1 3.35Å; E491-I494 HydrophobicContact CB-CD1 4.23Å; E491-I494 HydrophobicContact CB-CG1 3.78Å; E491-I494 HydrophobicContact CG-CD1 4.38Å; E491-I494 HydrophobicContact CG-CG1 3.78Å; E491-I494 PolarHBondContact O-N 3.06Å; E491-C495 WeakPolarHBondContact O-CB 3.38Å; E491-C495 PolarHBondContact O-N 2.88Å
492P85.4Confident79.5Confident70 Ų7066.8 Ų66.846%0.45540%0.404SS..THydrogen-bonded Turntrans-57.2-22.8-174.5-23.831.3000115.1C498P492-C498 HydrophobicContact CB-CB 4.29Å; P492-C498 VanDerWaalsContact O-CB 3.3Å; P492-C498 WeakPolarHBondContact O-CB 3.31Å
493T85.6Confident77.3Confident107 Ų10766.5 Ų66.566%0.65641%0.414SS*.THydrogen-bonded Turntrans-79.7-17.3179.260.30000114.5E491E491-T493 VanDerWaalsContact CD-OG1 3.28Å; E491-T493 WeakPolarHBondContact CG-OG1 3.42Å; E491-T493 PolarHBondContact O-N 3.31Å; E491-T493 WeakPolarHBondContact OE1-CB 3.45Å; E491-T493 WeakPolarHBondContact OE1-CG2 3.46Å; E491-T493 PolarHBondContact OE1-N 3.45Å; E491-T493 PolarHBondContact OE1-OG1 3.35Å
494I87.3Confident74.8Confident94 Ų9475.7 Ų75.748%0.48245%0.453SS..THydrogen-bonded Turntrans-117.6-14.517560.8167.4000113.8A388 E491 L496 I499A388-I494 HydrophobicContact CB-CB 4.37Å; A388-I494 HydrophobicContact CB-CD1 3.74Å; A388-I494 HydrophobicContact CB-CG1 3.7Å; E491-I494 HydrophobicContact CB-CD1 4.23Å; E491-I494 HydrophobicContact CB-CG1 3.78Å; E491-I494 HydrophobicContact CG-CD1 4.38Å; E491-I494 HydrophobicContact CG-CG1 3.78Å; E491-I494 PolarHBondContact O-N 3.06Å; I494-L496 PolarHBondContact O-N 3.48Å; I494-I499 WeakPolarHBondContact O-CD1 3.4Å
495C87.6Confident72.7Confident0 Ų078 Ų780%046%0.456CS..  trans-68.2121.3179178.70000112.6Y471 H475 H490 E491 G497 C498 I499Y471-C495 PolarHBondContact OH-SG 3.08Å; H475-C495 PolarHBondContact NE2-SG 3.44Å; H490-C495 WeakPolarHBondContact NE2-CB 3.49Å; H490-C495 PolarHBondContact NE2-SG 2.7Å; E491-C495 WeakPolarHBondContact O-CB 3.38Å; E491-C495 PolarHBondContact O-N 2.88Å; C495-G497 PolarHBondContact O-N 2.85Å; C495-G497 VanDerWaalsContact O-N 3.17Å; C495-C498 HydrophobicContact CB-CB 4.23Å; C495-C498 PolarHBondContact O-N 2.54Å; C495-I499 WeakPolarHBondContact O-CG1 3.3Å; C495-I499 PolarHBondContact O-N 2.68Å
496L83.1Confident70.3Confident45 Ų4576.4 Ų76.424%0.23647%0.465CS..THydrogen-bonded Turntrans-62.9-20.1180-67.3-174.2000115.2Q385 R442 I494Q385-L496 HydrophobicContact CG-CD1 3.96Å; R442-L496 PolarHBondContact NH2-O 2.81Å; I494-L496 PolarHBondContact O-N 3.48Å
497G81.2Confident67.7Low24 Ų2479.4 Ų79.425%0.24749%0.486CS..THydrogen-bonded Turntrans-81.2-21.4172.400000113.4C495C495-G497 PolarHBondContact O-N 2.85Å; C495-G497 VanDerWaalsContact O-N 3.17Å
498C85.3Confident65.1Low41 Ų4184.4 Ų84.428%0.27752%0.522SS..THydrogen-bonded Turntrans-92.9-38.5174.3-66.90000112.4H490 P492 C495 G500 G501H490-C498 VanDerWaalsContact CE1-SG 3.56Å; H490-C498 PolarHBondContact NE2-SG 2.56Å; P492-C498 HydrophobicContact CB-CB 4.29Å; P492-C498 VanDerWaalsContact O-CB 3.3Å; P492-C498 WeakPolarHBondContact O-CB 3.31Å; C495-C498 HydrophobicContact CB-CB 4.23Å; C495-C498 PolarHBondContact O-N 2.54Å; C498-G500 PolarHBondContact O-N 3.05Å; C498-G501 PolarHBondContact O-N 3.39Å
499I76.7Confident62.4Low90 Ų9087.1 Ų87.146%0.46254%0.542SS..THydrogen-bonded Turntrans-68.898.2178.4-59.4162.6000109.8I494 C495I494-I499 WeakPolarHBondContact O-CD1 3.4Å; C495-I499 WeakPolarHBondContact O-CG1 3.3Å; C495-I499 PolarHBondContact O-N 2.68Å
500G63.1Low60.2Low77 Ų7790 Ų9079%0.79455%0.554SS**THydrogen-bonded Turntrans120.6-18.9-177.500000113.4C498 K502C498-G500 PolarHBondContact O-N 3.05Å; G500-K502 PolarHBondContact O-N 3.46Å
501G56.5Low57.5Low54 Ų5493.5 Ų93.556%0.55758%0.582SS**SBendtrans-61124.7168.200000110.3C498 S503C498-G501 PolarHBondContact O-N 3.39Å; G501-S503 PolarHBondContact O-N 3.31Å; G501-S503 VanDerWaalsContact O-N 3.11Å
502K44.4Very low54.9Low179 Ų17996.8 Ų96.878%0.77860%0.603SS**  trans-62.5117.5-178.5-74.7-179.1179.9172.80110.1G500 F504G500-K502 PolarHBondContact O-N 3.46Å; K502-F504 PolarHBondContact O-N 3.07Å; K502-F504 VanDerWaalsContact O-N 3.11Å
503S31.9Very low52.4Low98 Ų9898 Ų9869%0.68561%0.613SS**  trans-50.8114-173.4-177.80000113.1G501 V505G501-S503 PolarHBondContact O-N 3.31Å; G501-S503 VanDerWaalsContact O-N 3.11Å; S503-V505 WeakPolarHBondContact OG-CG2 3.34Å; S503-V505 PolarHBondContact OG-N 2.75Å
504F29.7Very low49.8Very low199 Ų199102.1 Ų102.187%0.87362%0.621SS**  trans-103.944.4163.6-95.7-82.2000110.5K502 P506K502-F504 PolarHBondContact O-N 3.07Å; K502-F504 VanDerWaalsContact O-N 3.11Å; F504-P506 VanDerWaalsContact O-CD 3.26Å; F504-P506 WeakPolarHBondContact O-CD 3.34Å
505V33.8Very low46.9Very low107 Ų107103.2 Ų103.265%0.64863%0.632SS**  trans-73.6117.6166.3174.40000108.7S503 S507S503-V505 WeakPolarHBondContact OG-CG2 3.34Å; S503-V505 PolarHBondContact OG-N 2.75Å; V505-S507 PolarHBondContact O-N 3.47Å
506P28.3Very low44.1Very low117 Ų117111.2 Ų111.276%0.7667%0.67SS**  trans-72.598.9168.330.1-31.9000108.6F504 S508F504-P506 VanDerWaalsContact O-CD 3.26Å; F504-P506 WeakPolarHBondContact O-CD 3.34Å; P506-S508 PolarHBondContact O-N 2.94Å
507S28.8Very low41.3Very low107 Ų107114 Ų11475%0.74869%0.693SS**  trans-65.5117.7-174.640.70000112.5V505V505-S507 PolarHBondContact O-N 3.47Å
508S32.7Very low38.6Very low118 Ų118118 Ų11883%0.82572%0.715SS**  trans-123.8110164.545.20000108.5P506P506-S508 PolarHBondContact O-N 2.94Å
509T31.3Very low35.6Very low137 Ų137123.1 Ų123.184%0.8474%0.739SS**  trans-127.1125-173.343.70000111.9
510S35.1Very low33.4Very low113 Ų113126.3 Ų126.379%0.7976%0.756SS**  trans-154.6134.2158.956.40000108.6
511S33.2Very low31.5Very low104 Ų104128.5 Ų128.573%0.72775%0.749SS**  cis-176143.3-5.742.60000108.3
512D31.7Very low30.1Very low152 Ų152132.8 Ų132.881%0.81376%0.755SS**  -171.8153.5116.4-127.7-38.4000116.7
513S32.3Very low29.2Very low95 Ų95132.1 Ų132.166%0.66475%0.752SS**  trans72.3117.9153.876.60000122.5
514K31.3Very low29Very low194 Ų194131.7 Ų131.784%0.84375%0.754SS**  trans90.4105.2137.2-76.5178.2178.9177.90122.7
515V27.9Very low28.7Very low117 Ų117130.5 Ų130.571%0.70975%0.749SS**  trans111.3121.5131.5174.70000118.2
516E27.5Very low28.4Very low168 Ų168131.5 Ų131.579%0.78576%0.755SS**  trans52.2101.2159.2-71.9159.8-176.800118.7
517S25.4Very low28.2Very low104 Ų104132.8 Ų132.873%0.72775%0.751SS**  74.5129.475.773.10000113.8
518C23.1Very low28Very low106 Ų106133.3 Ų133.372%0.71675%0.752SS**  cis-127147.922.4-84.20000112.1
519L23.9Very low27.7Very low149 Ų149133.6 Ų133.678%0.7875%0.748SS**  49.6132.789.1-49.7171.2000113.1
520I29Very low27.4Very low158 Ų158132.2 Ų132.281%0.8174%0.744SS**  cis-138.4155.435.1-62.1169.9000112.9
521N24.8Very low27Very low123 Ų123132.8 Ų132.866%0.65875%0.748SS**  trans-32.8167.8159.6-69.8-46.5000117
522E26.8Very low26.6Very low144 Ų144133.2 Ų133.267%0.67375%0.751SS**  cis-158.8160.733.7-154.4151.1175.500118.1
523K25.6Very low26.4Very low164 Ų164131.2 Ų131.271%0.71375%0.749SS**  trans-26.2161.1163.2-47.6150.5-161.5159.60116.6
524A26.8Very low26.4Very low89 Ų89132.4 Ų132.474%0.73675%0.752SS**  cis-149.9156.84.200000108
525K24.1Very low26.5Very low175 Ų175125.7 Ų125.776%0.76174%0.738SS**  cis70.6137.945.2-154.2-174.5179.4-177.40115.7
526V25.9Very low26.7Very low128 Ų128128.1 Ų128.178%0.77675%0.746SS**  trans93.4128.5171.5-176.30000114.8
527Q25.6Very low26.9Very low143 Ų143126.5 Ų126.567%0.66874%0.737SS**  cis-166.9167.7-40-112.2158.3-116.700109.6
528P25Very low27.4Very low119 Ų119126.5 Ų126.577%0.77374%0.737SS**  trans-97.4164.4-166.938.3-36.1000115.5
529V25.3Very low28Very low124 Ų124129.5 Ų129.575%0.75274%0.738SS**  trans-139.5148.5166.2-150.60000111.4
530S25Very low28.5Very low107 Ų107131.4 Ų131.475%0.74874%0.74SS**  trans-66147.2-168.653.80000117.9
531S26.7Very low28.7Very low126 Ų126127.8 Ų127.888%0.88173%0.729SS**  -151.1155.4129.258.10000111.2
532S25.5Very low29.1Very low112 Ų112126 Ų12678%0.78373%0.726SS**  trans-86.7137.4-162.252.50000115.9
533S27.5Very low29.4Very low111 Ų111122.7 Ų122.778%0.77672%0.723SS**  trans172.1169.313247.20000112.3
534V32.3Very low30Very low120 Ų120121.6 Ų121.673%0.72772%0.724SS**  trans69.5132179.5-164.60000114.4
535G32.8Very low30.5Very low53 Ų53126.7 Ų126.755%0.54673%0.73SS.*  cis-172.689.1-3.400000114.8F537G535-F537 PolarHBondContact O-N 2.96Å; G535-F537 VanDerWaalsContact O-N 3.08Å
536L31.6Very low30.8Very low167 Ų167125.3 Ų125.387%0.87473%0.731SS**  trans43.944.1141.3-67.1171.2000121.5
537F32.9Very low31Very low134 Ų134125.9 Ų125.959%0.58873%0.734SS**  trans-127.13.1160.9-94-71.1000116.1G535 K539 P786G535-F537 PolarHBondContact O-N 2.96Å; G535-F537 VanDerWaalsContact O-N 3.08Å; F537-K539 PolarHBondContact O-N 3.24Å; F537-P786 HydrophobicContact CE2-CG 3.54Å; F537-P786 VanDerWaalsContact CZ-CD 3.46Å; F537-P786 HydrophobicContact CZ-CG 3.9Å
538S35.5Very low31.1Very low104 Ų104122 Ų12273%0.72773%0.732SS**SBendtrans-95.825.6-174.952.80000115.3
539K36.6Very low31.3Very low170 Ų170128.1 Ų128.174%0.73974%0.74SS**SBendtrans-134.92.7-172.6-82.1-161.4170.2-167.90118.3F537F537-K539 PolarHBondContact O-N 3.24Å
540F33.4Very low31.5Very low188 Ų188127 Ų12783%0.82574%0.738SS**SBendtrans-116.2-15.7174.3-71.6-73.3000114.3S542F540-S542 PolarHBondContact O-N 3.23Å; F540-S542 VanDerWaalsContact O-N 3.09Å
541S34.2Very low31.7Very low83 Ų83130.3 Ų130.358%0.5875%0.746SS**THydrogen-bonded Turntrans-80.625.5177.238.40000114.4
542S32.2Very low31.9Very low86 Ų86130.6 Ų130.660%0.60174%0.738SS**THydrogen-bonded Turntrans-14620.8-177.165.40000114.2F540F540-S542 PolarHBondContact O-N 3.23Å; F540-S542 VanDerWaalsContact O-N 3.09Å
543A33.9Very low32.3Very low74 Ų74133.9 Ų133.961%0.61274%0.741SS**SBendtrans-121-12.3-172.900000115.8
544I37Very low32.6Very low141 Ų141135.6 Ų135.672%0.72375%0.746SS**SBendtrans-123.2-11.5-175.3-66.2179.5000113.2
545F37.9Very low32.7Very low196 Ų196134.5 Ų134.586%0.8674%0.741SS**SBendtrans-105.124.4-179.6-75.2-76.7000114.5
546N29.3Very low32.6Very low146 Ų146141.3 Ų141.378%0.78176%0.756SS**  trans-140.233.4-175.3-96.4-20.3000114.3
547T30.7Very low32.6Very low140 Ų140140 Ų14086%0.85975%0.749SS**  trans-100.171168.842.90000109.9
548G27.8Very low32.6Very low60 Ų60140.2 Ų140.262%0.61976%0.756SS**  trans-167.640.3-166.400000117.7
549R30.1Very low32.4Very low248 Ų248143.2 Ų143.294%0.93676%0.756SS**SBendtrans175135.3148.7-98.2150-169.6-165.61.7113.6
550S27.9Very low32.1Very low101 Ų101142.2 Ų142.271%0.70676%0.757SS**  trans53.1112.1150.9-167.20000119.3
551L31Very low32.1Very low176 Ų176138.4 Ų138.492%0.92176%0.755SS**  trans-146.9114.3131.2-156.375.5000110.6
552D30.5Very low32Very low132 Ų132137.8 Ų137.871%0.70676%0.761SS**  trans-74.4170.1170.8-85.7-64.8000112.4
553Q33.2Very low32.2Very low182 Ų182140.2 Ų140.285%0.8577%0.772SS**  trans81.7102166.9-47.3172.830.700117.5
554V33.5Very low32.3Very low147 Ų147141.8 Ų141.889%0.89178%0.779SS**  -151.5136.7105.5177.50000108.2
555P33.8Very low32.1Very low96 Ų96140.1 Ų140.162%0.62378%0.779SS**  trans-115166.3-169.942.2-35.6000116.7
556K30.8Very low32Very low196 Ų196139.2 Ų139.285%0.85278%0.78SS**  trans77.4139.2167.9-58163.7-176.1173.70114.2
557L31.7Very low32.6Very low141 Ų141137 Ų13774%0.73877%0.773SS**  -167.7117.454.9-17378.3000114.7
558L33.8Very low32.8Very low138 Ų138136.3 Ų136.372%0.72377%0.769SS**  trans61.8149151-56.7174.9000118.8
559K31.5Very low33.1Very low167 Ų167139.6 Ų139.673%0.72678%0.777SS**  cis-168.1134.615.9-132.4165.9-175.2-178.50115.1
560L30.9Very low33.2Very low148 Ų148132.2 Ų132.278%0.77576%0.764SS**  trans68116.5137.4-111.771.2000125.4
561S33.3Very low33.6Very low109 Ų109133.8 Ų133.876%0.76276%0.763SS**  63.4140.8129.361.60000123.3
562G32.2Very low33.7Very low70 Ų70133.9 Ų133.972%0.72276%0.756SS**  cis145.3170.4-11.700000117
563V35.8Very low33.6Very low137 Ų137132.8 Ų132.883%0.8375%0.754SS**  trans103.4124.4150.2-177.90000122.7
564S35.4Very low33.7Very low107 Ų107131.5 Ų131.575%0.74875%0.748SS**  trans78.7153.315274.20000121.1
565S33.7Very low33.7Very low105 Ų105131.5 Ų131.573%0.73474%0.741SS**  cis178.6170.3-18.658.40000109.6
566M36.4Very low33.5Very low177 Ų177132.6 Ų132.687%0.87275%0.747SS**  cis-167.1161.5-22.7-98.9-76.1119.500109.3
567P40.5Very low33.7Very low99 Ų99129.4 Ų129.464%0.64375%0.746SS**  trans-111.2-171.2-17542.5-34.3000114.6
568T35.2Very low33.5Very low126 Ų126127.9 Ų127.977%0.77374%0.742SS**  trans-177.8135.6147.421.30000118.2
569T33.2Very low33.4Very low129 Ų129132.5 Ų132.579%0.79175%0.752SS**  trans64.3154.6141.159.60000124.3
570S33.2Very low33.5Very low93 Ų93132.7 Ų132.765%0.6576%0.755SS**  cis-177.5168.2-24.965.50000115.5
571I35.5Very low33.8Very low135 Ų135130.6 Ų130.669%0.69275%0.751SS**  trans91.3110.8143.2-79.9166.1000123.9
572K32.7Very low33.7Very low178 Ų178132.3 Ų132.377%0.77476%0.756SS**  trans54.7154.9136.2-52178-174.8174.20120.9
573T29.1Very low33.5Very low109 Ų109137.6 Ų137.667%0.66976%0.762SS**  cis-161.9-1657.6-3.30000109.3
574H34.7Very low33.3Very low154 Ų154138.8 Ų138.871%0.71376%0.764SS**  cis-167.4158.14.9-121.4-38.7000112.7
575I34.6Very low33.1Very low148 Ų148141.5 Ų141.576%0.75976%0.762SS**  trans74.5143145.4-66.9164000122.5
576T29.6Very low32.7Very low119 Ų119144.5 Ų144.573%0.7377%0.765SS**  trans-124.1173.9-179.9-23.20000111.6
577P35.2Very low32.5Very low128 Ų128142.8 Ų142.883%0.83176%0.764SS**  -148.5-175.111138.7-21.3000116.4
