A0A3Q0KDD9_SCHMA Loading...

Putative vacuolar protein sorting (Vps33)

AlphaFold DB , UniProt , Accession A0A3Q0KDD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 819 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.7Very low72.3Confident140 Ų14070.5 Ų70.569%0.6935%0.349SS*.  0130.60-65.1-177.4-17200107.7N791M1-N791 PolarHBondContact N-OD1 3.37Å; M1-N791 VanDerWaalsContact O-CG 3.22Å; M1-N791 PolarHBondContact O-ND2 3.42Å; M1-N791 PolarHBondContact O-OD1 3.01Å
2S56.5Low73.7Confident98 Ų9865.2 Ų65.269%0.68532%0.323SS*.  trans-77.1129.5179.965.30000111.2T4S2-T4 PolarHBondContact O-N 3.38Å
3F63.3Low75Confident20 Ų2063 Ų639%0.08831%0.313CS..  trans-60.4108.6165.1-67.6-99.9000107.6T5 T178 P764 V766 L793F3-T5 PolarHBondContact O-N 2.95Å; F3-T178 HydrophobicContact CB-CG2 4.01Å; F3-T178 HydrophobicContact CD1-CG2 3.82Å; F3-T178 HydrophobicContact CG-CG2 4.43Å; F3-P764 HydrophobicContact CZ-CB 4.34Å; F3-V766 HydrophobicContact CE1-CG2 4.11Å; F3-V766 HydrophobicContact CZ-CG2 4.28Å; F3-L793 HydrophobicContact CB-CD1 4.28Å; F3-L793 HydrophobicContact CB-CD2 4.24Å; F3-L793 HydrophobicContact CD1-CB 4.33Å; F3-L793 HydrophobicContact CD1-CD2 3.63Å; F3-L793 HydrophobicContact CD1-CG 4.48Å; F3-L793 HydrophobicContact CD2-CB 3.76Å; F3-L793 HydrophobicContact CD2-CD1 4.12Å; F3-L793 HydrophobicContact CD2-CD2 4.25Å; F3-L793 HydrophobicContact CD2-CG 4.28Å; F3-L793 HydrophobicContact CE1-CB 4.18Å; F3-L793 HydrophobicContact CE1-CD2 4.02Å; F3-L793 HydrophobicContact CE2-CB 3.56Å; F3-L793 HydrophobicContact CG-CB 4.18Å; F3-L793 HydrophobicContact CG-CD1 4.18Å; F3-L793 HydrophobicContact CG-CD2 3.79Å; F3-L793 HydrophobicContact CG-CG 4.29Å; F3-L793 HydrophobicContact CZ-CB 3.79Å; F3-L793 HydrophobicContact CZ-CD2 4.47Å
4T64.6Low76.1Confident60 Ų6071.4 Ų71.437%0.36834%0.339SS..  trans-71.999.6-174.351.50000110.5S2 E6S2-T4 PolarHBondContact O-N 3.38Å; T4-E6 VanDerWaalsContact C-N 3.3Å; T4-E6 PolarHBondContact O-N 3.3Å
5T70.2Confident77.1Confident30 Ų3069 Ų6918%0.18433%0.328CS..THydrogen-bonded Turntrans-76.8-13.9179.651.90000113.6F3 R7 L8 R9 Q138 L144F3-T5 PolarHBondContact O-N 2.95Å; T5-R7 PolarHBondContact O-N 3.36Å; T5-L8 HydrophobicContact CG2-CD1 4.49Å; T5-L8 WeakPolarHBondContact O-CA 3.14Å; T5-L8 VanDerWaalsContact O-CB 3.29Å; T5-L8 WeakPolarHBondContact O-CB 3.48Å; T5-L8 PolarHBondContact O-N 3.27Å; T5-R9 PolarHBondContact O-N 3.32Å; T5-R9 VanDerWaalsContact O-N 3.1Å; T5-Q138 HydrophobicContact CG2-CB 4.41Å; T5-Q138 HydrophobicContact CG2-CG 4.4Å; T5-Q138 PolarHBondContact OG1-OE1 2.79Å; T5-L144 HydrophobicContact CG2-CD2 3.93Å
6E78.7Confident78.1Confident80 Ų8064.7 Ų64.737%0.37431%0.307SS..Hα-helixtrans-58.8-35.2-177.5-178.654.1-156.100112.6T4 L8 R9 Q10T4-E6 VanDerWaalsContact C-N 3.3Å; T4-E6 PolarHBondContact O-N 3.3Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.4Å; E6-R9 PolarHBondContact O-N 2.93Å; E6-R9 IonicContact OE1-CZ 2.87Å; E6-R9 IonicContact OE1-NE 3.24Å; E6-R9 PolarHBondContact OE1-NE 3.42Å; E6-R9 IonicContact OE1-NH2 3.93Å; E6-R9 PolarHBondContact OE1-NH2 2.82Å; E6-R9 IonicContact OE2-CZ 2.8Å; E6-R9 IonicContact OE2-NE 3.79Å; E6-R9 PolarHBondContact OE2-NE 2.85Å; E6-R9 IonicContact OE2-NH2 2.88Å; E6-R9 PolarHBondContact OE2-NH2 2.73Å; E6-Q10 VanDerWaalsContact O-CG 3.32Å; E6-Q10 WeakPolarHBondContact O-CG 3.41Å; E6-Q10 PolarHBondContact O-N 3.14Å; E6-Q10 PolarHBondContact OE1-NE2 2.74Å; E6-Q10 VanDerWaalsContact OE1-NE2 3.07Å
7R81Confident79Confident133 Ų13362.5 Ų62.550%0.50231%0.306SS..Hα-helixtrans-64.9-35.8174.2-70.2-177.1178169.7-1.4112.7T5 S11 L177T5-R7 PolarHBondContact O-N 3.36Å; R7-S11 WeakPolarHBondContact O-CB 3.33Å; R7-S11 PolarHBondContact O-N 2.9Å; R7-L177 HydrophobicContact CB-CD2 4.41Å
8L82.4Confident79.9Confident4 Ų468.1 Ų68.12%0.02132%0.323CS..Hα-helixtrans-65.1-49.9175.2-70.2159.6000109.6T5 E6 Q10 S11 V12 W136 L174 L177T5-L8 HydrophobicContact CG2-CD1 4.49Å; T5-L8 WeakPolarHBondContact O-CA 3.14Å; T5-L8 VanDerWaalsContact O-CB 3.29Å; T5-L8 WeakPolarHBondContact O-CB 3.48Å; T5-L8 PolarHBondContact O-N 3.27Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.4Å; L8-Q10 VanDerWaalsContact C-N 3.35Å; L8-Q10 PolarHBondContact O-N 3.05Å; L8-S11 WeakPolarHBondContact O-CA 3.29Å; L8-S11 WeakPolarHBondContact O-CB 3.45Å; L8-S11 PolarHBondContact O-N 2.85Å; L8-V12 WeakPolarHBondContact O-CG2 3.27Å; L8-V12 PolarHBondContact O-N 2.86Å; L8-W136 HydrophobicContact CD1-CB 4.46Å; L8-L174 HydrophobicContact CD1-CD1 3.62Å; L8-L177 HydrophobicContact CD2-CD1 3.44Å; L8-L177 VanDerWaalsContact CD2-CD1 3.44Å; L8-L177 HydrophobicContact CG-CD1 3.95Å
9R84.3Confident80.7Confident100 Ų10064.6 Ų64.638%0.37731%0.307SS..Hα-helixtrans-56-48.3178.8-167.4-175.472.583.32.8111.6T5 E6 S11 V12 L13T5-R9 PolarHBondContact O-N 3.32Å; T5-R9 VanDerWaalsContact O-N 3.1Å; E6-R9 PolarHBondContact O-N 2.93Å; E6-R9 IonicContact OE1-CZ 2.87Å; E6-R9 IonicContact OE1-NE 3.24Å; E6-R9 PolarHBondContact OE1-NE 3.42Å; E6-R9 IonicContact OE1-NH2 3.93Å; E6-R9 PolarHBondContact OE1-NH2 2.82Å; E6-R9 IonicContact OE2-CZ 2.8Å; E6-R9 IonicContact OE2-NE 3.79Å; E6-R9 PolarHBondContact OE2-NE 2.85Å; E6-R9 IonicContact OE2-NH2 2.88Å; E6-R9 PolarHBondContact OE2-NH2 2.73Å; R9-S11 VanDerWaalsContact C-N 3.28Å; R9-S11 PolarHBondContact O-N 2.95Å; R9-V12 PolarHBondContact O-N 2.88Å; R9-L13 WeakPolarHBondContact O-CG 3.28Å; R9-L13 PolarHBondContact O-N 2.79Å
10Q86.2Confident81.4Confident98 Ų9861.6 Ų61.646%0.45829%0.292SS..Hα-helixtrans-61.2-37.4176.1-71.2173.87.700112.4E6 L8 L13 R14E6-Q10 VanDerWaalsContact O-CG 3.32Å; E6-Q10 WeakPolarHBondContact O-CG 3.41Å; E6-Q10 PolarHBondContact O-N 3.14Å; E6-Q10 PolarHBondContact OE1-NE2 2.74Å; E6-Q10 VanDerWaalsContact OE1-NE2 3.07Å; L8-Q10 VanDerWaalsContact C-N 3.35Å; L8-Q10 PolarHBondContact O-N 3.05Å; Q10-L13 PolarHBondContact O-N 2.99Å; Q10-R14 WeakPolarHBondContact O-CG 3.42Å; Q10-R14 PolarHBondContact O-N 3.21Å; Q10-R14 VanDerWaalsContact O-N 3.12Å
11S85.8Confident81.9Confident13 Ų1362.3 Ų62.39%0.09130%0.304CS..Hα-helixtrans-65.2-42.4176.3-162.90000112.5R7 L8 R9 R14 E15 R173R7-S11 WeakPolarHBondContact O-CB 3.33Å; R7-S11 PolarHBondContact O-N 2.9Å; L8-S11 WeakPolarHBondContact O-CA 3.29Å; L8-S11 WeakPolarHBondContact O-CB 3.45Å; L8-S11 PolarHBondContact O-N 2.85Å; R9-S11 VanDerWaalsContact C-N 3.28Å; R9-S11 PolarHBondContact O-N 2.95Å; S11-R14 PolarHBondContact O-N 3.04Å; S11-E15 PolarHBondContact O-N 2.83Å; S11-R173 PolarHBondContact OG-NH2 3.08Å
12V89.1Confident84.3Confident6 Ų660.3 Ų60.34%0.03630%0.295CS..Hα-helixtrans-64.1-45176.6174.90000110.1L8 R9 R14 E15 F16 I42 L134L8-V12 WeakPolarHBondContact O-CG2 3.27Å; L8-V12 PolarHBondContact O-N 2.86Å; R9-V12 PolarHBondContact O-N 2.88Å; V12-R14 VanDerWaalsContact C-N 3.29Å; V12-R14 PolarHBondContact O-N 3.46Å; V12-E15 WeakPolarHBondContact O-CA 3.35Å; V12-E15 VanDerWaalsContact O-CB 3.31Å; V12-E15 WeakPolarHBondContact O-CB 3.44Å; V12-E15 PolarHBondContact O-N 3.21Å; V12-F16 HydrophobicContact CG1-CD2 3.76Å; V12-F16 HydrophobicContact CG1-CE2 3.61Å; V12-F16 WeakPolarHBondContact O-CD2 3.41Å; V12-F16 PolarHBondContact O-N 3.25Å; V12-I42 HydrophobicContact CG1-CG2 3.71Å; V12-L134 WeakPolarHBondContact CG2-O 3.49Å
13L90.4Very high86.1Confident37 Ų3755.8 Ų55.819%0.19426%0.264CS..Hα-helixtrans-61.3-34.8178.6-69.3-177000113.7R9 Q10 E15 F16 G17 I47R9-L13 WeakPolarHBondContact O-CG 3.28Å; R9-L13 PolarHBondContact O-N 2.79Å; Q10-L13 PolarHBondContact O-N 2.99Å; L13-E15 VanDerWaalsContact C-N 3.32Å; L13-F16 WeakPolarHBondContact O-CB 3.27Å; L13-F16 PolarHBondContact O-N 3.23Å; L13-G17 PolarHBondContact O-N 3.45Å; L13-I47 HydrophobicContact CD1-CD1 4.09Å; L13-I47 HydrophobicContact CD2-CD1 4.15Å; L13-I47 HydrophobicContact CD2-CG2 3.84Å
14R90.6Very high87.4Confident181 Ų18159.1 Ų59.168%0.68329%0.288SS*.Hα-helixtrans-64.5-38.3171.7-73.6-174.5-64.4165.31.5111.9Q10 S11 V12 G17 R18Q10-R14 WeakPolarHBondContact O-CG 3.42Å; Q10-R14 PolarHBondContact O-N 3.21Å; Q10-R14 VanDerWaalsContact O-N 3.12Å; S11-R14 PolarHBondContact O-N 3.04Å; V12-R14 VanDerWaalsContact C-N 3.29Å; V12-R14 PolarHBondContact O-N 3.46Å; R14-G17 PolarHBondContact O-N 3.23Å; R14-R18 PolarHBondContact O-N 3.26Å
15E91.4Very high88.7Confident35 Ų3558 Ų5816%0.16429%0.288CS..Hα-helixtrans-67.4-41.1177.1-158.7175.3149.300111.7S11 V12 L13 G17 R18 V19 L132 S133S11-E15 PolarHBondContact O-N 2.83Å; V12-E15 WeakPolarHBondContact O-CA 3.35Å; V12-E15 VanDerWaalsContact O-CB 3.31Å; V12-E15 WeakPolarHBondContact O-CB 3.44Å; V12-E15 PolarHBondContact O-N 3.21Å; L13-E15 VanDerWaalsContact C-N 3.32Å; E15-G17 VanDerWaalsContact C-N 3.32Å; E15-G17 PolarHBondContact O-N 3.35Å; E15-R18 PolarHBondContact O-N 3.15Å; E15-V19 WeakPolarHBondContact O-CG2 3.06Å; E15-V19 PolarHBondContact O-N 3Å; E15-L132 HydrophobicContact CB-CD1 3.85Å; E15-L132 HydrophobicContact CG-CD1 3.63Å; E15-S133 PolarHBondContact OE1-N 3.05Å; E15-S133 VanDerWaalsContact OE1-N 3.11Å
16F93.1Very high89.9Confident0 Ų063.8 Ų63.80%031%0.313CS..Hα-helixtrans-53.4-50.1168.4-90.8-104.4000110.8V12 L13 R18 V19 F20 I42 A43 L48 L51 M74 L132 L134V12-F16 HydrophobicContact CG1-CD2 3.76Å; V12-F16 HydrophobicContact CG1-CE2 3.61Å; V12-F16 WeakPolarHBondContact O-CD2 3.41Å; V12-F16 PolarHBondContact O-N 3.25Å; L13-F16 WeakPolarHBondContact O-CB 3.27Å; L13-F16 PolarHBondContact O-N 3.23Å; F16-R18 VanDerWaalsContact C-N 3.34Å; F16-R18 PolarHBondContact O-N 3.37Å; F16-V19 PolarHBondContact O-N 3.35Å; F16-F20 HydrophobicContact CB-CD2 4.49Å; F16-F20 HydrophobicContact CD1-CD2 4.09Å; F16-F20 AromaticContact CD1-CE2 3.65Å; F16-F20 HydrophobicContact CD1-CE2 3.65Å; F16-F20 HydrophobicContact CE1-CE2 4.15Å; F16-F20 WeakPolarHBondContact O-CB 3.48Å; F16-F20 VanDerWaalsContact O-CD2 3.3Å; F16-F20 WeakPolarHBondContact O-CD2 3.37Å; F16-F20 PolarHBondContact O-N 3.21Å; F16-I42 HydrophobicContact CE2-CG2 4.22Å; F16-A43 HydrophobicContact CD1-CB 4.46Å; F16-A43 HydrophobicContact CE1-CB 4.02Å; F16-A43 HydrophobicContact CZ-CB 4.25Å; F16-L48 HydrophobicContact CE1-CD2 4.49Å; F16-L51 HydrophobicContact CB-CD1 3.9Å; F16-L51 HydrophobicContact CD1-CD1 4.21Å; F16-M74 HydrophobicContact CE1-CE 4.14Å; F16-M74 HydrophobicContact CZ-CE 4.15Å; F16-L132 HydrophobicContact CD1-CD2 4.12Å; F16-L132 HydrophobicContact CD2-CD1 3.95Å; F16-L132 HydrophobicContact CD2-CD2 3.86Å; F16-L132 HydrophobicContact CD2-CG 4.38Å; F16-L132 HydrophobicContact CE1-CD2 3.96Å; F16-L132 HydrophobicContact CE2-CD1 4.28Å; F16-L132 HydrophobicContact CE2-CD2 3.72Å; F16-L132 HydrophobicContact CE2-CG 4.27Å; F16-L132 HydrophobicContact CG-CD2 4.07Å; F16-L132 HydrophobicContact CZ-CD2 3.77Å; F16-L134 HydrophobicContact CE2-CD2 3.72Å; F16-L134 HydrophobicContact CZ-CD2 3.74Å
17G92.8Very high90.7Very high28 Ų2860.4 Ų60.429%0.28930%0.297SS..Hα-helixtrans-54-48.1176.800000113L13 R14 E15 S21L13-G17 PolarHBondContact O-N 3.45Å; R14-G17 PolarHBondContact O-N 3.23Å; E15-G17 VanDerWaalsContact C-N 3.32Å; E15-G17 PolarHBondContact O-N 3.35Å; G17-S21 WeakPolarHBondContact O-CB 3.03Å; G17-S21 PolarHBondContact O-N 3.25Å; G17-S21 VanDerWaalsContact O-N 3.12Å
18R94.5Very high91.4Very high163 Ų16354.1 Ų54.162%0.61527%0.273SS*.Hα-helixtrans-61.2-49.2177.5-173-173.769.9128.90.5112R14 E15 F16 S21R14-R18 PolarHBondContact O-N 3.26Å; E15-R18 PolarHBondContact O-N 3.15Å; F16-R18 VanDerWaalsContact C-N 3.34Å; F16-R18 PolarHBondContact O-N 3.37Å; R18-S21 WeakPolarHBondContact O-CB 3.42Å; R18-S21 PolarHBondContact O-N 3.37Å; R18-S21 PolarHBondContact O-OG 2.68Å
19V95.3Very high92.1Very high2 Ų253.9 Ų53.91%0.01227%0.272CS..Hα-helixtrans-66.8-45.3-176.7172.20000111.2E15 F16 S21 L22 L102 I104 A130 L132E15-V19 WeakPolarHBondContact O-CG2 3.06Å; E15-V19 PolarHBondContact O-N 3Å; F16-V19 PolarHBondContact O-N 3.35Å; V19-S21 PolarHBondContact O-N 3.08Å; V19-L22 VanDerWaalsContact O-CB 3.28Å; V19-L22 WeakPolarHBondContact O-CB 3.45Å; V19-L22 WeakPolarHBondContact O-CG 3.18Å; V19-L22 PolarHBondContact O-N 2.92Å; V19-L22 VanDerWaalsContact O-N 3.13Å; V19-L102 HydrophobicContact CG1-CD2 4.44Å; V19-I104 HydrophobicContact CG1-CD1 3.7Å; V19-I104 HydrophobicContact CG1-CG1 3.76Å; V19-I104 HydrophobicContact CG1-CG2 4.01Å; V19-A130 HydrophobicContact CG1-CB 3.84Å; V19-L132 HydrophobicContact CG2-CB 4.32Å; V19-L132 HydrophobicContact CG2-CD1 4.23Å
20F94.4Very high92.7Very high3 Ų349.4 Ų49.41%0.01326%0.255CS..Hα-helixtrans-69.1-18.8179.5-83.1-83000113.5F16 L22 L23 K27 L29 L51 V53 A72 M74 I104F16-F20 HydrophobicContact CB-CD2 4.49Å; F16-F20 HydrophobicContact CD1-CD2 4.09Å; F16-F20 AromaticContact CD1-CE2 3.65Å; F16-F20 HydrophobicContact CD1-CE2 3.65Å; F16-F20 HydrophobicContact CE1-CE2 4.15Å; F16-F20 WeakPolarHBondContact O-CB 3.48Å; F16-F20 VanDerWaalsContact O-CD2 3.3Å; F16-F20 WeakPolarHBondContact O-CD2 3.37Å; F16-F20 PolarHBondContact O-N 3.21Å; F20-L22 PolarHBondContact O-N 2.96Å; F20-L23 PolarHBondContact O-N 3.03Å; F20-K27 HydrophobicContact CD1-CD 3.77Å; F20-K27 HydrophobicContact CE1-CD 4.24Å; F20-K27 PolarHBondContact O-NZ 2.91Å; F20-L29 HydrophobicContact CE1-CD1 4.19Å; F20-L29 HydrophobicContact CZ-CD1 3.95Å; F20-L29 HydrophobicContact CZ-CD2 4.22Å; F20-L51 HydrophobicContact CB-CB 4.35Å; F20-L51 HydrophobicContact CD2-CD1 4.02Å; F20-L51 HydrophobicContact CG-CB 4.4Å; F20-L51 HydrophobicContact CG-CD1 4.45Å; F20-V53 HydrophobicContact CD1-CG2 4.04Å; F20-V53 HydrophobicContact CE1-CG2 3.64Å; F20-V53 HydrophobicContact CZ-CG2 4.28Å; F20-A72 HydrophobicContact CE1-CB 4.01Å; F20-M74 HydrophobicContact CZ-SD 4.26Å; F20-I104 HydrophobicContact CE1-CD1 4.22Å; F20-I104 HydrophobicContact CE2-CD1 4.05Å; F20-I104 HydrophobicContact CZ-CD1 3.88Å
21S93.2Very high93.2Very high77 Ų7744.8 Ų44.854%0.53823%0.234SC..Hα-helixtrans-67-22.4172.779.40000113.3G17 R18 V19 L23G17-S21 WeakPolarHBondContact O-CB 3.03Å; G17-S21 PolarHBondContact O-N 3.25Å; G17-S21 VanDerWaalsContact O-N 3.12Å; R18-S21 WeakPolarHBondContact O-CB 3.42Å; R18-S21 PolarHBondContact O-N 3.37Å; R18-S21 PolarHBondContact O-OG 2.68Å; V19-S21 PolarHBondContact O-N 3.08Å; S21-L23 PolarHBondContact O-N 3.47Å
22L93.2Very high93.6Very high98 Ų9845 Ų4551%0.51323%0.234SC..THydrogen-bonded Turntrans-65.2-23.1175.9-61.2173000112.7V19 F20 P24 L102 A130V19-L22 VanDerWaalsContact O-CB 3.28Å; V19-L22 WeakPolarHBondContact O-CB 3.45Å; V19-L22 WeakPolarHBondContact O-CG 3.18Å; V19-L22 PolarHBondContact O-N 2.92Å; V19-L22 VanDerWaalsContact O-N 3.13Å; F20-L22 PolarHBondContact O-N 2.96Å; L22-P24 WeakPolarHBondContact O-CD 3.32Å; L22-L102 HydrophobicContact CB-CD1 4.37Å; L22-L102 HydrophobicContact CB-CD2 4.34Å; L22-L102 HydrophobicContact CD1-CD1 4.37Å; L22-A130 HydrophobicContact CD1-CB 3.72Å
23L93.8Very high93.8Very high3 Ų347.1 Ų47.12%0.01625%0.252CS..SBendtrans-117.578.8175.1-172.965.7000109.9F20 S21 K27 R70 A72 T100 L102F20-L23 PolarHBondContact O-N 3.03Å; S21-L23 PolarHBondContact O-N 3.47Å; L23-K27 HydrophobicContact CD2-CB 4.16Å; L23-K27 HydrophobicContact CD2-CD 4.33Å; L23-K27 WeakPolarHBondContact O-CE 3.44Å; L23-K27 PolarHBondContact O-NZ 2.94Å; L23-R70 HydrophobicContact CD1-CB 4.46Å; L23-R70 HydrophobicContact CD1-CG 4.34Å; L23-R70 HydrophobicContact CD2-CB 4.25Å; L23-R70 HydrophobicContact CG-CB 4.4Å; L23-A72 HydrophobicContact CD2-CB 4.31Å; L23-T100 HydrophobicContact CD1-CG2 3.62Å; L23-L102 HydrophobicContact CB-CB 4.08Å; L23-L102 HydrophobicContact CB-CD2 3.97Å; L23-L102 HydrophobicContact CD2-CB 3.99Å; L23-L102 HydrophobicContact CG-CB 4.5Å
24P91Very high93.7Very high91 Ų9150.5 Ų50.559%0.59127%0.267SS*.  trans-67.6148.2-175.827.7-35000112.4L22 R70L22-P24 WeakPolarHBondContact O-CD 3.32Å; P24-R70 WeakPolarHBondContact O-CD 3.3Å; P24-R70 PolarHBondContact O-NE 2.95Å
25G91.9Very high93.9Very high36 Ų3642.4 Ų42.437%0.37124%0.237SC..SBendtrans101.2179179.700000114.4K27 S52G25-K27 WeakPolarHBondContact O-CE 3.48Å; G25-K27 PolarHBondContact O-N 3.34Å; G25-S52 WeakPolarHBondContact O-CB 3.24Å
26Q94.2Very high93.9Very high152 Ų15243.5 Ų43.571%0.7124%0.244SC*.SBendtrans-66.7129.6175.2-68.7-171.510.200110T54Q26-T54 HydrophobicContact CB-CG2 3.93Å; Q26-T54 HydrophobicContact CG-CG2 4.23Å
27K95.3Very high93.8Very high8 Ų846.1 Ų46.14%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-137.3159.8-175.571.2-154.367.1163.90111F20 L23 G25 L51 S52 V53 T54 R70F20-K27 HydrophobicContact CD1-CD 3.77Å; F20-K27 HydrophobicContact CE1-CD 4.24Å; F20-K27 PolarHBondContact O-NZ 2.91Å; L23-K27 HydrophobicContact CD2-CB 4.16Å; L23-K27 HydrophobicContact CD2-CD 4.33Å; L23-K27 WeakPolarHBondContact O-CE 3.44Å; L23-K27 PolarHBondContact O-NZ 2.94Å; G25-K27 WeakPolarHBondContact O-CE 3.48Å; G25-K27 PolarHBondContact O-N 3.34Å; K27-L51 PolarHBondContact NZ-O 2.93Å; K27-S52 PolarHBondContact N-O 2.89Å; K27-V53 HydrophobicContact CD-CG2 4.28Å; K27-V53 HydrophobicContact CG-CG2 4.15Å; K27-V53 WeakPolarHBondContact O-CA 3.27Å; K27-T54 PolarHBondContact O-N 3.34Å; K27-T54 PolarHBondContact O-OG1 3.37Å; K27-R70 WeakPolarHBondContact CA-O 3.24Å; K27-R70 HydrophobicContact CB-CB 3.93Å
28I95.9Very high93.8Very high1 Ų144.8 Ų44.81%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-101.1151.5164.658.4161.8000110L30 K55 F57 P64 Y68 R70 I71 A72I28-L30 HydrophobicContact CD1-CD2 4.24Å; I28-L30 HydrophobicContact CD1-CG 4.49Å; I28-K55 HydrophobicContact CG2-CB 4.46Å; I28-F57 HydrophobicContact CB-CE2 4.44Å; I28-F57 HydrophobicContact CG2-CE2 4.23Å; I28-P64 HydrophobicContact CD1-CB 3.93Å; I28-P64 HydrophobicContact CD1-CG 3.8Å; I28-Y68 HydrophobicContact CB-CD1 4.48Å; I28-Y68 HydrophobicContact CD1-CD1 4.25Å; I28-Y68 HydrophobicContact CD1-CD2 3.72Å; I28-Y68 HydrophobicContact CD1-CE2 4.35Å; I28-Y68 HydrophobicContact CD1-CG 3.64Å; I28-Y68 HydrophobicContact CG1-CD1 4.38Å; I28-Y68 HydrophobicContact CG1-CG 4.15Å; I28-Y68 HydrophobicContact CG2-CD1 3.35Å; I28-Y68 HydrophobicContact CG2-CE1 3.45Å; I28-Y68 VanDerWaalsContact CG2-CE1 3.45Å; I28-Y68 HydrophobicContact CG2-CG 3.92Å; I28-R70 PolarHBondContact N-O 3.3Å; I28-R70 VanDerWaalsContact N-O 3.08Å; I28-I71 HydrophobicContact CD1-CD1 4.29Å; I28-I71 HydrophobicContact CD1-CG1 4.02Å; I28-I71 HydrophobicContact CD1-CG2 4.33Å; I28-I71 HydrophobicContact CG1-CB 4.33Å; I28-I71 HydrophobicContact CG1-CG1 3.94Å; I28-I71 HydrophobicContact CG1-CG2 4.2Å; I28-A72 PolarHBondContact O-N 3.21Å
29L96.9Very high93.7Very high0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-112.3123.3176.3-179.661.9000109.8F20 V31 L48 V53 K55 V56 F57 A72 M74F20-L29 HydrophobicContact CE1-CD1 4.19Å; F20-L29 HydrophobicContact CZ-CD1 3.95Å; F20-L29 HydrophobicContact CZ-CD2 4.22Å; L29-V31 HydrophobicContact CD1-CG2 4.42Å; L29-V31 HydrophobicContact CD2-CG2 3.94Å; L29-V31 HydrophobicContact CG-CG2 3.73Å; L29-L48 HydrophobicContact CD2-CD1 4.34Å; L29-L48 HydrophobicContact CD2-CD2 4.39Å; L29-V53 HydrophobicContact CB-CG1 3.54Å; L29-V53 HydrophobicContact CD2-CG1 4.49Å; L29-K55 PolarHBondContact N-O 2.84Å; L29-V56 HydrophobicContact CB-CG2 4.24Å; L29-V56 HydrophobicContact CD2-CG1 4.37Å; L29-V56 HydrophobicContact CD2-CG2 4.16Å; L29-V56 HydrophobicContact CG-CG1 4.48Å; L29-V56 CarbonylContact O-C 3.5Å; L29-V56 VanDerWaalsContact O-CA 3.28Å; L29-V56 WeakPolarHBondContact O-CA 3.22Å; L29-F57 PolarHBondContact O-N 2.9Å; L29-A72 CarbonylContact C-O 3.6Å; L29-A72 WeakPolarHBondContact CA-O 3.27Å; L29-A72 HydrophobicContact CD1-CB 3.84Å; L29-M74 HydrophobicContact CD1-CB 4.4Å; L29-M74 HydrophobicContact CD1-CG 3.77Å; L29-M74 HydrophobicContact CD1-SD 3.74Å; L29-M74 HydrophobicContact CD2-SD 3.9Å; L29-M74 HydrophobicContact CG-SD 4.34Å
30L97Very high93.4Very high5 Ų542.4 Ų42.43%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-106.6123.3172.7-57.8-176.6000108.7I28 F57 I59 P64 I71 A72 Y73 M74I28-L30 HydrophobicContact CD1-CD2 4.24Å; I28-L30 HydrophobicContact CD1-CG 4.49Å; L30-F57 CarbonylContact C-O 3.54Å; L30-F57 WeakPolarHBondContact CA-O 3.36Å; L30-F57 HydrophobicContact CD2-CB 3.66Å; L30-F57 HydrophobicContact CD2-CD2 3.96Å; L30-F57 HydrophobicContact CD2-CG 4.27Å; L30-I59 HydrophobicContact CB-CG1 3.79Å; L30-P64 HydrophobicContact CD1-CG 4.05Å; L30-I71 HydrophobicContact CD1-CG2 3.65Å; L30-I71 HydrophobicContact CG-CG2 3.87Å; L30-A72 PolarHBondContact N-O 2.83Å; L30-Y73 HydrophobicContact CB-CD1 3.94Å; L30-Y73 HydrophobicContact CB-CE1 4.22Å; L30-Y73 HydrophobicContact CD1-CD1 4Å; L30-Y73 HydrophobicContact CD1-CE1 3.41Å; L30-Y73 VanDerWaalsContact CD1-CE1 3.41Å; L30-Y73 HydrophobicContact CG-CE1 4.38Å; L30-Y73 CarbonylContact O-C 3.52Å; L30-Y73 WeakPolarHBondContact O-CA 3.46Å; L30-M74 PolarHBondContact O-N 3.46Å
31V96.7Very high93Very high1 Ų145.8 Ų45.81%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-118.3136.2-173.4-1740000110.2L29 L35 L36 I39 V56 F57 K58 I59 M74L29-V31 HydrophobicContact CD1-CG2 4.42Å; L29-V31 HydrophobicContact CD2-CG2 3.94Å; L29-V31 HydrophobicContact CG-CG2 3.73Å; V31-L35 HydrophobicContact CG1-CB 3.83Å; V31-L36 HydrophobicContact CB-CD2 3.75Å; V31-L36 HydrophobicContact CB-CG 4.24Å; V31-L36 HydrophobicContact CG1-CD2 3.93Å; V31-L36 HydrophobicContact CG1-CG 4.02Å; V31-L36 HydrophobicContact CG2-CD2 4.36Å; V31-I39 HydrophobicContact CB-CD1 4.34Å; V31-I39 HydrophobicContact CG1-CD1 3.38Å; V31-I39 HydrophobicContact CG2-CD1 3.92Å; V31-V56 HydrophobicContact CG2-CG1 3.73Å; V31-F57 PolarHBondContact N-O 3.06Å; V31-K58 WeakPolarHBondContact O-CA 3.32Å; V31-I59 PolarHBondContact O-N 2.73Å; V31-M74 HydrophobicContact CG1-CB 4.47Å; V31-M74 HydrophobicContact CG2-CB 4.45Å
32D95.3Very high92.7Very high19 Ų1943 Ų4310%0.10223%0.232CC..  trans-57.8142.5168.6-166-72.2000111.3Q34 L35 L36 I59 M74 I75 S81D32-Q34 PolarHBondContact O-N 2.98Å; D32-Q34 VanDerWaalsContact O-N 3.1Å; D32-Q34 PolarHBondContact OD1-N 3.39Å; D32-L35 HydrophobicContact CB-CD1 4.17Å; D32-L35 HydrophobicContact CB-CG 4.32Å; D32-L35 PolarHBondContact O-N 3.23Å; D32-L36 PolarHBondContact O-N 2.83Å; D32-I59 HydrophobicContact CB-CD1 4.42Å; D32-M74 PolarHBondContact N-O 3.18Å; D32-I75 HydrophobicContact CB-CG2 4.35Å; D32-S81 PolarHBondContact OD2-OG 3.35Å
33A92.2Very high92.5Very high50 Ų5038.3 Ų38.341%0.41321%0.208SC..THydrogen-bonded Turntrans-50.7-40.1-17800000112.8L35 K58A33-L35 VanDerWaalsContact C-N 3.29Å; A33-L35 PolarHBondContact O-N 2.88Å; A33-K58 VanDerWaalsContact CB-CE 3.45Å
34Q89.6Confident92.2Very high108 Ų10840.4 Ų40.451%0.50522%0.223SC..THydrogen-bonded Turntrans-73.2-22-174.8-55.8-177.216.400113D32D32-Q34 PolarHBondContact O-N 2.98Å; D32-Q34 VanDerWaalsContact O-N 3.1Å; D32-Q34 PolarHBondContact OD1-N 3.39Å
35L93.6Very high92.1Very high11 Ų1139.7 Ų39.76%0.05821%0.213CC..THydrogen-bonded Turntrans-95.6-15.5-175.9-62.4176.9000113.2V31 D32 A33 K37 A38 I39 I106V31-L35 HydrophobicContact CG1-CB 3.83Å; D32-L35 HydrophobicContact CB-CD1 4.17Å; D32-L35 HydrophobicContact CB-CG 4.32Å; D32-L35 PolarHBondContact O-N 3.23Å; A33-L35 VanDerWaalsContact C-N 3.29Å; A33-L35 PolarHBondContact O-N 2.88Å; L35-K37 PolarHBondContact O-N 2.75Å; L35-A38 PolarHBondContact O-N 2.81Å; L35-A38 VanDerWaalsContact O-N 3.14Å; L35-I39 HydrophobicContact CB-CD1 4.29Å; L35-I39 WeakPolarHBondContact O-CG1 3.35Å; L35-I39 PolarHBondContact O-N 3.34Å; L35-I106 HydrophobicContact CD1-CB 3.86Å; L35-I106 HydrophobicContact CD1-CG1 3.76Å; L35-I106 HydrophobicContact CD1-CG2 4.46Å; L35-I106 HydrophobicContact CD2-CB 4.17Å; L35-I106 HydrophobicContact CD2-CG2 3.9Å
36L92.5Very high92.1Very high58 Ų5841.5 Ų41.530%0.30422%0.22SC..Hα-helixtrans-53.8-50.3-176.2-78.6167.6000112.5V31 D32 A38 I39 D40 K58V31-L36 HydrophobicContact CB-CD2 3.75Å; V31-L36 HydrophobicContact CB-CG 4.24Å; V31-L36 HydrophobicContact CG1-CD2 3.93Å; V31-L36 HydrophobicContact CG1-CG 4.02Å; V31-L36 HydrophobicContact CG2-CD2 4.36Å; D32-L36 PolarHBondContact O-N 2.83Å; L36-A38 PolarHBondContact O-N 3.01Å; L36-I39 PolarHBondContact O-N 2.61Å; L36-D40 PolarHBondContact O-N 3.18Å; L36-K58 HydrophobicContact CD1-CB 4.18Å; L36-K58 HydrophobicContact CD1-CD 4.38Å; L36-K58 HydrophobicContact CD1-CG 4.1Å
37K91.1Very high91.9Very high55 Ų5535.6 Ų35.624%0.23919%0.193CC..Hα-helixtrans-65.5-38.8179.8-68.8-175176-1770111.7L35 D40 R41 E302 L303 E307L35-K37 PolarHBondContact O-N 2.75Å; K37-D40 PolarHBondContact O-N 3.28Å; K37-R41 VanDerWaalsContact O-CG 3.31Å; K37-R41 WeakPolarHBondContact O-CG 3.38Å; K37-R41 PolarHBondContact O-N 3.14Å; K37-E302 HydrophobicContact CD-CB 4.05Å; K37-E302 WeakPolarHBondContact CD-OE2 3.34Å; K37-E302 WeakPolarHBondContact CE-OE2 3.45Å; K37-E302 IonicContact NZ-OE1 3.77Å; K37-E302 IonicContact NZ-OE2 2.8Å; K37-E302 PolarHBondContact NZ-OE2 3.13Å; K37-L303 HydrophobicContact CB-CD1 3.69Å; K37-E307 IonicContact NZ-OE1 3.81Å
38A92.5Very high91.7Very high0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-64.6-41.7177.900000112L35 L36 R41 I42 L134 I137 L303L35-A38 PolarHBondContact O-N 2.81Å; L35-A38 VanDerWaalsContact O-N 3.14Å; L36-A38 PolarHBondContact O-N 3.01Å; A38-R41 PolarHBondContact O-N 2.79Å; A38-I42 WeakPolarHBondContact O-CG1 3.41Å; A38-I42 PolarHBondContact O-N 3.32Å; A38-L134 HydrophobicContact CB-CD1 3.87Å; A38-I137 HydrophobicContact CB-CD1 3.91Å; A38-L303 HydrophobicContact CB-CD1 3.84Å; A38-L303 VanDerWaalsContact N-CD1 3.29Å
39I91.7Very high91.7Very high8 Ų843.5 Ų43.54%0.04122%0.222CC..Hα-helixtrans-68.2-42.8178-66.6171.3000110.8V31 L35 L36 R41 I42 A43 M74V31-I39 HydrophobicContact CB-CD1 4.34Å; V31-I39 HydrophobicContact CG1-CD1 3.38Å; V31-I39 HydrophobicContact CG2-CD1 3.92Å; L35-I39 HydrophobicContact CB-CD1 4.29Å; L35-I39 WeakPolarHBondContact O-CG1 3.35Å; L35-I39 PolarHBondContact O-N 3.34Å; L36-I39 PolarHBondContact O-N 2.61Å; I39-R41 PolarHBondContact O-N 3.4Å; I39-I42 PolarHBondContact O-N 3.49Å; I39-A43 HydrophobicContact CG2-CB 4.48Å; I39-A43 PolarHBondContact O-N 3.44Å; I39-M74 HydrophobicContact CD1-CB 4.32Å; I39-M74 HydrophobicContact CD1-CE 3.37Å; I39-M74 HydrophobicContact CD1-SD 3.59Å; I39-M74 VanDerWaalsContact CD1-SD 3.59Å; I39-M74 HydrophobicContact CG1-CE 3.82Å
40D89.4Confident91.4Very high107 Ų10750.8 Ų50.857%0.57226%0.256SS*.Hα-helixtrans-60.2-33.6178.8-168.350.7000112.2L36 K37 I42L36-D40 PolarHBondContact O-N 3.18Å; K37-D40 PolarHBondContact O-N 3.28Å; D40-I42 VanDerWaalsContact C-N 3.31Å; D40-I42 PolarHBondContact O-N 2.9Å
41R87.1Confident91.2Very high73 Ų7352.2 Ų52.228%0.27526%0.264SS..Hα-helixtrans-66.2-28.4174.2-68.7-70.3-67.2141.8-5.3113.8K37 A38 I39 I137 Q138 L303K37-R41 VanDerWaalsContact O-CG 3.31Å; K37-R41 WeakPolarHBondContact O-CG 3.38Å; K37-R41 PolarHBondContact O-N 3.14Å; A38-R41 PolarHBondContact O-N 2.79Å; I39-R41 PolarHBondContact O-N 3.4Å; R41-I137 HydrophobicContact CB-CG2 4.12Å; R41-I137 HydrophobicContact CG-CG2 4.5Å; R41-Q138 PolarHBondContact NH2-O 3.18Å; R41-L303 HydrophobicContact CG-CB 4.45Å
42I86.5Confident91Very high18 Ų1854.7 Ų54.79%0.09228%0.281CS..Hα-helixtrans-105.1-49.5-170.9-61.8167.4000111.8V12 F16 A38 I39 D40 L134 I137V12-I42 HydrophobicContact CG1-CG2 3.71Å; F16-I42 HydrophobicContact CE2-CG2 4.22Å; A38-I42 WeakPolarHBondContact O-CG1 3.41Å; A38-I42 PolarHBondContact O-N 3.32Å; I39-I42 PolarHBondContact O-N 3.49Å; D40-I42 VanDerWaalsContact C-N 3.31Å; D40-I42 PolarHBondContact O-N 2.9Å; I42-L134 HydrophobicContact CD1-CB 3.64Å; I42-L134 HydrophobicContact CD1-CD1 4.05Å; I42-L134 HydrophobicContact CD1-CD2 3.86Å; I42-L134 HydrophobicContact CD1-CG 4.03Å; I42-I137 HydrophobicContact CD1-CD1 4.02Å; I42-I137 HydrophobicContact CD1-CG1 3.95Å; I42-I137 HydrophobicContact CG1-CG1 4.34Å
43A87.8Confident91.1Very high1 Ų153.9 Ų53.91%0.00828%0.277CS..  trans-125.992.7-169.100000110.4F16 I39 I47 L48F16-A43 HydrophobicContact CD1-CB 4.46Å; F16-A43 HydrophobicContact CE1-CB 4.02Å; F16-A43 HydrophobicContact CZ-CB 4.25Å; I39-A43 HydrophobicContact CG2-CB 4.48Å; I39-A43 PolarHBondContact O-N 3.44Å; A43-I47 HydrophobicContact CB-CG2 4.48Å; A43-L48 HydrophobicContact CB-CD2 4.01Å; A43-L48 HydrophobicContact CB-CG 4.3Å
44S87.4Confident91.1Very high46 Ų4653.9 Ų53.932%0.32227%0.272SS..  trans-59.6159.5173.772.20000112.1S46 I47 L48S44-S46 PolarHBondContact O-N 3.2Å; S44-S46 PolarHBondContact OG-OG 2.85Å; S44-I47 WeakPolarHBondContact O-CB 3.46Å; S44-I47 PolarHBondContact O-N 3.03Å; S44-L48 PolarHBondContact O-N 3.15Å
45M89.8Confident91.3Very high77 Ų7753.8 Ų53.838%0.37927%0.27SS..Hα-helixtrans-54.1-28.5174.7-78.7-58.9-59.900113.9L48 R49 V56M45-L48 HydrophobicContact SD-CD1 4.09Å; M45-R49 WeakPolarHBondContact O-CB 3.33Å; M45-R49 VanDerWaalsContact O-CG 3.24Å; M45-R49 WeakPolarHBondContact O-CG 3.47Å; M45-R49 PolarHBondContact O-N 3.3Å; M45-V56 HydrophobicContact CE-CG2 4.17Å; M45-V56 HydrophobicContact SD-CB 4.25Å; M45-V56 HydrophobicContact SD-CG2 3.49Å; M45-V56 WeakPolarHBondContact SD-CG2 3.43Å
46S91Very high91.3Very high74 Ų7455.4 Ų55.452%0.51728%0.28SS..Hα-helixtrans-64.8-42175.470.50000112.1S44 Q50S44-S46 PolarHBondContact O-N 3.2Å; S44-S46 PolarHBondContact OG-OG 2.85Å; S46-Q50 WeakPolarHBondContact O-CG 3.35Å; S46-Q50 PolarHBondContact O-N 3.35Å
47I90.1Very high91.4Very high28 Ų2856.2 Ų56.214%0.14428%0.281CS..Hα-helixtrans-70.1-45.1177.3-64.5170.7000109.7L13 A43 S44 R49 Q50 L51L13-I47 HydrophobicContact CD1-CD1 4.09Å; L13-I47 HydrophobicContact CD2-CD1 4.15Å; L13-I47 HydrophobicContact CD2-CG2 3.84Å; A43-I47 HydrophobicContact CB-CG2 4.48Å; S44-I47 WeakPolarHBondContact O-CB 3.46Å; S44-I47 PolarHBondContact O-N 3.03Å; I47-R49 VanDerWaalsContact C-N 3.28Å; I47-R49 PolarHBondContact O-N 2.93Å; I47-Q50 WeakPolarHBondContact O-CB 3.28Å; I47-Q50 PolarHBondContact O-N 3.22Å; I47-L51 PolarHBondContact O-N 3.24Å
48L92.8Very high91.6Very high4 Ų459.9 Ų59.92%0.02130%0.297CS..Hα-helixtrans-60.7-38.3178.3-65.5178000111.9F16 L29 A43 S44 M45 Q50 L51 S52 V53 V56F16-L48 HydrophobicContact CE1-CD2 4.49Å; L29-L48 HydrophobicContact CD2-CD1 4.34Å; L29-L48 HydrophobicContact CD2-CD2 4.39Å; A43-L48 HydrophobicContact CB-CD2 4.01Å; A43-L48 HydrophobicContact CB-CG 4.3Å; S44-L48 PolarHBondContact O-N 3.15Å; M45-L48 HydrophobicContact SD-CD1 4.09Å; L48-Q50 VanDerWaalsContact C-N 3.33Å; L48-Q50 PolarHBondContact O-N 3.15Å; L48-L51 CarbonylContact O-C 3.57Å; L48-L51 WeakPolarHBondContact O-CA 3.16Å; L48-L51 WeakPolarHBondContact O-CB 3.46Å; L48-L51 PolarHBondContact O-N 3.48Å; L48-S52 PolarHBondContact O-N 3.41Å; L48-V53 HydrophobicContact CB-CB 4.06Å; L48-V53 HydrophobicContact CB-CG1 4.44Å; L48-V53 HydrophobicContact CB-CG2 4.44Å; L48-V53 VanDerWaalsContact O-CB 3.25Å; L48-V53 WeakPolarHBondContact O-CB 3.32Å; L48-V53 PolarHBondContact O-N 3.33Å; L48-V56 HydrophobicContact CD1-CG2 3.74Å
49R94.1Very high91.7Very high171 Ų17161 Ų6165%0.64530%0.303SS*.Hα-helixtrans-62.9-37.2173.7-77.1178-178.3-157.63.5112.9M45 I47 L51 S52M45-R49 WeakPolarHBondContact O-CB 3.33Å; M45-R49 VanDerWaalsContact O-CG 3.24Å; M45-R49 WeakPolarHBondContact O-CG 3.47Å; M45-R49 PolarHBondContact O-N 3.3Å; I47-R49 VanDerWaalsContact C-N 3.28Å; I47-R49 PolarHBondContact O-N 2.93Å; R49-L51 PolarHBondContact O-N 3.17Å; R49-S52 PolarHBondContact O-N 2.95Å
50Q92.2Very high91.8Very high153 Ų15363.4 Ų63.472%0.71532%0.324SS*.Hα-helixtrans-62.8-29.9173-67.3169.6-1.800111.8S46 I47 L48 S52S46-Q50 WeakPolarHBondContact O-CG 3.35Å; S46-Q50 PolarHBondContact O-N 3.35Å; I47-Q50 WeakPolarHBondContact O-CB 3.28Å; I47-Q50 PolarHBondContact O-N 3.22Å; L48-Q50 VanDerWaalsContact C-N 3.33Å; L48-Q50 PolarHBondContact O-N 3.15Å; Q50-S52 PolarHBondContact O-N 3.4Å
51L92.1Very high91.8Very high34 Ų3466.1 Ų66.118%0.17833%0.333CS..THydrogen-bonded Turntrans-83.515.6174.3-58.7176.1000113.7F16 F20 K27 I47 L48 R49 V53F16-L51 HydrophobicContact CB-CD1 3.9Å; F16-L51 HydrophobicContact CD1-CD1 4.21Å; F20-L51 HydrophobicContact CB-CB 4.35Å; F20-L51 HydrophobicContact CD2-CD1 4.02Å; F20-L51 HydrophobicContact CG-CB 4.4Å; F20-L51 HydrophobicContact CG-CD1 4.45Å; K27-L51 PolarHBondContact NZ-O 2.93Å; I47-L51 PolarHBondContact O-N 3.24Å; L48-L51 CarbonylContact O-C 3.57Å; L48-L51 WeakPolarHBondContact O-CA 3.16Å; L48-L51 WeakPolarHBondContact O-CB 3.46Å; L48-L51 PolarHBondContact O-N 3.48Å; R49-L51 PolarHBondContact O-N 3.17Å; L51-V53 PolarHBondContact O-N 3.16Å
52S93.3Very high91.9Very high54 Ų5466.5 Ų66.538%0.37835%0.347SS..THydrogen-bonded Turntrans62.722.8-178-54.70000114.6G25 K27 L48 R49 Q50G25-S52 WeakPolarHBondContact O-CB 3.24Å; K27-S52 PolarHBondContact N-O 2.89Å; L48-S52 PolarHBondContact O-N 3.41Å; R49-S52 PolarHBondContact O-N 2.95Å; Q50-S52 PolarHBondContact O-N 3.4Å
53V95.4Very high92.1Very high1 Ų166.7 Ų66.71%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-83.3115.6170.2-178.70000109F20 K27 L29 L48 L51 V56F20-V53 HydrophobicContact CD1-CG2 4.04Å; F20-V53 HydrophobicContact CE1-CG2 3.64Å; F20-V53 HydrophobicContact CZ-CG2 4.28Å; K27-V53 HydrophobicContact CD-CG2 4.28Å; K27-V53 HydrophobicContact CG-CG2 4.15Å; K27-V53 WeakPolarHBondContact O-CA 3.27Å; L29-V53 HydrophobicContact CB-CG1 3.54Å; L29-V53 HydrophobicContact CD2-CG1 4.49Å; L48-V53 HydrophobicContact CB-CB 4.06Å; L48-V53 HydrophobicContact CB-CG1 4.44Å; L48-V53 HydrophobicContact CB-CG2 4.44Å; L48-V53 VanDerWaalsContact O-CB 3.25Å; L48-V53 WeakPolarHBondContact O-CB 3.32Å; L48-V53 PolarHBondContact O-N 3.33Å; L51-V53 PolarHBondContact O-N 3.16Å; V53-V56 HydrophobicContact CG1-CG2 4.1Å
54T93.3Very high92.2Very high51 Ų5168 Ų6831%0.31336%0.358SS..EExtended strand (participates in β ladder)trans-80.8-43.7-17757.90000112Q26 K27Q26-T54 HydrophobicContact CB-CG2 3.93Å; Q26-T54 HydrophobicContact CG-CG2 4.23Å; K27-T54 PolarHBondContact O-N 3.34Å; K27-T54 PolarHBondContact O-OG1 3.37Å
55K93.7Very high92.3Very high106 Ų10672.9 Ų72.946%0.46137%0.373SS..EExtended strand (participates in β ladder)trans-145.3150-178-65.2-175.6-177.8173.20110.5I28 L29 F57I28-K55 HydrophobicContact CG2-CB 4.46Å; L29-K55 PolarHBondContact N-O 2.84Å; K55-F57 HydrophobicContact CB-CD2 4.33Å; K55-F57 HydrophobicContact CB-CE2 3.57Å; K55-F57 HydrophobicContact CB-CZ 3.72Å; K55-F57 HydrophobicContact CD-CE1 4.44Å; K55-F57 HydrophobicContact CD-CE2 4.17Å; K55-F57 HydrophobicContact CD-CZ 3.58Å; K55-F57 HydrophobicContact CG-CZ 4.28Å
56V94.1Very high92.1Very high44 Ų4472.3 Ų72.327%0.26738%0.381SS..EExtended strand (participates in β ladder)trans-114.7130.3174.1-175.30000107.7L29 V31 M45 L48 V53L29-V56 HydrophobicContact CB-CG2 4.24Å; L29-V56 HydrophobicContact CD2-CG1 4.37Å; L29-V56 HydrophobicContact CD2-CG2 4.16Å; L29-V56 HydrophobicContact CG-CG1 4.48Å; L29-V56 CarbonylContact O-C 3.5Å; L29-V56 VanDerWaalsContact O-CA 3.28Å; L29-V56 WeakPolarHBondContact O-CA 3.22Å; V31-V56 HydrophobicContact CG2-CG1 3.73Å; M45-V56 HydrophobicContact CE-CG2 4.17Å; M45-V56 HydrophobicContact SD-CB 4.25Å; M45-V56 HydrophobicContact SD-CG2 3.49Å; M45-V56 WeakPolarHBondContact SD-CG2 3.43Å; L48-V56 HydrophobicContact CD1-CG2 3.74Å; V53-V56 HydrophobicContact CG1-CG2 4.1Å
57F94.4Very high92Very high76 Ų7674 Ų7433%0.33338%0.384SS..EExtended strand (participates in β ladder)trans-128.4153.2174.9-54-81.4000110.3I28 L29 L30 V31 K55 Y68I28-F57 HydrophobicContact CB-CE2 4.44Å; I28-F57 HydrophobicContact CG2-CE2 4.23Å; L29-F57 PolarHBondContact O-N 2.9Å; L30-F57 CarbonylContact C-O 3.54Å; L30-F57 WeakPolarHBondContact CA-O 3.36Å; L30-F57 HydrophobicContact CD2-CB 3.66Å; L30-F57 HydrophobicContact CD2-CD2 3.96Å; L30-F57 HydrophobicContact CD2-CG 4.27Å; V31-F57 PolarHBondContact N-O 3.06Å; K55-F57 HydrophobicContact CB-CD2 4.33Å; K55-F57 HydrophobicContact CB-CE2 3.57Å; K55-F57 HydrophobicContact CB-CZ 3.72Å; K55-F57 HydrophobicContact CD-CE1 4.44Å; K55-F57 HydrophobicContact CD-CE2 4.17Å; K55-F57 HydrophobicContact CD-CZ 3.58Å; K55-F57 HydrophobicContact CG-CZ 4.28Å; F57-Y68 HydrophobicContact CE2-CE2 4.44Å
58K95.8Very high92.1Very high132 Ų13274.4 Ų74.457%0.57438%0.384SS*.EExtended strand (participates in β ladder)trans-70.7139.4165.6-175.4-179.4178.7-179.50109V31 A33 L36 A60V31-K58 WeakPolarHBondContact O-CA 3.32Å; A33-K58 VanDerWaalsContact CB-CE 3.45Å; L36-K58 HydrophobicContact CD1-CB 4.18Å; L36-K58 HydrophobicContact CD1-CD 4.38Å; L36-K58 HydrophobicContact CD1-CG 4.1Å; K58-A60 PolarHBondContact O-N 3.08Å
59I94.4Very high92.1Very high24 Ų2480.2 Ų80.212%0.12341%0.411CS..  trans-61.1121.9171.9-65.4168.6000108.7L30 V31 D32 Y73 I75L30-I59 HydrophobicContact CB-CG1 3.79Å; V31-I59 PolarHBondContact O-N 2.73Å; D32-I59 HydrophobicContact CB-CD1 4.42Å; I59-Y73 HydrophobicContact CD1-CD1 4.27Å; I59-Y73 HydrophobicContact CG1-CD1 4.48Å; I59-I75 HydrophobicContact CD1-CG2 3.33Å
60A92.7Very high92.1Very high58 Ų5876.3 Ų76.348%0.47940%0.396SS..  trans-105.2172174.500000110K58 H88K58-A60 PolarHBondContact O-N 3.08Å; A60-H88 PolarHBondContact O-CE1 2.87Å; A60-H88 VanDerWaalsContact O-CE1 3.29Å; A60-H88 PolarHBondContact O-NE2 2.99Å
61E89.4Confident92.3Very high163 Ų16369 Ų6976%0.76236%0.362SS*.SBendtrans-66.1-38.7177.5-173.7172.2-162.900112.2H88E61-H88 PolarHBondContact O-CD2 2.92Å; E61-H88 PolarHBondContact O-NE2 3.36Å
62S89.4Confident92.5Very high82 Ų8267.4 Ų67.457%0.57335%0.354SS*.SBendtrans-90.8148175.658.10000112H88S62-H88 PolarHBondContact O-NE2 3.19Å
63P90.4Very high92.7Very high22 Ų2264.8 Ų64.814%0.14334%0.336CS..PPolyproline II helixtrans-65.4157.6176.127.8-34.9000111.3H88 V91P63-H88 HydrophobicContact CB-CB 4.01Å; P63-V91 HydrophobicContact CG-CB 4Å; P63-V91 HydrophobicContact CG-CG1 3.63Å
64P91.4Very high92.8Very high27 Ų2764.8 Ų64.818%0.17534%0.335CS..PPolyproline II helixtrans-65.8172.3176.832.4-38.7000111.6I28 L30 Y68 I71 R99I28-P64 HydrophobicContact CD1-CB 3.93Å; I28-P64 HydrophobicContact CD1-CG 3.8Å; L30-P64 HydrophobicContact CD1-CG 4.05Å; P64-Y68 HydrophobicContact CB-CD2 4.02Å; P64-Y68 HydrophobicContact CB-CE2 4.5Å; P64-I71 HydrophobicContact CG-CD1 3.58Å; P64-R99 PolarHBondContact O-NH2 3.07Å
65K88.9Confident92.9Very high150 Ų15062.3 Ų62.365%0.65232%0.32SS*.PPolyproline II helixtrans-53.3144.4179.9-63-175.5-179.5-172.50112.9D67 Y68 R99K65-D67 VanDerWaalsContact C-OD1 3.3Å; K65-D67 WeakPolarHBondContact CB-OD1 3.04Å; K65-D67 PolarHBondContact O-N 3.34Å; K65-D67 VanDerWaalsContact O-N 3.15Å; K65-Y68 HydrophobicContact CB-CD2 4.07Å; K65-Y68 HydrophobicContact CB-CE2 3.98Å; K65-Y68 HydrophobicContact CG-CE2 4.49Å; K65-Y68 WeakPolarHBondContact O-CD2 3.47Å; K65-Y68 PolarHBondContact O-N 3.08Å; K65-R99 PolarHBondContact O-NH2 3.34Å
66A86.1Confident93Very high65 Ų6557.8 Ų57.854%0.53730%0.302SS..THydrogen-bonded Turntrans-61.1-22.4-172.200000114.7Y68 I97 R99A66-Y68 VanDerWaalsContact C-N 3.25Å; A66-Y68 PolarHBondContact O-N 3.34Å; A66-I97 HydrophobicContact CB-CD1 3.9Å; A66-R99 VanDerWaalsContact CA-NH2 3.31Å
67D88.2Confident92.9Very high109 Ų10956.6 Ų56.658%0.58330%0.295SS*.THydrogen-bonded Turntrans-68.2-18.6178.859-34.2000113.9K65 E69K65-D67 VanDerWaalsContact C-OD1 3.3Å; K65-D67 WeakPolarHBondContact CB-OD1 3.04Å; K65-D67 PolarHBondContact O-N 3.34Å; K65-D67 VanDerWaalsContact O-N 3.15Å; D67-E69 PolarHBondContact O-N 2.8Å
68Y91.8Very high92.6Very high37 Ų3755.2 Ų55.215%0.14529%0.29CS..  trans-82.1103.1176.9-59.8-61.2000111.9I28 F57 P64 K65 A66 R99I28-Y68 HydrophobicContact CB-CD1 4.48Å; I28-Y68 HydrophobicContact CD1-CD1 4.25Å; I28-Y68 HydrophobicContact CD1-CD2 3.72Å; I28-Y68 HydrophobicContact CD1-CE2 4.35Å; I28-Y68 HydrophobicContact CD1-CG 3.64Å; I28-Y68 HydrophobicContact CG1-CD1 4.38Å; I28-Y68 HydrophobicContact CG1-CG 4.15Å; I28-Y68 HydrophobicContact CG2-CD1 3.35Å; I28-Y68 HydrophobicContact CG2-CE1 3.45Å; I28-Y68 VanDerWaalsContact CG2-CE1 3.45Å; I28-Y68 HydrophobicContact CG2-CG 3.92Å; F57-Y68 HydrophobicContact CE2-CE2 4.44Å; P64-Y68 HydrophobicContact CB-CD2 4.02Å; P64-Y68 HydrophobicContact CB-CE2 4.5Å; K65-Y68 HydrophobicContact CB-CD2 4.07Å; K65-Y68 HydrophobicContact CB-CE2 3.98Å; K65-Y68 HydrophobicContact CG-CE2 4.49Å; K65-Y68 WeakPolarHBondContact O-CD2 3.47Å; K65-Y68 PolarHBondContact O-N 3.08Å; A66-Y68 VanDerWaalsContact C-N 3.25Å; A66-Y68 PolarHBondContact O-N 3.34Å; Y68-R99 WeakPolarHBondContact O-CD 3.47Å; Y68-R99 PolarHBondContact O-NE 3.48Å
69E92.1Very high92.2Very high126 Ų12653.4 Ų53.459%0.58928%0.282SS*.  trans-77.8-30.2179.9-62.9-179.3171.700114.3D67 R99 T100D67-E69 PolarHBondContact O-N 2.8Å; E69-R99 CarbonylContact O-C 3.59Å; E69-R99 VanDerWaalsContact O-CA 3.3Å; E69-R99 WeakPolarHBondContact O-CA 3.43Å; E69-R99 WeakPolarHBondContact O-CB 3.33Å; E69-T100 PolarHBondContact O-N 3.18Å
70R95.2Very high91.9Very high88 Ų8855.5 Ų55.533%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-121.9119-175-70.2178.1179.971.82.5110.5L23 P24 K27 I28 T100L23-R70 HydrophobicContact CD1-CB 4.46Å; L23-R70 HydrophobicContact CD1-CG 4.34Å; L23-R70 HydrophobicContact CD2-CB 4.25Å; L23-R70 HydrophobicContact CG-CB 4.4Å; P24-R70 WeakPolarHBondContact O-CD 3.3Å; P24-R70 PolarHBondContact O-NE 2.95Å; K27-R70 WeakPolarHBondContact CA-O 3.24Å; K27-R70 HydrophobicContact CB-CB 3.93Å; I28-R70 PolarHBondContact N-O 3.3Å; I28-R70 VanDerWaalsContact N-O 3.08Å; R70-T100 WeakPolarHBondContact CA-O 3.38Å
71I96.2Very high91.9Very high0 Ų053 Ų530%028%0.277CS..EExtended strand (participates in β ladder)trans-126.9123.9-175.5-51.8-176000109.7I28 L30 P64 Y73 R99 T100 R101 L102I28-I71 HydrophobicContact CD1-CD1 4.29Å; I28-I71 HydrophobicContact CD1-CG1 4.02Å; I28-I71 HydrophobicContact CD1-CG2 4.33Å; I28-I71 HydrophobicContact CG1-CB 4.33Å; I28-I71 HydrophobicContact CG1-CG1 3.94Å; I28-I71 HydrophobicContact CG1-CG2 4.2Å; L30-I71 HydrophobicContact CD1-CG2 3.65Å; L30-I71 HydrophobicContact CG-CG2 3.87Å; P64-I71 HydrophobicContact CG-CD1 3.58Å; I71-Y73 HydrophobicContact CB-CE2 4.01Å; I71-Y73 HydrophobicContact CG2-CD2 3.85Å; I71-Y73 HydrophobicContact CG2-CE1 4.43Å; I71-Y73 HydrophobicContact CG2-CE2 3.37Å; I71-R99 VanDerWaalsContact CD1-CD 3.46Å; I71-T100 PolarHBondContact N-O 3.33Å; I71-R101 CarbonylContact O-C 3.57Å; I71-R101 VanDerWaalsContact O-CA 3.3Å; I71-R101 WeakPolarHBondContact O-CA 3.37Å; I71-L102 PolarHBondContact O-N 2.97Å
72A96.8Very high92Very high0 Ų045.2 Ų45.20%024%0.241CC..EExtended strand (participates in β ladder)trans-99.3131.2165.300000108.9F20 L23 I28 L29 L30 L102 I104F20-A72 HydrophobicContact CE1-CB 4.01Å; L23-A72 HydrophobicContact CD2-CB 4.31Å; I28-A72 PolarHBondContact O-N 3.21Å; L29-A72 CarbonylContact C-O 3.6Å; L29-A72 WeakPolarHBondContact CA-O 3.27Å; L29-A72 HydrophobicContact CD1-CB 3.84Å; L30-A72 PolarHBondContact N-O 2.83Å; A72-L102 CarbonylContact C-O 3.56Å; A72-L102 WeakPolarHBondContact CA-O 3.35Å; A72-I104 HydrophobicContact CB-CD1 4.48Å
73Y97.3Very high92.1Very high0 Ų043.5 Ų43.50%023%0.225CC..EExtended strand (participates in β ladder)trans-104.8135.8171.2-67.1-95.6000108.6L30 I59 I71 V85 H88 R101 L102 I104L30-Y73 HydrophobicContact CB-CD1 3.94Å; L30-Y73 HydrophobicContact CB-CE1 4.22Å; L30-Y73 HydrophobicContact CD1-CD1 4Å; L30-Y73 HydrophobicContact CD1-CE1 3.41Å; L30-Y73 VanDerWaalsContact CD1-CE1 3.41Å; L30-Y73 HydrophobicContact CG-CE1 4.38Å; L30-Y73 CarbonylContact O-C 3.52Å; L30-Y73 WeakPolarHBondContact O-CA 3.46Å; I59-Y73 HydrophobicContact CD1-CD1 4.27Å; I59-Y73 HydrophobicContact CG1-CD1 4.48Å; I71-Y73 HydrophobicContact CB-CE2 4.01Å; I71-Y73 HydrophobicContact CG2-CD2 3.85Å; I71-Y73 HydrophobicContact CG2-CE1 4.43Å; I71-Y73 HydrophobicContact CG2-CE2 3.37Å; Y73-V85 HydrophobicContact CD1-CB 4.47Å; Y73-V85 HydrophobicContact CD1-CG1 4.2Å; Y73-V85 HydrophobicContact CD1-CG2 3.59Å; Y73-V85 HydrophobicContact CD2-CG1 4.16Å; Y73-V85 HydrophobicContact CE1-CB 4.5Å; Y73-V85 HydrophobicContact CE1-CG1 4.14Å; Y73-V85 HydrophobicContact CE1-CG2 3.99Å; Y73-V85 HydrophobicContact CE2-CG1 4.14Å; Y73-V85 HydrophobicContact CG-CG1 4.19Å; Y73-V85 HydrophobicContact CG-CG2 4.02Å; Y73-H88 AromaticContact CE1-ND1 3.63Å; Y73-H88 AromaticContact CZ-ND1 3.9Å; Y73-H88 PolarHBondContact OH-ND1 2.67Å; Y73-R101 HydrophobicContact CE2-CB 4.42Å; Y73-R101 HydrophobicContact CE2-CG 4.14Å; Y73-L102 PolarHBondContact N-O 2.91Å; Y73-I104 WeakPolarHBondContact O-CA 3.21Å; Y73-I104 WeakPolarHBondContact O-CB 3.4Å; Y73-I104 PolarHBondContact O-N 2.71Å