578T27Very low32Very low109 Ų109148.2 Ų148.267%0.66978%0.778SS**  trans-114.4154.4-155.8-45.50000115
579Y32.5Very low31.7Very low236 Ų236151.4 Ų151.493%0.92578%0.781SS**  trans-136157.5148.7-95.5-83.4000110.9
580Q33.3Very low31.7Very low170 Ų170151.1 Ų151.179%0.79478%0.781SS**  trans-146.4177.4-166.3-123.6-160.610.300112
581P36.2Very low31.9Very low105 Ų105153.6 Ų153.668%0.68279%0.792SS**  -123.1-178.9-11542.1-26.8000115.4
582V31.4Very low32Very low145 Ų145151.2 Ų151.288%0.87979%0.793SS**  trans-126.7144.5164.6-179.70000109.7
583Q29.1Very low32.5Very low181 Ų181147.5 Ų147.585%0.84678%0.775SS**  trans-87.2146.4-174-59.9169.4-13.200112.5
584N30.3Very low33.1Very low161 Ų161152.7 Ų152.786%0.86178%0.782SS**  trans-154.5171.4139.8-131.5-32.9000113
585K31Very low33.1Very low164 Ų164153.1 Ų153.171%0.71379%0.789SS**  trans-81.9150.2-157-74.3176.9163.4-162.20117.5
586E26.3Very low33.4Very low169 Ų169149.2 Ų149.279%0.7977%0.772SS**  trans4592.4136.3-59.7172.2117.500118.7
587T31.1Very low33.7Very low141 Ų141148.3 Ų148.387%0.86577%0.771SS**  trans-126.8129.814736.60000109.2
588K31.3Very low33.9Very low213 Ų213145.4 Ų145.493%0.92675%0.754SS**PPolyproline II helixtrans-72.3129.4174.1-70.7-179.5178.9177.70108.6
589K29.2Very low34.9Very low193 Ų193143.8 Ų143.884%0.83974%0.744SS**PPolyproline II helixtrans-67.4141.6168.5-66-176.8177.9-177.30109.2
590P33.2Very low35.3Very low123 Ų123135.1 Ų135.180%0.79971%0.711SS**PPolyproline II helixtrans-62147.6171.427.5-34.2000110.2A592P590-A592 PolarHBondContact O-N 2.94Å
591V36.1Very low35.6Very low144 Ų144130.4 Ų130.487%0.87370%0.697SS**PPolyproline II helixtrans-74.4125.5178.7-179.80000108.6
592A37.4Very low35.6Very low86 Ų86130.9 Ų130.971%0.71169%0.692SS**PPolyproline II helixtrans-69144.9179.100000111.4P590P590-A592 PolarHBondContact O-N 2.94Å
593Y43.2Very low36.1Very low100 Ų100130.9 Ų130.939%0.39269%0.687SS.*PPolyproline II helixtrans-57.5139.8175.3-170.4-103.6000111Y386 F396 T596Y386-Y593 HydrophobicContact CD1-CE2 4.31Å; Y386-Y593 AromaticContact CE1-CE2 3.8Å; Y386-Y593 HydrophobicContact CE1-CE2 3.8Å; F396-Y593 HydrophobicContact CD1-CE2 4.26Å; Y593-T596 HydrophobicContact CE1-CG2 4.36Å; Y593-T596 PolarHBondContact OH-OG1 3.33Å
594R42.6Very low36.3Very low217 Ų217128.8 Ų128.882%0.81968%0.682SS**  trans-97.8112.5-176.1-168.4178.4-168.7172.82.7108.8T596R594-T596 PolarHBondContact O-N 2.71Å
595N34.1Very low36.5Very low163 Ų163128.4 Ų128.487%0.87268%0.68SS**  trans-35104.3-174-7013000114.2
596T41.4Very low36.8Very low66 Ų66130.3 Ų130.341%0.40568%0.684SS.*PPolyproline II helixtrans-86.4152.4149.661.80000108Y593 R594Y593-T596 HydrophobicContact CE1-CG2 4.36Å; Y593-T596 PolarHBondContact OH-OG1 3.33Å; R594-T596 PolarHBondContact O-N 2.71Å
597S35.9Very low37.2Very low100 Ų100129 Ų12970%0.69968%0.683SS**PPolyproline II helixtrans-62.9156.9163.640.10000110.3
598S39.6Very low37.5Very low68 Ų68132.3 Ų132.348%0.47669%0.688SS.*PPolyproline II helixtrans-67.8131.9171.3-177.20000109F600 S601S598-F600 PolarHBondContact O-N 2.94Å; S598-F600 PolarHBondContact OG-N 3.13Å; S598-S601 PolarHBondContact O-N 3.44Å; S598-S601 PolarHBondContact O-OG 3.25Å
599V47.1Very low37.7Very low75 Ų75129.5 Ų129.546%0.45568%0.683SS.*THydrogen-bonded Turntrans-62.8-9.5170.2-179.60000111.6
600F41.1Very low38Very low54 Ų54126.9 Ų126.924%0.23768%0.678CS.*THydrogen-bonded Turntrans-110.68.8-178-45.3-76.7000114F395 T419 S423 V431 S598 I602F395-F600 HydrophobicContact CD2-CE2 4.19Å; F395-F600 HydrophobicContact CD2-CZ 4.4Å; F395-F600 HydrophobicContact CE2-CE2 4.26Å; T419-F600 HydrophobicContact CG2-CB 4.34Å; T419-F600 HydrophobicContact CG2-CD1 3.63Å; T419-F600 HydrophobicContact CG2-CD2 3.66Å; T419-F600 HydrophobicContact CG2-CE1 3.68Å; T419-F600 HydrophobicContact CG2-CE2 3.73Å; T419-F600 HydrophobicContact CG2-CG 3.6Å; T419-F600 HydrophobicContact CG2-CZ 3.74Å; S423-F600 WeakPolarHBondContact OG-CD1 3.27Å; S423-F600 WeakPolarHBondContact OG-CE1 3.38Å; V431-F600 HydrophobicContact CG2-CD1 4.23Å; V431-F600 HydrophobicContact CG2-CE1 3.73Å; S598-F600 PolarHBondContact O-N 2.94Å; S598-F600 PolarHBondContact OG-N 3.13Å; F600-I602 PolarHBondContact O-N 3.43Å
601S40.6Very low38.1Very low71 Ų71128 Ų12850%0.49768%0.677SS.*  trans-80.7106.2167.553.70000109.5S598S598-S601 PolarHBondContact O-N 3.44Å; S598-S601 PolarHBondContact O-OG 3.25Å
602I36.6Very low38Very low114 Ų114125.7 Ų125.759%0.58567%0.666SS**  trans-77140.7158.4-62.2173.2000106.5F600 D604F600-I602 PolarHBondContact O-N 3.43Å; I602-D604 WeakPolarHBondContact CG2-OD1 3.36Å; I602-D604 PolarHBondContact O-N 3.13Å
603D40.4Very low37.9Very low145 Ų145129.9 Ų129.978%0.77567%0.671SS**  trans-75.976.6173.8-66.5-34.5000109.4D605D603-D605 PolarHBondContact O-N 3.4Å; D603-D605 VanDerWaalsContact O-N 3.09Å
604D33.2Very low37.3Very low137 Ų137132.3 Ų132.373%0.73369%0.691SS**  trans-79.937.3176.3-71.8-36.8000112.3I602 Y606I602-D604 WeakPolarHBondContact CG2-OD1 3.36Å; I602-D604 PolarHBondContact O-N 3.13Å; D604-Y606 PolarHBondContact O-N 3.12Å
605D35.6Very low36.9Very low153 Ų153131.7 Ų131.782%0.81870%0.697SS**  trans-90.287.7178.2-79.4-22000110.9D603D603-D605 PolarHBondContact O-N 3.4Å; D603-D605 VanDerWaalsContact O-N 3.09Å
606Y37.2Very low36.8Very low204 Ų204128.4 Ų128.480%0.869%0.692SS**  trans-121.7119.3162.7-85.4-86.6000110.8D604D604-Y606 PolarHBondContact O-N 3.12Å
607D35.2Very low36.3Very low143 Ų143134.8 Ų134.877%0.76572%0.718SS**  trans50.184.8151-50.1-24000119.7
608E37.1Very low35.9Very low209 Ų209135.5 Ų135.598%0.97772%0.718SS**  trans-147.8100.1134.9-78.5-151.2148.800110.8
609D34.9Very low35.6Very low155 Ų155140.4 Ų140.483%0.82974%0.737SS**  trans-88.8133173.1-88.4-45.7000112.3
610D35.8Very low34.6Very low137 Ų137141.9 Ų141.973%0.73375%0.746SS**  170119.2128.9-94.9-24.5000109.4
611L35.5Very low34.1Very low148 Ų148147 Ų14778%0.77578%0.776SS**  64.314273.5-62-171.6000113.7
612C33.3Very low33.7Very low94 Ų94148.5 Ų148.564%0.63579%0.787SS**  cis-154.2-173.7-2.1-140.80000107.4
613E34.9Very low33.6Very low175 Ų175149 Ų14982%0.81880%0.797SS**  cis-157.1166.28-157.1145.7-83.100109.2
614D32Very low33Very low151 Ų151148.8 Ų148.881%0.80780%0.796SS**  trans-86168.6176.6-68.1-67.7000114.2
615E32.8Very low33.1Very low204 Ų204150.8 Ų150.895%0.95380%0.801SS**  trans-124.6149.3148.2-79.6-159.7147.300110.7
616A32.1Very low32.8Very low93 Ų93148.8 Ų148.877%0.76979%0.794SS**  trans-126.7167.4-163.700000113.2
617E32.2Very low32.5Very low200 Ų200146.4 Ų146.494%0.93579%0.791SS**  trans-152.6165.9147-124.8175.7-152.900112.5
618T27.8Very low32.4Very low115 Ų115146 Ų14671%0.70678%0.782SS**  trans-132.3150.1-161.9-59.80000111.7
619I31.5Very low32Very low172 Ų172142.5 Ų142.588%0.88277%0.766SS**  trans-162.2147147.9-103.8146.8000111.1
620T27Very low31.8Very low105 Ų105139.4 Ų139.464%0.64475%0.752SS**  trans-106160.6-176.456.20000112.8
621N31Very low31.5Very low161 Ų161140.1 Ų140.186%0.86175%0.749SS**  173.8158.1124.6-83.3-16.8000113.3
622S30.5Very low31.1Very low104 Ų104140.4 Ų140.473%0.72775%0.751SS**  trans-156.4151.5177.7176.50000109.5
623P35.4Very low30.8Very low124 Ų124139.4 Ų139.481%0.80575%0.749SS**  -150.6165128.536.8-19.1000118.5
624N28.7Very low30.3Very low141 Ų141137.3 Ų137.375%0.75475%0.749SS**  trans-64.4165.7-177.6-49.5-45.2000118.7
625H33.5Very low29.9Very low179 Ų179137.5 Ų137.583%0.82975%0.749SS**  trans-161.4118.6134.5-92.5-65.5000108.4
626T30Very low29.6Very low111 Ų111132.1 Ų132.168%0.68173%0.734SS**  54.5130.381.163.10000114.1
627E31.9Very low29.3Very low154 Ų154134.5 Ų134.572%0.7273%0.729SS**  cis-162.1-171.116.9-115.7-175.2155.800109
628K32.5Very low29Very low135 Ų135132.4 Ų132.459%0.58772%0.719SS**  cis-159.3146.24.8-127.4-177.3174.875.60109.2
629E28.6Very low28.9Very low135 Ų135130.3 Ų130.363%0.63171%0.709SS**  53.3145.7109.2-69.7-158.711600120.6
630T29.8Very low28.7Very low89 Ų89128.7 Ų128.755%0.54671%0.708SS.*  cis-166.8163.94.717.10000117
631K30.9Very low28.8Very low152 Ų152133.9 Ų133.966%0.66172%0.716SS**  trans67.9116.1143.1-73.1152.8-164.3144.30119.3
632N26.1Very low28.4Very low155 Ų155133.4 Ų133.483%0.82971%0.713SS**  88.4146.179.1-72.511.2000113.8
633A26.4Very low28.3Very low72 Ų72134.5 Ų134.560%0.59570%0.704SS**  cis-173.1165.5-18.500000110.2
634T25.7Very low27.9Very low132 Ų132137.8 Ų137.881%0.8170%0.701SS**  trans59.9154.8156470000120.5
635L24.2Very low27.7Very low155 Ų155139.2 Ų139.281%0.81270%0.7SS**  cis-171.5158.1-31-136173.6000107.3
636S25Very low27.3Very low90 Ų90136.9 Ų136.963%0.62969%0.692SS**  trans69.7151163.9148.30000117.5
637E26.2Very low27.2Very low144 Ų144141.2 Ų141.267%0.67370%0.702SS**  cis-162.8169.2-11-110.6170.7111.800115.1
638Q25.9Very low26.9Very low155 Ų155137.7 Ų137.772%0.72470%0.699SS**  trans51.987.9146.1-65-178.141.900123.4
639S26Very low26.6Very low71 Ų71136.3 Ų136.350%0.49771%0.707SS.*  40.6145.111068.50000125.7
640T28.2Very low26.6Very low139 Ų139134.8 Ų134.885%0.85371%0.707SS**  trans88.5131.8153.176.20000120.9
641W27.5Very low26.5Very low214 Ų214139.1 Ų139.181%0.81172%0.721SS**  trans167130.6140.6168.3-83.9000110.5K643W641-K643 VanDerWaalsContact CE2-NZ 3.27Å; W641-K643 VanDerWaalsContact CH2-NZ 3.34Å; W641-K643 HydrophobicContact CZ2-CD 4.24Å
642L23.1Very low26.3Very low151 Ų151138.3 Ų138.379%0.79173%0.728SS**  trans-83.6157.6178.8-61.785.8000112.4
643K28Very low26.3Very low127 Ų127136.9 Ų136.955%0.55273%0.725SS**  trans149.3149.8153.8-80145.1-156.5161.80109.2W641W641-K643 VanDerWaalsContact CE2-NZ 3.27Å; W641-K643 VanDerWaalsContact CH2-NZ 3.34Å; W641-K643 HydrophobicContact CZ2-CD 4.24Å
644R26.8Very low26.7Very low193 Ų193138.6 Ų138.673%0.72873%0.73SS**  cis-168.3149.1-4.8-112168.3178.8160.2-3.3111
645F24.5Very low26.7Very low171 Ų171138.5 Ų138.575%0.7573%0.725SS**  trans68.5161.8145.8-78.4-142.7000118.6
646I26.8Very low27.1Very low129 Ų129139.6 Ų139.666%0.66273%0.728SS**  cis155.9154.3-29.4-93.8165.5000108.3
647K26.5Very low27.2Very low202 Ų202143.2 Ų143.288%0.87874%0.74SS**  trans82.6149.6165.3-99175.3-177.5-177.40117.3
648A26.4Very low27.2Very low81 Ų81139.8 Ų139.867%0.66974%0.743SS**  cis-154.4155.93.700000115.9
649S26Very low27.2Very low106 Ų106139.3 Ų139.374%0.74175%0.746SS**  trans74154.9139.9-135.40000118.9
650T28.2Very low27.3Very low103 Ų103145.4 Ų145.463%0.63276%0.764SS**  cis-153.4133.614.4-43.60000113
651Q27.6Very low27.5Very low180 Ų180144.4 Ų144.484%0.84176%0.76SS**  trans44.9154.1150.4-61.9165.7-2500120
652V26.8Very low27.6Very low134 Ų134139.1 Ų139.181%0.81276%0.756SS**  cis-143.9156.838171.70000111.7
653T27.5Very low28.1Very low125 Ų125139 Ų13977%0.76774%0.744SS**  trans-137.3175.7170.256.80000107.8
654P33.9Very low28.5Very low109 Ų109140.4 Ų140.471%0.70876%0.757SS**  cis-119.9-146.6-0.936.3-13.7000109.8
655D26.2Very low29.3Very low130 Ų130136.2 Ų136.270%0.69575%0.749SS**  cis-159.61704.3-137-34.8000112.4
656M32.3Very low30.8Very low178 Ų178129.1 Ų129.188%0.87772%0.724SS**  trans154.9118.9146.8-87.5-66.2165.600111.9
657D26.6Very low32.3Very low165 Ų165123.2 Ų123.288%0.88269%0.694SS**  trans-80.1154.8171.3-79-52.1000112.7
658G27.3Very low33.9Very low72 Ų72115.4 Ų115.474%0.74266%0.661SS**  trans-172.9123.817300000111
659D25.9Very low35.5Very low145 Ų145113.5 Ų113.578%0.77564%0.644SS**  trans-59.5154.8-171.5-64.9-73.1000115
660F28.3Very low37.4Very low199 Ų199109.5 Ų109.587%0.87362%0.615SS**  179.6158.8116.5-85.7-53000109.9
661P30.4Very low39.2Very low118 Ų118109.7 Ų109.777%0.76661%0.609SS**  trans-86135.8-133.430.6-36.8000115.5R663P661-R663 PolarHBondContact O-N 3.41Å
662S29.6Very low41.2Very low104 Ų104104.6 Ų104.673%0.72759%0.59SS**  trans-72.4111.6159.553.80000110.3I664S662-I664 PolarHBondContact O-N 3.46Å
663R34.8Very low43.2Very low147 Ų147100.5 Ų100.556%0.55558%0.575SS**  trans-60.8133.5152.6-74.4-174.7-179.7172.20.2107.8P661 D665 E671P661-R663 PolarHBondContact O-N 3.41Å; R663-D665 VanDerWaalsContact C-N 3.29Å; R663-E671 IonicContact CZ-OE1 2.79Å; R663-E671 VanDerWaalsContact CZ-OE1 3.28Å; R663-E671 IonicContact NH1-OE1 2.65Å; R663-E671 PolarHBondContact NH1-OE1 2.93Å; R663-E671 IonicContact NH2-OE1 2.63Å; R663-E671 PolarHBondContact NH2-OE1 3.09Å
664I37Very low45.3Very low158 Ų15897.4 Ų97.481%0.8155%0.554SS**  trans-86.6-6.8-171.7-67.6175.2000111.5S662S662-I664 PolarHBondContact O-N 3.46Å
665D43.4Very low47.2Very low104 Ų10497.8 Ų97.856%0.55655%0.549SS*.SBendtrans-69.8161.6179.4-62.5-66.9000114.4R663 S669 R684R663-D665 VanDerWaalsContact C-N 3.29Å; D665-S669 VanDerWaalsContact CB-OG 3.3Å; D665-S669 WeakPolarHBondContact CB-OG 3.1Å; D665-R684 PolarHBondContact O-NH1 2.88Å
666G54.3Low49.4Very low23 Ų2392.5 Ų92.524%0.23752%0.521CS..  trans-68.8167.6-179.800000112.9D668 S669 E686G666-D668 PolarHBondContact O-N 2.99Å; G666-S669 PolarHBondContact O-N 3.2Å; G666-S669 PolarHBondContact O-OG 3.45Å; G666-S669 VanDerWaalsContact O-OG 3.11Å; G666-E686 VanDerWaalsContact CA-OE1 3.28Å; G666-E686 WeakPolarHBondContact CA-OE1 3.18Å; G666-E686 WeakPolarHBondContact CA-OE2 3.01Å