74M97.1Very high92.1Very high0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-117.8110.7168.4-78.6177.380.600108.4F16 F20 L29 L30 V31 D32 I39 I104 I106 L132F16-M74 HydrophobicContact CE1-CE 4.14Å; F16-M74 HydrophobicContact CZ-CE 4.15Å; F20-M74 HydrophobicContact CZ-SD 4.26Å; L29-M74 HydrophobicContact CD1-CB 4.4Å; L29-M74 HydrophobicContact CD1-CG 3.77Å; L29-M74 HydrophobicContact CD1-SD 3.74Å; L29-M74 HydrophobicContact CD2-SD 3.9Å; L29-M74 HydrophobicContact CG-SD 4.34Å; L30-M74 PolarHBondContact O-N 3.46Å; V31-M74 HydrophobicContact CG1-CB 4.47Å; V31-M74 HydrophobicContact CG2-CB 4.45Å; D32-M74 PolarHBondContact N-O 3.18Å; I39-M74 HydrophobicContact CD1-CB 4.32Å; I39-M74 HydrophobicContact CD1-CE 3.37Å; I39-M74 HydrophobicContact CD1-SD 3.59Å; I39-M74 VanDerWaalsContact CD1-SD 3.59Å; I39-M74 HydrophobicContact CG1-CE 3.82Å; M74-I104 WeakPolarHBondContact CA-O 3.39Å; M74-I104 HydrophobicContact CG-CB 3.91Å; M74-I104 HydrophobicContact CG-CD1 4.02Å; M74-I104 HydrophobicContact CG-CG1 4.47Å; M74-I104 HydrophobicContact CG-CG2 4.26Å; M74-I106 HydrophobicContact CE-CD1 3.78Å; M74-I106 HydrophobicContact CE-CG1 4.17Å; M74-L132 HydrophobicContact CE-CD2 3.98Å
75I96.3Very high92.2Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-135.8150.7-173.959.1171.3000111.3D32 I59 V85 I103 I104 F105 I106D32-I75 HydrophobicContact CB-CG2 4.35Å; I59-I75 HydrophobicContact CD1-CG2 3.33Å; I75-V85 HydrophobicContact CD1-CG2 4.02Å; I75-V85 HydrophobicContact CG2-CG2 4.33Å; I75-I103 HydrophobicContact CD1-CG2 3.68Å; I75-I103 HydrophobicContact CG1-CG2 3.81Å; I75-I104 PolarHBondContact N-O 2.9Å; I75-F105 HydrophobicContact CD1-CD1 4.24Å; I75-F105 HydrophobicContact CD1-CE1 3.6Å; I75-F105 HydrophobicContact CD1-CZ 4.34Å; I75-F105 HydrophobicContact CG1-CD1 3.93Å; I75-F105 HydrophobicContact CG1-CE1 3.82Å; I75-F105 WeakPolarHBondContact O-CA 3.5Å; I75-I106 PolarHBondContact O-N 2.77Å
76P94.4Very high92.3Very high10 Ų1036.2 Ų36.27%0.06519%0.194CC..  trans-66.2157.2163.731.7-34.8000109.7E78 S81P76-E78 HydrophobicContact CB-CG 4.06Å; P76-E78 HydrophobicContact CG-CB 4.28Å; P76-E78 HydrophobicContact CG-CG 4.11Å; P76-E78 PolarHBondContact O-N 2.94Å; P76-S81 WeakPolarHBondContact CG-OG 3.41Å
77P91.6Very high92.6Very high20 Ų2038 Ų3813%0.1319%0.19CC..SBendtrans-76.848.6176.535-38.2000111.6F105 I106 K108 T110 V113 W163P77-F105 HydrophobicContact CB-CD1 4.17Å; P77-I106 WeakPolarHBondContact CD-O 3.44Å; P77-K108 WeakPolarHBondContact CG-O 3.5Å; P77-T110 HydrophobicContact CB-CG2 3.78Å; P77-T110 HydrophobicContact CG-CG2 3.98Å; P77-V113 HydrophobicContact CB-CG2 4.29Å; P77-W163 HydrophobicContact CG-CH2 3.76Å; P77-W163 HydrophobicContact CG-CZ2 3.89Å
78E88.7Confident92.9Very high47 Ų4732.8 Ų32.822%0.2216%0.162CC..  trans-101.9146.6179.1-69.4176.9-160.600110.5P76 S80 S81 C82P76-E78 HydrophobicContact CB-CG 4.06Å; P76-E78 HydrophobicContact CG-CB 4.28Å; P76-E78 HydrophobicContact CG-CG 4.11Å; P76-E78 PolarHBondContact O-N 2.94Å; E78-S80 VanDerWaalsContact C-N 3.34Å; E78-S80 PolarHBondContact O-N 3.47Å; E78-S81 PolarHBondContact O-N 3.47Å; E78-C82 PolarHBondContact O-N 3.44Å; E78-C82 PolarHBondContact O-SG 3.02Å
79F87.4Confident92.8Very high94 Ų9431.4 Ų31.441%0.41216%0.158SC..Hα-helixtrans-59.6-43.4-179.7-172.9-104.1000112.5C82 L83 L116 L819F79-C82 PolarHBondContact O-N 2.94Å; F79-L83 HydrophobicContact CD1-CD1 3.64Å; F79-L83 HydrophobicContact CD1-CG 4.01Å; F79-L83 HydrophobicContact CE1-CD1 3.27Å; F79-L83 HydrophobicContact CE1-CD2 4.23Å; F79-L83 HydrophobicContact CE1-CG 3.77Å; F79-L83 HydrophobicContact CZ-CD1 3.97Å; F79-L83 HydrophobicContact CZ-CD2 4.08Å; F79-L83 HydrophobicContact CZ-CG 4.06Å; F79-L83 WeakPolarHBondContact O-CB 3.49Å; F79-L83 WeakPolarHBondContact O-CG 3.24Å; F79-L83 PolarHBondContact O-N 2.84Å; F79-L116 HydrophobicContact CD2-CD1 4.48Å; F79-L116 HydrophobicContact CD2-CD2 3.53Å; F79-L116 HydrophobicContact CE2-CD1 3.73Å; F79-L116 HydrophobicContact CE2-CD2 3.58Å; F79-L116 HydrophobicContact CE2-CG 4.28Å; F79-L819 HydrophobicContact CD1-CD2 4.06Å; F79-L819 HydrophobicContact CD2-CD2 4.47Å; F79-L819 HydrophobicContact CE1-CD2 4.25Å; F79-L819 HydrophobicContact CG-CD2 4.17Å
80S88.6Confident92.8Very high68 Ų6829.2 Ų29.248%0.47615%0.147SC..Hα-helixtrans-60.2-45.4179.153.50000112.8E78 L83 S84E78-S80 VanDerWaalsContact C-N 3.34Å; E78-S80 PolarHBondContact O-N 3.47Å; S80-L83 PolarHBondContact O-N 3.13Å; S80-S84 PolarHBondContact O-N 3.18Å; S80-S84 VanDerWaalsContact O-N 3.13Å; S80-S84 PolarHBondContact O-OG 3.05Å
81S91.8Very high92.6Very high4 Ų427.3 Ų27.33%0.02815%0.146CC..Hα-helixtrans-67.5-39.5177.1-55.70000111.2D32 P76 E78 S84 V85D32-S81 PolarHBondContact OD2-OG 3.35Å; P76-S81 WeakPolarHBondContact CG-OG 3.41Å; E78-S81 PolarHBondContact O-N 3.47Å; S81-S84 WeakPolarHBondContact O-CB 3.38Å; S81-S84 PolarHBondContact O-N 3.43Å; S81-V85 PolarHBondContact O-N 3.27Å
82C91.6Very high92.4Very high1 Ų127.4 Ų27.41%0.00715%0.146CC..Hα-helixtrans-64.5-43.7175.2-65.20000112.4E78 F79 S84 V85 I86 V113 L116E78-C82 PolarHBondContact O-N 3.44Å; E78-C82 PolarHBondContact O-SG 3.02Å; F79-C82 PolarHBondContact O-N 2.94Å; C82-S84 PolarHBondContact O-N 3.12Å; C82-V85 PolarHBondContact O-N 3.24Å; C82-V85 VanDerWaalsContact O-N 3.12Å; C82-I86 WeakPolarHBondContact O-CG1 3.44Å; C82-I86 PolarHBondContact O-N 3.36Å; C82-V113 WeakPolarHBondContact SG-CG1 3.27Å; C82-L116 HydrophobicContact CB-CD2 3.9Å
83L91.1Very high92Very high46 Ų4634.2 Ų34.224%0.24118%0.178CC..Hα-helixtrans-58.3-37.1175.3-79.5-176.3000112.2F79 S80 V85 I86 K87F79-L83 HydrophobicContact CD1-CD1 3.64Å; F79-L83 HydrophobicContact CD1-CG 4.01Å; F79-L83 HydrophobicContact CE1-CD1 3.27Å; F79-L83 HydrophobicContact CE1-CD2 4.23Å; F79-L83 HydrophobicContact CE1-CG 3.77Å; F79-L83 HydrophobicContact CZ-CD1 3.97Å; F79-L83 HydrophobicContact CZ-CD2 4.08Å; F79-L83 HydrophobicContact CZ-CG 4.06Å; F79-L83 WeakPolarHBondContact O-CB 3.49Å; F79-L83 WeakPolarHBondContact O-CG 3.24Å; F79-L83 PolarHBondContact O-N 2.84Å; S80-L83 PolarHBondContact O-N 3.13Å; L83-V85 VanDerWaalsContact C-N 3.33Å; L83-V85 PolarHBondContact O-N 3.39Å; L83-I86 HydrophobicContact CD2-CD1 4.43Å; L83-I86 PolarHBondContact O-N 3.19Å; L83-K87 WeakPolarHBondContact O-CG 3.32Å; L83-K87 PolarHBondContact O-N 3.07Å
84S91.9Very high91.6Very high42 Ų4238.9 Ų38.929%0.29421%0.21SC..Hα-helixtrans-63.1-41.1177.1-58.90000111.5S80 S81 C82 H88S80-S84 PolarHBondContact O-N 3.18Å; S80-S84 VanDerWaalsContact O-N 3.13Å; S80-S84 PolarHBondContact O-OG 3.05Å; S81-S84 WeakPolarHBondContact O-CB 3.38Å; S81-S84 PolarHBondContact O-N 3.43Å; C82-S84 PolarHBondContact O-N 3.12Å; S84-H88 PolarHBondContact O-CD2 3.49Å; S84-H88 VanDerWaalsContact O-CD2 3.23Å; S84-H88 PolarHBondContact O-N 3.22Å
85V92.9Very high91.3Very high1 Ų145.5 Ų45.51%0.00624%0.239CC..Hα-helixtrans-69.2-39.4175.2-176.20000111.7Y73 I75 S81 C82 L83 H88 C89 I103Y73-V85 HydrophobicContact CD1-CB 4.47Å; Y73-V85 HydrophobicContact CD1-CG1 4.2Å; Y73-V85 HydrophobicContact CD1-CG2 3.59Å; Y73-V85 HydrophobicContact CD2-CG1 4.16Å; Y73-V85 HydrophobicContact CE1-CB 4.5Å; Y73-V85 HydrophobicContact CE1-CG1 4.14Å; Y73-V85 HydrophobicContact CE1-CG2 3.99Å; Y73-V85 HydrophobicContact CE2-CG1 4.14Å; Y73-V85 HydrophobicContact CG-CG1 4.19Å; Y73-V85 HydrophobicContact CG-CG2 4.02Å; I75-V85 HydrophobicContact CD1-CG2 4.02Å; I75-V85 HydrophobicContact CG2-CG2 4.33Å; S81-V85 PolarHBondContact O-N 3.27Å; C82-V85 PolarHBondContact O-N 3.24Å; C82-V85 VanDerWaalsContact O-N 3.12Å; L83-V85 VanDerWaalsContact C-N 3.33Å; L83-V85 PolarHBondContact O-N 3.39Å; V85-H88 WeakPolarHBondContact O-CB 3.15Å; V85-H88 PolarHBondContact O-N 3.35Å; V85-C89 PolarHBondContact O-N 3.33Å; V85-C89 PolarHBondContact O-SG 3.33Å; V85-I103 HydrophobicContact CB-CD1 4.43Å; V85-I103 HydrophobicContact CG1-CD1 3.66Å; V85-I103 HydrophobicContact CG1-CG1 4.15Å
86I91.6Very high91Very high3 Ų351.8 Ų51.82%0.01527%0.273CS..Hα-helixtrans-59.9-47.9175.5-73.3163.1000110.7C82 L83 H88 C89 E90 L116 L117 R120 F122C82-I86 WeakPolarHBondContact O-CG1 3.44Å; C82-I86 PolarHBondContact O-N 3.36Å; L83-I86 HydrophobicContact CD2-CD1 4.43Å; L83-I86 PolarHBondContact O-N 3.19Å; I86-H88 VanDerWaalsContact C-N 3.27Å; I86-H88 PolarHBondContact O-N 3.31Å; I86-C89 WeakPolarHBondContact O-CA 3.27Å; I86-C89 WeakPolarHBondContact O-CB 3.21Å; I86-C89 PolarHBondContact O-N 3.07Å; I86-E90 HydrophobicContact CG2-CG 4.32Å; I86-E90 WeakPolarHBondContact CG2-OE1 3.45Å; I86-E90 WeakPolarHBondContact O-CG 3.46Å; I86-E90 PolarHBondContact O-N 3.29Å; I86-L116 HydrophobicContact CD1-CD2 4.16Å; I86-L116 HydrophobicContact CD1-CG 4.09Å; I86-L117 HydrophobicContact CD1-CD2 4.34Å; I86-L117 HydrophobicContact CG1-CD2 4.2Å; I86-R120 HydrophobicContact CD1-CG 4.27Å; I86-F122 HydrophobicContact CB-CE2 4.3Å; I86-F122 HydrophobicContact CG1-CD2 4.1Å; I86-F122 HydrophobicContact CG1-CE2 4.18Å; I86-F122 HydrophobicContact CG2-CD2 4.38Å; I86-F122 HydrophobicContact CG2-CE2 3.61Å; I86-F122 HydrophobicContact CG2-CZ 4.3Å
87K92.1Very high90.8Very high101 Ų10153.2 Ų53.244%0.43928%0.279SS..Hα-helixtrans-56.7-40.8175.8-75.1177.2178.3-175.30112.1L83 C89 E90 V91L83-K87 WeakPolarHBondContact O-CG 3.32Å; L83-K87 PolarHBondContact O-N 3.07Å; K87-C89 VanDerWaalsContact C-N 3.31Å; K87-C89 PolarHBondContact O-N 3.37Å; K87-E90 PolarHBondContact O-N 3.44Å; K87-V91 VanDerWaalsContact O-CG2 3.3Å; K87-V91 WeakPolarHBondContact O-CG2 3.5Å; K87-V91 PolarHBondContact O-N 3.43Å
88H93.6Very high90.7Very high1 Ų160.5 Ų60.51%0.00531%0.309CS..Hα-helixtrans-61.5-42.1174.8-72.5-167.4000111.7A60 E61 S62 P63 Y73 S84 V85 I86 D92A60-H88 PolarHBondContact O-CE1 2.87Å; A60-H88 VanDerWaalsContact O-CE1 3.29Å; A60-H88 PolarHBondContact O-NE2 2.99Å; E61-H88 PolarHBondContact O-CD2 2.92Å; E61-H88 PolarHBondContact O-NE2 3.36Å; S62-H88 PolarHBondContact O-NE2 3.19Å; P63-H88 HydrophobicContact CB-CB 4.01Å; Y73-H88 AromaticContact CE1-ND1 3.63Å; Y73-H88 AromaticContact CZ-ND1 3.9Å; Y73-H88 PolarHBondContact OH-ND1 2.67Å; S84-H88 PolarHBondContact O-CD2 3.49Å; S84-H88 VanDerWaalsContact O-CD2 3.23Å; S84-H88 PolarHBondContact O-N 3.22Å; V85-H88 WeakPolarHBondContact O-CB 3.15Å; V85-H88 PolarHBondContact O-N 3.35Å; I86-H88 VanDerWaalsContact C-N 3.27Å; I86-H88 PolarHBondContact O-N 3.31Å; H88-D92 WeakPolarHBondContact O-CB 3.4Å; H88-D92 VanDerWaalsContact O-CG 3.25Å; H88-D92 PolarHBondContact O-N 3.44Å
89C90.8Very high90.8Very high8 Ų858.6 Ų58.65%0.05430%0.3CS..Hα-helixtrans-65-43.4178.1-62.30000112V85 I86 K87 D92 Q93 F122V85-C89 PolarHBondContact O-N 3.33Å; V85-C89 PolarHBondContact O-SG 3.33Å; I86-C89 WeakPolarHBondContact O-CA 3.27Å; I86-C89 WeakPolarHBondContact O-CB 3.21Å; I86-C89 PolarHBondContact O-N 3.07Å; K87-C89 VanDerWaalsContact C-N 3.31Å; K87-C89 PolarHBondContact O-N 3.37Å; C89-D92 PolarHBondContact O-N 3.21Å; C89-Q93 WeakPolarHBondContact O-CB 3.39Å; C89-Q93 PolarHBondContact O-N 3.44Å; C89-F122 HydrophobicContact CB-CD1 3.86Å; C89-F122 HydrophobicContact CB-CE1 3.58Å; C89-F122 HydrophobicContact CB-CZ 4.07Å
90E91.1Very high91.1Very high80 Ų8057 Ų5737%0.37430%0.297SS..Hα-helixtrans-62.1-44.5177.4-69.117217200111.7I86 K87 D92 Q93 S94 R120 F122I86-E90 HydrophobicContact CG2-CG 4.32Å; I86-E90 WeakPolarHBondContact CG2-OE1 3.45Å; I86-E90 WeakPolarHBondContact O-CG 3.46Å; I86-E90 PolarHBondContact O-N 3.29Å; K87-E90 PolarHBondContact O-N 3.44Å; E90-D92 PolarHBondContact O-N 3.32Å; E90-Q93 PolarHBondContact O-N 2.59Å; E90-S94 PolarHBondContact O-N 3.41Å; E90-R120 IonicContact OE1-NH1 2.83Å; E90-R120 PolarHBondContact OE1-NH1 3.23Å; E90-F122 HydrophobicContact CG-CZ 3.83Å
91V91.8Very high91.4Very high48 Ų4854.6 Ų54.629%0.29128%0.278SS..Hα-helixtrans-62.6-44.9176.31730000111P63 K87 Q93 S94 K95P63-V91 HydrophobicContact CG-CB 4Å; P63-V91 HydrophobicContact CG-CG1 3.63Å; K87-V91 VanDerWaalsContact O-CG2 3.3Å; K87-V91 WeakPolarHBondContact O-CG2 3.5Å; K87-V91 PolarHBondContact O-N 3.43Å; V91-Q93 VanDerWaalsContact C-N 3.31Å; V91-Q93 PolarHBondContact O-N 3.33Å; V91-S94 PolarHBondContact O-N 3.01Å; V91-S94 PolarHBondContact O-OG 2.8Å; V91-K95 HydrophobicContact CG1-CD 4.14Å; V91-K95 PolarHBondContact O-N 2.92Å; V91-K95 VanDerWaalsContact O-N 3.08Å
92D91Very high91.6Very high2 Ų254.4 Ų54.41%0.01128%0.277CS..Hα-helixtrans-64.4-37178.3-72.1-23.4000112.1H88 C89 E90 K95 N96 I97 R99 R101H88-D92 WeakPolarHBondContact O-CB 3.4Å; H88-D92 VanDerWaalsContact O-CG 3.25Å; H88-D92 PolarHBondContact O-N 3.44Å; C89-D92 PolarHBondContact O-N 3.21Å; E90-D92 PolarHBondContact O-N 3.32Å; D92-K95 CarbonylContact O-C 3.53Å; D92-K95 PolarHBondContact O-N 3.26Å; D92-N96 PolarHBondContact O-N 3.06Å; D92-I97 HydrophobicContact CB-CB 4.24Å; D92-I97 PolarHBondContact O-N 2.68Å; D92-R99 IonicContact OD1-CZ 3.56Å; D92-R99 IonicContact OD1-NH1 3.13Å; D92-R99 PolarHBondContact OD1-NH1 3.21Å; D92-R99 IonicContact OD2-CZ 3.96Å; D92-R99 IonicContact OD2-NE 3.65Å; D92-R99 IonicContact OD2-NH1 3.82Å; D92-R99 PolarHBondContact OD2-NH1 2.83Å; D92-R101 VanDerWaalsContact CB-NH2 3.33Å; D92-R101 IonicContact OD2-CZ 3.95Å; D92-R101 IonicContact OD2-NE 3.83Å; D92-R101 IonicContact OD2-NH2 3.26Å; D92-R101 PolarHBondContact OD2-NH2 2.92Å
93Q88.2Confident91.8Very high143 Ų14354.5 Ų54.567%0.66828%0.277SS*.Hα-helixtrans-63.2-45.6174.5-173.2176.910.300111.4C89 E90 V91 K95 N96C89-Q93 WeakPolarHBondContact O-CB 3.39Å; C89-Q93 PolarHBondContact O-N 3.44Å; E90-Q93 PolarHBondContact O-N 2.59Å; V91-Q93 VanDerWaalsContact C-N 3.31Å; V91-Q93 PolarHBondContact O-N 3.33Å; Q93-K95 PolarHBondContact O-N 2.61Å; Q93-N96 PolarHBondContact O-N 3.39Å; Q93-N96 VanDerWaalsContact O-N 3.11Å
94S90.5Very high92.1Very high97 Ų9752.3 Ų52.368%0.67827%0.266SS*.Hα-helixtrans-61.8-31.6177.274.70000113.2E90 V91E90-S94 PolarHBondContact O-N 3.41Å; V91-S94 PolarHBondContact O-N 3.01Å; V91-S94 PolarHBondContact O-OG 2.8Å
95K91Very high92.4Very high139 Ų13950.3 Ų50.360%0.60425%0.252SS*.THydrogen-bonded Turntrans-92.73.1178.7-67.2-179.9-179.9177.50113.4V91 D92 Q93 I97V91-K95 HydrophobicContact CG1-CD 4.14Å; V91-K95 PolarHBondContact O-N 2.92Å; V91-K95 VanDerWaalsContact O-N 3.08Å; D92-K95 CarbonylContact O-C 3.53Å; D92-K95 PolarHBondContact O-N 3.26Å; Q93-K95 PolarHBondContact O-N 2.61Å; K95-I97 HydrophobicContact CB-CD1 3.74Å; K95-I97 HydrophobicContact CB-CG1 3.78Å; K95-I97 HydrophobicContact CD-CD1 4.12Å; K95-I97 PolarHBondContact O-N 3.14Å
96N88.7Confident92.5Very high132 Ų13250.8 Ų50.871%0.70625%0.254SS*.THydrogen-bonded Turntrans53.636.3-176.1-162.720.7000113.7D92 Q93D92-N96 PolarHBondContact O-N 3.06Å; Q93-N96 PolarHBondContact O-N 3.39Å; Q93-N96 VanDerWaalsContact O-N 3.11Å
97I90.7Very high92.5Very high40 Ų4051.1 Ų51.121%0.20526%0.256CS..  trans-90.4116178.7-57.4172.2000108.5A66 D92 K95 R99A66-I97 HydrophobicContact CB-CD1 3.9Å; D92-I97 HydrophobicContact CB-CB 4.24Å; D92-I97 PolarHBondContact O-N 2.68Å; K95-I97 HydrophobicContact CB-CD1 3.74Å; K95-I97 HydrophobicContact CB-CG1 3.78Å; K95-I97 HydrophobicContact CD-CD1 4.12Å; K95-I97 PolarHBondContact O-N 3.14Å; I97-R99 HydrophobicContact CG2-CG 4.03Å
98K89.4Confident92.6Very high174 Ų17449.4 Ų49.476%0.75725%0.249SC*.  trans-90.4125.3178.6-64.6-174.5179.9-177.30110.7
99R91.1Very high92.5Very high7 Ų751.4 Ų51.43%0.02626%0.258CS..  trans-142.2152.8179-60-179.8168148.2-3.3110.8P64 K65 A66 Y68 E69 I71 D92 I97 R101P64-R99 PolarHBondContact O-NH2 3.07Å; K65-R99 PolarHBondContact O-NH2 3.34Å; A66-R99 VanDerWaalsContact CA-NH2 3.31Å; Y68-R99 WeakPolarHBondContact O-CD 3.47Å; Y68-R99 PolarHBondContact O-NE 3.48Å; E69-R99 CarbonylContact O-C 3.59Å; E69-R99 VanDerWaalsContact O-CA 3.3Å; E69-R99 WeakPolarHBondContact O-CA 3.43Å; E69-R99 WeakPolarHBondContact O-CB 3.33Å; I71-R99 VanDerWaalsContact CD1-CD 3.46Å; D92-R99 IonicContact OD1-CZ 3.56Å; D92-R99 IonicContact OD1-NH1 3.13Å; D92-R99 PolarHBondContact OD1-NH1 3.21Å; D92-R99 IonicContact OD2-CZ 3.96Å; D92-R99 IonicContact OD2-NE 3.65Å; D92-R99 IonicContact OD2-NH1 3.82Å; D92-R99 PolarHBondContact OD2-NH1 2.83Å; I97-R99 HydrophobicContact CG2-CG 4.03Å; R99-R101 PolarHBondContact O-NH1 2.89Å
100T93.9Very high92.5Very high59 Ų5952.6 Ų52.636%0.36227%0.265SS..EExtended strand (participates in β ladder)trans-100.5127.6168.1-48.60000109.1L23 E69 R70 I71L23-T100 HydrophobicContact CD1-CG2 3.62Å; E69-T100 PolarHBondContact O-N 3.18Å; R70-T100 WeakPolarHBondContact CA-O 3.38Å; I71-T100 PolarHBondContact N-O 3.33Å
101R94.8Very high92.4Very high19 Ų1954.9 Ų54.97%0.07228%0.284CS..EExtended strand (participates in β ladder)trans-119.4143.1-174.5-62.5177.5-170.376.2-4111.3I71 Y73 D92 R99 H126 L127 C128I71-R101 CarbonylContact O-C 3.57Å; I71-R101 VanDerWaalsContact O-CA 3.3Å; I71-R101 WeakPolarHBondContact O-CA 3.37Å; Y73-R101 HydrophobicContact CE2-CB 4.42Å; Y73-R101 HydrophobicContact CE2-CG 4.14Å; D92-R101 VanDerWaalsContact CB-NH2 3.33Å; D92-R101 IonicContact OD2-CZ 3.95Å; D92-R101 IonicContact OD2-NE 3.83Å; D92-R101 IonicContact OD2-NH2 3.26Å; D92-R101 PolarHBondContact OD2-NH2 2.92Å; R99-R101 PolarHBondContact O-NH1 2.89Å; R101-H126 PolarHBondContact N-O 3Å; R101-L127 HydrophobicContact CB-CB 4.38Å; R101-L127 HydrophobicContact CB-CD1 4.41Å; R101-L127 HydrophobicContact CB-CG 4.25Å; R101-L127 WeakPolarHBondContact O-CA 3.13Å; R101-C128 PolarHBondContact O-N 3.45Å; R101-C128 PolarHBondContact O-SG 3.47Å; R101-C128 VanDerWaalsContact O-SG 3.41Å
102L96.1Very high92.2Very high0 Ų056.1 Ų56.10%030%0.3CS..EExtended strand (participates in β ladder)trans-123.9121.8168.1171.864.7000108V19 L22 L23 I71 A72 Y73 I104 C128 A130V19-L102 HydrophobicContact CG1-CD2 4.44Å; L22-L102 HydrophobicContact CB-CD1 4.37Å; L22-L102 HydrophobicContact CB-CD2 4.34Å; L22-L102 HydrophobicContact CD1-CD1 4.37Å; L23-L102 HydrophobicContact CB-CB 4.08Å; L23-L102 HydrophobicContact CB-CD2 3.97Å; L23-L102 HydrophobicContact CD2-CB 3.99Å; L23-L102 HydrophobicContact CG-CB 4.5Å; I71-L102 PolarHBondContact O-N 2.97Å; A72-L102 CarbonylContact C-O 3.56Å; A72-L102 WeakPolarHBondContact CA-O 3.35Å; Y73-L102 PolarHBondContact N-O 2.91Å; L102-I104 HydrophobicContact CD2-CD1 4.01Å; L102-I104 HydrophobicContact CD2-CG1 3.94Å; L102-I104 HydrophobicContact CG-CD1 4.41Å; L102-I104 HydrophobicContact CG-CG1 3.84Å; L102-C128 CarbonylContact C-O 3.53Å; L102-C128 WeakPolarHBondContact CA-O 3.34Å; L102-C128 WeakPolarHBondContact CD1-SG 3.23Å; L102-A130 HydrophobicContact CD1-CB 3.96Å
103I96.4Very high92.1Very high2 Ų256.3 Ų56.31%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-98.6118.4171.7-55.4-178.6000108.6I75 V85 F105 L117 L127 C128 T129 A130I75-I103 HydrophobicContact CD1-CG2 3.68Å; I75-I103 HydrophobicContact CG1-CG2 3.81Å; V85-I103 HydrophobicContact CB-CD1 4.43Å; V85-I103 HydrophobicContact CG1-CD1 3.66Å; V85-I103 HydrophobicContact CG1-CG1 4.15Å; I103-F105 HydrophobicContact CB-CE2 4.36Å; I103-F105 HydrophobicContact CB-CZ 4.44Å; I103-F105 HydrophobicContact CG2-CD1 4.39Å; I103-F105 HydrophobicContact CG2-CD2 4.25Å; I103-F105 HydrophobicContact CG2-CE1 3.84Å; I103-F105 HydrophobicContact CG2-CE2 3.74Å; I103-F105 HydrophobicContact CG2-CZ 3.49Å; I103-F105 VanDerWaalsContact CG2-CZ 3.49Å; I103-L117 HydrophobicContact CD1-CD1 4.06Å; I103-L117 HydrophobicContact CD1-CD2 4.24Å; I103-L127 HydrophobicContact CD1-CD1 3.97Å; I103-L127 HydrophobicContact CD1-CD2 3.99Å; I103-L127 HydrophobicContact CD1-CG 4.24Å; I103-L127 HydrophobicContact CG1-CD1 4.46Å; I103-L127 HydrophobicContact CG1-CD2 4.38Å; I103-L127 HydrophobicContact CG1-CG 4.4Å; I103-C128 PolarHBondContact N-O 3.44Å; I103-T129 HydrophobicContact CB-CG2 4.38Å; I103-T129 CarbonylContact O-C 3.58Å; I103-T129 VanDerWaalsContact O-CA 3.29Å; I103-T129 WeakPolarHBondContact O-CA 3.32Å; I103-A130 PolarHBondContact O-N 3Å
104I97.2Very high92.1Very high0 Ų051.1 Ų51.10%028%0.279CS..EExtended strand (participates in β ladder)trans-104.5109.5178.5-53.1172.4000107.8V19 F20 A72 Y73 M74 I75 L102 I106 A130 L132V19-I104 HydrophobicContact CG1-CD1 3.7Å; V19-I104 HydrophobicContact CG1-CG1 3.76Å; V19-I104 HydrophobicContact CG1-CG2 4.01Å; F20-I104 HydrophobicContact CE1-CD1 4.22Å; F20-I104 HydrophobicContact CE2-CD1 4.05Å; F20-I104 HydrophobicContact CZ-CD1 3.88Å; A72-I104 HydrophobicContact CB-CD1 4.48Å; Y73-I104 WeakPolarHBondContact O-CA 3.21Å; Y73-I104 WeakPolarHBondContact O-CB 3.4Å; Y73-I104 PolarHBondContact O-N 2.71Å; M74-I104 WeakPolarHBondContact CA-O 3.39Å; M74-I104 HydrophobicContact CG-CB 3.91Å; M74-I104 HydrophobicContact CG-CD1 4.02Å; M74-I104 HydrophobicContact CG-CG1 4.47Å; M74-I104 HydrophobicContact CG-CG2 4.26Å; I75-I104 PolarHBondContact N-O 2.9Å; L102-I104 HydrophobicContact CD2-CD1 4.01Å; L102-I104 HydrophobicContact CD2-CG1 3.94Å; L102-I104 HydrophobicContact CG-CD1 4.41Å; L102-I104 HydrophobicContact CG-CG1 3.84Å; I104-I106 HydrophobicContact CG2-CD1 4.02Å; I104-A130 CarbonylContact C-O 3.6Å; I104-A130 WeakPolarHBondContact CA-O 3.19Å; I104-L132 HydrophobicContact CG2-CB 3.5Å; I104-L132 VanDerWaalsContact CG2-CB 3.5Å; I104-L132 HydrophobicContact CG2-CD2 4.02Å; I104-L132 HydrophobicContact CG2-CG 4.44Å
105F96.7Very high92.1Very high0 Ų054.2 Ų54.20%028%0.277CS..EExtended strand (participates in β ladder)trans-83.2130176.6-68.6-70.1000111.6I75 P77 I103 P107 E109 V113 L117 T129 A130 L132I75-F105 HydrophobicContact CD1-CD1 4.24Å; I75-F105 HydrophobicContact CD1-CE1 3.6Å; I75-F105 HydrophobicContact CD1-CZ 4.34Å; I75-F105 HydrophobicContact CG1-CD1 3.93Å; I75-F105 HydrophobicContact CG1-CE1 3.82Å; I75-F105 WeakPolarHBondContact O-CA 3.5Å; P77-F105 HydrophobicContact CB-CD1 4.17Å; I103-F105 HydrophobicContact CB-CE2 4.36Å; I103-F105 HydrophobicContact CB-CZ 4.44Å; I103-F105 HydrophobicContact CG2-CD1 4.39Å; I103-F105 HydrophobicContact CG2-CD2 4.25Å; I103-F105 HydrophobicContact CG2-CE1 3.84Å; I103-F105 HydrophobicContact CG2-CE2 3.74Å; I103-F105 HydrophobicContact CG2-CZ 3.49Å; I103-F105 VanDerWaalsContact CG2-CZ 3.49Å; F105-P107 CarbonylContact O-C 3.56Å; F105-E109 HydrophobicContact CB-CB 4.13Å; F105-E109 HydrophobicContact CD2-CB 3.61Å; F105-E109 HydrophobicContact CD2-CG 3.62Å; F105-E109 HydrophobicContact CE2-CB 4.34Å; F105-E109 HydrophobicContact CE2-CG 3.84Å; F105-E109 HydrophobicContact CG-CB 4.06Å; F105-E109 HydrophobicContact CG-CG 4.34Å; F105-V113 HydrophobicContact CD1-CG1 4.42Å; F105-V113 HydrophobicContact CE1-CB 4.46Å; F105-V113 HydrophobicContact CE1-CG1 3.43Å; F105-V113 VanDerWaalsContact CE1-CG1 3.43Å; F105-V113 HydrophobicContact CE2-CG1 4.09Å; F105-V113 HydrophobicContact CZ-CB 4.43Å; F105-V113 HydrophobicContact CZ-CG1 3.21Å; F105-L117 HydrophobicContact CE2-CD1 4.28Å; F105-L117 HydrophobicContact CZ-CD1 3.97Å; F105-T129 HydrophobicContact CE2-CG2 3.86Å; F105-A130 PolarHBondContact N-O 3.35Å; F105-L132 PolarHBondContact O-N 2.73Å
106I95.6Very high92Very high12 Ų1248.6 Ų48.66%0.06225%0.254CS..SBendtrans-112.7122.7178.7-54.6-57.9000110.4L35 M74 I75 P77 I104 L132 L134L35-I106 HydrophobicContact CD1-CB 3.86Å; L35-I106 HydrophobicContact CD1-CG1 3.76Å; L35-I106 HydrophobicContact CD1-CG2 4.46Å; L35-I106 HydrophobicContact CD2-CB 4.17Å; L35-I106 HydrophobicContact CD2-CG2 3.9Å; M74-I106 HydrophobicContact CE-CD1 3.78Å; M74-I106 HydrophobicContact CE-CG1 4.17Å; I75-I106 PolarHBondContact O-N 2.77Å; P77-I106 WeakPolarHBondContact CD-O 3.44Å; I104-I106 HydrophobicContact CG2-CD1 4.02Å; I106-L132 HydrophobicContact CD1-CB 3.7Å; I106-L132 HydrophobicContact CD1-CD2 4.05Å; I106-L132 HydrophobicContact CD1-CG 4Å; I106-L132 WeakPolarHBondContact CD1-O 3.24Å; I106-L134 HydrophobicContact CD1-CD2 4.4Å; I106-L134 HydrophobicContact CD1-CG 4.5Å; I106-L134 HydrophobicContact CG2-CD1 3.86Å; I106-L134 HydrophobicContact CG2-CG 3.82Å
107P92.8Very high92.1Very high9 Ų942.4 Ų42.46%0.05822%0.22CC..SBendcis-82.8-18.9-2.534.3-36.6000113.3F105 L132 S133 L148 W163 Y166F105-P107 CarbonylContact O-C 3.56Å; P107-L132 CarbonylContact C-O 3.54Å; P107-L132 WeakPolarHBondContact CA-O 3.31Å; P107-L132 CarbonylContact O-C 3.46Å; P107-L132 PolarHBondContact O-N 3.06Å; P107-S133 PolarHBondContact O-N 3.35Å; P107-L148 HydrophobicContact CG-CD2 4.15Å; P107-W163 HydrophobicContact CG-CE3 4.17Å; P107-W163 HydrophobicContact CG-CH2 4.09Å; P107-W163 HydrophobicContact CG-CZ3 3.43Å; P107-W163 VanDerWaalsContact CG-CZ3 3.43Å; P107-Y166 HydrophobicContact CB-CE1 3.94Å; P107-Y166 HydrophobicContact CB-CE2 3.98Å; P107-Y166 VanDerWaalsContact CB-CZ 3.49Å; P107-Y166 VanDerWaalsContact CB-OH 3.31Å; P107-Y166 WeakPolarHBondContact CB-OH 3.47Å; P107-Y166 HydrophobicContact CG-CD1 4.3Å; P107-Y166 HydrophobicContact CG-CE1 3.88Å; P107-Y166 HydrophobicContact CG-CE2 4.3Å
108K92.9Very high92Very high66 Ų6645.5 Ų45.529%0.28723%0.234SC..  trans-154.1157.7179.366.4179.3-177.9178.40111.9P77 S131 C162 W163P77-K108 WeakPolarHBondContact CG-O 3.5Å; K108-S131 WeakPolarHBondContact CA-OG 3.35Å; K108-C162 WeakPolarHBondContact CE-SG 3.22Å; K108-C162 PolarHBondContact NZ-SG 3.05Å; K108-W163 HydrophobicContact CG-CH2 4.47Å; K108-W163 HydrophobicContact CG-CZ3 4.21Å
109E91.9Very high92Very high43 Ų4340.6 Ų40.620%0.20122%0.221CC..  trans-67.8141170.4-172.2170.8-17900110.4F105 T114 T129 S131F105-E109 HydrophobicContact CB-CB 4.13Å; F105-E109 HydrophobicContact CD2-CB 3.61Å; F105-E109 HydrophobicContact CD2-CG 3.62Å; F105-E109 HydrophobicContact CE2-CB 4.34Å; F105-E109 HydrophobicContact CE2-CG 3.84Å; F105-E109 HydrophobicContact CG-CB 4.06Å; F105-E109 HydrophobicContact CG-CG 4.34Å; E109-T114 VanDerWaalsContact CD-OG1 3.23Å; E109-T114 WeakPolarHBondContact CG-OG1 3.3Å; E109-T114 WeakPolarHBondContact OE1-CB 3.37Å; E109-T114 PolarHBondContact OE1-OG1 3.31Å; E109-T129 PolarHBondContact OE1-OG1 3.31Å; E109-T129 WeakPolarHBondContact OE2-CB 3.46Å; E109-T129 PolarHBondContact OE2-OG1 3.22Å; E109-S131 WeakPolarHBondContact CB-OG 3.25Å; E109-S131 PolarHBondContact N-OG 2.81Å
110T90Very high91.7Very high32 Ų3245.9 Ų45.920%0.19624%0.241CC..  trans-110.1150.4174.960.70000109.8P77 A112 V113 T114 W163P77-T110 HydrophobicContact CB-CG2 3.78Å; P77-T110 HydrophobicContact CG-CG2 3.98Å; T110-A112 PolarHBondContact O-N 2.85Å; T110-V113 PolarHBondContact O-N 3.1Å; T110-V113 WeakPolarHBondContact OG1-CG2 3.33Å; T110-T114 PolarHBondContact O-N 3.01Å; T110-T114 VanDerWaalsContact O-N 3.1Å; T110-T114 PolarHBondContact O-OG1 3.25Å; T110-W163 HydrophobicContact CG2-CH2 4.45Å
111V88.9Confident91.3Very high128 Ų12846.1 Ų46.178%0.77626%0.256SS*.Hα-helixtrans-55.6-38.1-179.6179.50000111.6V113 T114 Y115V111-V113 VanDerWaalsContact C-N 3.32Å; V111-V113 PolarHBondContact O-N 2.76Å; V111-T114 PolarHBondContact O-N 3.35Å; V111-Y115 WeakPolarHBondContact O-CB 3.4Å; V111-Y115 PolarHBondContact O-N 3.34Å
112A87.6Confident90.7Very high74 Ų7447 Ų4761%0.61226%0.26SS*.Hα-helixtrans-60.1-41178.800000112.5T110 L116T110-A112 PolarHBondContact O-N 2.85Å; A112-L116 PolarHBondContact O-N 2.96Å
113V89.1Confident89.8Confident6 Ų650.1 Ų50.14%0.03628%0.276CS..Hα-helixtrans-75.9-38.8-180172.50000111.6P77 C82 F105 T110 V111 Y115 L116 L117P77-V113 HydrophobicContact CB-CG2 4.29Å; C82-V113 WeakPolarHBondContact SG-CG1 3.27Å; F105-V113 HydrophobicContact CD1-CG1 4.42Å; F105-V113 HydrophobicContact CE1-CB 4.46Å; F105-V113 HydrophobicContact CE1-CG1 3.43Å; F105-V113 VanDerWaalsContact CE1-CG1 3.43Å; F105-V113 HydrophobicContact CE2-CG1 4.09Å; F105-V113 HydrophobicContact CZ-CB 4.43Å; F105-V113 HydrophobicContact CZ-CG1 3.21Å; T110-V113 PolarHBondContact O-N 3.1Å; T110-V113 WeakPolarHBondContact OG1-CG2 3.33Å; V111-V113 VanDerWaalsContact C-N 3.32Å; V111-V113 PolarHBondContact O-N 2.76Å; V113-Y115 VanDerWaalsContact C-N 3.32Å; V113-Y115 PolarHBondContact O-N 2.74Å; V113-L116 WeakPolarHBondContact O-CB 3.35Å; V113-L116 PolarHBondContact O-N 2.85Å; V113-L117 HydrophobicContact CG1-CD1 4.29Å; V113-L117 HydrophobicContact CG1-CG 4.49Å; V113-L117 WeakPolarHBondContact O-CG 3.21Å; V113-L117 PolarHBondContact O-N 3.28Å
114T89.4Confident88.9Confident34 Ų3452.2 Ų52.221%0.20930%0.299CS..Hα-helixtrans-56.5-49.7173.1-48.70000110.2E109 T110 V111 L116 L117 E118E109-T114 VanDerWaalsContact CD-OG1 3.23Å; E109-T114 WeakPolarHBondContact CG-OG1 3.3Å; E109-T114 WeakPolarHBondContact OE1-CB 3.37Å; E109-T114 PolarHBondContact OE1-OG1 3.31Å; T110-T114 PolarHBondContact O-N 3.01Å; T110-T114 VanDerWaalsContact O-N 3.1Å; T110-T114 PolarHBondContact O-OG1 3.25Å; V111-T114 PolarHBondContact O-N 3.35Å; T114-L116 VanDerWaalsContact C-N 3.31Å; T114-L116 PolarHBondContact O-N 3.3Å; T114-L117 PolarHBondContact O-N 3.1Å; T114-E118 HydrophobicContact CG2-CG 4.49Å; T114-E118 WeakPolarHBondContact O-CB 3.5Å; T114-E118 WeakPolarHBondContact O-CG 3.37Å; T114-E118 PolarHBondContact O-N 3.39Å
115Y89.9Confident87.6Confident163 Ų16361 Ų6164%0.63934%0.339SS*.Hα-helixtrans-59.9-39.2176.6179.5-98.8000112.7V111 V113 E118 S119V111-Y115 WeakPolarHBondContact O-CB 3.4Å; V111-Y115 PolarHBondContact O-N 3.34Å; V113-Y115 VanDerWaalsContact C-N 3.32Å; V113-Y115 PolarHBondContact O-N 2.74Å; Y115-E118 PolarHBondContact O-N 2.96Å; Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.36Å; Y115-S119 PolarHBondContact O-N 3.43Å; Y115-S119 PolarHBondContact O-OG 3.49Å
116L89.5Confident87Confident21 Ų2166.2 Ų66.211%0.1136%0.364CS..Hα-helixtrans-62.1-44.2175.8179.764000112F79 C82 I86 A112 V113 T114 S119 R120F79-L116 HydrophobicContact CD2-CD1 4.48Å; F79-L116 HydrophobicContact CD2-CD2 3.53Å; F79-L116 HydrophobicContact CE2-CD1 3.73Å; F79-L116 HydrophobicContact CE2-CD2 3.58Å; F79-L116 HydrophobicContact CE2-CG 4.28Å; C82-L116 HydrophobicContact CB-CD2 3.9Å; I86-L116 HydrophobicContact CD1-CD2 4.16Å; I86-L116 HydrophobicContact CD1-CG 4.09Å; A112-L116 PolarHBondContact O-N 2.96Å; V113-L116 WeakPolarHBondContact O-CB 3.35Å; V113-L116 PolarHBondContact O-N 2.85Å; T114-L116 VanDerWaalsContact C-N 3.31Å; T114-L116 PolarHBondContact O-N 3.3Å; L116-S119 PolarHBondContact O-OG 3.26Å; L116-S119 VanDerWaalsContact O-OG 3.06Å; L116-R120 WeakPolarHBondContact O-CB 3.33Å; L116-R120 VanDerWaalsContact O-CG 3.24Å; L116-R120 WeakPolarHBondContact O-CG 3.16Å; L116-R120 PolarHBondContact O-N 2.67Å
117L90.1Very high86.8Confident2 Ų266 Ų661%0.0136%0.363CS..Hα-helixtrans-70-37179.3-69175.9000112.3I86 I103 F105 V113 T114 G121 F122 T129I86-L117 HydrophobicContact CD1-CD2 4.34Å; I86-L117 HydrophobicContact CG1-CD2 4.2Å; I103-L117 HydrophobicContact CD1-CD1 4.06Å; I103-L117 HydrophobicContact CD1-CD2 4.24Å; F105-L117 HydrophobicContact CE2-CD1 4.28Å; F105-L117 HydrophobicContact CZ-CD1 3.97Å; V113-L117 HydrophobicContact CG1-CD1 4.29Å; V113-L117 HydrophobicContact CG1-CG 4.49Å; V113-L117 WeakPolarHBondContact O-CG 3.21Å; V113-L117 PolarHBondContact O-N 3.28Å; T114-L117 PolarHBondContact O-N 3.1Å; L117-G121 PolarHBondContact O-N 3.09Å; L117-F122 PolarHBondContact O-N 2.95Å; L117-F122 VanDerWaalsContact O-N 3.14Å; L117-T129 HydrophobicContact CD1-CG2 3.73Å
118E88.7Confident86.7Confident104 Ų10467.9 Ų67.949%0.48638%0.375SS..Hα-helixtrans-67-49.4175.8-74.4177.7171.700112.1T114 Y115 R120 G121 L123T114-E118 HydrophobicContact CG2-CG 4.49Å; T114-E118 WeakPolarHBondContact O-CB 3.5Å; T114-E118 WeakPolarHBondContact O-CG 3.37Å; T114-E118 PolarHBondContact O-N 3.39Å; Y115-E118 PolarHBondContact O-N 2.96Å; E118-R120 PolarHBondContact O-N 3.12Å; E118-G121 WeakPolarHBondContact O-CA 3.35Å; E118-G121 PolarHBondContact O-N 3.01Å; E118-L123 HydrophobicContact CG-CB 4.25Å; E118-L123 HydrophobicContact CG-CD2 3.58Å
119S88.8Confident86.8Confident71 Ų7166.4 Ų66.450%0.49737%0.372SS..Hα-helixtrans-63.4-26.9-179.658.30000113.1Y115 L116 G121Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.36Å; Y115-S119 PolarHBondContact O-N 3.43Å; Y115-S119 PolarHBondContact O-OG 3.49Å; L116-S119 PolarHBondContact O-OG 3.26Å; L116-S119 VanDerWaalsContact O-OG 3.06Å; S119-G121 VanDerWaalsContact C-N 3.33Å
120R86.1Confident87Confident118 Ų11864.9 Ų64.945%0.44537%0.366SS..THydrogen-bonded Turntrans-83.6-5.4172.4-66.8-65.3-168.9115.5-0.6113.9I86 E90 L116 E118 F122I86-R120 HydrophobicContact CD1-CG 4.27Å; E90-R120 IonicContact OE1-NH1 2.83Å; E90-R120 PolarHBondContact OE1-NH1 3.23Å; L116-R120 WeakPolarHBondContact O-CB 3.33Å; L116-R120 VanDerWaalsContact O-CG 3.24Å; L116-R120 WeakPolarHBondContact O-CG 3.16Å; L116-R120 PolarHBondContact O-N 2.67Å; E118-R120 PolarHBondContact O-N 3.12Å; R120-F122 VanDerWaalsContact C-N 3.3Å; R120-F122 HydrophobicContact CB-CD2 3.45Å; R120-F122 VanDerWaalsContact CB-CD2 3.45Å; R120-F122 HydrophobicContact CB-CE2 3.65Å; R120-F122 HydrophobicContact CG-CE2 4.47Å; R120-F122 PolarHBondContact O-N 3.11Å
121G84.2Confident87.3Confident64 Ų6465.3 Ų65.366%0.6637%0.371SS*.THydrogen-bonded Turntrans72.219.4177.300000114.5L117 E118 S119L117-G121 PolarHBondContact O-N 3.09Å; E118-G121 WeakPolarHBondContact O-CA 3.35Å; E118-G121 PolarHBondContact O-N 3.01Å; S119-G121 VanDerWaalsContact C-N 3.33Å
122F82.1Confident87.5Confident39 Ų3959.2 Ų59.217%0.17133%0.334CS..  trans-89.1-24.9-178.9-70.9-61.8000113.4I86 C89 E90 L117 R120 G124 L127I86-F122 HydrophobicContact CB-CE2 4.3Å; I86-F122 HydrophobicContact CG1-CD2 4.1Å; I86-F122 HydrophobicContact CG1-CE2 4.18Å; I86-F122 HydrophobicContact CG2-CD2 4.38Å; I86-F122 HydrophobicContact CG2-CE2 3.61Å; I86-F122 HydrophobicContact CG2-CZ 4.3Å; C89-F122 HydrophobicContact CB-CD1 3.86Å; C89-F122 HydrophobicContact CB-CE1 3.58Å; C89-F122 HydrophobicContact CB-CZ 4.07Å; E90-F122 HydrophobicContact CG-CZ 3.83Å; L117-F122 PolarHBondContact O-N 2.95Å; L117-F122 VanDerWaalsContact O-N 3.14Å; R120-F122 VanDerWaalsContact C-N 3.3Å; R120-F122 HydrophobicContact CB-CD2 3.45Å; R120-F122 VanDerWaalsContact CB-CD2 3.45Å; R120-F122 HydrophobicContact CB-CE2 3.65Å; R120-F122 HydrophobicContact CG-CE2 4.47Å; R120-F122 PolarHBondContact O-N 3.11Å; F122-G124 PolarHBondContact O-N 3.29Å; F122-L127 HydrophobicContact CB-CD1 4.29Å; F122-L127 WeakPolarHBondContact O-CB 3.34Å
123L77.9Confident87.8Confident65 Ų6556.1 Ų56.134%0.3431%0.308SS..  trans-68.8122.7179.6-163.570.5000110.3E118 L127 T129E118-L123 HydrophobicContact CG-CB 4.25Å; E118-L123 HydrophobicContact CG-CD2 3.58Å; L123-L127 HydrophobicContact CD1-CD2 4.28Å; L123-T129 HydrophobicContact CD1-CG2 3.87Å
124G77.4Confident87.9Confident46 Ų4656.2 Ų56.247%0.47431%0.308SS..BIsolated β-bridgetrans156.7-149.8-177.600000115.1F122 H126 L127F122-G124 PolarHBondContact O-N 3.29Å; G124-H126 PolarHBondContact O-N 3.32Å; G124-L127 PolarHBondContact N-O 3.1Å; G124-L127 CarbonylContact O-C 3.51Å; G124-L127 PolarHBondContact O-N 2.98Å; G124-L127 VanDerWaalsContact O-N 3.16Å
125Q70.4Confident88Confident183 Ų18354.7 Ų54.786%0.85530%0.299SS*.THydrogen-bonded Turntrans-56.7-27.2-167-70.3-1741.400115.6
126H83.5Confident88.2Confident110 Ų11047.7 Ų47.751%0.50927%0.271SS..THydrogen-bonded Turntrans-109.9-3.7-175.8-60.3-46.2000113.9R101 G124R101-H126 PolarHBondContact N-O 3Å; G124-H126 PolarHBondContact O-N 3.32Å
127L91.1Very high88.3Confident9 Ų947 Ų475%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-145.2118.7-178.9-175.8154.6000109.7R101 I103 F122 L123 G124 T129R101-L127 HydrophobicContact CB-CB 4.38Å; R101-L127 HydrophobicContact CB-CD1 4.41Å; R101-L127 HydrophobicContact CB-CG 4.25Å; R101-L127 WeakPolarHBondContact O-CA 3.13Å; I103-L127 HydrophobicContact CD1-CD1 3.97Å; I103-L127 HydrophobicContact CD1-CD2 3.99Å; I103-L127 HydrophobicContact CD1-CG 4.24Å; I103-L127 HydrophobicContact CG1-CD1 4.46Å; I103-L127 HydrophobicContact CG1-CD2 4.38Å; I103-L127 HydrophobicContact CG1-CG 4.4Å; F122-L127 HydrophobicContact CB-CD1 4.29Å; F122-L127 WeakPolarHBondContact O-CB 3.34Å; L123-L127 HydrophobicContact CD1-CD2 4.28Å; G124-L127 PolarHBondContact N-O 3.1Å; G124-L127 CarbonylContact O-C 3.51Å; G124-L127 PolarHBondContact O-N 2.98Å; G124-L127 VanDerWaalsContact O-N 3.16Å; L127-T129 HydrophobicContact CD2-CG2 4.31Å
128C92.2Very high88.5Confident47 Ų4749.8 Ų49.832%0.31828%0.281SS..EExtended strand (participates in β ladder)trans-115.8155.2173.757.20000110.3R101 L102 I103R101-C128 PolarHBondContact O-N 3.45Å; R101-C128 PolarHBondContact O-SG 3.47Å; R101-C128 VanDerWaalsContact O-SG 3.41Å; L102-C128 CarbonylContact C-O 3.53Å; L102-C128 WeakPolarHBondContact CA-O 3.34Å; L102-C128 WeakPolarHBondContact CD1-SG 3.23Å; I103-C128 PolarHBondContact N-O 3.44Å
129T94.8Very high88.7Confident35 Ų3545.1 Ų45.122%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-112.8153.8175.862.90000110.3I103 F105 E109 L117 L123 L127I103-T129 HydrophobicContact CB-CG2 4.38Å; I103-T129 CarbonylContact O-C 3.58Å; I103-T129 VanDerWaalsContact O-CA 3.29Å; I103-T129 WeakPolarHBondContact O-CA 3.32Å; F105-T129 HydrophobicContact CE2-CG2 3.86Å; E109-T129 PolarHBondContact OE1-OG1 3.31Å; E109-T129 WeakPolarHBondContact OE2-CB 3.46Å; E109-T129 PolarHBondContact OE2-OG1 3.22Å; L117-T129 HydrophobicContact CD1-CG2 3.73Å; L123-T129 HydrophobicContact CD1-CG2 3.87Å; L127-T129 HydrophobicContact CD2-CG2 4.31Å
130A95.6Very high89Confident11 Ų1141.9 Ų41.99%0.09124%0.236CC..EExtended strand (participates in β ladder)trans-148.8158.8171.600000109.9V19 L22 L102 I103 I104 F105V19-A130 HydrophobicContact CG1-CB 3.84Å; L22-A130 HydrophobicContact CD1-CB 3.72Å; L102-A130 HydrophobicContact CD1-CB 3.96Å; I103-A130 PolarHBondContact O-N 3Å; I104-A130 CarbonylContact C-O 3.6Å; I104-A130 WeakPolarHBondContact CA-O 3.19Å; F105-A130 PolarHBondContact N-O 3.35Å
131S95.5Very high89.3Confident41 Ų4139.1 Ų39.129%0.28723%0.233SC..EExtended strand (participates in β ladder)trans-108.2143171.9-66.70000110.1K108 E109K108-S131 WeakPolarHBondContact CA-OG 3.35Å; E109-S131 WeakPolarHBondContact CB-OG 3.25Å; E109-S131 PolarHBondContact N-OG 2.81Å
132L94.6Very high89.8Confident0 Ų037 Ų370%021%0.206CC..  trans-140.6116.3175.8175.164000110.8E15 F16 V19 M74 I104 F105 I106 P107E15-L132 HydrophobicContact CB-CD1 3.85Å; E15-L132 HydrophobicContact CG-CD1 3.63Å; F16-L132 HydrophobicContact CD1-CD2 4.12Å; F16-L132 HydrophobicContact CD2-CD1 3.95Å; F16-L132 HydrophobicContact CD2-CD2 3.86Å; F16-L132 HydrophobicContact CD2-CG 4.38Å; F16-L132 HydrophobicContact CE1-CD2 3.96Å; F16-L132 HydrophobicContact CE2-CD1 4.28Å; F16-L132 HydrophobicContact CE2-CD2 3.72Å; F16-L132 HydrophobicContact CE2-CG 4.27Å; F16-L132 HydrophobicContact CG-CD2 4.07Å; F16-L132 HydrophobicContact CZ-CD2 3.77Å; V19-L132 HydrophobicContact CG2-CB 4.32Å; V19-L132 HydrophobicContact CG2-CD1 4.23Å; M74-L132 HydrophobicContact CE-CD2 3.98Å; I104-L132 HydrophobicContact CG2-CB 3.5Å; I104-L132 VanDerWaalsContact CG2-CB 3.5Å; I104-L132 HydrophobicContact CG2-CD2 4.02Å; I104-L132 HydrophobicContact CG2-CG 4.44Å; F105-L132 PolarHBondContact O-N 2.73Å; I106-L132 HydrophobicContact CD1-CB 3.7Å; I106-L132 HydrophobicContact CD1-CD2 4.05Å; I106-L132 HydrophobicContact CD1-CG 4Å; I106-L132 WeakPolarHBondContact CD1-O 3.24Å; P107-L132 CarbonylContact C-O 3.54Å; P107-L132 WeakPolarHBondContact CA-O 3.31Å; P107-L132 CarbonylContact O-C 3.46Å; P107-L132 PolarHBondContact O-N 3.06Å
133S92.5Very high90.5Very high9 Ų935.1 Ų35.16%0.06320%0.198CC..  trans-80.9122.7173.2-179.30000110E15 P107 S135 Y166 E170E15-S133 PolarHBondContact OE1-N 3.05Å; E15-S133 VanDerWaalsContact OE1-N 3.11Å; P107-S133 PolarHBondContact O-N 3.35Å; S133-S135 PolarHBondContact O-N 2.73Å; S133-S135 PolarHBondContact OG-N 2.85Å; S133-Y166 PolarHBondContact OG-OH 3.37Å; S133-E170 PolarHBondContact OG-OE1 2.91Å
134L91.5Very high91.3Very high9 Ų932.1 Ų32.15%0.04718%0.182CC..  trans-75.7-10.7169.9-64.1-171.8000112.4V12 F16 A38 I42 I106V12-L134 WeakPolarHBondContact CG2-O 3.49Å; F16-L134 HydrophobicContact CE2-CD2 3.72Å; F16-L134 HydrophobicContact CZ-CD2 3.74Å; A38-L134 HydrophobicContact CB-CD1 3.87Å; I42-L134 HydrophobicContact CD1-CB 3.64Å; I42-L134 HydrophobicContact CD1-CD1 4.05Å; I42-L134 HydrophobicContact CD1-CD2 3.86Å; I42-L134 HydrophobicContact CD1-CG 4.03Å; I106-L134 HydrophobicContact CD1-CD2 4.4Å; I106-L134 HydrophobicContact CD1-CG 4.5Å; I106-L134 HydrophobicContact CG2-CD1 3.86Å; I106-L134 HydrophobicContact CG2-CG 3.82Å
135S90.9Very high92.3Very high2 Ų230 Ų301%0.01416%0.16CC..  trans50.2-156.3-175.3-161.20000112.3S133 I137 E170S133-S135 PolarHBondContact O-N 2.73Å; S133-S135 PolarHBondContact OG-N 2.85Å; S135-I137 PolarHBondContact O-N 2.69Å; S135-E170 WeakPolarHBondContact CB-OE2 3.37Å; S135-E170 PolarHBondContact OG-OE2 2.91Å
136W94.3Very high93.5Very high15 Ų1521.8 Ų21.86%0.05712%0.122CC..PPolyproline II helixtrans-73.7120.3-179.5-64.298.5000112.2L8 L144 L146 M167 E170 L171 L174 A795L8-W136 HydrophobicContact CD1-CB 4.46Å; W136-L144 HydrophobicContact CB-CB 4.27Å; W136-L144 HydrophobicContact CB-CD1 4.09Å; W136-L144 HydrophobicContact CD2-CB 4.4Å; W136-L144 HydrophobicContact CE3-CB 3.81Å; W136-L144 HydrophobicContact CG-CD1 4.32Å; W136-L146 HydrophobicContact CD2-CD2 3.78Å; W136-L146 HydrophobicContact CD2-CG 4.02Å; W136-L146 HydrophobicContact CE3-CD2 3.98Å; W136-L146 HydrophobicContact CE3-CG 3.75Å; W136-L146 HydrophobicContact CG-CD2 4.2Å; W136-L146 HydrophobicContact CH2-CD1 3.73Å; W136-L146 HydrophobicContact CH2-CD2 4.35Å; W136-L146 HydrophobicContact CH2-CG 3.66Å; W136-L146 HydrophobicContact CZ2-CD1 3.91Å; W136-L146 HydrophobicContact CZ2-CD2 4.16Å; W136-L146 HydrophobicContact CZ2-CG 3.94Å; W136-L146 HydrophobicContact CZ3-CB 4.48Å; W136-L146 HydrophobicContact CZ3-CD1 4.16Å; W136-L146 HydrophobicContact CZ3-CD2 4.27Å; W136-L146 HydrophobicContact CZ3-CG 3.57Å; W136-M167 HydrophobicContact CH2-CE 3.9Å; W136-M167 HydrophobicContact CH2-CG 4.2Å; W136-M167 HydrophobicContact CZ2-CG 4.5Å; W136-E170 HydrophobicContact CZ2-CB 4.43Å; W136-E170 VanDerWaalsContact NE1-C 3.27Å; W136-E170 PolarHBondContact NE1-O 3.25Å; W136-L171 HydrophobicContact CZ2-CB 4.15Å; W136-L171 HydrophobicContact CZ2-CD1 4.46Å; W136-L174 HydrophobicContact CD2-CD2 4.23Å; W136-L174 HydrophobicContact CG-CD2 4.32Å; W136-A795 HydrophobicContact CE3-CB 4.26Å; W136-A795 HydrophobicContact CH2-CB 3.68Å; W136-A795 HydrophobicContact CZ2-CB 4.31Å; W136-A795 HydrophobicContact CZ3-CB 3.64Å
137I93.3Very high94Very high7 Ų718.5 Ų18.54%0.03611%0.108CC..EExtended strand (participates in β ladder)trans-89.6124.3171.3-55.3178.6000108.4A38 R41 I42 S135 L139 L144 T145 N147 L303A38-I137 HydrophobicContact CB-CD1 3.91Å; R41-I137 HydrophobicContact CB-CG2 4.12Å; R41-I137 HydrophobicContact CG-CG2 4.5Å; I42-I137 HydrophobicContact CD1-CD1 4.02Å; I42-I137 HydrophobicContact CD1-CG1 3.95Å; I42-I137 HydrophobicContact CG1-CG1 4.34Å; S135-I137 PolarHBondContact O-N 2.69Å; I137-L139 HydrophobicContact CG2-CD2 4.45Å; I137-L139 PolarHBondContact O-N 3.12Å; I137-L144 CarbonylContact O-C 3.49Å; I137-L144 WeakPolarHBondContact O-CA 3.48Å; I137-T145 HydrophobicContact CB-CG2 3.97Å; I137-T145 PolarHBondContact N-O 3.2Å; I137-T145 PolarHBondContact O-N 3.34Å; I137-N147 HydrophobicContact CD1-CB 4.18Å; I137-L303 HydrophobicContact CD1-CD2 4.24Å
138Q93Very high94.2Very high60 Ų6018.7 Ų18.728%0.2811%0.109SC..EExtended strand (participates in β ladder)trans-75.6121.9175.3-172.2171.77.800110.5T5 R41 D140 L144T5-Q138 HydrophobicContact CG2-CB 4.41Å; T5-Q138 HydrophobicContact CG2-CG 4.4Å; T5-Q138 PolarHBondContact OG1-OE1 2.79Å; R41-Q138 PolarHBondContact NH2-O 3.18Å; Q138-D140 WeakPolarHBondContact CG-O 3.35Å; Q138-D140 PolarHBondContact NE2-O 3.46Å; Q138-L144 HydrophobicContact CB-CD2 3.77Å; Q138-L144 HydrophobicContact CG-CD2 3.85Å
139L94.1Very high94.1Very high6 Ų618.6 Ų18.63%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-93-43173.2-58.9-171.7000110.7I137 L143 T145 L303 M799I137-L139 HydrophobicContact CG2-CD2 4.45Å; I137-L139 PolarHBondContact O-N 3.12Å; L139-L143 HydrophobicContact CB-CB 4.45Å; L139-L143 HydrophobicContact CB-CD2 4.1Å; L139-L143 HydrophobicContact CB-CG 4.08Å; L139-L143 HydrophobicContact CD1-CD2 4.11Å; L139-L143 HydrophobicContact CD1-CG 4.23Å; L139-L143 PolarHBondContact N-O 3.45Å; L139-T145 HydrophobicContact CD1-CG2 3.82Å; L139-T145 HydrophobicContact CD2-CG2 3.64Å; L139-T145 HydrophobicContact CG-CG2 3.72Å; L139-L303 VanDerWaalsContact CD2-C 3.45Å; L139-L303 HydrophobicContact CD2-CB 4.47Å; L139-L303 HydrophobicContact CD2-CD2 4.32Å; L139-M799 HydrophobicContact CD1-CG 3.66Å; L139-M799 HydrophobicContact CD1-SD 4.23Å
140D94Very high93.8Very high3 Ų318.6 Ų18.62%0.01611%0.108CC..EExtended strand (participates in β ladder)trans-144.1-178.9176.9-155.7-17.2000110.3Q138 D142 L143 S325 R335 R782Q138-D140 WeakPolarHBondContact CG-O 3.35Å; Q138-D140 PolarHBondContact NE2-O 3.46Å; D140-D142 PolarHBondContact O-N 2.81Å; D140-D142 VanDerWaalsContact O-N 3.13Å; D140-L143 HydrophobicContact CB-CB 4.15Å; D140-L143 PolarHBondContact N-O 3.42Å; D140-L143 PolarHBondContact O-N 2.89Å; D140-S325 VanDerWaalsContact CG-OG 3.3Å; D140-S325 WeakPolarHBondContact OD1-CB 3.25Å; D140-S325 PolarHBondContact OD1-N 2.88Å; D140-S325 VanDerWaalsContact OD1-N 3.16Å; D140-S325 PolarHBondContact OD1-OG 3.35Å; D140-S325 PolarHBondContact OD2-OG 3.45Å; D140-R335 IonicContact OD1-NH1 3.18Å; D140-R335 IonicContact OD2-CZ 2.98Å; D140-R335 IonicContact OD2-NH1 2.96Å; D140-R335 PolarHBondContact OD2-NH1 3.15Å; D140-R782 IonicContact OD2-NH2 3.19Å; D140-R782 PolarHBondContact OD2-NH2 3.41Å; D140-R782 VanDerWaalsContact OD2-NH2 3.13Å