667M59.9Low51.5Low4 Ų485.3 Ų85.32%0.0249%0.486CS..G310 helixtrans-60.5-17.1-178.1-145.2167.857.400113.6S669 C670 W681 E686 V687 V709 A711 I716M667-S669 PolarHBondContact O-N 3.08Å; M667-C670 PolarHBondContact O-N 3.42Å; M667-W681 HydrophobicContact SD-CE3 3.75Å; M667-W681 HydrophobicContact SD-CZ3 4.37Å; M667-E686 PolarHBondContact N-OE2 2.85Å; M667-V687 HydrophobicContact CE-CB 4.35Å; M667-V687 HydrophobicContact CE-CG2 3.6Å; M667-V687 HydrophobicContact SD-CG2 3.86Å; M667-V709 HydrophobicContact CE-CG1 3.49Å; M667-V709 VanDerWaalsContact CE-CG1 3.49Å; M667-V709 HydrophobicContact SD-CG1 4.3Å; M667-A711 HydrophobicContact CE-CB 3.76Å; M667-I716 HydrophobicContact CB-CD1 4.28Å; M667-I716 HydrophobicContact CE-CD1 4.18Å; M667-I716 HydrophobicContact CG-CD1 3.75Å; M667-I716 WeakPolarHBondContact O-CD1 3.38Å
668D58.9Low53.5Low38 Ų3878 Ų7820%0.20345%0.447CS..G310 helixtrans-60.6-18.5168-73.7-20.2000114.1G666 R713 H714G666-D668 PolarHBondContact O-N 2.99Å; D668-R713 PolarHBondContact OD1-N 3.49Å; D668-R713 IonicContact OD2-CZ 2.73Å; D668-R713 IonicContact OD2-NE 2.61Å; D668-R713 PolarHBondContact OD2-NE 3.01Å; D668-R713 IonicContact OD2-NH2 3.81Å; D668-R713 PolarHBondContact OD2-NH2 3.45Å; D668-H714 WeakPolarHBondContact CB-ND1 3.35Å; D668-H714 IonicContact OD1-CE1 2.7Å; D668-H714 IonicContact OD1-CG 3.33Å; D668-H714 PolarHBondContact OD1-N 3.49Å; D668-H714 IonicContact OD1-ND1 2.67Å; D668-H714 PolarHBondContact OD1-ND1 2.81Å
669S61.2Low55.5Low42 Ų4277.7 Ų77.729%0.29443%0.431SS..G310 helixtrans-97.89.4-178.882.80000114.3D665 G666 M667 E671D665-S669 VanDerWaalsContact CB-OG 3.3Å; D665-S669 WeakPolarHBondContact CB-OG 3.1Å; G666-S669 PolarHBondContact O-N 3.2Å; G666-S669 PolarHBondContact O-OG 3.45Å; G666-S669 VanDerWaalsContact O-OG 3.11Å; M667-S669 PolarHBondContact O-N 3.08Å; S669-E671 PolarHBondContact O-N 3.49Å
670C65.1Low57.4Low22 Ų2280 Ų8015%0.14943%0.429CS..PPolyproline II helixtrans-72.6125.2-178.4-75.90000111.8M667 D674 V767 S770M667-C670 PolarHBondContact O-N 3.42Å; C670-D674 WeakPolarHBondContact CA-OD2 3.46Å; C670-V767 HydrophobicContact CB-CG2 4.12Å; C670-S770 VanDerWaalsContact O-CB 3.31Å; C670-S770 WeakPolarHBondContact O-CB 3.38Å
671E65.7Low59.2Low107 Ų10771.2 Ų71.250%0.539%0.39SS..PPolyproline II helixtrans-92.6159.6177.2-67.1-175-128.500111.3R663 S669 G673 D674 V767R663-E671 IonicContact CZ-OE1 2.79Å; R663-E671 VanDerWaalsContact CZ-OE1 3.28Å; R663-E671 IonicContact NH1-OE1 2.65Å; R663-E671 PolarHBondContact NH1-OE1 2.93Å; R663-E671 IonicContact NH2-OE1 2.63Å; R663-E671 PolarHBondContact NH2-OE1 3.09Å; S669-E671 PolarHBondContact O-N 3.49Å; E671-G673 PolarHBondContact O-N 3.24Å; E671-D674 PolarHBondContact N-OD2 3.12Å; E671-D674 WeakPolarHBondContact O-CB 3.35Å; E671-D674 PolarHBondContact O-N 2.65Å; E671-V767 WeakPolarHBondContact O-CB 3.49Å; E671-V767 WeakPolarHBondContact O-CG1 3.21Å
672V70Confident60.8Low72 Ų7268.7 Ų68.744%0.43638%0.375SS..THydrogen-bonded Turntrans-69.3122178.8179.40000109.6Y768V672-Y768 WeakPolarHBondContact CG1-O 3.29Å
673G68.2Low62.4Low48 Ų4874 Ų7450%0.49538%0.379SS..THydrogen-bonded Turntrans108.3-14.6-172.700000114.7E671 L675 V767E671-G673 PolarHBondContact O-N 3.24Å; G673-L675 PolarHBondContact O-N 2.79Å; G673-V767 PolarHBondContact N-O 2.63Å
674D73.1Confident64Low61 Ų6171.5 Ų71.533%0.32637%0.37SS..  trans-58134.2178.1-83.6-18.5000112.1C670 E671 V766 V767C670-D674 WeakPolarHBondContact CA-OD2 3.46Å; E671-D674 PolarHBondContact N-OD2 3.12Å; E671-D674 WeakPolarHBondContact O-CB 3.35Å; E671-D674 PolarHBondContact O-N 2.65Å; D674-V766 CarbonylContact O-C 3.54Å; D674-V766 WeakPolarHBondContact O-CA 3.48Å; D674-V767 HydrophobicContact CB-CB 4.21Å; D674-V767 HydrophobicContact CB-CG2 3.78Å; D674-V767 PolarHBondContact O-N 3.17Å
675L72.8Confident65.6Low116 Ų11669.4 Ų69.461%0.60737%0.367SS*.EExtended strand (participates in β ladder)trans-93.7111.4177.9-171.670.9000110.8G673 Y764 V766G673-L675 PolarHBondContact O-N 2.79Å; L675-Y764 HydrophobicContact CD2-CD1 4.32Å; L675-Y764 HydrophobicContact CG-CD1 4.34Å; L675-V766 HydrophobicContact CD1-CG2 3.78Å
676I73.4Confident67Low20 Ų2066.8 Ų66.810%0.10335%0.351CS..EExtended strand (participates in β ladder)trans-100.8127.1-178.1-60.8-173.3000110.9T678 W681 L718 Y764 A765 V767I676-T678 PolarHBondContact O-N 3.5Å; I676-W681 HydrophobicContact CD1-CE3 4.38Å; I676-W681 HydrophobicContact CG2-CB 3.72Å; I676-W681 HydrophobicContact CG2-CD2 3.7Å; I676-W681 HydrophobicContact CG2-CE3 3.71Å; I676-W681 HydrophobicContact CG2-CG 3.69Å; I676-W681 HydrophobicContact CG2-CZ3 4.45Å; I676-L718 HydrophobicContact CB-CD1 4Å; I676-L718 HydrophobicContact CD1-CD1 4.18Å; I676-L718 HydrophobicContact CD1-CD2 3.98Å; I676-L718 HydrophobicContact CG2-CD1 4.28Å; I676-Y764 WeakPolarHBondContact O-CA 3.37Å; I676-A765 PolarHBondContact N-O 2.9Å; I676-A765 PolarHBondContact O-N 3.42Å; I676-V767 HydrophobicContact CD1-CG2 3.59Å; I676-V767 HydrophobicContact CG1-CG2 4.02Å
677D75.4Confident68.2Low27 Ų2767 Ų6714%0.14435%0.348CS..EExtended strand (participates in β ladder)trans-69.7108.6166.8-178.9-35.8000109.5T679 R680 W681 K763 Y764D677-T679 PolarHBondContact O-N 2.8Å; D677-T679 VanDerWaalsContact O-N 3.11Å; D677-T679 WeakPolarHBondContact OD1-CA 3.48Å; D677-T679 WeakPolarHBondContact OD1-CB 3.34Å; D677-T679 PolarHBondContact OD1-N 3.49Å; D677-T679 PolarHBondContact OD1-OG1 3.49Å; D677-R680 HydrophobicContact CB-CB 4.25Å; D677-R680 HydrophobicContact CB-CG 4.25Å; D677-R680 PolarHBondContact O-N 3.02Å; D677-R680 PolarHBondContact OD1-N 3.3Å; D677-R680 WeakPolarHBondContact OD2-CD 3.43Å; D677-R680 IonicContact OD2-NE 3.29Å; D677-R680 PolarHBondContact OD2-NE 3.05Å; D677-W681 PolarHBondContact O-N 3.42Å; D677-K763 CarbonylContact C-O 3.45Å; D677-K763 WeakPolarHBondContact CA-O 3.22Å; D677-Y764 HydrophobicContact CB-CD1 4.29Å; D677-Y764 HydrophobicContact CB-CE1 4.14Å
678T69.2Low69.3Low10 Ų1074.2 Ų74.26%0.06138%0.375CS..THydrogen-bonded Turntrans-69.7-8.5-173.565.90000113.4I676 W681 P762 K763 A765I676-T678 PolarHBondContact O-N 3.5Å; T678-W681 VanDerWaalsContact C-NE1 3.29Å; T678-W681 PolarHBondContact O-NE1 3.5Å; T678-P762 WeakPolarHBondContact CG2-O 3.23Å; T678-P762 PolarHBondContact OG1-O 3.46Å; T678-K763 PolarHBondContact N-O 3.38Å; T678-K763 WeakPolarHBondContact OG1-CA 3.46Å; T678-K763 PolarHBondContact OG1-O 3.3Å; T678-A765 HydrophobicContact CG2-CB 3.75Å
679T69.6Low70.5Confident67 Ų6772.9 Ų72.941%0.41137%0.37SS..THydrogen-bonded Turntrans-97.8-22.7178.976.50000113.1D677 K763D677-T679 PolarHBondContact O-N 2.8Å; D677-T679 VanDerWaalsContact O-N 3.11Å; D677-T679 WeakPolarHBondContact OD1-CA 3.48Å; D677-T679 WeakPolarHBondContact OD1-CB 3.34Å; D677-T679 PolarHBondContact OD1-N 3.49Å; D677-T679 PolarHBondContact OD1-OG1 3.49Å; T679-K763 HydrophobicContact CG2-CG 4.11Å
680R65.2Low71.8Confident193 Ų19373.5 Ų73.573%0.72837%0.372SS*.THydrogen-bonded Turntrans-93.5-48.4-179-67.7-179-179.8-152.3-3.6113D677 S682 R683D677-R680 HydrophobicContact CB-CB 4.25Å; D677-R680 HydrophobicContact CB-CG 4.25Å; D677-R680 PolarHBondContact O-N 3.02Å; D677-R680 PolarHBondContact OD1-N 3.3Å; D677-R680 WeakPolarHBondContact OD2-CD 3.43Å; D677-R680 IonicContact OD2-NE 3.29Å; D677-R680 PolarHBondContact OD2-NE 3.05Å; R680-S682 VanDerWaalsContact C-N 3.34Å; R680-S682 PolarHBondContact O-N 2.99Å; R680-R683 PolarHBondContact O-N 3.07Å
681W66.6Low73Confident14 Ų1473 Ų735%0.05337%0.367CS..G310 helixtrans-59.8-34.6-174.875.4-40.1000114.8M667 I676 D677 T678 R683 R684 V687 V690 L707 V709 L718M667-W681 HydrophobicContact SD-CE3 3.75Å; M667-W681 HydrophobicContact SD-CZ3 4.37Å; I676-W681 HydrophobicContact CD1-CE3 4.38Å; I676-W681 HydrophobicContact CG2-CB 3.72Å; I676-W681 HydrophobicContact CG2-CD2 3.7Å; I676-W681 HydrophobicContact CG2-CE3 3.71Å; I676-W681 HydrophobicContact CG2-CG 3.69Å; I676-W681 HydrophobicContact CG2-CZ3 4.45Å; D677-W681 PolarHBondContact O-N 3.42Å; T678-W681 VanDerWaalsContact C-NE1 3.29Å; T678-W681 PolarHBondContact O-NE1 3.5Å; W681-R683 PolarHBondContact O-N 3.49Å; W681-R684 WeakPolarHBondContact O-CB 3.39Å; W681-R684 PolarHBondContact O-N 2.91Å; W681-V687 WeakPolarHBondContact O-CG2 3.21Å; W681-V690 HydrophobicContact CZ2-CG1 4.31Å; W681-L707 HydrophobicContact CH2-CB 4.35Å; W681-L707 HydrophobicContact CH2-CD1 3.86Å; W681-L707 HydrophobicContact CZ2-CD1 3.48Å; W681-L707 VanDerWaalsContact CZ2-CD1 3.48Å; W681-V709 HydrophobicContact CH2-CB 4.37Å; W681-V709 HydrophobicContact CH2-CG1 4.37Å; W681-V709 HydrophobicContact CH2-CG2 3.17Å; W681-V709 HydrophobicContact CZ2-CG2 4.3Å; W681-V709 HydrophobicContact CZ3-CB 4.17Å; W681-V709 HydrophobicContact CZ3-CG1 3.87Å; W681-V709 HydrophobicContact CZ3-CG2 3.37Å; W681-L718 HydrophobicContact CE3-CD1 4.13Å; W681-L718 HydrophobicContact CH2-CD1 3.27Å; W681-L718 HydrophobicContact CH2-CG 3.8Å; W681-L718 HydrophobicContact CZ2-CD1 4.04Å; W681-L718 HydrophobicContact CZ3-CD1 3.34Å; W681-L718 HydrophobicContact CZ3-CD2 4.48Å; W681-L718 HydrophobicContact CZ3-CG 3.85Å
682S62.6Low74.1Confident66 Ų6671.5 Ų71.546%0.46237%0.368SS..G310 helixtrans-70.74-174520000113.9R680R680-S682 VanDerWaalsContact C-N 3.34Å; R680-S682 PolarHBondContact O-N 2.99Å
683R64Low75.1Confident214 Ų21468.4 Ų68.481%0.80835%0.35SS*.G310 helixtrans-112-1.8173.5-53.5-178.6-172.5-176.51.9112.8R680 W681R680-R683 PolarHBondContact O-N 3.07Å; W681-R683 PolarHBondContact O-N 3.49Å
684R69Low76.2Confident95 Ų9571.3 Ų71.336%0.35835%0.346SS..SBendtrans-70.5139.3174.1-72.9-170.7173.5-146.93.3109.9D665 W681 E686 V687D665-R684 PolarHBondContact O-NH1 2.88Å; W681-R684 WeakPolarHBondContact O-CB 3.39Å; W681-R684 PolarHBondContact O-N 2.91Å; R684-E686 WeakPolarHBondContact CD-OE2 3.32Å; R684-E686 IonicContact NH1-OE1 2.71Å; R684-E686 IonicContact NH1-OE2 3.3Å; R684-E686 PolarHBondContact NH1-OE2 2.93Å; R684-E686 PolarHBondContact O-N 3.46Å; R684-V687 HydrophobicContact CB-CG2 4.07Å; R684-V687 PolarHBondContact O-N 3.3Å
685P69.1Low76.9Confident115 Ų11569.4 Ų69.475%0.74734%0.335SS*.THydrogen-bonded Turntrans-66.6-23.5-179.428.6-35.6000113.1V687P685-V687 PolarHBondContact O-N 3.42Å
686E74.1Confident77.5Confident49 Ų4965 Ų6523%0.22931%0.311CS..THydrogen-bonded Turntrans-61.5-24177-63.2151.4-166.200113.3G666 M667 R684 R688 A711 E712G666-E686 VanDerWaalsContact CA-OE1 3.28Å; G666-E686 WeakPolarHBondContact CA-OE1 3.18Å; G666-E686 WeakPolarHBondContact CA-OE2 3.01Å; M667-E686 PolarHBondContact N-OE2 2.85Å; R684-E686 WeakPolarHBondContact CD-OE2 3.32Å; R684-E686 IonicContact NH1-OE1 2.71Å; R684-E686 IonicContact NH1-OE2 3.3Å; R684-E686 PolarHBondContact NH1-OE2 2.93Å; R684-E686 PolarHBondContact O-N 3.46Å; E686-R688 PolarHBondContact O-N 3.41Å; E686-A711 CarbonylContact O-C 3.55Å; E686-A711 VanDerWaalsContact O-CA 3.31Å; E686-A711 WeakPolarHBondContact O-CA 3.24Å; E686-E712 HydrophobicContact CB-CG 4.33Å; E686-E712 WeakPolarHBondContact O-CG 3.26Å; E686-E712 PolarHBondContact O-N 3.03Å
687V79.9Confident77.7Confident28 Ų2868.4 Ų68.417%0.1733%0.326CS..  trans-8397.5-172.8-173.40000109.5M667 W681 R684 P685 V690 V709M667-V687 HydrophobicContact CE-CB 4.35Å; M667-V687 HydrophobicContact CE-CG2 3.6Å; M667-V687 HydrophobicContact SD-CG2 3.86Å; W681-V687 WeakPolarHBondContact O-CG2 3.21Å; R684-V687 HydrophobicContact CB-CG2 4.07Å; R684-V687 PolarHBondContact O-N 3.3Å; P685-V687 PolarHBondContact O-N 3.42Å; V687-V690 HydrophobicContact CG1-CG2 3.53Å; V687-V709 HydrophobicContact CG1-CG1 4.37Å
688R81.8Confident77.6Confident154 Ų15473.2 Ų73.258%0.58136%0.358SS*.  trans-78.6-18.5176.6-55.3-51.4-168.5107.1-3.9113.1E686 L710 E712 M827E686-R688 PolarHBondContact O-N 3.41Å; R688-L710 HydrophobicContact CB-CD2 4.36Å; R688-L710 HydrophobicContact CB-CG 4.17Å; R688-L710 PolarHBondContact N-O 3.45Å; R688-E712 IonicContact CZ-OE1 2.71Å; R688-E712 IonicContact NE-OE1 3.56Å; R688-E712 PolarHBondContact NE-OE1 3.32Å; R688-E712 IonicContact NH2-OE1 2.87Å; R688-E712 PolarHBondContact NH2-OE1 2.98Å; R688-M827 WeakPolarHBondContact O-CE 3.26Å
689G85.1Confident77.6Confident10 Ų1076.8 Ų76.810%0.10338%0.377CS..EExtended strand (participates in β ladder)trans-173.4155.5173.400000114.8V709 L710G689-V709 WeakPolarHBondContact O-CA 3.47Å; G689-L710 PolarHBondContact N-O 2.94Å; G689-L710 PolarHBondContact O-N 3.32Å
690V88.4Confident77.7Confident56 Ų5675.2 Ų75.234%0.33937%0.374SS..EExtended strand (participates in β ladder)trans-139.5132.2174.4-175.30000109.2W681 V687 L707 L708 V709W681-V690 HydrophobicContact CZ2-CG1 4.31Å; V687-V690 HydrophobicContact CG1-CG2 3.53Å; V690-L707 HydrophobicContact CG1-CB 4.3Å; V690-L707 HydrophobicContact CG1-CD1 4.26Å; V690-L707 HydrophobicContact CG1-CD2 4.38Å; V690-L708 CarbonylContact C-O 3.58Å; V690-L708 WeakPolarHBondContact CA-O 3.35Å; V690-V709 HydrophobicContact CG1-CG2 4.35Å; V690-V709 HydrophobicContact CG2-CG1 4.43Å
691F90.2Very high78.2Confident12 Ų1270.2 Ų70.25%0.05336%0.359CS..EExtended strand (participates in β ladder)trans-131.5134.6-179.7-56.6-83.7000110.8T693 L707 L708 I818 K820 E823 A824 M827F691-T693 PolarHBondContact O-N 2.89Å; F691-L707 CarbonylContact O-C 3.3Å; F691-L707 VanDerWaalsContact O-CA 3.31Å; F691-L707 WeakPolarHBondContact O-CA 3.36Å; F691-L708 HydrophobicContact CB-CB 4.41Å; F691-L708 HydrophobicContact CD2-CD2 4.46Å; F691-L708 PolarHBondContact N-O 2.98Å; F691-L708 PolarHBondContact O-N 2.76Å; F691-I818 HydrophobicContact CB-CG2 3.91Å; F691-I818 HydrophobicContact CG-CG2 4.49Å; F691-K820 HydrophobicContact CD1-CB 4.37Å; F691-E823 HydrophobicContact CE1-CB 4.23Å; F691-E823 HydrophobicContact CE1-CG 4.1Å; F691-A824 HydrophobicContact CD1-CB 3.84Å; F691-A824 HydrophobicContact CD2-CB 3.72Å; F691-A824 HydrophobicContact CE1-CB 3.86Å; F691-A824 HydrophobicContact CE2-CB 3.74Å; F691-A824 HydrophobicContact CG-CB 3.77Å; F691-A824 VanDerWaalsContact CZ-CA 3.41Å; F691-A824 HydrophobicContact CZ-CB 3.82Å; F691-M827 HydrophobicContact CE2-CE 4.17Å; F691-M827 HydrophobicContact CZ-CE 3.79Å; F691-M827 HydrophobicContact CZ-SD 3.75Å