141T92Very high93.7Very high61 Ų6118.1 Ų18.137%0.37410%0.104SC..THydrogen-bonded Turntrans-54.4-29.5179.254.50000114.3A326T141-A326 HydrophobicContact CG2-CB 4.2Å
142D94.6Very high93.6Very high18 Ų1816.1 Ų16.110%0.0969%0.09CC..THydrogen-bonded Turntrans-126.18.6-174.961.6-25000113.6D140 R335 R782 L793 I794D140-D142 PolarHBondContact O-N 2.81Å; D140-D142 VanDerWaalsContact O-N 3.13Å; D142-R335 IonicContact OD1-NH1 3.34Å; D142-R782 IonicContact OD1-CZ 3.67Å; D142-R782 IonicContact OD1-NE 2.7Å; D142-R782 PolarHBondContact OD1-NE 2.91Å; D142-R782 IonicContact OD1-NH2 3.19Å; D142-R782 PolarHBondContact OD1-NH2 3.45Å; D142-R782 VanDerWaalsContact OD2-CG 3.27Å; D142-R782 WeakPolarHBondContact OD2-CG 3.39Å; D142-R782 IonicContact OD2-CZ 3.38Å; D142-R782 IonicContact OD2-NE 3.7Å; D142-R782 PolarHBondContact OD2-NE 3.45Å; D142-R782 IonicContact OD2-NH2 3.71Å; D142-L793 CarbonylContact O-C 3.59Å; D142-I794 PolarHBondContact O-N 3.05Å
143L96.8Very high93.5Very high1 Ų116.6 Ų16.61%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-132.1123.4-173.9-179.662.1000112L139 D140 Y775 V778 I794 M799L139-L143 HydrophobicContact CB-CB 4.45Å; L139-L143 HydrophobicContact CB-CD2 4.1Å; L139-L143 HydrophobicContact CB-CG 4.08Å; L139-L143 HydrophobicContact CD1-CD2 4.11Å; L139-L143 HydrophobicContact CD1-CG 4.23Å; L139-L143 PolarHBondContact N-O 3.45Å; D140-L143 HydrophobicContact CB-CB 4.15Å; D140-L143 PolarHBondContact N-O 3.42Å; D140-L143 PolarHBondContact O-N 2.89Å; L143-Y775 HydrophobicContact CD2-CD1 4.5Å; L143-Y775 HydrophobicContact CD2-CE1 3.77Å; L143-V778 HydrophobicContact CD1-CG2 4.04Å; L143-V778 HydrophobicContact CD2-CG2 4.2Å; L143-I794 HydrophobicContact CD1-CB 3.77Å; L143-I794 HydrophobicContact CD1-CG2 3.65Å; L143-M799 HydrophobicContact CD1-SD 4.2Å; L143-M799 HydrophobicContact CD2-CE 4.33Å; L143-M799 HydrophobicContact CD2-SD 3.99Å
144L96.1Very high93.4Very high1 Ų117.8 Ų17.81%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-122.8147.5178.3-52.9-178.5000111.2T5 W136 I137 Q138 L174 L793 I794 T796T5-L144 HydrophobicContact CG2-CD2 3.93Å; W136-L144 HydrophobicContact CB-CB 4.27Å; W136-L144 HydrophobicContact CB-CD1 4.09Å; W136-L144 HydrophobicContact CD2-CB 4.4Å; W136-L144 HydrophobicContact CE3-CB 3.81Å; W136-L144 HydrophobicContact CG-CD1 4.32Å; I137-L144 CarbonylContact O-C 3.49Å; I137-L144 WeakPolarHBondContact O-CA 3.48Å; Q138-L144 HydrophobicContact CB-CD2 3.77Å; Q138-L144 HydrophobicContact CG-CD2 3.85Å; L144-L174 HydrophobicContact CD1-CD1 3.76Å; L144-L174 HydrophobicContact CD1-CD2 3.85Å; L144-L174 HydrophobicContact CD1-CG 4.49Å; L144-L793 HydrophobicContact CD1-CD1 3.95Å; L144-L793 HydrophobicContact CD1-CD2 4Å; L144-L793 HydrophobicContact CD1-CG 4.29Å; L144-L793 HydrophobicContact CG-CD1 3.9Å; L144-I794 PolarHBondContact N-O 2.86Å; L144-T796 PolarHBondContact O-N 3.45Å
145T96.9Very high93.6Very high3 Ų317.4 Ų17.42%0.01810%0.097CC..EExtended strand (participates in β ladder)trans-130.4146.5174.6-174.70000111.9I137 L139 N147 L303 T796 S797I137-T145 HydrophobicContact CB-CG2 3.97Å; I137-T145 PolarHBondContact N-O 3.2Å; I137-T145 PolarHBondContact O-N 3.34Å; L139-T145 HydrophobicContact CD1-CG2 3.82Å; L139-T145 HydrophobicContact CD2-CG2 3.64Å; L139-T145 HydrophobicContact CG-CG2 3.72Å; T145-N147 PolarHBondContact OG1-N 3.25Å; T145-N147 VanDerWaalsContact OG1-N 3.09Å; T145-L303 HydrophobicContact CG2-CD2 3.86Å; T145-T796 CarbonylContact C-O 3.47Å; T145-T796 VanDerWaalsContact CA-O 3.28Å; T145-T796 WeakPolarHBondContact CA-O 3.5Å; T145-S797 PolarHBondContact OG1-O 2.73Å
146L96Very high93.7Very high10 Ų1018 Ų185%0.05210%0.099CC..  trans-86.1-7.9166.5-74.2174.2000113.2W136 L148 Y166 M167 E170 T796W136-L146 HydrophobicContact CD2-CD2 3.78Å; W136-L146 HydrophobicContact CD2-CG 4.02Å; W136-L146 HydrophobicContact CE3-CD2 3.98Å; W136-L146 HydrophobicContact CE3-CG 3.75Å; W136-L146 HydrophobicContact CG-CD2 4.2Å; W136-L146 HydrophobicContact CH2-CD1 3.73Å; W136-L146 HydrophobicContact CH2-CD2 4.35Å; W136-L146 HydrophobicContact CH2-CG 3.66Å; W136-L146 HydrophobicContact CZ2-CD1 3.91Å; W136-L146 HydrophobicContact CZ2-CD2 4.16Å; W136-L146 HydrophobicContact CZ2-CG 3.94Å; W136-L146 HydrophobicContact CZ3-CB 4.48Å; W136-L146 HydrophobicContact CZ3-CD1 4.16Å; W136-L146 HydrophobicContact CZ3-CD2 4.27Å; W136-L146 HydrophobicContact CZ3-CG 3.57Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 HydrophobicContact CB-CD1 4.05Å; L146-L148 HydrophobicContact CB-CG 4.01Å; L146-L148 HydrophobicContact CD1-CD1 4.27Å; L146-L148 PolarHBondContact O-N 3.42Å; L146-Y166 HydrophobicContact CD1-CE1 4.37Å; L146-Y166 HydrophobicContact CD2-CE1 4.44Å; L146-M167 HydrophobicContact CD1-CB 3.62Å; L146-M167 HydrophobicContact CD1-CG 3.58Å; L146-E170 HydrophobicContact CD1-CB 4.48Å; L146-E170 HydrophobicContact CD2-CB 3.95Å; L146-E170 HydrophobicContact CD2-CG 4.09Å; L146-T796 PolarHBondContact N-O 2.87Å
147N94.9Very high93.5Very high40 Ų4018.7 Ų18.721%0.21410%0.103CC..  trans53.547-174.2-166.351.3000113.1I137 T145 P149 L303 S797I137-N147 HydrophobicContact CD1-CB 4.18Å; T145-N147 PolarHBondContact OG1-N 3.25Å; T145-N147 VanDerWaalsContact OG1-N 3.09Å; N147-P149 WeakPolarHBondContact O-CD 3.45Å; N147-L303 HydrophobicContact CB-CD2 4.04Å; N147-S797 PolarHBondContact N-O 3.38Å; N147-S797 VanDerWaalsContact N-O 3.1Å
148L94.3Very high93.4Very high13 Ų1323.4 Ų23.47%0.06812%0.121CC..  trans-11375.5176-64.2178.4000110.2P107 L146 T150 L151 W163 Y166 S797P107-L148 HydrophobicContact CG-CD2 4.15Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 HydrophobicContact CB-CD1 4.05Å; L146-L148 HydrophobicContact CB-CG 4.01Å; L146-L148 HydrophobicContact CD1-CD1 4.27Å; L146-L148 PolarHBondContact O-N 3.42Å; L148-T150 VanDerWaalsContact C-N 3.28Å; L148-T150 PolarHBondContact O-N 3.28Å; L148-L151 HydrophobicContact CB-CB 4.21Å; L148-L151 WeakPolarHBondContact O-CB 3.41Å; L148-L151 PolarHBondContact O-N 2.73Å; L148-W163 HydrophobicContact CD1-CE3 4.42Å; L148-Y166 HydrophobicContact CD1-CD1 3.71Å; L148-Y166 HydrophobicContact CD1-CE1 3.83Å; L148-S797 PolarHBondContact N-O 2.66Å
149P89.5Confident93.4Very high46 Ų4624.8 Ų24.830%0.29913%0.127SC..THydrogen-bonded Turntrans-65.5-31.2178.527.3-34.2000112.5N147 L151 C798 Q808N147-P149 WeakPolarHBondContact O-CD 3.45Å; P149-L151 PolarHBondContact O-N 2.89Å; P149-C798 HydrophobicContact CB-CB 4.46Å; P149-Q808 PolarHBondContact O-OE1 3.23Å
150T89.6Confident93.3Very high35 Ų3527.8 Ų27.822%0.21514%0.143CC..Hα-helixtrans-70.7-17.5-179.664.80000113.4L148 F152 S153 D154L148-T150 VanDerWaalsContact C-N 3.28Å; L148-T150 PolarHBondContact O-N 3.28Å; T150-F152 PolarHBondContact O-N 3.04Å; T150-F152 VanDerWaalsContact O-N 3.11Å; T150-S153 PolarHBondContact O-N 2.82Å; T150-S153 VanDerWaalsContact O-N 3.13Å; T150-S153 PolarHBondContact O-OG 2.97Å; T150-D154 WeakPolarHBondContact CB-OD2 3.12Å; T150-D154 WeakPolarHBondContact O-CB 3.4Å; T150-D154 PolarHBondContact O-N 2.89Å; T150-D154 PolarHBondContact OG1-OD2 3.31Å
151L94Very high93.3Very high0 Ų032.6 Ų32.60%016%0.161CC..Hα-helixtrans-54.3-37.6180-176.9159.3000111.3L148 P149 Y155 Y156 W163 P164 M167 P770 G771L148-L151 HydrophobicContact CB-CB 4.21Å; L148-L151 WeakPolarHBondContact O-CB 3.41Å; L148-L151 PolarHBondContact O-N 2.73Å; P149-L151 PolarHBondContact O-N 2.89Å; L151-Y155 VanDerWaalsContact O-CB 3.25Å; L151-Y155 WeakPolarHBondContact O-CB 3.47Å; L151-Y155 PolarHBondContact O-N 3.08Å; L151-Y156 HydrophobicContact CD2-CE2 4.42Å; L151-W163 HydrophobicContact CB-CB 3.95Å; L151-W163 HydrophobicContact CD1-CB 3.75Å; L151-W163 HydrophobicContact CG-CB 3.72Å; L151-P164 HydrophobicContact CD1-CG 4.38Å; L151-P164 HydrophobicContact CD2-CG 4.28Å; L151-P164 HydrophobicContact CG-CG 4.23Å; L151-M167 HydrophobicContact CD1-SD 4.35Å; L151-P770 HydrophobicContact CD2-CB 4.4Å; L151-G771 VanDerWaalsContact CD2-N 3.31Å
152F93.5Very high93.3Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-62.5-54.1178.4-179.9-102000111.7T150 Y156 R277 Y281 L561 L805 Q808T150-F152 PolarHBondContact O-N 3.04Å; T150-F152 VanDerWaalsContact O-N 3.11Å; F152-Y156 AromaticContact CD2-CD2 3.5Å; F152-Y156 HydrophobicContact CD2-CD2 3.5Å; F152-Y156 AromaticContact CD2-CE2 3.91Å; F152-Y156 HydrophobicContact CD2-CE2 3.91Å; F152-Y156 HydrophobicContact CD2-CG 4.14Å; F152-Y156 AromaticContact CE2-CD2 3.88Å; F152-Y156 HydrophobicContact CE2-CD2 3.88Å; F152-Y156 HydrophobicContact CE2-CE2 4.41Å; F152-Y156 HydrophobicContact CE2-CG 4.05Å; F152-Y156 HydrophobicContact CG-CD2 4.25Å; F152-Y156 VanDerWaalsContact O-CB 3.28Å; F152-Y156 WeakPolarHBondContact O-CB 3.48Å; F152-Y156 VanDerWaalsContact O-CD2 3.25Å; F152-Y156 WeakPolarHBondContact O-CD2 3.4Å; F152-Y156 PolarHBondContact O-N 3.42Å; F152-R277 HydrophobicContact CD2-CB 4.43Å; F152-R277 HydrophobicContact CD2-CG 4.11Å; F152-R277 HydrophobicContact CE2-CB 4.37Å; F152-R277 HydrophobicContact CE2-CG 3.86Å; F152-Y281 AromaticContact CE2-CE1 3.89Å; F152-Y281 HydrophobicContact CE2-CE1 3.89Å; F152-Y281 AromaticContact CZ-CE1 3.95Å; F152-Y281 HydrophobicContact CZ-CE1 3.95Å; F152-L561 HydrophobicContact CE1-CD1 3.92Å; F152-L561 HydrophobicContact CZ-CD1 4.03Å; F152-L561 HydrophobicContact CZ-CD2 4.12Å; F152-L805 HydrophobicContact CD1-CD1 4.19Å; F152-L805 HydrophobicContact CD2-CD1 4.16Å; F152-L805 HydrophobicContact CE1-CD1 3.65Å; F152-L805 HydrophobicContact CE1-CG 4.4Å; F152-L805 HydrophobicContact CE2-CD1 3.63Å; F152-L805 HydrophobicContact CG-CD1 4.43Å; F152-L805 HydrophobicContact CZ-CD1 3.35Å; F152-L805 HydrophobicContact CZ-CG 4.29Å; F152-Q808 HydrophobicContact CD1-CB 4.35Å
153S90.8Very high93.3Very high9 Ų930.9 Ų30.96%0.06315%0.151CC..Hα-helixtrans-63.8-48.8178.548.10000112.2T150 Y155 L157 A812T150-S153 PolarHBondContact O-N 2.82Å; T150-S153 VanDerWaalsContact O-N 3.13Å; T150-S153 PolarHBondContact O-OG 2.97Å; S153-Y155 VanDerWaalsContact C-N 3.35Å; S153-Y155 PolarHBondContact O-N 2.96Å; S153-L157 WeakPolarHBondContact O-CB 3.33Å; S153-L157 PolarHBondContact O-N 3.4Å; S153-A812 VanDerWaalsContact CB-CB 3.43Å
154D91.4Very high93.3Very high35 Ų3530.8 Ų30.819%0.18715%0.15CC..Hα-helixtrans-63.5-43.4-170.8-62.8-4.4000110.9T150 Y158 K159 D160 W163T150-D154 WeakPolarHBondContact CB-OD2 3.12Å; T150-D154 WeakPolarHBondContact O-CB 3.4Å; T150-D154 PolarHBondContact O-N 2.89Å; T150-D154 PolarHBondContact OG1-OD2 3.31Å; D154-Y158 CarbonylContact O-C 3.59Å; D154-Y158 WeakPolarHBondContact O-CA 3.31Å; D154-Y158 WeakPolarHBondContact O-CB 3.45Å; D154-Y158 PolarHBondContact O-N 2.84Å; D154-K159 PolarHBondContact O-N 3.34Å; D154-D160 HydrophobicContact CB-CB 4.13Å; D154-D160 WeakPolarHBondContact O-CB 3.46Å; D154-D160 PolarHBondContact O-N 3.37Å; D154-W163 PolarHBondContact OD2-NE1 2.77Å
155Y94.6Very high93.2Very high0 Ų033.2 Ų33.20%016%0.161CC..Hα-helixtrans-80.9-52.3179-179.5-97.5000112.8L151 S153 K159 D160 Y161 P164 E195 A196 V199L151-Y155 VanDerWaalsContact O-CB 3.25Å; L151-Y155 WeakPolarHBondContact O-CB 3.47Å; L151-Y155 PolarHBondContact O-N 3.08Å; S153-Y155 VanDerWaalsContact C-N 3.35Å; S153-Y155 PolarHBondContact O-N 2.96Å; Y155-K159 WeakPolarHBondContact O-CA 3.42Å; Y155-K159 PolarHBondContact O-N 2.64Å; Y155-D160 WeakPolarHBondContact CD2-O 3.42Å; Y155-Y161 HydrophobicContact CD2-CD1 4.43Å; Y155-Y161 AromaticContact CE2-CD1 3.75Å; Y155-Y161 HydrophobicContact CE2-CD1 3.75Å; Y155-Y161 AromaticContact CE2-CE1 3.74Å; Y155-Y161 HydrophobicContact CE2-CE1 3.74Å; Y155-P164 HydrophobicContact CD2-CG 3.57Å; Y155-P164 HydrophobicContact CE2-CG 4.23Å; Y155-P164 HydrophobicContact CG-CG 3.71Å; Y155-E195 WeakPolarHBondContact OH-CB 3.49Å; Y155-E195 WeakPolarHBondContact OH-CG 3.28Å; Y155-E195 PolarHBondContact OH-OE2 2.77Å; Y155-A196 HydrophobicContact CD1-CB 3.73Å; Y155-A196 HydrophobicContact CE1-CB 3.28Å; Y155-A196 HydrophobicContact CE2-CB 4.5Å; Y155-A196 WeakPolarHBondContact OH-CA 3.37Å; Y155-A196 PolarHBondContact OH-N 3.33Å; Y155-V199 HydrophobicContact CE2-CG2 4.34Å
156Y93.9Very high93.1Very high16 Ų1633.9 Ų33.96%0.06316%0.164CC..Hα-helixtrans-78.8-24.9-168.2-65.3-87.8000112.9L151 F152 A196 S276 R277 D278 P770L151-Y156 HydrophobicContact CD2-CE2 4.42Å; F152-Y156 AromaticContact CD2-CD2 3.5Å; F152-Y156 HydrophobicContact CD2-CD2 3.5Å; F152-Y156 AromaticContact CD2-CE2 3.91Å; F152-Y156 HydrophobicContact CD2-CE2 3.91Å; F152-Y156 HydrophobicContact CD2-CG 4.14Å; F152-Y156 AromaticContact CE2-CD2 3.88Å; F152-Y156 HydrophobicContact CE2-CD2 3.88Å; F152-Y156 HydrophobicContact CE2-CE2 4.41Å; F152-Y156 HydrophobicContact CE2-CG 4.05Å; F152-Y156 HydrophobicContact CG-CD2 4.25Å; F152-Y156 VanDerWaalsContact O-CB 3.28Å; F152-Y156 WeakPolarHBondContact O-CB 3.48Å; F152-Y156 VanDerWaalsContact O-CD2 3.25Å; F152-Y156 WeakPolarHBondContact O-CD2 3.4Å; F152-Y156 PolarHBondContact O-N 3.42Å; Y156-A196 HydrophobicContact CE1-CB 4.31Å; Y156-A196 WeakPolarHBondContact OH-CB 3.43Å; Y156-S276 WeakPolarHBondContact OH-CA 3.49Å; Y156-R277 HydrophobicContact CE2-CB 4.31Å; Y156-R277 PolarHBondContact OH-N 2.95Å; Y156-D278 HydrophobicContact CD1-CB 3.83Å; Y156-D278 HydrophobicContact CE1-CB 3.73Å; Y156-D278 WeakPolarHBondContact CE1-OD1 3.4Å; Y156-P770 PolarHBondContact OH-O 3.17Å
157L91.2Very high93.2Very high28 Ų2833.4 Ų33.415%0.14716%0.161CC..THydrogen-bonded Turntrans-91.7-48.5171.4-63169.1000112.3S153 A557 S560 L561 A812S153-L157 WeakPolarHBondContact O-CB 3.33Å; S153-L157 PolarHBondContact O-N 3.4Å; L157-A557 HydrophobicContact CD1-CB 4.24Å; L157-A557 HydrophobicContact CD2-CB 3.83Å; L157-S560 WeakPolarHBondContact CD2-OG 3.31Å; L157-L561 HydrophobicContact CD2-CD1 3.77Å; L157-L561 HydrophobicContact CD2-CD2 3.71Å; L157-L561 HydrophobicContact CD2-CG 3.46Å; L157-L561 VanDerWaalsContact CD2-CG 3.46Å; L157-L561 HydrophobicContact CG-CD1 4.3Å; L157-L561 HydrophobicContact CG-CD2 4.06Å; L157-L561 HydrophobicContact CG-CG 4.24Å; L157-A812 HydrophobicContact CD1-CB 3.83Å
158Y91Very high93.3Very high106 Ų10631.5 Ų31.542%0.41615%0.151SC..THydrogen-bonded Turntrans-106.2-0.4-167.5-52.1-59.2000114.6D154 D160 A812 V816D154-Y158 CarbonylContact O-C 3.59Å; D154-Y158 WeakPolarHBondContact O-CA 3.31Å; D154-Y158 WeakPolarHBondContact O-CB 3.45Å; D154-Y158 PolarHBondContact O-N 2.84Å; Y158-D160 PolarHBondContact O-N 3.16Å; Y158-A812 HydrophobicContact CE2-CB 4.09Å; Y158-A812 VanDerWaalsContact OH-C 3.24Å; Y158-A812 PolarHBondContact OH-O 3.12Å; Y158-A812 VanDerWaalsContact OH-O 3.11Å; Y158-V816 HydrophobicContact CE1-CG2 4.07Å; Y158-V816 HydrophobicContact CE2-CG2 4.41Å; Y158-V816 VanDerWaalsContact OH-CG2 3.28Å; Y158-V816 WeakPolarHBondContact OH-CG2 3.18Å
159K93.1Very high93.3Very high89 Ų8933 Ų3339%0.38716%0.158SC..  trans54.637-177.5-59.4-66.1-176.9176.70112.4D154 Y155 Y161 E195D154-K159 PolarHBondContact O-N 3.34Å; Y155-K159 WeakPolarHBondContact O-CA 3.42Å; Y155-K159 PolarHBondContact O-N 2.64Å; K159-Y161 HydrophobicContact CB-CE2 4.22Å; K159-Y161 WeakPolarHBondContact O-CD2 3.43Å; K159-Y161 WeakPolarHBondContact O-CE2 3.36Å; K159-Y161 PolarHBondContact O-N 3.04Å; K159-E195 IonicContact NZ-OE2 2.66Å; K159-E195 PolarHBondContact NZ-OE2 2.81Å
160D92Very high93.5Very high70 Ų7031.5 Ų31.537%0.37415%0.147SC..  trans-78.1106.2169-171.2-8.8000110.4D154 Y155 Y158 C162D154-D160 HydrophobicContact CB-CB 4.13Å; D154-D160 WeakPolarHBondContact O-CB 3.46Å; D154-D160 PolarHBondContact O-N 3.37Å; Y155-D160 WeakPolarHBondContact CD2-O 3.42Å; Y158-D160 PolarHBondContact O-N 3.16Å; D160-C162 PolarHBondContact O-N 3.31Å; D160-C162 WeakPolarHBondContact OD1-CB 3.49Å; D160-C162 PolarHBondContact OD1-N 3.02Å
161Y93.2Very high93.8Very high104 Ų10429.8 Ų29.841%0.40814%0.137SC..THydrogen-bonded Turntrans-73.5-9.4179.9-63-84000113.9Y155 K159 W163 H165 E195 V199Y155-Y161 HydrophobicContact CD2-CD1 4.43Å; Y155-Y161 AromaticContact CE2-CD1 3.75Å; Y155-Y161 HydrophobicContact CE2-CD1 3.75Å; Y155-Y161 AromaticContact CE2-CE1 3.74Å; Y155-Y161 HydrophobicContact CE2-CE1 3.74Å; K159-Y161 HydrophobicContact CB-CE2 4.22Å; K159-Y161 WeakPolarHBondContact O-CD2 3.43Å; K159-Y161 WeakPolarHBondContact O-CE2 3.36Å; K159-Y161 PolarHBondContact O-N 3.04Å; Y161-W163 PolarHBondContact O-N 2.94Å; Y161-H165 WeakPolarHBondContact O-CB 3.49Å; Y161-H165 PolarHBondContact O-N 3.43Å; Y161-H165 VanDerWaalsContact O-N 3.1Å; Y161-E195 PolarHBondContact OH-OE1 2.91Å; Y161-V199 HydrophobicContact CD1-CB 4.33Å; Y161-V199 HydrophobicContact CD1-CG1 3.98Å; Y161-V199 HydrophobicContact CD1-CG2 3.41Å; Y161-V199 VanDerWaalsContact CD1-CG2 3.41Å; Y161-V199 HydrophobicContact CE1-CG2 3.73Å
162C92.1Very high93.7Very high28 Ų2829.8 Ų29.819%0.18914%0.137CC..Hα-helixtrans-56.1-48.8-173.3-178.50000112.7K108 D160 Y166K108-C162 WeakPolarHBondContact CE-SG 3.22Å; K108-C162 PolarHBondContact NZ-SG 3.05Å; D160-C162 PolarHBondContact O-N 3.31Å; D160-C162 WeakPolarHBondContact OD1-CB 3.49Å; D160-C162 PolarHBondContact OD1-N 3.02Å; C162-Y166 WeakPolarHBondContact O-CB 3.34Å; C162-Y166 PolarHBondContact O-N 3.14Å
163W94.5Very high93.6Very high14 Ų1432.7 Ų32.75%0.05315%0.148CC..Hα-helixtrans-79.1-42.7-173-56.2128.5000114.6P77 P107 K108 T110 L148 L151 D154 Y161 H165 Y166 M167P77-W163 HydrophobicContact CG-CH2 3.76Å; P77-W163 HydrophobicContact CG-CZ2 3.89Å; P107-W163 HydrophobicContact CG-CE3 4.17Å; P107-W163 HydrophobicContact CG-CH2 4.09Å; P107-W163 HydrophobicContact CG-CZ3 3.43Å; P107-W163 VanDerWaalsContact CG-CZ3 3.43Å; K108-W163 HydrophobicContact CG-CH2 4.47Å; K108-W163 HydrophobicContact CG-CZ3 4.21Å; T110-W163 HydrophobicContact CG2-CH2 4.45Å; L148-W163 HydrophobicContact CD1-CE3 4.42Å; L151-W163 HydrophobicContact CB-CB 3.95Å; L151-W163 HydrophobicContact CD1-CB 3.75Å; L151-W163 HydrophobicContact CG-CB 3.72Å; D154-W163 PolarHBondContact OD2-NE1 2.77Å; Y161-W163 PolarHBondContact O-N 2.94Å; W163-H165 VanDerWaalsContact C-N 3.28Å; W163-H165 PolarHBondContact O-N 2.8Å; W163-Y166 HydrophobicContact CE3-CD1 4.5Å; W163-Y166 PolarHBondContact O-N 2.89Å; W163-M167 WeakPolarHBondContact O-CB 3.43Å; W163-M167 PolarHBondContact O-N 3.22Å
164P96.6Very high93.6Very high0 Ų032.2 Ų32.20%015%0.145CC..Hα-helixtrans-61.2-38.4170.9-23.534.5000112L151 Y155 M167 G168 V199 V200L151-P164 HydrophobicContact CD1-CG 4.38Å; L151-P164 HydrophobicContact CD2-CG 4.28Å; L151-P164 HydrophobicContact CG-CG 4.23Å; Y155-P164 HydrophobicContact CD2-CG 3.57Å; Y155-P164 HydrophobicContact CE2-CG 4.23Å; Y155-P164 HydrophobicContact CG-CG 3.71Å; P164-M167 WeakPolarHBondContact O-CB 3.27Å; P164-M167 PolarHBondContact O-N 2.89Å; P164-G168 PolarHBondContact O-N 3.11Å; P164-V199 HydrophobicContact CB-CB 4.07Å; P164-V199 HydrophobicContact CB-CG1 3.85Å; P164-V200 HydrophobicContact CB-CG2 4.08Å; P164-V200 WeakPolarHBondContact O-CA 3.35Å; P164-V200 VanDerWaalsContact O-CG2 3.3Å; P164-V200 WeakPolarHBondContact O-CG2 3.44Å
165H95.1Very high93.5Very high51 Ų5130.6 Ų30.624%0.23614%0.136CC..Hα-helixtrans-64.9-45176.6-171.890.6000111.9Y161 W163 M167 G168 M169 V199 L206Y161-H165 WeakPolarHBondContact O-CB 3.49Å; Y161-H165 PolarHBondContact O-N 3.43Å; Y161-H165 VanDerWaalsContact O-N 3.1Å; W163-H165 VanDerWaalsContact C-N 3.28Å; W163-H165 PolarHBondContact O-N 2.8Å; H165-M167 VanDerWaalsContact C-N 3.34Å; H165-M167 PolarHBondContact O-N 3.04Å; H165-G168 WeakPolarHBondContact O-CA 3.38Å; H165-G168 PolarHBondContact O-N 2.59Å; H165-G168 VanDerWaalsContact O-N 3.12Å; H165-M169 PolarHBondContact O-N 2.88Å; H165-V199 HydrophobicContact CB-CG1 3.98Å; H165-L206 WeakPolarHBondContact NE2-CD2 3.28Å
166Y94.9Very high93Very high18 Ų1833.3 Ų33.37%0.07115%0.148CC..Hα-helixtrans-59.8-43.4173.7168-97.2000111.9P107 S133 L146 L148 C162 W163 G168 M169 E170P107-Y166 HydrophobicContact CB-CE1 3.94Å; P107-Y166 HydrophobicContact CB-CE2 3.98Å; P107-Y166 VanDerWaalsContact CB-CZ 3.49Å; P107-Y166 VanDerWaalsContact CB-OH 3.31Å; P107-Y166 WeakPolarHBondContact CB-OH 3.47Å; P107-Y166 HydrophobicContact CG-CD1 4.3Å; P107-Y166 HydrophobicContact CG-CE1 3.88Å; P107-Y166 HydrophobicContact CG-CE2 4.3Å; S133-Y166 PolarHBondContact OG-OH 3.37Å; L146-Y166 HydrophobicContact CD1-CE1 4.37Å; L146-Y166 HydrophobicContact CD2-CE1 4.44Å; L148-Y166 HydrophobicContact CD1-CD1 3.71Å; L148-Y166 HydrophobicContact CD1-CE1 3.83Å; C162-Y166 WeakPolarHBondContact O-CB 3.34Å; C162-Y166 PolarHBondContact O-N 3.14Å; W163-Y166 HydrophobicContact CE3-CD1 4.5Å; W163-Y166 PolarHBondContact O-N 2.89Å; Y166-G168 PolarHBondContact O-N 3.16Å; Y166-M169 WeakPolarHBondContact O-CB 3.02Å; Y166-M169 PolarHBondContact O-N 3.06Å; Y166-M169 VanDerWaalsContact O-N 3.07Å; Y166-E170 HydrophobicContact CD2-CG 4.41Å; Y166-E170 HydrophobicContact CE1-CG 3.94Å; Y166-E170 HydrophobicContact CE2-CG 3.82Å; Y166-E170 PolarHBondContact O-N 2.94Å
167M97.4Very high92.4Very high0 Ų034.5 Ų34.50%016%0.155CC..Hα-helixtrans-57.5-39.8173.7176.5176.6-174.700111.4W136 L146 L151 W163 P164 H165 E170 L171 V200 A768 P770W136-M167 HydrophobicContact CH2-CE 3.9Å; W136-M167 HydrophobicContact CH2-CG 4.2Å; W136-M167 HydrophobicContact CZ2-CG 4.5Å; L146-M167 HydrophobicContact CD1-CB 3.62Å; L146-M167 HydrophobicContact CD1-CG 3.58Å; L151-M167 HydrophobicContact CD1-SD 4.35Å; W163-M167 WeakPolarHBondContact O-CB 3.43Å; W163-M167 PolarHBondContact O-N 3.22Å; P164-M167 WeakPolarHBondContact O-CB 3.27Å; P164-M167 PolarHBondContact O-N 2.89Å; H165-M167 VanDerWaalsContact C-N 3.34Å; H165-M167 PolarHBondContact O-N 3.04Å; M167-E170 PolarHBondContact O-N 2.8Å; M167-L171 WeakPolarHBondContact O-CB 3.4Å; M167-L171 PolarHBondContact O-N 3.42Å; M167-V200 HydrophobicContact CB-CG2 4.41Å; M167-V200 HydrophobicContact CG-CG2 4.32Å; M167-V200 HydrophobicContact SD-CG2 4.26Å; M167-A768 HydrophobicContact CE-CB 4.16Å; M167-P770 HydrophobicContact SD-CB 4Å
168G96.8Very high91.7Very high0 Ų033.9 Ų33.90%015%0.152CC..Hα-helixtrans-58.8-45.2172.100000113.9P164 H165 Y166 L171 G172 V200 G203 I204P164-G168 PolarHBondContact O-N 3.11Å; H165-G168 WeakPolarHBondContact O-CA 3.38Å; H165-G168 PolarHBondContact O-N 2.59Å; H165-G168 VanDerWaalsContact O-N 3.12Å; Y166-G168 PolarHBondContact O-N 3.16Å; G168-L171 PolarHBondContact O-N 3.13Å; G168-G172 PolarHBondContact O-N 3.28Å; G168-V200 WeakPolarHBondContact CA-O 2.89Å; G168-G203 VanDerWaalsContact C-C 3.43Å; G168-I204 WeakPolarHBondContact O-CA 3.24Å; G168-I204 WeakPolarHBondContact O-CG1 3.46Å; G168-I204 PolarHBondContact O-N 3.31Å
169M94Very high90.8Very high45 Ų4529.5 Ų29.522%0.22214%0.137CC..Hα-helixtrans-62.5-46.4176.8-67.5-172.670.300112H165 Y166 L171 G172 R173 L206H165-M169 PolarHBondContact O-N 2.88Å; Y166-M169 WeakPolarHBondContact O-CB 3.02Å; Y166-M169 PolarHBondContact O-N 3.06Å; Y166-M169 VanDerWaalsContact O-N 3.07Å; M169-L171 VanDerWaalsContact C-N 3.33Å; M169-L171 PolarHBondContact O-N 2.81Å; M169-G172 PolarHBondContact O-N 2.67Å; M169-R173 PolarHBondContact O-N 2.99Å; M169-L206 HydrophobicContact CE-CD2 4.36Å; M169-L206 HydrophobicContact SD-CD2 3.99Å
170E94.9Very high89.6Confident13 Ų1330.3 Ų30.36%0.06114%0.142CC..Hα-helixtrans-67.2-34.1177.9-69.6-63.5153.400111.8S133 S135 W136 L146 Y166 M167 R173 L174S133-E170 PolarHBondContact OG-OE1 2.91Å; S135-E170 WeakPolarHBondContact CB-OE2 3.37Å; S135-E170 PolarHBondContact OG-OE2 2.91Å; W136-E170 HydrophobicContact CZ2-CB 4.43Å; W136-E170 VanDerWaalsContact NE1-C 3.27Å; W136-E170 PolarHBondContact NE1-O 3.25Å; L146-E170 HydrophobicContact CD1-CB 4.48Å; L146-E170 HydrophobicContact CD2-CB 3.95Å; L146-E170 HydrophobicContact CD2-CG 4.09Å; Y166-E170 HydrophobicContact CD2-CG 4.41Å; Y166-E170 HydrophobicContact CE1-CG 3.94Å; Y166-E170 HydrophobicContact CE2-CG 3.82Å; Y166-E170 PolarHBondContact O-N 2.94Å; M167-E170 PolarHBondContact O-N 2.8Å; E170-R173 WeakPolarHBondContact O-CB 3.37Å; E170-R173 PolarHBondContact O-N 3.23Å; E170-L174 WeakPolarHBondContact O-CB 3.19Å; E170-L174 PolarHBondContact O-N 3.03Å
171L95Very high88.4Confident0 Ų028.8 Ų28.80%014%0.137CC..Hα-helixtrans-67-40.8173.4-176.254000111.3W136 M167 G168 M169 R173 L174 L175 V200 I204 V272 V274 V766 A768W136-L171 HydrophobicContact CZ2-CB 4.15Å; W136-L171 HydrophobicContact CZ2-CD1 4.46Å; M167-L171 WeakPolarHBondContact O-CB 3.4Å; M167-L171 PolarHBondContact O-N 3.42Å; G168-L171 PolarHBondContact O-N 3.13Å; M169-L171 VanDerWaalsContact C-N 3.33Å; M169-L171 PolarHBondContact O-N 2.81Å; L171-R173 VanDerWaalsContact C-N 3.31Å; L171-R173 PolarHBondContact O-N 3.11Å; L171-L174 HydrophobicContact CD1-CD2 3.97Å; L171-L174 WeakPolarHBondContact O-CB 3.4Å; L171-L174 PolarHBondContact O-N 3.36Å; L171-L175 HydrophobicContact CD1-CG 4.28Å; L171-L175 HydrophobicContact CG-CD1 4.29Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 3.34Å; L171-V200 HydrophobicContact CD2-CG1 3.99Å; L171-I204 HydrophobicContact CB-CD1 4.49Å; L171-I204 HydrophobicContact CB-CG1 4.33Å; L171-I204 HydrophobicContact CD2-CD1 3.86Å; L171-I204 HydrophobicContact CG-CD1 4.07Å; L171-I204 HydrophobicContact CG-CG1 4.42Å; L171-V272 HydrophobicContact CD2-CG1 4.49Å; L171-V274 HydrophobicContact CD2-CG2 4.31Å; L171-V766 HydrophobicContact CD1-CG1 4.24Å; L171-A768 HydrophobicContact CD2-CB 3.8Å
172G92.5Very high87Confident0 Ų030.3 Ų30.30%015%0.152CC..Hα-helixtrans-57.2-45.3172.100000111.9G168 M169 L175 K176 P185 Y207G168-G172 PolarHBondContact O-N 3.28Å; M169-G172 PolarHBondContact O-N 2.67Å; G172-L175 PolarHBondContact O-N 3.11Å; G172-K176 PolarHBondContact O-N 3.27Å; G172-P185 WeakPolarHBondContact O-CG 3.43Å; G172-Y207 VanDerWaalsContact C-CD1 3.46Å; G172-Y207 VanDerWaalsContact C-CE1 3.49Å; G172-Y207 WeakPolarHBondContact O-CE1 3.38Å
173R90.2Very high85.8Confident60 Ų6034 Ų3423%0.22617%0.17CC..Hα-helixtrans-61.2-44.7174.8-167.3-176.5-166.7156.65.9112.7S11 M169 E170 L171 K176 L177 Y207S11-R173 PolarHBondContact OG-NH2 3.08Å; M169-R173 PolarHBondContact O-N 2.99Å; E170-R173 WeakPolarHBondContact O-CB 3.37Å; E170-R173 PolarHBondContact O-N 3.23Å; L171-R173 VanDerWaalsContact C-N 3.31Å; L171-R173 PolarHBondContact O-N 3.11Å; R173-K176 PolarHBondContact O-N 3.33Å; R173-L177 HydrophobicContact CG-CD1 4.12Å; R173-L177 WeakPolarHBondContact O-CG 3.32Å; R173-L177 PolarHBondContact O-N 3.05Å; R173-L177 VanDerWaalsContact O-N 3.07Å; R173-Y207 VanDerWaalsContact CA-CZ 3.49Å; R173-Y207 HydrophobicContact CB-CD2 4.22Å; R173-Y207 HydrophobicContact CB-CE2 3.67Å; R173-Y207 HydrophobicContact CG-CE2 4.07Å
174L91.2Very high84.8Confident0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-59.3-48.3176.6174.564.7000111.4L8 W136 L144 E170 L171 K176 L177 T178 L793 A795L8-L174 HydrophobicContact CD1-CD1 3.62Å; W136-L174 HydrophobicContact CD2-CD2 4.23Å; W136-L174 HydrophobicContact CG-CD2 4.32Å; L144-L174 HydrophobicContact CD1-CD1 3.76Å; L144-L174 HydrophobicContact CD1-CD2 3.85Å; L144-L174 HydrophobicContact CD1-CG 4.49Å; E170-L174 WeakPolarHBondContact O-CB 3.19Å; E170-L174 PolarHBondContact O-N 3.03Å; L171-L174 HydrophobicContact CD1-CD2 3.97Å; L171-L174 WeakPolarHBondContact O-CB 3.4Å; L171-L174 PolarHBondContact O-N 3.36Å; L174-K176 VanDerWaalsContact C-N 3.35Å; L174-K176 PolarHBondContact O-N 3.49Å; L174-L177 PolarHBondContact O-N 3.42Å; L174-T178 HydrophobicContact CD1-CG2 3.76Å; L174-T178 WeakPolarHBondContact O-CB 3.4Å; L174-T178 VanDerWaalsContact O-CG2 3.3Å; L174-T178 WeakPolarHBondContact O-CG2 3.32Å; L174-T178 PolarHBondContact O-N 2.8Å; L174-T178 PolarHBondContact O-OG1 2.71Å; L174-L793 HydrophobicContact CD1-CD2 4.33Å; L174-L793 HydrophobicContact CD2-CD2 3.99Å; L174-L793 HydrophobicContact CG-CD2 4.4Å; L174-A795 HydrophobicContact CD2-CB 4.42Å
175L89.3Confident83.9Confident0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-62.4-41.2179.3-68.5172.3000111.6L171 G172 L177 S179 P185 I190 P270 V272 V766L171-L175 HydrophobicContact CD1-CG 4.28Å; L171-L175 HydrophobicContact CG-CD1 4.29Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 3.34Å; G172-L175 PolarHBondContact O-N 3.11Å; L175-L177 PolarHBondContact O-N 3.17Å; L175-S179 WeakPolarHBondContact O-CB 3.47Å; L175-S179 PolarHBondContact O-N 2.81Å; L175-P185 HydrophobicContact CB-CB 4.16Å; L175-P185 HydrophobicContact CB-CG 4.39Å; L175-P185 HydrophobicContact CD1-CB 4.19Å; L175-I190 HydrophobicContact CD1-CD1 4.26Å; L175-P270 HydrophobicContact CD2-CG 4.14Å; L175-V272 HydrophobicContact CD1-CG2 4.03Å; L175-V272 HydrophobicContact CD2-CG2 3.68Å; L175-V766 HydrophobicContact CD2-CG2 4.04Å
176K85.2Confident82.9Confident57 Ų5732.3 Ų32.325%0.24816%0.163CC..Hα-helixtrans-61.2-44.6175.9-179.265.3-174.6170.70112.3G172 R173 L174 S181 D182 A184 Y207 L213G172-K176 PolarHBondContact O-N 3.27Å; R173-K176 PolarHBondContact O-N 3.33Å; L174-K176 VanDerWaalsContact C-N 3.35Å; L174-K176 PolarHBondContact O-N 3.49Å; K176-S181 PolarHBondContact NZ-O 2.96Å; K176-D182 PolarHBondContact NZ-O 3.19Å; K176-A184 WeakPolarHBondContact CD-O 3.49Å; K176-Y207 HydrophobicContact CB-CE1 3.99Å; K176-L213 HydrophobicContact CD-CD1 4.35Å
177L81Confident81.9Confident42 Ų4231.9 Ų31.922%0.2217%0.165CC..Hα-helixtrans-74.1-28.4-175.3-72.8171.5000113.3R7 L8 R173 L174 L175R7-L177 HydrophobicContact CB-CD2 4.41Å; L8-L177 HydrophobicContact CD2-CD1 3.44Å; L8-L177 VanDerWaalsContact CD2-CD1 3.44Å; L8-L177 HydrophobicContact CG-CD1 3.95Å; R173-L177 HydrophobicContact CG-CD1 4.12Å; R173-L177 WeakPolarHBondContact O-CG 3.32Å; R173-L177 PolarHBondContact O-N 3.05Å; R173-L177 VanDerWaalsContact O-N 3.07Å; L174-L177 PolarHBondContact O-N 3.42Å; L175-L177 PolarHBondContact O-N 3.17Å
178T76Confident81.3Confident15 Ų1532.3 Ų32.39%0.09217%0.167CC..Hα-helixtrans-100.6-29.6-172.456.70000114.6F3 L174 E180F3-T178 HydrophobicContact CB-CG2 4.01Å; F3-T178 HydrophobicContact CD1-CG2 3.82Å; F3-T178 HydrophobicContact CG-CG2 4.43Å; L174-T178 HydrophobicContact CD1-CG2 3.76Å; L174-T178 WeakPolarHBondContact O-CB 3.4Å; L174-T178 VanDerWaalsContact O-CG2 3.3Å; L174-T178 WeakPolarHBondContact O-CG2 3.32Å; L174-T178 PolarHBondContact O-N 2.8Å; L174-T178 PolarHBondContact O-OG1 2.71Å; T178-E180 PolarHBondContact O-N 3.09Å
179S72.5Confident80.9Confident14 Ų1433.5 Ų33.510%0.09817%0.172CC..SBendtrans-72.2-13.9-176.2-176.40000113.3L175 S181 A184L175-S179 WeakPolarHBondContact O-CB 3.47Å; L175-S179 PolarHBondContact O-N 2.81Å; S179-S181 PolarHBondContact O-N 3.42Å; S179-A184 VanDerWaalsContact CB-CB 3.43Å
180E66.8Low80.8Confident105 Ų10531.4 Ų31.449%0.49116%0.161SC..  trans51.9-1.8-170.4-70.2179.2-15500115.2T178 R267T178-E180 PolarHBondContact O-N 3.09Å; E180-R267 IonicContact OE1-CZ 3.67Å; E180-R267 IonicContact OE1-NH1 3.46Å; E180-R267 PolarHBondContact OE1-NH1 3.47Å; E180-R267 IonicContact OE1-NH2 3.54Å; E180-R267 PolarHBondContact OE1-NH2 3.42Å; E180-R267 IonicContact OE2-CZ 2.8Å; E180-R267 IonicContact OE2-NE 2.87Å; E180-R267 IonicContact OE2-NH1 3.1Å; E180-R267 PolarHBondContact OE2-NH1 3.06Å; E180-R267 IonicContact OE2-NH2 3.55Å; E180-R267 PolarHBondContact OE2-NH2 2.86Å
181S67.4Low80.8Confident38 Ų3830.8 Ų30.827%0.26616%0.159SC..  trans-83.1132.4179.8176.40000110.2K176 S179 L183 A184K176-S181 PolarHBondContact NZ-O 2.96Å; S179-S181 PolarHBondContact O-N 3.42Å; S181-L183 PolarHBondContact O-N 3.49Å; S181-L183 PolarHBondContact OG-N 3.08Å; S181-A184 PolarHBondContact O-N 3.13Å; S181-A184 VanDerWaalsContact O-N 3.14Å
182D64.7Low80.8Confident136 Ų13630.9 Ų30.973%0.72716%0.159SC*.THydrogen-bonded Turntrans-60.6-27.4172.4-70.3-29.1000111.8K176K176-D182 PolarHBondContact NZ-O 3.19Å
183L66Low81Confident107 Ų10730.9 Ų30.956%0.5616%0.159SC*.THydrogen-bonded Turntrans-83.9-15.4179-63.7174.3000113.7S181 P185 M186 G187S181-L183 PolarHBondContact O-N 3.49Å; S181-L183 PolarHBondContact OG-N 3.08Å; L183-P185 CarbonylContact O-C 3.55Å; L183-M186 CarbonylContact O-C 3.42Å; L183-M186 VanDerWaalsContact O-CA 3.23Å; L183-M186 WeakPolarHBondContact O-CA 3.33Å; L183-M186 WeakPolarHBondContact O-CB 3.24Å; L183-M186 PolarHBondContact O-N 2.78Å; L183-G187 PolarHBondContact O-N 3.07Å
184A73.6Confident81.1Confident1 Ų128.5 Ų28.51%0.00815%0.153CC..THydrogen-bonded Turntrans-65.4141.1178.200000110.8K176 S179 S181 L213K176-A184 WeakPolarHBondContact CD-O 3.49Å; S179-A184 VanDerWaalsContact CB-CB 3.43Å; S181-A184 PolarHBondContact O-N 3.13Å; S181-A184 VanDerWaalsContact O-N 3.14Å; A184-L213 WeakPolarHBondContact O-CD1 3.17Å
185P77.4Confident81.2Confident0 Ų032.2 Ų32.20%017%0.171CC..THydrogen-bonded Turncis-80.3-8.51.6-9.226.3000115.5G172 L175 L183 G187 C188 I204 Y207 C208G172-P185 WeakPolarHBondContact O-CG 3.43Å; L175-P185 HydrophobicContact CB-CB 4.16Å; L175-P185 HydrophobicContact CB-CG 4.39Å; L175-P185 HydrophobicContact CD1-CB 4.19Å; L183-P185 CarbonylContact O-C 3.55Å; P185-G187 PolarHBondContact O-N 3.03Å; P185-C188 VanDerWaalsContact O-CB 3.27Å; P185-C188 WeakPolarHBondContact O-CB 3.35Å; P185-C188 PolarHBondContact O-N 3.34Å; P185-C188 PolarHBondContact O-SG 2.92Å; P185-C188 VanDerWaalsContact O-SG 3.41Å; P185-I204 HydrophobicContact CB-CG2 3.99Å; P185-I204 HydrophobicContact CG-CG2 4.39Å; P185-Y207 HydrophobicContact CG-CD1 3.93Å; P185-Y207 HydrophobicContact CG-CE1 4.1Å; P185-C208 VanDerWaalsContact CG-SG 3.57Å
186M74.3Confident81.5Confident27 Ų2732.2 Ų32.213%0.13317%0.171CC..THydrogen-bonded Turntrans-60.2-30.9-177.7-54.5-77.769.600114L183 C188 C208 L213 V214 L727L183-M186 CarbonylContact O-C 3.42Å; L183-M186 VanDerWaalsContact O-CA 3.23Å; L183-M186 WeakPolarHBondContact O-CA 3.33Å; L183-M186 WeakPolarHBondContact O-CB 3.24Å; L183-M186 PolarHBondContact O-N 2.78Å; M186-C188 VanDerWaalsContact C-N 3.31Å; M186-C208 HydrophobicContact CE-CB 3.64Å; M186-C208 WeakPolarHBondContact CE-SG 3.34Å; M186-C208 HydrophobicContact SD-CB 3.95Å; M186-L213 HydrophobicContact CG-CB 4.22Å; M186-V214 HydrophobicContact SD-CG2 4.06Å; M186-L727 HydrophobicContact CE-CB 3.19Å; M186-L727 HydrophobicContact CE-CD1 3.23Å; M186-L727 HydrophobicContact CE-CG 3.79Å; M186-L727 HydrophobicContact SD-CB 4.35Å
187G74.4Confident82Confident10 Ų1029.5 Ų29.510%0.10316%0.159CC..THydrogen-bonded Turntrans-78.6-10.3176.100000114.6L183 P185 P269L183-G187 PolarHBondContact O-N 3.07Å; P185-G187 PolarHBondContact O-N 3.03Å; G187-P269 WeakPolarHBondContact O-CB 3.35Å
188C85.3Confident82.6Confident9 Ų931.4 Ų31.46%0.06117%0.169CC..SBendtrans-77.4143.6-176.7-54.20000111P185 M186 I190 P270 V272P185-C188 VanDerWaalsContact O-CB 3.27Å; P185-C188 WeakPolarHBondContact O-CB 3.35Å; P185-C188 PolarHBondContact O-N 3.34Å; P185-C188 PolarHBondContact O-SG 2.92Å; P185-C188 VanDerWaalsContact O-SG 3.41Å; M186-C188 VanDerWaalsContact C-N 3.31Å; C188-I190 HydrophobicContact CB-CD1 4.44Å; C188-I190 HydrophobicContact CB-CG1 4.05Å; C188-I190 PolarHBondContact O-N 2.98Å; C188-P270 HydrophobicContact CB-CG 4.02Å; C188-P270 WeakPolarHBondContact SG-CG 3.24Å; C188-V272 HydrophobicContact CB-CG2 4.18Å
189R87.4Confident83.5Confident24 Ų2431.6 Ų31.69%0.09117%0.17CC..EExtended strand (participates in β ladder)trans-89.7101.5173.4-170.6174.2-180148.9-1.5108.6H191 P270 L271 V272 D677 L724 P755R189-H191 WeakPolarHBondContact CG-NE2 3.4Å; R189-H191 PolarHBondContact NE-NE2 3.29Å; R189-H191 VanDerWaalsContact NE-NE2 3.18Å; R189-P270 PolarHBondContact N-O 3.18Å; R189-P270 VanDerWaalsContact N-O 3.08Å; R189-L271 HydrophobicContact CB-CD1 4.24Å; R189-L271 HydrophobicContact CG-CD1 4.16Å; R189-V272 PolarHBondContact O-N 3.43Å; R189-D677 IonicContact NH2-OD2 3.23Å; R189-L724 HydrophobicContact CG-CD1 3.73Å; R189-P755 HydrophobicContact CB-CB 3.97Å; R189-P755 HydrophobicContact CG-CB 3.92Å; R189-P755 HydrophobicContact CG-CG 4.36Å
190I92Very high84.7Confident1 Ų130.9 Ų30.91%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-103.8124.7-173.8-49.3-169.6000110.4L175 C188 I204 V272 V274 V725 L727L175-I190 HydrophobicContact CD1-CD1 4.26Å; C188-I190 HydrophobicContact CB-CD1 4.44Å; C188-I190 HydrophobicContact CB-CG1 4.05Å; C188-I190 PolarHBondContact O-N 2.98Å; I190-I204 HydrophobicContact CD1-CD1 3.8Å; I190-I204 HydrophobicContact CD1-CG2 4.02Å; I190-V272 CarbonylContact C-O 3.09Å; I190-V272 WeakPolarHBondContact CA-O 3.37Å; I190-V272 HydrophobicContact CB-CB 4.38Å; I190-V272 HydrophobicContact CG1-CB 4.06Å; I190-V272 HydrophobicContact CG1-CG2 4.26Å; I190-V272 HydrophobicContact CG2-CB 4.29Å; I190-V272 HydrophobicContact CG2-CG1 4.33Å; I190-V274 HydrophobicContact CG2-CG2 4.32Å; I190-V725 HydrophobicContact CB-CB 4.21Å; I190-V725 HydrophobicContact CB-CG2 4.45Å; I190-V725 HydrophobicContact CG2-CB 4.33Å; I190-V725 HydrophobicContact CG2-CG2 4.08Å; I190-V725 PolarHBondContact O-N 3.31Å; I190-L727 HydrophobicContact CD1-CD1 3.81Å; I190-L727 HydrophobicContact CD1-CD2 4.41Å
191H94.5Very high85.9Confident1 Ų126 Ų261%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-114.7124.2174.2-68.7-99.8000109.2R189 F193 V272 L273 V274 L722 G723R189-H191 WeakPolarHBondContact CG-NE2 3.4Å; R189-H191 PolarHBondContact NE-NE2 3.29Å; R189-H191 VanDerWaalsContact NE-NE2 3.18Å; H191-F193 HydrophobicContact CB-CE2 4.15Å; H191-F193 HydrophobicContact CB-CZ 4.31Å; H191-V272 PolarHBondContact N-O 2.99Å; H191-L273 CarbonylContact O-C 3.56Å; H191-L273 WeakPolarHBondContact O-CA 3.36Å; H191-V274 PolarHBondContact O-N 3.06Å; H191-L722 PolarHBondContact ND1-O 3.35Å; H191-G723 CarbonylContact C-O 3.26Å; H191-G723 VanDerWaalsContact CA-O 3.28Å; H191-G723 WeakPolarHBondContact CA-O 3.46Å
192A95.7Very high87Confident1 Ų126 Ų261%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-114.5131.6179.800000110.3A201 G723 V725A192-A201 HydrophobicContact CB-CB 4.47Å; A192-G723 PolarHBondContact N-O 2.78Å; A192-V725 HydrophobicContact CB-CG2 3.69Å
193F95.8Very high88.4Confident0 Ų019.5 Ų19.50%011%0.111CC..EExtended strand (participates in β ladder)trans-124.7113.5177.2-60-66.6000110.2H191 S197 L273 V274 F275 S276 L279 L666 V670 L709 L714 L722H191-F193 HydrophobicContact CB-CE2 4.15Å; H191-F193 HydrophobicContact CB-CZ 4.31Å; F193-S197 WeakPolarHBondContact O-CB 3.5Å; F193-S197 PolarHBondContact O-OG 2.83Å; F193-L273 HydrophobicContact CD2-CD1 4.23Å; F193-L273 HydrophobicContact CD2-CD2 4.13Å; F193-L273 HydrophobicContact CD2-CG 4.01Å; F193-L273 HydrophobicContact CE2-CD1 3.73Å; F193-L273 HydrophobicContact CE2-CD2 4.43Å; F193-L273 HydrophobicContact CE2-CG 3.86Å; F193-V274 PolarHBondContact N-O 3.45Å; F193-F275 HydrophobicContact CB-CD2 4.25Å; F193-S276 WeakPolarHBondContact O-CB 3.4Å; F193-S276 PolarHBondContact O-N 2.73Å; F193-S276 PolarHBondContact O-OG 2.83Å; F193-S276 VanDerWaalsContact O-OG 3.1Å; F193-L279 HydrophobicContact CB-CD1 3.72Å; F193-L279 WeakPolarHBondContact O-CD1 3.3Å; F193-L666 HydrophobicContact CD2-CD1 4.24Å; F193-L666 HydrophobicContact CG-CD1 4.45Å; F193-V670 HydrophobicContact CE2-CG2 4.4Å; F193-V670 HydrophobicContact CZ-CG2 4.01Å; F193-L709 HydrophobicContact CD1-CD2 3.61Å; F193-L709 HydrophobicContact CE1-CD1 3.83Å; F193-L709 HydrophobicContact CE1-CD2 3.45Å; F193-L709 VanDerWaalsContact CE1-CD2 3.45Å; F193-L709 HydrophobicContact CE1-CG 4.31Å; F193-L709 HydrophobicContact CZ-CD2 4.32Å; F193-L714 HydrophobicContact CD1-CD2 3.75Å; F193-L714 HydrophobicContact CE1-CD2 4.47Å; F193-L722 WeakPolarHBondContact CE1-O 3.43Å; F193-L722 WeakPolarHBondContact CZ-O 3.39Å
194G93.4Very high89.6Confident10 Ų1014.4 Ų14.410%0.1038%0.084CC..SBendtrans97.3158.2178.800000112.9A196 S197 D198 S276G194-A196 VanDerWaalsContact C-N 3.3Å; G194-A196 PolarHBondContact O-N 3.28Å; G194-S197 WeakPolarHBondContact O-CA 3.46Å; G194-S197 VanDerWaalsContact O-CB 3.28Å; G194-S197 WeakPolarHBondContact O-CB 3.45Å; G194-S197 PolarHBondContact O-N 2.87Å; G194-D198 PolarHBondContact O-N 2.56Å; G194-D198 VanDerWaalsContact O-N 3.11Å; G194-S276 WeakPolarHBondContact CA-OG 3.39Å; G194-S276 PolarHBondContact O-OG 2.88Å
195E92.6Very high90.3Very high78 Ų7816.6 Ų16.636%0.3649%0.092SC..Hα-helixtrans-59.3-40.2-171.4-166.5-168.3-169.800111.8Y155 K159 Y161 S197 D198 V199Y155-E195 WeakPolarHBondContact OH-CB 3.49Å; Y155-E195 WeakPolarHBondContact OH-CG 3.28Å; Y155-E195 PolarHBondContact OH-OE2 2.77Å; K159-E195 IonicContact NZ-OE2 2.66Å; K159-E195 PolarHBondContact NZ-OE2 2.81Å; Y161-E195 PolarHBondContact OH-OE1 2.91Å; E195-S197 PolarHBondContact O-N 2.95Å; E195-D198 WeakPolarHBondContact O-CB 3.19Å; E195-D198 PolarHBondContact O-N 3.02Å; E195-V199 VanDerWaalsContact O-CG2 3.26Å; E195-V199 WeakPolarHBondContact O-CG2 3.41Å; E195-V199 PolarHBondContact O-N 3.19Å; E195-V199 VanDerWaalsContact O-N 3.15Å
196A95.6Very high90.7Very high0 Ų018.4 Ų18.40%010%0.101CC..Hα-helixtrans-62.5-35.4177.800000111.5Y155 Y156 G194 V199 V200 S276 P770Y155-A196 HydrophobicContact CD1-CB 3.73Å; Y155-A196 HydrophobicContact CE1-CB 3.28Å; Y155-A196 HydrophobicContact CE2-CB 4.5Å; Y155-A196 WeakPolarHBondContact OH-CA 3.37Å; Y155-A196 PolarHBondContact OH-N 3.33Å; Y156-A196 HydrophobicContact CE1-CB 4.31Å; Y156-A196 WeakPolarHBondContact OH-CB 3.43Å; G194-A196 VanDerWaalsContact C-N 3.3Å; G194-A196 PolarHBondContact O-N 3.28Å; A196-V199 PolarHBondContact O-N 3.01Å; A196-V200 WeakPolarHBondContact O-CG2 3.31Å; A196-V200 PolarHBondContact O-N 3.38Å; A196-S276 WeakPolarHBondContact CB-OG 3.44Å; A196-S276 PolarHBondContact N-OG 3.36Å; A196-P770 HydrophobicContact CB-CB 4.1Å; A196-P770 HydrophobicContact CB-CG 4.15Å
197S96.1Very high91.4Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-71.2-34.4179.4-60.10000111.8F193 G194 E195 V199 V200 A201 V274 F275 S276F193-S197 WeakPolarHBondContact O-CB 3.5Å; F193-S197 PolarHBondContact O-OG 2.83Å; G194-S197 WeakPolarHBondContact O-CA 3.46Å; G194-S197 VanDerWaalsContact O-CB 3.28Å; G194-S197 WeakPolarHBondContact O-CB 3.45Å; G194-S197 PolarHBondContact O-N 2.87Å; E195-S197 PolarHBondContact O-N 2.95Å; S197-V199 VanDerWaalsContact C-N 3.3Å; S197-V199 PolarHBondContact O-N 2.81Å; S197-V200 PolarHBondContact O-N 3.08Å; S197-A201 WeakPolarHBondContact O-CB 3.47Å; S197-A201 PolarHBondContact O-N 3.44Å; S197-V274 VanDerWaalsContact OG-C 3.27Å; S197-V274 PolarHBondContact OG-O 3.43Å; S197-F275 PolarHBondContact OG-N 3.23Å; S197-S276 PolarHBondContact N-OG 3.13Å; S197-S276 PolarHBondContact OG-N 3.21Å; S197-S276 PolarHBondContact OG-OG 2.83Å
198D93.2Very high91.8Very high82 Ų8218.6 Ų18.644%0.43910%0.098SC..Hα-helixtrans-65-36.4172.9-66.2-34.7000111.5G194 E195 A201 A202G194-D198 PolarHBondContact O-N 2.56Å; G194-D198 VanDerWaalsContact O-N 3.11Å; E195-D198 WeakPolarHBondContact O-CB 3.19Å; E195-D198 PolarHBondContact O-N 3.02Å; D198-A201 WeakPolarHBondContact O-CB 3.31Å; D198-A201 PolarHBondContact O-N 3.1Å; D198-A202 PolarHBondContact O-N 2.88Å
199V95.3Very high91.5Very high19 Ų1923 Ų2312%0.11512%0.12CC..Hα-helixtrans-70.1-41.2176.4-178.40000111.2Y155 Y161 P164 H165 E195 A196 S197 A201 A202 G203Y155-V199 HydrophobicContact CE2-CG2 4.34Å; Y161-V199 HydrophobicContact CD1-CB 4.33Å; Y161-V199 HydrophobicContact CD1-CG1 3.98Å; Y161-V199 HydrophobicContact CD1-CG2 3.41Å; Y161-V199 VanDerWaalsContact CD1-CG2 3.41Å; Y161-V199 HydrophobicContact CE1-CG2 3.73Å; P164-V199 HydrophobicContact CB-CB 4.07Å; P164-V199 HydrophobicContact CB-CG1 3.85Å; H165-V199 HydrophobicContact CB-CG1 3.98Å; E195-V199 VanDerWaalsContact O-CG2 3.26Å; E195-V199 WeakPolarHBondContact O-CG2 3.41Å; E195-V199 PolarHBondContact O-N 3.19Å; E195-V199 VanDerWaalsContact O-N 3.15Å; A196-V199 PolarHBondContact O-N 3.01Å; S197-V199 VanDerWaalsContact C-N 3.3Å; S197-V199 PolarHBondContact O-N 2.81Å; V199-A201 VanDerWaalsContact C-N 3.3Å; V199-A201 PolarHBondContact O-N 2.97Å; V199-A202 WeakPolarHBondContact O-CB 3.37Å; V199-A202 PolarHBondContact O-N 2.59Å; V199-G203 PolarHBondContact O-N 3Å
200V96.4Very high91.2Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-58.8-44.8169.9171.40000109.9P164 M167 G168 L171 A196 S197 A202 G203 I204 V274 P770P164-V200 HydrophobicContact CB-CG2 4.08Å; P164-V200 WeakPolarHBondContact O-CA 3.35Å; P164-V200 VanDerWaalsContact O-CG2 3.3Å; P164-V200 WeakPolarHBondContact O-CG2 3.44Å; M167-V200 HydrophobicContact CB-CG2 4.41Å; M167-V200 HydrophobicContact CG-CG2 4.32Å; M167-V200 HydrophobicContact SD-CG2 4.26Å; G168-V200 WeakPolarHBondContact CA-O 2.89Å; L171-V200 HydrophobicContact CD2-CG1 3.99Å; A196-V200 WeakPolarHBondContact O-CG2 3.31Å; A196-V200 PolarHBondContact O-N 3.38Å; S197-V200 PolarHBondContact O-N 3.08Å; V200-A202 VanDerWaalsContact C-N 3.31Å; V200-A202 PolarHBondContact O-N 3.15Å; V200-G203 WeakPolarHBondContact O-CA 3.26Å; V200-G203 PolarHBondContact O-N 3.17Å; V200-G203 VanDerWaalsContact O-N 3.08Å; V200-I204 WeakPolarHBondContact O-CG1 3.3Å; V200-I204 PolarHBondContact O-N 2.99Å; V200-V274 HydrophobicContact CB-CG1 3.96Å; V200-V274 HydrophobicContact CG1-CG1 3.81Å; V200-V274 HydrophobicContact CG1-CG2 4.3Å; V200-V274 HydrophobicContact CG2-CG1 4.26Å; V200-P770 HydrophobicContact CG2-CB 4Å; V200-P770 HydrophobicContact CG2-CG 4.21Å