692S89.5Confident78.9Confident74 Ų7473.3 Ų73.352%0.51738%0.376SS..EExtended strand (participates in β ladder)trans-67.6127.2170.1-55.10000110.8
693T90.5Very high79.8Confident8 Ų870.9 Ų70.95%0.04936%0.362CS..EExtended strand (participates in β ladder)trans-130.9166.5-178.662.90000112.9F691 G706 L708 Y817 I818F691-T693 PolarHBondContact O-N 2.89Å; T693-G706 PolarHBondContact N-O 2.82Å; T693-G706 PolarHBondContact O-N 2.91Å; T693-G706 VanDerWaalsContact O-O 3.12Å; T693-G706 PolarHBondContact OG1-O 2.68Å; T693-L708 HydrophobicContact CG2-CB 3.48Å; T693-L708 VanDerWaalsContact CG2-CB 3.48Å; T693-Y817 CarbonylContact C-O 3.57Å; T693-Y817 WeakPolarHBondContact CA-O 3.38Å; T693-Y817 WeakPolarHBondContact CB-O 3.41Å; T693-I818 HydrophobicContact CG2-CB 4.24Å; T693-I818 HydrophobicContact CG2-CD1 4.32Å; T693-I818 HydrophobicContact CG2-CG1 3.75Å; T693-I818 HydrophobicContact CG2-CG2 4.09Å
694R90.5Very high80.7Confident109 Ų10962.4 Ų62.441%0.41133%0.332SS..EExtended strand (participates in β ladder)trans-128135.2160.5-85.5176.1165.2-174.7-8.1109.5L696 L702 D704 S705 L816 Y817R694-L696 PolarHBondContact O-N 2.99Å; R694-L702 HydrophobicContact CB-CD2 3.83Å; R694-D704 VanDerWaalsContact CA-O 3.28Å; R694-D704 WeakPolarHBondContact CA-O 3.33Å; R694-S705 PolarHBondContact NE-OG 3.38Å; R694-L816 WeakPolarHBondContact O-CA 3.5Å; R694-Y817 PolarHBondContact N-O 3.46Å; R694-Y817 PolarHBondContact O-N 3.13Å
695F88.2Confident81.5Confident21 Ų2160.2 Ų60.29%0.09233%0.331CS..EExtended strand (participates in β ladder)trans-69.1125.6174.7-64-87.8000109G703 D704 L717 R719 Y768 L816F695-G703 VanDerWaalsContact O-CA 3.28Å; F695-G703 WeakPolarHBondContact O-CA 2.86Å; F695-G703 PolarHBondContact O-N 3.17Å; F695-D704 HydrophobicContact CD2-CB 4.17Å; F695-D704 WeakPolarHBondContact CD2-O 3.26Å; F695-D704 PolarHBondContact N-O 2.95Å; F695-L717 HydrophobicContact CE1-CB 4.13Å; F695-L717 HydrophobicContact CE1-CD1 4.17Å; F695-L717 HydrophobicContact CZ-CB 4.21Å; F695-R719 HydrophobicContact CE2-CB 3.92Å; F695-R719 HydrophobicContact CE2-CG 4.25Å; F695-R719 HydrophobicContact CZ-CB 4.34Å; F695-Y768 HydrophobicContact CD1-CD1 4.16Å; F695-Y768 HydrophobicContact CD1-CE1 4.13Å; F695-Y768 AromaticContact CE1-CD1 3.39Å; F695-Y768 HydrophobicContact CE1-CD1 3.39Å; F695-Y768 AromaticContact CE1-CE1 3.81Å; F695-Y768 HydrophobicContact CE1-CE1 3.81Å; F695-Y768 AromaticContact CE1-CG 3.96Å; F695-Y768 HydrophobicContact CE1-CG 3.96Å; F695-Y768 AromaticContact CZ-CD1 3.93Å; F695-Y768 HydrophobicContact CZ-CD1 3.93Å; F695-Y768 HydrophobicContact CZ-CG 4.05Å; F695-L816 HydrophobicContact CD1-CD2 3.61Å; F695-L816 HydrophobicContact CE1-CD2 3.93Å; F695-L816 HydrophobicContact CG-CD2 4.25Å
696L85.3Confident82.5Confident22 Ų2254.8 Ų54.812%0.11530%0.296CS..EExtended strand (participates in β ladder)trans-85118.6174.5-69164.2000108.5R694 G700 L702 C788 R815R694-L696 PolarHBondContact O-N 2.99Å; L696-G700 WeakPolarHBondContact CD2-O 3.46Å; L696-L702 HydrophobicContact CD2-CD2 3.82Å; L696-L702 HydrophobicContact CD2-CG 4.48Å; L696-C788 HydrophobicContact CD1-CB 3.99Å; L696-R815 HydrophobicContact CB-CB 3.72Å; L696-R815 WeakPolarHBondContact CB-O 3.09Å; L696-R815 HydrophobicContact CD1-CB 4.13Å; L696-R815 PolarHBondContact N-O 2.72Å
697K78.1Confident83.2Confident93 Ų9352.5 Ų52.540%0.40429%0.286SS..PPolyproline II helixtrans-61161.3174-68.3174.7-176.8169.50110.2N699 G700 Q701K697-N699 WeakPolarHBondContact CB-OD1 3.4Å; K697-N699 PolarHBondContact O-N 3.17Å; K697-G700 PolarHBondContact O-N 2.95Å; K697-Q701 HydrophobicContact CD-CB 4.21Å; K697-Q701 PolarHBondContact N-O 3.18Å
698P72.3Confident83.7Confident127 Ų12751.2 Ų51.283%0.82528%0.278SS*.THydrogen-bonded Turntrans-52.8-38.9177-2936.5000113.6G700 R815P698-G700 PolarHBondContact O-N 2.77Å; P698-G700 VanDerWaalsContact O-N 3.1Å; P698-R815 PolarHBondContact O-NH1 2.87Å
699N70.2Confident84.1Confident85 Ų8543.9 Ų43.946%0.45525%0.25SS..THydrogen-bonded Turntrans-73.112.7175.172.7-18.9000114.8K697 Q701K697-N699 WeakPolarHBondContact CB-OD1 3.4Å; K697-N699 PolarHBondContact O-N 3.17Å; N699-Q701 PolarHBondContact ND2-OE1 2.95Å; N699-Q701 PolarHBondContact O-N 2.88Å; N699-Q701 VanDerWaalsContact O-N 3.14Å; N699-Q701 WeakPolarHBondContact OD1-CB 3.27Å; N699-Q701 PolarHBondContact OD1-N 3.04Å
700G70.4Confident84.3Confident35 Ų3543.6 Ų43.636%0.36125%0.246SC..SBendtrans77.2-11.8178.200000115.7L696 K697 P698L696-G700 WeakPolarHBondContact CD2-O 3.46Å; K697-G700 PolarHBondContact O-N 2.95Å; P698-G700 PolarHBondContact O-N 2.77Å; P698-G700 VanDerWaalsContact O-N 3.1Å
701Q76.5Confident84.2Confident87 Ų8740.9 Ų40.941%0.40723%0.23SC..  trans-67.2146.6178.8-70.9179.7-22.700112.3K697 N699 G703K697-Q701 HydrophobicContact CD-CB 4.21Å; K697-Q701 PolarHBondContact N-O 3.18Å; N699-Q701 PolarHBondContact ND2-OE1 2.95Å; N699-Q701 PolarHBondContact O-N 2.88Å; N699-Q701 VanDerWaalsContact O-N 3.14Å; N699-Q701 WeakPolarHBondContact OD1-CB 3.27Å; N699-Q701 PolarHBondContact OD1-N 3.04Å; Q701-G703 PolarHBondContact O-N 3.06Å
702L80.7Confident83.7Confident79 Ų7944 Ų4441%0.41425%0.245SC..EExtended strand (participates in β ladder)trans-62.5116.9167.2-67.1170.2000109.9R694 L696 Y817R694-L702 HydrophobicContact CB-CD2 3.83Å; L696-L702 HydrophobicContact CD2-CD2 3.82Å; L696-L702 HydrophobicContact CD2-CG 4.48Å; L702-Y817 HydrophobicContact CD2-CD1 4.07Å; L702-Y817 HydrophobicContact CD2-CD2 4.37Å; L702-Y817 HydrophobicContact CD2-CG 3.72Å
703G81.2Confident83.3Confident15 Ų1547.5 Ų47.516%0.15525%0.247CC..EExtended strand (participates in β ladder)trans-92.7-144.1169.900000111.8F695 Q701F695-G703 VanDerWaalsContact O-CA 3.28Å; F695-G703 WeakPolarHBondContact O-CA 2.86Å; F695-G703 PolarHBondContact O-N 3.17Å; Q701-G703 PolarHBondContact O-N 3.06Å
704D83.5Confident83.1Confident36 Ų3648.5 Ų48.519%0.19325%0.251CS..EExtended strand (participates in β ladder)trans-56.8144.2-175.6-54.2-107.3000113R694 F695 R719 T722R694-D704 VanDerWaalsContact CA-O 3.28Å; R694-D704 WeakPolarHBondContact CA-O 3.33Å; F695-D704 HydrophobicContact CD2-CB 4.17Å; F695-D704 WeakPolarHBondContact CD2-O 3.26Å; F695-D704 PolarHBondContact N-O 2.95Å; D704-R719 HydrophobicContact CB-CG 3.99Å; D704-R719 VanDerWaalsContact CG-CZ 3.48Å; D704-R719 IonicContact OD1-CZ 2.7Å; D704-R719 IonicContact OD1-NE 3.76Å; D704-R719 PolarHBondContact OD1-NE 3.3Å; D704-R719 IonicContact OD1-NH2 2.85Å; D704-R719 PolarHBondContact OD1-NH2 3.28Å; D704-R719 IonicContact OD2-CZ 2.84Å; D704-R719 IonicContact OD2-NE 2.77Å; D704-R719 IonicContact OD2-NH2 2.68Å; D704-R719 PolarHBondContact OD2-NH2 2.74Å; D704-R719 VanDerWaalsContact OD2-NH2 3.14Å; D704-T722 WeakPolarHBondContact OD1-CG2 3.34Å
705S87Confident83.1Confident49 Ų4943.3 Ų43.334%0.34323%0.231SC..EExtended strand (participates in β ladder)trans-72.1146.4165.8-60.60000110.5R694 H720R694-S705 PolarHBondContact NE-OG 3.38Å; S705-H720 WeakPolarHBondContact O-CB 3.28Å; S705-H720 PolarHBondContact O-N 3.2Å
706G88.3Confident83.1Confident1 Ų142.3 Ų42.31%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-161.1-170.7-177.400000112.5T693 L718T693-G706 PolarHBondContact N-O 2.82Å; T693-G706 PolarHBondContact O-N 2.91Å; T693-G706 VanDerWaalsContact O-O 3.12Å; T693-G706 PolarHBondContact OG1-O 2.68Å; G706-L718 CarbonylContact C-O 3.55Å; G706-L718 WeakPolarHBondContact CA-O 3.31Å
707L89.6Confident83.3Confident1 Ų141.3 Ų41.31%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-131131.1177.3-57.3175.8000109.9W681 V690 F691 V709 L718 L761W681-L707 HydrophobicContact CH2-CB 4.35Å; W681-L707 HydrophobicContact CH2-CD1 3.86Å; W681-L707 HydrophobicContact CZ2-CD1 3.48Å; W681-L707 VanDerWaalsContact CZ2-CD1 3.48Å; V690-L707 HydrophobicContact CG1-CB 4.3Å; V690-L707 HydrophobicContact CG1-CD1 4.26Å; V690-L707 HydrophobicContact CG1-CD2 4.38Å; F691-L707 CarbonylContact O-C 3.3Å; F691-L707 VanDerWaalsContact O-CA 3.31Å; F691-L707 WeakPolarHBondContact O-CA 3.36Å; L707-V709 HydrophobicContact CB-CG2 4.19Å; L707-L718 HydrophobicContact CB-CB 4.39Å; L707-L718 PolarHBondContact N-O 3.5Å; L707-L718 PolarHBondContact O-N 3.39Å; L707-L761 HydrophobicContact CD1-CD2 4.18Å; L707-L761 HydrophobicContact CD2-CD2 4.15Å
708L91.2Very high83.7Confident1 Ų136.9 Ų36.91%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-91.4128.4165.1173.170.7000108.4V690 F691 T693 L715 L717 F791 L816 I818 A824V690-L708 CarbonylContact C-O 3.58Å; V690-L708 WeakPolarHBondContact CA-O 3.35Å; F691-L708 HydrophobicContact CB-CB 4.41Å; F691-L708 HydrophobicContact CD2-CD2 4.46Å; F691-L708 PolarHBondContact N-O 2.98Å; F691-L708 PolarHBondContact O-N 2.76Å; T693-L708 HydrophobicContact CG2-CB 3.48Å; T693-L708 VanDerWaalsContact CG2-CB 3.48Å; L708-L715 HydrophobicContact CD1-CD1 3.72Å; L708-L715 HydrophobicContact CD1-CD2 4.06Å; L708-L715 HydrophobicContact CD1-CG 3.73Å; L708-L715 HydrophobicContact CG-CD1 4.38Å; L708-L717 HydrophobicContact CB-CD2 4.46Å; L708-L717 HydrophobicContact CD1-CD2 3.39Å; L708-F791 HydrophobicContact CD2-CE2 4.11Å; L708-F791 HydrophobicContact CD2-CZ 3.89Å; L708-L816 HydrophobicContact CD1-CD1 4.11Å; L708-I818 HydrophobicContact CD2-CD1 3.67Å; L708-A824 HydrophobicContact CD2-CB 4.41Å
709V89.1Confident84.5Confident0 Ų035.4 Ų35.40%018%0.18CC..EExtended strand (participates in β ladder)trans-130.9132.1-169.1-178.60000108.8M667 W681 V687 G689 V690 L707 I716M667-V709 HydrophobicContact CE-CG1 3.49Å; M667-V709 VanDerWaalsContact CE-CG1 3.49Å; M667-V709 HydrophobicContact SD-CG1 4.3Å; W681-V709 HydrophobicContact CH2-CB 4.37Å; W681-V709 HydrophobicContact CH2-CG1 4.37Å; W681-V709 HydrophobicContact CH2-CG2 3.17Å; W681-V709 HydrophobicContact CZ2-CG2 4.3Å; W681-V709 HydrophobicContact CZ3-CB 4.17Å; W681-V709 HydrophobicContact CZ3-CG1 3.87Å; W681-V709 HydrophobicContact CZ3-CG2 3.37Å; V687-V709 HydrophobicContact CG1-CG1 4.37Å; G689-V709 WeakPolarHBondContact O-CA 3.47Å; V690-V709 HydrophobicContact CG1-CG2 4.35Å; V690-V709 HydrophobicContact CG2-CG1 4.43Å; L707-V709 HydrophobicContact CB-CG2 4.19Å; V709-I716 HydrophobicContact CB-CB 4.18Å; V709-I716 WeakPolarHBondContact CB-O 3.33Å; V709-I716 PolarHBondContact N-O 3.18Å; V709-I716 PolarHBondContact O-N 3.25Å
710L89.8Confident85.2Confident4 Ų432.7 Ų32.72%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-107.2105.7177.1-175.958.1000108R688 G689 L715 L773 M827 V828 A831R688-L710 HydrophobicContact CB-CD2 4.36Å; R688-L710 HydrophobicContact CB-CG 4.17Å; R688-L710 PolarHBondContact N-O 3.45Å; G689-L710 PolarHBondContact N-O 2.94Å; G689-L710 PolarHBondContact O-N 3.32Å; L710-L715 HydrophobicContact CD1-CD1 4.08Å; L710-L773 HydrophobicContact CD1-CD1 4.12Å; L710-L773 HydrophobicContact CD1-CD2 3.84Å; L710-M827 HydrophobicContact CD2-CB 4.04Å; L710-V828 HydrophobicContact CD1-CG2 4.3Å; L710-V828 HydrophobicContact CD2-CG2 4.23Å; L710-A831 HydrophobicContact CD1-CB 3.89Å; L710-A831 HydrophobicContact CD2-CB 3.91Å; L710-A831 HydrophobicContact CG-CB 4.26Å
711A85.6Confident85.1Confident0 Ų035 Ų350%017%0.173CC..  trans-80.3-17216500000109.8M667 E686 H714 I716M667-A711 HydrophobicContact CE-CB 3.76Å; E686-A711 CarbonylContact O-C 3.55Å; E686-A711 VanDerWaalsContact O-CA 3.31Å; E686-A711 WeakPolarHBondContact O-CA 3.24Å; A711-H714 WeakPolarHBondContact CA-O 3.29Å; A711-H714 HydrophobicContact CB-CB 4.33Å; A711-H714 WeakPolarHBondContact CB-O 3.27Å; A711-H714 PolarHBondContact N-O 3Å; A711-I716 HydrophobicContact CB-CD1 4.25Å
712E80.1Confident84.3Confident78 Ų7834 Ų3436%0.36417%0.173SC..SBendtrans-74.3-36.7179.5-49.8-149.2121.400112.8E686 R688 T835E686-E712 HydrophobicContact CB-CG 4.33Å; E686-E712 WeakPolarHBondContact O-CG 3.26Å; E686-E712 PolarHBondContact O-N 3.03Å; R688-E712 IonicContact CZ-OE1 2.71Å; R688-E712 IonicContact NE-OE1 3.56Å; R688-E712 PolarHBondContact NE-OE1 3.32Å; R688-E712 IonicContact NH2-OE1 2.87Å; R688-E712 PolarHBondContact NH2-OE1 2.98Å; E712-T835 PolarHBondContact O-OG1 3.1Å
713R82.1Confident82.6Confident146 Ų14636.3 Ų36.355%0.55119%0.193SC*.SBendtrans-121.8-10.9179.3-60.3-178-62.3155.34.7114.2D668 L773 T835D668-R713 PolarHBondContact OD1-N 3.49Å; D668-R713 IonicContact OD2-CZ 2.73Å; D668-R713 IonicContact OD2-NE 2.61Å; D668-R713 PolarHBondContact OD2-NE 3.01Å; D668-R713 IonicContact OD2-NH2 3.81Å; D668-R713 PolarHBondContact OD2-NH2 3.45Å; R713-L773 WeakPolarHBondContact O-CG 3.48Å; R713-L773 PolarHBondContact O-N 3.45Å; R713-T835 HydrophobicContact CG-CG2 4.17Å
714H86.5Confident80.5Confident29 Ų2944.2 Ų44.213%0.13422%0.218CC..EExtended strand (participates in β ladder)trans-122.9146.8-178.3-65.776.9000114D668 A711 I716 I771D668-H714 WeakPolarHBondContact CB-ND1 3.35Å; D668-H714 IonicContact OD1-CE1 2.7Å; D668-H714 IonicContact OD1-CG 3.33Å; D668-H714 PolarHBondContact OD1-N 3.49Å; D668-H714 IonicContact OD1-ND1 2.67Å; D668-H714 PolarHBondContact OD1-ND1 2.81Å; A711-H714 WeakPolarHBondContact CA-O 3.29Å; A711-H714 HydrophobicContact CB-CB 4.33Å; A711-H714 WeakPolarHBondContact CB-O 3.27Å; A711-H714 PolarHBondContact N-O 3Å; H714-I716 HydrophobicContact CB-CD1 4.34Å; H714-I716 HydrophobicContact CB-CG1 3.98Å; H714-I771 CarbonylContact C-O 3.58Å; H714-I771 WeakPolarHBondContact CA-O 3.23Å