201A92.7Very high90.6Very high3 Ų330.3 Ų30.33%0.02516%0.161CC..Hα-helixtrans-60.7-39.1176.400000112.2A192 S197 D198 V199 G203 I204 R205 V725A192-A201 HydrophobicContact CB-CB 4.47Å; S197-A201 WeakPolarHBondContact O-CB 3.47Å; S197-A201 PolarHBondContact O-N 3.44Å; D198-A201 WeakPolarHBondContact O-CB 3.31Å; D198-A201 PolarHBondContact O-N 3.1Å; V199-A201 VanDerWaalsContact C-N 3.3Å; V199-A201 PolarHBondContact O-N 2.97Å; A201-G203 VanDerWaalsContact C-N 3.34Å; A201-I204 PolarHBondContact O-N 2.66Å; A201-R205 WeakPolarHBondContact O-CG 3.2Å; A201-R205 PolarHBondContact O-N 3.38Å; A201-V725 HydrophobicContact CB-CG1 3.87Å; A201-V725 HydrophobicContact CB-CG2 3.9Å
202A91.3Very high89.4Confident37 Ų3732.7 Ų32.731%0.30619%0.185SC..Hα-helixtrans-62.3-39.1172.300000112.4D198 V199 V200 R205 L206D198-A202 PolarHBondContact O-N 2.88Å; V199-A202 WeakPolarHBondContact O-CB 3.37Å; V199-A202 PolarHBondContact O-N 2.59Å; V200-A202 VanDerWaalsContact C-N 3.31Å; V200-A202 PolarHBondContact O-N 3.15Å; A202-R205 WeakPolarHBondContact O-CB 3.42Å; A202-R205 PolarHBondContact O-N 2.83Å; A202-L206 PolarHBondContact O-N 3.34Å
203G93.3Very high87.7Confident0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-63.1-39.817300000113.2G168 V199 V200 A201 R205 L206 Y207G168-G203 VanDerWaalsContact C-C 3.43Å; V199-G203 PolarHBondContact O-N 3Å; V200-G203 WeakPolarHBondContact O-CA 3.26Å; V200-G203 PolarHBondContact O-N 3.17Å; V200-G203 VanDerWaalsContact O-N 3.08Å; A201-G203 VanDerWaalsContact C-N 3.34Å; G203-R205 VanDerWaalsContact C-N 3.32Å; G203-R205 PolarHBondContact O-N 3.43Å; G203-L206 PolarHBondContact O-N 3.11Å; G203-Y207 PolarHBondContact O-N 3.29Å
204I92.3Very high85.5Confident0 Ų038.1 Ų38.10%022%0.216CC..Hα-helixtrans-61.9-42.6174-61.8170.8000110.3G168 L171 P185 I190 V200 A201 Y207 C208 L727G168-I204 WeakPolarHBondContact O-CA 3.24Å; G168-I204 WeakPolarHBondContact O-CG1 3.46Å; G168-I204 PolarHBondContact O-N 3.31Å; L171-I204 HydrophobicContact CB-CD1 4.49Å; L171-I204 HydrophobicContact CB-CG1 4.33Å; L171-I204 HydrophobicContact CD2-CD1 3.86Å; L171-I204 HydrophobicContact CG-CD1 4.07Å; L171-I204 HydrophobicContact CG-CG1 4.42Å; P185-I204 HydrophobicContact CB-CG2 3.99Å; P185-I204 HydrophobicContact CG-CG2 4.39Å; I190-I204 HydrophobicContact CD1-CD1 3.8Å; I190-I204 HydrophobicContact CD1-CG2 4.02Å; V200-I204 WeakPolarHBondContact O-CG1 3.3Å; V200-I204 PolarHBondContact O-N 2.99Å; A201-I204 PolarHBondContact O-N 2.66Å; I204-Y207 WeakPolarHBondContact O-CB 3.32Å; I204-Y207 PolarHBondContact O-N 3.17Å; I204-C208 PolarHBondContact O-N 3.41Å; I204-C208 PolarHBondContact O-SG 3.13Å; I204-L727 HydrophobicContact CB-CD2 4.44Å; I204-L727 HydrophobicContact CG2-CD1 4.32Å; I204-L727 HydrophobicContact CG2-CD2 4.09Å
205R87.3Confident83.2Confident47 Ų4740 Ų4018%0.17723%0.228CC..Hα-helixtrans-59.8-46.5175.8-67.6172.8-172.7-127.38.3111.5A201 A202 G203 Y207 C208 I209 N726 L727 D729A201-R205 WeakPolarHBondContact O-CG 3.2Å; A201-R205 PolarHBondContact O-N 3.38Å; A202-R205 WeakPolarHBondContact O-CB 3.42Å; A202-R205 PolarHBondContact O-N 2.83Å; G203-R205 VanDerWaalsContact C-N 3.32Å; G203-R205 PolarHBondContact O-N 3.43Å; R205-Y207 VanDerWaalsContact C-N 3.28Å; R205-Y207 PolarHBondContact O-N 3.13Å; R205-C208 WeakPolarHBondContact O-CB 3.27Å; R205-C208 PolarHBondContact O-N 3.28Å; R205-I209 WeakPolarHBondContact O-CG1 3.34Å; R205-I209 PolarHBondContact O-N 3.43Å; R205-N726 PolarHBondContact NH1-O 3.36Å; R205-N726 PolarHBondContact NH2-O 3.14Å; R205-L727 HydrophobicContact CG-CB 4.27Å; R205-L727 HydrophobicContact CG-CD2 3.39Å; R205-L727 HydrophobicContact CG-CG 4.45Å; R205-D729 VanDerWaalsContact NH1-CB 3.33Å
206L86.7Confident81Confident37 Ų3741.8 Ų41.819%0.19424%0.239CC..Hα-helixtrans-59.2-41.9177.9-178.261.4000111.4H165 M169 A202 G203 C208 I209 Q210H165-L206 WeakPolarHBondContact NE2-CD2 3.28Å; M169-L206 HydrophobicContact CE-CD2 4.36Å; M169-L206 HydrophobicContact SD-CD2 3.99Å; A202-L206 PolarHBondContact O-N 3.34Å; G203-L206 PolarHBondContact O-N 3.11Å; L206-C208 VanDerWaalsContact C-N 3.3Å; L206-C208 PolarHBondContact O-N 2.88Å; L206-I209 PolarHBondContact O-N 3Å; L206-Q210 HydrophobicContact CD1-CG 4.25Å; L206-Q210 HydrophobicContact CG-CG 4.42Å; L206-Q210 WeakPolarHBondContact O-CG 3.23Å; L206-Q210 PolarHBondContact O-N 2.98Å
207Y88.1Confident78.1Confident41 Ų4146.1 Ų46.116%0.16126%0.262CS..Hα-helixtrans-58.5-42.1173.5176.9-91.2000112.2G172 R173 K176 P185 G203 I204 R205 I209 Q210 S211G172-Y207 VanDerWaalsContact C-CD1 3.46Å; G172-Y207 VanDerWaalsContact C-CE1 3.49Å; G172-Y207 WeakPolarHBondContact O-CE1 3.38Å; R173-Y207 VanDerWaalsContact CA-CZ 3.49Å; R173-Y207 HydrophobicContact CB-CD2 4.22Å; R173-Y207 HydrophobicContact CB-CE2 3.67Å; R173-Y207 HydrophobicContact CG-CE2 4.07Å; K176-Y207 HydrophobicContact CB-CE1 3.99Å; P185-Y207 HydrophobicContact CG-CD1 3.93Å; P185-Y207 HydrophobicContact CG-CE1 4.1Å; G203-Y207 PolarHBondContact O-N 3.29Å; I204-Y207 WeakPolarHBondContact O-CB 3.32Å; I204-Y207 PolarHBondContact O-N 3.17Å; R205-Y207 VanDerWaalsContact C-N 3.28Å; R205-Y207 PolarHBondContact O-N 3.13Å; Y207-I209 VanDerWaalsContact C-N 3.32Å; Y207-I209 PolarHBondContact O-N 3.44Å; Y207-Q210 PolarHBondContact O-N 2.92Å; Y207-S211 WeakPolarHBondContact O-CB 3.4Å; Y207-S211 PolarHBondContact O-N 3.5Å; Y207-S211 PolarHBondContact O-OG 2.9Å
208C84Confident75.1Confident1 Ų155.9 Ų55.91%0.00730%0.299CS..Hα-helixtrans-64.9-36.2178.6-61.10000112.6P185 M186 I204 R205 L206 S211 L213 V214P185-C208 VanDerWaalsContact CG-SG 3.57Å; M186-C208 HydrophobicContact CE-CB 3.64Å; M186-C208 WeakPolarHBondContact CE-SG 3.34Å; M186-C208 HydrophobicContact SD-CB 3.95Å; I204-C208 PolarHBondContact O-N 3.41Å; I204-C208 PolarHBondContact O-SG 3.13Å; R205-C208 WeakPolarHBondContact O-CB 3.27Å; R205-C208 PolarHBondContact O-N 3.28Å; L206-C208 VanDerWaalsContact C-N 3.3Å; L206-C208 PolarHBondContact O-N 2.88Å; C208-S211 WeakPolarHBondContact CA-OG 3.47Å; C208-S211 PolarHBondContact O-OG 2.94Å; C208-L213 PolarHBondContact O-N 3.43Å; C208-V214 HydrophobicContact CB-CG2 4.34Å
209I79Confident72.1Confident102 Ų10260.4 Ų60.452%0.52332%0.315SS..Hα-helixtrans-66.4-51.4174.1-64.6166.7000110R205 L206 Y207 S211 G212 V214R205-I209 WeakPolarHBondContact O-CG1 3.34Å; R205-I209 PolarHBondContact O-N 3.43Å; L206-I209 PolarHBondContact O-N 3Å; Y207-I209 VanDerWaalsContact C-N 3.32Å; Y207-I209 PolarHBondContact O-N 3.44Å; I209-S211 VanDerWaalsContact C-N 3.3Å; I209-S211 PolarHBondContact O-N 3.36Å; I209-G212 PolarHBondContact O-N 3.19Å; I209-G212 VanDerWaalsContact O-N 3.12Å; I209-V214 HydrophobicContact CG1-CG2 4.43Å
210Q81.1Confident69Low126 Ų12664.9 Ų64.959%0.58934%0.342SS*.Hα-helixtrans-65.8-30.6-177.3-71.8-178.7-8.900113.5L206 Y207 G212L206-Q210 HydrophobicContact CD1-CG 4.25Å; L206-Q210 HydrophobicContact CG-CG 4.42Å; L206-Q210 WeakPolarHBondContact O-CG 3.23Å; L206-Q210 PolarHBondContact O-N 2.98Å; Y207-Q210 PolarHBondContact O-N 2.92Å; Q210-G212 VanDerWaalsContact C-N 3.26Å; Q210-G212 PolarHBondContact O-N 3.35Å
211S78.2Confident65.7Low52 Ų5270.6 Ų70.636%0.36438%0.379SS..THydrogen-bonded Turntrans-81.1-0.7176.854.20000113.9Y207 C208 I209 L213Y207-S211 WeakPolarHBondContact O-CB 3.4Å; Y207-S211 PolarHBondContact O-N 3.5Å; Y207-S211 PolarHBondContact O-OG 2.9Å; C208-S211 WeakPolarHBondContact CA-OG 3.47Å; C208-S211 PolarHBondContact O-OG 2.94Å; I209-S211 VanDerWaalsContact C-N 3.3Å; I209-S211 PolarHBondContact O-N 3.36Å; S211-L213 PolarHBondContact O-N 3.36Å; S211-L213 WeakPolarHBondContact OG-CD1 3.29Å; S211-L213 WeakPolarHBondContact OG-CG 3.49Å
212G69.7Low62.6Low50 Ų5076.5 Ų76.552%0.51542%0.415SS..THydrogen-bonded Turntrans70.210.8179.900000114.5I209 Q210 V214I209-G212 PolarHBondContact O-N 3.19Å; I209-G212 VanDerWaalsContact O-N 3.12Å; Q210-G212 VanDerWaalsContact C-N 3.26Å; Q210-G212 PolarHBondContact O-N 3.35Å; G212-V214 PolarHBondContact O-N 2.97Å
213L59.9Low59.6Low51 Ų5182 Ų8227%0.26744%0.438SS..  trans-66.4-23.5175.7-66.5172.1000111.7K176 A184 M186 C208 S211 S215K176-L213 HydrophobicContact CD-CD1 4.35Å; A184-L213 WeakPolarHBondContact O-CD1 3.17Å; M186-L213 HydrophobicContact CG-CB 4.22Å; C208-L213 PolarHBondContact O-N 3.43Å; S211-L213 PolarHBondContact O-N 3.36Å; S211-L213 WeakPolarHBondContact OG-CD1 3.29Å; S211-L213 WeakPolarHBondContact OG-CG 3.49Å; L213-S215 PolarHBondContact O-N 3.43Å
214V50.5Low56.4Low65 Ų6589 Ų8939%0.39448%0.475SS..SBendtrans-90.490.5166.5-172.80000108.3M186 C208 I209 G212 L216M186-V214 HydrophobicContact SD-CG2 4.06Å; C208-V214 HydrophobicContact CB-CG2 4.34Å; I209-V214 HydrophobicContact CG1-CG2 4.43Å; G212-V214 PolarHBondContact O-N 2.97Å; V214-L216 PolarHBondContact O-N 3.27Å
215S44.1Very low53.1Low50 Ų5093.9 Ų93.935%0.3551%0.508SS..  trans-69.7113.5-179.6171.40000112.2L213 R747L213-S215 PolarHBondContact O-N 3.43Å; S215-R747 PolarHBondContact O-NH1 3.26Å
216L45.8Very low50Low115 Ų11597.9 Ų97.960%0.60253%0.533SS*.SBendtrans-77.4-15.2175-86.7133.7000114.9V214V214-L216 PolarHBondContact O-N 3.27Å
217D35.7Very low47.1Very low90 Ų90104.6 Ų104.648%0.48156%0.563SS.*  trans-155111.4-178.7-115.8-20.4000109.8K745D217-K745 IonicContact OD1-NZ 3.35Å; D217-K745 PolarHBondContact OD1-NZ 3.12Å; D217-K745 IonicContact OD2-NZ 3.34Å
218R31.7Very low44.1Very low205 Ų205107.6 Ų107.677%0.77459%0.591SS**  trans-109.695.7153.8-83.5-170.5179.9-177.60.9105.8V220R218-V220 PolarHBondContact O-N 2.71Å
219K30.7Very low41.2Very low178 Ų178115 Ų11577%0.77463%0.63SS**  trans-61.1107.5162.9-76.6-177.1178.4177.80106.7
220V31.1Very low38.6Very low113 Ų113121.5 Ų121.569%0.68565%0.65SS**  trans-53.8132.5165178.10000106.6R218 T222R218-V220 PolarHBondContact O-N 2.71Å; V220-T222 VanDerWaalsContact C-N 3.25Å; V220-T222 PolarHBondContact O-N 2.86Å
221P27.4Very low35.8Very low119 Ų119126.4 Ų126.477%0.77366%0.663SS**  trans-72.485-177.529.4-32.1000109I223P221-I223 PolarHBondContact O-N 3.2Å
222T27.7Very low33.2Very low127 Ų127129.4 Ų129.478%0.77968%0.684SS**  trans-73.4103.816324.70000107.9V220 N224V220-T222 VanDerWaalsContact C-N 3.25Å; V220-T222 PolarHBondContact O-N 2.86Å; T222-N224 PolarHBondContact O-N 2.97Å
223I27.9Very low31Very low154 Ų154133.8 Ų133.879%0.7970%0.696SS**  trans-51.5115.7158.3-60.9166.8000107.1P221P221-I223 PolarHBondContact O-N 3.2Å
224N24.9Very low29.4Very low146 Ų146137.7 Ų137.778%0.78172%0.721SS**  trans171.893.8152-86.6-14.3000106.9T222T222-N224 PolarHBondContact O-N 2.97Å
225C23.2Very low28.1Very low103 Ų103140.3 Ų140.370%0.69674%0.742SS**  60.6104.296.5-141.20000113
226N23.4Very low27.2Very low131 Ų131143.7 Ų143.770%0.70176%0.76SS**  trans67.3104.6145.7-63.6-6.1000118.5
227Q25.3Very low26.1Very low177 Ų177143.7 Ų143.783%0.82777%0.77SS**  159.8149.491.2-101.4164.318.200113.3
228S24.9Very low25.6Very low105 Ų105147 Ų14773%0.73479%0.788SS**  trans81.289.6155.967.30000120.2
229N23.6Very low25.3Very low155 Ų155146 Ų14683%0.82979%0.792SS**  33.2103.7118.1-64.3-13.3000118.6
230Y23.9Very low25Very low239 Ų239142.5 Ų142.594%0.93779%0.79SS**  trans-136.6117.1139.3-102-87.2000109.9
231R21.4Very low24.7Very low229 Ų229145.1 Ų145.186%0.86480%0.798SS**  trans-82.7125177.7-119.2176.1176.5173.1-1.4108
232S25.4Very low24.6Very low116 Ų116147.3 Ų147.381%0.81180%0.803SS**  trans-144.1105.7156.657.70000108.7
233N23.2Very low24.3Very low142 Ų142146.8 Ų146.876%0.75980%0.8SS**  trans-74.6116.5179.7-59.6-26.7000109.5
234V25.6Very low24.3Very low133 Ų133145.4 Ų145.481%0.80680%0.801SS**  trans-137.9100.5150.4-179.40000106.6V236V234-V236 PolarHBondContact O-N 3.3Å
235S22.5Very low24.2Very low119 Ų119145.1 Ų145.183%0.83280%0.799SS**  trans-74.6110176.648.90000109.6
236V25.4Very low24.5Very low121 Ų121148.1 Ų148.173%0.73381%0.808SS**  trans-100.6119.2157.7-1800000105.8V234 D238V234-V236 PolarHBondContact O-N 3.3Å; V236-D238 PolarHBondContact O-N 3.07Å
237S24Very low25.1Very low115 Ų115147.1 Ų147.180%0.80481%0.809SS**  trans-70.8107.5-17641.90000111.1
238D24.4Very low25.1Very low161 Ų161147.6 Ų147.686%0.86182%0.816SS**  trans-81.1118.2165.4-81-33000109.8V236V236-D238 PolarHBondContact O-N 3.07Å
239E24.6Very low25.1Very low182 Ų182151.9 Ų151.985%0.8582%0.822SS**  trans-96104.3167.7-85.6-161.7148.500111.4
240S24.4Very low25.1Very low105 Ų105151.3 Ų151.373%0.73482%0.816SS**  trans43.996.7136.862.20000119.2
241I25.9Very low25Very low168 Ų168147.5 Ų147.586%0.86281%0.811SS**PPolyproline II helixtrans-97.8122.2157.4-64.8172.7000108.3
242L24.9Very low25.1Very low166 Ų166139.9 Ų139.987%0.86980%0.804SS**PPolyproline II helixtrans-68126.4178.1-73.5160.1000111.6
243T22.6Very low25.1Very low116 Ų116140.2 Ų140.271%0.71281%0.806SS**PPolyproline II helixtrans-80.4139.2175.448.70000112.6
244P26.4Very low25Very low125 Ų125143 Ų14381%0.81282%0.815SS**PPolyproline II helixtrans-103.7116.5152.121.5-4.5000110.2
245N23.7Very low25Very low139 Ų139141.6 Ų141.674%0.74381%0.81SS**PPolyproline II helixtrans-67.4136.2172.1-68.5-37.1000111.2
246N28.3Very low25.1Very low166 Ų166142.2 Ų142.289%0.88882%0.815SS**  trans-155.3120.5144.8-104.9-17.9000110.4
247P37.5Very low25.2Very low111 Ų111140.9 Ų140.972%0.72181%0.811SS**  trans-95.6130.4179.534.6-27.2000110.3
248L25.2Very low25.3Very low187 Ų187140.7 Ų140.798%0.97981%0.81SS**  trans-131.8127.8159.9-79.6176000111.3
249K24.2Very low25.3Very low195 Ų195139.4 Ų139.485%0.84881%0.807SS**  trans-77.4149.3-168.2-105.8-179.8166.4173.60113
250M23.2Very low25.4Very low142 Ų142135.6 Ų135.670%0.780%0.801SS**  trans76.6109.3131.6-67.1-70.5-68.300121.5
251L22.3Very low25.6Very low159 Ų159137.5 Ų137.583%0.83280%0.802SS**  46.4117.8123.3-94.672000120.2
252G23.3Very low25.6Very low70 Ų70134.9 Ų134.972%0.72280%0.796SS**  trans-167.4100.8158.600000113
253S24.7Very low26.1Very low123 Ų123132.8 Ų132.886%0.8679%0.791SS**  trans42.1125.3152.257.40000121.9
254Q22.7Very low26.8Very low201 Ų201133.1 Ų133.194%0.93979%0.793SS**  trans-57.1131.1170.4-54.3179.87.400113.1
255S25.3Very low27.5Very low102 Ų102132.8 Ų132.871%0.71379%0.793SS**  trans-148.9121.314959.30000108.4S257S255-S257 PolarHBondContact O-N 3.46Å
256S24.9Very low29Very low132 Ų132129.8 Ų129.892%0.92379%0.788SS**  trans-54.2100.1176.146.10000111.8
257S25.8Very low30.8Very low93 Ų93126.9 Ų126.965%0.6576%0.764SS**  trans-130.8119164.160.10000108.4S255 T259S255-S257 PolarHBondContact O-N 3.46Å; S257-T259 PolarHBondContact O-N 3.34Å; S257-T259 VanDerWaalsContact O-N 3.16Å
258S26.4Very low32.4Very low112 Ų112123.5 Ų123.578%0.78374%0.742SS**  trans-29.3112.8173.349.90000112.8S260S258-S260 PolarHBondContact O-N 3.04Å
259T24.3Very low34.8Very low133 Ų133115 Ų11582%0.81670%0.698SS**  trans-68.378.9174.7-32.20000109.2S257 L261S257-T259 PolarHBondContact O-N 3.34Å; S257-T259 VanDerWaalsContact O-N 3.16Å; T259-L261 PolarHBondContact O-N 3.24Å; T259-L261 VanDerWaalsContact O-N 3.13Å
260S27.7Very low37.8Very low102 Ų102105.8 Ų105.871%0.71366%0.659SS**  trans-66109159.854.70000106.1S258S258-S260 PolarHBondContact O-N 3.04Å
261L27.4Very low41.1Very low145 Ų14599 Ų9976%0.75963%0.625SS**  trans-50130.9169.5-83.794.3000107.8T259 T263T259-L261 PolarHBondContact O-N 3.24Å; T259-L261 VanDerWaalsContact O-N 3.13Å; L261-T263 PolarHBondContact O-N 2.77Å
262P27.9Very low44.6Very low114 Ų11491.5 Ų91.574%0.7459%0.586SS**  trans-69.799.7179.628.4-30.4000107T264P262-T264 PolarHBondContact O-N 2.85Å
263T34.1Very low48.1Very low122 Ų12288.1 Ų88.175%0.74855%0.551SS**  trans-68.489.5167.553.30000106.7L261 S265L261-T263 PolarHBondContact O-N 2.77Å; T263-S265 PolarHBondContact O-N 3.34Å; T263-S265 VanDerWaalsContact O-N 3.1Å
264T37.2Very low51.6Low123 Ų12382.3 Ų82.376%0.75551%0.51SS*.  trans-46.9115.7167.6380000108.7P262 A266P262-T264 PolarHBondContact O-N 2.85Å; T264-A266 PolarHBondContact O-N 3.26Å
265S41.3Very low55.2Low118 Ų11872.7 Ų72.783%0.82547%0.466SS*.  trans0.978.2176.563.60000114.4T263 R267T263-S265 PolarHBondContact O-N 3.34Å; T263-S265 VanDerWaalsContact O-N 3.1Å; S265-R267 PolarHBondContact O-N 3.06Å
266A56.3Low58.6Low76 Ų7667.9 Ų67.963%0.62843%0.432SS*.  trans-66.3109.8-174.700000108.4T264T264-A266 PolarHBondContact O-N 3.26Å
267R64.8Low62Low105 Ų10561.6 Ų61.640%0.39639%0.388SS..PPolyproline II helixtrans-53.5141.6168.1-73.5-173.3-175.8163.611.9108.2E180 S265E180-R267 IonicContact OE1-CZ 3.67Å; E180-R267 IonicContact OE1-NH1 3.46Å; E180-R267 PolarHBondContact OE1-NH1 3.47Å; E180-R267 IonicContact OE1-NH2 3.54Å; E180-R267 PolarHBondContact OE1-NH2 3.42Å; E180-R267 IonicContact OE2-CZ 2.8Å; E180-R267 IonicContact OE2-NE 2.87Å; E180-R267 IonicContact OE2-NH1 3.1Å; E180-R267 PolarHBondContact OE2-NH1 3.06Å; E180-R267 IonicContact OE2-NH2 3.55Å; E180-R267 PolarHBondContact OE2-NH2 2.86Å; S265-R267 PolarHBondContact O-N 3.06Å
268P71.5Confident65.3Low39 Ų3959.8 Ų59.825%0.25337%0.371SS..PPolyproline II helixtrans-55.8139177.724.2-34.3000109.6V759 P764P268-V759 HydrophobicContact CB-CB 4.49Å; P268-V759 HydrophobicContact CB-CG1 3.94Å; P268-V759 HydrophobicContact CB-CG2 3.71Å; P268-V759 HydrophobicContact CG-CG2 3.8Å; P268-P764 HydrophobicContact CG-CG 4.27Å
269P75Confident68.5Low8 Ų855.3 Ų55.35%0.05234%0.338CS..PPolyproline II helixtrans-60.5148.417933.7-42.9000109.8G187 L271 L756 Q763G187-P269 WeakPolarHBondContact O-CB 3.35Å; P269-L271 PolarHBondContact O-N 3.1Å; P269-L756 HydrophobicContact CB-CB 4.44Å; P269-L756 HydrophobicContact CG-CB 3.69Å; P269-Q763 PolarHBondContact O-NE2 3.27Å
270P88.3Confident72Confident3 Ų349.4 Ų49.42%0.01930%0.301CS..PPolyproline II helixtrans-67.3135.3170.828.4-32.4000110.3L175 C188 R189 V272 P764 V766L175-P270 HydrophobicContact CD2-CG 4.14Å; C188-P270 HydrophobicContact CB-CG 4.02Å; C188-P270 WeakPolarHBondContact SG-CG 3.24Å; R189-P270 PolarHBondContact N-O 3.18Å; R189-P270 VanDerWaalsContact N-O 3.08Å; P270-V272 HydrophobicContact CB-CG2 4.33Å; P270-V272 HydrophobicContact CG-CG2 4.48Å; P270-P764 WeakPolarHBondContact CA-O 3.34Å; P270-P764 HydrophobicContact CB-CB 4.08Å; P270-V766 HydrophobicContact CB-CG2 4.25Å
271L92.2Very high75.2Confident0 Ų045.4 Ų45.40%027%0.271CS..EExtended strand (participates in β ladder)trans-83.4118.4162169.663.9000106.8R189 P269 L667 V670 W671 L758 P764 I765 V766R189-L271 HydrophobicContact CB-CD1 4.24Å; R189-L271 HydrophobicContact CG-CD1 4.16Å; P269-L271 PolarHBondContact O-N 3.1Å; L271-L667 HydrophobicContact CD2-CD1 4.4Å; L271-V670 HydrophobicContact CD1-CG1 4.14Å; L271-V670 HydrophobicContact CD2-CG1 4.5Å; L271-W671 HydrophobicContact CD2-CB 3.8Å; L271-W671 HydrophobicContact CD2-CG 4.47Å; L271-L758 HydrophobicContact CB-CD2 3.96Å; L271-L758 HydrophobicContact CD2-CD1 4.11Å; L271-P764 PolarHBondContact N-O 3.3Å; L271-I765 HydrophobicContact CB-CD1 3.85Å; L271-I765 HydrophobicContact CD2-CD1 3.79Å; L271-I765 HydrophobicContact CG-CD1 4.14Å; L271-I765 WeakPolarHBondContact O-CA 3.27Å; L271-V766 PolarHBondContact O-N 2.86Å
272V95.1Very high78.5Confident0 Ų038.8 Ų38.80%024%0.237CC..EExtended strand (participates in β ladder)trans-110.4126.2-177.3-173.30000108.1L171 L175 C188 R189 I190 H191 P270 V274 V766L171-V272 HydrophobicContact CD2-CG1 4.49Å; L175-V272 HydrophobicContact CD1-CG2 4.03Å; L175-V272 HydrophobicContact CD2-CG2 3.68Å; C188-V272 HydrophobicContact CB-CG2 4.18Å; R189-V272 PolarHBondContact O-N 3.43Å; I190-V272 CarbonylContact C-O 3.09Å; I190-V272 WeakPolarHBondContact CA-O 3.37Å; I190-V272 HydrophobicContact CB-CB 4.38Å; I190-V272 HydrophobicContact CG1-CB 4.06Å; I190-V272 HydrophobicContact CG1-CG2 4.26Å; I190-V272 HydrophobicContact CG2-CB 4.29Å; I190-V272 HydrophobicContact CG2-CG1 4.33Å; H191-V272 PolarHBondContact N-O 2.99Å; P270-V272 HydrophobicContact CB-CG2 4.33Å; P270-V272 HydrophobicContact CG-CG2 4.48Å; V272-V274 HydrophobicContact CG1-CG2 4.31Å; V272-V766 CarbonylContact C-O 3.49Å; V272-V766 VanDerWaalsContact CA-O 3.27Å; V272-V766 WeakPolarHBondContact CA-O 3.37Å; V272-V766 HydrophobicContact CB-CB 4.49Å; V272-V766 HydrophobicContact CG1-CB 4.24Å; V272-V766 HydrophobicContact CG1-CG1 4.4Å; V272-V766 HydrophobicContact CG2-CB 4.18Å
273L97.4Very high81.8Confident0 Ų033.4 Ų33.40%020%0.201CC..EExtended strand (participates in β ladder)trans-118121.1173-171.6154.2000108.6H191 F193 F275 V663 L666 L667 V766 V767 A768H191-L273 CarbonylContact O-C 3.56Å; H191-L273 WeakPolarHBondContact O-CA 3.36Å; F193-L273 HydrophobicContact CD2-CD1 4.23Å; F193-L273 HydrophobicContact CD2-CD2 4.13Å; F193-L273 HydrophobicContact CD2-CG 4.01Å; F193-L273 HydrophobicContact CE2-CD1 3.73Å; F193-L273 HydrophobicContact CE2-CD2 4.43Å; F193-L273 HydrophobicContact CE2-CG 3.86Å; L273-F275 HydrophobicContact CD2-CB 3.74Å; L273-V663 HydrophobicContact CD2-CG2 3.79Å; L273-L666 HydrophobicContact CD1-CB 4.34Å; L273-L667 HydrophobicContact CB-CD1 4.05Å; L273-L667 HydrophobicContact CD1-CB 3.92Å; L273-L667 HydrophobicContact CD1-CD1 3.95Å; L273-V766 PolarHBondContact N-O 3.05Å; L273-V767 HydrophobicContact CD2-CG1 4.39Å; L273-V767 CarbonylContact O-C 3.52Å; L273-V767 WeakPolarHBondContact O-CA 3.46Å; L273-A768 PolarHBondContact O-N 2.81Å
274V98.4Very high84.8Confident0 Ų027.6 Ų27.60%017%0.166CC..EExtended strand (participates in β ladder)trans-105.9125.3174.7-1670000108.1L171 I190 H191 F193 S197 V200 V272 A768 P770L171-V274 HydrophobicContact CD2-CG2 4.31Å; I190-V274 HydrophobicContact CG2-CG2 4.32Å; H191-V274 PolarHBondContact O-N 3.06Å; F193-V274 PolarHBondContact N-O 3.45Å; S197-V274 VanDerWaalsContact OG-C 3.27Å; S197-V274 PolarHBondContact OG-O 3.43Å; V200-V274 HydrophobicContact CB-CG1 3.96Å; V200-V274 HydrophobicContact CG1-CG1 3.81Å; V200-V274 HydrophobicContact CG1-CG2 4.3Å; V200-V274 HydrophobicContact CG2-CG1 4.26Å; V272-V274 HydrophobicContact CG1-CG2 4.31Å; V274-A768 WeakPolarHBondContact CA-O 2.99Å; V274-A768 HydrophobicContact CB-CB 4.4Å; V274-A768 HydrophobicContact CG1-CB 4.13Å; V274-A768 HydrophobicContact CG2-CB 4.17Å; V274-P770 HydrophobicContact CG1-CG 4.01Å
275F97.9Very high87.5Confident0 Ų021.8 Ų21.80%013%0.13CC..EExtended strand (participates in β ladder)trans-128.7115.2-169.7-173.9-98.8000112.4F193 S197 L273 L279 D280 L662 V663 L666 M712 A768 F769 P770F193-F275 HydrophobicContact CB-CD2 4.25Å; S197-F275 PolarHBondContact OG-N 3.23Å; L273-F275 HydrophobicContact CD2-CB 3.74Å; F275-L279 HydrophobicContact CD2-CD1 4.4Å; F275-L279 HydrophobicContact CE1-CB 4.38Å; F275-L279 HydrophobicContact CE2-CB 3.96Å; F275-L279 HydrophobicContact CE2-CD1 4.08Å; F275-L279 HydrophobicContact CZ-CB 3.68Å; F275-D280 HydrophobicContact CE1-CB 3.84Å; F275-D280 HydrophobicContact CZ-CB 3.74Å; F275-L662 HydrophobicContact CE2-CB 4.48Å; F275-L662 HydrophobicContact CE2-CD2 4.15Å; F275-L662 HydrophobicContact CE2-CG 4.23Å; F275-L662 HydrophobicContact CZ-CB 4.02Å; F275-L662 HydrophobicContact CZ-CD2 3.92Å; F275-L662 HydrophobicContact CZ-CG 4.15Å; F275-V663 HydrophobicContact CB-CG2 3.92Å; F275-V663 HydrophobicContact CD1-CB 4.02Å; F275-V663 HydrophobicContact CD1-CG2 4.28Å; F275-V663 HydrophobicContact CD2-CB 4.26Å; F275-V663 HydrophobicContact CD2-CG2 4.33Å; F275-V663 HydrophobicContact CE1-CB 4.3Å; F275-V663 HydrophobicContact CG-CB 4Å; F275-V663 HydrophobicContact CG-CG2 3.91Å; F275-L666 HydrophobicContact CD2-CD1 4.02Å; F275-L666 HydrophobicContact CE2-CD1 3.65Å; F275-M712 HydrophobicContact CE2-CE 4.32Å; F275-A768 PolarHBondContact N-O 3.46Å; F275-F769 HydrophobicContact CD1-CD1 4.19Å; F275-F769 HydrophobicContact CD1-CE1 4.06Å; F275-P770 VanDerWaalsContact O-CD 3.28Å; F275-P770 WeakPolarHBondContact O-CD 3.42Å
276S97.1Very high90Very high0 Ų016.5 Ų16.50%09%0.092CC..  trans-73.7138.3178.8-60.80000112Y156 F193 G194 A196 S197 D278 L279Y156-S276 WeakPolarHBondContact OH-CA 3.49Å; F193-S276 WeakPolarHBondContact O-CB 3.4Å; F193-S276 PolarHBondContact O-N 2.73Å; F193-S276 PolarHBondContact O-OG 2.83Å; F193-S276 VanDerWaalsContact O-OG 3.1Å; G194-S276 WeakPolarHBondContact CA-OG 3.39Å; G194-S276 PolarHBondContact O-OG 2.88Å; A196-S276 WeakPolarHBondContact CB-OG 3.44Å; A196-S276 PolarHBondContact N-OG 3.36Å; S197-S276 PolarHBondContact N-OG 3.13Å; S197-S276 PolarHBondContact OG-N 3.21Å; S197-S276 PolarHBondContact OG-OG 2.83Å; S276-D278 VanDerWaalsContact C-N 3.34Å; S276-D278 WeakPolarHBondContact CB-OD1 3.5Å; S276-D278 PolarHBondContact O-N 3.22Å; S276-L279 WeakPolarHBondContact O-CB 3.36Å; S276-L279 PolarHBondContact O-N 3.45Å
277R95.7Very high91.7Very high0 Ų013.6 Ų13.60%07%0.067CC..G310 helixtrans-66.4-32.7-174-179.148.848.1-162.83.3113.3F152 Y156 L279 D280 Y281 F769 G772 E777 L805F152-R277 HydrophobicContact CD2-CB 4.43Å; F152-R277 HydrophobicContact CD2-CG 4.11Å; F152-R277 HydrophobicContact CE2-CB 4.37Å; F152-R277 HydrophobicContact CE2-CG 3.86Å; Y156-R277 HydrophobicContact CE2-CB 4.31Å; Y156-R277 PolarHBondContact OH-N 2.95Å; R277-L279 PolarHBondContact O-N 3.36Å; R277-L279 VanDerWaalsContact O-N 3.13Å; R277-D280 PolarHBondContact NH1-O 3.42Å; R277-D280 VanDerWaalsContact NH1-O 3.08Å; R277-D280 CarbonylContact O-C 3.43Å; R277-D280 PolarHBondContact O-N 2.94Å; R277-D280 VanDerWaalsContact O-N 3.11Å; R277-Y281 HydrophobicContact CG-CD1 4.35Å; R277-Y281 HydrophobicContact CG-CE1 4.06Å; R277-F769 VanDerWaalsContact NH2-CD1 3.28Å; R277-G772 PolarHBondContact NE-O 2.98Å; R277-G772 PolarHBondContact NH2-O 3Å; R277-E777 IonicContact CZ-OE1 3.91Å; R277-E777 VanDerWaalsContact CZ-OE1 3.27Å; R277-E777 IonicContact CZ-OE2 2.92Å; R277-E777 IonicContact NH1-OE1 3.13Å; R277-E777 PolarHBondContact NH1-OE1 3.32Å; R277-E777 IonicContact NH1-OE2 3.79Å; R277-E777 VanDerWaalsContact NH2-CD 3.34Å; R277-E777 IonicContact NH2-OE1 2.89Å; R277-E777 PolarHBondContact NH2-OE1 2.67Å; R277-E777 IonicContact NH2-OE2 3.97Å; R277-E777 PolarHBondContact NH2-OE2 2.79Å; R277-E777 VanDerWaalsContact NH2-OE2 3.13Å; R277-L805 HydrophobicContact CG-CD1 4.4Å
278D94.4Very high93.1Very high55 Ų558.9 Ų8.929%0.2945%0.05SC..G310 helixtrans-62.3-16.2176.464.2-33.7000114.2Y156 S276 Y281Y156-D278 HydrophobicContact CD1-CB 3.83Å; Y156-D278 HydrophobicContact CE1-CB 3.73Å; Y156-D278 WeakPolarHBondContact CE1-OD1 3.4Å; S276-D278 VanDerWaalsContact C-N 3.34Å; S276-D278 WeakPolarHBondContact CB-OD1 3.5Å; S276-D278 PolarHBondContact O-N 3.22Å; D278-Y281 HydrophobicContact CB-CE2 4.24Å
279L95.3Very high94.1Very high18 Ų187.5 Ų7.59%0.0944%0.04CC..G310 helixtrans-79.3-20.9175.8-61.8180000113.7F193 F275 S276 R277 L662 M712F193-L279 HydrophobicContact CB-CD1 3.72Å; F193-L279 WeakPolarHBondContact O-CD1 3.3Å; F275-L279 HydrophobicContact CD2-CD1 4.4Å; F275-L279 HydrophobicContact CE1-CB 4.38Å; F275-L279 HydrophobicContact CE2-CB 3.96Å; F275-L279 HydrophobicContact CE2-CD1 4.08Å; F275-L279 HydrophobicContact CZ-CB 3.68Å; S276-L279 WeakPolarHBondContact O-CB 3.36Å; S276-L279 PolarHBondContact O-N 3.45Å; R277-L279 PolarHBondContact O-N 3.36Å; R277-L279 VanDerWaalsContact O-N 3.13Å; L279-L662 WeakPolarHBondContact O-CD2 3.36Å; L279-M712 HydrophobicContact CB-CE 3.84Å; L279-M712 HydrophobicContact CD1-CE 3.69Å; L279-M712 HydrophobicContact CD2-CB 4.5Å; L279-M712 HydrophobicContact CD2-CE 4.07Å; L279-M712 HydrophobicContact CG-CE 4.09Å
280D96.4Very high95.1Very high9 Ų97.1 Ų7.15%0.0484%0.038CC..  trans-149.983.9179.3-173.86.4000111.7F275 R277 V282 T283 P284 L662F275-D280 HydrophobicContact CE1-CB 3.84Å; F275-D280 HydrophobicContact CZ-CB 3.74Å; R277-D280 PolarHBondContact NH1-O 3.42Å; R277-D280 VanDerWaalsContact NH1-O 3.08Å; R277-D280 CarbonylContact O-C 3.43Å; R277-D280 PolarHBondContact O-N 2.94Å; R277-D280 VanDerWaalsContact O-N 3.11Å; D280-V282 PolarHBondContact OD1-N 3.35Å; D280-T283 PolarHBondContact OD1-N 3.1Å; D280-T283 PolarHBondContact OD1-OG1 3.46Å; D280-T283 WeakPolarHBondContact OD2-CB 3.25Å; D280-T283 PolarHBondContact OD2-OG1 3.36Å; D280-P284 VanDerWaalsContact O-CD 3.24Å; D280-P284 WeakPolarHBondContact O-CD 3.28Å; D280-L662 HydrophobicContact CB-CB 3.89Å; D280-L662 HydrophobicContact CB-CD2 4.23Å; D280-L662 WeakPolarHBondContact OD2-CB 3.39Å; D280-L662 PolarHBondContact OD2-N 3.2Å
281Y96.3Very high95.5Very high18 Ų187.1 Ų7.17%0.0714%0.038CC..SBendtrans-81.3-15.6166.3-67.3-51.5000113.4F152 R277 D278 P284 L285 L561 L563 L805F152-Y281 AromaticContact CE2-CE1 3.89Å; F152-Y281 HydrophobicContact CE2-CE1 3.89Å; F152-Y281 AromaticContact CZ-CE1 3.95Å; F152-Y281 HydrophobicContact CZ-CE1 3.95Å; R277-Y281 HydrophobicContact CG-CD1 4.35Å; R277-Y281 HydrophobicContact CG-CE1 4.06Å; D278-Y281 HydrophobicContact CB-CE2 4.24Å; Y281-P284 VanDerWaalsContact O-CD 3.32Å; Y281-P284 WeakPolarHBondContact O-CD 3.45Å; Y281-P284 WeakPolarHBondContact O-CG 3.41Å; Y281-L285 WeakPolarHBondContact O-CB 3.34Å; Y281-L285 VanDerWaalsContact O-CD1 3.31Å; Y281-L285 WeakPolarHBondContact O-CD1 3.5Å; Y281-L285 WeakPolarHBondContact O-CG 3.32Å; Y281-L285 PolarHBondContact O-N 3.41Å; Y281-L561 WeakPolarHBondContact CE2-O 3.45Å; Y281-L563 HydrophobicContact CD1-CD2 4.01Å; Y281-L563 HydrophobicContact CD2-CD2 3.79Å; Y281-L563 HydrophobicContact CD2-CG 4.45Å; Y281-L563 HydrophobicContact CE2-CD2 4.31Å; Y281-L563 HydrophobicContact CG-CD2 3.62Å; Y281-L805 HydrophobicContact CD1-CD2 4.11Å; Y281-L805 HydrophobicContact CE1-CD1 4.38Å
282V96.6Very high95.7Very high7 Ų77.3 Ų7.34%0.0424%0.038CC..Hα-helixtrans-63.6-52-179.1176.10000109.5D280 L285 L286 L442 L523 V526 L527 Y625D280-V282 PolarHBondContact OD1-N 3.35Å; V282-L285 PolarHBondContact O-N 2.79Å; V282-L286 HydrophobicContact CG1-CD1 3.94Å; V282-L286 HydrophobicContact CG1-CG 4.29Å; V282-L286 WeakPolarHBondContact O-CG 3.41Å; V282-L286 PolarHBondContact O-N 3.04Å; V282-L442 HydrophobicContact CG1-CD2 4.14Å; V282-L523 HydrophobicContact CG1-CD1 4.13Å; V282-V526 HydrophobicContact CG2-CG1 3.56Å; V282-L527 HydrophobicContact CG1-CD2 4.03Å; V282-L527 HydrophobicContact CG2-CD2 3.8Å; V282-Y625 HydrophobicContact CG1-CE2 4.23Å; V282-Y625 HydrophobicContact CG2-CD2 3.91Å; V282-Y625 HydrophobicContact CG2-CE2 4.2Å
283T97Very high95.8Very high0 Ų07.4 Ų7.40%04%0.039CC..Hα-helixtrans-53.6-50.8-177.3-61.50000114.1D280 L285 L286 Y655 H659 P661 E777D280-T283 PolarHBondContact OD1-N 3.1Å; D280-T283 PolarHBondContact OD1-OG1 3.46Å; D280-T283 WeakPolarHBondContact OD2-CB 3.25Å; D280-T283 PolarHBondContact OD2-OG1 3.36Å; T283-L285 VanDerWaalsContact C-N 3.25Å; T283-L285 PolarHBondContact O-N 2.89Å; T283-L286 PolarHBondContact O-N 3.26Å; T283-Y655 HydrophobicContact CG2-CE2 4.35Å; T283-Y655 VanDerWaalsContact CG2-OH 3.25Å; T283-Y655 WeakPolarHBondContact CG2-OH 3.31Å; T283-H659 PolarHBondContact OG1-NE2 3.43Å; T283-P661 HydrophobicContact CG2-CB 3.94Å; T283-P661 HydrophobicContact CG2-CG 3.81Å; T283-P661 WeakPolarHBondContact OG1-CA 3.48Å; T283-E777 HydrophobicContact CG2-CG 3.49Å; T283-E777 VanDerWaalsContact CG2-CG 3.49Å
284P95.7Very high95.7Very high1 Ų17.6 Ų7.61%0.0064%0.04CC..Hα-helixtrans-70.8-16178.328.5-37.2000114.4D280 Y281 T774 L800 S802 L805D280-P284 VanDerWaalsContact O-CD 3.24Å; D280-P284 WeakPolarHBondContact O-CD 3.28Å; Y281-P284 VanDerWaalsContact O-CD 3.32Å; Y281-P284 WeakPolarHBondContact O-CD 3.45Å; Y281-P284 WeakPolarHBondContact O-CG 3.41Å; P284-T774 HydrophobicContact CB-CG2 3.86Å; P284-L800 HydrophobicContact CB-CD1 3.72Å; P284-S802 VanDerWaalsContact O-CA 3.24Å; P284-S802 WeakPolarHBondContact O-CA 3.42Å; P284-S802 WeakPolarHBondContact O-CB 3.39Å; P284-S802 PolarHBondContact O-N 2.76Å; P284-L805 HydrophobicContact CB-CD2 4.4Å; P284-L805 HydrophobicContact CG-CD2 4.11Å
285L95.2Very high95.5Very high0 Ų07.9 Ų7.90%04%0.042CC..Hα-helixtrans-87.4-9.8175.9-69.4171.3000113.3Y281 V282 T283 Q438 R519 A522 L523 V526 L563 L805Y281-L285 WeakPolarHBondContact O-CB 3.34Å; Y281-L285 VanDerWaalsContact O-CD1 3.31Å; Y281-L285 WeakPolarHBondContact O-CD1 3.5Å; Y281-L285 WeakPolarHBondContact O-CG 3.32Å; Y281-L285 PolarHBondContact O-N 3.41Å; V282-L285 PolarHBondContact O-N 2.79Å; T283-L285 VanDerWaalsContact C-N 3.25Å; T283-L285 PolarHBondContact O-N 2.89Å; L285-Q438 PolarHBondContact O-NE2 2.82Å; L285-R519 HydrophobicContact CD2-CG 4.16Å; L285-A522 HydrophobicContact CD1-CB 4.1Å; L285-A522 HydrophobicContact CD2-CB 4.28Å; L285-L523 HydrophobicContact CB-CB 4.28Å; L285-L523 HydrophobicContact CB-CD1 4.11Å; L285-L523 HydrophobicContact CD1-CB 4.36Å; L285-V526 HydrophobicContact CD1-CG2 4.29Å; L285-L563 HydrophobicContact CD1-CD2 4.26Å; L285-L805 HydrophobicContact CD2-CD2 4.48Å
286L94.3Very high95.4Very high7 Ų78.6 Ų8.64%0.0375%0.045CC..SBendtrans-90.9146.6177.6-67.4175.8000111.8V282 T283 P288 Q438 L442 L523 Y655 H659V282-L286 HydrophobicContact CG1-CD1 3.94Å; V282-L286 HydrophobicContact CG1-CG 4.29Å; V282-L286 WeakPolarHBondContact O-CG 3.41Å; V282-L286 PolarHBondContact O-N 3.04Å; T283-L286 PolarHBondContact O-N 3.26Å; L286-P288 WeakPolarHBondContact O-CD 3.28Å; L286-Q438 HydrophobicContact CD2-CB 4.1Å; L286-Q438 HydrophobicContact CD2-CG 4.3Å; L286-L442 HydrophobicContact CD1-CD1 4.17Å; L286-L442 HydrophobicContact CD1-CD2 4.35Å; L286-L442 HydrophobicContact CD2-CD1 3.86Å; L286-L442 HydrophobicContact CD2-CD2 4.34Å; L286-L442 HydrophobicContact CD2-CG 4.23Å; L286-L523 HydrophobicContact CD2-CD1 4.2Å; L286-L523 HydrophobicContact CD2-CD2 3.78Å; L286-Y655 HydrophobicContact CB-CD1 3.75Å; L286-Y655 HydrophobicContact CB-CE1 3.73Å; L286-Y655 HydrophobicContact CD1-CD1 4.14Å; L286-H659 HydrophobicContact CD1-CB 3.6Å; L286-H659 VanDerWaalsContact CD1-CD2 3.43Å; L286-H659 WeakPolarHBondContact CD1-CD2 3.44Å
287V91.3Very high95.1Very high16 Ų169.4 Ų9.410%0.0975%0.049CC..PPolyproline II helixtrans-79.3118.8171.4179.40000109.2L294 L434 Q438V287-L294 HydrophobicContact CG1-CD2 3.93Å; V287-L434 HydrophobicContact CG2-CD2 3.58Å; V287-L434 HydrophobicContact CG2-CG 4.17Å; V287-Q438 VanDerWaalsContact N-OE1 3.11Å
288P93.6Very high94.8Very high5 Ų511 Ų113%0.0326%0.059CC..PPolyproline II helixtrans-76.3154.3172.932.2-33000110.8L286 A293 L294 V654 Y655L286-P288 WeakPolarHBondContact O-CD 3.28Å; P288-A293 HydrophobicContact CB-CB 3.71Å; P288-A293 HydrophobicContact CG-CB 3.36Å; P288-L294 VanDerWaalsContact O-CD2 3.26Å; P288-L294 WeakPolarHBondContact O-CD2 3.46Å; P288-L294 WeakPolarHBondContact O-CG 3.01Å; P288-V654 HydrophobicContact CB-CG1 4Å; P288-Y655 HydrophobicContact CB-CE1 3.98Å
289M92.7Very high94.7Very high11 Ų1110.3 Ų10.35%0.0546%0.055CC..  trans-108.610.2-177.1-65.7-64.5-71.500113.7H338 I339 V654M289-H338 VanDerWaalsContact CB-CD2 3.5Å; M289-H338 WeakPolarHBondContact CB-CD2 3.25Å; M289-H338 CarbonylContact O-C 3.57Å; M289-H338 VanDerWaalsContact O-CA 3.25Å; M289-H338 WeakPolarHBondContact O-CA 3.24Å; M289-I339 HydrophobicContact CE-CG2 3.7Å; M289-I339 PolarHBondContact O-N 3.21Å; M289-V654 PolarHBondContact N-O 3.29Å
290T95.4Very high94.6Very high0 Ų010.7 Ų10.70%06%0.063CC..BIsolated β-bridgetrans-89.7149.1174.754.20000111.3E292 A293 L294 V337 Y653 V654 A779T290-E292 PolarHBondContact O-N 2.82Å; T290-A293 PolarHBondContact O-N 3.47Å; T290-A293 WeakPolarHBondContact OG1-CB 3.24Å; T290-L294 PolarHBondContact O-N 3.03Å; T290-V337 WeakPolarHBondContact CA-O 3.38Å; T290-Y653 HydrophobicContact CG2-CE1 4.33Å; T290-V654 HydrophobicContact CG2-CB 4.41Å; T290-V654 HydrophobicContact CG2-CG1 4.19Å; T290-V654 HydrophobicContact CG2-CG2 4.03Å; T290-A779 HydrophobicContact CG2-CB 3.98Å
291F97.1Very high94.6Very high3 Ų310.6 Ų10.61%0.0136%0.062CC..Hα-helixtrans-57.2-54-172.1-175.7-121.6000113.7A293 L294 V295 V334 V337 I339 V342 L414 C417 L418F291-A293 VanDerWaalsContact C-N 3.27Å; F291-A293 PolarHBondContact O-N 3.4Å; F291-L294 PolarHBondContact O-N 2.94Å; F291-V295 HydrophobicContact CD2-CG2 4.35Å; F291-V295 HydrophobicContact CE1-CG2 4.28Å; F291-V295 HydrophobicContact CE2-CG2 4Å; F291-V295 HydrophobicContact CZ-CG2 3.97Å; F291-V295 WeakPolarHBondContact O-CG2 3.32Å; F291-V295 PolarHBondContact O-N 2.88Å; F291-V334 WeakPolarHBondContact CB-O 3.25Å; F291-V334 HydrophobicContact CD1-CB 4.27Å; F291-V334 HydrophobicContact CD1-CG2 3.62Å; F291-V334 HydrophobicContact CE1-CG2 3.89Å; F291-V337 PolarHBondContact N-O 3.09Å; F291-I339 HydrophobicContact CD2-CD1 3.9Å; F291-V342 HydrophobicContact CB-CG2 3.77Å; F291-V342 HydrophobicContact CD1-CG1 4.48Å; F291-V342 HydrophobicContact CD2-CB 4.37Å; F291-V342 HydrophobicContact CD2-CG1 3.81Å; F291-V342 HydrophobicContact CD2-CG2 4.02Å; F291-V342 HydrophobicContact CE2-CG1 3.98Å; F291-V342 HydrophobicContact CG-CG1 4.07Å; F291-V342 HydrophobicContact CG-CG2 4Å; F291-V342 HydrophobicContact CZ-CG1 4.38Å; F291-L414 HydrophobicContact CE1-CD2 3.99Å; F291-C417 HydrophobicContact CZ-CB 4.07Å; F291-L418 HydrophobicContact CD2-CD1 4.5Å; F291-L418 HydrophobicContact CE2-CB 3.99Å; F291-L418 HydrophobicContact CE2-CD1 4.13Å; F291-L418 HydrophobicContact CZ-CB 4.42Å
292E97.6Very high94.5Very high4 Ų415.2 Ų15.22%0.0199%0.085CC..Hα-helixtrans-61.3-38.6-178.4172.2172.7-139.200111.9T290 V295 H296 I301 Y331 R335 Y775 R782T290-E292 PolarHBondContact O-N 2.82Å; E292-V295 PolarHBondContact O-N 3.3Å; E292-H296 PolarHBondContact O-N 3.12Å; E292-I301 HydrophobicContact CG-CD1 4.17Å; E292-Y331 VanDerWaalsContact CD-OH 3.31Å; E292-Y331 PolarHBondContact OE1-OH 3.48Å; E292-R335 HydrophobicContact CB-CB 3.85Å; E292-R335 VanDerWaalsContact CB-O 3.3Å; E292-R335 WeakPolarHBondContact CB-O 3.44Å; E292-R335 PolarHBondContact N-O 2.97Å; E292-Y775 VanDerWaalsContact CD-CE1 3.45Å; E292-Y775 HydrophobicContact CG-CD1 3.55Å; E292-Y775 HydrophobicContact CG-CE1 3.97Å; E292-Y775 HydrophobicContact CG-CG 3.86Å; E292-Y775 WeakPolarHBondContact OE1-CD1 3.34Å; E292-Y775 WeakPolarHBondContact OE1-CE1 3.43Å; E292-R782 IonicContact OE2-NH1 2.84Å; E292-R782 PolarHBondContact OE2-NH1 3.2Å
293A96.5Very high94.3Very high2 Ų216 Ų162%0.0179%0.088CC..Hα-helixtrans-69.5-36.5-179.700000112.3P288 T290 F291 H296 E297P288-A293 HydrophobicContact CB-CB 3.71Å; P288-A293 HydrophobicContact CG-CB 3.36Å; T290-A293 PolarHBondContact O-N 3.47Å; T290-A293 WeakPolarHBondContact OG1-CB 3.24Å; F291-A293 VanDerWaalsContact C-N 3.27Å; F291-A293 PolarHBondContact O-N 3.4Å; A293-H296 WeakPolarHBondContact O-CB 3.4Å; A293-H296 PolarHBondContact O-N 2.92Å; A293-E297 PolarHBondContact O-N 2.85Å
294L94.6Very high94.2Very high4 Ų416 Ų162%0.0219%0.089CC..Hα-helixtrans-71-36.6173.2-74.8166.9000112.7V287 P288 T290 F291 H296 E297 V298 I339 V421 M425V287-L294 HydrophobicContact CG1-CD2 3.93Å; P288-L294 VanDerWaalsContact O-CD2 3.26Å; P288-L294 WeakPolarHBondContact O-CD2 3.46Å; P288-L294 WeakPolarHBondContact O-CG 3.01Å; T290-L294 PolarHBondContact O-N 3.03Å; F291-L294 PolarHBondContact O-N 2.94Å; L294-H296 PolarHBondContact O-N 2.87Å; L294-E297 PolarHBondContact O-N 3.31Å; L294-V298 WeakPolarHBondContact O-CB 3.3Å; L294-V298 WeakPolarHBondContact O-CG2 3.48Å; L294-V298 PolarHBondContact O-N 3.43Å; L294-I339 HydrophobicContact CD1-CB 3.54Å; L294-I339 HydrophobicContact CD1-CD1 4Å; L294-I339 HydrophobicContact CD1-CG1 3.7Å; L294-I339 HydrophobicContact CD1-CG2 3.9Å; L294-V421 HydrophobicContact CB-CG1 3.85Å; L294-V421 HydrophobicContact CB-CG2 4.48Å; L294-V421 HydrophobicContact CD1-CG1 4.33Å; L294-M425 HydrophobicContact CD1-SD 4.19Å; L294-M425 HydrophobicContact CD2-SD 4.49Å
295V95.6Very high94.2Very high6 Ų617.7 Ų17.74%0.03610%0.097CC..Hα-helixtrans-57.7-40.8170.7169.60000110.1F291 E292 I299 G300 I301 V306 C417 V421F291-V295 HydrophobicContact CD2-CG2 4.35Å; F291-V295 HydrophobicContact CE1-CG2 4.28Å; F291-V295 HydrophobicContact CE2-CG2 4Å; F291-V295 HydrophobicContact CZ-CG2 3.97Å; F291-V295 WeakPolarHBondContact O-CG2 3.32Å; F291-V295 PolarHBondContact O-N 2.88Å; E292-V295 PolarHBondContact O-N 3.3Å; V295-I299 HydrophobicContact CG1-CB 4.46Å; V295-I299 HydrophobicContact CG1-CD1 4.27Å; V295-I299 WeakPolarHBondContact O-CA 3.12Å; V295-I299 WeakPolarHBondContact O-CB 3.45Å; V295-I299 PolarHBondContact O-N 3.29Å; V295-G300 PolarHBondContact O-N 3.2Å; V295-I301 HydrophobicContact CG1-CD1 4.14Å; V295-I301 HydrophobicContact CG1-CG1 4.15Å; V295-V306 HydrophobicContact CG1-CG2 3.87Å; V295-C417 HydrophobicContact CG2-CB 4.18Å; V295-V421 HydrophobicContact CG2-CG2 3.95Å
296H95.5Very high94.2Very high14 Ų1417.7 Ų17.77%0.06510%0.097CC..Hα-helixtrans-64-46.7175.7-168.3-144.4000113.5E292 A293 L294 G300 I301 Y775 L800 T801E292-H296 PolarHBondContact O-N 3.12Å; A293-H296 WeakPolarHBondContact O-CB 3.4Å; A293-H296 PolarHBondContact O-N 2.92Å; L294-H296 PolarHBondContact O-N 2.87Å; H296-G300 VanDerWaalsContact O-CA 3.3Å; H296-G300 WeakPolarHBondContact O-CA 3.46Å; H296-G300 PolarHBondContact O-N 3.26Å; H296-I301 HydrophobicContact CB-CD1 3.88Å; H296-I301 HydrophobicContact CB-CG1 4.13Å; H296-I301 PolarHBondContact CD2-N 3.06Å; H296-Y775 HydrophobicContact CB-CD2 3.68Å; H296-Y775 HydrophobicContact CB-CE2 4.23Å; H296-Y775 AromaticContact CG-CD2 3.57Å; H296-Y775 AromaticContact CG-CE2 3.9Å; H296-Y775 AromaticContact ND1-CD2 3.53Å; H296-L800 PolarHBondContact CE1-O 3.45Å; H296-T801 VanDerWaalsContact CE1-CG2 3.45Å; H296-T801 WeakPolarHBondContact CE1-CG2 3.26Å; H296-T801 WeakPolarHBondContact ND1-CG2 3.24Å
297E90.1Very high94.2Very high17 Ų1720.5 Ų20.58%0.07911%0.109CC..Hα-helixtrans-68-35.4-178.5-71.5-73.7152.500112.7A293 L294 R519 T801 S802 R803A293-E297 PolarHBondContact O-N 2.85Å; L294-E297 PolarHBondContact O-N 3.31Å; E297-R519 IonicContact OE2-NH2 3.47Å; E297-R519 PolarHBondContact OE2-NH2 2.88Å; E297-T801 HydrophobicContact CG-CG2 4.43Å; E297-T801 WeakPolarHBondContact OE1-CA 3.19Å; E297-T801 WeakPolarHBondContact OE1-CB 3.44Å; E297-S802 PolarHBondContact OE1-N 3.34Å; E297-S802 PolarHBondContact OE2-OG 3Å; E297-S802 VanDerWaalsContact OE2-OG 3.12Å; E297-R803 PolarHBondContact O-NH1 3.13Å
298V89.2Confident94.3Very high35 Ų3520 Ų2021%0.21211%0.106CC..Hα-helixtrans-92.1-49.2-174.5175.10000113L294 V421 A424L294-V298 WeakPolarHBondContact O-CB 3.3Å; L294-V298 WeakPolarHBondContact O-CG2 3.48Å; L294-V298 PolarHBondContact O-N 3.43Å; V298-V421 HydrophobicContact CB-CG2 4.3Å; V298-V421 HydrophobicContact CG2-CG2 4.48Å; V298-A424 HydrophobicContact CB-CB 4.35Å; V298-A424 HydrophobicContact CG1-CB 3.33Å; V298-A424 HydrophobicContact CG2-CB 4.06Å
299I92.4Very high94.1Very high40 Ų4022 Ų2221%0.20512%0.119CC..THydrogen-bonded Turntrans-100.2-36.8-171.9-49.7-179.2000110.6V295 V306 L308 C417 Q420 V421V295-I299 HydrophobicContact CG1-CB 4.46Å; V295-I299 HydrophobicContact CG1-CD1 4.27Å; V295-I299 WeakPolarHBondContact O-CA 3.12Å; V295-I299 WeakPolarHBondContact O-CB 3.45Å; V295-I299 PolarHBondContact O-N 3.29Å; I299-V306 HydrophobicContact CG2-CG1 3.92Å; I299-L308 HydrophobicContact CD1-CD2 4.02Å; I299-L308 HydrophobicContact CG2-CD2 4.4Å; I299-C417 HydrophobicContact CD1-CB 4.16Å; I299-Q420 HydrophobicContact CD1-CB 3.81Å; I299-Q420 HydrophobicContact CD1-CG 4.48Å; I299-Q420 HydrophobicContact CG1-CB 4.21Å; I299-V421 HydrophobicContact CD1-CG2 4.48Å
300G93.6Very high93.7Very high26 Ų2625.9 Ų25.927%0.26815%0.145SC..  trans92.6144.8-171.600000112.6V295 H296V295-G300 PolarHBondContact O-N 3.2Å; H296-G300 VanDerWaalsContact O-CA 3.3Å; H296-G300 WeakPolarHBondContact O-CA 3.46Å; H296-G300 PolarHBondContact O-N 3.26Å
301I96Very high93.2Very high7 Ų734.6 Ų34.64%0.03619%0.186CC..  trans-134.1105.2178.5-58.3175.4000106.5E292 V295 H296 V306 L323 Y775E292-I301 HydrophobicContact CG-CD1 4.17Å; V295-I301 HydrophobicContact CG1-CD1 4.14Å; V295-I301 HydrophobicContact CG1-CG1 4.15Å; H296-I301 HydrophobicContact CB-CD1 3.88Å; H296-I301 HydrophobicContact CB-CG1 4.13Å; H296-I301 PolarHBondContact CD2-N 3.06Å; I301-V306 HydrophobicContact CB-CG2 4.5Å; I301-V306 HydrophobicContact CD1-CG2 4.45Å; I301-V306 HydrophobicContact CG1-CG2 3.71Å; I301-L323 HydrophobicContact CD1-CD1 3.97Å; I301-L323 HydrophobicContact CG1-CD1 4.4Å; I301-L323 HydrophobicContact CG2-CD1 4.4Å; I301-Y775 HydrophobicContact CB-CE2 4.01Å; I301-Y775 HydrophobicContact CD1-CD2 4.09Å; I301-Y775 HydrophobicContact CD1-CE2 3.66Å; I301-Y775 HydrophobicContact CG1-CE2 4.37Å; I301-Y775 HydrophobicContact CG2-CE2 4.15Å; I301-Y775 WeakPolarHBondContact CG2-OH 3.35Å
302E93.8Very high92.4Very high115 Ų11535.8 Ų35.854%0.53719%0.194SC..BIsolated β-bridgetrans-103.6115.5-179.6-70.8-176.8-141.500109.6K37 G304 Q305K37-E302 HydrophobicContact CD-CB 4.05Å; K37-E302 WeakPolarHBondContact CD-OE2 3.34Å; K37-E302 WeakPolarHBondContact CE-OE2 3.45Å; K37-E302 IonicContact NZ-OE1 3.77Å; K37-E302 IonicContact NZ-OE2 2.8Å; K37-E302 PolarHBondContact NZ-OE2 3.13Å; E302-G304 PolarHBondContact O-N 2.78Å; E302-Q305 PolarHBondContact N-O 3.12Å; E302-Q305 WeakPolarHBondContact O-CB 3.06Å; E302-Q305 PolarHBondContact O-N 2.88Å
303L93.9Very high91.6Very high23 Ų2337.5 Ų37.512%0.1221%0.209CC..THydrogen-bonded Turntrans5140-179.7-68.8170.1000113.9K37 A38 R41 I137 L139 T145 N147 Q305K37-L303 HydrophobicContact CB-CD1 3.69Å; A38-L303 HydrophobicContact CB-CD1 3.84Å; A38-L303 VanDerWaalsContact N-CD1 3.29Å; R41-L303 HydrophobicContact CG-CB 4.45Å; I137-L303 HydrophobicContact CD1-CD2 4.24Å; L139-L303 VanDerWaalsContact CD2-C 3.45Å; L139-L303 HydrophobicContact CD2-CB 4.47Å; L139-L303 HydrophobicContact CD2-CD2 4.32Å; T145-L303 HydrophobicContact CG2-CD2 3.86Å; N147-L303 HydrophobicContact CB-CD2 4.04Å; L303-Q305 VanDerWaalsContact C-N 3.3Å
304G94Very high90.8Very high1 Ų142 Ų421%0.0123%0.233CC..THydrogen-bonded Turntrans78.711.417900000113.7E302 L323E302-G304 PolarHBondContact O-N 2.78Å; G304-L323 PolarHBondContact O-N 3Å
305Q95Very high89.9Confident36 Ų3652 Ų5217%0.16828%0.279CS..EExtended strand (participates in β ladder)trans-114.4134177.7-173173.814.800111E302 L303 Q321 I322E302-Q305 PolarHBondContact N-O 3.12Å; E302-Q305 WeakPolarHBondContact O-CB 3.06Å; E302-Q305 PolarHBondContact O-N 2.88Å; L303-Q305 VanDerWaalsContact C-N 3.3Å; Q305-Q321 WeakPolarHBondContact CA-O 3.2Å; Q305-I322 HydrophobicContact CB-CG1 4.33Å; Q305-I322 HydrophobicContact CG-CG1 4.23Å
306V96.2Very high89.1Confident0 Ų053.2 Ų53.20%029%0.288CS..EExtended strand (participates in β ladder)trans-102.7134.9170.1174.20000108.6V295 I299 I301 L308 K320 Q321 L323 F413V295-V306 HydrophobicContact CG1-CG2 3.87Å; I299-V306 HydrophobicContact CG2-CG1 3.92Å; I301-V306 HydrophobicContact CB-CG2 4.5Å; I301-V306 HydrophobicContact CD1-CG2 4.45Å; I301-V306 HydrophobicContact CG1-CG2 3.71Å; V306-L308 HydrophobicContact CG1-CD2 4.47Å; V306-K320 WeakPolarHBondContact O-CA 3.15Å; V306-Q321 PolarHBondContact N-O 2.96Å; V306-Q321 PolarHBondContact O-N 3.27Å; V306-L323 HydrophobicContact CG2-CD1 3.65Å; V306-L323 HydrophobicContact CG2-CD2 4.43Å; V306-L323 HydrophobicContact CG2-CG 4.07Å; V306-F413 HydrophobicContact CB-CE1 4.42Å; V306-F413 HydrophobicContact CB-CZ 3.84Å; V306-F413 HydrophobicContact CG1-CE1 4.49Å; V306-F413 HydrophobicContact CG1-CZ 3.74Å
307E94.6Very high88.5Confident65 Ų6553.1 Ų53.130%0.30429%0.289SS..EExtended strand (participates in β ladder)trans-117.4113.2172.3-55.2-166176.500108.5K37 Q319 K320K37-E307 IonicContact NZ-OE1 3.81Å; E307-Q319 CarbonylContact C-O 3.38Å; E307-Q319 WeakPolarHBondContact CA-O 3.26Å; E307-K320 HydrophobicContact CB-CG 4.29Å; E307-K320 HydrophobicContact CG-CB 4.39Å; E307-K320 HydrophobicContact CG-CD 3.9Å; E307-K320 HydrophobicContact CG-CG 3.87Å; E307-K320 WeakPolarHBondContact OE1-CD 3.38Å; E307-K320 WeakPolarHBondContact OE1-CE 3.47Å; E307-K320 IonicContact OE1-NZ 3.9Å; E307-K320 PolarHBondContact OE1-NZ 3.35Å; E307-K320 WeakPolarHBondContact OE2-CE 3.31Å; E307-K320 IonicContact OE2-NZ 2.63Å; E307-K320 PolarHBondContact OE2-NZ 3.18Å
308L93.3Very high88.3Confident5 Ų553.1 Ų53.13%0.02629%0.29CS..  trans-78.7152.4176.6-70174.2000110.9I299 V306 C312 Q319 F413 A416 Q420I299-L308 HydrophobicContact CD1-CD2 4.02Å; I299-L308 HydrophobicContact CG2-CD2 4.4Å; V306-L308 HydrophobicContact CG1-CD2 4.47Å; L308-C312 HydrophobicContact CB-CB 4.36Å; L308-Q319 PolarHBondContact N-O 3.5Å; L308-Q319 WeakPolarHBondContact O-CG 3.33Å; L308-F413 HydrophobicContact CD1-CD2 3.65Å; L308-F413 HydrophobicContact CD1-CE2 3.41Å; L308-F413 VanDerWaalsContact CD1-CE2 3.41Å; L308-F413 HydrophobicContact CD1-CZ 4.22Å; L308-F413 HydrophobicContact CG-CD2 4.47Å; L308-F413 HydrophobicContact CG-CE2 3.74Å; L308-F413 HydrophobicContact CG-CZ 4.24Å; L308-A416 HydrophobicContact CD1-CB 3.86Å; L308-Q420 HydrophobicContact CD2-CG 4.47Å
309P89.2Confident88.4Confident47 Ų4755.7 Ų55.731%0.30530%0.3SS..  trans-53.6146168.6-23.633.8000111.4E311 C312P309-E311 PolarHBondContact O-N 2.91Å; P309-E311 VanDerWaalsContact O-N 3.16Å; P309-C312 PolarHBondContact O-N 2.78Å
310P84.6Confident88.4Confident93 Ų9358.3 Ų58.360%0.60431%0.31SS*.G310 helixtrans-61.2-27-176.525.7-34.6000113.1C312 A313P310-C312 PolarHBondContact O-N 2.8Å; P310-A313 PolarHBondContact O-N 2.8Å
311E85.1Confident88.4Confident183 Ų18358.5 Ų58.586%0.85530%0.304SS*.G310 helixtrans-64.1-25.5177.1-64.1164.5-161.100113P309P309-E311 PolarHBondContact O-N 2.91Å; P309-E311 VanDerWaalsContact O-N 3.16Å
312C80.2Confident88.3Confident29 Ų2960.9 Ų60.920%0.19632%0.316CS..G310 helixtrans-89.2-8.3179.2-55.80000113L308 P309 P310 T317 Q420L308-C312 HydrophobicContact CB-CB 4.36Å; P309-C312 PolarHBondContact O-N 2.78Å; P310-C312 PolarHBondContact O-N 2.8Å; C312-T317 PolarHBondContact O-OG1 2.87Å; C312-Q420 PolarHBondContact SG-NE2 2.86Å
313A79.9Confident88.4Confident39 Ų3955.7 Ų55.732%0.32229%0.292SS..  trans-90.9126.9-174.900000111.1P310 Q319P310-A313 PolarHBondContact O-N 2.8Å; A313-Q319 HydrophobicContact CB-CB 3.91Å; A313-Q319 HydrophobicContact CB-CG 4.31Å
314D80.8Confident88.3Confident97 Ų9755.8 Ų55.852%0.51929%0.292SS..  trans-133.5-177.1173.872.96.4000110.6S316 T317D314-S316 PolarHBondContact O-N 2.65Å; D314-S316 VanDerWaalsContact O-N 3.07Å; D314-S316 VanDerWaalsContact OD1-CA 3.3Å; D314-S316 WeakPolarHBondContact OD1-CA 3.2Å; D314-S316 WeakPolarHBondContact OD1-CB 3.5Å; D314-S316 PolarHBondContact OD1-N 2.88Å; D314-S316 PolarHBondContact OD1-OG 2.67Å; D314-S316 PolarHBondContact OD2-OG 2.88Å; D314-T317 PolarHBondContact N-O 3.28Å; D314-T317 PolarHBondContact N-OG1 3.17Å; D314-T317 PolarHBondContact O-N 3.39Å; D314-T317 WeakPolarHBondContact OD1-CB 3.32Å; D314-T317 PolarHBondContact OD1-N 3.21Å; D314-T317 PolarHBondContact OD1-OG1 3.11Å
315E75.1Confident88.3Confident214 Ų21456 Ų56100%129%0.294SS*.SBendtrans-59.2-21.9178.2-70.5-160.1154.400113.5
316S77.9Confident88.2Confident32 Ų3257.5 Ų57.522%0.22431%0.312CS..SBendtrans-99.8-21.7-176.680.70000114.1D314D314-S316 PolarHBondContact O-N 2.65Å; D314-S316 VanDerWaalsContact O-N 3.07Å; D314-S316 VanDerWaalsContact OD1-CA 3.3Å; D314-S316 WeakPolarHBondContact OD1-CA 3.2Å; D314-S316 WeakPolarHBondContact OD1-CB 3.5Å; D314-S316 PolarHBondContact OD1-N 2.88Å; D314-S316 PolarHBondContact OD1-OG 2.67Å; D314-S316 PolarHBondContact OD2-OG 2.88Å
317T84.4Confident88Confident11 Ų1164.5 Ų64.57%0.06734%0.343CS..SBendtrans-113.9108.5-175.649.30000109.1C312 D314 Q319C312-T317 PolarHBondContact O-OG1 2.87Å; D314-T317 PolarHBondContact N-O 3.28Å; D314-T317 PolarHBondContact N-OG1 3.17Å; D314-T317 PolarHBondContact O-N 3.39Å; D314-T317 WeakPolarHBondContact OD1-CB 3.32Å; D314-T317 PolarHBondContact OD1-N 3.21Å; D314-T317 PolarHBondContact OD1-OG1 3.11Å; T317-Q319 PolarHBondContact O-N 3.48Å
318P86.3Confident88Confident18 Ų1862.3 Ų62.312%0.11733%0.333CS..  trans-68136178.131.9-35000109.3K320 R409 F413P318-K320 PolarHBondContact O-N 3.39Å; P318-R409 VanDerWaalsContact CB-NH2 3.28Å; P318-R409 HydrophobicContact CG-CG 4.08Å; P318-F413 HydrophobicContact CG-CB 4.33Å; P318-F413 HydrophobicContact CG-CD2 3.79Å; P318-F413 HydrophobicContact CG-CG 4.32Å; P318-F413 WeakPolarHBondContact O-CD2 3.09Å
319Q89.7Confident88Confident88 Ų8868 Ų6841%0.41136%0.359SS..SBendtrans-59.7-34.5173.9-170.1-174.810.100111.8E307 L308 A313 T317E307-Q319 CarbonylContact C-O 3.38Å; E307-Q319 WeakPolarHBondContact CA-O 3.26Å; L308-Q319 PolarHBondContact N-O 3.5Å; L308-Q319 WeakPolarHBondContact O-CG 3.33Å; A313-Q319 HydrophobicContact CB-CB 3.91Å; A313-Q319 HydrophobicContact CB-CG 4.31Å; T317-Q319 PolarHBondContact O-N 3.48Å
320K92.3Very high88.4Confident95 Ų9567.2 Ų67.241%0.41335%0.351SS..EExtended strand (participates in β ladder)trans-126.4137-178.4-50.2-170.4176.7-154.60111.2V306 E307 P318V306-K320 WeakPolarHBondContact O-CA 3.15Å; E307-K320 HydrophobicContact CB-CG 4.29Å; E307-K320 HydrophobicContact CG-CB 4.39Å; E307-K320 HydrophobicContact CG-CD 3.9Å; E307-K320 HydrophobicContact CG-CG 3.87Å; E307-K320 WeakPolarHBondContact OE1-CD 3.38Å; E307-K320 WeakPolarHBondContact OE1-CE 3.47Å; E307-K320 IonicContact OE1-NZ 3.9Å; E307-K320 PolarHBondContact OE1-NZ 3.35Å; E307-K320 WeakPolarHBondContact OE2-CE 3.31Å; E307-K320 IonicContact OE2-NZ 2.63Å; E307-K320 PolarHBondContact OE2-NZ 3.18Å; P318-K320 PolarHBondContact O-N 3.39Å
321Q94.3Very high89Confident31 Ų3163.1 Ų63.115%0.14532%0.323CS..EExtended strand (participates in β ladder)trans-142.1127.3179.2-173.457.157.900110.6Q305 V306 L328 F413Q305-Q321 WeakPolarHBondContact CA-O 3.2Å; V306-Q321 PolarHBondContact N-O 2.96Å; V306-Q321 PolarHBondContact O-N 3.27Å; Q321-L328 HydrophobicContact CG-CD1 4.08Å; Q321-F413 HydrophobicContact CB-CD1 3.91Å; Q321-F413 HydrophobicContact CB-CD2 3.9Å; Q321-F413 HydrophobicContact CB-CE1 3.55Å; Q321-F413 HydrophobicContact CB-CE2 3.52Å; Q321-F413 HydrophobicContact CB-CG 4.09Å; Q321-F413 HydrophobicContact CB-CZ 3.36Å; Q321-F413 HydrophobicContact CG-CD1 3.88Å; Q321-F413 HydrophobicContact CG-CE1 3.87Å; Q321-F413 HydrophobicContact CG-CE2 4.5Å; Q321-F413 HydrophobicContact CG-CG 4.23Å; Q321-F413 HydrophobicContact CG-CZ 4.21Å
322I94.1Very high89.6Confident56 Ų5659.3 Ų59.329%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-79125.5167.5-61.4173000107.2Q305 D324 L328Q305-I322 HydrophobicContact CB-CG1 4.33Å; Q305-I322 HydrophobicContact CG-CG1 4.23Å; I322-D324 PolarHBondContact O-N 3.01Å; I322-L328 WeakPolarHBondContact O-CD1 3.47Å
323L95Very high90.3Very high6 Ų662.6 Ų62.63%0.03132%0.319CS..  trans-82.9107.9175.9-58.5-175.9000108.6I301 G304 V306 L328 Y331 F413I301-L323 HydrophobicContact CD1-CD1 3.97Å; I301-L323 HydrophobicContact CG1-CD1 4.4Å; I301-L323 HydrophobicContact CG2-CD1 4.4Å; G304-L323 PolarHBondContact O-N 3Å; V306-L323 HydrophobicContact CG2-CD1 3.65Å; V306-L323 HydrophobicContact CG2-CD2 4.43Å; V306-L323 HydrophobicContact CG2-CG 4.07Å; L323-L328 HydrophobicContact CD2-CD1 4.42Å; L323-Y331 HydrophobicContact CB-CE1 3.91Å; L323-Y331 HydrophobicContact CB-CE2 4.09Å; L323-Y331 HydrophobicContact CD1-CE2 3.85Å; L323-Y331 HydrophobicContact CD2-CD2 4.08Å; L323-Y331 HydrophobicContact CD2-CE2 4.07Å; L323-Y331 HydrophobicContact CD2-CG 4.5Å; L323-Y331 HydrophobicContact CG-CE2 4.23Å; L323-F413 HydrophobicContact CD2-CE1 4.24Å
324D92.4Very high91.2Very high25 Ų2560.7 Ų60.713%0.13430%0.304CS..  trans-140.1110.7-178.4178.8-7.7000108.6I322 A326 K327 L328I322-D324 PolarHBondContact O-N 3.01Å; D324-A326 PolarHBondContact O-N 2.93Å; D324-A326 VanDerWaalsContact O-N 3.15Å; D324-A326 WeakPolarHBondContact OD1-CB 3.3Å; D324-A326 PolarHBondContact OD1-N 3.42Å; D324-K327 HydrophobicContact CB-CB 4.44Å; D324-K327 HydrophobicContact CB-CD 4.48Å; D324-K327 PolarHBondContact O-N 3.24Å; D324-K327 WeakPolarHBondContact OD2-CD 3.22Å; D324-K327 WeakPolarHBondContact OD2-CE 3.36Å; D324-K327 IonicContact OD2-NZ 3.65Å; D324-K327 PolarHBondContact OD2-NZ 3.35Å; D324-L328 PolarHBondContact O-N 3.08Å
325S94.9Very high91.9Very high5 Ų557.1 Ų57.14%0.03528%0.283CS..THydrogen-bonded Turntrans-68.5-12.8-175.4-60.40000113.6D140 K327 Y331 R335D140-S325 VanDerWaalsContact CG-OG 3.3Å; D140-S325 WeakPolarHBondContact OD1-CB 3.25Å; D140-S325 PolarHBondContact OD1-N 2.88Å; D140-S325 VanDerWaalsContact OD1-N 3.16Å; D140-S325 PolarHBondContact OD1-OG 3.35Å; D140-S325 PolarHBondContact OD2-OG 3.45Å; S325-K327 VanDerWaalsContact C-N 3.33Å; S325-Y331 WeakPolarHBondContact OG-CE1 3.35Å; S325-R335 PolarHBondContact OG-NH1 3.06Å
326A91.5Very high93Very high68 Ų6848.9 Ų48.956%0.56225%0.246SC*.THydrogen-bonded Turntrans-76.7-23.1171.200000112.4T141 D324T141-A326 HydrophobicContact CG2-CB 4.2Å; D324-A326 PolarHBondContact O-N 2.93Å; D324-A326 VanDerWaalsContact O-N 3.15Å; D324-A326 WeakPolarHBondContact OD1-CB 3.3Å; D324-A326 PolarHBondContact OD1-N 3.42Å
327K91.6Very high93.8Very high147 Ų14748.8 Ų48.864%0.63924%0.243SC*.THydrogen-bonded Turntrans-108.7-37.7-176-63.9178.6-173.3122.20112.7D324 S325D324-K327 HydrophobicContact CB-CB 4.44Å; D324-K327 HydrophobicContact CB-CD 4.48Å; D324-K327 PolarHBondContact O-N 3.24Å; D324-K327 WeakPolarHBondContact OD2-CD 3.22Å; D324-K327 WeakPolarHBondContact OD2-CE 3.36Å; D324-K327 IonicContact OD2-NZ 3.65Å; D324-K327 PolarHBondContact OD2-NZ 3.35Å; S325-K327 VanDerWaalsContact C-N 3.33Å
328L95.1Very high94.3Very high19 Ų1949 Ų4910%0.09924%0.244CC..  trans-102100.4-175.9-58.6-177.3000109.9Q321 I322 L323 D324 Y331 K332 E410Q321-L328 HydrophobicContact CG-CD1 4.08Å; I322-L328 WeakPolarHBondContact O-CD1 3.47Å; L323-L328 HydrophobicContact CD2-CD1 4.42Å; D324-L328 PolarHBondContact O-N 3.08Å; L328-Y331 HydrophobicContact CB-CD1 4.15Å; L328-Y331 HydrophobicContact CB-CG 4.35Å; L328-Y331 HydrophobicContact CD1-CD1 4.48Å; L328-K332 WeakPolarHBondContact O-CB 3.45Å; L328-K332 PolarHBondContact O-N 3.49Å; L328-K332 VanDerWaalsContact O-N 3.14Å; L328-E410 VanDerWaalsContact CA-OE1 3.23Å; L328-E410 WeakPolarHBondContact CA-OE1 3.25Å; L328-E410 HydrophobicContact CB-CG 4.42Å; L328-E410 VanDerWaalsContact CB-OE1 3.29Å; L328-E410 WeakPolarHBondContact CB-OE1 3.25Å; L328-E410 HydrophobicContact CD2-CB 4.39Å; L328-E410 HydrophobicContact CD2-CG 4.02Å
329H93.7Very high94.6Very high124 Ų12448.6 Ų48.657%0.57424%0.24SC*.Hα-helixtrans-74.5-42.7-173.4-76.668.2000112.4K332 D333 E410H329-K332 PolarHBondContact O-N 3.04Å; H329-D333 PolarHBondContact O-N 3.25Å; H329-E410 PolarHBondContact N-OE1 3.34Å; H329-E410 PolarHBondContact N-OE2 3.31Å
330Y96.9Very high94.6Very high32 Ų3247.9 Ų47.913%0.12525%0.245CC..Hα-helixtrans-67.2-42.4177.7-61.3-58.1000110.9K332 D333 V334 W349 K407 E410 L411Y330-K332 PolarHBondContact O-N 2.81Å; Y330-D333 PolarHBondContact O-N 3.24Å; Y330-D333 VanDerWaalsContact O-N 3.13Å; Y330-V334 WeakPolarHBondContact O-CG2 3.41Å; Y330-V334 PolarHBondContact O-N 2.84Å; Y330-W349 HydrophobicContact CD1-CB 4.3Å; Y330-W349 AromaticContact CD1-CD2 3.53Å; Y330-W349 HydrophobicContact CD1-CD2 3.53Å; Y330-W349 AromaticContact CD1-CE3 3.25Å; Y330-W349 HydrophobicContact CD1-CE3 3.25Å; Y330-W349 HydrophobicContact CD1-CG 4.01Å; Y330-W349 HydrophobicContact CD1-CH2 4.35Å; Y330-W349 AromaticContact CD1-CZ3 3.69Å; Y330-W349 HydrophobicContact CD1-CZ3 3.69Å; Y330-W349 HydrophobicContact CE1-CB 3.87Å; Y330-W349 AromaticContact CE1-CD2 3.83Å; Y330-W349 HydrophobicContact CE1-CD2 3.83Å; Y330-W349 AromaticContact CE1-CE3 3.98Å; Y330-W349 HydrophobicContact CE1-CE3 3.98Å; Y330-W349 AromaticContact CE1-CG 3.8Å; Y330-W349 HydrophobicContact CE1-CG 3.8Å; Y330-W349 AromaticContact CG-CE3 3.86Å; Y330-W349 HydrophobicContact CG-CE3 3.86Å; Y330-W349 HydrophobicContact CG-CZ3 4.13Å; Y330-K407 HydrophobicContact CE2-CB 3.93Å; Y330-K407 HydrophobicContact CE2-CD 4.47Å; Y330-K407 HydrophobicContact CE2-CG 4.05Å; Y330-E410 WeakPolarHBondContact CA-OE1 3.13Å; Y330-E410 WeakPolarHBondContact CB-OE1 3.31Å; Y330-E410 HydrophobicContact CD2-CB 4.4Å; Y330-E410 HydrophobicContact CD2-CG 4.08Å; Y330-E410 PolarHBondContact N-OE1 3.37Å; Y330-L411 HydrophobicContact CD1-CD2 4.09Å; Y330-L411 HydrophobicContact CD2-CD1 4.36Å; Y330-L411 HydrophobicContact CD2-CD2 3.58Å; Y330-L411 HydrophobicContact CD2-CG 3.58Å; Y330-L411 HydrophobicContact CE1-CD2 4.35Å; Y330-L411 HydrophobicContact CE2-CD1 3.81Å; Y330-L411 HydrophobicContact CE2-CD2 3.86Å; Y330-L411 HydrophobicContact CE2-CG 3.52Å; Y330-L411 HydrophobicContact CG-CD2 3.68Å; Y330-L411 HydrophobicContact CG-CG 4.22Å
331Y97.6Very high94.7Very high6 Ų647.6 Ų47.62%0.02424%0.242CC..Hα-helixtrans-57.3-48.9175.3162.6-106.6000111.3E292 L323 S325 L328 D333 V334 R335 E410 L414E292-Y331 VanDerWaalsContact CD-OH 3.31Å; E292-Y331 PolarHBondContact OE1-OH 3.48Å; L323-Y331 HydrophobicContact CB-CE1 3.91Å; L323-Y331 HydrophobicContact CB-CE2 4.09Å; L323-Y331 HydrophobicContact CD1-CE2 3.85Å; L323-Y331 HydrophobicContact CD2-CD2 4.08Å; L323-Y331 HydrophobicContact CD2-CE2 4.07Å; L323-Y331 HydrophobicContact CD2-CG 4.5Å; L323-Y331 HydrophobicContact CG-CE2 4.23Å; S325-Y331 WeakPolarHBondContact OG-CE1 3.35Å; L328-Y331 HydrophobicContact CB-CD1 4.15Å; L328-Y331 HydrophobicContact CB-CG 4.35Å; L328-Y331 HydrophobicContact CD1-CD1 4.48Å; Y331-D333 PolarHBondContact O-N 2.68Å; Y331-V334 PolarHBondContact O-N 3.36Å; Y331-V334 VanDerWaalsContact O-N 3.13Å; Y331-R335 HydrophobicContact CD2-CB 4.17Å; Y331-R335 HydrophobicContact CE2-CB 3.75Å; Y331-R335 WeakPolarHBondContact O-CB 3.24Å; Y331-R335 PolarHBondContact O-N 2.78Å; Y331-E410 PolarHBondContact N-OE1 3.48Å; Y331-L414 HydrophobicContact CD2-CD2 4.32Å
332K97.1Very high94.7Very high104 Ų10446.1 Ų46.145%0.45224%0.235SC..Hα-helixtrans-52.9-39.4176.4177-179.1173.6-176.10112.3L328 H329 Y330L328-K332 WeakPolarHBondContact O-CB 3.45Å; L328-K332 PolarHBondContact O-N 3.49Å; L328-K332 VanDerWaalsContact O-N 3.14Å; H329-K332 PolarHBondContact O-N 3.04Å; Y330-K332 PolarHBondContact O-N 2.81Å
333D96.6Very high94.8Very high97 Ų9748 Ų4852%0.51924%0.242SC..Hα-helixtrans-80.6-23.8-176.4-70.6-18.1000113.3H329 Y330 Y331 V337 W349H329-D333 PolarHBondContact O-N 3.25Å; Y330-D333 PolarHBondContact O-N 3.24Å; Y330-D333 VanDerWaalsContact O-N 3.13Å; Y331-D333 PolarHBondContact O-N 2.68Å; D333-V337 VanDerWaalsContact O-CG2 3.24Å; D333-V337 WeakPolarHBondContact O-CG2 3.16Å; D333-W349 HydrophobicContact CB-CH2 3.66Å; D333-W349 HydrophobicContact CB-CZ2 4.15Å
334V97.2Very high94.7Very high0 Ų050.1 Ų50.10%026%0.258CS..Hα-helixtrans-102-21.1179.2-60.80000115.2F291 Y330 Y331 D336 V337 V342 L345 L346 W349 L414F291-V334 WeakPolarHBondContact CB-O 3.25Å; F291-V334 HydrophobicContact CD1-CB 4.27Å; F291-V334 HydrophobicContact CD1-CG2 3.62Å; F291-V334 HydrophobicContact CE1-CG2 3.89Å; Y330-V334 WeakPolarHBondContact O-CG2 3.41Å; Y330-V334 PolarHBondContact O-N 2.84Å; Y331-V334 PolarHBondContact O-N 3.36Å; Y331-V334 VanDerWaalsContact O-N 3.13Å; V334-D336 PolarHBondContact O-N 3.06Å; V334-D336 VanDerWaalsContact O-N 3.11Å; V334-V337 WeakPolarHBondContact O-CB 3.19Å; V334-V337 PolarHBondContact O-N 2.82Å; V334-V342 HydrophobicContact CB-CG1 4.44Å; V334-L345 HydrophobicContact CG1-CD1 4.43Å; V334-L346 HydrophobicContact CG1-CD2 4.27Å; V334-W349 HydrophobicContact CG1-CH2 3.42Å; V334-W349 VanDerWaalsContact CG1-CH2 3.42Å; V334-W349 HydrophobicContact CG1-CZ3 3.34Å; V334-L414 HydrophobicContact CG2-CD1 4.36Å
335R97Very high94.9Very high22 Ų2250.6 Ų50.68%0.08326%0.26CS..THydrogen-bonded Turntrans-52.8-40.4-169.567.1-175.2-174174.82.6113.6D140 D142 E292 S325 Y331 R782D140-R335 IonicContact OD1-NH1 3.18Å; D140-R335 IonicContact OD2-CZ 2.98Å; D140-R335 IonicContact OD2-NH1 2.96Å; D140-R335 PolarHBondContact OD2-NH1 3.15Å; D142-R335 IonicContact OD1-NH1 3.34Å; E292-R335 HydrophobicContact CB-CB 3.85Å; E292-R335 VanDerWaalsContact CB-O 3.3Å; E292-R335 WeakPolarHBondContact CB-O 3.44Å; E292-R335 PolarHBondContact N-O 2.97Å; S325-R335 PolarHBondContact OG-NH1 3.06Å; Y331-R335 HydrophobicContact CD2-CB 4.17Å; Y331-R335 HydrophobicContact CE2-CB 3.75Å; Y331-R335 WeakPolarHBondContact O-CB 3.24Å; Y331-R335 PolarHBondContact O-N 2.78Å; R335-R782 VanDerWaalsContact NH1-NH2 3.16Å
336D96.6Very high95Very high41 Ų4150.3 Ų50.322%0.21926%0.258CS..THydrogen-bonded Turntrans-99.38.1-177.8-52.6-55.1000112.8V334 A779 R782V334-D336 PolarHBondContact O-N 3.06Å; V334-D336 VanDerWaalsContact O-N 3.11Å; D336-A779 HydrophobicContact CB-CB 4.35Å; D336-A779 WeakPolarHBondContact OD1-CA 3.43Å; D336-R782 WeakPolarHBondContact OD1-CD 3.34Å; D336-R782 IonicContact OD1-NH1 3.47Å; D336-R782 PolarHBondContact OD1-NH1 3.23Å; D336-R782 WeakPolarHBondContact OD2-CD 3.28Å; D336-R782 IonicContact OD2-NH1 3.71Å
337V95.3Very high95.2Very high29 Ų2950.4 Ų50.418%0.17625%0.249CC..SBendtrans-88.5144.7-179.1178.50000110.5T290 F291 D333 V334 R341 V342 L345T290-V337 WeakPolarHBondContact CA-O 3.38Å; F291-V337 PolarHBondContact N-O 3.09Å; D333-V337 VanDerWaalsContact O-CG2 3.24Å; D333-V337 WeakPolarHBondContact O-CG2 3.16Å; V334-V337 WeakPolarHBondContact O-CB 3.19Å; V334-V337 PolarHBondContact O-N 2.82Å; V337-R341 HydrophobicContact CG1-CB 3.84Å; V337-R341 HydrophobicContact CG1-CG 4.11Å; V337-V342 HydrophobicContact CB-CG2 4.48Å; V337-V342 HydrophobicContact CG1-CG2 4.37Å; V337-L345 HydrophobicContact CG1-CD1 4.06Å; V337-L345 HydrophobicContact CG2-CD1 4.49Å
338H94.2Very high95.4Very high16 Ų1646.7 Ų46.77%0.07424%0.236CC..BIsolated β-bridgetrans-62.6135176.4-172.4-85.6000111M289 S340 R341 V644 Y653M289-H338 VanDerWaalsContact CB-CD2 3.5Å; M289-H338 WeakPolarHBondContact CB-CD2 3.25Å; M289-H338 CarbonylContact O-C 3.57Å; M289-H338 VanDerWaalsContact O-CA 3.25Å; M289-H338 WeakPolarHBondContact O-CA 3.24Å; H338-S340 PolarHBondContact CE1-OG 3.46Å; H338-S340 PolarHBondContact ND1-N 2.84Å; H338-S340 PolarHBondContact ND1-OG 2.72Å; H338-S340 PolarHBondContact O-N 3.47Å; H338-S340 VanDerWaalsContact O-N 3.08Å; H338-R341 PolarHBondContact O-N 2.91Å; H338-V644 HydrophobicContact CB-CG1 3.82Å; H338-Y653 WeakPolarHBondContact CA-OH 3.43Å; H338-Y653 HydrophobicContact CB-CE1 4.34Å; H338-Y653 HydrophobicContact CB-CE2 3.52Å; H338-Y653 WeakPolarHBondContact CB-OH 3.38Å; H338-Y653 PolarHBondContact N-OH 3.27Å
339I93.3Very high95.5Very high9 Ų947.7 Ų47.75%0.04624%0.238CC..Hα-helixtrans-50.6-40.5-171.9-171.160.8000114.1M289 F291 L294 R341 V342 L418 V421 L422 M425M289-I339 HydrophobicContact CE-CG2 3.7Å; M289-I339 PolarHBondContact O-N 3.21Å; F291-I339 HydrophobicContact CD2-CD1 3.9Å; L294-I339 HydrophobicContact CD1-CB 3.54Å; L294-I339 HydrophobicContact CD1-CD1 4Å; L294-I339 HydrophobicContact CD1-CG1 3.7Å; L294-I339 HydrophobicContact CD1-CG2 3.9Å; I339-R341 PolarHBondContact O-N 2.8Å; I339-R341 VanDerWaalsContact O-N 3.16Å; I339-V342 PolarHBondContact O-N 2.95Å; I339-L418 HydrophobicContact CD1-CD1 3.61Å; I339-V421 HydrophobicContact CD1-CG1 3.87Å; I339-V421 HydrophobicContact CG1-CG1 4.42Å; I339-L422 HydrophobicContact CG1-CD2 4.43Å; I339-M425 HydrophobicContact CG1-SD 4.18Å; I339-M425 HydrophobicContact CG2-CE 4.45Å
340S90.6Very high95.5Very high74 Ų7449.1 Ų49.152%0.51724%0.239SC..Hα-helixtrans-63.9-21.4-179.365.80000114.4H338 V644H338-S340 PolarHBondContact CE1-OG 3.46Å; H338-S340 PolarHBondContact ND1-N 2.84Å; H338-S340 PolarHBondContact ND1-OG 2.72Å; H338-S340 PolarHBondContact O-N 3.47Å; H338-S340 VanDerWaalsContact O-N 3.08Å; S340-V644 VanDerWaalsContact OG-CG1 3.29Å; S340-V644 WeakPolarHBondContact OG-CG1 3.4Å
341R92.7Very high95.4Very high88 Ų8849 Ų4933%0.33225%0.248SC..Hα-helixtrans-91.2-23.4178.2-174.362.3-175.317411.4112.9V337 H338 I339 H343 S344 L345 D645V337-R341 HydrophobicContact CG1-CB 3.84Å; V337-R341 HydrophobicContact CG1-CG 4.11Å; H338-R341 PolarHBondContact O-N 2.91Å; I339-R341 PolarHBondContact O-N 2.8Å; I339-R341 VanDerWaalsContact O-N 3.16Å; R341-H343 PolarHBondContact O-N 3.31Å; R341-S344 PolarHBondContact O-N 3.15Å; R341-L345 HydrophobicContact CG-CD1 3.92Å; R341-L345 HydrophobicContact CG-CG 4.08Å; R341-L345 PolarHBondContact O-N 2.97Å; R341-D645 VanDerWaalsContact CD-OD1 3.25Å; R341-D645 WeakPolarHBondContact CD-OD1 3.01Å; R341-D645 IonicContact CZ-OD1 3.77Å; R341-D645 IonicContact NE-OD1 3.27Å; R341-D645 IonicContact NH1-OD1 3.73Å; R341-D645 PolarHBondContact NH1-OD1 3.45Å
342V95.4Very high95.3Very high0 Ų054 Ų540%027%0.269CS..Hα-helixtrans-59.3-45.2-172.3-179.20000111.5F291 V334 V337 I339 S344 L345 L346 L418F291-V342 HydrophobicContact CB-CG2 3.77Å; F291-V342 HydrophobicContact CD1-CG1 4.48Å; F291-V342 HydrophobicContact CD2-CB 4.37Å; F291-V342 HydrophobicContact CD2-CG1 3.81Å; F291-V342 HydrophobicContact CD2-CG2 4.02Å; F291-V342 HydrophobicContact CE2-CG1 3.98Å; F291-V342 HydrophobicContact CG-CG1 4.07Å; F291-V342 HydrophobicContact CG-CG2 4Å; F291-V342 HydrophobicContact CZ-CG1 4.38Å; V334-V342 HydrophobicContact CB-CG1 4.44Å; V337-V342 HydrophobicContact CB-CG2 4.48Å; V337-V342 HydrophobicContact CG1-CG2 4.37Å; I339-V342 PolarHBondContact O-N 2.95Å; V342-S344 VanDerWaalsContact C-N 3.35Å; V342-S344 PolarHBondContact O-N 2.95Å; V342-L345 PolarHBondContact O-N 3.3Å; V342-L346 HydrophobicContact CG1-CD1 3.78Å; V342-L346 HydrophobicContact CG1-CG 4.04Å; V342-L346 WeakPolarHBondContact O-CG 3.2Å; V342-L346 PolarHBondContact O-N 3.46Å; V342-L418 HydrophobicContact CB-CD1 4.3Å; V342-L418 HydrophobicContact CG1-CD1 4.19Å; V342-L418 HydrophobicContact CG1-CD2 4.3Å
343H95.2Very high95.1Very high95 Ų9550 Ų5044%0.4425%0.253SS..Hα-helixtrans-54.8-49.1179.2179.5-108000112.5R341 L345 L346 L347 L418R341-H343 PolarHBondContact O-N 3.31Å; H343-L345 PolarHBondContact O-N 3.45Å; H343-L346 PolarHBondContact O-N 3.3Å; H343-L347 WeakPolarHBondContact CE1-CD1 3.37Å; H343-L347 WeakPolarHBondContact NE2-CD1 3.31Å; H343-L347 WeakPolarHBondContact O-CG 3.35Å; H343-L347 PolarHBondContact O-N 3.2Å; H343-L418 HydrophobicContact CB-CD2 3.82Å
344S94.7Very high94.9Very high52 Ų5249.5 Ų49.536%0.36425%0.248SC..Hα-helixtrans-62.5-42.2179.6175.50000111.9R341 V342 D348R341-S344 PolarHBondContact O-N 3.15Å; V342-S344 VanDerWaalsContact C-N 3.35Å; V342-S344 PolarHBondContact O-N 2.95Å; S344-D348 WeakPolarHBondContact O-CB 3.13Å; S344-D348 PolarHBondContact O-N 3.4Å
345L95.7Very high94.6Very high34 Ų3454.5 Ų54.518%0.17827%0.274CS..Hα-helixtrans-64.6-46.8178.6-69.5172.6000112.1V334 V337 R341 V342 H343 L347 D348 W349V334-L345 HydrophobicContact CG1-CD1 4.43Å; V337-L345 HydrophobicContact CG1-CD1 4.06Å; V337-L345 HydrophobicContact CG2-CD1 4.49Å; R341-L345 HydrophobicContact CG-CD1 3.92Å; R341-L345 HydrophobicContact CG-CG 4.08Å; R341-L345 PolarHBondContact O-N 2.97Å; V342-L345 PolarHBondContact O-N 3.3Å; H343-L345 PolarHBondContact O-N 3.45Å; L345-L347 VanDerWaalsContact C-N 3.34Å; L345-L347 PolarHBondContact O-N 3.45Å; L345-D348 PolarHBondContact O-N 2.95Å; L345-W349 HydrophobicContact CB-CH2 4.4Å; L345-W349 HydrophobicContact CB-CZ2 4.36Å; L345-W349 VanDerWaalsContact O-CG 3.24Å; L345-W349 PolarHBondContact O-N 3.44Å
346L96.9Very high94.3Very high0 Ų055.9 Ų55.90%029%0.287CS..Hα-helixtrans-64.6-38.7-179.3-66.7-178.5000111.9V334 V342 H343 W349 R350 L411 L414 L415 L418V334-L346 HydrophobicContact CG1-CD2 4.27Å; V342-L346 HydrophobicContact CG1-CD1 3.78Å; V342-L346 HydrophobicContact CG1-CG 4.04Å; V342-L346 WeakPolarHBondContact O-CG 3.2Å; V342-L346 PolarHBondContact O-N 3.46Å; H343-L346 PolarHBondContact O-N 3.3Å; L346-W349 HydrophobicContact CD2-CE3 3.9Å; L346-W349 HydrophobicContact CD2-CZ3 3.98Å; L346-R350 WeakPolarHBondContact O-CB 3.46Å; L346-R350 PolarHBondContact O-N 2.95Å; L346-L411 HydrophobicContact CD2-CD2 4.05Å; L346-L414 HydrophobicContact CD1-CB 4.08Å; L346-L414 HydrophobicContact CD2-CB 4.04Å; L346-L414 HydrophobicContact CD2-CD1 4.17Å; L346-L415 HydrophobicContact CB-CD2 3.74Å; L346-L415 HydrophobicContact CB-CG 4.2Å; L346-L415 HydrophobicContact CD1-CD2 3.99Å; L346-L415 HydrophobicContact CD1-CG 4.18Å; L346-L418 HydrophobicContact CD1-CB 4.34Å; L346-L418 HydrophobicContact CD1-CD2 4.02Å
347L95Very high93.9Very high69 Ų6957.8 Ų57.836%0.36129%0.291SS..Hα-helixtrans-68.3-41.7175.8-72.7-172.6000112.9H343 L345 W349 R350 G351H343-L347 WeakPolarHBondContact CE1-CD1 3.37Å; H343-L347 WeakPolarHBondContact NE2-CD1 3.31Å; H343-L347 WeakPolarHBondContact O-CG 3.35Å; H343-L347 PolarHBondContact O-N 3.2Å; L345-L347 VanDerWaalsContact C-N 3.34Å; L345-L347 PolarHBondContact O-N 3.45Å; L347-W349 VanDerWaalsContact C-N 3.34Å; L347-W349 PolarHBondContact O-N 3.12Å; L347-R350 WeakPolarHBondContact O-CB 3.27Å; L347-R350 PolarHBondContact O-N 2.89Å; L347-G351 PolarHBondContact O-N 3.4Å
348D96.7Very high93.7Very high70 Ų7057.9 Ų57.937%0.37430%0.299SS..Hα-helixtrans-59.1-46.4174.7172.560.8000111.1S344 L345 R350 G351 K352S344-D348 WeakPolarHBondContact O-CB 3.13Å; S344-D348 PolarHBondContact O-N 3.4Å; L345-D348 PolarHBondContact O-N 2.95Å; D348-R350 VanDerWaalsContact C-N 3.34Å; D348-R350 PolarHBondContact O-N 3.26Å; D348-G351 PolarHBondContact O-N 2.91Å; D348-K352 VanDerWaalsContact CG-NZ 3.34Å; D348-K352 WeakPolarHBondContact O-CG 3.37Å; D348-K352 PolarHBondContact O-N 2.99Å; D348-K352 WeakPolarHBondContact OD1-CE 3.43Å; D348-K352 IonicContact OD1-NZ 2.72Å; D348-K352 PolarHBondContact OD1-NZ 3.49Å; D348-K352 WeakPolarHBondContact OD2-CE 3.36Å; D348-K352 IonicContact OD2-NZ 2.88Å; D348-K352 PolarHBondContact OD2-NZ 2.81Å
349W96.8Very high93.3Very high39 Ų3961.9 Ų61.915%0.14832%0.321CS..Hα-helixtrans-66.1-35.1176.4-62.7-20000113.1Y330 D333 V334 L345 L346 L347 L353 L411Y330-W349 HydrophobicContact CD1-CB 4.3Å; Y330-W349 AromaticContact CD1-CD2 3.53Å; Y330-W349 HydrophobicContact CD1-CD2 3.53Å; Y330-W349 AromaticContact CD1-CE3 3.25Å; Y330-W349 HydrophobicContact CD1-CE3 3.25Å; Y330-W349 HydrophobicContact CD1-CG 4.01Å; Y330-W349 HydrophobicContact CD1-CH2 4.35Å; Y330-W349 AromaticContact CD1-CZ3 3.69Å; Y330-W349 HydrophobicContact CD1-CZ3 3.69Å; Y330-W349 HydrophobicContact CE1-CB 3.87Å; Y330-W349 AromaticContact CE1-CD2 3.83Å; Y330-W349 HydrophobicContact CE1-CD2 3.83Å; Y330-W349 AromaticContact CE1-CE3 3.98Å; Y330-W349 HydrophobicContact CE1-CE3 3.98Å; Y330-W349 AromaticContact CE1-CG 3.8Å; Y330-W349 HydrophobicContact CE1-CG 3.8Å; Y330-W349 AromaticContact CG-CE3 3.86Å; Y330-W349 HydrophobicContact CG-CE3 3.86Å; Y330-W349 HydrophobicContact CG-CZ3 4.13Å; D333-W349 HydrophobicContact CB-CH2 3.66Å; D333-W349 HydrophobicContact CB-CZ2 4.15Å; V334-W349 HydrophobicContact CG1-CH2 3.42Å; V334-W349 VanDerWaalsContact CG1-CH2 3.42Å; V334-W349 HydrophobicContact CG1-CZ3 3.34Å; L345-W349 HydrophobicContact CB-CH2 4.4Å; L345-W349 HydrophobicContact CB-CZ2 4.36Å; L345-W349 VanDerWaalsContact O-CG 3.24Å; L345-W349 PolarHBondContact O-N 3.44Å; L346-W349 HydrophobicContact CD2-CE3 3.9Å; L346-W349 HydrophobicContact CD2-CZ3 3.98Å; L347-W349 VanDerWaalsContact C-N 3.34Å; L347-W349 PolarHBondContact O-N 3.12Å; W349-L353 VanDerWaalsContact O-CB 3.28Å; W349-L353 WeakPolarHBondContact O-CB 3.25Å; W349-L353 PolarHBondContact O-N 3.44Å; W349-L411 HydrophobicContact CB-CD1 4.21Å; W349-L411 HydrophobicContact CB-CD2 3.96Å; W349-L411 HydrophobicContact CE3-CD2 4.01Å
350R94.2Very high93Very high154 Ų15462.3 Ų62.358%0.58132%0.323SS*.Hα-helixtrans-62.8-44.2173.1-175-175.7-177.8-166.72.7111.4L346 L347 D348 L353 Q354L346-R350 WeakPolarHBondContact O-CB 3.46Å; L346-R350 PolarHBondContact O-N 2.95Å; L347-R350 WeakPolarHBondContact O-CB 3.27Å; L347-R350 PolarHBondContact O-N 2.89Å; D348-R350 VanDerWaalsContact C-N 3.34Å; D348-R350 PolarHBondContact O-N 3.26Å; R350-L353 PolarHBondContact O-N 3.3Å; R350-Q354 WeakPolarHBondContact O-CB 3.41Å; R350-Q354 PolarHBondContact O-N 2.93Å
351G95.3Very high92.7Very high31 Ų3163.4 Ų63.432%0.3232%0.32SS..Hα-helixtrans-59.5-53.6175.400000111.7L347 D348 L353 Q354 D355L347-G351 PolarHBondContact O-N 3.4Å; D348-G351 PolarHBondContact O-N 2.91Å; G351-L353 VanDerWaalsContact C-N 3.27Å; G351-L353 PolarHBondContact O-N 2.88Å; G351-Q354 WeakPolarHBondContact O-CA 3.08Å; G351-Q354 WeakPolarHBondContact O-CB 3.45Å; G351-Q354 PolarHBondContact O-N 3.29Å; G351-D355 PolarHBondContact O-N 3.03Å
352K95.1Very high92.4Very high109 Ų10966 Ų6647%0.47434%0.338SS..Hα-helixtrans-57-38.5177.3-71.2169.6178.3165.80113.3D348 S356D348-K352 VanDerWaalsContact CG-NZ 3.34Å; D348-K352 WeakPolarHBondContact O-CG 3.37Å; D348-K352 PolarHBondContact O-N 2.99Å; D348-K352 WeakPolarHBondContact OD1-CE 3.43Å; D348-K352 IonicContact OD1-NZ 2.72Å; D348-K352 PolarHBondContact OD1-NZ 3.49Å; D348-K352 WeakPolarHBondContact OD2-CE 3.36Å; D348-K352 IonicContact OD2-NZ 2.88Å; D348-K352 PolarHBondContact OD2-NZ 2.81Å; K352-S356 WeakPolarHBondContact O-CB 3.48Å; K352-S356 PolarHBondContact O-N 2.84Å; K352-S356 PolarHBondContact O-OG 2.96Å
353L92.7Very high91.7Very high20 Ų2070.6 Ų70.611%0.10536%0.359CS..Hα-helixtrans-69.4-36176.8-171.167.7000111.8W349 R350 G351 R357 F404 K407 R408 L411W349-L353 VanDerWaalsContact O-CB 3.28Å; W349-L353 WeakPolarHBondContact O-CB 3.25Å; W349-L353 PolarHBondContact O-N 3.44Å; R350-L353 PolarHBondContact O-N 3.3Å; G351-L353 VanDerWaalsContact C-N 3.27Å; G351-L353 PolarHBondContact O-N 2.88Å; L353-R357 WeakPolarHBondContact O-CB 3.43Å; L353-R357 PolarHBondContact O-N 3.18Å; L353-F404 HydrophobicContact CD1-CD1 3.64Å; L353-F404 HydrophobicContact CD1-CE1 4.07Å; L353-K407 HydrophobicContact CD1-CB 4.04Å; L353-K407 HydrophobicContact CD1-CD 4.21Å; L353-K407 HydrophobicContact CD2-CB 4.15Å; L353-R408 HydrophobicContact CD2-CB 3.98Å; L353-L411 HydrophobicContact CB-CD1 4.35Å; L353-L411 HydrophobicContact CD2-CD1 3.78Å
354Q91.6Very high91Very high87 Ų8768 Ų6841%0.40735%0.348SS..Hα-helixtrans-67.4-41.3176.4-179.657.44800111.6R350 G351 R357 G358R350-Q354 WeakPolarHBondContact O-CB 3.41Å; R350-Q354 PolarHBondContact O-N 2.93Å; G351-Q354 WeakPolarHBondContact O-CA 3.08Å; G351-Q354 WeakPolarHBondContact O-CB 3.45Å; G351-Q354 PolarHBondContact O-N 3.29Å; Q354-R357 WeakPolarHBondContact O-CB 3.43Å; Q354-R357 PolarHBondContact O-N 2.72Å; Q354-R357 VanDerWaalsContact OE1-CZ 3.24Å; Q354-G358 PolarHBondContact O-N 3.14Å
355D92.6Very high90.3Very high105 Ų10570.5 Ų70.556%0.56136%0.361SS*.Hα-helixtrans-63.5-48.6175-60.3-25.4000110.8G351 R357 G358 D359G351-D355 PolarHBondContact O-N 3.03Å; D355-R357 PolarHBondContact O-N 3.24Å; D355-G358 WeakPolarHBondContact O-CA 3.28Å; D355-G358 PolarHBondContact O-N 3.22Å; D355-D359 PolarHBondContact O-N 3.4Å
356S90Very high89.4Confident51 Ų5171.9 Ų71.936%0.35737%0.374SS..Hα-helixtrans-60.1-30176.9-58.40000112.7K352 L360K352-S356 WeakPolarHBondContact O-CB 3.48Å; K352-S356 PolarHBondContact O-N 2.84Å; K352-S356 PolarHBondContact O-OG 2.96Å; S356-L360 PolarHBondContact O-N 2.77Å
357R88.6Confident88Confident81 Ų8176.5 Ų76.531%0.30640%0.395SS..Hα-helixtrans-70.1-45.1172.6-168.8-172.889.2-150.8-1.3111.1L353 Q354 D355 D359 L360 E361L353-R357 WeakPolarHBondContact O-CB 3.43Å; L353-R357 PolarHBondContact O-N 3.18Å; Q354-R357 WeakPolarHBondContact O-CB 3.43Å; Q354-R357 PolarHBondContact O-N 2.72Å; Q354-R357 VanDerWaalsContact OE1-CZ 3.24Å; D355-R357 PolarHBondContact O-N 3.24Å; R357-D359 VanDerWaalsContact C-N 3.32Å; R357-D359 PolarHBondContact O-N 2.75Å; R357-L360 PolarHBondContact O-N 2.86Å; R357-E361 WeakPolarHBondContact CG-OE1 3.46Å; R357-E361 IonicContact CZ-OE1 2.66Å; R357-E361 IonicContact NE-OE1 3.6Å; R357-E361 PolarHBondContact NE-OE1 3.39Å; R357-E361 IonicContact NH2-OE1 2.85Å; R357-E361 WeakPolarHBondContact O-CG 3.28Å; R357-E361 PolarHBondContact O-N 2.8Å
358G89.9Confident86.6Confident32 Ų3280.3 Ų80.333%0.3341%0.409SS..Hα-helixtrans-58.3-43.4176.500000112.3Q354 D355 L360 E361 M362Q354-G358 PolarHBondContact O-N 3.14Å; D355-G358 WeakPolarHBondContact O-CA 3.28Å; D355-G358 PolarHBondContact O-N 3.22Å; G358-L360 VanDerWaalsContact C-N 3.35Å; G358-L360 PolarHBondContact O-N 2.86Å; G358-E361 PolarHBondContact O-N 2.88Å; G358-M362 PolarHBondContact O-N 3.02Å
359D86.9Confident84.7Confident100 Ų10079.9 Ų79.954%0.53541%0.411SS..Hα-helixtrans-61.1-43.1175.4-70.1-17.9000112.1D355 R357 M362 Q363D355-D359 PolarHBondContact O-N 3.4Å; R357-D359 VanDerWaalsContact C-N 3.32Å; R357-D359 PolarHBondContact O-N 2.75Å; D359-M362 PolarHBondContact O-N 3.27Å; D359-Q363 VanDerWaalsContact O-CG 3.3Å; D359-Q363 WeakPolarHBondContact O-CG 3.43Å; D359-Q363 PolarHBondContact O-N 2.99Å
360L85.5Confident82.6Confident17 Ų1782.6 Ų82.69%0.08943%0.432CS..Hα-helixtrans-66.1-41.5177.4-173.568.4000111.6S356 R357 G358 M362 Q363 L364 R400 F404S356-L360 PolarHBondContact O-N 2.77Å; R357-L360 PolarHBondContact O-N 2.86Å; G358-L360 VanDerWaalsContact C-N 3.35Å; G358-L360 PolarHBondContact O-N 2.86Å; L360-M362 VanDerWaalsContact C-N 3.34Å; L360-Q363 PolarHBondContact O-N 2.81Å; L360-L364 HydrophobicContact CG-CD1 4.28Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 3.26Å; L360-R400 HydrophobicContact CD1-CB 4.39Å; L360-R400 HydrophobicContact CD2-CB 4.49Å; L360-F404 HydrophobicContact CD2-CD2 3.85Å; L360-F404 HydrophobicContact CD2-CE2 3.8Å
361E84.9Confident80.6Confident97 Ų9779.5 Ų79.545%0.45343%0.43SS..Hα-helixtrans-59.4-45.4174.9-74.6171.8-163.400110.8R357 G358 Q363 L364 V365R357-E361 WeakPolarHBondContact CG-OE1 3.46Å; R357-E361 IonicContact CZ-OE1 2.66Å; R357-E361 IonicContact NE-OE1 3.6Å; R357-E361 PolarHBondContact NE-OE1 3.39Å; R357-E361 IonicContact NH2-OE1 2.85Å; R357-E361 WeakPolarHBondContact O-CG 3.28Å; R357-E361 PolarHBondContact O-N 2.8Å; G358-E361 PolarHBondContact O-N 2.88Å; E361-Q363 PolarHBondContact O-N 2.83Å; E361-L364 PolarHBondContact O-N 2.75Å; E361-V365 WeakPolarHBondContact O-CG2 3.43Å; E361-V365 PolarHBondContact O-N 3.45Å
362M85.9Confident78.3Confident144 Ų14485 Ų8571%0.70945%0.448SS*.Hα-helixtrans-59.8-44.7174.9-175.7-178.3178.200111.9G358 D359 L360 L364 V365 S366G358-M362 PolarHBondContact O-N 3.02Å; D359-M362 PolarHBondContact O-N 3.27Å; L360-M362 VanDerWaalsContact C-N 3.34Å; M362-L364 VanDerWaalsContact C-N 3.34Å; M362-L364 PolarHBondContact O-N 2.93Å; M362-V365 PolarHBondContact O-N 3.48Å; M362-S366 PolarHBondContact O-N 2.92Å
363Q82.4Confident76Confident96 Ų9688.1 Ų88.145%0.44946%0.464SS..Hα-helixtrans-60.7-42.2175.9-72.517521.900111.9D359 L360 E361 S366 Q367D359-Q363 VanDerWaalsContact O-CG 3.3Å; D359-Q363 WeakPolarHBondContact O-CG 3.43Å; D359-Q363 PolarHBondContact O-N 2.99Å; L360-Q363 PolarHBondContact O-N 2.81Å; E361-Q363 PolarHBondContact O-N 2.83Å; Q363-S366 PolarHBondContact O-N 2.88Å; Q363-S366 PolarHBondContact O-OG 3.08Å; Q363-Q367 WeakPolarHBondContact O-CG 3.33Å; Q363-Q367 PolarHBondContact O-N 3.41Å
364L79.6Confident73.8Confident41 Ų4195.6 Ų95.622%0.21550%0.495CS..Hα-helixtrans-66.8-38.3178.4-70170.3000112.4L360 E361 M362 Q367 K368 I397L360-L364 HydrophobicContact CG-CD1 4.28Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.42Å; L360-L364 PolarHBondContact O-N 3.26Å; E361-L364 PolarHBondContact O-N 2.75Å; M362-L364 VanDerWaalsContact C-N 3.34Å; M362-L364 PolarHBondContact O-N 2.93Å; L364-Q367 PolarHBondContact O-N 2.9Å; L364-K368 PolarHBondContact O-N 3.33Å; L364-I397 HydrophobicContact CD2-CD1 4.44Å; L364-I397 HydrophobicContact CD2-CG1 3.86Å
365V80.2Confident71.2Confident103 Ų10399 Ų9962%0.62451%0.511SS*.Hα-helixtrans-65.8-44.3174.8173.10000110.8E361 M362 Q367 K368 S369E361-V365 WeakPolarHBondContact O-CG2 3.43Å; E361-V365 PolarHBondContact O-N 3.45Å; M362-V365 PolarHBondContact O-N 3.48Å; V365-Q367 VanDerWaalsContact C-N 3.3Å; V365-Q367 PolarHBondContact O-N 2.87Å; V365-K368 PolarHBondContact O-N 3.26Å; V365-K368 VanDerWaalsContact O-N 3.16Å; V365-S369 PolarHBondContact O-N 2.93Å
366S77Confident68.6Low64 Ų64103 Ų10345%0.44853%0.526SS..Hα-helixtrans-60.6-38.3177.374.70000112.5M362 Q363 K368 S369 T370M362-S366 PolarHBondContact O-N 2.92Å; Q363-S366 PolarHBondContact O-N 2.88Å; Q363-S366 PolarHBondContact O-OG 3.08Å; S366-K368 PolarHBondContact O-N 3.2Å; S366-S369 PolarHBondContact O-N 3.16Å; S366-S369 PolarHBondContact O-OG 3.3Å; S366-T370 PolarHBondContact O-N 2.69Å; S366-T370 PolarHBondContact O-OG1 2.9Å
367Q68.1Low66.2Low97 Ų97105.3 Ų105.345%0.45354%0.542SS..Hα-helixtrans-64.9-38.5175.7-77.7-176.7-10.700112.9Q363 L364 V365 S369 T370Q363-Q367 WeakPolarHBondContact O-CG 3.33Å; Q363-Q367 PolarHBondContact O-N 3.41Å; L364-Q367 PolarHBondContact O-N 2.9Å; V365-Q367 VanDerWaalsContact C-N 3.3Å; V365-Q367 PolarHBondContact O-N 2.87Å; Q367-S369 PolarHBondContact O-N 3.45Å; Q367-T370 PolarHBondContact O-N 3.25Å
368K64.8Low63.8Low148 Ų148106.9 Ų106.964%0.64357%0.565SS**Hα-helixtrans-63.4-40177.1-74.5-177.9-179.4179.60112.3L364 V365 S366 T370 V371 Q372L364-K368 PolarHBondContact O-N 3.33Å; V365-K368 PolarHBondContact O-N 3.26Å; V365-K368 VanDerWaalsContact O-N 3.16Å; S366-K368 PolarHBondContact O-N 3.2Å; K368-T370 VanDerWaalsContact C-N 3.29Å; K368-T370 PolarHBondContact O-N 3.13Å; K368-V371 PolarHBondContact O-N 3.23Å; K368-V371 VanDerWaalsContact O-N 3.15Å; K368-Q372 PolarHBondContact O-N 2.8Å
369S57Low61.6Low61 Ų61111 Ų11143%0.42759%0.586SS.*Hα-helixtrans-62.8-34.6179.871.10000112.9V365 S366 Q367 V371 Q372 H373V365-S369 PolarHBondContact O-N 2.93Å; S366-S369 PolarHBondContact O-N 3.16Å; S366-S369 PolarHBondContact O-OG 3.3Å; Q367-S369 PolarHBondContact O-N 3.45Å; S369-V371 VanDerWaalsContact C-N 3.25Å; S369-V371 PolarHBondContact O-N 3.43Å; S369-Q372 PolarHBondContact O-N 2.87Å; S369-H373 PolarHBondContact O-N 3.48Å
370T52.7Low59.3Low97 Ų97113.8 Ų113.860%0.59560%0.601SS**Hα-helixtrans-67.9-26.4178-50.30000112.2S366 Q367 K368S366-T370 PolarHBondContact O-N 2.69Å; S366-T370 PolarHBondContact O-OG1 2.9Å; Q367-T370 PolarHBondContact O-N 3.25Å; K368-T370 VanDerWaalsContact C-N 3.29Å; K368-T370 PolarHBondContact O-N 3.13Å
371V51.5Low57.1Low88 Ų88120.5 Ų120.553%0.53364%0.636SS.*Hα-helixtrans-82.3-35.9179.1-179.40000111.7K368 S369 H373 K374K368-V371 PolarHBondContact O-N 3.23Å; K368-V371 VanDerWaalsContact O-N 3.15Å; S369-V371 VanDerWaalsContact C-N 3.25Å; S369-V371 PolarHBondContact O-N 3.43Å; V371-H373 PolarHBondContact O-N 3.36Å; V371-K374 PolarHBondContact O-N 2.91Å
372Q46.5Very low55Low147 Ų147122.3 Ų122.369%0.68765%0.648SS**Hα-helixtrans-67.9-33.1-179.2-72-176.21.700112.8K368 S369 K374 Q375K368-Q372 PolarHBondContact O-N 2.8Å; S369-Q372 PolarHBondContact O-N 2.87Å; Q372-K374 PolarHBondContact O-N 3.12Å; Q372-K374 VanDerWaalsContact O-N 3.13Å; Q372-Q375 PolarHBondContact O-N 3.42Å
373H47.7Very low53.1Low175 Ų175123.7 Ų123.781%0.8165%0.652SS**THydrogen-bonded Turntrans-69.8-6.1176.9-85.2-68000115.1S369 V371S369-H373 PolarHBondContact O-N 3.48Å; V371-H373 PolarHBondContact O-N 3.36Å
374K45.6Very low51.3Low176 Ų176123.9 Ų123.977%0.76566%0.66SS**THydrogen-bonded Turntrans-98.31.8177.5-82.2-176.3174.4-179.70115.1V371 Q372V371-K374 PolarHBondContact O-N 2.91Å; Q372-K374 PolarHBondContact O-N 3.12Å; Q372-K374 VanDerWaalsContact O-N 3.13Å
375Q38.7Very low49.7Very low158 Ų158126.5 Ų126.574%0.73868%0.678SS**  trans-9818.1-173.5-73.9-167.5-11.400116.6Q372 S377Q372-Q375 PolarHBondContact O-N 3.42Å; Q375-S377 PolarHBondContact O-N 2.92Å
376H37.7Very low48.2Very low191 Ų191124.4 Ų124.488%0.88467%0.668SS**  trans-96.875.9162.8-76.6-58.1000110.8
377S40.3Very low47Very low98 Ų98125.2 Ų125.269%0.68567%0.67SS**SBendtrans-170112.2154.421.40000111.9Q375Q375-S377 PolarHBondContact O-N 2.92Å
378S38.2Very low46.4Very low114 Ų114126 Ų12680%0.79768%0.677SS**  trans66.4113148.7-44.80000119
379P42Very low46.1Very low118 Ų118123.9 Ų123.977%0.76667%0.672SS**  trans-81.1129.9170.533.3-28.1000109.3
380N38.2Very low46.4Very low160 Ų160125.6 Ų125.686%0.85668%0.677SS**  trans151.381.5151.9-77.9-19000110.9
381L40.1Very low47.1Very low158 Ų158124.9 Ų124.983%0.82767%0.672SS**SBendtrans-168.7108.1144.8-148.957.9000111.8
382I41.7Very low48Very low135 Ų135127.7 Ų127.769%0.69267%0.674SS**  trans23118.5149.6-51.8171.8000118.2T384I382-T384 VanDerWaalsContact C-N 3.3Å; I382-T384 PolarHBondContact O-N 3.37Å
383Q44.7Very low49.2Very low172 Ų172124.6 Ų124.680%0.80466%0.662SS**THydrogen-bonded Turntrans-51.219.4-174.3-86170.9-27.400121S386 T387Q383-S386 PolarHBondContact O-OG 3.24Å; Q383-T387 PolarHBondContact O-OG1 3.45Å
384T45.8Very low50.5Low100 Ų100121.8 Ų121.861%0.61365%0.653SS**THydrogen-bonded Turntrans-94.3-27.8-17844.20000115.1I382I382-T384 VanDerWaalsContact C-N 3.3Å; I382-T384 PolarHBondContact O-N 3.37Å
385T45.2Very low52Low96 Ų96122.5 Ų122.559%0.58965%0.65SS**Hα-helixtrans-77-26.9179.3410000113.9T387 N389T385-T387 VanDerWaalsContact C-N 3.35Å; T385-T387 PolarHBondContact O-N 3.35Å; T385-N389 PolarHBondContact O-N 3.02Å
386S49.2Very low53.9Low59 Ų59117.5 Ų117.541%0.41363%0.629SS.*Hα-helixtrans-65.7-37.417757.60000112.1Q383 N390Q383-S386 PolarHBondContact O-OG 3.24Å; S386-N390 WeakPolarHBondContact O-CB 3.41Å; S386-N390 PolarHBondContact O-N 3.05Å; S386-N390 VanDerWaalsContact O-N 3.09Å; S386-N390 PolarHBondContact O-ND2 3.03Å
387T51.2Low55.8Low81 Ų81111.5 Ų111.550%0.49760%0.603SS.*Hα-helixtrans-66.7-42.1-179.2-36.10000111.7Q383 T385 N390 T391Q383-T387 PolarHBondContact O-OG1 3.45Å; T385-T387 VanDerWaalsContact C-N 3.35Å; T385-T387 PolarHBondContact O-N 3.35Å; T387-N390 PolarHBondContact O-N 3.37Å; T387-T391 VanDerWaalsContact O-CG2 3.32Å; T387-T391 WeakPolarHBondContact O-CG2 3.44Å; T387-T391 PolarHBondContact O-N 3.47Å; T387-T391 PolarHBondContact O-OG1 3.27Å