715L89.1Confident78Confident1 Ų149.7 Ų49.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-98.2118.2162.7-163.971000107.8L708 L710 I771 L773 F791 V828L708-L715 HydrophobicContact CD1-CD1 3.72Å; L708-L715 HydrophobicContact CD1-CD2 4.06Å; L708-L715 HydrophobicContact CD1-CG 3.73Å; L708-L715 HydrophobicContact CG-CD1 4.38Å; L710-L715 HydrophobicContact CD1-CD1 4.08Å; L715-I771 HydrophobicContact CB-CB 4.42Å; L715-I771 HydrophobicContact CB-CD1 4.35Å; L715-I771 HydrophobicContact CD2-CD1 4.42Å; L715-I771 PolarHBondContact N-O 3.16Å; L715-I771 WeakPolarHBondContact O-CB 3.35Å; L715-I771 PolarHBondContact O-N 3.19Å; L715-L773 HydrophobicContact CB-CD2 4.09Å; L715-F791 HydrophobicContact CD2-CD1 3.81Å; L715-F791 HydrophobicContact CD2-CE1 3.87Å; L715-F791 HydrophobicContact CD2-CG 4.3Å; L715-F791 HydrophobicContact CD2-CZ 4.38Å; L715-V828 HydrophobicContact CD1-CG1 4.17Å; L715-V828 HydrophobicContact CD1-CG2 3.63Å
716I88.2Confident75.3Confident0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-116.6133-172.1-54.8174000109M667 V709 A711 H714 L718 V767 R769M667-I716 HydrophobicContact CB-CD1 4.28Å; M667-I716 HydrophobicContact CE-CD1 4.18Å; M667-I716 HydrophobicContact CG-CD1 3.75Å; M667-I716 WeakPolarHBondContact O-CD1 3.38Å; V709-I716 HydrophobicContact CB-CB 4.18Å; V709-I716 WeakPolarHBondContact CB-O 3.33Å; V709-I716 PolarHBondContact N-O 3.18Å; V709-I716 PolarHBondContact O-N 3.25Å; A711-I716 HydrophobicContact CB-CD1 4.25Å; H714-I716 HydrophobicContact CB-CD1 4.34Å; H714-I716 HydrophobicContact CB-CG1 3.98Å; I716-L718 HydrophobicContact CG2-CD2 3.78Å; I716-V767 HydrophobicContact CG2-CG1 4.31Å; I716-R769 WeakPolarHBondContact CA-O 3.4Å
717L89.1Confident72.7Confident0 Ų057.8 Ų57.80%029%0.292CS..EExtended strand (participates in β ladder)trans-108.2117.1177.2-57.8-177.5000108.7F695 L708 Y768 R769 I771 D814 L816F695-L717 HydrophobicContact CE1-CB 4.13Å; F695-L717 HydrophobicContact CE1-CD1 4.17Å; F695-L717 HydrophobicContact CZ-CB 4.21Å; L708-L717 HydrophobicContact CB-CD2 4.46Å; L708-L717 HydrophobicContact CD1-CD2 3.39Å; L717-Y768 HydrophobicContact CB-CD1 4.24Å; L717-Y768 HydrophobicContact CD1-CD1 4.26Å; L717-Y768 WeakPolarHBondContact O-CA 3.34Å; L717-Y768 WeakPolarHBondContact O-CB 3.16Å; L717-Y768 PolarHBondContact O-N 3Å; L717-R769 HydrophobicContact CB-CB 4.19Å; L717-R769 HydrophobicContact CD1-CB 4.1Å; L717-R769 HydrophobicContact CG-CB 4.3Å; L717-R769 PolarHBondContact N-O 3.09Å; L717-R769 PolarHBondContact O-N 3.14Å; L717-I771 HydrophobicContact CD1-CD1 4.44Å; L717-I771 HydrophobicContact CG-CD1 4.46Å; L717-D814 HydrophobicContact CD1-CB 4.11Å; L717-D814 WeakPolarHBondContact CD1-OD2 3.47Å; L717-L816 HydrophobicContact CD2-CD1 3.62Å
718L88.3Confident70.2Confident0 Ų064.4 Ų64.40%032%0.322CS..EExtended strand (participates in β ladder)trans-101.8141.6169.4-54.1-158.6000110.9I676 W681 G706 L707 I716 A765 V766 V767I676-L718 HydrophobicContact CB-CD1 4Å; I676-L718 HydrophobicContact CD1-CD1 4.18Å; I676-L718 HydrophobicContact CD1-CD2 3.98Å; I676-L718 HydrophobicContact CG2-CD1 4.28Å; W681-L718 HydrophobicContact CE3-CD1 4.13Å; W681-L718 HydrophobicContact CH2-CD1 3.27Å; W681-L718 HydrophobicContact CH2-CG 3.8Å; W681-L718 HydrophobicContact CZ2-CD1 4.04Å; W681-L718 HydrophobicContact CZ3-CD1 3.34Å; W681-L718 HydrophobicContact CZ3-CD2 4.48Å; W681-L718 HydrophobicContact CZ3-CG 3.85Å; G706-L718 CarbonylContact C-O 3.55Å; G706-L718 WeakPolarHBondContact CA-O 3.31Å; L707-L718 HydrophobicContact CB-CB 4.39Å; L707-L718 PolarHBondContact N-O 3.5Å; L707-L718 PolarHBondContact O-N 3.39Å; I716-L718 HydrophobicContact CG2-CD2 3.78Å; L718-A765 HydrophobicContact CB-CB 3.87Å; L718-A765 HydrophobicContact CD1-CB 3.79Å; L718-V766 CarbonylContact C-O 3.22Å; L718-V766 VanDerWaalsContact CA-O 3.28Å; L718-V766 WeakPolarHBondContact CA-O 3.42Å; L718-V767 HydrophobicContact CD2-CB 4.12Å; L718-V767 HydrophobicContact CD2-CG2 3.55Å
719R87Confident67.5Low97 Ų9771.1 Ų71.137%0.36636%0.357SS..EExtended strand (participates in β ladder)trans-104.8130.1169.9-178.1177.3177.6179.55.6109.5F695 D704 A765 V766F695-R719 HydrophobicContact CE2-CB 3.92Å; F695-R719 HydrophobicContact CE2-CG 4.25Å; F695-R719 HydrophobicContact CZ-CB 4.34Å; D704-R719 HydrophobicContact CB-CG 3.99Å; D704-R719 VanDerWaalsContact CG-CZ 3.48Å; D704-R719 IonicContact OD1-CZ 2.7Å; D704-R719 IonicContact OD1-NE 3.76Å; D704-R719 PolarHBondContact OD1-NE 3.3Å; D704-R719 IonicContact OD1-NH2 2.85Å; D704-R719 PolarHBondContact OD1-NH2 3.28Å; D704-R719 IonicContact OD2-CZ 2.84Å; D704-R719 IonicContact OD2-NE 2.77Å; D704-R719 IonicContact OD2-NH2 2.68Å; D704-R719 PolarHBondContact OD2-NH2 2.74Å; D704-R719 VanDerWaalsContact OD2-NH2 3.14Å; R719-A765 WeakPolarHBondContact O-CA 3.42Å; R719-V766 PolarHBondContact N-O 3.36Å; R719-V766 PolarHBondContact O-N 3.08Å
720H85.6Confident64.9Low27 Ų2775.7 Ų75.713%0.12538%0.381CS..  trans-73.2143.7171.6-66.7-43.2000110.2S705 T722 P762S705-H720 WeakPolarHBondContact O-CB 3.28Å; S705-H720 PolarHBondContact O-N 3.2Å; H720-T722 PolarHBondContact O-N 3.15Å; H720-T722 VanDerWaalsContact O-N 3.11Å; H720-P762 HydrophobicContact CB-CG 4.03Å; H720-P762 VanDerWaalsContact ND1-CG 3.32Å; H720-P762 WeakPolarHBondContact ND1-CG 3.39Å
721P69.4Low62.3Low83 Ų8381.3 Ų81.354%0.53941%0.411SS..  trans-63115.7172.926.6-33.4000109.3Y764P721-Y764 WeakPolarHBondContact CD-O 3.4Å
722T58.2Low59.9Low67 Ų6785.1 Ų85.141%0.41144%0.438SS..  trans-65.9139.8171.944.80000110.3D704 H720 R724D704-T722 WeakPolarHBondContact OD1-CG2 3.34Å; H720-T722 PolarHBondContact O-N 3.15Å; H720-T722 VanDerWaalsContact O-N 3.11Å; T722-R724 VanDerWaalsContact C-N 3.29Å; T722-R724 PolarHBondContact O-N 2.77Å
723P45.4Very low57.6Low128 Ų12888.1 Ų88.183%0.83146%0.456SS*.  trans-7184.2176.430.6-35.1000110.6
724R37.3Very low54.9Low181 Ų18185 Ų8568%0.68346%0.456SS*.  trans-63.7141.8159.9-66.5-175.8179.7178.22.5107.9T722T722-R724 VanDerWaalsContact C-N 3.29Å; T722-R724 PolarHBondContact O-N 2.77Å
725L31.9Very low52.5Low151 Ų15188.9 Ų88.979%0.79149%0.487SS*.  trans-56.4145.3176.6-82.679.1000110.2N727L725-N727 PolarHBondContact O-N 2.65Å
726P29Very low49.7Very low99 Ų9994.3 Ų94.364%0.64352%0.52SS*.THydrogen-bonded Turntrans-79.160-160.933.1-38.8000114.1I730P726-I730 VanDerWaalsContact O-CD1 3.28Å; P726-I730 WeakPolarHBondContact O-CD1 3.48Å
727N34.5Very low47Very low121 Ų121102.6 Ų102.665%0.64756%0.563SS**THydrogen-bonded Turntrans-126.8-8.2175-79.6-28.9000114L725L725-N727 PolarHBondContact O-N 2.65Å
728Q35.9Very low44.2Very low140 Ų140111 Ų11165%0.65460%0.602SS**SBendtrans-110.4-2-179.1-76.3-170.4-18.300115.6
729L34.7Very low41.4Very low141 Ų141116.3 Ų116.374%0.73864%0.639SS**SBendtrans-112.1-6.6170.1-95.5166.7000113.5S732L729-S732 PolarHBondContact O-OG 3.39Å
730I36.3Very low38.7Very low96 Ų96117.2 Ų117.249%0.49266%0.655SS.*SBendtrans-84.5-38175-61.6-175.8000110P726 S732 L733 S734P726-I730 VanDerWaalsContact O-CD1 3.28Å; P726-I730 WeakPolarHBondContact O-CD1 3.48Å; I730-S732 PolarHBondContact O-N 3.2Å; I730-S732 VanDerWaalsContact O-N 3.17Å; I730-L733 PolarHBondContact O-N 3.47Å; I730-S734 WeakPolarHBondContact O-CB 3.15Å; I730-S734 PolarHBondContact O-N 3.44Å; I730-S734 VanDerWaalsContact O-N 3.08Å
731N35.3Very low36.1Very low122 Ų122124.9 Ų124.965%0.65269%0.689SS**THydrogen-bonded Turntrans-73-6.1-177.2-634.9000114.3
732S33.9Very low34.2Very low81 Ų81126.5 Ų126.557%0.56669%0.693SS**THydrogen-bonded Turntrans-97.63.4169.4600000113.5L729 I730L729-S732 PolarHBondContact O-OG 3.39Å; I730-S732 PolarHBondContact O-N 3.2Å; I730-S732 VanDerWaalsContact O-N 3.17Å
733L31.1Very low32.7Very low141 Ų141131.9 Ų131.974%0.73871%0.711SS**THydrogen-bonded Turntrans-132-2.6178.1-71.4171.8000113.1I730 S735I730-L733 PolarHBondContact O-N 3.47Å; L733-S735 VanDerWaalsContact C-N 3.33Å; L733-S735 PolarHBondContact O-N 3.05Å
734S26.6Very low32Very low81 Ų81135.8 Ų135.857%0.56671%0.714SS**THydrogen-bonded Turntrans-84.910.4-172.861.10000115.6I730I730-S734 WeakPolarHBondContact O-CB 3.15Å; I730-S734 PolarHBondContact O-N 3.44Å; I730-S734 VanDerWaalsContact O-N 3.08Å
735S34.8Very low31.5Very low110 Ų110134.4 Ų134.477%0.76972%0.721SS**THydrogen-bonded Turntrans-85.5-20.5-178.958.40000114.5L733L733-S735 VanDerWaalsContact C-N 3.33Å; L733-S735 PolarHBondContact O-N 3.05Å
736T31.5Very low31.6Very low115 Ų115131.6 Ų131.671%0.70671%0.712SS**SBendtrans-137.551.2-160-37.20000114.2
737L32.2Very low31.4Very low174 Ų174136 Ų13691%0.91172%0.721SS**  trans-162.9118.8147.3-111.5167.7000111
738Q29.3Very low31Very low176 Ų176135.5 Ų135.582%0.82273%0.727SS**  trans-90.4157177.9-73.1-175-12.700112.6
739S28.6Very low30.4Very low111 Ų111133.5 Ų133.578%0.77673%0.728SS**  trans78.9174.7152.583.20000118.6
740V31Very low29.9Very low116 Ų116134.7 Ų134.770%0.70373%0.73SS**  trans81.583.7176.3-168.20000117.4
741F30.4Very low29.4Very low189 Ų189139.3 Ų139.383%0.82974%0.742SS**  trans56.8154144.9-68.2-102.3000121
742N29.4Very low28.8Very low116 Ų116139.1 Ų139.162%0.6275%0.751SS**  cis-171.1142.8-36.8-143.2-40.7000108.3
743K27.5Very low28.5Very low181 Ų181139.6 Ų139.679%0.78776%0.76SS**  trans22110153-74.2171.4174.2169.90120
744K30.5Very low28.3Very low209 Ų209140.5 Ų140.591%0.90976%0.764SS**  174.6145.9101.6-95.9171.2-174.9-179.30114.9
745N26.8Very low28.3Very low153 Ų153145.1 Ų145.182%0.81878%0.776SS**  trans-100.3176.9164-135-10.1000107.8
746P34.7Very low27.8Very low92 Ų92148.9 Ų148.960%0.59778%0.779SS**  cis-141.5-169.8-11.942.8-24.5000115.8
747K24.9Very low27.5Very low191 Ų191149.7 Ų149.783%0.8379%0.786SS**  trans90.3147147.6-77.4176.4-179.2-175.10123
748S25.3Very low27.4Very low111 Ų111146.5 Ų146.578%0.77677%0.774SS**  trans86.6141150.831.60000123.1
749S24.4Very low27.6Very low98 Ų98144.6 Ų144.669%0.68577%0.774SS**  trans61.3100.6155.658.30000121.5
750E23.3Very low28.7Very low165 Ų165145.6 Ų145.677%0.77177%0.771SS**  56.4169.6114.8-63.1-175.7146.300122.9
751Y26Very low29.9Very low193 Ų193144.7 Ų144.776%0.75776%0.762SS**  trans79.285.4169.5-65.4-85.3000119.7
752S23.4Very low31.4Very low118 Ų118138.2 Ų138.283%0.82574%0.739SS**  43102.5109.1-53.90000119.1
753A27.8Very low33.3Very low92 Ų92137.8 Ų137.876%0.7673%0.731SS**  trans-137.6113.4159.400000111.7
754I25Very low35.7Very low159 Ų159133.8 Ų133.882%0.81571%0.712SS**  trans-83.5127.8169.3-62.9167000108
755Q27Very low38.1Very low178 Ų178123.8 Ų123.883%0.83267%0.669SS**  trans-128.4146.7167.5-67.8-165.4-4.700111.6
756K24.3Very low40.7Very low190 Ų190119.1 Ų119.183%0.82665%0.645SS**  trans-76.4153.4-175.9-72.4176.1174.8176.10111.2T758K756-T758 PolarHBondContact O-N 3.23Å; K756-T758 VanDerWaalsContact O-N 3.13Å
757P25.1Very low43Very low132 Ų132114.8 Ų114.886%0.85762%0.617SS**  trans-69.6106.5168.429.4-33.4000110.8
758T30.4Very low45.8Very low107 Ų107109.3 Ų109.366%0.65659%0.592SS**  trans-87.1144.915848.20000109.7K756 D760K756-T758 PolarHBondContact O-N 3.23Å; K756-T758 VanDerWaalsContact O-N 3.13Å; T758-D760 VanDerWaalsContact C-N 3.28Å; T758-D760 PolarHBondContact O-N 2.95Å; T758-D760 PolarHBondContact OG1-OD2 2.89Å
759T34.9Very low48.6Very low135 Ų135105 Ų10583%0.82856%0.558SS**  trans-86.463.2-171.553.90000112.3L761T759-L761 PolarHBondContact O-N 3.21Å
760D50.2Low51.4Low133 Ų133101.3 Ų101.371%0.71153%0.533SS*.  trans-83.9109.9174.8-65.7-64.5000110.2T758T758-D760 VanDerWaalsContact C-N 3.28Å; T758-D760 PolarHBondContact O-N 2.95Å; T758-D760 PolarHBondContact OG1-OD2 2.89Å
761L56.8Low54.4Low97 Ų9793.5 Ų93.551%0.50850%0.496SS..  trans-69.4135.2170-7687.6000109L707 T759 K763L707-L761 HydrophobicContact CD1-CD2 4.18Å; L707-L761 HydrophobicContact CD2-CD2 4.15Å; T759-L761 PolarHBondContact O-N 3.21Å; L761-K763 PolarHBondContact O-N 3.39Å
762P62.9Low57.3Low52 Ų5285.8 Ų85.834%0.33847%0.47SS..  trans-64.3132.2178.328.1-34.9000109.6T678 H720 Y764T678-P762 WeakPolarHBondContact CG2-O 3.23Å; T678-P762 PolarHBondContact OG1-O 3.46Å; H720-P762 HydrophobicContact CB-CG 4.03Å; H720-P762 VanDerWaalsContact ND1-CG 3.32Å; H720-P762 WeakPolarHBondContact ND1-CG 3.39Å; P762-Y764 PolarHBondContact O-N 3.04Å
763K69.1Low60.3Low108 Ų10880.3 Ų80.347%0.4743%0.431SS..SBendtrans-55-21.6-170.6-172-176174.7-153.90114.8D677 T678 T679 L761D677-K763 CarbonylContact C-O 3.45Å; D677-K763 WeakPolarHBondContact CA-O 3.22Å; T678-K763 PolarHBondContact N-O 3.38Å; T678-K763 WeakPolarHBondContact OG1-CA 3.46Å; T678-K763 PolarHBondContact OG1-O 3.3Å; T679-K763 HydrophobicContact CG2-CG 4.11Å; L761-K763 PolarHBondContact O-N 3.39Å
764Y78.3Confident62.9Low96 Ų9678.9 Ų78.938%0.37642%0.416SS..EExtended strand (participates in β ladder)trans-132.4147.6179.7-56.6-77.8000111.4L675 I676 D677 P721 P762L675-Y764 HydrophobicContact CD2-CD1 4.32Å; L675-Y764 HydrophobicContact CG-CD1 4.34Å; I676-Y764 WeakPolarHBondContact O-CA 3.37Å; D677-Y764 HydrophobicContact CB-CD1 4.29Å; D677-Y764 HydrophobicContact CB-CE1 4.14Å; P721-Y764 WeakPolarHBondContact CD-O 3.4Å; P762-Y764 PolarHBondContact O-N 3.04Å
765A79.4Confident65.7Low0 Ų071.3 Ų71.30%038%0.377CS..EExtended strand (participates in β ladder)trans-146.5150.6171.200000109.8I676 T678 L718 R719I676-A765 PolarHBondContact N-O 2.9Å; I676-A765 PolarHBondContact O-N 3.42Å; T678-A765 HydrophobicContact CG2-CB 3.75Å; L718-A765 HydrophobicContact CB-CB 3.87Å; L718-A765 HydrophobicContact CD1-CB 3.79Å; R719-A765 WeakPolarHBondContact O-CA 3.42Å