388I55.5Low57.7Low114 Ų114110.6 Ų110.659%0.58560%0.596SS**Hα-helixtrans-64.4-47-179.9-61.4173.7000110.7N390 T391 Y392I388-N390 VanDerWaalsContact C-N 3.33Å; I388-N390 PolarHBondContact O-N 3.01Å; I388-T391 PolarHBondContact O-N 3.4Å; I388-T391 PolarHBondContact O-OG1 3.05Å; I388-Y392 PolarHBondContact O-N 3.29Å
389N58.4Low59.8Low104 Ų104109.4 Ų109.456%0.55658%0.584SS**Hα-helixtrans-62.8-39.6178-76.9-17000112.4T385 N393T385-N389 PolarHBondContact O-N 3.02Å; N389-N393 WeakPolarHBondContact O-CB 3.46Å; N389-N393 VanDerWaalsContact O-CG 3.31Å; N389-N393 PolarHBondContact O-N 3.27Å; N389-N393 PolarHBondContact O-ND2 2.96Å
390N64.2Low61.7Low97 Ų97108.9 Ų108.952%0.51957%0.567SS.*Hα-helixtrans-65-42.7177-72.9-15.5000111.8S386 T387 I388 N393 L394S386-N390 WeakPolarHBondContact O-CB 3.41Å; S386-N390 PolarHBondContact O-N 3.05Å; S386-N390 VanDerWaalsContact O-N 3.09Å; S386-N390 PolarHBondContact O-ND2 3.03Å; T387-N390 PolarHBondContact O-N 3.37Å; I388-N390 VanDerWaalsContact C-N 3.33Å; I388-N390 PolarHBondContact O-N 3.01Å; N390-N393 PolarHBondContact O-N 2.89Å; N390-L394 WeakPolarHBondContact O-CB 3.39Å; N390-L394 VanDerWaalsContact O-CG 3.28Å; N390-L394 WeakPolarHBondContact O-CG 3.44Å; N390-L394 PolarHBondContact O-N 3.28Å
391T67.3Low63.9Low81 Ų81104.6 Ų104.650%0.49754%0.544SS..Hα-helixtrans-65.2-41178.159.30000112.8T387 I388 L394 R395T387-T391 VanDerWaalsContact O-CG2 3.32Å; T387-T391 WeakPolarHBondContact O-CG2 3.44Å; T387-T391 PolarHBondContact O-N 3.47Å; T387-T391 PolarHBondContact O-OG1 3.27Å; I388-T391 PolarHBondContact O-N 3.4Å; I388-T391 PolarHBondContact O-OG1 3.05Å; T391-L394 PolarHBondContact O-N 2.78Å; T391-R395 WeakPolarHBondContact O-CB 3.32Å; T391-R395 PolarHBondContact O-N 3.13Å
392Y69.2Low66.1Low148 Ų14898.8 Ų98.858%0.5852%0.522SS*.Hα-helixtrans-63.5-44.4176.2-178-105.5000111.7I388 R395 N396I388-Y392 PolarHBondContact O-N 3.29Å; Y392-R395 PolarHBondContact O-N 3.37Å; Y392-N396 WeakPolarHBondContact CD1-ND2 3.21Å; Y392-N396 WeakPolarHBondContact CE1-ND2 3.46Å; Y392-N396 VanDerWaalsContact CZ-ND2 3.25Å; Y392-N396 WeakPolarHBondContact O-CB 3.26Å; Y392-N396 VanDerWaalsContact O-CG 3.3Å; Y392-N396 PolarHBondContact O-N 2.99Å
393N73.3Confident68.2Low81 Ų8195.9 Ų95.943%0.43351%0.512SS..Hα-helixtrans-62.3-45.1176.1-74-25.7000112N389 N390 R395 N396 I397N389-N393 WeakPolarHBondContact O-CB 3.46Å; N389-N393 VanDerWaalsContact O-CG 3.31Å; N389-N393 PolarHBondContact O-N 3.27Å; N389-N393 PolarHBondContact O-ND2 2.96Å; N390-N393 PolarHBondContact O-N 2.89Å; N393-R395 VanDerWaalsContact C-N 3.34Å; N393-R395 PolarHBondContact O-N 3.28Å; N393-N396 PolarHBondContact O-N 3.36Å; N393-I397 WeakPolarHBondContact O-CB 3.21Å; N393-I397 WeakPolarHBondContact O-CD1 3.4Å; N393-I397 WeakPolarHBondContact O-CG1 3.14Å; N393-I397 PolarHBondContact O-N 2.93Å
394L73.3Confident70.3Confident116 Ų11690.3 Ų90.361%0.60749%0.485SS*.Hα-helixtrans-62.4-40.8176.6-73.5173.3000112.1N390 T391 I397 S398N390-L394 WeakPolarHBondContact O-CB 3.39Å; N390-L394 VanDerWaalsContact O-CG 3.28Å; N390-L394 WeakPolarHBondContact O-CG 3.44Å; N390-L394 PolarHBondContact O-N 3.28Å; T391-L394 PolarHBondContact O-N 2.78Å; L394-I397 PolarHBondContact O-N 3.04Å; L394-S398 VanDerWaalsContact O-CB 3.25Å; L394-S398 WeakPolarHBondContact O-CB 3.49Å; L394-S398 PolarHBondContact O-N 3.36Å
395R77.6Confident72.3Confident191 Ų19190 Ų9072%0.72148%0.479SS*.Hα-helixtrans-64.1-44.8176.5-162.2175.2-162.7146.42.9111.1T391 Y392 N393 I397 S398 T399T391-R395 WeakPolarHBondContact O-CB 3.32Å; T391-R395 PolarHBondContact O-N 3.13Å; Y392-R395 PolarHBondContact O-N 3.37Å; N393-R395 VanDerWaalsContact C-N 3.34Å; N393-R395 PolarHBondContact O-N 3.28Å; R395-I397 PolarHBondContact O-N 3.26Å; R395-S398 PolarHBondContact O-N 3Å; R395-T399 VanDerWaalsContact O-CG2 3.28Å; R395-T399 WeakPolarHBondContact O-CG2 3.11Å; R395-T399 PolarHBondContact O-N 3.08Å; R395-T399 PolarHBondContact O-OG1 3.12Å
396N78.3Confident74.4Confident54 Ų5488.2 Ų88.229%0.28947%0.474SS..Hα-helixtrans-61.7-44.5176.5-73-13.6000112.1Y392 N393 T399 R400Y392-N396 WeakPolarHBondContact CD1-ND2 3.21Å; Y392-N396 WeakPolarHBondContact CE1-ND2 3.46Å; Y392-N396 VanDerWaalsContact CZ-ND2 3.25Å; Y392-N396 WeakPolarHBondContact O-CB 3.26Å; Y392-N396 VanDerWaalsContact O-CG 3.3Å; Y392-N396 PolarHBondContact O-N 2.99Å; N393-N396 PolarHBondContact O-N 3.36Å; N396-T399 WeakPolarHBondContact CA-OG1 3.33Å; N396-T399 PolarHBondContact O-N 2.98Å; N396-T399 PolarHBondContact O-OG1 2.94Å; N396-R400 WeakPolarHBondContact O-CG 3.3Å; N396-R400 PolarHBondContact O-N 3.32Å; N396-R400 VanDerWaalsContact O-N 3.15Å
397I78.2Confident76.5Confident64 Ų6490.1 Ų90.133%0.32848%0.475SS..Hα-helixtrans-61.6-47.4175.7-67.1164.7000110.3L364 N393 L394 R395 T399 R400 L401L364-I397 HydrophobicContact CD2-CD1 4.44Å; L364-I397 HydrophobicContact CD2-CG1 3.86Å; N393-I397 WeakPolarHBondContact O-CB 3.21Å; N393-I397 WeakPolarHBondContact O-CD1 3.4Å; N393-I397 WeakPolarHBondContact O-CG1 3.14Å; N393-I397 PolarHBondContact O-N 2.93Å; L394-I397 PolarHBondContact O-N 3.04Å; R395-I397 PolarHBondContact O-N 3.26Å; I397-T399 PolarHBondContact O-N 3.32Å; I397-R400 PolarHBondContact O-N 3.26Å; I397-R400 VanDerWaalsContact O-N 3.16Å; I397-L401 WeakPolarHBondContact O-CB 3.22Å; I397-L401 PolarHBondContact O-N 2.67Å
398S80.1Confident78.5Confident79 Ų7992 Ų9255%0.55247%0.473SS*.Hα-helixtrans-59.7-43.5178.6-1800000112.2L394 R395 R400 L401 G402L394-S398 VanDerWaalsContact O-CB 3.25Å; L394-S398 WeakPolarHBondContact O-CB 3.49Å; L394-S398 PolarHBondContact O-N 3.36Å; R395-S398 PolarHBondContact O-N 3Å; S398-R400 VanDerWaalsContact C-N 3.27Å; S398-R400 PolarHBondContact O-N 3.08Å; S398-L401 PolarHBondContact O-N 3.1Å; S398-G402 PolarHBondContact O-N 3.07Å
399T82.5Confident80.2Confident89 Ų8992.5 Ų92.555%0.54647%0.468SS..Hα-helixtrans-63.8-30.9177.357.30000113.2R395 N396 I397 P403R395-T399 VanDerWaalsContact O-CG2 3.28Å; R395-T399 WeakPolarHBondContact O-CG2 3.11Å; R395-T399 PolarHBondContact O-N 3.08Å; R395-T399 PolarHBondContact O-OG1 3.12Å; N396-T399 WeakPolarHBondContact CA-OG1 3.33Å; N396-T399 PolarHBondContact O-N 2.98Å; N396-T399 PolarHBondContact O-OG1 2.94Å; I397-T399 PolarHBondContact O-N 3.32Å; T399-P403 VanDerWaalsContact O-CD 3.22Å; T399-P403 WeakPolarHBondContact O-CD 3.49Å
400R81.7Confident81.9Confident108 Ų10888.3 Ų88.341%0.40845%0.445SS..Hα-helixtrans-78.6-41174.4-69-179.4-177.5-163.5-1.6111.7L360 N396 I397 S398 F404L360-R400 HydrophobicContact CD1-CB 4.39Å; L360-R400 HydrophobicContact CD2-CB 4.49Å; N396-R400 WeakPolarHBondContact O-CG 3.3Å; N396-R400 PolarHBondContact O-N 3.32Å; N396-R400 VanDerWaalsContact O-N 3.15Å; I397-R400 PolarHBondContact O-N 3.26Å; I397-R400 VanDerWaalsContact O-N 3.16Å; S398-R400 VanDerWaalsContact C-N 3.27Å; S398-R400 PolarHBondContact O-N 3.08Å; R400-F404 VanDerWaalsContact O-CD2 3.27Å; R400-F404 WeakPolarHBondContact O-CD2 3.44Å
401L85.1Confident83.4Confident69 Ų6983.9 Ų83.936%0.36142%0.421SS..Hα-helixtrans-77.4-34.1-173.7-163.570.5000113.2I397 S398 F404 L405I397-L401 WeakPolarHBondContact O-CB 3.22Å; I397-L401 PolarHBondContact O-N 2.67Å; S398-L401 PolarHBondContact O-N 3.1Å; L401-F404 WeakPolarHBondContact O-CB 3.35Å; L401-F404 PolarHBondContact O-N 2.98Å; L401-F404 VanDerWaalsContact O-N 3.09Å; L401-L405 HydrophobicContact CD2-CD1 4.09Å; L401-L405 HydrophobicContact CG-CD1 4.02Å; L401-L405 HydrophobicContact CG-CG 4.13Å; L401-L405 WeakPolarHBondContact O-CG 3.45Å; L401-L405 PolarHBondContact O-N 3.3Å
402G85.9Confident84.7Confident36 Ų3681.2 Ų81.237%0.37141%0.405SS..Hα-helixtrans-52.4-51.5-178.500000114S398 F404 L405 A406S398-G402 PolarHBondContact O-N 3.07Å; G402-F404 VanDerWaalsContact C-N 3.32Å; G402-F404 PolarHBondContact O-N 3.39Å; G402-L405 PolarHBondContact O-N 2.76Å; G402-A406 PolarHBondContact O-N 2.93Å
403P86.8Confident85.9Confident74 Ų7474.2 Ų74.248%0.48138%0.378SS..Hα-helixtrans-59.4-37.2175.6-26.535000114.1T399 K407T399-P403 VanDerWaalsContact O-CD 3.22Å; T399-P403 WeakPolarHBondContact O-CD 3.49Å; P403-K407 WeakPolarHBondContact O-CB 3.48Å; P403-K407 WeakPolarHBondContact O-CG 3.15Å; P403-K407 PolarHBondContact O-N 3.19Å
404F87.5Confident87.1Confident55 Ų5570.5 Ų70.524%0.24136%0.358CS..Hα-helixtrans-66.5-43.9176-80.4-78.2000111.9L353 L360 R400 L401 G402 A406 K407 R408L353-F404 HydrophobicContact CD1-CD1 3.64Å; L353-F404 HydrophobicContact CD1-CE1 4.07Å; L360-F404 HydrophobicContact CD2-CD2 3.85Å; L360-F404 HydrophobicContact CD2-CE2 3.8Å; R400-F404 VanDerWaalsContact O-CD2 3.27Å; R400-F404 WeakPolarHBondContact O-CD2 3.44Å; L401-F404 WeakPolarHBondContact O-CB 3.35Å; L401-F404 PolarHBondContact O-N 2.98Å; L401-F404 VanDerWaalsContact O-N 3.09Å; G402-F404 VanDerWaalsContact C-N 3.32Å; G402-F404 PolarHBondContact O-N 3.39Å; F404-A406 VanDerWaalsContact C-N 3.34Å; F404-K407 PolarHBondContact O-N 2.8Å; F404-R408 WeakPolarHBondContact O-CB 3.24Å; F404-R408 PolarHBondContact O-N 3.18Å
405L88.5Confident88.1Confident94 Ų9466.8 Ų66.849%0.49234%0.339SS..Hα-helixtrans-64.8-39.7177.1-67.6174.8000111.5L401 G402 R408 R409L401-L405 HydrophobicContact CD2-CD1 4.09Å; L401-L405 HydrophobicContact CG-CD1 4.02Å; L401-L405 HydrophobicContact CG-CG 4.13Å; L401-L405 WeakPolarHBondContact O-CG 3.45Å; L401-L405 PolarHBondContact O-N 3.3Å; G402-L405 PolarHBondContact O-N 2.76Å; L405-R408 PolarHBondContact O-N 3.36Å; L405-R409 VanDerWaalsContact O-CB 3.28Å; L405-R409 WeakPolarHBondContact O-CB 3.08Å; L405-R409 PolarHBondContact O-N 3.42Å
406A89.8Confident88.9Confident58 Ų5858.1 Ų58.148%0.47931%0.308SS..Hα-helixtrans-61.7-48.3175.200000111.6G402 F404 R408 R409 E410G402-A406 PolarHBondContact O-N 2.93Å; F404-A406 VanDerWaalsContact C-N 3.34Å; A406-R408 PolarHBondContact O-N 3.1Å; A406-R409 PolarHBondContact O-N 3.44Å; A406-E410 PolarHBondContact O-N 2.98Å
407K92.3Very high89.8Confident99 Ų9955.7 Ų55.743%0.4330%0.296SS..Hα-helixtrans-61.4-41.2175.3-77.4-177.2179.5-171.90112.6Y330 L353 P403 F404 E410 L411Y330-K407 HydrophobicContact CE2-CB 3.93Å; Y330-K407 HydrophobicContact CE2-CD 4.47Å; Y330-K407 HydrophobicContact CE2-CG 4.05Å; L353-K407 HydrophobicContact CD1-CB 4.04Å; L353-K407 HydrophobicContact CD1-CD 4.21Å; L353-K407 HydrophobicContact CD2-CB 4.15Å; P403-K407 WeakPolarHBondContact O-CB 3.48Å; P403-K407 WeakPolarHBondContact O-CG 3.15Å; P403-K407 PolarHBondContact O-N 3.19Å; F404-K407 PolarHBondContact O-N 2.8Å; K407-E410 PolarHBondContact O-N 3.01Å; K407-L411 PolarHBondContact O-N 3.33Å
408R92.7Very high90.6Very high121 Ų12152.9 Ų52.946%0.45728%0.281SS..Hα-helixtrans-62.8-46.9176.7-179.2177.1172.5169.9-2.2110.8L353 F404 L405 A406 E410 L411 S412L353-R408 HydrophobicContact CD2-CB 3.98Å; F404-R408 WeakPolarHBondContact O-CB 3.24Å; F404-R408 PolarHBondContact O-N 3.18Å; L405-R408 PolarHBondContact O-N 3.36Å; A406-R408 PolarHBondContact O-N 3.1Å; R408-E410 VanDerWaalsContact C-N 3.33Å; R408-E410 PolarHBondContact O-N 2.89Å; R408-L411 PolarHBondContact O-N 2.92Å; R408-S412 WeakPolarHBondContact O-CB 3.21Å; R408-S412 PolarHBondContact O-N 3.46Å; R408-S412 PolarHBondContact O-OG 3.26Å; R408-S412 VanDerWaalsContact O-OG 3.11Å
409R92.4Very high91.2Very high125 Ų12555.3 Ų55.347%0.47228%0.283SS..Hα-helixtrans-59.4-43.9177.6-177.5-177.5160.4161.4-2.1111.6P318 L405 A406 F413P318-R409 VanDerWaalsContact CB-NH2 3.28Å; P318-R409 HydrophobicContact CG-CG 4.08Å; L405-R409 VanDerWaalsContact O-CB 3.28Å; L405-R409 WeakPolarHBondContact O-CB 3.08Å; L405-R409 PolarHBondContact O-N 3.42Å; A406-R409 PolarHBondContact O-N 3.44Å; R409-F413 WeakPolarHBondContact O-CB 3.42Å; R409-F413 PolarHBondContact O-N 3.38Å
410E94.4Very high91.7Very high15 Ų1553.2 Ų53.27%0.0727%0.268CS..Hα-helixtrans-60.7-51.5175.1-179.2179.3176.200111.7L328 H329 Y330 Y331 A406 K407 R408 S412 F413 L414L328-E410 VanDerWaalsContact CA-OE1 3.23Å; L328-E410 WeakPolarHBondContact CA-OE1 3.25Å; L328-E410 HydrophobicContact CB-CG 4.42Å; L328-E410 VanDerWaalsContact CB-OE1 3.29Å; L328-E410 WeakPolarHBondContact CB-OE1 3.25Å; L328-E410 HydrophobicContact CD2-CB 4.39Å; L328-E410 HydrophobicContact CD2-CG 4.02Å; H329-E410 PolarHBondContact N-OE1 3.34Å; H329-E410 PolarHBondContact N-OE2 3.31Å; Y330-E410 WeakPolarHBondContact CA-OE1 3.13Å; Y330-E410 WeakPolarHBondContact CB-OE1 3.31Å; Y330-E410 HydrophobicContact CD2-CB 4.4Å; Y330-E410 HydrophobicContact CD2-CG 4.08Å; Y330-E410 PolarHBondContact N-OE1 3.37Å; Y331-E410 PolarHBondContact N-OE1 3.48Å; A406-E410 PolarHBondContact O-N 2.98Å; K407-E410 PolarHBondContact O-N 3.01Å; R408-E410 VanDerWaalsContact C-N 3.33Å; R408-E410 PolarHBondContact O-N 2.89Å; E410-S412 PolarHBondContact O-N 2.83Å; E410-F413 WeakPolarHBondContact O-CB 3.41Å; E410-F413 PolarHBondContact O-N 3.27Å; E410-L414 HydrophobicContact CG-CD1 4.07Å; E410-L414 WeakPolarHBondContact O-CG 3.16Å; E410-L414 PolarHBondContact O-N 3.26Å
411L95Very high92.2Very high4 Ų448 Ų482%0.02125%0.248CC..Hα-helixtrans-61.5-44.5179.1-75.7176.2000112.5Y330 L346 W349 L353 K407 R408 F413 L414 L415Y330-L411 HydrophobicContact CD1-CD2 4.09Å; Y330-L411 HydrophobicContact CD2-CD1 4.36Å; Y330-L411 HydrophobicContact CD2-CD2 3.58Å; Y330-L411 HydrophobicContact CD2-CG 3.58Å; Y330-L411 HydrophobicContact CE1-CD2 4.35Å; Y330-L411 HydrophobicContact CE2-CD1 3.81Å; Y330-L411 HydrophobicContact CE2-CD2 3.86Å; Y330-L411 HydrophobicContact CE2-CG 3.52Å; Y330-L411 HydrophobicContact CG-CD2 3.68Å; Y330-L411 HydrophobicContact CG-CG 4.22Å; L346-L411 HydrophobicContact CD2-CD2 4.05Å; W349-L411 HydrophobicContact CB-CD1 4.21Å; W349-L411 HydrophobicContact CB-CD2 3.96Å; W349-L411 HydrophobicContact CE3-CD2 4.01Å; L353-L411 HydrophobicContact CB-CD1 4.35Å; L353-L411 HydrophobicContact CD2-CD1 3.78Å; K407-L411 PolarHBondContact O-N 3.33Å; R408-L411 PolarHBondContact O-N 2.92Å; L411-F413 VanDerWaalsContact C-N 3.29Å; L411-F413 PolarHBondContact O-N 3Å; L411-L414 PolarHBondContact O-N 2.98Å; L411-L415 WeakPolarHBondContact O-CB 3.44Å; L411-L415 WeakPolarHBondContact O-CG 3.17Å; L411-L415 PolarHBondContact O-N 2.92Å
412S93.9Very high92.5Very high25 Ų2548 Ų4818%0.17525%0.248CC..Hα-helixtrans-59.2-43.1177.2-66.40000111.1R408 E410 L415 A416R408-S412 WeakPolarHBondContact O-CB 3.21Å; R408-S412 PolarHBondContact O-N 3.46Å; R408-S412 PolarHBondContact O-OG 3.26Å; R408-S412 VanDerWaalsContact O-OG 3.11Å; E410-S412 PolarHBondContact O-N 2.83Å; S412-L415 PolarHBondContact O-N 2.91Å; S412-A416 PolarHBondContact O-N 3.44Å
413F95.6Very high92.6Very high2 Ų248.5 Ų48.51%0.00925%0.245CC..Hα-helixtrans-62.1-46.2176.7-177-96.8000112.6V306 L308 P318 Q321 L323 R409 E410 L411 A416 C417V306-F413 HydrophobicContact CB-CE1 4.42Å; V306-F413 HydrophobicContact CB-CZ 3.84Å; V306-F413 HydrophobicContact CG1-CE1 4.49Å; V306-F413 HydrophobicContact CG1-CZ 3.74Å; L308-F413 HydrophobicContact CD1-CD2 3.65Å; L308-F413 HydrophobicContact CD1-CE2 3.41Å; L308-F413 VanDerWaalsContact CD1-CE2 3.41Å; L308-F413 HydrophobicContact CD1-CZ 4.22Å; L308-F413 HydrophobicContact CG-CD2 4.47Å; L308-F413 HydrophobicContact CG-CE2 3.74Å; L308-F413 HydrophobicContact CG-CZ 4.24Å; P318-F413 HydrophobicContact CG-CB 4.33Å; P318-F413 HydrophobicContact CG-CD2 3.79Å; P318-F413 HydrophobicContact CG-CG 4.32Å; P318-F413 WeakPolarHBondContact O-CD2 3.09Å; Q321-F413 HydrophobicContact CB-CD1 3.91Å; Q321-F413 HydrophobicContact CB-CD2 3.9Å; Q321-F413 HydrophobicContact CB-CE1 3.55Å; Q321-F413 HydrophobicContact CB-CE2 3.52Å; Q321-F413 HydrophobicContact CB-CG 4.09Å; Q321-F413 HydrophobicContact CB-CZ 3.36Å; Q321-F413 HydrophobicContact CG-CD1 3.88Å; Q321-F413 HydrophobicContact CG-CE1 3.87Å; Q321-F413 HydrophobicContact CG-CE2 4.5Å; Q321-F413 HydrophobicContact CG-CG 4.23Å; Q321-F413 HydrophobicContact CG-CZ 4.21Å; L323-F413 HydrophobicContact CD2-CE1 4.24Å; R409-F413 WeakPolarHBondContact O-CB 3.42Å; R409-F413 PolarHBondContact O-N 3.38Å; E410-F413 WeakPolarHBondContact O-CB 3.41Å; E410-F413 PolarHBondContact O-N 3.27Å; L411-F413 VanDerWaalsContact C-N 3.29Å; L411-F413 PolarHBondContact O-N 3Å; F413-A416 PolarHBondContact O-N 3.29Å; F413-C417 WeakPolarHBondContact CE1-SG 3.02Å; F413-C417 PolarHBondContact O-N 2.8Å; F413-C417 PolarHBondContact O-SG 3.37Å
414L96.6Very high92.4Very high3 Ų345.2 Ų45.22%0.01622%0.224CC..Hα-helixtrans-67-36.3179.6-64.2172.5000112.2F291 Y331 V334 L346 E410 L411 C417 L418F291-L414 HydrophobicContact CE1-CD2 3.99Å; Y331-L414 HydrophobicContact CD2-CD2 4.32Å; V334-L414 HydrophobicContact CG2-CD1 4.36Å; L346-L414 HydrophobicContact CD1-CB 4.08Å; L346-L414 HydrophobicContact CD2-CB 4.04Å; L346-L414 HydrophobicContact CD2-CD1 4.17Å; E410-L414 HydrophobicContact CG-CD1 4.07Å; E410-L414 WeakPolarHBondContact O-CG 3.16Å; E410-L414 PolarHBondContact O-N 3.26Å; L411-L414 PolarHBondContact O-N 2.98Å; L414-C417 PolarHBondContact O-N 3.39Å; L414-L418 WeakPolarHBondContact O-CB 3.35Å; L414-L418 PolarHBondContact O-N 3.44Å
415L95.5Very high92.1Very high37 Ų3743.9 Ų43.919%0.19422%0.219CC..Hα-helixtrans-64-43.2173.4-78.4165.6000111.4L346 L411 S412 L418 E419L346-L415 HydrophobicContact CB-CD2 3.74Å; L346-L415 HydrophobicContact CB-CG 4.2Å; L346-L415 HydrophobicContact CD1-CD2 3.99Å; L346-L415 HydrophobicContact CD1-CG 4.18Å; L411-L415 WeakPolarHBondContact O-CB 3.44Å; L411-L415 WeakPolarHBondContact O-CG 3.17Å; L411-L415 PolarHBondContact O-N 2.92Å; S412-L415 PolarHBondContact O-N 2.91Å; L415-L418 WeakPolarHBondContact O-CB 3.28Å; L415-L418 PolarHBondContact O-N 3.07Å; L415-E419 PolarHBondContact O-N 3.49Å
416A95Very high91.7Very high10 Ų1044.2 Ų44.28%0.08323%0.225CC..Hα-helixtrans-63-41.9175.200000111.7L308 S412 F413 L418 E419 Q420L308-A416 HydrophobicContact CD1-CB 3.86Å; S412-A416 PolarHBondContact O-N 3.44Å; F413-A416 PolarHBondContact O-N 3.29Å; A416-L418 VanDerWaalsContact C-N 3.35Å; A416-L418 PolarHBondContact O-N 2.7Å; A416-E419 PolarHBondContact O-N 2.98Å; A416-Q420 WeakPolarHBondContact O-CG 3.5Å; A416-Q420 PolarHBondContact O-N 2.92Å
417C95.9Very high90.8Very high3 Ų347.9 Ų47.92%0.0224%0.236CC..Hα-helixtrans-59.9-45.4173.1-66.60000111.6F291 V295 I299 F413 L414 E419 Q420 V421F291-C417 HydrophobicContact CZ-CB 4.07Å; V295-C417 HydrophobicContact CG2-CB 4.18Å; I299-C417 HydrophobicContact CD1-CB 4.16Å; F413-C417 WeakPolarHBondContact CE1-SG 3.02Å; F413-C417 PolarHBondContact O-N 2.8Å; F413-C417 PolarHBondContact O-SG 3.37Å; L414-C417 PolarHBondContact O-N 3.39Å; C417-E419 PolarHBondContact O-N 3.37Å; C417-Q420 PolarHBondContact O-N 3.26Å; C417-V421 WeakPolarHBondContact O-CG2 3.36Å; C417-V421 PolarHBondContact O-N 2.75Å
418L95.7Very high89.4Confident4 Ų449.8 Ų49.82%0.02125%0.245CC..Hα-helixtrans-61.2-43.8177.8176.566.2000111.6F291 I339 V342 H343 L346 L414 L415 A416 Q420 V421 L422F291-L418 HydrophobicContact CD2-CD1 4.5Å; F291-L418 HydrophobicContact CE2-CB 3.99Å; F291-L418 HydrophobicContact CE2-CD1 4.13Å; F291-L418 HydrophobicContact CZ-CB 4.42Å; I339-L418 HydrophobicContact CD1-CD1 3.61Å; V342-L418 HydrophobicContact CB-CD1 4.3Å; V342-L418 HydrophobicContact CG1-CD1 4.19Å; V342-L418 HydrophobicContact CG1-CD2 4.3Å; H343-L418 HydrophobicContact CB-CD2 3.82Å; L346-L418 HydrophobicContact CD1-CB 4.34Å; L346-L418 HydrophobicContact CD1-CD2 4.02Å; L414-L418 WeakPolarHBondContact O-CB 3.35Å; L414-L418 PolarHBondContact O-N 3.44Å; L415-L418 WeakPolarHBondContact O-CB 3.28Å; L415-L418 PolarHBondContact O-N 3.07Å; A416-L418 VanDerWaalsContact C-N 3.35Å; A416-L418 PolarHBondContact O-N 2.7Å; L418-Q420 VanDerWaalsContact C-N 3.35Å; L418-Q420 PolarHBondContact O-N 2.9Å; L418-V421 PolarHBondContact O-N 3.49Å; L418-L422 HydrophobicContact CD1-CD1 3.95Å; L418-L422 HydrophobicContact CD1-CD2 4.42Å; L418-L422 HydrophobicContact CD1-CG 3.91Å; L418-L422 HydrophobicContact CD2-CD1 4.41Å; L418-L422 HydrophobicContact CG-CD1 3.87Å; L418-L422 HydrophobicContact CG-CG 4.21Å; L418-L422 WeakPolarHBondContact O-CB 3.25Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.34Å; L418-L422 PolarHBondContact O-N 3.35Å
419E93.4Very high87.9Confident130 Ų13044.8 Ų44.861%0.60723%0.226SC*.Hα-helixtrans-59.4-46.1177-176.9177.3-174.700111.4L415 A416 C417 V421 L422 C423L415-E419 PolarHBondContact O-N 3.49Å; A416-E419 PolarHBondContact O-N 2.98Å; C417-E419 PolarHBondContact O-N 3.37Å; E419-V421 PolarHBondContact O-N 3.31Å; E419-L422 PolarHBondContact O-N 3.31Å; E419-C423 WeakPolarHBondContact O-CB 3.34Å; E419-C423 PolarHBondContact O-N 3.49Å
420Q91.7Very high86.7Confident45 Ų4542.8 Ų42.821%0.2122%0.219CC..Hα-helixtrans-61.7-44.1176.3-69.2-56.6-53.400112.2I299 L308 C312 A416 C417 L418 A424I299-Q420 HydrophobicContact CD1-CB 3.81Å; I299-Q420 HydrophobicContact CD1-CG 4.48Å; I299-Q420 HydrophobicContact CG1-CB 4.21Å; L308-Q420 HydrophobicContact CD2-CG 4.47Å; C312-Q420 PolarHBondContact SG-NE2 2.86Å; A416-Q420 WeakPolarHBondContact O-CG 3.5Å; A416-Q420 PolarHBondContact O-N 2.92Å; C417-Q420 PolarHBondContact O-N 3.26Å; L418-Q420 VanDerWaalsContact C-N 3.35Å; L418-Q420 PolarHBondContact O-N 2.9Å; Q420-A424 WeakPolarHBondContact O-CB 3.22Å; Q420-A424 PolarHBondContact O-N 3.46Å
421V92Very high85.7Confident0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-61-51.4176.2169.20000110.8L294 V295 V298 I299 I339 C417 L418 E419 C423 A424 M425L294-V421 HydrophobicContact CB-CG1 3.85Å; L294-V421 HydrophobicContact CB-CG2 4.48Å; L294-V421 HydrophobicContact CD1-CG1 4.33Å; V295-V421 HydrophobicContact CG2-CG2 3.95Å; V298-V421 HydrophobicContact CB-CG2 4.3Å; V298-V421 HydrophobicContact CG2-CG2 4.48Å; I299-V421 HydrophobicContact CD1-CG2 4.48Å; I339-V421 HydrophobicContact CD1-CG1 3.87Å; I339-V421 HydrophobicContact CG1-CG1 4.42Å; C417-V421 WeakPolarHBondContact O-CG2 3.36Å; C417-V421 PolarHBondContact O-N 2.75Å; L418-V421 PolarHBondContact O-N 3.49Å; E419-V421 PolarHBondContact O-N 3.31Å; V421-C423 PolarHBondContact O-N 2.67Å; V421-A424 PolarHBondContact O-N 2.92Å; V421-M425 HydrophobicContact CG1-CG 4.29Å; V421-M425 HydrophobicContact CG1-SD 3.7Å; V421-M425 WeakPolarHBondContact O-CB 3.28Å; V421-M425 WeakPolarHBondContact O-CG 3.18Å; V421-M425 PolarHBondContact O-N 3.3Å
422L91Very high84.8Confident68 Ų6846.7 Ų46.736%0.35624%0.237SC..Hα-helixtrans-62.9-43.3179.9-68.7177.5000111.6I339 L418 E419 M425 T426I339-L422 HydrophobicContact CG1-CD2 4.43Å; L418-L422 HydrophobicContact CD1-CD1 3.95Å; L418-L422 HydrophobicContact CD1-CD2 4.42Å; L418-L422 HydrophobicContact CD1-CG 3.91Å; L418-L422 HydrophobicContact CD2-CD1 4.41Å; L418-L422 HydrophobicContact CG-CD1 3.87Å; L418-L422 HydrophobicContact CG-CG 4.21Å; L418-L422 WeakPolarHBondContact O-CB 3.25Å; L418-L422 VanDerWaalsContact O-CG 3.29Å; L418-L422 WeakPolarHBondContact O-CG 3.34Å; L418-L422 PolarHBondContact O-N 3.35Å; E419-L422 PolarHBondContact O-N 3.31Å; L422-M425 PolarHBondContact O-N 2.95Å; L422-T426 WeakPolarHBondContact O-CB 3.46Å; L422-T426 WeakPolarHBondContact O-CG2 3.31Å; L422-T426 PolarHBondContact O-N 2.96Å; L422-T426 PolarHBondContact O-OG1 2.91Å
423C88.5Confident84.2Confident46 Ų4648.5 Ų48.531%0.31125%0.245SC..Hα-helixtrans-57.3-51.6175.7-178.50000110.8E419 V421 M425 T426 L427E419-C423 WeakPolarHBondContact O-CB 3.34Å; E419-C423 PolarHBondContact O-N 3.49Å; V421-C423 PolarHBondContact O-N 2.67Å; C423-M425 VanDerWaalsContact C-N 3.34Å; C423-M425 PolarHBondContact O-N 3.23Å; C423-T426 PolarHBondContact O-N 3.28Å; C423-T426 PolarHBondContact O-OG1 3.43Å; C423-L427 WeakPolarHBondContact O-CB 3.23Å; C423-L427 PolarHBondContact O-N 3.09Å
424A83.3Confident83.7Confident6 Ų648.5 Ų48.55%0.0525%0.245CC..Iπ-helixtrans-61.4-41.9177.700000112.4V298 Q420 V421 T426 K428 E429V298-A424 HydrophobicContact CB-CB 4.35Å; V298-A424 HydrophobicContact CG1-CB 3.33Å; V298-A424 HydrophobicContact CG2-CB 4.06Å; Q420-A424 WeakPolarHBondContact O-CB 3.22Å; Q420-A424 PolarHBondContact O-N 3.46Å; V421-A424 PolarHBondContact O-N 2.92Å; A424-T426 VanDerWaalsContact C-N 3.32Å; A424-T426 PolarHBondContact O-N 3.45Å; A424-K428 PolarHBondContact O-N 3.44Å; A424-E429 PolarHBondContact O-N 2.88Å; A424-E429 VanDerWaalsContact O-N 3.08Å
425M80.4Confident83.1Confident26 Ų2652.2 Ų52.213%0.12826%0.259CS..Iπ-helixtrans-61.2-40177.6-73.5177.671.800112.5L294 I339 V421 L422 C423 V431L294-M425 HydrophobicContact CD1-SD 4.19Å; L294-M425 HydrophobicContact CD2-SD 4.49Å; I339-M425 HydrophobicContact CG1-SD 4.18Å; I339-M425 HydrophobicContact CG2-CE 4.45Å; V421-M425 HydrophobicContact CG1-CG 4.29Å; V421-M425 HydrophobicContact CG1-SD 3.7Å; V421-M425 WeakPolarHBondContact O-CB 3.28Å; V421-M425 WeakPolarHBondContact O-CG 3.18Å; V421-M425 PolarHBondContact O-N 3.3Å; L422-M425 PolarHBondContact O-N 2.95Å; C423-M425 VanDerWaalsContact C-N 3.34Å; C423-M425 PolarHBondContact O-N 3.23Å; M425-V431 HydrophobicContact CB-CB 4.22Å; M425-V431 HydrophobicContact CB-CG2 4.07Å; M425-V431 HydrophobicContact CE-CG1 4.05Å; M425-V431 HydrophobicContact CG-CB 4.26Å; M425-V431 HydrophobicContact CG-CG1 4.38Å; M425-V431 HydrophobicContact CG-CG2 3.96Å; M425-V431 PolarHBondContact O-N 2.67Å
426T79.9Confident82.8Confident102 Ų10253.2 Ų53.263%0.62627%0.267SS*.Iπ-helixtrans-82.9-39.5-178.657.10000114.4L422 C423 A424L422-T426 WeakPolarHBondContact O-CB 3.46Å; L422-T426 WeakPolarHBondContact O-CG2 3.31Å; L422-T426 PolarHBondContact O-N 2.96Å; L422-T426 PolarHBondContact O-OG1 2.91Å; C423-T426 PolarHBondContact O-N 3.28Å; C423-T426 PolarHBondContact O-OG1 3.43Å; A424-T426 VanDerWaalsContact C-N 3.32Å; A424-T426 PolarHBondContact O-N 3.45Å
427L71.6Confident82.6Confident134 Ų13452.8 Ų52.870%0.70226%0.263SS*.Iπ-helixtrans-106-38-167.3-63.6-178.1000113.8C423C423-L427 WeakPolarHBondContact O-CB 3.23Å; C423-L427 PolarHBondContact O-N 3.09Å
428K63.4Low82.4Confident140 Ų14052.9 Ų52.961%0.60926%0.263SS*.Iπ-helixtrans-99.2-42.7-166.8-66.5-175.6178.7177.70113.3A424A424-K428 PolarHBondContact O-N 3.44Å
429E61.4Low82.2Confident16 Ų1653.7 Ų53.78%0.07527%0.269CS..SBendtrans-108.22.2-165.8-74.5-173.7179.900114.7A424 V431 R803A424-E429 PolarHBondContact O-N 2.88Å; A424-E429 VanDerWaalsContact O-N 3.08Å; E429-V431 HydrophobicContact CB-CG2 3.46Å; E429-V431 VanDerWaalsContact CB-CG2 3.46Å; E429-V431 PolarHBondContact O-N 3.23Å; E429-R803 IonicContact OE1-CZ 3.52Å; E429-R803 IonicContact OE1-NH1 3.66Å; E429-R803 PolarHBondContact OE1-NH1 3.39Å; E429-R803 IonicContact OE1-NH2 3.65Å; E429-R803 PolarHBondContact OE1-NH2 3.16Å
430R67.6Low82.1Confident83 Ų8350.3 Ų50.331%0.31326%0.255SS..  trans35.552.8-168-65-169.4-63-161.5-16.5110E432 D433 L434 E504R430-E432 PolarHBondContact O-N 3.03Å; R430-D433 HydrophobicContact CB-CB 3.96Å; R430-D433 WeakPolarHBondContact CD-OD2 3.48Å; R430-D433 IonicContact NE-OD2 3.14Å; R430-D433 WeakPolarHBondContact O-CA 3.29Å; R430-D433 WeakPolarHBondContact O-CB 3.35Å; R430-D433 PolarHBondContact O-N 3.04Å; R430-L434 PolarHBondContact O-N 2.98Å; R430-E504 IonicContact CZ-OE1 2.8Å; R430-E504 VanDerWaalsContact CZ-OE1 3.23Å; R430-E504 IonicContact CZ-OE2 2.8Å; R430-E504 IonicContact NH1-OE1 3.14Å; R430-E504 PolarHBondContact NH1-OE1 3.09Å; R430-E504 IonicContact NH1-OE2 2.65Å; R430-E504 IonicContact NH2-OE1 3.71Å; R430-E504 PolarHBondContact NH2-OE1 2.9Å; R430-E504 IonicContact NH2-OE2 3.84Å; R430-E504 PolarHBondContact NH2-OE2 3.04Å
431V72.2Confident82.1Confident4 Ų448.2 Ų48.22%0.02425%0.245CC..Hα-helixtrans-59.1-28.5-165.7172.50000111.4M425 E429 L434 R435M425-V431 HydrophobicContact CB-CB 4.22Å; M425-V431 HydrophobicContact CB-CG2 4.07Å; M425-V431 HydrophobicContact CE-CG1 4.05Å; M425-V431 HydrophobicContact CG-CB 4.26Å; M425-V431 HydrophobicContact CG-CG1 4.38Å; M425-V431 HydrophobicContact CG-CG2 3.96Å; M425-V431 PolarHBondContact O-N 2.67Å; E429-V431 HydrophobicContact CB-CG2 3.46Å; E429-V431 VanDerWaalsContact CB-CG2 3.46Å; E429-V431 PolarHBondContact O-N 3.23Å; V431-L434 PolarHBondContact O-N 3.18Å; V431-R435 WeakPolarHBondContact O-CB 3.46Å; V431-R435 PolarHBondContact O-N 3.13Å
432E75.5Confident82.1Confident97 Ų9748.2 Ų48.245%0.45325%0.245SC..Hα-helixtrans-66.2-39.5172.8-65.7-62.217700113.6R430 R435 T436R430-E432 PolarHBondContact O-N 3.03Å; E432-R435 PolarHBondContact O-N 3.19Å; E432-R435 IonicContact OE1-NH2 3.01Å; E432-R435 IonicContact OE2-CZ 2.85Å; E432-R435 IonicContact OE2-NE 3.63Å; E432-R435 PolarHBondContact OE2-NE 3.36Å; E432-R435 IonicContact OE2-NH2 3.79Å; E432-R435 PolarHBondContact OE2-NH2 3.36Å; E432-T436 VanDerWaalsContact O-CB 3.24Å; E432-T436 WeakPolarHBondContact O-CB 3.18Å; E432-T436 PolarHBondContact O-N 3.26Å; E432-T436 PolarHBondContact O-OG1 3.28Å
433D81.8Confident82.1Confident63 Ų6347.1 Ų47.134%0.33724%0.238SC..Hα-helixtrans-68.5-42.9173.8-66.3-22.9000110.5R430 R435 T436 A437 L501R430-D433 HydrophobicContact CB-CB 3.96Å; R430-D433 WeakPolarHBondContact CD-OD2 3.48Å; R430-D433 IonicContact NE-OD2 3.14Å; R430-D433 WeakPolarHBondContact O-CA 3.29Å; R430-D433 WeakPolarHBondContact O-CB 3.35Å; R430-D433 PolarHBondContact O-N 3.04Å; D433-R435 PolarHBondContact O-N 3.19Å; D433-T436 PolarHBondContact O-N 3.02Å; D433-A437 VanDerWaalsContact O-CB 3.26Å; D433-A437 WeakPolarHBondContact O-CB 3.4Å; D433-A437 PolarHBondContact O-N 3.07Å; D433-L501 HydrophobicContact CB-CD2 3.93Å
434L85.2Confident82.1Confident1 Ų145.6 Ų45.61%0.00523%0.228CC..Hα-helixtrans-57.3-49.6174-179.650.9000110.9V287 R430 V431 A437 Q438 W505 L520V287-L434 HydrophobicContact CG2-CD2 3.58Å; V287-L434 HydrophobicContact CG2-CG 4.17Å; R430-L434 PolarHBondContact O-N 2.98Å; V431-L434 PolarHBondContact O-N 3.18Å; L434-A437 WeakPolarHBondContact O-CB 3.47Å; L434-A437 PolarHBondContact O-N 3.13Å; L434-Q438 HydrophobicContact CD1-CG 4.12Å; L434-Q438 WeakPolarHBondContact O-CB 3.3Å; L434-Q438 VanDerWaalsContact O-CG 3.3Å; L434-Q438 WeakPolarHBondContact O-CG 3.38Å; L434-Q438 PolarHBondContact O-N 3.03Å; L434-W505 HydrophobicContact CB-CH2 3.91Å; L434-W505 HydrophobicContact CD1-CH2 3.86Å; L434-W505 HydrophobicContact CD1-CZ3 3.95Å; L434-W505 HydrophobicContact CD2-CH2 4.39Å; L434-W505 HydrophobicContact CG-CH2 4.24Å; L434-L520 HydrophobicContact CD1-CD1 4.15Å; L434-L520 HydrophobicContact CD1-CD2 3.65Å; L434-L520 HydrophobicContact CD1-CG 3.81Å
435R85.2Confident82.3Confident81 Ų8145.3 Ų45.331%0.30623%0.225SC..Hα-helixtrans-64.9-42.4-179.5-174.2178.571.2122.50.7111.1V431 E432 D433 A437 Q438 S439V431-R435 WeakPolarHBondContact O-CB 3.46Å; V431-R435 PolarHBondContact O-N 3.13Å; E432-R435 PolarHBondContact O-N 3.19Å; E432-R435 IonicContact OE1-NH2 3.01Å; E432-R435 IonicContact OE2-CZ 2.85Å; E432-R435 IonicContact OE2-NE 3.63Å; E432-R435 PolarHBondContact OE2-NE 3.36Å; E432-R435 IonicContact OE2-NH2 3.79Å; E432-R435 PolarHBondContact OE2-NH2 3.36Å; D433-R435 PolarHBondContact O-N 3.19Å; R435-A437 VanDerWaalsContact C-N 3.31Å; R435-A437 PolarHBondContact O-N 3.45Å; R435-Q438 PolarHBondContact O-N 2.94Å; R435-S439 WeakPolarHBondContact O-CB 3.3Å; R435-S439 PolarHBondContact O-N 3.35Å; R435-S439 PolarHBondContact O-OG 2.89Å
436T87.5Confident82.5Confident59 Ų5944 Ų4436%0.36222%0.219SC..Hα-helixtrans-61.3-43.9175-58.90000110.2E432 D433 S439 L440 L497E432-T436 VanDerWaalsContact O-CB 3.24Å; E432-T436 WeakPolarHBondContact O-CB 3.18Å; E432-T436 PolarHBondContact O-N 3.26Å; E432-T436 PolarHBondContact O-OG1 3.28Å; D433-T436 PolarHBondContact O-N 3.02Å; T436-S439 WeakPolarHBondContact O-CB 3.38Å; T436-S439 PolarHBondContact O-N 2.78Å; T436-L440 HydrophobicContact CG2-CD1 4.44Å; T436-L440 WeakPolarHBondContact O-CG 3.39Å; T436-L440 PolarHBondContact O-N 2.66Å; T436-L497 HydrophobicContact CG2-CD2 3.74Å
437A90.8Very high82.6Confident0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-62.6-47.4175.800000112.4D433 L434 R435 S439 L440 L441 P498 L501 L520D433-A437 VanDerWaalsContact O-CB 3.26Å; D433-A437 WeakPolarHBondContact O-CB 3.4Å; D433-A437 PolarHBondContact O-N 3.07Å; L434-A437 WeakPolarHBondContact O-CB 3.47Å; L434-A437 PolarHBondContact O-N 3.13Å; R435-A437 VanDerWaalsContact C-N 3.31Å; R435-A437 PolarHBondContact O-N 3.45Å; A437-S439 VanDerWaalsContact C-N 3.31Å; A437-S439 PolarHBondContact O-N 3.13Å; A437-L440 PolarHBondContact O-N 3.11Å; A437-L441 WeakPolarHBondContact O-CG 3.38Å; A437-L441 PolarHBondContact O-N 2.98Å; A437-P498 HydrophobicContact CB-CB 3.88Å; A437-P498 HydrophobicContact CB-CG 3.97Å; A437-L501 HydrophobicContact CB-CD2 4.13Å; A437-L520 HydrophobicContact CB-CD1 4.27Å; A437-L520 HydrophobicContact CB-CD2 3.9Å
438Q92.7Very high82.9Confident6 Ų635.6 Ų35.63%0.02819%0.185CC..Hα-helixtrans-60.1-41.2175.3-71.5-177.9-20.200111.6L285 L286 V287 L434 R435 L441 L442 L520 L523L285-Q438 PolarHBondContact O-NE2 2.82Å; L286-Q438 HydrophobicContact CD2-CB 4.1Å; L286-Q438 HydrophobicContact CD2-CG 4.3Å; V287-Q438 VanDerWaalsContact N-OE1 3.11Å; L434-Q438 HydrophobicContact CD1-CG 4.12Å; L434-Q438 WeakPolarHBondContact O-CB 3.3Å; L434-Q438 VanDerWaalsContact O-CG 3.3Å; L434-Q438 WeakPolarHBondContact O-CG 3.38Å; L434-Q438 PolarHBondContact O-N 3.03Å; R435-Q438 PolarHBondContact O-N 2.94Å; Q438-L441 PolarHBondContact O-N 2.71Å; Q438-L442 WeakPolarHBondContact O-CB 3.49Å; Q438-L442 WeakPolarHBondContact O-CG 3.4Å; Q438-L442 PolarHBondContact O-N 3.41Å; Q438-L520 HydrophobicContact CG-CD2 4.09Å; Q438-L523 HydrophobicContact CB-CD2 4.1Å; Q438-L523 HydrophobicContact CG-CD2 3.68Å
439S90.5Very high83.4Confident21 Ų2130.3 Ų30.315%0.14717%0.167CC..Hα-helixtrans-61.5-45.8177.2-56.50000111.7R435 T436 A437 L441 L442 Q443 Q658R435-S439 WeakPolarHBondContact O-CB 3.3Å; R435-S439 PolarHBondContact O-N 3.35Å; R435-S439 PolarHBondContact O-OG 2.89Å; T436-S439 WeakPolarHBondContact O-CB 3.38Å; T436-S439 PolarHBondContact O-N 2.78Å; A437-S439 VanDerWaalsContact C-N 3.31Å; A437-S439 PolarHBondContact O-N 3.13Å; S439-L441 VanDerWaalsContact C-N 3.35Å; S439-L442 PolarHBondContact O-N 3.13Å; S439-Q443 WeakPolarHBondContact O-CB 3.36Å; S439-Q443 PolarHBondContact O-N 3.39Å; S439-Q658 PolarHBondContact OG-NE2 3.48Å; S439-Q658 PolarHBondContact OG-OE1 3.26Å; S439-Q658 VanDerWaalsContact OG-OE1 3.13Å
440L91.2Very high84.3Confident59 Ų5930 Ų3031%0.30917%0.166SC..Hα-helixtrans-63.3-41.1176.8-71.2172.5000111.7T436 A437 Q443 S444 L490 L497 P498T436-L440 HydrophobicContact CG2-CD1 4.44Å; T436-L440 WeakPolarHBondContact O-CG 3.39Å; T436-L440 PolarHBondContact O-N 2.66Å; A437-L440 PolarHBondContact O-N 3.11Å; L440-Q443 PolarHBondContact O-N 2.9Å; L440-S444 WeakPolarHBondContact O-CB 3.07Å; L440-S444 PolarHBondContact O-N 2.94Å; L440-L490 HydrophobicContact CB-CD2 3.88Å; L440-L490 WeakPolarHBondContact O-CD2 3.32Å; L440-L497 HydrophobicContact CD1-CB 4.06Å; L440-L497 HydrophobicContact CD1-CD2 3.88Å; L440-P498 HydrophobicContact CB-CG 4.27Å
441L92.7Very high84.6Confident0 Ų026.1 Ų26.10%015%0.152CC..Hα-helixtrans-62.7-47.9175.4-71.9174.5000111.3A437 Q438 S439 Q443 S444 G445 L490 P498 L520 L523 N524 L527A437-L441 WeakPolarHBondContact O-CG 3.38Å; A437-L441 PolarHBondContact O-N 2.98Å; Q438-L441 PolarHBondContact O-N 2.71Å; S439-L441 VanDerWaalsContact C-N 3.35Å; L441-Q443 PolarHBondContact O-N 3.38Å; L441-S444 PolarHBondContact O-N 3.17Å; L441-G445 PolarHBondContact O-N 3.37Å; L441-L490 HydrophobicContact CD2-CD2 3.99Å; L441-L490 HydrophobicContact CG-CD2 4.5Å; L441-P498 HydrophobicContact CD1-CB 4Å; L441-P498 HydrophobicContact CD1-CG 4.48Å; L441-P498 HydrophobicContact CD2-CB 4.05Å; L441-P498 HydrophobicContact CD2-CG 4.11Å; L441-P498 HydrophobicContact CG-CB 3.89Å; L441-P498 HydrophobicContact CG-CG 3.88Å; L441-L520 HydrophobicContact CD1-CD2 4.08Å; L441-L523 HydrophobicContact CD1-CB 4.38Å; L441-L523 HydrophobicContact CD1-CD2 3.99Å; L441-L523 HydrophobicContact CD1-CG 4.19Å; L441-N524 HydrophobicContact CD1-CB 4.21Å; L441-N524 HydrophobicContact CD2-CB 3.67Å; L441-L527 HydrophobicContact CB-CD1 3.76Å
442L92.4Very high84.2Confident1 Ų129 Ų291%0.00517%0.166CC..Hα-helixtrans-61.6-42.3177-71.7171.4000111.9V282 L286 Q438 S439 G445 S446 L450 L527 Y625 Q658 H659V282-L442 HydrophobicContact CG1-CD2 4.14Å; L286-L442 HydrophobicContact CD1-CD1 4.17Å; L286-L442 HydrophobicContact CD1-CD2 4.35Å; L286-L442 HydrophobicContact CD2-CD1 3.86Å; L286-L442 HydrophobicContact CD2-CD2 4.34Å; L286-L442 HydrophobicContact CD2-CG 4.23Å; Q438-L442 WeakPolarHBondContact O-CB 3.49Å; Q438-L442 WeakPolarHBondContact O-CG 3.4Å; Q438-L442 PolarHBondContact O-N 3.41Å; S439-L442 PolarHBondContact O-N 3.13Å; L442-G445 PolarHBondContact O-N 3.45Å; L442-S446 VanDerWaalsContact O-CB 3.3Å; L442-S446 WeakPolarHBondContact O-CB 3.37Å; L442-S446 PolarHBondContact O-N 3.12Å; L442-S446 PolarHBondContact O-OG 3.02Å; L442-L450 HydrophobicContact CB-CD1 3.68Å; L442-L450 HydrophobicContact CB-CD2 4.09Å; L442-L527 HydrophobicContact CD2-CD1 4.14Å; L442-L527 HydrophobicContact CD2-CD2 3.93Å; L442-L527 HydrophobicContact CG-CD1 4.49Å; L442-Y625 WeakPolarHBondContact CD2-OH 3.41Å; L442-Q658 HydrophobicContact CD1-CB 4.04Å; L442-H659 HydrophobicContact CD1-CB 4.43Å
443Q89.6Confident83.2Confident45 Ų4525.4 Ų25.421%0.2116%0.156CC..Hα-helixtrans-64-43.6177.4-171178.321.400111.7S439 L440 L441 S446 G447 G448 L450S439-Q443 WeakPolarHBondContact O-CB 3.36Å; S439-Q443 PolarHBondContact O-N 3.39Å; L440-Q443 PolarHBondContact O-N 2.9Å; L441-Q443 PolarHBondContact O-N 3.38Å; Q443-S446 WeakPolarHBondContact CA-OG 3.28Å; Q443-S446 PolarHBondContact O-OG 3.48Å; Q443-S446 VanDerWaalsContact O-OG 3.05Å; Q443-G447 PolarHBondContact O-N 3.04Å; Q443-G448 WeakPolarHBondContact O-CA 3.29Å; Q443-G448 PolarHBondContact O-N 3.02Å; Q443-L450 HydrophobicContact CB-CB 4.19Å; Q443-L450 HydrophobicContact CB-CD2 4.13Å; Q443-L450 HydrophobicContact CG-CB 4.23Å
444S89Confident81.4Confident13 Ų1330.9 Ų30.99%0.09118%0.179CC..Hα-helixtrans-63.7-46.2176178.30000111.9L440 L441 G447 C487 G488 L490 H528L440-S444 WeakPolarHBondContact O-CB 3.07Å; L440-S444 PolarHBondContact O-N 2.94Å; L441-S444 PolarHBondContact O-N 3.17Å; S444-G447 PolarHBondContact O-N 2.94Å; S444-C487 WeakPolarHBondContact O-CA 3.33Å; S444-G488 PolarHBondContact O-N 2.81Å; S444-G488 PolarHBondContact OG-O 2.93Å; S444-L490 WeakPolarHBondContact OG-CB 3.41Å; S444-H528 PolarHBondContact OG-CE1 3.34Å; S444-H528 PolarHBondContact OG-NE2 3.3Å; S444-H528 VanDerWaalsContact OG-NE2 3.08Å
445G87.2Confident79.2Confident0 Ų036.5 Ų36.50%021%0.213CC..Hα-helixtrans-65.8-35.6179.400000113.5L441 L442 G447 N626L441-G445 PolarHBondContact O-N 3.37Å; L442-G445 PolarHBondContact O-N 3.45Å; G445-G447 PolarHBondContact O-N 3.25Å; G445-N626 VanDerWaalsContact O-CB 3.22Å; G445-N626 WeakPolarHBondContact O-CB 3.42Å; G445-N626 PolarHBondContact O-ND2 2.9Å
446S84.4Confident76.5Confident0 Ų035.8 Ų35.80%023%0.231CC..THydrogen-bonded Turntrans-77.8-1.5177.258.60000114.4L442 Q443 L450 H630L442-S446 VanDerWaalsContact O-CB 3.3Å; L442-S446 WeakPolarHBondContact O-CB 3.37Å; L442-S446 PolarHBondContact O-N 3.12Å; L442-S446 PolarHBondContact O-OG 3.02Å; Q443-S446 WeakPolarHBondContact CA-OG 3.28Å; Q443-S446 PolarHBondContact O-OG 3.48Å; Q443-S446 VanDerWaalsContact O-OG 3.05Å; S446-L450 PolarHBondContact OG-N 3.49Å; S446-H630 PolarHBondContact O-NE2 3.2Å
447G81.9Confident73.5Confident18 Ų1839.4 Ų39.419%0.18625%0.247CC..THydrogen-bonded Turntrans71.332.5-176.200000113.2Q443 S444 G445 A449 S486 N626Q443-G447 PolarHBondContact O-N 3.04Å; S444-G447 PolarHBondContact O-N 2.94Å; G445-G447 PolarHBondContact O-N 3.25Å; G447-A449 VanDerWaalsContact C-N 3.32Å; G447-A449 PolarHBondContact O-N 2.91Å; G447-S486 WeakPolarHBondContact CA-O 3.37Å; G447-N626 PolarHBondContact N-ND2 2.93Å
448G78.5Confident70.5Confident41 Ų4144.4 Ų44.442%0.42328%0.279SS..THydrogen-bonded Turntrans84.4-1.4179.500000115.1Q443 L450Q443-G448 WeakPolarHBondContact O-CA 3.29Å; Q443-G448 PolarHBondContact O-N 3.02Å; G448-L450 VanDerWaalsContact C-N 3.3Å; G448-L450 PolarHBondContact O-N 2.82Å
449A73.7Confident67.5Low29 Ų2949 Ų4924%0.2431%0.312CS..  trans-92.126.2-174.500000114.3G447 H629 H630G447-A449 VanDerWaalsContact C-N 3.32Å; G447-A449 PolarHBondContact O-N 2.91Å; A449-H629 PolarHBondContact O-CE1 2.96Å; A449-H630 WeakPolarHBondContact CB-CE1 3.39Å
450L79.8Confident64.6Low9 Ų955.5 Ų55.55%0.04734%0.343CS..SBendtrans-69.3161.2176.7-151.276.5000110.9L442 Q443 S446 G448 I452 Q658L442-L450 HydrophobicContact CB-CD1 3.68Å; L442-L450 HydrophobicContact CB-CD2 4.09Å; Q443-L450 HydrophobicContact CB-CB 4.19Å; Q443-L450 HydrophobicContact CB-CD2 4.13Å; Q443-L450 HydrophobicContact CG-CB 4.23Å; S446-L450 PolarHBondContact OG-N 3.49Å; G448-L450 VanDerWaalsContact C-N 3.3Å; G448-L450 PolarHBondContact O-N 2.82Å; L450-I452 PolarHBondContact O-N 3Å; L450-I452 VanDerWaalsContact O-N 3.08Å; L450-Q658 HydrophobicContact CD2-CB 4.09Å; L450-Q658 HydrophobicContact CD2-CG 4.02Å; L450-Q658 HydrophobicContact CG-CB 4.43Å
451A74.8Confident61.8Low2 Ų259 Ų592%0.01736%0.362CS..SBendtrans-61.8-12.1176.900000115.7S635 N636 W637 A640 N641 G657A451-S635 PolarHBondContact N-OG 3.05Å; A451-N636 WeakPolarHBondContact CB-O 3.44Å; A451-W637 WeakPolarHBondContact O-CZ3 3.45Å; A451-A640 HydrophobicContact CB-CB 3.57Å; A451-A640 WeakPolarHBondContact O-CB 3.39Å; A451-N641 PolarHBondContact O-ND2 3.43Å; A451-G657 WeakPolarHBondContact CB-O 3.28Å
452I64.5Low58.9Low64 Ų6466 Ų6633%0.32840%0.399SS..SBendtrans-104.2118.7174.7-57.9-178.1000107.6L450 A640 Q658L450-I452 PolarHBondContact O-N 3Å; L450-I452 VanDerWaalsContact O-N 3.08Å; I452-A640 HydrophobicContact CG1-CB 4.13Å; I452-Q658 HydrophobicContact CD1-CG 4.05Å; I452-Q658 HydrophobicContact CG1-CG 4.4Å
453G53.2Low56Low22 Ų2273.7 Ų73.723%0.22744%0.441CS..  trans-73.4157.9-175.500000110.9V455G453-V455 PolarHBondContact O-N 3.07Å
454Q45.4Very low53.3Low177 Ų17779 Ų7983%0.82747%0.47SS*.  trans-55.8112159-71.9-179-32.500106.9G456Q454-G456 PolarHBondContact O-N 3.04Å
455V37.8Very low50.6Low120 Ų12085.9 Ų85.973%0.72751%0.506SS*.  trans-6191.3174.8178.40000107.1G453 I457G453-V455 PolarHBondContact O-N 3.07Å; V455-I457 VanDerWaalsContact C-N 3.31Å; V455-I457 HydrophobicContact CG1-CG1 3.8Å; V455-I457 PolarHBondContact O-N 3.05Å
456G28.5Very low48Very low65 Ų6593.9 Ų93.967%0.6755%0.549SS*.  trans-70.6101144.600000104.9Q454 P458Q454-G456 PolarHBondContact O-N 3.04Å; G456-P458 WeakPolarHBondContact O-CD 3.31Å; G456-P458 VanDerWaalsContact O-N 3.09Å
457I25.7Very low45.4Very low136 Ų13697 Ų9770%0.69758%0.582SS**  trans-49.5115.8170.2-60.5169.1000105.9V455 S459V455-I457 VanDerWaalsContact C-N 3.31Å; V455-I457 HydrophobicContact CG1-CG1 3.8Å; V455-I457 PolarHBondContact O-N 3.05Å; I457-S459 PolarHBondContact O-N 3.43Å
458P27.9Very low42.9Very low105 Ų105104.2 Ų104.268%0.68262%0.616SS**  trans-63.7123165.6-2.618.1000104.9G456 I460G456-P458 WeakPolarHBondContact O-CD 3.31Å; G456-P458 VanDerWaalsContact O-N 3.09Å; P458-I460 PolarHBondContact O-N 2.68Å
459S28.3Very low40.7Very low103 Ų103107.4 Ų107.472%0.7263%0.632SS**  trans-44.8111.1165.739.30000107.8I457 D461I457-S459 PolarHBondContact O-N 3.43Å; S459-D461 PolarHBondContact O-N 3.15Å
460I29.5Very low38.6Very low157 Ų157114.1 Ų114.181%0.80566%0.663SS**  trans-64.497.9160.7-66.1162.4000103P458P458-I460 PolarHBondContact O-N 2.68Å
461D32.4Very low36.1Very low132 Ų132118.2 Ų118.271%0.70670%0.699SS**  trans-158.1133.8156.1-82.4-36.5000107.1S459S459-D461 PolarHBondContact O-N 3.15Å
462D32.3Very low33.8Very low146 Ų146122.5 Ų122.578%0.78173%0.734SS**  trans81.670.6164.6-49.6-28.1000117.7D464D462-D464 PolarHBondContact O-N 2.99Å
463D31.6Very low32Very low163 Ų163125.6 Ų125.687%0.87275%0.751SS**  trans-69.1100.4135.9-79-39000107
464D32.4Very low30.9Very low156 Ų156129.6 Ų129.683%0.83478%0.776SS**  trans165100.8151.6-84.5-24.8000107.6D462D462-D464 PolarHBondContact O-N 2.99Å
465D32.8Very low30Very low158 Ų158128.8 Ų128.885%0.84577%0.77SS**  178.2126.1120.3-147.82.9000110.7G467D465-G467 PolarHBondContact O-N 3.48Å
466D31.8Very low29.5Very low168 Ų168133.8 Ų133.890%0.89878%0.775SS**  trans-69.7113168.9-84.2-47.4000108.8
467G31.1Very low29.3Very low66 Ų66140 Ų14068%0.6878%0.784SS**  trans-155.679.1-171.900000114.5D465 S469D465-G467 PolarHBondContact O-N 3.48Å; G467-S469 PolarHBondContact O-N 3.06Å
468D29.9Very low29.4Very low170 Ų170142.3 Ų142.391%0.90979%0.789SS**  trans-37.3110.1166.4-148.46.1000113.2
469S31Very low29.2Very low108 Ų108142.7 Ų142.776%0.75579%0.79SS**  trans-168.4128.7152.451.50000114.2G467 A471G467-S469 PolarHBondContact O-N 3.06Å; S469-A471 PolarHBondContact O-N 3.28Å
470N29.4Very low29.3Very low169 Ų169143.5 Ų143.590%0.90479%0.793SS**  trans-54.1121.1172.9-69.2-59.5000113.2
471A27.1Very low29.8Very low95 Ų95140.4 Ų140.479%0.78578%0.781SS**  trans-152.6105.8159.800000113.4S469S469-A471 PolarHBondContact O-N 3.28Å
472A27.8Very low30.3Very low92 Ų92138.6 Ų138.676%0.7678%0.779SS**  trans4395.4144.900000119.4S474A472-S474 VanDerWaalsContact C-N 3.34Å; A472-S474 PolarHBondContact O-N 3.26Å