766V82.7Confident68.6Low55 Ų5563.4 Ų63.433%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-99.7136.9-175.9178.50000109.8D674 L675 L718 R719 Y768D674-V766 CarbonylContact O-C 3.54Å; D674-V766 WeakPolarHBondContact O-CA 3.48Å; L675-V766 HydrophobicContact CD1-CG2 3.78Å; L718-V766 CarbonylContact C-O 3.22Å; L718-V766 VanDerWaalsContact CA-O 3.28Å; L718-V766 WeakPolarHBondContact CA-O 3.42Å; R719-V766 PolarHBondContact N-O 3.36Å; R719-V766 PolarHBondContact O-N 3.08Å; V766-Y768 PolarHBondContact O-N 3.08Å; V766-Y768 VanDerWaalsContact O-N 3.09Å
767V82.6Confident71.5Confident1 Ų159.5 Ų59.51%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-63.8109171.5178.80000109.2C670 E671 G673 D674 I676 I716 L718C670-V767 HydrophobicContact CB-CG2 4.12Å; E671-V767 WeakPolarHBondContact O-CB 3.49Å; E671-V767 WeakPolarHBondContact O-CG1 3.21Å; G673-V767 PolarHBondContact N-O 2.63Å; D674-V767 HydrophobicContact CB-CB 4.21Å; D674-V767 HydrophobicContact CB-CG2 3.78Å; D674-V767 PolarHBondContact O-N 3.17Å; I676-V767 HydrophobicContact CD1-CG2 3.59Å; I676-V767 HydrophobicContact CG1-CG2 4.02Å; I716-V767 HydrophobicContact CG2-CG1 4.31Å; L718-V767 HydrophobicContact CD2-CB 4.12Å; L718-V767 HydrophobicContact CD2-CG2 3.55Å
768Y84.2Confident74.5Confident76 Ų7659.1 Ų59.130%0.29832%0.318SS..EExtended strand (participates in β ladder)trans-82.8-35.3174177.8-101.8000111.5V672 F695 L717 V766V672-Y768 WeakPolarHBondContact CG1-O 3.29Å; F695-Y768 HydrophobicContact CD1-CD1 4.16Å; F695-Y768 HydrophobicContact CD1-CE1 4.13Å; F695-Y768 AromaticContact CE1-CD1 3.39Å; F695-Y768 HydrophobicContact CE1-CD1 3.39Å; F695-Y768 AromaticContact CE1-CE1 3.81Å; F695-Y768 HydrophobicContact CE1-CE1 3.81Å; F695-Y768 AromaticContact CE1-CG 3.96Å; F695-Y768 HydrophobicContact CE1-CG 3.96Å; F695-Y768 AromaticContact CZ-CD1 3.93Å; F695-Y768 HydrophobicContact CZ-CD1 3.93Å; F695-Y768 HydrophobicContact CZ-CG 4.05Å; L717-Y768 HydrophobicContact CB-CD1 4.24Å; L717-Y768 HydrophobicContact CD1-CD1 4.26Å; L717-Y768 WeakPolarHBondContact O-CA 3.34Å; L717-Y768 WeakPolarHBondContact O-CB 3.16Å; L717-Y768 PolarHBondContact O-N 3Å; V766-Y768 PolarHBondContact O-N 3.08Å; V766-Y768 VanDerWaalsContact O-N 3.09Å
769R82.6Confident77.3Confident19 Ų1955.4 Ų55.47%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-157.5144.9175.4-149.2-173.8-71.3-86.915.2110.8I716 L717 I771 L804 D814I716-R769 WeakPolarHBondContact CA-O 3.4Å; L717-R769 HydrophobicContact CB-CB 4.19Å; L717-R769 HydrophobicContact CD1-CB 4.1Å; L717-R769 HydrophobicContact CG-CB 4.3Å; L717-R769 PolarHBondContact N-O 3.09Å; L717-R769 PolarHBondContact O-N 3.14Å; R769-I771 HydrophobicContact CB-CG1 4.41Å; R769-I771 VanDerWaalsContact CD-CG1 3.49Å; R769-I771 HydrophobicContact CG-CD1 4.42Å; R769-I771 HydrophobicContact CG-CG1 3.85Å; R769-L804 HydrophobicContact CG-CD2 3.69Å; R769-L804 PolarHBondContact NH1-O 2.92Å; R769-D814 WeakPolarHBondContact CD-OD2 3.21Å; R769-D814 IonicContact CZ-OD1 2.66Å; R769-D814 IonicContact CZ-OD2 3.2Å; R769-D814 IonicContact NE-OD1 2.87Å; R769-D814 PolarHBondContact NE-OD1 3.24Å; R769-D814 IonicContact NE-OD2 3.28Å; R769-D814 PolarHBondContact NE-OD2 3.49Å; R769-D814 IonicContact NH2-OD1 3.37Å; R769-D814 PolarHBondContact NH2-OD1 3.21Å; R769-D814 IonicContact NH2-OD2 2.94Å
770S84Confident79.9Confident22 Ų2251.1 Ų51.115%0.15427%0.267CS..EExtended strand (participates in β ladder)trans-121.1130.3162.9-173.50000107.7C670C670-S770 VanDerWaalsContact O-CB 3.31Å; C670-S770 WeakPolarHBondContact O-CB 3.38Å
771I86Confident81.8Confident0 Ų048.3 Ų48.30%026%0.258CS..EExtended strand (participates in β ladder)trans-133.4120.1-169.6-48.6144.1000109.3H714 L715 L717 R769 L773 M775 V776 Y793H714-I771 CarbonylContact C-O 3.58Å; H714-I771 WeakPolarHBondContact CA-O 3.23Å; L715-I771 HydrophobicContact CB-CB 4.42Å; L715-I771 HydrophobicContact CB-CD1 4.35Å; L715-I771 HydrophobicContact CD2-CD1 4.42Å; L715-I771 PolarHBondContact N-O 3.16Å; L715-I771 WeakPolarHBondContact O-CB 3.35Å; L715-I771 PolarHBondContact O-N 3.19Å; L717-I771 HydrophobicContact CD1-CD1 4.44Å; L717-I771 HydrophobicContact CG-CD1 4.46Å; R769-I771 HydrophobicContact CB-CG1 4.41Å; R769-I771 VanDerWaalsContact CD-CG1 3.49Å; R769-I771 HydrophobicContact CG-CD1 4.42Å; R769-I771 HydrophobicContact CG-CG1 3.85Å; I771-L773 PolarHBondContact O-N 3.22Å; I771-M775 HydrophobicContact CG2-CB 4.15Å; I771-V776 HydrophobicContact CG2-CG2 4.38Å; I771-Y793 HydrophobicContact CD1-CE1 3.73Å; I771-Y793 HydrophobicContact CD1-CE2 4.29Å; I771-Y793 VanDerWaalsContact CD1-OH 3.24Å; I771-Y793 WeakPolarHBondContact CD1-OH 3.35Å; I771-Y793 HydrophobicContact CG1-CE1 4.37Å; I771-Y793 HydrophobicContact CG2-CD1 3.78Å; I771-Y793 HydrophobicContact CG2-CE1 3.85Å; I771-Y793 HydrophobicContact CG2-CG 4.49Å
772P86.5Confident82.9Confident32 Ų3246.9 Ų46.921%0.20825%0.251CS..EExtended strand (participates in β ladder)trans-56.5136.1169.7-23.932.3000111.8S774 M775P772-S774 PolarHBondContact O-N 3.39Å; P772-S774 VanDerWaalsContact O-N 3.16Å; P772-M775 HydrophobicContact CB-CG 4.25Å; P772-M775 HydrophobicContact CG-CG 4.42Å; P772-M775 HydrophobicContact CG-SD 4.06Å; P772-M775 WeakPolarHBondContact O-CB 3.42Å; P772-M775 PolarHBondContact O-N 3.38Å
773L86.4Confident83.7Confident2 Ų255.9 Ų55.91%0.0128%0.278CS..G310 helixtrans-60.9-26.4179.9-71.8173.2000112.8L710 R713 L715 I771 M775 V776 V828 A831 I832L710-L773 HydrophobicContact CD1-CD1 4.12Å; L710-L773 HydrophobicContact CD1-CD2 3.84Å; R713-L773 WeakPolarHBondContact O-CG 3.48Å; R713-L773 PolarHBondContact O-N 3.45Å; L715-L773 HydrophobicContact CB-CD2 4.09Å; I771-L773 PolarHBondContact O-N 3.22Å; L773-M775 PolarHBondContact O-N 3.36Å; L773-V776 PolarHBondContact O-N 3.08Å; L773-V828 HydrophobicContact CD2-CG1 4.39Å; L773-A831 HydrophobicContact CD1-CB 3.92Å; L773-I832 HydrophobicContact CB-CG1 4.24Å; L773-I832 HydrophobicContact CD2-CG1 4.06Å
774S82.9Confident84Confident62 Ų6254.1 Ų54.143%0.43427%0.268SS..G310 helixtrans-65.3-15.4172.6510000114.6P772 H796P772-S774 PolarHBondContact O-N 3.39Å; P772-S774 VanDerWaalsContact O-N 3.16Å; S774-H796 PolarHBondContact O-NE2 3.16Å
775M84.8Confident84.3Confident1 Ų154.9 Ų54.91%0.00527%0.274CS..G310 helixtrans-88.4-10.9175.3-66.5-175.661.300113.3I771 P772 L773 V777 Y793 C794 P795 D800 L804I771-M775 HydrophobicContact CG2-CB 4.15Å; P772-M775 HydrophobicContact CB-CG 4.25Å; P772-M775 HydrophobicContact CG-CG 4.42Å; P772-M775 HydrophobicContact CG-SD 4.06Å; P772-M775 WeakPolarHBondContact O-CB 3.42Å; P772-M775 PolarHBondContact O-N 3.38Å; L773-M775 PolarHBondContact O-N 3.36Å; M775-V777 PolarHBondContact O-N 3.3Å; M775-Y793 CarbonylContact O-C 3.52Å; M775-Y793 VanDerWaalsContact O-CA 3.25Å; M775-Y793 WeakPolarHBondContact O-CA 3.36Å; M775-C794 WeakPolarHBondContact CB-O 3.26Å; M775-C794 WeakPolarHBondContact CG-O 3.38Å; M775-C794 PolarHBondContact O-N 3.46Å; M775-P795 HydrophobicContact CE-CB 4.05Å; M775-D800 HydrophobicContact SD-CB 4.45Å; M775-L804 HydrophobicContact CE-CD1 3.18Å; M775-L804 HydrophobicContact SD-CD1 3.96Å
776V86.3Confident84.5Confident12 Ų1256.9 Ų56.97%0.07329%0.287CS..EExtended strand (participates in β ladder)trans-86.278.5-170.5-169.70000111.3I771 L773 I779 F791 Y793 I832I771-V776 HydrophobicContact CG2-CG2 4.38Å; L773-V776 PolarHBondContact O-N 3.08Å; V776-I779 HydrophobicContact CG1-CD1 4.21Å; V776-I779 HydrophobicContact CG1-CG1 3.96Å; V776-F791 HydrophobicContact CG1-CD1 4.08Å; V776-Y793 HydrophobicContact CG2-CD1 4.16Å; V776-Y793 HydrophobicContact CG2-CE1 4.06Å; V776-I832 HydrophobicContact CB-CD1 3.85Å; V776-I832 HydrophobicContact CG1-CD1 3.91Å
777V85.6Confident84.9Confident107 Ų10756.8 Ų56.865%0.64828%0.283SS*.EExtended strand (participates in β ladder)trans-69.7-34.5-173.9-176.70000113.2M775 H792 C794M775-V777 PolarHBondContact O-N 3.3Å; V777-H792 PolarHBondContact N-O 2.64Å; V777-C794 HydrophobicContact CG2-CB 3.48Å; V777-C794 VanDerWaalsContact CG2-CB 3.48Å
778K87.7Confident85.2Confident125 Ų12557.7 Ų57.754%0.54329%0.289SS..EExtended strand (participates in β ladder)trans-145.4141.7-175.1-157-178.7-175.5174.10111.9T780 H792K778-T780 HydrophobicContact CD-CG2 3.98Å; K778-T780 HydrophobicContact CG-CG2 4Å; K778-H792 HydrophobicContact CB-CB 3.97Å; K778-H792 PolarHBondContact N-O 2.91Å; K778-H792 PolarHBondContact O-CD2 2.88Å; K778-H792 PolarHBondContact O-N 3.32Å
779I90.3Very high85.6Confident28 Ų2854.3 Ų54.314%0.14428%0.276CS..EExtended strand (participates in β ladder)trans-127.5114.9172.5-52.2176000107.8V776 I789 T790 F791 V825 V828 K829 I832V776-I779 HydrophobicContact CG1-CD1 4.21Å; V776-I779 HydrophobicContact CG1-CG1 3.96Å; I779-I789 HydrophobicContact CG2-CG2 3.58Å; I779-T790 WeakPolarHBondContact CA-O 3.27Å; I779-F791 HydrophobicContact CD1-CD1 4.02Å; I779-F791 HydrophobicContact CD1-CE1 3.84Å; I779-F791 HydrophobicContact CG1-CD1 3.82Å; I779-F791 HydrophobicContact CG1-CE1 4.1Å; I779-F791 HydrophobicContact CG2-CD1 4.21Å; I779-F791 HydrophobicContact CG2-CE1 4.08Å; I779-V825 HydrophobicContact CG2-CG1 4.08Å; I779-V825 HydrophobicContact CG2-CG2 4.01Å; I779-V828 HydrophobicContact CD1-CG1 3.99Å; I779-K829 HydrophobicContact CD1-CG 4.13Å; I779-I832 HydrophobicContact CD1-CD1 4.17Å
780T89.9Confident86Confident46 Ų4654.4 Ų54.428%0.28228%0.279SS..EExtended strand (participates in β ladder)trans-120.9123.1-178.656.70000111K778 T790 H792K778-T780 HydrophobicContact CD-CG2 3.98Å; K778-T780 HydrophobicContact CG-CG2 4Å; T780-T790 PolarHBondContact N-O 3.43Å; T780-T790 PolarHBondContact O-N 2.56Å; T780-H792 PolarHBondContact OG1-NE2 2.62Å
781S88.2Confident86.3Confident73 Ų7353.3 Ų53.351%0.5127%0.271SS..EExtended strand (participates in β ladder)trans-82.6149.8166.4520000111.1C788S781-C788 WeakPolarHBondContact CA-O 3.26Å
782N81.3Confident86.4Confident67 Ų6755.2 Ų55.236%0.35828%0.28SS..  trans-69.1136.6165.8-179.5-24.5000109.3R784 F785 C788N782-R784 VanDerWaalsContact C-N 3.34Å; N782-R784 PolarHBondContact O-N 2.91Å; N782-R784 PolarHBondContact OD1-N 2.92Å; N782-F785 HydrophobicContact CB-CB 4.43Å; N782-F785 WeakPolarHBondContact CB-O 3.48Å; N782-F785 CarbonylContact O-C 3.58Å; N782-F785 VanDerWaalsContact O-C 3.3Å; N782-F785 PolarHBondContact O-N 2.86Å; N782-C788 HydrophobicContact CB-CB 4.09Å; N782-C788 PolarHBondContact N-O 3.45Å
783R78.2Confident86.4Confident242 Ų24254.6 Ų54.691%0.91327%0.274SS*.SBendtrans-61.9-37178.3-73.3-175.9176.2176.6-0.8113.1
784R77Confident85.9Confident71 Ų7157.4 Ų57.427%0.26829%0.293SS..SBendtrans-80-37.4179.2-61.3-178.6178.7-157.9-4.6112.1S347 Q351 N782S347-R784 PolarHBondContact O-NH2 3.36Å; S347-R784 PolarHBondContact OG-NH1 3.37Å; Q351-R784 VanDerWaalsContact OE1-CZ 3.24Å; N782-R784 VanDerWaalsContact C-N 3.34Å; N782-R784 PolarHBondContact O-N 2.91Å; N782-R784 PolarHBondContact OD1-N 2.92Å
785F83.2Confident85.2Confident111 Ų11156.3 Ų56.349%0.48728%0.284SS..  trans-12786.4-175.1-60.8-73.2000110.1N782 E787 C788N782-F785 HydrophobicContact CB-CB 4.43Å; N782-F785 WeakPolarHBondContact CB-O 3.48Å; N782-F785 CarbonylContact O-C 3.58Å; N782-F785 VanDerWaalsContact O-C 3.3Å; N782-F785 PolarHBondContact O-N 2.86Å; F785-E787 PolarHBondContact O-N 2.74Å; F785-C788 HydrophobicContact CB-CB 4.13Å; F785-C788 WeakPolarHBondContact O-CB 3.25Å; F785-C788 PolarHBondContact O-N 2.96Å
786P85.2Confident84Confident43 Ų4362.2 Ų62.228%0.27931%0.311SS..THydrogen-bonded Turntrans-64.5-22.3-17726.9-34.8000113F537 C788 I789 A821F537-P786 HydrophobicContact CE2-CG 3.54Å; F537-P786 VanDerWaalsContact CZ-CD 3.46Å; F537-P786 HydrophobicContact CZ-CG 3.9Å; P786-C788 PolarHBondContact O-N 2.99Å; P786-I789 VanDerWaalsContact O-CD1 3.24Å; P786-I789 WeakPolarHBondContact O-CD1 3.42Å; P786-A821 VanDerWaalsContact O-CB 3.29Å; P786-A821 WeakPolarHBondContact O-CB 3.43Å
787E89.8Confident82.6Confident53 Ų5367.7 Ų67.725%0.24834%0.34CS..THydrogen-bonded Turntrans-67.7-18.5171.5-54.4-40.712700113.1F785 I789 Y817 I818 K820 A821F785-E787 PolarHBondContact O-N 2.74Å; E787-I789 PolarHBondContact O-N 2.94Å; E787-Y817 HydrophobicContact CB-CD2 4.1Å; E787-Y817 HydrophobicContact CB-CE2 3.72Å; E787-Y817 CarbonylContact O-C 3.52Å; E787-Y817 WeakPolarHBondContact O-CA 3.42Å; E787-I818 WeakPolarHBondContact CB-O 3.25Å; E787-I818 PolarHBondContact O-N 3.17Å; E787-K820 PolarHBondContact OE2-N 3.04Å; E787-A821 WeakPolarHBondContact OE2-CB 3.29Å; E787-A821 PolarHBondContact OE2-N 2.69Å
788C89.4Confident80.7Confident20 Ų2070.4 Ų70.414%0.13535%0.346CS..EExtended strand (participates in β ladder)trans-87.299172.2-66.80000110.5L696 S781 N782 F785 P786 L816L696-C788 HydrophobicContact CD1-CB 3.99Å; S781-C788 WeakPolarHBondContact CA-O 3.26Å; N782-C788 HydrophobicContact CB-CB 4.09Å; N782-C788 PolarHBondContact N-O 3.45Å; F785-C788 HydrophobicContact CB-CB 4.13Å; F785-C788 WeakPolarHBondContact O-CB 3.25Å; F785-C788 PolarHBondContact O-N 2.96Å; P786-C788 PolarHBondContact O-N 2.99Å; C788-L816 CarbonylContact C-O 3.46Å; C788-L816 WeakPolarHBondContact CA-O 3.46Å
789I91.8Very high78.8Confident4 Ų466.6 Ų66.62%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-99.6137.8178.1-58.7-54.4000110.7I779 P786 E787 F791 L816 I818 A821 V825I779-I789 HydrophobicContact CG2-CG2 3.58Å; P786-I789 VanDerWaalsContact O-CD1 3.24Å; P786-I789 WeakPolarHBondContact O-CD1 3.42Å; E787-I789 PolarHBondContact O-N 2.94Å; I789-F791 HydrophobicContact CB-CE2 4.19Å; I789-F791 HydrophobicContact CG2-CD2 3.85Å; I789-F791 HydrophobicContact CG2-CE1 4.38Å; I789-F791 HydrophobicContact CG2-CE2 3.44Å; I789-F791 VanDerWaalsContact CG2-CE2 3.44Å; I789-F791 HydrophobicContact CG2-CG 4.47Å; I789-F791 HydrophobicContact CG2-CZ 3.74Å; I789-L816 PolarHBondContact N-O 3.49Å; I789-L816 PolarHBondContact O-N 3.24Å; I789-I818 HydrophobicContact CB-CD1 4.02Å; I789-I818 HydrophobicContact CG1-CD1 4.03Å; I789-A821 HydrophobicContact CD1-CB 3.88Å; I789-A821 HydrophobicContact CG1-CB 3.61Å; I789-V825 HydrophobicContact CD1-CG2 3.65Å; I789-V825 HydrophobicContact CG1-CG2 3.73Å; I789-V825 HydrophobicContact CG2-CG2 4Å
790T91Very high76.9Confident21 Ų2167.2 Ų67.213%0.12935%0.346CS..EExtended strand (participates in β ladder)trans-115.4120.5168.8-50.90000109.2I779 T780 H792 K813 D814 R815I779-T790 WeakPolarHBondContact CA-O 3.27Å; T780-T790 PolarHBondContact N-O 3.43Å; T780-T790 PolarHBondContact O-N 2.56Å; T790-H792 PolarHBondContact O-CD2 3.18Å; T790-K813 HydrophobicContact CG2-CB 3.87Å; T790-K813 HydrophobicContact CG2-CD 4.21Å; T790-K813 HydrophobicContact CG2-CG 4.2Å; T790-D814 WeakPolarHBondContact CA-O 3.23Å; T790-R815 HydrophobicContact CG2-CG 3.85Å
791F91Very high74.7Confident0 Ų068.7 Ų68.70%035%0.351CS..EExtended strand (participates in β ladder)trans-94.5131.4170.9-63.6-93.3000107.8L708 L715 V776 I779 I789 Y793 K813 D814 L816 I818 V828L708-F791 HydrophobicContact CD2-CE2 4.11Å; L708-F791 HydrophobicContact CD2-CZ 3.89Å; L715-F791 HydrophobicContact CD2-CD1 3.81Å; L715-F791 HydrophobicContact CD2-CE1 3.87Å; L715-F791 HydrophobicContact CD2-CG 4.3Å; L715-F791 HydrophobicContact CD2-CZ 4.38Å; V776-F791 HydrophobicContact CG1-CD1 4.08Å; I779-F791 HydrophobicContact CD1-CD1 4.02Å; I779-F791 HydrophobicContact CD1-CE1 3.84Å; I779-F791 HydrophobicContact CG1-CD1 3.82Å; I779-F791 HydrophobicContact CG1-CE1 4.1Å; I779-F791 HydrophobicContact CG2-CD1 4.21Å; I779-F791 HydrophobicContact CG2-CE1 4.08Å; I789-F791 HydrophobicContact CB-CE2 4.19Å; I789-F791 HydrophobicContact CG2-CD2 3.85Å; I789-F791 HydrophobicContact CG2-CE1 4.38Å; I789-F791 HydrophobicContact CG2-CE2 3.44Å; I789-F791 VanDerWaalsContact CG2-CE2 3.44Å; I789-F791 HydrophobicContact CG2-CG 4.47Å; I789-F791 HydrophobicContact CG2-CZ 3.74Å; F791-Y793 HydrophobicContact CB-CE1 3.77Å; F791-Y793 HydrophobicContact CB-CE2 4.4Å; F791-Y793 VanDerWaalsContact CB-OH 3.23Å; F791-Y793 WeakPolarHBondContact CB-OH 3.44Å; F791-K813 CarbonylContact O-C 3.5Å; F791-K813 WeakPolarHBondContact O-CA 3.49Å; F791-K813 VanDerWaalsContact O-CB 3.31Å; F791-K813 WeakPolarHBondContact O-CB 3.25Å; F791-D814 PolarHBondContact N-O 3.02Å; F791-D814 PolarHBondContact O-N 3.19Å; F791-L816 HydrophobicContact CD2-CD1 4.18Å; F791-L816 HydrophobicContact CE2-CD1 4Å; F791-I818 HydrophobicContact CE2-CD1 4.24Å; F791-V828 HydrophobicContact CE1-CG1 4.12Å; F791-V828 HydrophobicContact CE1-CG2 4.5Å
792H88Confident72.4Confident40 Ų4072 Ų7219%0.18536%0.361CS..EExtended strand (participates in β ladder)trans-113.9137.6178.7-51.3-117.7000108.8V777 K778 T780 T790V777-H792 PolarHBondContact N-O 2.64Å; K778-H792 HydrophobicContact CB-CB 3.97Å; K778-H792 PolarHBondContact N-O 2.91Å; K778-H792 PolarHBondContact O-CD2 2.88Å; K778-H792 PolarHBondContact O-N 3.32Å; T780-H792 PolarHBondContact OG1-NE2 2.62Å; T790-H792 PolarHBondContact O-CD2 3.18Å
793Y86.1Confident70.8Confident19 Ų1976.1 Ų76.18%0.07538%0.376CS..EExtended strand (participates in β ladder)trans-120.3148.2-170.5-47.8-64.8000112I771 M775 V776 F791 M812 D814I771-Y793 HydrophobicContact CD1-CE1 3.73Å; I771-Y793 HydrophobicContact CD1-CE2 4.29Å; I771-Y793 VanDerWaalsContact CD1-OH 3.24Å; I771-Y793 WeakPolarHBondContact CD1-OH 3.35Å; I771-Y793 HydrophobicContact CG1-CE1 4.37Å; I771-Y793 HydrophobicContact CG2-CD1 3.78Å; I771-Y793 HydrophobicContact CG2-CE1 3.85Å; I771-Y793 HydrophobicContact CG2-CG 4.49Å; M775-Y793 CarbonylContact O-C 3.52Å; M775-Y793 VanDerWaalsContact O-CA 3.25Å; M775-Y793 WeakPolarHBondContact O-CA 3.36Å; V776-Y793 HydrophobicContact CG2-CD1 4.16Å; V776-Y793 HydrophobicContact CG2-CE1 4.06Å; F791-Y793 HydrophobicContact CB-CE1 3.77Å; F791-Y793 HydrophobicContact CB-CE2 4.4Å; F791-Y793 VanDerWaalsContact CB-OH 3.23Å; F791-Y793 WeakPolarHBondContact CB-OH 3.44Å; Y793-M812 HydrophobicContact CD2-CB 4.5Å; Y793-M812 PolarHBondContact N-O 3.36Å; Y793-D814 HydrophobicContact CE2-CB 4.01Å; Y793-D814 WeakPolarHBondContact CE2-OD2 3.35Å; Y793-D814 PolarHBondContact OH-OD2 3Å
794C77.5Confident69.4Low61 Ų6165 Ų6541%0.41234%0.335SS..  trans-129.6124.8166.9-167.90000109M775 V777M775-C794 WeakPolarHBondContact CB-O 3.26Å; M775-C794 WeakPolarHBondContact CG-O 3.38Å; M775-C794 PolarHBondContact O-N 3.46Å; V777-C794 HydrophobicContact CG2-CB 3.48Å; V777-C794 VanDerWaalsContact CG2-CB 3.48Å
795P66.7Low68.1Low38 Ų3866.4 Ų66.425%0.24735%0.348CS..  trans-68.4152.9167.331.4-34000110.1M775 D800 M801M775-P795 HydrophobicContact CE-CB 4.05Å; P795-D800 HydrophobicContact CB-CB 4.07Å; P795-M801 HydrophobicContact CB-CG 4.18Å; P795-M801 HydrophobicContact CG-CG 4Å; P795-M801 HydrophobicContact CG-SD 4.37Å
796H59.2Low66.1Low126 Ų12668 Ų6858%0.58336%0.361SS*.SBendtrans-99.3-29.2173.9-67.4-80.5000112.2S774S774-H796 PolarHBondContact O-NE2 3.16Å
797D56.8Low64.1Low126 Ų12673.3 Ų73.367%0.67438%0.382SS*.SBendtrans-131.9157.3176.2-90.8-53.7000111.6G799 D800D797-G799 PolarHBondContact O-N 3.25Å; D797-D800 PolarHBondContact O-N 3.17Å; D797-D800 VanDerWaalsContact O-N 3.1Å
798E47.4Very low61.6Low164 Ų16475.9 Ų75.977%0.76641%0.406SS*.Hα-helixtrans-58.5-30175-67.1-165.2140.300112.7D800 M801E798-D800 VanDerWaalsContact C-N 3.26Å; E798-D800 PolarHBondContact O-N 3.29Å; E798-M801 WeakPolarHBondContact O-CB 3.22Å; E798-M801 PolarHBondContact O-N 2.89Å; E798-M801 VanDerWaalsContact O-N 3.12Å
799G47.4Very low58.9Low46 Ų4682.4 Ų82.447%0.47444%0.439SS..Hα-helixtrans-62.8-27176.900000114.4D797D797-G799 PolarHBondContact O-N 3.25Å
800D50.3Low56.2Low41 Ų4191.5 Ų91.522%0.21948%0.479CS..Hα-helixtrans-76.3-26.4175.5-78-27.2000112.2M775 P795 D797 E798 L802 K803M775-D800 HydrophobicContact SD-CB 4.45Å; P795-D800 HydrophobicContact CB-CB 4.07Å; D797-D800 PolarHBondContact O-N 3.17Å; D797-D800 VanDerWaalsContact O-N 3.1Å; E798-D800 VanDerWaalsContact C-N 3.26Å; E798-D800 PolarHBondContact O-N 3.29Å; D800-L802 VanDerWaalsContact C-N 3.27Å; D800-L802 PolarHBondContact O-N 3.49Å; D800-K803 PolarHBondContact O-N 3.02Å
801M44.1Very low54.4Low77 Ų7793.9 Ų93.938%0.37950%0.497SS..Hα-helixtrans-61.2-38.3176.8-62.5-138.4-64.900111.8P795 E798 K803 L804P795-M801 HydrophobicContact CB-CG 4.18Å; P795-M801 HydrophobicContact CG-CG 4Å; P795-M801 HydrophobicContact CG-SD 4.37Å; E798-M801 WeakPolarHBondContact O-CB 3.22Å; E798-M801 PolarHBondContact O-N 2.89Å; E798-M801 VanDerWaalsContact O-N 3.12Å; M801-K803 VanDerWaalsContact C-N 3.25Å; M801-K803 PolarHBondContact O-N 2.81Å; M801-L804 PolarHBondContact O-N 2.79Å; M801-L804 VanDerWaalsContact O-N 3.12Å
802L40Very low53.4Low141 Ų14196.2 Ų96.274%0.73851%0.508SS*.THydrogen-bonded Turntrans-66.8-23-179-66.1174.8000113.5D800D800-L802 VanDerWaalsContact C-N 3.27Å; D800-L802 PolarHBondContact O-N 3.49Å
803K47.2Very low53.2Low154 Ų15499.2 Ų99.267%0.6752%0.52SS*.THydrogen-bonded Turntrans-85.1-8.1175.8-67.7179.4-178.61700113.6D800 M801D800-K803 PolarHBondContact O-N 3.02Å; M801-K803 VanDerWaalsContact C-N 3.25Å; M801-K803 PolarHBondContact O-N 2.81Å
804L49Very low53.3Low9 Ų998.8 Ų98.85%0.04752%0.52CS..SBendtrans-117.222.1-164.8-75.2169.3000115.4R769 M775 M801 M812R769-L804 HydrophobicContact CG-CD2 3.69Å; R769-L804 PolarHBondContact NH1-O 2.92Å; M775-L804 HydrophobicContact CE-CD1 3.18Å; M775-L804 HydrophobicContact SD-CD1 3.96Å; M801-L804 PolarHBondContact O-N 2.79Å; M801-L804 VanDerWaalsContact O-N 3.12Å; L804-M812 HydrophobicContact CB-CE 4.4Å; L804-M812 HydrophobicContact CB-SD 4.41Å
805N48.9Very low53.8Low100 Ų100100.4 Ų100.454%0.53552%0.517SS..  trans62.3109.9173.5-103.4-31.4000113.9Q807N805-Q807 PolarHBondContact O-N 3.24Å
806N40.8Very low55Low145 Ų14598.6 Ų98.678%0.77551%0.505SS*.  trans-50.786.4-175.2-66.7-15.8000114.5
807Q43.3Very low56.6Low154 Ų15496 Ų9672%0.7249%0.491SS*.  trans-118.2138.5165.3-72.2-167.6-34.500109.4N805 L809N805-Q807 PolarHBondContact O-N 3.24Å; Q807-L809 PolarHBondContact O-N 2.85Å
808S38.4Very low58.3Low107 Ų10790 Ų9075%0.74846%0.459SS*.  trans-72.5109.6-156.952.80000115.1F810S808-F810 PolarHBondContact O-N 3.36Å
809L32.1Very low60.1Low158 Ų15887.3 Ų87.383%0.82745%0.45SS*.SBendtrans54-8.4142.9-77.2164.1000121.4Q807Q807-L809 PolarHBondContact O-N 2.85Å
810F35.7Very low62Low194 Ų19490 Ų9085%0.85145%0.448SS*.SBendtrans-138.5119.2177.1-78.5-87.8000112S808S808-F810 PolarHBondContact O-N 3.36Å
811S53.2Low63.8Low72 Ų7288.1 Ų88.150%0.50344%0.438SS..  trans61.670.7170.1-169.10000115.5K813S811-K813 PolarHBondContact O-N 2.87Å; S811-K813 WeakPolarHBondContact OG-CD 3.44Å; S811-K813 PolarHBondContact OG-NZ 3.14Å
812M70.2Confident66Low49 Ų4987.3 Ų87.324%0.24145%0.45CS..  trans-59.6117.3164.3-74.8-169.7178.300110.5Y793 L804Y793-M812 HydrophobicContact CD2-CB 4.5Å; Y793-M812 PolarHBondContact N-O 3.36Å; L804-M812 HydrophobicContact CB-CE 4.4Å; L804-M812 HydrophobicContact CB-SD 4.41Å
813K83.5Confident68.4Low102 Ų10284.1 Ų84.144%0.44343%0.431SS..EExtended strand (participates in β ladder)trans-154.4136.9179.163.7-162.4162.5-151.10112.5T790 F791 S811T790-K813 HydrophobicContact CG2-CB 3.87Å; T790-K813 HydrophobicContact CG2-CD 4.21Å; T790-K813 HydrophobicContact CG2-CG 4.2Å; F791-K813 CarbonylContact O-C 3.5Å; F791-K813 WeakPolarHBondContact O-CA 3.49Å; F791-K813 VanDerWaalsContact O-CB 3.31Å; F791-K813 WeakPolarHBondContact O-CB 3.25Å; S811-K813 PolarHBondContact O-N 2.87Å; S811-K813 WeakPolarHBondContact OG-CD 3.44Å; S811-K813 PolarHBondContact OG-NZ 3.14Å
814D87Confident70.4Confident11 Ų1176.8 Ų76.86%0.05940%0.399CS..EExtended strand (participates in β ladder)trans-103.1130.1169-71-37.9000110L717 R769 T790 F791 Y793L717-D814 HydrophobicContact CD1-CB 4.11Å; L717-D814 WeakPolarHBondContact CD1-OD2 3.47Å; R769-D814 WeakPolarHBondContact CD-OD2 3.21Å; R769-D814 IonicContact CZ-OD1 2.66Å; R769-D814 IonicContact CZ-OD2 3.2Å; R769-D814 IonicContact NE-OD1 2.87Å; R769-D814 PolarHBondContact NE-OD1 3.24Å; R769-D814 IonicContact NE-OD2 3.28Å; R769-D814 PolarHBondContact NE-OD2 3.49Å; R769-D814 IonicContact NH2-OD1 3.37Å; R769-D814 PolarHBondContact NH2-OD1 3.21Å; R769-D814 IonicContact NH2-OD2 2.94Å; T790-D814 WeakPolarHBondContact CA-O 3.23Å; F791-D814 PolarHBondContact N-O 3.02Å; F791-D814 PolarHBondContact O-N 3.19Å; Y793-D814 HydrophobicContact CE2-CB 4.01Å; Y793-D814 WeakPolarHBondContact CE2-OD2 3.35Å; Y793-D814 PolarHBondContact OH-OD2 3Å
815R89.7Confident72.5Confident95 Ų9577.4 Ų77.436%0.35840%0.404SS..EExtended strand (participates in β ladder)trans-103.1122.2176.8-60.5175.473.7-169.94.5108.6L696 P698 T790L696-R815 HydrophobicContact CB-CB 3.72Å; L696-R815 WeakPolarHBondContact CB-O 3.09Å; L696-R815 HydrophobicContact CD1-CB 4.13Å; L696-R815 PolarHBondContact N-O 2.72Å; P698-R815 PolarHBondContact O-NH1 2.87Å; T790-R815 HydrophobicContact CG2-CG 3.85Å
816L91.8Very high74.5Confident0 Ų079.8 Ų79.80%041%0.409CS..EExtended strand (participates in β ladder)trans-130.2133.8-176.3-57.6175.7000110.4R694 F695 L708 L717 C788 I789 F791 I818R694-L816 WeakPolarHBondContact O-CA 3.5Å; F695-L816 HydrophobicContact CD1-CD2 3.61Å; F695-L816 HydrophobicContact CE1-CD2 3.93Å; F695-L816 HydrophobicContact CG-CD2 4.25Å; L708-L816 HydrophobicContact CD1-CD1 4.11Å; L717-L816 HydrophobicContact CD2-CD1 3.62Å; C788-L816 CarbonylContact C-O 3.46Å; C788-L816 WeakPolarHBondContact CA-O 3.46Å; I789-L816 PolarHBondContact N-O 3.49Å; I789-L816 PolarHBondContact O-N 3.24Å; F791-L816 HydrophobicContact CD2-CD1 4.18Å; F791-L816 HydrophobicContact CE2-CD1 4Å; L816-I818 HydrophobicContact CB-CD1 4.25Å; L816-I818 HydrophobicContact CB-CG1 3.97Å
817Y92Very high76.9Confident71 Ų7175.6 Ų75.628%0.27839%0.385SS..EExtended strand (participates in β ladder)trans-87.5128.4161.5174.1-89.6000108.7T693 R694 L702 E787 N819T693-Y817 CarbonylContact C-O 3.57Å; T693-Y817 WeakPolarHBondContact CA-O 3.38Å; T693-Y817 WeakPolarHBondContact CB-O 3.41Å; R694-Y817 PolarHBondContact N-O 3.46Å; R694-Y817 PolarHBondContact O-N 3.13Å; L702-Y817 HydrophobicContact CD2-CD1 4.07Å; L702-Y817 HydrophobicContact CD2-CD2 4.37Å; L702-Y817 HydrophobicContact CD2-CG 3.72Å; E787-Y817 HydrophobicContact CB-CD2 4.1Å; E787-Y817 HydrophobicContact CB-CE2 3.72Å; E787-Y817 CarbonylContact O-C 3.52Å; E787-Y817 WeakPolarHBondContact O-CA 3.42Å; Y817-N819 WeakPolarHBondContact CE1-OD1 3.47Å; Y817-N819 PolarHBondContact OH-OD1 3.24Å