473D27.2Very low31.1Very low129 Ų129136.2 Ų136.269%0.6977%0.765SS**  trans15.666.1131.7-147.622000116K475D473-K475 PolarHBondContact O-N 3.31Å; D473-K475 WeakPolarHBondContact OD2-CE 3.37Å; D473-K475 IonicContact OD2-NZ 3.3Å; D473-K475 PolarHBondContact OD2-NZ 3Å
474S28.5Very low31.9Very low107 Ų107128.5 Ų128.575%0.74872%0.724SS**  trans-7573.1167.162.40000108.8A472 R476A472-S474 VanDerWaalsContact C-N 3.34Å; A472-S474 PolarHBondContact O-N 3.26Å; S474-R476 PolarHBondContact O-N 2.91Å
475K27.4Very low33.1Very low159 Ų159122.2 Ų122.269%0.69170%0.696SS**  trans-59.290.4160.2-78.9174.5-177.9155.20107.1D473 K477D473-K475 PolarHBondContact O-N 3.31Å; D473-K475 WeakPolarHBondContact OD2-CE 3.37Å; D473-K475 IonicContact OD2-NZ 3.3Å; D473-K475 PolarHBondContact OD2-NZ 3Å; K475-K477 PolarHBondContact O-N 3.42Å
476R27.3Very low34.3Very low225 Ų225118.3 Ų118.385%0.84968%0.681SS**  trans-53.393.6162.6-76.5-176179.1179.50106.3S474 F478S474-R476 PolarHBondContact O-N 2.91Å; R476-F478 VanDerWaalsContact C-N 3.29Å; R476-F478 PolarHBondContact O-N 3.34Å
477K23.3Very low35.8Very low195 Ų195110.5 Ų110.585%0.84864%0.639SS**  trans-59.7101.4165.3-86.4179.2174.5175.70105K475 T479K475-K477 PolarHBondContact O-N 3.42Å; K477-T479 PolarHBondContact O-N 3.48Å
478F27.7Very low37.6Very low186 Ų186108.7 Ų108.782%0.81662%0.621SS**  trans-56.198.7159.9-101.8-92.8000105.9R476 P480R476-F478 VanDerWaalsContact C-N 3.29Å; R476-F478 PolarHBondContact O-N 3.34Å; F478-P480 VanDerWaalsContact O-CD 3.29Å; F478-P480 WeakPolarHBondContact O-CD 3.45Å
479T25.1Very low39.6Very low113 Ų113105.6 Ų105.669%0.69360%0.604SS**  trans-62.5116158.943.40000105K477 V481K477-T479 PolarHBondContact O-N 3.48Å; T479-V481 PolarHBondContact O-N 3.43Å
480P30.4Very low41.7Very low119 Ų119102.1 Ų102.177%0.77358%0.577SS**  trans-55118172.222.7-30.2000106.1F478 S482F478-P480 VanDerWaalsContact O-CD 3.29Å; F478-P480 WeakPolarHBondContact O-CD 3.45Å; P480-S482 PolarHBondContact O-N 2.85Å
481V39.7Very low43.9Very low93 Ų9394 Ų9456%0.56453%0.534SS*.  trans-49.5121.8168.6176.70000104.7T479 I483T479-V481 PolarHBondContact O-N 3.43Å; V481-I483 PolarHBondContact O-N 3.4Å
482S42.9Very low46.4Very low94 Ų9492.6 Ų92.666%0.65751%0.513SS*.  trans-43.5116.4173.9158.60000107.2P480 G484P480-S482 PolarHBondContact O-N 2.85Å; S482-G484 CarbonylContact O-C 3.6Å; S482-G484 PolarHBondContact O-N 3.26Å
483I48.2Very low49.2Very low95 Ų9591.3 Ų91.349%0.48750%0.496SS..SBendtrans-43.6113.8-175.1-70.3172000108.6V481 K622 H630V481-I483 PolarHBondContact O-N 3.4Å; I483-K622 PolarHBondContact O-NZ 3.1Å; I483-H630 HydrophobicContact CG2-CB 3.79Å
484G50.1Low52Low2 Ų288.2 Ų88.22%0.02148%0.479CS..SBendtrans73.388.8-177.500000115.5S482 K622 N626 H630S482-G484 CarbonylContact O-C 3.6Å; S482-G484 PolarHBondContact O-N 3.26Å; G484-K622 WeakPolarHBondContact O-CD 3.41Å; G484-K622 WeakPolarHBondContact O-CE 3.32Å; G484-K622 PolarHBondContact O-NZ 2.7Å; G484-N626 WeakPolarHBondContact CA-OD1 3.38Å; G484-H630 VanDerWaalsContact CA-CD2 3.42Å; G484-H630 WeakPolarHBondContact CA-CD2 3.39Å; G484-H630 WeakPolarHBondContact CA-NE2 3.19Å; G484-H630 PolarHBondContact N-CD2 2.68Å; G484-H630 VanDerWaalsContact N-CD2 3.34Å
485G55.9Low54.7Low23 Ų2389 Ų8924%0.23748%0.475CS..PPolyproline II helixtrans-62.4164.7158.100000111.8C487 N626G485-C487 PolarHBondContact O-N 2.79Å; G485-N626 PolarHBondContact O-ND2 3.12Å
486S59.5Low57.7Low77 Ų7782 Ų8254%0.53845%0.445SS..PPolyproline II helixtrans-59.7130.9176.2-174.50000110.4G447 G488G447-S486 WeakPolarHBondContact CA-O 3.37Å; S486-G488 PolarHBondContact O-N 3.38Å
487C62.8Low60.8Low3 Ų373.9 Ų73.92%0.0242%0.419CS..PPolyproline II helixtrans-60135.6174.4-58.30000110.1S444 G485 R620 S623 N626S444-C487 WeakPolarHBondContact O-CA 3.33Å; G485-C487 PolarHBondContact O-N 2.79Å; C487-R620 PolarHBondContact O-NH1 3.37Å; C487-S623 PolarHBondContact SG-N 3.35Å; C487-S623 VanDerWaalsContact SG-N 3.41Å; C487-S623 PolarHBondContact SG-OG 3.07Å; C487-N626 PolarHBondContact SG-ND2 3.42Å
488G67.9Low64.1Low29 Ų2964.6 Ų64.630%0.29938%0.378SS..PPolyproline II helixtrans-66147.9178.100000111.9S444 S486 L490 H528 R620S444-G488 PolarHBondContact O-N 2.81Å; S444-G488 PolarHBondContact OG-O 2.93Å; S486-G488 PolarHBondContact O-N 3.38Å; G488-L490 PolarHBondContact O-N 3.08Å; G488-H528 PolarHBondContact O-CE1 2.95Å; G488-R620 VanDerWaalsContact C-NH1 3.3Å; G488-R620 PolarHBondContact O-NH1 2.97Å
489N72.1Confident67.2Low104 Ų10455.7 Ų55.756%0.55634%0.339SS*.G310 helixtrans-729.8-174.2-65.7-2.2000114.3A491 D492 V493N489-A491 PolarHBondContact O-N 3.31Å; N489-D492 PolarHBondContact O-N 3.24Å; N489-V493 WeakPolarHBondContact O-CG2 3.49Å
490L76.3Confident70.3Confident35 Ų3556.4 Ų56.418%0.18333%0.329CS..G310 helixtrans-54.7-32.1-174.9-15967.9000112.7L440 L441 S444 G488 D492 V493 P498L440-L490 HydrophobicContact CB-CD2 3.88Å; L440-L490 WeakPolarHBondContact O-CD2 3.32Å; L441-L490 HydrophobicContact CD2-CD2 3.99Å; L441-L490 HydrophobicContact CG-CD2 4.5Å; S444-L490 WeakPolarHBondContact OG-CB 3.41Å; G488-L490 PolarHBondContact O-N 3.08Å; L490-D492 PolarHBondContact O-N 3.11Å; L490-D492 VanDerWaalsContact O-N 3.12Å; L490-V493 PolarHBondContact O-N 3.06Å; L490-P498 HydrophobicContact CD2-CG 4.11Å
491A75.2Confident73.1Confident0 Ų051 Ų510%029%0.294CS..G310 helixtrans-60.4-22.1-179.700000114.9N489 N524 H528 L535 R620N489-A491 PolarHBondContact O-N 3.31Å; A491-N524 VanDerWaalsContact CA-OD1 3.23Å; A491-N524 WeakPolarHBondContact CA-OD1 3.47Å; A491-N524 WeakPolarHBondContact CB-OD1 3.34Å; A491-N524 PolarHBondContact O-ND2 3.15Å; A491-H528 HydrophobicContact CB-CB 3.52Å; A491-L535 WeakPolarHBondContact O-CD2 3.34Å; A491-R620 VanDerWaalsContact CB-NH2 3.3Å
492D79.8Confident75.5Confident65 Ų6546.6 Ų46.635%0.34827%0.267SS..G310 helixtrans-116.40.2-174.7-53.2-48.7000111.6N489 L490 L494 G532 R620N489-D492 PolarHBondContact O-N 3.24Å; L490-D492 PolarHBondContact O-N 3.11Å; L490-D492 VanDerWaalsContact O-N 3.12Å; D492-L494 PolarHBondContact O-N 3.46Å; D492-G532 WeakPolarHBondContact OD1-CA 3.42Å; D492-G532 PolarHBondContact OD1-N 3.14Å; D492-R620 IonicContact OD2-CZ 3.58Å; D492-R620 IonicContact OD2-NE 3.64Å; D492-R620 IonicContact OD2-NH2 2.77Å; D492-R620 PolarHBondContact OD2-NH2 2.96Å
493V86.3Confident77.7Confident64 Ų6444.1 Ų44.139%0.38825%0.246SC..  trans-94.499.5-177.4179.60000109.3N489 L490 N495 S496N489-V493 WeakPolarHBondContact O-CG2 3.49Å; L490-V493 PolarHBondContact O-N 3.06Å; V493-N495 PolarHBondContact O-N 2.86Å; V493-S496 WeakPolarHBondContact O-CB 3.44Å; V493-S496 PolarHBondContact O-N 3.41Å; V493-S496 PolarHBondContact O-OG 3.25Å
494L85Confident79.6Confident65 Ų6543 Ų4334%0.3424%0.239SC..THydrogen-bonded Turntrans-54.8-37.8177.7-171.669.9000112.8D492 S496 M499 I503 L535 V538 M539D492-L494 PolarHBondContact O-N 3.46Å; L494-S496 PolarHBondContact O-N 3.22Å; L494-M499 WeakPolarHBondContact O-CB 3.18Å; L494-I503 HydrophobicContact CD1-CD1 3.45Å; L494-I503 VanDerWaalsContact CD1-CD1 3.45Å; L494-I503 HydrophobicContact CG-CD1 4.15Å; L494-L535 HydrophobicContact CB-CD1 4.33Å; L494-L535 HydrophobicContact CD1-CD1 3.34Å; L494-L535 HydrophobicContact CG-CD1 4.46Å; L494-V538 HydrophobicContact CD1-CB 4.38Å; L494-V538 HydrophobicContact CD1-CG1 3.8Å; L494-M539 HydrophobicContact CD1-CE 4.38Å
495N86.6Confident81.3Confident124 Ų12443.1 Ų43.166%0.66324%0.238SC*.THydrogen-bonded Turntrans-82.32.2-178.3-65.8-20.8000114V493 R500V493-N495 PolarHBondContact O-N 2.86Å; N495-R500 WeakPolarHBondContact O-CD 3.21Å; N495-R500 PolarHBondContact O-NE 3.39Å
496S90.4Very high82.7Confident10 Ų1042 Ų427%0.0723%0.227CC..SBendtrans-64.4150.5176.265.40000110.7V493 L494 M499 R500V493-S496 WeakPolarHBondContact O-CB 3.44Å; V493-S496 PolarHBondContact O-N 3.41Å; V493-S496 PolarHBondContact O-OG 3.25Å; L494-S496 PolarHBondContact O-N 3.22Å; S496-M499 PolarHBondContact O-N 2.86Å; S496-M499 WeakPolarHBondContact OG-CB 3.15Å; S496-M499 VanDerWaalsContact OG-CG 3.31Å; S496-M499 WeakPolarHBondContact OG-CG 3.26Å; S496-R500 WeakPolarHBondContact O-CB 3.35Å; S496-R500 WeakPolarHBondContact O-CG 3.25Å; S496-R500 PolarHBondContact O-N 3.36Å
497L91.5Very high83.8Confident55 Ų5542.2 Ų42.229%0.28823%0.225SC..Hα-helixtrans-51.9-48.3178.8177.169.7000112.6T436 L440 M499 R500 L501T436-L497 HydrophobicContact CG2-CD2 3.74Å; L440-L497 HydrophobicContact CD1-CB 4.06Å; L440-L497 HydrophobicContact CD1-CD2 3.88Å; L497-M499 PolarHBondContact O-N 2.67Å; L497-R500 PolarHBondContact O-N 2.92Å; L497-L501 VanDerWaalsContact O-CB 3.3Å; L497-L501 WeakPolarHBondContact O-CB 3.26Å; L497-L501 PolarHBondContact O-N 3.14Å
498P92.4Very high84.2Confident0 Ų045.5 Ų45.50%025%0.246CC..Hα-helixtrans-61.8-40.9180-21.232.5000113.4A437 L440 L441 L490 A502A437-P498 HydrophobicContact CB-CB 3.88Å; A437-P498 HydrophobicContact CB-CG 3.97Å; L440-P498 HydrophobicContact CB-CG 4.27Å; L441-P498 HydrophobicContact CD1-CB 4Å; L441-P498 HydrophobicContact CD1-CG 4.48Å; L441-P498 HydrophobicContact CD2-CB 4.05Å; L441-P498 HydrophobicContact CD2-CG 4.11Å; L441-P498 HydrophobicContact CG-CB 3.89Å; L441-P498 HydrophobicContact CG-CG 3.88Å; L490-P498 HydrophobicContact CD2-CG 4.11Å; P498-A502 WeakPolarHBondContact O-CB 3.29Å; P498-A502 PolarHBondContact O-N 3.29Å
499M92.6Very high83.9Confident0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-76.7-35.5-177.4-63.6-59.197.200111.9L494 S496 L497 A502 I503 N524 L535 M539L494-M499 WeakPolarHBondContact O-CB 3.18Å; S496-M499 PolarHBondContact O-N 2.86Å; S496-M499 WeakPolarHBondContact OG-CB 3.15Å; S496-M499 VanDerWaalsContact OG-CG 3.31Å; S496-M499 WeakPolarHBondContact OG-CG 3.26Å; L497-M499 PolarHBondContact O-N 2.67Å; M499-A502 PolarHBondContact O-N 3.37Å; M499-I503 WeakPolarHBondContact O-CD1 3.47Å; M499-I503 VanDerWaalsContact O-CG1 3.25Å; M499-I503 WeakPolarHBondContact O-CG1 3.37Å; M499-I503 PolarHBondContact O-N 3.47Å; M499-N524 HydrophobicContact CE-CB 3.82Å; M499-N524 WeakPolarHBondContact CE-ND2 3.35Å; M499-N524 PolarHBondContact SD-ND2 2.98Å; M499-N524 VanDerWaalsContact SD-ND2 3.36Å; M499-L535 HydrophobicContact CG-CD2 4.17Å; M499-L535 HydrophobicContact SD-CD2 3.89Å; M499-M539 HydrophobicContact CB-CE 3.87Å; M499-M539 HydrophobicContact CG-CE 4.22Å; M499-M539 HydrophobicContact SD-CE 3.63Å
500R90.8Very high83.2Confident127 Ų12750.9 Ų50.948%0.47926%0.259SS..Hα-helixtrans-61.6-46.4170.3-74-169.8-64.1113.1-0.3111.5N495 S496 L497 A502 I503 E504N495-R500 WeakPolarHBondContact O-CD 3.21Å; N495-R500 PolarHBondContact O-NE 3.39Å; S496-R500 WeakPolarHBondContact O-CB 3.35Å; S496-R500 WeakPolarHBondContact O-CG 3.25Å; S496-R500 PolarHBondContact O-N 3.36Å; L497-R500 PolarHBondContact O-N 2.92Å; R500-A502 VanDerWaalsContact C-N 3.35Å; R500-I503 PolarHBondContact O-N 2.84Å; R500-E504 WeakPolarHBondContact O-CB 3.32Å; R500-E504 PolarHBondContact O-N 3.44Å
501L89.3Confident82.2Confident6 Ų650.1 Ų50.13%0.03126%0.26CS..Hα-helixtrans-62.4-43.2178.2-176.261.3000111.3D433 A437 L497 E504 W505 L520D433-L501 HydrophobicContact CB-CD2 3.93Å; A437-L501 HydrophobicContact CB-CD2 4.13Å; L497-L501 VanDerWaalsContact O-CB 3.3Å; L497-L501 WeakPolarHBondContact O-CB 3.26Å; L497-L501 PolarHBondContact O-N 3.14Å; L501-E504 PolarHBondContact O-N 2.84Å; L501-W505 HydrophobicContact CD1-CD2 4.15Å; L501-W505 HydrophobicContact CD1-CH2 4.41Å; L501-W505 HydrophobicContact CD1-CZ2 3.79Å; L501-W505 HydrophobicContact CD2-CH2 3.8Å; L501-W505 HydrophobicContact CD2-CZ2 3.94Å; L501-W505 HydrophobicContact CD2-CZ3 4.21Å; L501-W505 HydrophobicContact CG-CD2 4.07Å; L501-W505 HydrophobicContact CG-CE3 4.16Å; L501-W505 HydrophobicContact CG-CH2 4Å; L501-W505 HydrophobicContact CG-CZ2 3.89Å; L501-W505 HydrophobicContact CG-CZ3 4.14Å; L501-W505 PolarHBondContact O-N 3.33Å; L501-L520 HydrophobicContact CB-CD1 4.24Å; L501-L520 HydrophobicContact CD2-CD1 3.87Å; L501-L520 HydrophobicContact CG-CD1 4.04Å
502A90.3Very high81.6Confident0 Ų056.6 Ų56.60%030%0.295CS..Hα-helixtrans-59.9-48.3174.900000111.9P498 M499 R500 E504 W505 L506 L520 V521P498-A502 WeakPolarHBondContact O-CB 3.29Å; P498-A502 PolarHBondContact O-N 3.29Å; M499-A502 PolarHBondContact O-N 3.37Å; R500-A502 VanDerWaalsContact C-N 3.35Å; A502-E504 VanDerWaalsContact C-N 3.33Å; A502-E504 PolarHBondContact O-N 3.23Å; A502-W505 PolarHBondContact O-N 3.3Å; A502-L506 WeakPolarHBondContact O-CB 3.42Å; A502-L506 WeakPolarHBondContact O-CG 3.28Å; A502-L506 PolarHBondContact O-N 3.3Å; A502-L520 HydrophobicContact CB-CB 4.17Å; A502-L520 HydrophobicContact CB-CD1 4.44Å; A502-V521 HydrophobicContact CB-CG2 3.82Å
503I89.2Confident81.5Confident42 Ų4255.2 Ų55.222%0.21529%0.286CS..Hα-helixtrans-62.5-42.3178.1-69.4163.5000111.1L494 M499 R500 W505 L506 T507 M539L494-I503 HydrophobicContact CD1-CD1 3.45Å; L494-I503 VanDerWaalsContact CD1-CD1 3.45Å; L494-I503 HydrophobicContact CG-CD1 4.15Å; M499-I503 WeakPolarHBondContact O-CD1 3.47Å; M499-I503 VanDerWaalsContact O-CG1 3.25Å; M499-I503 WeakPolarHBondContact O-CG1 3.37Å; M499-I503 PolarHBondContact O-N 3.47Å; R500-I503 PolarHBondContact O-N 2.84Å; I503-W505 VanDerWaalsContact C-N 3.35Å; I503-W505 PolarHBondContact O-N 3.07Å; I503-L506 PolarHBondContact O-N 2.95Å; I503-T507 HydrophobicContact CG2-CG2 4.15Å; I503-T507 WeakPolarHBondContact O-CB 2.98Å; I503-T507 VanDerWaalsContact O-CG2 3.31Å; I503-T507 WeakPolarHBondContact O-CG2 3.43Å; I503-T507 PolarHBondContact O-N 3.13Å; I503-T507 PolarHBondContact O-OG1 3.46Å; I503-M539 HydrophobicContact CD1-CE 3.77Å; I503-M539 HydrophobicContact CG1-CE 3.64Å; I503-M539 HydrophobicContact CG1-SD 3.93Å
504E87.3Confident81.2Confident71 Ų7153.4 Ų53.433%0.33227%0.274SS..Hα-helixtrans-57.3-49.7176.5-171.4-175.3154.600110.4R430 R500 L501 A502 L506 T507 T508R430-E504 IonicContact CZ-OE1 2.8Å; R430-E504 VanDerWaalsContact CZ-OE1 3.23Å; R430-E504 IonicContact CZ-OE2 2.8Å; R430-E504 IonicContact NH1-OE1 3.14Å; R430-E504 PolarHBondContact NH1-OE1 3.09Å; R430-E504 IonicContact NH1-OE2 2.65Å; R430-E504 IonicContact NH2-OE1 3.71Å; R430-E504 PolarHBondContact NH2-OE1 2.9Å; R430-E504 IonicContact NH2-OE2 3.84Å; R430-E504 PolarHBondContact NH2-OE2 3.04Å; R500-E504 WeakPolarHBondContact O-CB 3.32Å; R500-E504 PolarHBondContact O-N 3.44Å; L501-E504 PolarHBondContact O-N 2.84Å; A502-E504 VanDerWaalsContact C-N 3.33Å; A502-E504 PolarHBondContact O-N 3.23Å; E504-L506 PolarHBondContact O-N 3.17Å; E504-T507 PolarHBondContact O-N 2.98Å; E504-T507 PolarHBondContact O-OG1 3.46Å; E504-T508 HydrophobicContact CG-CG2 3.87Å; E504-T508 WeakPolarHBondContact O-CB 3.2Å; E504-T508 WeakPolarHBondContact O-CG2 3.21Å; E504-T508 PolarHBondContact O-N 3.47Å; E504-T508 PolarHBondContact O-OG1 3.29Å
505W86.1Confident81.2Confident5 Ų551.8 Ų51.82%0.01927%0.265CS..Hα-helixtrans-66-34.7178.2-70.8-23.4000114.3L434 L501 A502 I503 T507 H513 D516 L520L434-W505 HydrophobicContact CB-CH2 3.91Å; L434-W505 HydrophobicContact CD1-CH2 3.86Å; L434-W505 HydrophobicContact CD1-CZ3 3.95Å; L434-W505 HydrophobicContact CD2-CH2 4.39Å; L434-W505 HydrophobicContact CG-CH2 4.24Å; L501-W505 HydrophobicContact CD1-CD2 4.15Å; L501-W505 HydrophobicContact CD1-CH2 4.41Å; L501-W505 HydrophobicContact CD1-CZ2 3.79Å; L501-W505 HydrophobicContact CD2-CH2 3.8Å; L501-W505 HydrophobicContact CD2-CZ2 3.94Å; L501-W505 HydrophobicContact CD2-CZ3 4.21Å; L501-W505 HydrophobicContact CG-CD2 4.07Å; L501-W505 HydrophobicContact CG-CE3 4.16Å; L501-W505 HydrophobicContact CG-CH2 4Å; L501-W505 HydrophobicContact CG-CZ2 3.89Å; L501-W505 HydrophobicContact CG-CZ3 4.14Å; L501-W505 PolarHBondContact O-N 3.33Å; A502-W505 PolarHBondContact O-N 3.3Å; I503-W505 VanDerWaalsContact C-N 3.35Å; I503-W505 PolarHBondContact O-N 3.07Å; W505-T507 VanDerWaalsContact C-N 3.35Å; W505-H513 HydrophobicContact CB-CB 3.97Å; W505-H513 HydrophobicContact CG-CB 4.19Å; W505-D516 HydrophobicContact CD2-CB 4.23Å; W505-D516 VanDerWaalsContact CE3-C 3.47Å; W505-D516 HydrophobicContact CE3-CB 3.65Å; W505-D516 HydrophobicContact CH2-CB 4.33Å; W505-D516 HydrophobicContact CZ3-CB 3.7Å; W505-L520 HydrophobicContact CE3-CD1 4.04Å; W505-L520 HydrophobicContact CH2-CD1 4.32Å; W505-L520 HydrophobicContact CZ3-CD1 3.54Å; W505-L520 HydrophobicContact CZ3-CG 4.17Å
506L85.3Confident81.1Confident1 Ų146.1 Ų46.11%0.00524%0.235CC..Hα-helixtrans-68.6-33.5174.6-68171.9000112A502 I503 E504 L514 M539 A542 I543 A546A502-L506 WeakPolarHBondContact O-CB 3.42Å; A502-L506 WeakPolarHBondContact O-CG 3.28Å; A502-L506 PolarHBondContact O-N 3.3Å; I503-L506 PolarHBondContact O-N 2.95Å; E504-L506 PolarHBondContact O-N 3.17Å; L506-L514 HydrophobicContact CD2-CD1 3.61Å; L506-M539 HydrophobicContact CD1-SD 4.28Å; L506-A542 HydrophobicContact CB-CB 4.41Å; L506-A542 HydrophobicContact CD1-CB 4.08Å; L506-I543 HydrophobicContact CD1-CG1 4.02Å; L506-I543 HydrophobicContact CD2-CG1 3.89Å; L506-A546 WeakPolarHBondContact O-CB 3.46Å
507T82.7Confident81Confident80 Ų8045.6 Ų45.649%0.49123%0.231SC..Hα-helixtrans-102.5-38.4-16956.20000114.9I503 E504 W505I503-T507 HydrophobicContact CG2-CG2 4.15Å; I503-T507 WeakPolarHBondContact O-CB 2.98Å; I503-T507 VanDerWaalsContact O-CG2 3.31Å; I503-T507 WeakPolarHBondContact O-CG2 3.43Å; I503-T507 PolarHBondContact O-N 3.13Å; I503-T507 PolarHBondContact O-OG1 3.46Å; E504-T507 PolarHBondContact O-N 2.98Å; E504-T507 PolarHBondContact O-OG1 3.46Å; W505-T507 VanDerWaalsContact C-N 3.35Å
508T71.4Confident80.9Confident73 Ų7343.1 Ų43.145%0.44822%0.218SC..Hα-helixtrans-84-29.3-167.357.40000114.2E504E504-T508 HydrophobicContact CG-CG2 3.87Å; E504-T508 WeakPolarHBondContact O-CB 3.2Å; E504-T508 WeakPolarHBondContact O-CG2 3.21Å; E504-T508 PolarHBondContact O-N 3.47Å; E504-T508 PolarHBondContact O-OG1 3.29Å
509H60.3Low80.9Confident69 Ų6943.2 Ų43.232%0.31922%0.219SC..THydrogen-bonded Turntrans-102.722.7-170.4-65.4-69.9000113.8G511 D512 H513H509-G511 PolarHBondContact O-N 3.3Å; H509-D512 HydrophobicContact CB-CB 4.23Å; H509-D512 WeakPolarHBondContact O-CB 3.46Å; H509-D512 PolarHBondContact O-N 3.27Å; H509-H513 HydrophobicContact CB-CB 4.49Å; H509-H513 AromaticContact CD2-CD2 3.46Å; H509-H513 PolarHBondContact CD2-CD2 3.48Å; H509-H513 VanDerWaalsContact CD2-CD2 3.46Å; H509-H513 AromaticContact CG-CD2 3.49Å; H509-H513 VanDerWaalsContact CG-CD2 3.49Å; H509-H513 AromaticContact ND1-CD2 3.98Å; H509-H513 AromaticContact NE2-CD2 3.95Å
510H57.5Low80.9Confident176 Ų17643.2 Ų43.282%0.81522%0.219SC*.THydrogen-bonded Turntrans50.629.5-179.1-60.7-68.9000114.4
511G56.6Low81Confident20 Ų2037.2 Ų37.221%0.20620%0.196CC..THydrogen-bonded Turntrans89.2-3.3-17800000116H509 H513 L514H509-G511 PolarHBondContact O-N 3.3Å; G511-H513 PolarHBondContact O-N 3.11Å; G511-L514 WeakPolarHBondContact O-CB 3.29Å; G511-L514 PolarHBondContact O-N 3.44Å
512D62Low81.3Confident136 Ų13637 Ų3773%0.72720%0.195SC*.THydrogen-bonded Turntrans-59.5-31.3179-68.4-20.5000112.3H509H509-D512 HydrophobicContact CB-CB 4.23Å; H509-D512 WeakPolarHBondContact O-CB 3.46Å; H509-D512 PolarHBondContact O-N 3.27Å
513H77.2Confident81.6Confident35 Ų3537 Ų3716%0.16220%0.195CC..THydrogen-bonded Turntrans-108.321.3176.1-68.2-75.9000113.3W505 H509 G511 I515 D516 G517W505-H513 HydrophobicContact CB-CB 3.97Å; W505-H513 HydrophobicContact CG-CB 4.19Å; H509-H513 HydrophobicContact CB-CB 4.49Å; H509-H513 AromaticContact CD2-CD2 3.46Å; H509-H513 PolarHBondContact CD2-CD2 3.48Å; H509-H513 VanDerWaalsContact CD2-CD2 3.46Å; H509-H513 AromaticContact CG-CD2 3.49Å; H509-H513 VanDerWaalsContact CG-CD2 3.49Å; H509-H513 AromaticContact ND1-CD2 3.98Å; H509-H513 AromaticContact NE2-CD2 3.95Å; G511-H513 PolarHBondContact O-N 3.11Å; H513-I515 PolarHBondContact O-N 2.61Å; H513-I515 VanDerWaalsContact O-N 3.17Å; H513-D516 HydrophobicContact CB-CB 4.5Å; H513-D516 IonicContact CE1-OD2 3.47Å; H513-D516 IonicContact CG-OD2 2.69Å; H513-D516 IonicContact ND1-OD2 2.89Å; H513-D516 PolarHBondContact ND1-OD2 3.22Å; H513-D516 PolarHBondContact O-N 2.86Å; H513-D516 VanDerWaalsContact O-N 3.07Å; H513-G517 PolarHBondContact O-N 2.98Å
514L81.4Confident81.8Confident26 Ų2635 Ų3514%0.13619%0.185CC..Hα-helixtrans-49.7-44.6178.9174.969.5000111.8L506 G511 G517 L518 I543 A546 A547L506-L514 HydrophobicContact CD2-CD1 3.61Å; G511-L514 WeakPolarHBondContact O-CB 3.29Å; G511-L514 PolarHBondContact O-N 3.44Å; L514-G517 PolarHBondContact O-N 3.03Å; L514-L518 VanDerWaalsContact O-CB 3.25Å; L514-L518 WeakPolarHBondContact O-CB 3.06Å; L514-L518 PolarHBondContact O-N 2.72Å; L514-I543 HydrophobicContact CD1-CG2 4.28Å; L514-A546 HydrophobicContact CD1-CB 4.17Å; L514-A547 HydrophobicContact CD1-CB 4.33Å; L514-A547 HydrophobicContact CD2-CB 3.69Å
515I83.4Confident82.1Confident32 Ų3231.6 Ų31.616%0.16417%0.169CC..Hα-helixtrans-70-35.8-175.8-60.4169.7000111.2H513 L518 R519 R803 L806 Q807H513-I515 PolarHBondContact O-N 2.61Å; H513-I515 VanDerWaalsContact O-N 3.17Å; I515-L518 PolarHBondContact O-N 3.38Å; I515-R519 VanDerWaalsContact O-CB 3.25Å; I515-R519 WeakPolarHBondContact O-CB 3.42Å; I515-R519 PolarHBondContact O-N 3.07Å; I515-R803 HydrophobicContact CG2-CB 4.07Å; I515-R803 HydrophobicContact CG2-CG 3.81Å; I515-L806 HydrophobicContact CG2-CB 4.44Å; I515-L806 HydrophobicContact CG2-CD1 3.93Å; I515-Q807 HydrophobicContact CD1-CG 3.68Å
516D84.7Confident82.5Confident4 Ų432.6 Ų32.62%0.02118%0.175CC..Hα-helixtrans-71.2-40179.4-57.2-39.9000110.6W505 H513 R519 L520 R803W505-D516 HydrophobicContact CD2-CB 4.23Å; W505-D516 VanDerWaalsContact CE3-C 3.47Å; W505-D516 HydrophobicContact CE3-CB 3.65Å; W505-D516 HydrophobicContact CH2-CB 4.33Å; W505-D516 HydrophobicContact CZ3-CB 3.7Å; H513-D516 HydrophobicContact CB-CB 4.5Å; H513-D516 IonicContact CE1-OD2 3.47Å; H513-D516 IonicContact CG-OD2 2.69Å; H513-D516 IonicContact ND1-OD2 2.89Å; H513-D516 PolarHBondContact ND1-OD2 3.22Å; H513-D516 PolarHBondContact O-N 2.86Å; H513-D516 VanDerWaalsContact O-N 3.07Å; D516-R519 WeakPolarHBondContact O-CB 3.34Å; D516-R519 PolarHBondContact O-N 3.45Å; D516-R519 IonicContact OD1-CZ 2.72Å; D516-R519 IonicContact OD1-NH1 3.54Å; D516-R519 IonicContact OD1-NH2 3.62Å; D516-L520 PolarHBondContact O-N 3.36Å; D516-R803 IonicContact OD1-CZ 2.75Å; D516-R803 IonicContact OD1-NE 2.62Å; D516-R803 IonicContact OD1-NH2 3.47Å; D516-R803 PolarHBondContact OD1-NH2 3.44Å; D516-R803 VanDerWaalsContact OD1-NH2 3.14Å; D516-R803 IonicContact OD2-NH2 3.61Å; D516-R803 PolarHBondContact OD2-NH2 3.35Å
517G88.5Confident82.9Confident0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-61.1-48.7171.100000111.5H513 L514 R519 L520 V521H513-G517 PolarHBondContact O-N 2.98Å; L514-G517 PolarHBondContact O-N 3.03Å; G517-R519 VanDerWaalsContact C-N 3.3Å; G517-R519 PolarHBondContact O-N 3.21Å; G517-L520 PolarHBondContact O-N 2.74Å; G517-V521 WeakPolarHBondContact O-CG2 3.13Å; G517-V521 PolarHBondContact O-N 3.22Å; G517-V521 VanDerWaalsContact O-N 3.15Å
518L90.2Very high83.3Confident3 Ų328.8 Ų28.82%0.01615%0.152CC..Hα-helixtrans-61.6-37.3177.6-174.664.5000112.5L514 I515 L520 V521 A522 I543 M554 L558 L564 L806L514-L518 VanDerWaalsContact O-CB 3.25Å; L514-L518 WeakPolarHBondContact O-CB 3.06Å; L514-L518 PolarHBondContact O-N 2.72Å; I515-L518 PolarHBondContact O-N 3.38Å; L518-L520 PolarHBondContact O-N 3.46Å; L518-V521 PolarHBondContact O-N 2.99Å; L518-A522 VanDerWaalsContact O-CB 3.25Å; L518-A522 WeakPolarHBondContact O-CB 3.26Å; L518-A522 PolarHBondContact O-N 3.49Å; L518-I543 HydrophobicContact CD1-CD1 3.81Å; L518-M554 HydrophobicContact CD2-CE 3.48Å; L518-M554 VanDerWaalsContact CD2-CE 3.48Å; L518-L558 HydrophobicContact CD1-CD1 3.93Å; L518-L558 HydrophobicContact CD2-CD1 3.68Å; L518-L558 HydrophobicContact CG-CD1 4.27Å; L518-L564 HydrophobicContact CD1-CD2 3.9Å; L518-L806 HydrophobicContact CB-CD1 4.35Å; L518-L806 HydrophobicContact CD2-CB 4.23Å; L518-L806 HydrophobicContact CD2-CD1 4.18Å; L518-L806 HydrophobicContact CD2-CD2 4.04Å; L518-L806 HydrophobicContact CD2-CG 4.38Å; L518-L806 HydrophobicContact CG-CD1 4.17Å; L518-L806 HydrophobicContact CG-CD2 4.18Å
519R91.9Very high84.2Confident2 Ų226.7 Ų26.71%0.00814%0.138CC..Hα-helixtrans-57.2-47.1175.9-178.6-164.9-68168.6-7.3111.3L285 E297 I515 D516 G517 L523 S802 L806L285-R519 HydrophobicContact CD2-CG 4.16Å; E297-R519 IonicContact OE2-NH2 3.47Å; E297-R519 PolarHBondContact OE2-NH2 2.88Å; I515-R519 VanDerWaalsContact O-CB 3.25Å; I515-R519 WeakPolarHBondContact O-CB 3.42Å; I515-R519 PolarHBondContact O-N 3.07Å; D516-R519 WeakPolarHBondContact O-CB 3.34Å; D516-R519 PolarHBondContact O-N 3.45Å; D516-R519 IonicContact OD1-CZ 2.72Å; D516-R519 IonicContact OD1-NH1 3.54Å; D516-R519 IonicContact OD1-NH2 3.62Å; G517-R519 VanDerWaalsContact C-N 3.3Å; G517-R519 PolarHBondContact O-N 3.21Å; R519-L523 WeakPolarHBondContact O-CB 3.43Å; R519-L523 PolarHBondContact O-N 3.45Å; R519-S802 PolarHBondContact NE-OG 2.94Å; R519-S802 PolarHBondContact NH2-OG 3.5Å; R519-L806 HydrophobicContact CB-CD1 4.07Å
520L92.4Very high85.7Confident0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-66.1-42177.9-79.2177.5000112.6L434 A437 Q438 L441 L501 A502 W505 D516 G517 L518 L523 N524L434-L520 HydrophobicContact CD1-CD1 4.15Å; L434-L520 HydrophobicContact CD1-CD2 3.65Å; L434-L520 HydrophobicContact CD1-CG 3.81Å; A437-L520 HydrophobicContact CB-CD1 4.27Å; A437-L520 HydrophobicContact CB-CD2 3.9Å; Q438-L520 HydrophobicContact CG-CD2 4.09Å; L441-L520 HydrophobicContact CD1-CD2 4.08Å; L501-L520 HydrophobicContact CB-CD1 4.24Å; L501-L520 HydrophobicContact CD2-CD1 3.87Å; L501-L520 HydrophobicContact CG-CD1 4.04Å; A502-L520 HydrophobicContact CB-CB 4.17Å; A502-L520 HydrophobicContact CB-CD1 4.44Å; W505-L520 HydrophobicContact CE3-CD1 4.04Å; W505-L520 HydrophobicContact CH2-CD1 4.32Å; W505-L520 HydrophobicContact CZ3-CD1 3.54Å; W505-L520 HydrophobicContact CZ3-CG 4.17Å; D516-L520 PolarHBondContact O-N 3.36Å; G517-L520 PolarHBondContact O-N 2.74Å; L518-L520 PolarHBondContact O-N 3.46Å; L520-L523 PolarHBondContact O-N 3.36Å; L520-N524 WeakPolarHBondContact O-CB 3.3Å; L520-N524 PolarHBondContact O-N 2.91Å
521V93.9Very high87.3Confident0 Ų015 Ų150%08%0.084CC..Hα-helixtrans-64.7-44.2178.1-179.60000110.3A502 G517 L518 N524 C525 L531 M539 L564A502-V521 HydrophobicContact CB-CG2 3.82Å; G517-V521 WeakPolarHBondContact O-CG2 3.13Å; G517-V521 PolarHBondContact O-N 3.22Å; G517-V521 VanDerWaalsContact O-N 3.15Å; L518-V521 PolarHBondContact O-N 2.99Å; V521-N524 WeakPolarHBondContact O-CB 3.31Å; V521-N524 PolarHBondContact O-N 3.24Å; V521-C525 WeakPolarHBondContact O-CB 3.07Å; V521-C525 PolarHBondContact O-N 2.77Å; V521-L531 HydrophobicContact CG1-CD1 3.55Å; V521-M539 HydrophobicContact CG1-CB 4.29Å; V521-M539 HydrophobicContact CG1-CG 4.22Å; V521-M539 HydrophobicContact CG2-CE 4.47Å; V521-M539 HydrophobicContact CG2-CG 4.26Å; V521-M539 HydrophobicContact CG2-SD 3.72Å; V521-L564 HydrophobicContact CG1-CD1 3.5Å; V521-L564 VanDerWaalsContact CG1-CD1 3.5Å
522A94.9Very high88.9Confident1 Ų114.8 Ų14.81%0.0088%0.082CC..Hα-helixtrans-64.9-43177.400000111.9L285 L518 N524 C525 V526 L563 L806L285-A522 HydrophobicContact CD1-CB 4.1Å; L285-A522 HydrophobicContact CD2-CB 4.28Å; L518-A522 VanDerWaalsContact O-CB 3.25Å; L518-A522 WeakPolarHBondContact O-CB 3.26Å; L518-A522 PolarHBondContact O-N 3.49Å; A522-N524 VanDerWaalsContact C-N 3.34Å; A522-N524 PolarHBondContact O-N 3.5Å; A522-C525 WeakPolarHBondContact O-CB 3.4Å; A522-C525 PolarHBondContact O-N 3.03Å; A522-V526 WeakPolarHBondContact O-CG2 3.47Å; A522-V526 PolarHBondContact O-N 3.14Å; A522-L563 WeakPolarHBondContact CA-O 3.39Å; A522-L563 HydrophobicContact CB-CB 4.47Å; A522-L563 WeakPolarHBondContact CB-O 3.43Å; A522-L806 HydrophobicContact CB-CD2 4.39Å
523L95.7Very high90.2Very high0 Ų012.4 Ų12.40%07%0.069CC..Hα-helixtrans-60.2-45.4175.6-179.862.7000111.1V282 L285 L286 Q438 L441 R519 L520 C525 V526 L527V282-L523 HydrophobicContact CG1-CD1 4.13Å; L285-L523 HydrophobicContact CB-CB 4.28Å; L285-L523 HydrophobicContact CB-CD1 4.11Å; L285-L523 HydrophobicContact CD1-CB 4.36Å; L286-L523 HydrophobicContact CD2-CD1 4.2Å; L286-L523 HydrophobicContact CD2-CD2 3.78Å; Q438-L523 HydrophobicContact CB-CD2 4.1Å; Q438-L523 HydrophobicContact CG-CD2 3.68Å; L441-L523 HydrophobicContact CD1-CB 4.38Å; L441-L523 HydrophobicContact CD1-CD2 3.99Å; L441-L523 HydrophobicContact CD1-CG 4.19Å; R519-L523 WeakPolarHBondContact O-CB 3.43Å; R519-L523 PolarHBondContact O-N 3.45Å; L520-L523 PolarHBondContact O-N 3.36Å; L523-C525 VanDerWaalsContact C-N 3.32Å; L523-C525 PolarHBondContact O-N 3.27Å; L523-V526 PolarHBondContact O-N 3.45Å; L523-L527 HydrophobicContact CD1-CD1 3.76Å; L523-L527 HydrophobicContact CD1-CD2 4.45Å; L523-L527 HydrophobicContact CD1-CG 3.97Å; L523-L527 HydrophobicContact CD2-CD1 4.46Å; L523-L527 HydrophobicContact CG-CD1 3.73Å; L523-L527 HydrophobicContact CG-CG 4.33Å; L523-L527 WeakPolarHBondContact O-CB 3.32Å; L523-L527 WeakPolarHBondContact O-CG 3.08Å; L523-L527 PolarHBondContact O-N 2.87Å
524N94.8Very high90.9Very high0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-58.7-45.2175.5-174.324000111.5L441 A491 M499 L520 V521 A522 V526 L527 H528 L531L441-N524 HydrophobicContact CD1-CB 4.21Å; L441-N524 HydrophobicContact CD2-CB 3.67Å; A491-N524 VanDerWaalsContact CA-OD1 3.23Å; A491-N524 WeakPolarHBondContact CA-OD1 3.47Å; A491-N524 WeakPolarHBondContact CB-OD1 3.34Å; A491-N524 PolarHBondContact O-ND2 3.15Å; M499-N524 HydrophobicContact CE-CB 3.82Å; M499-N524 WeakPolarHBondContact CE-ND2 3.35Å; M499-N524 PolarHBondContact SD-ND2 2.98Å; M499-N524 VanDerWaalsContact SD-ND2 3.36Å; L520-N524 WeakPolarHBondContact O-CB 3.3Å; L520-N524 PolarHBondContact O-N 2.91Å; V521-N524 WeakPolarHBondContact O-CB 3.31Å; V521-N524 PolarHBondContact O-N 3.24Å; A522-N524 VanDerWaalsContact C-N 3.34Å; A522-N524 PolarHBondContact O-N 3.5Å; N524-V526 PolarHBondContact O-N 3.46Å; N524-L527 PolarHBondContact O-N 2.91Å; N524-H528 WeakPolarHBondContact O-CB 3.43Å; N524-H528 PolarHBondContact O-N 3.43Å; N524-H528 VanDerWaalsContact O-N 3.12Å; N524-H528 PolarHBondContact OD1-CD2 2.62Å; N524-L531 HydrophobicContact CB-CD2 4.2Å; N524-L531 WeakPolarHBondContact ND2-CD2 3.36Å
525C94Very high91.3Very high0 Ų017.5 Ų17.50%09%0.092CC..Hα-helixtrans-58-49.4177.5-165.40000111.9V521 A522 L523 H528 D529 G530 L531 L563 Y565V521-C525 WeakPolarHBondContact O-CB 3.07Å; V521-C525 PolarHBondContact O-N 2.77Å; A522-C525 WeakPolarHBondContact O-CB 3.4Å; A522-C525 PolarHBondContact O-N 3.03Å; L523-C525 VanDerWaalsContact C-N 3.32Å; L523-C525 PolarHBondContact O-N 3.27Å; C525-H528 PolarHBondContact O-N 3.06Å; C525-D529 PolarHBondContact O-N 3.2Å; C525-G530 PolarHBondContact O-N 2.8Å; C525-G530 VanDerWaalsContact SG-CA 3.54Å; C525-L531 HydrophobicContact CB-CD2 4.27Å; C525-L531 HydrophobicContact CB-CG 4.27Å; C525-L563 WeakPolarHBondContact CB-O 3.42Å; C525-Y565 VanDerWaalsContact SG-CD1 3.54Å; C525-Y565 VanDerWaalsContact SG-CE1 3.57Å; C525-Y565 PolarHBondContact SG-N 3.16Å
526V94Very high91.8Very high26 Ų2617.3 Ų17.316%0.1589%0.09CC..Hα-helixtrans-67-39-178.91750000112.2V282 L285 A522 L523 N524 H528 L563V282-V526 HydrophobicContact CG2-CG1 3.56Å; L285-V526 HydrophobicContact CD1-CG2 4.29Å; A522-V526 WeakPolarHBondContact O-CG2 3.47Å; A522-V526 PolarHBondContact O-N 3.14Å; L523-V526 PolarHBondContact O-N 3.45Å; N524-V526 PolarHBondContact O-N 3.46Å; V526-H528 VanDerWaalsContact C-N 3.27Å; V526-H528 PolarHBondContact O-N 3.47Å; V526-L563 HydrophobicContact CG2-CD2 4.02Å
527L93.3Very high92.2Very high0 Ų022.7 Ų22.70%012%0.115CC..Hα-helixtrans-72.7-23.9-178.9-67.1173.4000113.1V282 L441 L442 L523 N524 S623 Y625V282-L527 HydrophobicContact CG1-CD2 4.03Å; V282-L527 HydrophobicContact CG2-CD2 3.8Å; L441-L527 HydrophobicContact CB-CD1 3.76Å; L442-L527 HydrophobicContact CD2-CD1 4.14Å; L442-L527 HydrophobicContact CD2-CD2 3.93Å; L442-L527 HydrophobicContact CG-CD1 4.49Å; L523-L527 HydrophobicContact CD1-CD1 3.76Å; L523-L527 HydrophobicContact CD1-CD2 4.45Å; L523-L527 HydrophobicContact CD1-CG 3.97Å; L523-L527 HydrophobicContact CD2-CD1 4.46Å; L523-L527 HydrophobicContact CG-CD1 3.73Å; L523-L527 HydrophobicContact CG-CG 4.33Å; L523-L527 WeakPolarHBondContact O-CB 3.32Å; L523-L527 WeakPolarHBondContact O-CG 3.08Å; L523-L527 PolarHBondContact O-N 2.87Å; N524-L527 PolarHBondContact O-N 2.91Å; L527-S623 WeakPolarHBondContact O-CB 3.37Å; L527-S623 PolarHBondContact O-OG 2.97Å; L527-Y625 HydrophobicContact CB-CD1 4.39Å; L527-Y625 HydrophobicContact CD2-CD1 3.44Å; L527-Y625 VanDerWaalsContact CD2-CD1 3.44Å; L527-Y625 HydrophobicContact CD2-CD2 3.54Å; L527-Y625 HydrophobicContact CD2-CE1 3.49Å; L527-Y625 VanDerWaalsContact CD2-CE1 3.49Å; L527-Y625 HydrophobicContact CD2-CE2 3.58Å; L527-Y625 HydrophobicContact CD2-CG 3.46Å; L527-Y625 VanDerWaalsContact CD2-CG 3.46Å
528H91.2Very high92.4Very high1 Ų124.1 Ų24.11%0.00512%0.123CC..Hα-helixtrans-118.17.9-172.6-72.2-77.7000114.2S444 G488 A491 N524 C525 V526 R567S444-H528 PolarHBondContact OG-CE1 3.34Å; S444-H528 PolarHBondContact OG-NE2 3.3Å; S444-H528 VanDerWaalsContact OG-NE2 3.08Å; G488-H528 PolarHBondContact O-CE1 2.95Å; A491-H528 HydrophobicContact CB-CB 3.52Å; N524-H528 WeakPolarHBondContact O-CB 3.43Å; N524-H528 PolarHBondContact O-N 3.43Å; N524-H528 VanDerWaalsContact O-N 3.12Å; N524-H528 PolarHBondContact OD1-CD2 2.62Å; C525-H528 PolarHBondContact O-N 3.06Å; V526-H528 VanDerWaalsContact C-N 3.27Å; V526-H528 PolarHBondContact O-N 3.47Å; H528-R567 PolarHBondContact O-NH1 2.93Å; H528-R567 PolarHBondContact O-NH2 3.1Å
529D90.8Very high92.4Very high30 Ų3024 Ų2416%0.1612%0.123CC..THydrogen-bonded Turntrans58.452.1-177.9-56.7-21.2000112.7C525 Y565 L570 S623 R624C525-D529 PolarHBondContact O-N 3.2Å; D529-Y565 WeakPolarHBondContact CA-OH 3.32Å; D529-L570 HydrophobicContact CB-CD1 3.82Å; D529-L570 HydrophobicContact CB-CD2 4.5Å; D529-S623 WeakPolarHBondContact OD2-CA 3.35Å; D529-S623 WeakPolarHBondContact OD2-CB 3.41Å; D529-R624 PolarHBondContact OD1-N 3.32Å; D529-R624 PolarHBondContact OD2-N 3Å
530G91.6Very high92.4Very high0 Ų024.6 Ų24.60%013%0.128CC..SBendtrans103.3164.5179.400000114.1C525 Y565 R567C525-G530 PolarHBondContact O-N 2.8Å; C525-G530 VanDerWaalsContact SG-CA 3.54Å; G530-Y565 PolarHBondContact N-OH 3.28Å; G530-R567 PolarHBondContact O-NH2 2.76Å
531L91.4Very high92.3Very high0 Ų031.2 Ų31.20%015%0.152CC..BIsolated β-bridgetrans-95148.2171.9-57.7177.4000110.1V521 N524 C525 L535 L564 Y565 R567V521-L531 HydrophobicContact CG1-CD1 3.55Å; N524-L531 HydrophobicContact CB-CD2 4.2Å; N524-L531 WeakPolarHBondContact ND2-CD2 3.36Å; C525-L531 HydrophobicContact CB-CD2 4.27Å; C525-L531 HydrophobicContact CB-CG 4.27Å; L531-L535 HydrophobicContact CD2-CD2 4.22Å; L531-L564 HydrophobicContact CD1-CD1 3.74Å; L531-Y565 PolarHBondContact N-O 3.43Å; L531-Y565 VanDerWaalsContact N-O 3.07Å; L531-R567 VanDerWaalsContact O-CB 3.25Å; L531-R567 WeakPolarHBondContact O-CB 3.41Å; L531-R567 PolarHBondContact O-N 3.36Å
532G89.5Confident92.1Very high15 Ų1531.8 Ų31.816%0.15516%0.157CC..  trans-56.3146.6167.100000111.3D492 E534 L535 Y536D492-G532 WeakPolarHBondContact OD1-CA 3.42Å; D492-G532 PolarHBondContact OD1-N 3.14Å; G532-E534 VanDerWaalsContact C-N 3.31Å; G532-E534 PolarHBondContact O-N 2.5Å; G532-L535 PolarHBondContact O-N 2.73Å; G532-Y536 PolarHBondContact O-N 3.43Å
533D90Very high91.8Very high85 Ų8532 Ų3246%0.45516%0.158SC..Hα-helixtrans-57.2-43.1-170-59.4-53.9000112.4L535 Y536 E537 P566 S568D533-L535 PolarHBondContact O-N 3.44Å; D533-Y536 PolarHBondContact O-N 2.86Å; D533-E537 WeakPolarHBondContact O-CG 3.39Å; D533-E537 PolarHBondContact O-N 3.48Å; D533-P566 WeakPolarHBondContact OD1-CB 3.42Å; D533-S568 VanDerWaalsContact OD1-CB 3.24Å; D533-S568 WeakPolarHBondContact OD1-CB 3.28Å; D533-S568 PolarHBondContact OD1-OG 3.09Å
534E90.6Very high91.4Very high163 Ų16334.4 Ų34.476%0.76217%0.171SC*.Hα-helixtrans-61.2-45.3176.8-174.3-179.2179.100112.2G532 E537 V538G532-E534 VanDerWaalsContact C-N 3.31Å; G532-E534 PolarHBondContact O-N 2.5Å; E534-E537 PolarHBondContact O-N 2.64Å; E534-V538 VanDerWaalsContact O-CG2 3.31Å; E534-V538 WeakPolarHBondContact O-CG2 3.32Å; E534-V538 PolarHBondContact O-N 2.89Å
535L91.4Very high91Very high6 Ų641.6 Ų41.63%0.03120%0.204CC..Hα-helixtrans-67.8-40179-176.365.9000111.4A491 L494 M499 L531 G532 D533 E537 V538 M539A491-L535 WeakPolarHBondContact O-CD2 3.34Å; L494-L535 HydrophobicContact CB-CD1 4.33Å; L494-L535 HydrophobicContact CD1-CD1 3.34Å; L494-L535 HydrophobicContact CG-CD1 4.46Å; M499-L535 HydrophobicContact CG-CD2 4.17Å; M499-L535 HydrophobicContact SD-CD2 3.89Å; L531-L535 HydrophobicContact CD2-CD2 4.22Å; G532-L535 PolarHBondContact O-N 2.73Å; D533-L535 PolarHBondContact O-N 3.44Å; L535-E537 VanDerWaalsContact C-N 3.34Å; L535-E537 PolarHBondContact O-N 3.33Å; L535-V538 PolarHBondContact O-N 2.8Å; L535-M539 HydrophobicContact CD1-CE 3.59Å; L535-M539 HydrophobicContact CD1-CG 4.16Å; L535-M539 HydrophobicContact CG-CE 4.36Å; L535-M539 HydrophobicContact CG-CG 4.19Å; L535-M539 WeakPolarHBondContact O-CB 3.37Å; L535-M539 VanDerWaalsContact O-CG 3.24Å; L535-M539 WeakPolarHBondContact O-CG 3.29Å; L535-M539 PolarHBondContact O-N 3.4Å
536Y93Very high90.5Very high27 Ų2742.9 Ų42.911%0.10621%0.214CC..Hα-helixtrans-57.5-48.2175.5177.4-95000110.9G532 D533 V538 M539 S540 L564 P566G532-Y536 PolarHBondContact O-N 3.43Å; D533-Y536 PolarHBondContact O-N 2.86Å; Y536-V538 VanDerWaalsContact C-N 3.35Å; Y536-V538 PolarHBondContact O-N 3.49Å; Y536-M539 PolarHBondContact O-N 3.3Å; Y536-S540 WeakPolarHBondContact O-CB 3.46Å; Y536-S540 PolarHBondContact O-N 2.84Å; Y536-L564 HydrophobicContact CD2-CD1 4.39Å; Y536-L564 HydrophobicContact CE2-CD1 4.37Å; Y536-L564 HydrophobicContact CE2-CG 4.14Å; Y536-P566 HydrophobicContact CD1-CB 3.96Å; Y536-P566 HydrophobicContact CD1-CG 4.2Å; Y536-P566 HydrophobicContact CD2-CB 4.27Å; Y536-P566 HydrophobicContact CE1-CB 4.48Å; Y536-P566 HydrophobicContact CE1-CG 4.23Å; Y536-P566 HydrophobicContact CG-CB 3.85Å; Y536-P566 HydrophobicContact CG-CG 4.38Å
537E92.5Very high89.9Confident118 Ų11843.4 Ų43.455%0.55122%0.221SC*.Hα-helixtrans-62.2-40.9177.9-70.8-57.1145.900112.2D533 E534 L535 R541D533-E537 WeakPolarHBondContact O-CG 3.39Å; D533-E537 PolarHBondContact O-N 3.48Å; E534-E537 PolarHBondContact O-N 2.64Å; L535-E537 VanDerWaalsContact C-N 3.34Å; L535-E537 PolarHBondContact O-N 3.33Å; E537-R541 WeakPolarHBondContact O-CB 3.43Å; E537-R541 PolarHBondContact O-N 2.95Å
538V92.9Very high89.4Confident29 Ų2944.9 Ų44.918%0.17624%0.237CC..Hα-helixtrans-63.7-46.4176.11740000111.3L494 E534 L535 Y536 A542L494-V538 HydrophobicContact CD1-CB 4.38Å; L494-V538 HydrophobicContact CD1-CG1 3.8Å; E534-V538 VanDerWaalsContact O-CG2 3.31Å; E534-V538 WeakPolarHBondContact O-CG2 3.32Å; E534-V538 PolarHBondContact O-N 2.89Å; L535-V538 PolarHBondContact O-N 2.8Å; Y536-V538 VanDerWaalsContact C-N 3.35Å; Y536-V538 PolarHBondContact O-N 3.49Å; V538-A542 WeakPolarHBondContact O-CB 3.27Å; V538-A542 PolarHBondContact O-N 3.49Å
539M91.4Very high88.9Confident0 Ų052.8 Ų52.80%027%0.274CS..Hα-helixtrans-69-44.9-178.8-68.5-64.7172.200112.1L494 M499 I503 L506 V521 L535 Y536 R541 A542 I543L494-M539 HydrophobicContact CD1-CE 4.38Å; M499-M539 HydrophobicContact CB-CE 3.87Å; M499-M539 HydrophobicContact CG-CE 4.22Å; M499-M539 HydrophobicContact SD-CE 3.63Å; I503-M539 HydrophobicContact CD1-CE 3.77Å; I503-M539 HydrophobicContact CG1-CE 3.64Å; I503-M539 HydrophobicContact CG1-SD 3.93Å; L506-M539 HydrophobicContact CD1-SD 4.28Å; V521-M539 HydrophobicContact CG1-CB 4.29Å; V521-M539 HydrophobicContact CG1-CG 4.22Å; V521-M539 HydrophobicContact CG2-CE 4.47Å; V521-M539 HydrophobicContact CG2-CG 4.26Å; V521-M539 HydrophobicContact CG2-SD 3.72Å; L535-M539 HydrophobicContact CD1-CE 3.59Å; L535-M539 HydrophobicContact CD1-CG 4.16Å; L535-M539 HydrophobicContact CG-CE 4.36Å; L535-M539 HydrophobicContact CG-CG 4.19Å; L535-M539 WeakPolarHBondContact O-CB 3.37Å; L535-M539 VanDerWaalsContact O-CG 3.24Å; L535-M539 WeakPolarHBondContact O-CG 3.29Å; L535-M539 PolarHBondContact O-N 3.4Å; Y536-M539 PolarHBondContact O-N 3.3Å; M539-R541 VanDerWaalsContact C-N 3.33Å; M539-R541 PolarHBondContact O-N 2.81Å; M539-A542 WeakPolarHBondContact O-CB 3.47Å; M539-A542 PolarHBondContact O-N 3.49Å; M539-A542 VanDerWaalsContact O-N 3.16Å; M539-I543 VanDerWaalsContact O-CG1 3.28Å; M539-I543 WeakPolarHBondContact O-CG1 3.43Å; M539-I543 PolarHBondContact O-N 2.77Å
540S91Very high88.2Confident16 Ų1656.9 Ų56.911%0.11229%0.294CS..Hα-helixtrans-57.5-47.7176.3-178.50000110.8Y536 A542 I543 I544Y536-S540 WeakPolarHBondContact O-CB 3.46Å; Y536-S540 PolarHBondContact O-N 2.84Å; S540-A542 PolarHBondContact O-N 3.29Å; S540-I543 PolarHBondContact O-N 2.63Å; S540-I544 VanDerWaalsContact O-CG1 3.29Å; S540-I544 WeakPolarHBondContact O-CG1 3.05Å; S540-I544 PolarHBondContact O-N 3.1Å
541R90.3Very high87.7Confident138 Ų13857.4 Ų57.452%0.52130%0.298SS..Hα-helixtrans-62.2-41.9175.2-179.9166.65290.64.4112.1E537 M539 I544 H545E537-R541 WeakPolarHBondContact O-CB 3.43Å; E537-R541 PolarHBondContact O-N 2.95Å; M539-R541 VanDerWaalsContact C-N 3.33Å; M539-R541 PolarHBondContact O-N 2.81Å; R541-I544 PolarHBondContact O-N 2.95Å; R541-H545 VanDerWaalsContact CG-CD2 3.47Å; R541-H545 WeakPolarHBondContact CG-CD2 3.42Å; R541-H545 WeakPolarHBondContact O-CB 3.49Å; R541-H545 PolarHBondContact O-CD2 3.39Å; R541-H545 PolarHBondContact O-N 3.09Å
542A89.9Confident87.4Confident13 Ų1363.8 Ų63.811%0.10733%0.325CS..Hα-helixtrans-61.6-43176.400000112.1L506 V538 M539 S540 H545 A546L506-A542 HydrophobicContact CB-CB 4.41Å; L506-A542 HydrophobicContact CD1-CB 4.08Å; V538-A542 WeakPolarHBondContact O-CB 3.27Å; V538-A542 PolarHBondContact O-N 3.49Å; M539-A542 WeakPolarHBondContact O-CB 3.47Å; M539-A542 PolarHBondContact O-N 3.49Å; M539-A542 VanDerWaalsContact O-N 3.16Å; S540-A542 PolarHBondContact O-N 3.29Å; A542-H545 PolarHBondContact O-N 3.37Å; A542-A546 WeakPolarHBondContact O-CB 3.29Å; A542-A546 PolarHBondContact O-N 3.37Å
543I88.6Confident87.2Confident4 Ų464.2 Ų64.22%0.02133%0.326CS..Hα-helixtrans-62.2-46.8176.4-68.1161000110.9L506 L514 L518 M539 S540 H545 A546 A547 L555 L564L506-I543 HydrophobicContact CD1-CG1 4.02Å; L506-I543 HydrophobicContact CD2-CG1 3.89Å; L514-I543 HydrophobicContact CD1-CG2 4.28Å; L518-I543 HydrophobicContact CD1-CD1 3.81Å; M539-I543 VanDerWaalsContact O-CG1 3.28Å; M539-I543 WeakPolarHBondContact O-CG1 3.43Å; M539-I543 PolarHBondContact O-N 2.77Å; S540-I543 PolarHBondContact O-N 2.63Å; I543-H545 VanDerWaalsContact C-N 3.33Å; I543-H545 PolarHBondContact O-N 3.19Å; I543-A546 PolarHBondContact O-N 3.05Å; I543-A547 PolarHBondContact O-N 2.88Å; I543-L555 HydrophobicContact CB-CD2 4.33Å; I543-L555 HydrophobicContact CD1-CD2 3.83Å; I543-L555 HydrophobicContact CG2-CD1 4.41Å; I543-L555 HydrophobicContact CG2-CD2 3.86Å; I543-L555 HydrophobicContact CG2-CG 4.33Å; I543-L564 HydrophobicContact CD1-CD2 3.79Å
544I87.3Confident87.1Confident52 Ų5261.3 Ų61.327%0.26731%0.31SS..Hα-helixtrans-64-38.7178.5-65.9165.8000111.2S540 R541 G548 Q549 L555S540-I544 VanDerWaalsContact O-CG1 3.29Å; S540-I544 WeakPolarHBondContact O-CG1 3.05Å; S540-I544 PolarHBondContact O-N 3.1Å; R541-I544 PolarHBondContact O-N 2.95Å; I544-G548 CarbonylContact O-C 3.52Å; I544-G548 WeakPolarHBondContact O-CA 3.33Å; I544-G548 PolarHBondContact O-N 2.87Å; I544-Q549 HydrophobicContact CG2-CG 4.48Å; I544-L555 HydrophobicContact CD1-CD1 3.95Å; I544-L555 HydrophobicContact CG1-CD1 3.73Å
545H85.9Confident87Confident151 Ų15153.9 Ų53.970%0.69928%0.275SS*.Hα-helixtrans-67.4-37175.1-82.8-67.3000112.7R541 A542 I543R541-H545 VanDerWaalsContact CG-CD2 3.47Å; R541-H545 WeakPolarHBondContact CG-CD2 3.42Å; R541-H545 WeakPolarHBondContact O-CB 3.49Å; R541-H545 PolarHBondContact O-CD2 3.39Å; R541-H545 PolarHBondContact O-N 3.09Å; A542-H545 PolarHBondContact O-N 3.37Å; I543-H545 VanDerWaalsContact C-N 3.33Å; I543-H545 PolarHBondContact O-N 3.19Å
546A84.4Confident86.9Confident26 Ų2659 Ų5922%0.21530%0.299CS..Hα-helixtrans-68.7-44.6-178.300000112.7L506 L514 A542 I543L506-A546 WeakPolarHBondContact O-CB 3.46Å; L514-A546 HydrophobicContact CD1-CB 4.17Å; A542-A546 WeakPolarHBondContact O-CB 3.29Å; A542-A546 PolarHBondContact O-N 3.37Å; I543-A546 PolarHBondContact O-N 3.05Å
547A80.6Confident86.8Confident37 Ų3758 Ų5831%0.30630%0.297SS..Hα-helixtrans-120.50.6-16900000114.3L514 I543 T551L514-A547 HydrophobicContact CD1-CB 4.33Å; L514-A547 HydrophobicContact CD2-CB 3.69Å; I543-A547 PolarHBondContact O-N 2.88Å; A547-T551 HydrophobicContact CB-CG2 3.33Å