818I92.1Very high79.1Confident1 Ų168.2 Ų68.21%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-135.5116.7-171.7-43.9-177.6000108.5F691 T693 L708 E787 I789 F791 L816 K820 A821 A824F691-I818 HydrophobicContact CB-CG2 3.91Å; F691-I818 HydrophobicContact CG-CG2 4.49Å; T693-I818 HydrophobicContact CG2-CB 4.24Å; T693-I818 HydrophobicContact CG2-CD1 4.32Å; T693-I818 HydrophobicContact CG2-CG1 3.75Å; T693-I818 HydrophobicContact CG2-CG2 4.09Å; L708-I818 HydrophobicContact CD2-CD1 3.67Å; E787-I818 WeakPolarHBondContact CB-O 3.25Å; E787-I818 PolarHBondContact O-N 3.17Å; I789-I818 HydrophobicContact CB-CD1 4.02Å; I789-I818 HydrophobicContact CG1-CD1 4.03Å; F791-I818 HydrophobicContact CE2-CD1 4.24Å; L816-I818 HydrophobicContact CB-CD1 4.25Å; L816-I818 HydrophobicContact CB-CG1 3.97Å; I818-K820 PolarHBondContact O-N 3.4Å; I818-A821 HydrophobicContact CB-CB 4.27Å; I818-A821 PolarHBondContact O-N 3.07Å; I818-A824 HydrophobicContact CD1-CB 4.48Å; I818-A824 HydrophobicContact CG2-CB 4.15Å
819N84.9Confident81.6Confident106 Ų10668.7 Ų68.757%0.56734%0.34SS*.THydrogen-bonded Turntrans-63-0.9-176.5-82.4-19.9000116.4Y817Y817-N819 WeakPolarHBondContact CE1-OD1 3.47Å; Y817-N819 PolarHBondContact OH-OD1 3.24Å
820K87.9Confident84.3Confident102 Ų10264.9 Ų64.944%0.44332%0.323SS..THydrogen-bonded Turntrans-147.741.4-176.2-75.6-176.4142-147.70109.9F691 E787 I818 G822 E823 A824F691-K820 HydrophobicContact CD1-CB 4.37Å; E787-K820 PolarHBondContact OE2-N 3.04Å; I818-K820 PolarHBondContact O-N 3.4Å; K820-G822 PolarHBondContact O-N 3.07Å; K820-G822 VanDerWaalsContact O-N 3.17Å; K820-E823 HydrophobicContact CB-CB 4.32Å; K820-E823 WeakPolarHBondContact CD-OE2 3.23Å; K820-E823 VanDerWaalsContact CE-OE2 3.24Å; K820-E823 WeakPolarHBondContact CE-OE2 3.2Å; K820-E823 IonicContact NZ-OE1 3.18Å; K820-E823 PolarHBondContact NZ-OE1 3.38Å; K820-E823 IonicContact NZ-OE2 3.67Å; K820-E823 PolarHBondContact NZ-OE2 3.34Å; K820-E823 WeakPolarHBondContact O-CB 3.34Å; K820-E823 PolarHBondContact O-N 3.43Å; K820-A824 PolarHBondContact O-N 3.15Å
821A89.1Confident86.7Confident2 Ų256.2 Ų56.22%0.01729%0.287CS..Hα-helixtrans-56.6-36.5-170.600000113.5P786 E787 I789 I818 E823 A824 V825P786-A821 VanDerWaalsContact O-CB 3.29Å; P786-A821 WeakPolarHBondContact O-CB 3.43Å; E787-A821 WeakPolarHBondContact OE2-CB 3.29Å; E787-A821 PolarHBondContact OE2-N 2.69Å; I789-A821 HydrophobicContact CD1-CB 3.88Å; I789-A821 HydrophobicContact CG1-CB 3.61Å; I818-A821 HydrophobicContact CB-CB 4.27Å; I818-A821 PolarHBondContact O-N 3.07Å; A821-E823 VanDerWaalsContact C-N 3.29Å; A821-E823 PolarHBondContact O-N 3.38Å; A821-A824 PolarHBondContact O-N 2.86Å; A821-V825 VanDerWaalsContact O-CB 3.3Å; A821-V825 WeakPolarHBondContact O-CB 3.16Å; A821-V825 VanDerWaalsContact O-CG2 3.27Å; A821-V825 WeakPolarHBondContact O-CG2 3.4Å; A821-V825 PolarHBondContact O-N 3.3Å
822G88.5Confident88.3Confident60 Ų6054.3 Ų54.362%0.61927%0.271SS*.Hα-helixtrans-61.3-33.1175.900000114.3K820 K826K820-G822 PolarHBondContact O-N 3.07Å; K820-G822 VanDerWaalsContact O-N 3.17Å; G822-K826 VanDerWaalsContact O-CB 3.28Å; G822-K826 WeakPolarHBondContact O-CB 3.24Å; G822-K826 PolarHBondContact O-N 2.83Å
823E90.4Very high88.9Confident74 Ų7459.5 Ų59.535%0.34629%0.292SS..Hα-helixtrans-78.3-46176.1-168.7176.4158.300110.5F691 K820 A821 K826 M827F691-E823 HydrophobicContact CE1-CB 4.23Å; F691-E823 HydrophobicContact CE1-CG 4.1Å; K820-E823 HydrophobicContact CB-CB 4.32Å; K820-E823 WeakPolarHBondContact CD-OE2 3.23Å; K820-E823 VanDerWaalsContact CE-OE2 3.24Å; K820-E823 WeakPolarHBondContact CE-OE2 3.2Å; K820-E823 IonicContact NZ-OE1 3.18Å; K820-E823 PolarHBondContact NZ-OE1 3.38Å; K820-E823 IonicContact NZ-OE2 3.67Å; K820-E823 PolarHBondContact NZ-OE2 3.34Å; K820-E823 WeakPolarHBondContact O-CB 3.34Å; K820-E823 PolarHBondContact O-N 3.43Å; A821-E823 VanDerWaalsContact C-N 3.29Å; A821-E823 PolarHBondContact O-N 3.38Å; E823-K826 PolarHBondContact O-N 3.11Å; E823-M827 HydrophobicContact CG-SD 4.21Å; E823-M827 PolarHBondContact O-N 2.84Å
824A90.5Very high88.8Confident0 Ų058.8 Ų58.80%030%0.297CS..Hα-helixtrans-60.4-52.517800000112.6F691 L708 I818 K820 A821 K826 M827 V828F691-A824 HydrophobicContact CD1-CB 3.84Å; F691-A824 HydrophobicContact CD2-CB 3.72Å; F691-A824 HydrophobicContact CE1-CB 3.86Å; F691-A824 HydrophobicContact CE2-CB 3.74Å; F691-A824 HydrophobicContact CG-CB 3.77Å; F691-A824 VanDerWaalsContact CZ-CA 3.41Å; F691-A824 HydrophobicContact CZ-CB 3.82Å; L708-A824 HydrophobicContact CD2-CB 4.41Å; I818-A824 HydrophobicContact CD1-CB 4.48Å; I818-A824 HydrophobicContact CG2-CB 4.15Å; K820-A824 PolarHBondContact O-N 3.15Å; A821-A824 PolarHBondContact O-N 2.86Å; A824-K826 VanDerWaalsContact C-N 3.29Å; A824-K826 PolarHBondContact O-N 3.46Å; A824-M827 PolarHBondContact O-N 2.79Å; A824-V828 WeakPolarHBondContact O-CG2 3.44Å; A824-V828 PolarHBondContact O-N 2.92Å
825V91.8Very high88.2Confident23 Ų2360.4 Ų60.414%0.13931%0.307CS..Hα-helixtrans-63.6-35.4179.6173.60000111.2I779 I789 A821 K829I779-V825 HydrophobicContact CG2-CG1 4.08Å; I779-V825 HydrophobicContact CG2-CG2 4.01Å; I789-V825 HydrophobicContact CD1-CG2 3.65Å; I789-V825 HydrophobicContact CG1-CG2 3.73Å; I789-V825 HydrophobicContact CG2-CG2 4Å; A821-V825 VanDerWaalsContact O-CB 3.3Å; A821-V825 WeakPolarHBondContact O-CB 3.16Å; A821-V825 VanDerWaalsContact O-CG2 3.27Å; A821-V825 WeakPolarHBondContact O-CG2 3.4Å; A821-V825 PolarHBondContact O-N 3.3Å; V825-K829 HydrophobicContact CG1-CD 3.98Å; V825-K829 HydrophobicContact CG1-CG 4.33Å; V825-K829 VanDerWaalsContact O-CB 3.26Å; V825-K829 WeakPolarHBondContact O-CB 3.46Å; V825-K829 VanDerWaalsContact O-CG 3.24Å; V825-K829 WeakPolarHBondContact O-CG 3.5Å; V825-K829 PolarHBondContact O-N 3.04Å
826K91.4Very high87.1Confident149 Ų14957.8 Ų57.865%0.64830%0.302SS*.Hα-helixtrans-63.4-50.2174-176.6-179.1178.4-175.20110.9G822 E823 A824 K829 T830G822-K826 VanDerWaalsContact O-CB 3.28Å; G822-K826 WeakPolarHBondContact O-CB 3.24Å; G822-K826 PolarHBondContact O-N 2.83Å; E823-K826 PolarHBondContact O-N 3.11Å; A824-K826 VanDerWaalsContact C-N 3.29Å; A824-K826 PolarHBondContact O-N 3.46Å; K826-K829 PolarHBondContact O-N 3.1Å; K826-T830 PolarHBondContact O-N 3.4Å; K826-T830 PolarHBondContact O-OG1 3.14Å
827M90.5Very high85.4Confident57 Ų5759.8 Ų59.828%0.28132%0.318SS..Hα-helixtrans-64.5-43.2-178.9-76.4169.749.500112.6R688 F691 L710 E823 A824 T830 A831R688-M827 WeakPolarHBondContact O-CE 3.26Å; F691-M827 HydrophobicContact CE2-CE 4.17Å; F691-M827 HydrophobicContact CZ-CE 3.79Å; F691-M827 HydrophobicContact CZ-SD 3.75Å; L710-M827 HydrophobicContact CD2-CB 4.04Å; E823-M827 HydrophobicContact CG-SD 4.21Å; E823-M827 PolarHBondContact O-N 2.84Å; A824-M827 PolarHBondContact O-N 2.79Å; M827-T830 PolarHBondContact O-N 3.18Å; M827-A831 WeakPolarHBondContact O-CB 3.41Å; M827-A831 PolarHBondContact O-N 3.21Å
828V90.5Very high83.8Confident0 Ų060.3 Ų60.30%033%0.33CS..Hα-helixtrans-64.3-43.3175.9178.70000111L710 L715 L773 I779 F791 A824 T830 A831 I832L710-V828 HydrophobicContact CD1-CG2 4.3Å; L710-V828 HydrophobicContact CD2-CG2 4.23Å; L715-V828 HydrophobicContact CD1-CG1 4.17Å; L715-V828 HydrophobicContact CD1-CG2 3.63Å; L773-V828 HydrophobicContact CD2-CG1 4.39Å; I779-V828 HydrophobicContact CD1-CG1 3.99Å; F791-V828 HydrophobicContact CE1-CG1 4.12Å; F791-V828 HydrophobicContact CE1-CG2 4.5Å; A824-V828 WeakPolarHBondContact O-CG2 3.44Å; A824-V828 PolarHBondContact O-N 2.92Å; V828-T830 PolarHBondContact O-N 3.25Å; V828-A831 PolarHBondContact O-N 3.25Å; V828-I832 HydrophobicContact CG1-CD1 3.84Å; V828-I832 HydrophobicContact CG1-CG1 4.31Å; V828-I832 VanDerWaalsContact O-CG1 3.3Å; V828-I832 WeakPolarHBondContact O-CG1 3.32Å; V828-I832 PolarHBondContact O-N 3.2Å
829K89.8Confident81.8Confident117 Ų11766.9 Ų66.951%0.50937%0.365SS..Hα-helixtrans-61.9-41.1175.3-77.6-178.3176.9-173.30112.7I779 V825 K826 F833I779-K829 HydrophobicContact CD1-CG 4.13Å; V825-K829 HydrophobicContact CG1-CD 3.98Å; V825-K829 HydrophobicContact CG1-CG 4.33Å; V825-K829 VanDerWaalsContact O-CB 3.26Å; V825-K829 WeakPolarHBondContact O-CB 3.46Å; V825-K829 VanDerWaalsContact O-CG 3.24Å; V825-K829 WeakPolarHBondContact O-CG 3.5Å; V825-K829 PolarHBondContact O-N 3.04Å; K826-K829 PolarHBondContact O-N 3.1Å; K829-F833 WeakPolarHBondContact O-CB 3.43Å; K829-F833 PolarHBondContact O-N 3.19Å
830T89Confident79.9Confident78 Ų7869.9 Ų69.948%0.47938%0.375SS..Hα-helixtrans-62.5-44.4174.2-640000111.2K826 M827 V828 F833 T834K826-T830 PolarHBondContact O-N 3.4Å; K826-T830 PolarHBondContact O-OG1 3.14Å; M827-T830 PolarHBondContact O-N 3.18Å; V828-T830 PolarHBondContact O-N 3.25Å; T830-F833 PolarHBondContact O-N 2.85Å; T830-T834 HydrophobicContact CG2-CG2 4.43Å; T830-T834 WeakPolarHBondContact O-CG2 3.41Å; T830-T834 PolarHBondContact O-N 2.73Å; T830-T834 PolarHBondContact O-OG1 2.85Å; T830-T834 VanDerWaalsContact O-OG1 3.14Å
831A87.3Confident77.4Confident11 Ų1173.7 Ų73.79%0.09141%0.407CS..Hα-helixtrans-64.6-4417900000113L710 L773 M827 V828 F833 T834 T835L710-A831 HydrophobicContact CD1-CB 3.89Å; L710-A831 HydrophobicContact CD2-CB 3.91Å; L710-A831 HydrophobicContact CG-CB 4.26Å; L773-A831 HydrophobicContact CD1-CB 3.92Å; M827-A831 WeakPolarHBondContact O-CB 3.41Å; M827-A831 PolarHBondContact O-N 3.21Å; V828-A831 PolarHBondContact O-N 3.25Å; A831-F833 VanDerWaalsContact C-N 3.32Å; A831-F833 PolarHBondContact O-N 3.39Å; A831-T834 WeakPolarHBondContact CA-OG1 3.38Å; A831-T834 PolarHBondContact O-N 3.04Å; A831-T834 PolarHBondContact O-OG1 2.94Å; A831-T834 VanDerWaalsContact O-OG1 3.06Å; A831-T835 VanDerWaalsContact O-CB 3.25Å; A831-T835 WeakPolarHBondContact O-CB 3.33Å; A831-T835 PolarHBondContact O-N 2.88Å; A831-T835 PolarHBondContact O-OG1 3.33Å; A831-T835 VanDerWaalsContact O-OG1 3.08Å
832I86.3Confident76.8Confident33 Ų3377.3 Ų77.317%0.16943%0.427CS..Hα-helixtrans-56.9-48.2172.6-64.4165.4000109.4L773 V776 I779 V828 T834 T835 V836L773-I832 HydrophobicContact CB-CG1 4.24Å; L773-I832 HydrophobicContact CD2-CG1 4.06Å; V776-I832 HydrophobicContact CB-CD1 3.85Å; V776-I832 HydrophobicContact CG1-CD1 3.91Å; I779-I832 HydrophobicContact CD1-CD1 4.17Å; V828-I832 HydrophobicContact CG1-CD1 3.84Å; V828-I832 HydrophobicContact CG1-CG1 4.31Å; V828-I832 VanDerWaalsContact O-CG1 3.3Å; V828-I832 WeakPolarHBondContact O-CG1 3.32Å; V828-I832 PolarHBondContact O-N 3.2Å; I832-T834 PolarHBondContact O-N 2.68Å; I832-T835 PolarHBondContact O-N 3.17Å; I832-V836 HydrophobicContact CG2-CG2 4.1Å; I832-V836 VanDerWaalsContact O-CB 3.29Å; I832-V836 WeakPolarHBondContact O-CB 3.34Å; I832-V836 WeakPolarHBondContact O-CG2 3.21Å; I832-V836 PolarHBondContact O-N 3.11Å
833F83.5Confident76.2Confident157 Ų15778.2 Ų78.269%0.68942%0.417SS*.Hα-helixtrans-62.8-40.1179.8-162.4-89.6000112.8K829 T830 A831 A837K829-F833 WeakPolarHBondContact O-CB 3.43Å; K829-F833 PolarHBondContact O-N 3.19Å; T830-F833 PolarHBondContact O-N 2.85Å; A831-F833 VanDerWaalsContact C-N 3.32Å; A831-F833 PolarHBondContact O-N 3.39Å; F833-A837 WeakPolarHBondContact O-CB 3.44Å; F833-A837 PolarHBondContact O-N 2.81Å
834T81.6Confident75.4Confident87 Ų8778.4 Ų78.453%0.53442%0.421SS..Hα-helixtrans-74.8-26.7178.452.20000114.2T830 A831 I832 P838T830-T834 HydrophobicContact CG2-CG2 4.43Å; T830-T834 WeakPolarHBondContact O-CG2 3.41Å; T830-T834 PolarHBondContact O-N 2.73Å; T830-T834 PolarHBondContact O-OG1 2.85Å; T830-T834 VanDerWaalsContact O-OG1 3.14Å; A831-T834 WeakPolarHBondContact CA-OG1 3.38Å; A831-T834 PolarHBondContact O-N 3.04Å; A831-T834 PolarHBondContact O-OG1 2.94Å; A831-T834 VanDerWaalsContact O-OG1 3.06Å; I832-T834 PolarHBondContact O-N 2.68Å; T834-P838 WeakPolarHBondContact O-CD 3.32Å; T834-P838 VanDerWaalsContact O-CG 3.28Å; T834-P838 WeakPolarHBondContact O-CG 3.1Å
835T73.9Confident74.5Confident45 Ų4583 Ų8328%0.27645%0.445SS..Hα-helixtrans-99-25.2-173.8-58.10000112.6E712 R713 A831 I832E712-T835 PolarHBondContact O-OG1 3.1Å; R713-T835 HydrophobicContact CG-CG2 4.17Å; A831-T835 VanDerWaalsContact O-CB 3.25Å; A831-T835 WeakPolarHBondContact O-CB 3.33Å; A831-T835 PolarHBondContact O-N 2.88Å; A831-T835 PolarHBondContact O-OG1 3.33Å; A831-T835 VanDerWaalsContact O-OG1 3.08Å; I832-T835 PolarHBondContact O-N 3.17Å
836V65.7Low73.4Confident41 Ų4186.8 Ų86.825%0.24846%0.464CS..Hα-helixtrans-100.2-40.8-179.1-175.70000112.7I832 P838 L839I832-V836 HydrophobicContact CG2-CG2 4.1Å; I832-V836 VanDerWaalsContact O-CB 3.29Å; I832-V836 WeakPolarHBondContact O-CB 3.34Å; I832-V836 WeakPolarHBondContact O-CG2 3.21Å; I832-V836 PolarHBondContact O-N 3.11Å; V836-P838 VanDerWaalsContact C-N 3.31Å; V836-L839 WeakPolarHBondContact O-CB 3.34Å; V836-L839 PolarHBondContact O-N 2.97Å
837A57.1Low72.2Confident42 Ų4282.6 Ų82.635%0.34745%0.452SS..G310 helixtrans-59.3-28.5-178.500000115.5F833 L839F833-A837 WeakPolarHBondContact O-CB 3.44Å; F833-A837 PolarHBondContact O-N 2.81Å; A837-L839 PolarHBondContact O-N 3.24Å
838P57.1Low70.9Confident82 Ų8284.4 Ų84.453%0.53246%0.464SS..G310 helixtrans-72.32.6173.6-19.533.8000115.7T834 V836T834-P838 WeakPolarHBondContact O-CD 3.32Å; T834-P838 VanDerWaalsContact O-CG 3.28Å; T834-P838 WeakPolarHBondContact O-CG 3.1Å; V836-P838 VanDerWaalsContact C-N 3.31Å
839L52.1Low69.4Low138 Ų13890.9 Ų90.972%0.72350%0.5SS*.G310 helixtrans-107.2-0.5-177.5-64.8167.9000113.6V836 A837V836-L839 WeakPolarHBondContact O-CB 3.34Å; V836-L839 PolarHBondContact O-N 2.97Å; A837-L839 PolarHBondContact O-N 3.24Å
840E43.6Very low67.7Low170 Ų17088.8 Ų88.879%0.79450%0.499SS*.  trans-108.222.5178.6-61.9-172.4145.400112.9
841T35Very low65.7Low181 Ų18189.7 Ų89.7100%1.1150%0.501SS*.  trans-137.20176.660.80000112.3

Retrieved 841 of 841 residues in 236.7 ms (Link to these results)

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