548G82.3Confident86.8Confident31 Ų3152.5 Ų52.532%0.3227%0.271SS..  trans82.7174.8178.200000114.3I544 I550 T551I544-G548 CarbonylContact O-C 3.52Å; I544-G548 WeakPolarHBondContact O-CA 3.33Å; I544-G548 PolarHBondContact O-N 2.87Å; G548-I550 PolarHBondContact O-N 3.33Å; G548-I550 VanDerWaalsContact O-N 3.15Å; G548-T551 PolarHBondContact O-N 3.46Å; G548-T551 VanDerWaalsContact O-N 3.17Å; G548-T551 PolarHBondContact O-OG1 3.42Å
549Q81.3Confident86.8Confident168 Ų16852.3 Ų52.379%0.78527%0.271SS*.G310 helixtrans-63.5-19.3-177.7-68-178.9-10.200113.9I544 T551 F552I544-Q549 HydrophobicContact CG2-CG 4.48Å; Q549-T551 PolarHBondContact O-N 2.92Å; Q549-T551 VanDerWaalsContact O-N 3.09Å; Q549-F552 WeakPolarHBondContact O-CB 3.43Å; Q549-F552 PolarHBondContact O-N 3.28Å
550I76.9Confident86.7Confident115 Ų11555.9 Ų55.959%0.5930%0.296SS*.G310 helixtrans-61.9-16.4175.9-160.9170.5000112.6G548 F552 P553 M814G548-I550 PolarHBondContact O-N 3.33Å; G548-I550 VanDerWaalsContact O-N 3.15Å; I550-F552 VanDerWaalsContact C-N 3.34Å; I550-P553 VanDerWaalsContact O-CD 3.3Å; I550-P553 WeakPolarHBondContact O-CD 3.38Å; I550-M814 HydrophobicContact CD1-SD 3.85Å; I550-M814 HydrophobicContact CG1-SD 3.61Å
551T80.4Confident86.8Confident12 Ų1255.7 Ų55.77%0.07429%0.294CS..G310 helixtrans-80.3-8.2174.658.70000114.7A547 G548 Q549 M554 L555A547-T551 HydrophobicContact CB-CG2 3.33Å; G548-T551 PolarHBondContact O-N 3.46Å; G548-T551 VanDerWaalsContact O-N 3.17Å; G548-T551 PolarHBondContact O-OG1 3.42Å; Q549-T551 PolarHBondContact O-N 2.92Å; Q549-T551 VanDerWaalsContact O-N 3.09Å; T551-M554 WeakPolarHBondContact O-CA 3.3Å; T551-M554 VanDerWaalsContact O-CB 3.29Å; T551-M554 WeakPolarHBondContact O-CB 3.37Å; T551-M554 PolarHBondContact O-N 2.84Å; T551-L555 PolarHBondContact O-N 3.44Å
552F85Confident86.9Confident133 Ų13350.1 Ų50.158%0.58328%0.279SS*.Hα-helixtrans-55.2-45.2-179.5-174.1-93.8000113.5Q549 I550 M554 L555 E556Q549-F552 WeakPolarHBondContact O-CB 3.43Å; Q549-F552 PolarHBondContact O-N 3.28Å; I550-F552 VanDerWaalsContact C-N 3.34Å; F552-M554 VanDerWaalsContact C-N 3.28Å; F552-M554 PolarHBondContact O-N 3Å; F552-L555 PolarHBondContact O-N 3.39Å; F552-E556 PolarHBondContact O-N 3.44Å; F552-E556 VanDerWaalsContact O-N 3.09Å
553P86Confident87.1Confident25 Ų2549.5 Ų49.516%0.16227%0.274CS..Hα-helixtrans-61.9-35.4174.4-21.434.8000112.9I550 E556 A557 A813 N817I550-P553 VanDerWaalsContact O-CD 3.3Å; I550-P553 WeakPolarHBondContact O-CD 3.38Å; P553-E556 PolarHBondContact O-N 3.4Å; P553-A557 WeakPolarHBondContact O-CB 3.4Å; P553-A557 PolarHBondContact O-N 3.19Å; P553-A813 VanDerWaalsContact C-CB 3.47Å; P553-A813 HydrophobicContact CB-CB 3.62Å; P553-A813 VanDerWaalsContact O-CB 3.26Å; P553-A813 WeakPolarHBondContact O-CB 2.88Å; P553-N817 VanDerWaalsContact CG-ND2 3.31Å; P553-N817 WeakPolarHBondContact CG-ND2 3.11Å
554M87.1Confident87.3Confident24 Ų2449.3 Ų49.312%0.11827%0.273CS..Hα-helixtrans-64.9-43.5176.1177.7-178.6-174.200111.2L518 T551 F552 E556 A557 L558 L806L518-M554 HydrophobicContact CD2-CE 3.48Å; L518-M554 VanDerWaalsContact CD2-CE 3.48Å; T551-M554 WeakPolarHBondContact O-CA 3.3Å; T551-M554 VanDerWaalsContact O-CB 3.29Å; T551-M554 WeakPolarHBondContact O-CB 3.37Å; T551-M554 PolarHBondContact O-N 2.84Å; F552-M554 VanDerWaalsContact C-N 3.28Å; F552-M554 PolarHBondContact O-N 3Å; M554-E556 VanDerWaalsContact C-N 3.34Å; M554-E556 PolarHBondContact O-N 2.98Å; M554-A557 PolarHBondContact O-N 2.83Å; M554-L558 HydrophobicContact CE-CD1 4.26Å; M554-L558 HydrophobicContact CG-CD1 4.06Å; M554-L558 HydrophobicContact CG-CG 4.44Å; M554-L558 VanDerWaalsContact O-CG 3.23Å; M554-L558 WeakPolarHBondContact O-CG 3.44Å; M554-L558 PolarHBondContact O-N 2.7Å; M554-L806 WeakPolarHBondContact CE-O 3.44Å
555L88.7Confident87.6Confident7 Ų747.7 Ų47.74%0.03726%0.263CS..Hα-helixtrans-60.8-43.7176.2-70.7175.1000111.6I543 I544 T551 F552 L558 S559 L564I543-L555 HydrophobicContact CB-CD2 4.33Å; I543-L555 HydrophobicContact CD1-CD2 3.83Å; I543-L555 HydrophobicContact CG2-CD1 4.41Å; I543-L555 HydrophobicContact CG2-CD2 3.86Å; I543-L555 HydrophobicContact CG2-CG 4.33Å; I544-L555 HydrophobicContact CD1-CD1 3.95Å; I544-L555 HydrophobicContact CG1-CD1 3.73Å; T551-L555 PolarHBondContact O-N 3.44Å; F552-L555 PolarHBondContact O-N 3.39Å; L555-L558 PolarHBondContact O-N 3.04Å; L555-S559 WeakPolarHBondContact O-CB 3.34Å; L555-S559 PolarHBondContact O-N 3.22Å; L555-L564 HydrophobicContact CD2-CD2 3.51Å
556E88.9Confident87.9Confident112 Ų11240.8 Ų40.852%0.52323%0.232SC..Hα-helixtrans-64.9-41.5177-169.862.6-167.100111.7F552 P553 M554 L558 S559 S560F552-E556 PolarHBondContact O-N 3.44Å; F552-E556 VanDerWaalsContact O-N 3.09Å; P553-E556 PolarHBondContact O-N 3.4Å; M554-E556 VanDerWaalsContact C-N 3.34Å; M554-E556 PolarHBondContact O-N 2.98Å; E556-L558 PolarHBondContact O-N 3.26Å; E556-S559 WeakPolarHBondContact O-CB 3.37Å; E556-S559 PolarHBondContact O-N 2.84Å; E556-S560 PolarHBondContact O-N 3.48Å
557A91.3Very high88.1Confident8 Ų842.7 Ų42.77%0.06623%0.234CC..Hα-helixtrans-60.7-46.4174.600000111.6L157 P553 M554 S559 S560 L561 A809 A813L157-A557 HydrophobicContact CD1-CB 4.24Å; L157-A557 HydrophobicContact CD2-CB 3.83Å; P553-A557 WeakPolarHBondContact O-CB 3.4Å; P553-A557 PolarHBondContact O-N 3.19Å; M554-A557 PolarHBondContact O-N 2.83Å; A557-S559 VanDerWaalsContact C-N 3.3Å; A557-S559 PolarHBondContact O-N 3.18Å; A557-S560 PolarHBondContact O-N 3.29Å; A557-S560 PolarHBondContact O-OG 3.46Å; A557-L561 WeakPolarHBondContact O-CG 3.21Å; A557-L561 PolarHBondContact O-N 3.08Å; A557-A809 HydrophobicContact CB-CB 4.48Å; A557-A813 HydrophobicContact CB-CB 3.9Å
558L92.5Very high88.3Confident1 Ų144.8 Ų44.81%0.00525%0.246CC..Hα-helixtrans-63.8-35.5176.8-66.9169.1000112.6L518 M554 L555 E556 L561 G562 L563 L564 L806 A809L518-L558 HydrophobicContact CD1-CD1 3.93Å; L518-L558 HydrophobicContact CD2-CD1 3.68Å; L518-L558 HydrophobicContact CG-CD1 4.27Å; M554-L558 HydrophobicContact CE-CD1 4.26Å; M554-L558 HydrophobicContact CG-CD1 4.06Å; M554-L558 HydrophobicContact CG-CG 4.44Å; M554-L558 VanDerWaalsContact O-CG 3.23Å; M554-L558 WeakPolarHBondContact O-CG 3.44Å; M554-L558 PolarHBondContact O-N 2.7Å; L555-L558 PolarHBondContact O-N 3.04Å; E556-L558 PolarHBondContact O-N 3.26Å; L558-L561 PolarHBondContact O-N 3.29Å; L558-G562 PolarHBondContact O-N 2.89Å; L558-L563 HydrophobicContact CB-CB 4.35Å; L558-L563 HydrophobicContact CD2-CB 4.11Å; L558-L563 HydrophobicContact CD2-CD1 3.84Å; L558-L563 PolarHBondContact O-N 3.37Å; L558-L564 HydrophobicContact CB-CB 3.87Å; L558-L564 HydrophobicContact CD1-CD2 4.43Å; L558-L564 PolarHBondContact O-N 2.86Å; L558-L564 VanDerWaalsContact O-N 3.12Å; L558-L806 HydrophobicContact CD2-CD2 3.81Å; L558-A809 HydrophobicContact CD2-CB 3.9Å; L558-A809 HydrophobicContact CG-CB 4.48Å
559S92.3Very high88.3Confident25 Ų2550.4 Ų50.418%0.17526%0.262CS..Hα-helixtrans-62.4-48172.3177.40000111.1L555 E556 A557 L561 G562 L564L555-S559 WeakPolarHBondContact O-CB 3.34Å; L555-S559 PolarHBondContact O-N 3.22Å; E556-S559 WeakPolarHBondContact O-CB 3.37Å; E556-S559 PolarHBondContact O-N 2.84Å; A557-S559 VanDerWaalsContact C-N 3.3Å; A557-S559 PolarHBondContact O-N 3.18Å; S559-L561 VanDerWaalsContact C-N 3.27Å; S559-L561 PolarHBondContact O-N 3.09Å; S559-G562 PolarHBondContact O-N 2.97Å; S559-L564 WeakPolarHBondContact CA-O 3.39Å; S559-L564 VanDerWaalsContact CB-O 3.31Å; S559-L564 WeakPolarHBondContact CB-O 3.37Å; S559-L564 PolarHBondContact N-O 3.17Å
560S90.4Very high87.8Confident76 Ų7646.1 Ų46.153%0.53124%0.244SC..Hα-helixtrans-63.3-30.7178.174.10000113.6L157 E556 A557 G562L157-S560 WeakPolarHBondContact CD2-OG 3.31Å; E556-S560 PolarHBondContact O-N 3.48Å; A557-S560 PolarHBondContact O-N 3.29Å; A557-S560 PolarHBondContact O-OG 3.46Å; S560-G562 VanDerWaalsContact C-N 3.26Å; S560-G562 PolarHBondContact O-N 3.33Å
561L92.6Very high87Confident12 Ų1244.6 Ų44.66%0.06324%0.242CC..THydrogen-bonded Turntrans-78.3-6.8174.1-68.2171000113.4F152 L157 Y281 A557 L558 S559 L563 A809F152-L561 HydrophobicContact CE1-CD1 3.92Å; F152-L561 HydrophobicContact CZ-CD1 4.03Å; F152-L561 HydrophobicContact CZ-CD2 4.12Å; L157-L561 HydrophobicContact CD2-CD1 3.77Å; L157-L561 HydrophobicContact CD2-CD2 3.71Å; L157-L561 HydrophobicContact CD2-CG 3.46Å; L157-L561 VanDerWaalsContact CD2-CG 3.46Å; L157-L561 HydrophobicContact CG-CD1 4.3Å; L157-L561 HydrophobicContact CG-CD2 4.06Å; L157-L561 HydrophobicContact CG-CG 4.24Å; Y281-L561 WeakPolarHBondContact CE2-O 3.45Å; A557-L561 WeakPolarHBondContact O-CG 3.21Å; A557-L561 PolarHBondContact O-N 3.08Å; L558-L561 PolarHBondContact O-N 3.29Å; S559-L561 VanDerWaalsContact C-N 3.27Å; S559-L561 PolarHBondContact O-N 3.09Å; L561-L563 VanDerWaalsContact C-N 3.27Å; L561-L563 HydrophobicContact CB-CD1 3.99Å; L561-L563 HydrophobicContact CB-CG 4.02Å; L561-L563 HydrophobicContact CD1-CD1 4.03Å; L561-L563 PolarHBondContact O-N 3.29Å; L561-A809 HydrophobicContact CD1-CB 3.65Å
562G92.4Very high85.7Confident20 Ų2052.2 Ų52.221%0.20628%0.276CS..THydrogen-bonded Turntrans70.123-173.200000113.5L558 S559 S560 Y565L558-G562 PolarHBondContact O-N 2.89Å; S559-G562 PolarHBondContact O-N 2.97Å; S560-G562 VanDerWaalsContact C-N 3.26Å; S560-G562 PolarHBondContact O-N 3.33Å; G562-Y565 WeakPolarHBondContact O-CE1 3.24Å
563L93.7Very high83.9Confident0 Ų050.3 Ų50.30%027%0.271CS..SBendtrans-94.3-29.7177.8-69.2173.3000112.4Y281 L285 A522 C525 V526 L558 L561 L805 L806Y281-L563 HydrophobicContact CD1-CD2 4.01Å; Y281-L563 HydrophobicContact CD2-CD2 3.79Å; Y281-L563 HydrophobicContact CD2-CG 4.45Å; Y281-L563 HydrophobicContact CE2-CD2 4.31Å; Y281-L563 HydrophobicContact CG-CD2 3.62Å; L285-L563 HydrophobicContact CD1-CD2 4.26Å; A522-L563 WeakPolarHBondContact CA-O 3.39Å; A522-L563 HydrophobicContact CB-CB 4.47Å; A522-L563 WeakPolarHBondContact CB-O 3.43Å; C525-L563 WeakPolarHBondContact CB-O 3.42Å; V526-L563 HydrophobicContact CG2-CD2 4.02Å; L558-L563 HydrophobicContact CB-CB 4.35Å; L558-L563 HydrophobicContact CD2-CB 4.11Å; L558-L563 HydrophobicContact CD2-CD1 3.84Å; L558-L563 PolarHBondContact O-N 3.37Å; L561-L563 VanDerWaalsContact C-N 3.27Å; L561-L563 HydrophobicContact CB-CD1 3.99Å; L561-L563 HydrophobicContact CB-CG 4.02Å; L561-L563 HydrophobicContact CD1-CD1 4.03Å; L561-L563 PolarHBondContact O-N 3.29Å; L563-L805 HydrophobicContact CD1-CD2 4.47Å; L563-L806 HydrophobicContact CD1-CD2 4.46Å
564L93.5Very high81.2Confident1 Ų154.6 Ų54.61%0.00530%0.302CS..SBendtrans-149.397.4179.3-178.559.9000111.3L518 V521 L531 Y536 I543 L555 L558 S559L518-L564 HydrophobicContact CD1-CD2 3.9Å; V521-L564 HydrophobicContact CG1-CD1 3.5Å; V521-L564 VanDerWaalsContact CG1-CD1 3.5Å; L531-L564 HydrophobicContact CD1-CD1 3.74Å; Y536-L564 HydrophobicContact CD2-CD1 4.39Å; Y536-L564 HydrophobicContact CE2-CD1 4.37Å; Y536-L564 HydrophobicContact CE2-CG 4.14Å; I543-L564 HydrophobicContact CD1-CD2 3.79Å; L555-L564 HydrophobicContact CD2-CD2 3.51Å; L558-L564 HydrophobicContact CB-CB 3.87Å; L558-L564 HydrophobicContact CD1-CD2 4.43Å; L558-L564 PolarHBondContact O-N 2.86Å; L558-L564 VanDerWaalsContact O-N 3.12Å; S559-L564 WeakPolarHBondContact CA-O 3.39Å; S559-L564 VanDerWaalsContact CB-O 3.31Å; S559-L564 WeakPolarHBondContact CB-O 3.37Å; S559-L564 PolarHBondContact N-O 3.17Å
565Y92.9Very high78.3Confident17 Ų1757.8 Ų57.87%0.06733%0.326CS..  trans-146.9154.8-179.162.7-83.5000112C525 D529 G530 L531 G562 L570C525-Y565 VanDerWaalsContact SG-CD1 3.54Å; C525-Y565 VanDerWaalsContact SG-CE1 3.57Å; C525-Y565 PolarHBondContact SG-N 3.16Å; D529-Y565 WeakPolarHBondContact CA-OH 3.32Å; G530-Y565 PolarHBondContact N-OH 3.28Å; L531-Y565 PolarHBondContact N-O 3.43Å; L531-Y565 VanDerWaalsContact N-O 3.07Å; G562-Y565 WeakPolarHBondContact O-CE1 3.24Å; Y565-L570 HydrophobicContact CE2-CD1 3.67Å; Y565-L570 VanDerWaalsContact OH-CD1 3.32Å; Y565-L570 WeakPolarHBondContact OH-CD1 3.45Å
566P92.5Very high75.3Confident6 Ų663.4 Ų63.44%0.03936%0.361CS..BIsolated β-bridgetrans-73.2135.5171.730.7-32000109.3D533 Y536 S568 K569D533-P566 WeakPolarHBondContact OD1-CB 3.42Å; Y536-P566 HydrophobicContact CD1-CB 3.96Å; Y536-P566 HydrophobicContact CD1-CG 4.2Å; Y536-P566 HydrophobicContact CD2-CB 4.27Å; Y536-P566 HydrophobicContact CE1-CB 4.48Å; Y536-P566 HydrophobicContact CE1-CG 4.23Å; Y536-P566 HydrophobicContact CG-CB 3.85Å; Y536-P566 HydrophobicContact CG-CG 4.38Å; P566-S568 PolarHBondContact O-N 3.2Å; P566-S568 VanDerWaalsContact O-N 3.11Å; P566-K569 HydrophobicContact CG-CB 4.13Å; P566-K569 HydrophobicContact CG-CD 3.8Å; P566-K569 HydrophobicContact CG-CG 3.9Å; P566-K569 PolarHBondContact O-N 3.17Å
567R88.1Confident72.2Confident66 Ų6665.5 Ų65.525%0.24937%0.368CS..G310 helixtrans-55.9-30-179-179.5-172.7-62-78.2-10.7112.7H528 G530 L531 K569 L570H528-R567 PolarHBondContact O-NH1 2.93Å; H528-R567 PolarHBondContact O-NH2 3.1Å; G530-R567 PolarHBondContact O-NH2 2.76Å; L531-R567 VanDerWaalsContact O-CB 3.25Å; L531-R567 WeakPolarHBondContact O-CB 3.41Å; L531-R567 PolarHBondContact O-N 3.36Å; R567-K569 PolarHBondContact O-N 2.82Å; R567-L570 WeakPolarHBondContact O-CB 3.33Å; R567-L570 PolarHBondContact O-N 3.15Å; R567-L570 VanDerWaalsContact O-N 3.14Å
568S84.7Confident69Low82 Ų8271.3 Ų71.357%0.57340%0.404SS*.G310 helixtrans-60-23.5174.556.30000113.6D533 P566D533-S568 VanDerWaalsContact OD1-CB 3.24Å; D533-S568 WeakPolarHBondContact OD1-CB 3.28Å; D533-S568 PolarHBondContact OD1-OG 3.09Å; P566-S568 PolarHBondContact O-N 3.2Å; P566-S568 VanDerWaalsContact O-N 3.11Å
569K82.5Confident65.7Low149 Ų14974.9 Ų74.965%0.64843%0.428SS*.G310 helixtrans-103.923.5177.4-63.1-174.6-178.5178.70113.1P566 R567 P571P566-K569 HydrophobicContact CG-CB 4.13Å; P566-K569 HydrophobicContact CG-CD 3.8Å; P566-K569 HydrophobicContact CG-CG 3.9Å; P566-K569 PolarHBondContact O-N 3.17Å; R567-K569 PolarHBondContact O-N 2.82Å; K569-P571 WeakPolarHBondContact O-CD 3.33Å
570L71.3Confident62.5Low77 Ų7781.1 Ų81.140%0.40346%0.458SS..  trans-48.3120.5179-175.467.4000109.7D529 Y565 R567 E572D529-L570 HydrophobicContact CB-CD1 3.82Å; D529-L570 HydrophobicContact CB-CD2 4.5Å; Y565-L570 HydrophobicContact CE2-CD1 3.67Å; Y565-L570 VanDerWaalsContact OH-CD1 3.32Å; Y565-L570 WeakPolarHBondContact OH-CD1 3.45Å; R567-L570 WeakPolarHBondContact O-CB 3.33Å; R567-L570 PolarHBondContact O-N 3.15Å; R567-L570 VanDerWaalsContact O-N 3.14Å; L570-E572 PolarHBondContact O-N 2.81Å
571P60.1Low59.3Low84 Ų8482.7 Ų82.755%0.54547%0.465SS..  trans-58.2117.2-180-23.632.9000109.3K569 I573K569-P571 WeakPolarHBondContact O-CD 3.33Å; P571-I573 PolarHBondContact O-N 3.06Å
572E53Low56.2Low171 Ų17189.1 Ų89.180%0.79950%0.499SS*.  trans-61.8112173.5-76.5-165.1162.300107.9L570 S574L570-E572 PolarHBondContact O-N 2.81Å; E572-S574 PolarHBondContact O-N 2.95Å
573I47Very low52.9Low94 Ų9495.7 Ų95.748%0.48253%0.53SS..  trans-59.8129.9163.4-57.9170.1000105.1P571 S575P571-I573 PolarHBondContact O-N 3.06Å; I573-S575 PolarHBondContact O-N 3.23Å
574S29.4Very low49.6Very low114 Ų114103.8 Ų103.880%0.79757%0.567SS**  trans-59.866.9173.1490000111.3E572 T576E572-S574 PolarHBondContact O-N 2.95Å; S574-T576 VanDerWaalsContact C-N 3.35Å; S574-T576 PolarHBondContact O-N 3.42Å
575S27.4Very low46.5Very low91 Ų91109.2 Ų109.264%0.63660%0.602SS**  trans-67.4104.5157.157.80000104.5I573 K577I573-S575 PolarHBondContact O-N 3.23Å; S575-K577 VanDerWaalsContact C-N 3.3Å; S575-K577 PolarHBondContact O-N 2.94Å
576T24.4Very low43.4Very low125 Ų125114.9 Ų114.977%0.76764%0.639SS**  trans-42.897.616844.10000108.5S574 T578S574-T576 VanDerWaalsContact C-N 3.35Å; S574-T576 PolarHBondContact O-N 3.42Å; T576-T578 PolarHBondContact O-N 2.98Å
577K24.7Very low40.2Very low156 Ų156122.2 Ų122.268%0.67868%0.678SS**  trans-66.191.8162.9-79.9178.7-174.1163.90104.9S575 S579S575-K577 VanDerWaalsContact C-N 3.3Å; S575-K577 PolarHBondContact O-N 2.94Å; K577-S579 PolarHBondContact O-N 2.98Å
578T23.5Very low37.5Very low131 Ų131124.3 Ų124.380%0.80470%0.7SS**  trans-67.562.3157.436.20000108.4T576T576-T578 PolarHBondContact O-N 2.98Å
579S23.8Very low34.6Very low75 Ų75129.4 Ų129.452%0.52472%0.715SS.*  trans-9689.2160.252.70000106.1K577 T581K577-S579 PolarHBondContact O-N 2.98Å; S579-T581 PolarHBondContact O-N 2.99Å
580I23.9Very low32Very low156 Ų156127.9 Ų127.980%0.872%0.723SS**  trans-59.590.8160.1-59.8167.1000105.5
581T25Very low29.7Very low110 Ų110129.6 Ų129.668%0.67574%0.741SS**  trans-117.3104.2168.549.90000106.7S579 N583S579-T581 PolarHBondContact O-N 2.99Å; T581-N583 PolarHBondContact O-N 3.02Å
582N26.1Very low28Very low146 Ų146134.2 Ų134.278%0.78176%0.758SS**  trans-44.8120177.3-69.8-32.9000110.6H584N582-H584 PolarHBondContact O-N 3.4Å; N582-H584 VanDerWaalsContact O-N 3.15Å
583N22.6Very low26.6Very low159 Ų159135.4 Ų135.485%0.8576%0.761SS**  trans-58.6111.8169.8-73.2-26000109.2T581T581-N583 PolarHBondContact O-N 3.02Å
584H26.1Very low25.6Very low170 Ų170136.5 Ų136.579%0.78777%0.771SS**  trans-121.3121.8150.4-107.3-63.8000108.1N582N582-H584 PolarHBondContact O-N 3.4Å; N582-H584 VanDerWaalsContact O-N 3.15Å
585P27.4Very low25.3Very low115 Ų115135.7 Ų135.775%0.74777%0.772SS**  trans-81.2125.5-176.432.3-29.9000108.7
586T27.7Very low25.2Very low135 Ų135140.2 Ų140.283%0.82878%0.783SS**  trans-127.5125.7165.649.70000108.8
587D26.4Very low25.1Very low160 Ų160140.2 Ų140.286%0.85678%0.783SS**  trans-55.6154-168.3-77.4-53.9000115.8
588P30.7Very low25.1Very low110 Ų110139.7 Ų139.771%0.71479%0.787SS**  trans-92.5111.9-177.134.4-25.8000109.7
589Q24.2Very low25.2Very low190 Ų190139.6 Ų139.689%0.88878%0.782SS**  trans-163.8120.9158.9-110.8163.651.100110.9
590S27.4Very low25.2Very low117 Ų117141.4 Ų141.482%0.81880%0.795SS**  trans132.385.2146.679.20000112.6
591S22.9Very low25.4Very low113 Ų113140 Ų14079%0.7979%0.793SS**  trans-62158.2156.847.40000112.7
592M24.8Very low25.7Very low181 Ų181145.1 Ų145.189%0.89281%0.806SS**  trans91.178168.6-59.9-155.887.100117
593F24.1Very low25.9Very low196 Ų196148 Ų14886%0.8681%0.812SS**  trans-69.1122.1152-96.7-101.6000109.9
594V25.1Very low26.4Very low116 Ų116144.6 Ų144.670%0.70380%0.801SS**  83.6114.696.3173.20000114.3
595A23.6Very low27Very low98 Ų98141 Ų14181%0.8180%0.795SS**  trans-147.484.9146.500000108.5
596Q24.6Very low27.5Very low185 Ų185142.8 Ų142.886%0.86479%0.793SS**  trans-132.1105.4160.2-82.5-171.4-12.500109.6
597T22.2Very low28.2Very low126 Ų126140.2 Ų140.277%0.77378%0.78SS**  trans-59.8132.8162.948.10000109.9
598N24.4Very low28.6Very low144 Ų144138.5 Ų138.577%0.7777%0.771SS**  trans-174.9134134.5-91.7-19000113.3
599N26.2Very low29.4Very low129 Ų129137.8 Ų137.869%0.6976%0.764SS**  trans74.282.1147.5-62.9-11.9000120.3T601N599-T601 PolarHBondContact O-N 2.93Å
600S24.2Very low30Very low114 Ų114135.7 Ų135.780%0.79775%0.754SS**  3.697.312449.20000117.9
601T28.5Very low30.5Very low125 Ų125133.4 Ų133.477%0.76774%0.735SS**  trans-137.7111.6152.744.30000110.8N599 K603N599-T601 PolarHBondContact O-N 2.93Å; T601-K603 PolarHBondContact O-N 3.07Å
602K29.9Very low31.5Very low218 Ų218132 Ų13295%0.94872%0.722SS**  trans16.393.4157.1-64.4176.8178.1177.60116.2
603K30.2Very low32.1Very low206 Ų206126 Ų12690%0.89670%0.701SS**  trans-116133.9160.7-79.8-175.7177.31780110.9T601T601-K603 PolarHBondContact O-N 3.07Å
604S34.7Very low32.8Very low88 Ų88124 Ų12462%0.61569%0.692SS**  trans-55.1140.6-165.150.90000115.8H606 S607S604-H606 PolarHBondContact O-N 3.2Å; S604-S607 PolarHBondContact O-N 3.47Å
605S37.9Very low33.5Very low95 Ų95124.6 Ų124.666%0.66469%0.69SS**THydrogen-bonded Turntrans-55.2-8.5178.2460000116.5
606H38.2Very low34.3Very low153 Ų153128.9 Ų128.971%0.70869%0.691SS**Hα-helixtrans-78.4-14178.2-76-71.5000114.9S604S604-H606 PolarHBondContact O-N 3.2Å
607S41.9Very low34.9Very low81 Ų81127 Ų12757%0.56669%0.686SS**Hα-helixtrans-77.4-29.1177.5-177.10000113.1S604 T611S604-S607 PolarHBondContact O-N 3.47Å; S607-T611 PolarHBondContact O-N 3.47Å; S607-T611 PolarHBondContact O-OG1 2.85Å
608L35.8Very low35.9Very low124 Ų124126.2 Ų126.265%0.64968%0.681SS**Hα-helixtrans-74.8-35.5-176.3-89.3153.2000111.7H610 T611 V612L608-H610 VanDerWaalsContact C-N 3.32Å; L608-H610 PolarHBondContact O-N 2.69Å; L608-T611 PolarHBondContact O-N 2.75Å; L608-V612 WeakPolarHBondContact O-CB 3.38Å; L608-V612 VanDerWaalsContact O-CG2 3.28Å; L608-V612 WeakPolarHBondContact O-CG2 3.45Å; L608-V612 PolarHBondContact O-N 2.89Å
609T47.6Very low36.9Very low94 Ų94128 Ų12858%0.57769%0.685SS**Hα-helixtrans-63.8-38.4177.4-50000111.9A613T609-A613 WeakPolarHBondContact O-CB 3.23Å; T609-A613 PolarHBondContact O-N 2.96Å
610H35.5Very low38.2Very low146 Ų146123.8 Ų123.868%0.67666%0.659SS**Hα-helixtrans-74.6-27.8179.4-144.6-61.2000113.1L608 K614L608-H610 VanDerWaalsContact C-N 3.32Å; L608-H610 PolarHBondContact O-N 2.69Å; H610-K614 WeakPolarHBondContact O-CB 3.29Å; H610-K614 PolarHBondContact O-N 2.99Å
611T39.5Very low40.1Very low70 Ų70126.7 Ų126.743%0.42966%0.66SS.*Hα-helixtrans-80.9-40.7177.7-41.70000110.9S607 L608 K614 L615S607-T611 PolarHBondContact O-N 3.47Å; S607-T611 PolarHBondContact O-OG1 2.85Å; L608-T611 PolarHBondContact O-N 2.75Å; T611-K614 CarbonylContact O-C 3.59Å; T611-K614 WeakPolarHBondContact O-CB 3.48Å; T611-K614 PolarHBondContact O-N 3.47Å; T611-L615 HydrophobicContact CG2-CD1 4.33Å; T611-L615 WeakPolarHBondContact O-CG 3.37Å; T611-L615 PolarHBondContact O-N 3.42Å
612V42.6Very low42.4Very low83 Ų83124 Ų12450%0.50364%0.638SS.*Hα-helixtrans-70.2-36.6175.5176.70000111.5L608 K614 L615 K616L608-V612 WeakPolarHBondContact O-CB 3.38Å; L608-V612 VanDerWaalsContact O-CG2 3.28Å; L608-V612 WeakPolarHBondContact O-CG2 3.45Å; L608-V612 PolarHBondContact O-N 2.89Å; V612-K614 VanDerWaalsContact C-N 3.3Å; V612-K614 PolarHBondContact O-N 2.91Å; V612-L615 PolarHBondContact O-N 3.3Å; V612-K616 PolarHBondContact O-N 3.37Å
613A37.3Very low45.1Very low54 Ų54113.7 Ų113.745%0.44659%0.593SS.*Hα-helixtrans-63.3-36.3170.900000111.9T609 L615 L617T609-A613 WeakPolarHBondContact O-CB 3.23Å; T609-A613 PolarHBondContact O-N 2.96Å; A613-L615 VanDerWaalsContact C-N 3.29Å; A613-L615 PolarHBondContact O-N 3.31Å; A613-L617 PolarHBondContact O-N 3.25Å
614K39.3Very low47.9Very low155 Ų155107.2 Ų107.267%0.67456%0.563SS**Hα-helixtrans-68.2-24.9170.7-116.7-178.8177.2-178.40113.5H610 T611 V612 T618H610-K614 WeakPolarHBondContact O-CB 3.29Å; H610-K614 PolarHBondContact O-N 2.99Å; T611-K614 CarbonylContact O-C 3.59Å; T611-K614 WeakPolarHBondContact O-CB 3.48Å; T611-K614 PolarHBondContact O-N 3.47Å; V612-K614 VanDerWaalsContact C-N 3.3Å; V612-K614 PolarHBondContact O-N 2.91Å; K614-T618 WeakPolarHBondContact O-CG2 3.35Å
615L40Very low50.6Low129 Ų129103.7 Ų103.768%0.67554%0.536SS*.Hα-helixtrans-90.2-12-175.7-79.2165.1000114.8T611 V612 A613T611-L615 HydrophobicContact CG2-CD1 4.33Å; T611-L615 WeakPolarHBondContact O-CG 3.37Å; T611-L615 PolarHBondContact O-N 3.42Å; V612-L615 PolarHBondContact O-N 3.3Å; A613-L615 VanDerWaalsContact C-N 3.29Å; A613-L615 PolarHBondContact O-N 3.31Å
616K41Very low53.2Low188 Ų18899.1 Ų99.182%0.81751%0.505SS*.Hα-helixtrans-131.3-8.9177.4-76.7-170.1174.7-176.90116.4V612V612-K616 PolarHBondContact O-N 3.37Å
617L36.9Very low55.7Low145 Ų14595.2 Ų95.276%0.75948%0.484SS*.  trans-129.741.4179.4-82.1159.7000111.2A613 Q619A613-L617 PolarHBondContact O-N 3.25Å; L617-Q619 PolarHBondContact O-N 3.03Å
618T41.7Very low58.1Low110 Ų11091.9 Ų91.968%0.67546%0.46SS*.  trans-58.9100.8156.144.80000106.1K614 R620K614-T618 WeakPolarHBondContact O-CG2 3.35Å; T618-R620 VanDerWaalsContact C-N 3.3Å; T618-R620 PolarHBondContact O-N 3Å
619Q45.4Very low60.9Low181 Ų18186.2 Ų86.285%0.84643%0.43SS*.  trans-48.4107161.6-81.4178.3-18.300105.5L617 Q621L617-Q619 PolarHBondContact O-N 3.03Å; Q619-Q621 PolarHBondContact O-N 3.24Å; Q619-Q621 VanDerWaalsContact O-N 3.13Å
620R54.7Low62.9Low41 Ų4183.1 Ų83.116%0.15541%0.409CS..PPolyproline II helixtrans-55.2124.2-175.9-164.1170.6-174.6-137.711.2106.8C487 G488 A491 D492 T618 K622C487-R620 PolarHBondContact O-NH1 3.37Å; G488-R620 VanDerWaalsContact C-NH1 3.3Å; G488-R620 PolarHBondContact O-NH1 2.97Å; A491-R620 VanDerWaalsContact CB-NH2 3.3Å; D492-R620 IonicContact OD2-CZ 3.58Å; D492-R620 IonicContact OD2-NE 3.64Å; D492-R620 IonicContact OD2-NH2 2.77Å; D492-R620 PolarHBondContact OD2-NH2 2.96Å; T618-R620 VanDerWaalsContact C-N 3.3Å; T618-R620 PolarHBondContact O-N 3Å; R620-K622 PolarHBondContact O-N 3.36Å
621Q63.3Low65.6Low174 Ų17476.9 Ų76.981%0.81338%0.381SS*.PPolyproline II helixtrans-56.8130.6177.9-72.8-170.8-13.800108.1Q619 S623Q619-Q621 PolarHBondContact O-N 3.24Å; Q619-Q621 VanDerWaalsContact O-N 3.13Å; Q621-S623 PolarHBondContact O-N 3.49Å
622K76.4Confident68.2Low68 Ų6873.5 Ų73.530%0.29636%0.36SS..PPolyproline II helixtrans-63.5133.2179.9-56.7-178.3-167.5-176.10108.1I483 G484 R620 Y627I483-K622 PolarHBondContact O-NZ 3.1Å; G484-K622 WeakPolarHBondContact O-CD 3.41Å; G484-K622 WeakPolarHBondContact O-CE 3.32Å; G484-K622 PolarHBondContact O-NZ 2.7Å; R620-K622 PolarHBondContact O-N 3.36Å; K622-Y627 HydrophobicContact CB-CD2 4.14Å; K622-Y627 HydrophobicContact CB-CE2 3.47Å; K622-Y627 VanDerWaalsContact CB-CE2 3.47Å; K622-Y627 HydrophobicContact CD-CE1 4.03Å; K622-Y627 HydrophobicContact CD-CE2 4.42Å; K622-Y627 HydrophobicContact CG-CE2 4.48Å; K622-Y627 WeakPolarHBondContact O-CE2 3.33Å
623S86.7Confident70.5Confident3 Ų373.1 Ų73.12%0.02135%0.353CS..PPolyproline II helixtrans-70.4158.1-17762.60000112C487 L527 D529 Q621 Y625 N626 Y627C487-S623 PolarHBondContact SG-N 3.35Å; C487-S623 VanDerWaalsContact SG-N 3.41Å; C487-S623 PolarHBondContact SG-OG 3.07Å; L527-S623 WeakPolarHBondContact O-CB 3.37Å; L527-S623 PolarHBondContact O-OG 2.97Å; D529-S623 WeakPolarHBondContact OD2-CA 3.35Å; D529-S623 WeakPolarHBondContact OD2-CB 3.41Å; Q621-S623 PolarHBondContact O-N 3.49Å; S623-Y625 VanDerWaalsContact C-N 3.27Å; S623-Y625 PolarHBondContact O-N 2.79Å; S623-N626 VanDerWaalsContact O-CB 3.27Å; S623-N626 WeakPolarHBondContact O-CB 3.44Å; S623-N626 PolarHBondContact O-N 3.24Å; S623-N626 PolarHBondContact OG-N 3.45Å; S623-Y627 VanDerWaalsContact O-CD2 3.24Å; S623-Y627 WeakPolarHBondContact O-CD2 3.49Å; S623-Y627 PolarHBondContact O-N 3.25Å
624R89Confident73.2Confident69 Ų6970.8 Ų70.826%0.2633%0.333SS..Hα-helixtrans-56.2-44174.3176.8172.2161.4155.5-8.9111.5D529 N626 Y627 L628 R711 M712D529-R624 PolarHBondContact OD1-N 3.32Å; D529-R624 PolarHBondContact OD2-N 3Å; R624-N626 VanDerWaalsContact C-N 3.32Å; R624-N626 PolarHBondContact O-N 3.24Å; R624-Y627 PolarHBondContact O-N 2.95Å; R624-L628 HydrophobicContact CG-CD1 4.02Å; R624-L628 WeakPolarHBondContact O-CG 3.44Å; R624-L628 PolarHBondContact O-N 2.93Å; R624-L628 VanDerWaalsContact O-N 3.07Å; R624-R711 PolarHBondContact NE-O 2.84Å; R624-M712 VanDerWaalsContact CZ-C 3.48Å; R624-M712 VanDerWaalsContact CZ-CA 3.48Å; R624-M712 VanDerWaalsContact CZ-O 3.3Å; R624-M712 PolarHBondContact NH1-O 3.33Å; R624-M712 PolarHBondContact NH2-O 2.83Å
625Y92.6Very high75.8Confident14 Ų1464.3 Ų64.36%0.05531%0.307CS..Hα-helixtrans-58-43.7174.5172.6-98000112.1V282 L442 L527 S623 Y627 L628 H629 L634V282-Y625 HydrophobicContact CG1-CE2 4.23Å; V282-Y625 HydrophobicContact CG2-CD2 3.91Å; V282-Y625 HydrophobicContact CG2-CE2 4.2Å; L442-Y625 WeakPolarHBondContact CD2-OH 3.41Å; L527-Y625 HydrophobicContact CB-CD1 4.39Å; L527-Y625 HydrophobicContact CD2-CD1 3.44Å; L527-Y625 VanDerWaalsContact CD2-CD1 3.44Å; L527-Y625 HydrophobicContact CD2-CD2 3.54Å; L527-Y625 HydrophobicContact CD2-CE1 3.49Å; L527-Y625 VanDerWaalsContact CD2-CE1 3.49Å; L527-Y625 HydrophobicContact CD2-CE2 3.58Å; L527-Y625 HydrophobicContact CD2-CG 3.46Å; L527-Y625 VanDerWaalsContact CD2-CG 3.46Å; S623-Y625 VanDerWaalsContact C-N 3.27Å; S623-Y625 PolarHBondContact O-N 2.79Å; Y625-Y627 PolarHBondContact O-N 2.87Å; Y625-L628 PolarHBondContact O-N 3.04Å; Y625-H629 HydrophobicContact CE1-CB 4.14Å; Y625-H629 HydrophobicContact CE2-CB 4.5Å; Y625-H629 VanDerWaalsContact O-CB 3.27Å; Y625-H629 WeakPolarHBondContact O-CB 3.44Å; Y625-H629 PolarHBondContact O-N 3.46Å; Y625-L634 HydrophobicContact CE2-CD1 4.38Å
626N91.8Very high78.2Confident0 Ų059.5 Ų59.50%028%0.282CS..Hα-helixtrans-54.9-52.7177.9-174.4-60.6000110.9G445 G447 G484 G485 C487 S623 R624 L628 H629 H630G445-N626 VanDerWaalsContact O-CB 3.22Å; G445-N626 WeakPolarHBondContact O-CB 3.42Å; G445-N626 PolarHBondContact O-ND2 2.9Å; G447-N626 PolarHBondContact N-ND2 2.93Å; G484-N626 WeakPolarHBondContact CA-OD1 3.38Å; G485-N626 PolarHBondContact O-ND2 3.12Å; C487-N626 PolarHBondContact SG-ND2 3.42Å; S623-N626 VanDerWaalsContact O-CB 3.27Å; S623-N626 WeakPolarHBondContact O-CB 3.44Å; S623-N626 PolarHBondContact O-N 3.24Å; S623-N626 PolarHBondContact OG-N 3.45Å; R624-N626 VanDerWaalsContact C-N 3.32Å; R624-N626 PolarHBondContact O-N 3.24Å; N626-L628 PolarHBondContact O-N 3.35Å; N626-H629 PolarHBondContact O-N 3.41Å; N626-H630 PolarHBondContact O-CD2 2.86Å; N626-H630 PolarHBondContact O-N 3.41Å; N626-H630 PolarHBondContact OD1-CD2 2.62Å
627Y90.6Very high80.4Confident70 Ų7056.6 Ų56.628%0.27527%0.266SS..Hα-helixtrans-57.2-48.1178.2-74.6-74.7000112.3K622 S623 R624 Y625 H630 L631K622-Y627 HydrophobicContact CB-CD2 4.14Å; K622-Y627 HydrophobicContact CB-CE2 3.47Å; K622-Y627 VanDerWaalsContact CB-CE2 3.47Å; K622-Y627 HydrophobicContact CD-CE1 4.03Å; K622-Y627 HydrophobicContact CD-CE2 4.42Å; K622-Y627 HydrophobicContact CG-CE2 4.48Å; K622-Y627 WeakPolarHBondContact O-CE2 3.33Å; S623-Y627 VanDerWaalsContact O-CD2 3.24Å; S623-Y627 WeakPolarHBondContact O-CD2 3.49Å; S623-Y627 PolarHBondContact O-N 3.25Å; R624-Y627 PolarHBondContact O-N 2.95Å; Y625-Y627 PolarHBondContact O-N 2.87Å; Y627-H630 PolarHBondContact O-N 3.18Å; Y627-L631 WeakPolarHBondContact O-CB 3.15Å; Y627-L631 VanDerWaalsContact O-CG 3.28Å; Y627-L631 WeakPolarHBondContact O-CG 3.39Å; Y627-L631 PolarHBondContact O-N 3.1Å
628L93.3Very high82.9Confident12 Ų1255.7 Ų55.76%0.06326%0.256CS..Hα-helixtrans-65.4-39.7-178.7-66.9175.5000112.3R624 Y625 N626 H630 L631 L632 A708 R711 M712R624-L628 HydrophobicContact CG-CD1 4.02Å; R624-L628 WeakPolarHBondContact O-CG 3.44Å; R624-L628 PolarHBondContact O-N 2.93Å; R624-L628 VanDerWaalsContact O-N 3.07Å; Y625-L628 PolarHBondContact O-N 3.04Å; N626-L628 PolarHBondContact O-N 3.35Å; L628-H630 VanDerWaalsContact C-N 3.3Å; L628-H630 PolarHBondContact O-N 3.44Å; L628-L631 PolarHBondContact O-N 3.05Å; L628-L632 HydrophobicContact CD2-CD1 4.46Å; L628-L632 WeakPolarHBondContact O-CB 3.45Å; L628-L632 PolarHBondContact O-N 3.2Å; L628-A708 HydrophobicContact CD2-CB 4.17Å; L628-A708 WeakPolarHBondContact CD2-O 3.27Å; L628-R711 HydrophobicContact CD2-CB 4.02Å; L628-M712 HydrophobicContact CD1-CG 3.92Å; L628-M712 HydrophobicContact CD2-CG 3.73Å; L628-M712 HydrophobicContact CD2-SD 4.48Å
629H93.2Very high85.2Confident5 Ų551 Ų512%0.02323%0.227CC..Hα-helixtrans-55.2-46.3176.3172.5-84.5000111.6A449 Y625 N626 Q633 L634 S635A449-H629 PolarHBondContact O-CE1 2.96Å; Y625-H629 HydrophobicContact CE1-CB 4.14Å; Y625-H629 HydrophobicContact CE2-CB 4.5Å; Y625-H629 VanDerWaalsContact O-CB 3.27Å; Y625-H629 WeakPolarHBondContact O-CB 3.44Å; Y625-H629 PolarHBondContact O-N 3.46Å; N626-H629 PolarHBondContact O-N 3.41Å; H629-Q633 WeakPolarHBondContact O-CA 3.49Å; H629-Q633 PolarHBondContact O-N 3.46Å; H629-L634 HydrophobicContact CB-CD1 4.45Å; H629-L634 PolarHBondContact O-N 3.11Å; H629-L634 VanDerWaalsContact O-N 3.08Å; H629-S635 PolarHBondContact CE1-OG 3.21Å; H629-S635 WeakPolarHBondContact NE2-CB 3.08Å; H629-S635 PolarHBondContact NE2-OG 2.96Å
630H90.6Very high87.2Confident28 Ų2843.6 Ų43.613%0.1320%0.196CC..Hα-helixtrans-74.7-44.6178.8-74.1-84.5000112.7S446 A449 I483 G484 N626 Y627 L628 L632S446-H630 PolarHBondContact O-NE2 3.2Å; A449-H630 WeakPolarHBondContact CB-CE1 3.39Å; I483-H630 HydrophobicContact CG2-CB 3.79Å; G484-H630 VanDerWaalsContact CA-CD2 3.42Å; G484-H630 WeakPolarHBondContact CA-CD2 3.39Å; G484-H630 WeakPolarHBondContact CA-NE2 3.19Å; G484-H630 PolarHBondContact N-CD2 2.68Å; G484-H630 VanDerWaalsContact N-CD2 3.34Å; N626-H630 PolarHBondContact O-CD2 2.86Å; N626-H630 PolarHBondContact O-N 3.41Å; N626-H630 PolarHBondContact OD1-CD2 2.62Å; Y627-H630 PolarHBondContact O-N 3.18Å; L628-H630 VanDerWaalsContact C-N 3.3Å; L628-H630 PolarHBondContact O-N 3.44Å; H630-L632 VanDerWaalsContact C-N 3.26Å; H630-L632 PolarHBondContact O-N 2.83Å
631L92Very high88.7Confident15 Ų1546 Ų468%0.07921%0.212CC..Hα-helixtrans-65.5-28.3-179.4-73.1172000112.8Y627 L628 Q704 E707 A708 R711Y627-L631 WeakPolarHBondContact O-CB 3.15Å; Y627-L631 VanDerWaalsContact O-CG 3.28Å; Y627-L631 WeakPolarHBondContact O-CG 3.39Å; Y627-L631 PolarHBondContact O-N 3.1Å; L628-L631 PolarHBondContact O-N 3.05Å; L631-Q704 HydrophobicContact CB-CG 4.46Å; L631-Q704 HydrophobicContact CD2-CG 3.96Å; L631-Q704 VanDerWaalsContact O-CD 3.26Å; L631-Q704 VanDerWaalsContact O-CG 3.27Å; L631-Q704 WeakPolarHBondContact O-CG 3.26Å; L631-Q704 PolarHBondContact O-NE2 3.16Å; L631-E707 HydrophobicContact CD1-CG 3.99Å; L631-E707 HydrophobicContact CD2-CG 4.33Å; L631-A708 HydrophobicContact CB-CB 4.1Å; L631-A708 HydrophobicContact CD1-CB 4.26Å; L631-R711 HydrophobicContact CD1-CG 4.16Å
632L93.2Very high89.8Confident0 Ų041 Ų410%019%0.186CC..THydrogen-bonded Turntrans-114.76.7-176.1-62174.4000113.5L628 H630 L634 L662 R665 L666 I700 L705 A708L628-L632 HydrophobicContact CD2-CD1 4.46Å; L628-L632 WeakPolarHBondContact O-CB 3.45Å; L628-L632 PolarHBondContact O-N 3.2Å; H630-L632 VanDerWaalsContact C-N 3.26Å; H630-L632 PolarHBondContact O-N 2.83Å; L632-L634 VanDerWaalsContact C-N 3.32Å; L632-L634 HydrophobicContact CB-CD2 3.67Å; L632-L634 HydrophobicContact CB-CG 4.11Å; L632-L634 PolarHBondContact O-N 2.98Å; L632-L662 HydrophobicContact CD1-CD1 3.12Å; L632-R665 HydrophobicContact CB-CB 4.42Å; L632-R665 WeakPolarHBondContact O-CG 3.33Å; L632-R665 PolarHBondContact O-NE 3.02Å; L632-L666 HydrophobicContact CD1-CD2 4.49Å; L632-I700 HydrophobicContact CD2-CG1 4.35Å; L632-I700 HydrophobicContact CD2-CG2 4.37Å; L632-L705 HydrophobicContact CD2-CD1 4.28Å; L632-A708 HydrophobicContact CD1-CB 3.96Å; L632-A708 HydrophobicContact CD2-CB 3.7Å; L632-A708 HydrophobicContact CG-CB 3.8Å
633Q92.3Very high90.3Very high74 Ų7443.4 Ų43.435%0.34620%0.198SC..THydrogen-bonded Turntrans48.356.6179.7-56.7179.37.200111H629 S635 R665 F697 I700H629-Q633 WeakPolarHBondContact O-CA 3.49Å; H629-Q633 PolarHBondContact O-N 3.46Å; Q633-S635 PolarHBondContact O-N 3.38Å; Q633-R665 PolarHBondContact O-NE 2.92Å; Q633-R665 PolarHBondContact O-NH2 3.39Å; Q633-R665 VanDerWaalsContact O-NH2 3.12Å; Q633-F697 PolarHBondContact OE1-O 2.82Å; Q633-I700 HydrophobicContact CB-CD1 4.31Å; Q633-I700 HydrophobicContact CG-CD1 3.92Å
634L93.8Very high90.1Very high5 Ų545.6 Ų45.63%0.02621%0.211CC..  trans-72.3-8.4-173.7-60.4-175.4000112.8Y625 H629 L632 H659 C660 L662 R665Y625-L634 HydrophobicContact CE2-CD1 4.38Å; H629-L634 HydrophobicContact CB-CD1 4.45Å; H629-L634 PolarHBondContact O-N 3.11Å; H629-L634 VanDerWaalsContact O-N 3.08Å; L632-L634 VanDerWaalsContact C-N 3.32Å; L632-L634 HydrophobicContact CB-CD2 3.67Å; L632-L634 HydrophobicContact CB-CG 4.11Å; L632-L634 PolarHBondContact O-N 2.98Å; L634-H659 CarbonylContact O-C 3.58Å; L634-H659 WeakPolarHBondContact O-CA 3.46Å; L634-C660 WeakPolarHBondContact O-CB 3.38Å; L634-C660 PolarHBondContact O-N 3.4Å; L634-L662 HydrophobicContact CD2-CD1 4.39Å; L634-R665 HydrophobicContact CD2-CB 4.49Å; L634-R665 HydrophobicContact CD2-CG 3.87Å
635S93.2Very high89.7Confident19 Ų1946.8 Ų46.813%0.13322%0.222CC..  trans-124.9155171.5700000110.9A451 H629 Q633 Q658A451-S635 PolarHBondContact N-OG 3.05Å; H629-S635 PolarHBondContact CE1-OG 3.21Å; H629-S635 WeakPolarHBondContact NE2-CB 3.08Å; H629-S635 PolarHBondContact NE2-OG 2.96Å; Q633-S635 PolarHBondContact O-N 3.38Å; S635-Q658 WeakPolarHBondContact CB-O 3.36Å
636N91.1Very high89.4Confident28 Ų2853.7 Ų53.715%0.1525%0.248CC..  trans-134.3107179.7-172.2-34.6000111.4A451 K638 Q639 A640 T652 G657 E698A451-N636 WeakPolarHBondContact CB-O 3.44Å; N636-K638 VanDerWaalsContact C-N 3.31Å; N636-K638 PolarHBondContact O-N 3.17Å; N636-K638 WeakPolarHBondContact OD1-CB 3.3Å; N636-K638 PolarHBondContact OD1-N 3.21Å; N636-Q639 HydrophobicContact CB-CB 4.14Å; N636-Q639 PolarHBondContact O-N 2.95Å; N636-Q639 VanDerWaalsContact O-N 3.1Å; N636-Q639 PolarHBondContact OD1-N 3.45Å; N636-A640 PolarHBondContact O-N 3.23Å; N636-T652 HydrophobicContact CB-CG2 4.05Å; N636-T652 WeakPolarHBondContact CB-OG1 3.43Å; N636-G657 PolarHBondContact N-O 3.39Å; N636-E698 PolarHBondContact ND2-OE1 3.06Å
637W86.5Confident89.2Confident127 Ų12758.7 Ų58.748%0.48128%0.279SS..Hα-helixtrans-52-45.5178.2177.7-86.6000113.9A451 Q639 A640 N641A451-W637 WeakPolarHBondContact O-CZ3 3.45Å; W637-Q639 PolarHBondContact O-N 3.46Å; W637-A640 PolarHBondContact O-N 2.98Å; W637-N641 VanDerWaalsContact CZ2-ND2 3.27Å; W637-N641 WeakPolarHBondContact CZ2-ND2 3.46Å; W637-N641 PolarHBondContact NE1-ND2 3.27Å; W637-N641 PolarHBondContact O-N 3.03Å; W637-N641 VanDerWaalsContact O-N 3.11Å; W637-N641 PolarHBondContact O-ND2 3.02Å
638K88.6Confident89.2Confident126 Ų12657.3 Ų57.355%0.54828%0.278SS..Hα-helixtrans-67-26.3-176.3-66.4-177.7179.5176.40111.6N636 R642 I649N636-K638 VanDerWaalsContact C-N 3.31Å; N636-K638 PolarHBondContact O-N 3.17Å; N636-K638 WeakPolarHBondContact OD1-CB 3.3Å; N636-K638 PolarHBondContact OD1-N 3.21Å; K638-R642 WeakPolarHBondContact O-CB 3.47Å; K638-I649 HydrophobicContact CB-CD1 3.62Å
639Q90.5Very high89.1Confident13 Ų1359.5 Ų59.56%0.06129%0.289CS..Hα-helixtrans-83.7-39.5175.6-178.258.462.900111.8N636 W637 R642 I649N636-Q639 HydrophobicContact CB-CB 4.14Å; N636-Q639 PolarHBondContact O-N 2.95Å; N636-Q639 VanDerWaalsContact O-N 3.1Å; N636-Q639 PolarHBondContact OD1-N 3.45Å; W637-Q639 PolarHBondContact O-N 3.46Å; Q639-R642 VanDerWaalsContact O-CB 3.28Å; Q639-R642 WeakPolarHBondContact O-CB 3.48Å; Q639-R642 PolarHBondContact O-N 3.09Å; Q639-I649 HydrophobicContact CB-CG1 4.23Å; Q639-I649 VanDerWaalsContact OE1-CG1 3.27Å
640A87.3Confident89.1Confident25 Ų2559.3 Ų59.321%0.20729%0.288CS..Hα-helixtrans-64.5-40.8-18000000112.7A451 I452 N636 W637 R642A451-A640 HydrophobicContact CB-CB 3.57Å; A451-A640 WeakPolarHBondContact O-CB 3.39Å; I452-A640 HydrophobicContact CG1-CB 4.13Å; N636-A640 PolarHBondContact O-N 3.23Å; W637-A640 PolarHBondContact O-N 2.98Å; A640-R642 PolarHBondContact O-N 3.38Å
641N87.1Confident89.2Confident91 Ų9158 Ų5849%0.48728%0.282SS..THydrogen-bonded Turntrans-88.616.3179.2-61.1-75.1000113A451 W637A451-N641 PolarHBondContact O-ND2 3.43Å; W637-N641 VanDerWaalsContact CZ2-ND2 3.27Å; W637-N641 WeakPolarHBondContact CZ2-ND2 3.46Å; W637-N641 PolarHBondContact NE1-ND2 3.27Å; W637-N641 PolarHBondContact O-N 3.03Å; W637-N641 VanDerWaalsContact O-N 3.11Å; W637-N641 PolarHBondContact O-ND2 3.02Å
642R86.8Confident89.3Confident70 Ų7057.2 Ų57.226%0.26428%0.278SS..SBendtrans-95.8131-179.4-163.6166.8-176.990.2-6.4109.5K638 Q639 A640 V644 R646 T647K638-R642 WeakPolarHBondContact O-CB 3.47Å; Q639-R642 VanDerWaalsContact O-CB 3.28Å; Q639-R642 WeakPolarHBondContact O-CB 3.48Å; Q639-R642 PolarHBondContact O-N 3.09Å; A640-R642 PolarHBondContact O-N 3.38Å; R642-V644 PolarHBondContact O-N 3.02Å; R642-R646 HydrophobicContact CG-CB 3.88Å; R642-T647 PolarHBondContact NE-O 3.33Å; R642-T647 PolarHBondContact NH2-O 2.93Å; R642-T647 PolarHBondContact NH2-OG1 2.86Å
643H86.5Confident89.3Confident118 Ų11858.5 Ų58.555%0.54628%0.283SS..  trans-57.7139.9171.3-165.1-96.7000110.8D645 R646H643-D645 IonicContact CE1-OD2 3.53Å; H643-D645 PolarHBondContact CE1-OD2 3.4Å; H643-D645 PolarHBondContact ND1-N 2.85Å; H643-D645 IonicContact ND1-OD2 2.82Å; H643-D645 PolarHBondContact ND1-OD2 2.99Å; H643-D645 PolarHBondContact O-N 3.47Å; H643-R646 HydrophobicContact CB-CG 4.27Å; H643-R646 WeakPolarHBondContact O-CB 3.37Å; H643-R646 PolarHBondContact O-N 3.37Å
644V81.9Confident89.5Confident49 Ų4955.1 Ų55.130%0.29727%0.267SS..THydrogen-bonded Turntrans-63.8-29.5-171.9-177.20000112.9H338 S340 R642 R646H338-V644 HydrophobicContact CB-CG1 3.82Å; S340-V644 VanDerWaalsContact OG-CG1 3.29Å; S340-V644 WeakPolarHBondContact OG-CG1 3.4Å; R642-V644 PolarHBondContact O-N 3.02Å; V644-R646 PolarHBondContact O-N 2.96Å
645D81.4Confident89.5Confident94 Ų9455.2 Ų55.250%0.50327%0.267SS..THydrogen-bonded Turntrans-72.5-13.5176.6-66.8-43.8000113.9R341 H643R341-D645 VanDerWaalsContact CD-OD1 3.25Å; R341-D645 WeakPolarHBondContact CD-OD1 3.01Å; R341-D645 IonicContact CZ-OD1 3.77Å; R341-D645 IonicContact NE-OD1 3.27Å; R341-D645 IonicContact NH1-OD1 3.73Å; R341-D645 PolarHBondContact NH1-OD1 3.45Å; H643-D645 IonicContact CE1-OD2 3.53Å; H643-D645 PolarHBondContact CE1-OD2 3.4Å; H643-D645 PolarHBondContact ND1-N 2.85Å; H643-D645 IonicContact ND1-OD2 2.82Å; H643-D645 PolarHBondContact ND1-OD2 2.99Å; H643-D645 PolarHBondContact O-N 3.47Å
646R86.2Confident89.3Confident159 Ų15955.6 Ų55.660%0.627%0.27SS*.SBendtrans-80.7155.7177.9-67-176.9176.3-173.8-0.5110.5R642 H643 V644 V648R642-R646 HydrophobicContact CG-CB 3.88Å; H643-R646 HydrophobicContact CB-CG 4.27Å; H643-R646 WeakPolarHBondContact O-CB 3.37Å; H643-R646 PolarHBondContact O-N 3.37Å; V644-R646 PolarHBondContact O-N 2.96Å; R646-V648 PolarHBondContact O-N 3.46Å
647T87.1Confident89.2Confident104 Ų10454.2 Ų54.264%0.63826%0.263SS*.PPolyproline II helixtrans-54.2129.6178.551.30000112.3R642R642-T647 PolarHBondContact NE-O 3.33Å; R642-T647 PolarHBondContact NH2-O 2.93Å; R642-T647 PolarHBondContact NH2-OG1 2.86Å
648V90.5Very high89.4Confident42 Ų4248.8 Ų48.826%0.25524%0.242SC..PPolyproline II helixtrans-67.9135.8177.6-177.10000110.1R646 S650 Y653 F783R646-V648 PolarHBondContact O-N 3.46Å; V648-S650 WeakPolarHBondContact CG1-O 3.33Å; V648-Y653 HydrophobicContact CB-CG 4.36Å; V648-Y653 HydrophobicContact CG1-CD1 3.91Å; V648-Y653 HydrophobicContact CG1-CD2 4.09Å; V648-Y653 HydrophobicContact CG1-CG 3.55Å; V648-Y653 HydrophobicContact CG2-CD1 4.01Å; V648-Y653 HydrophobicContact CG2-CD2 3.64Å; V648-Y653 HydrophobicContact CG2-CE1 3.94Å; V648-Y653 HydrophobicContact CG2-CE2 3.53Å; V648-Y653 HydrophobicContact CG2-CG 3.81Å; V648-F783 HydrophobicContact CB-CD2 4.39Å; V648-F783 HydrophobicContact CB-CE2 3.73Å; V648-F783 HydrophobicContact CB-CZ 4.5Å; V648-F783 HydrophobicContact CG1-CD2 3.89Å; V648-F783 HydrophobicContact CG1-CE2 3.35Å; V648-F783 HydrophobicContact CG1-CZ 3.88Å
649I90.8Very high89.7Confident58 Ų5842.8 Ų42.830%0.29722%0.216SC..  trans-116-17.9-176.160.3168.5000113.8K638 Q639 R787K638-I649 HydrophobicContact CB-CD1 3.62Å; Q639-I649 HydrophobicContact CB-CG1 4.23Å; Q639-I649 VanDerWaalsContact OE1-CG1 3.27Å; I649-R787 PolarHBondContact O-NH1 3.33Å
650S92.9Very high90Very high0 Ų042.2 Ų42.20%021%0.214CC..SBendtrans-140145.9-175.3165.40000111.3V648 T652 Y653 E698 F783V648-S650 WeakPolarHBondContact CG1-O 3.33Å; S650-T652 WeakPolarHBondContact CB-OG1 3.28Å; S650-T652 PolarHBondContact O-N 3.02Å; S650-T652 VanDerWaalsContact O-N 3.11Å; S650-T652 WeakPolarHBondContact OG-CB 3.42Å; S650-T652 WeakPolarHBondContact OG-CG2 3.43Å; S650-T652 PolarHBondContact OG-N 2.87Å; S650-T652 PolarHBondContact OG-OG1 3.28Å; S650-Y653 VanDerWaalsContact O-CB 3.31Å; S650-Y653 WeakPolarHBondContact O-CB 3.34Å; S650-Y653 PolarHBondContact O-N 3.11Å; S650-Y653 VanDerWaalsContact O-N 3.17Å; S650-E698 VanDerWaalsContact CB-OE1 3.3Å; S650-E698 WeakPolarHBondContact CB-OE1 3.47Å; S650-E698 PolarHBondContact OG-OE1 3.26Å; S650-E698 VanDerWaalsContact OG-OE1 3.1Å; S650-F783 VanDerWaalsContact C-CE1 3.41Å
651P94Very high90.5Very high0 Ų041 Ų410%020%0.204CC..G310 helixtrans-58.7-20.9171.425.3-34.5000113.1Y653 V654 V664 A780 F783 V784P651-Y653 PolarHBondContact O-N 3.02Å; P651-V654 PolarHBondContact O-N 3.12Å; P651-V664 HydrophobicContact CB-CG1 4Å; P651-V664 HydrophobicContact CG-CG1 3.96Å; P651-A780 HydrophobicContact CB-CB 4.26Å; P651-F783 HydrophobicContact CB-CD1 3.95Å; P651-V784 HydrophobicContact CB-CG2 3.96Å; P651-V784 HydrophobicContact CG-CG2 3.97Å
652T94Very high90.9Very high0 Ų036.9 Ų36.90%018%0.182CC..G310 helixtrans-59.3-18.4176.959.90000113.7N636 S650 V654 Y655 S656 G657 H659 C660N636-T652 HydrophobicContact CB-CG2 4.05Å; N636-T652 WeakPolarHBondContact CB-OG1 3.43Å; S650-T652 WeakPolarHBondContact CB-OG1 3.28Å; S650-T652 PolarHBondContact O-N 3.02Å; S650-T652 VanDerWaalsContact O-N 3.11Å; S650-T652 WeakPolarHBondContact OG-CB 3.42Å; S650-T652 WeakPolarHBondContact OG-CG2 3.43Å; S650-T652 PolarHBondContact OG-N 2.87Å; S650-T652 PolarHBondContact OG-OG1 3.28Å; T652-V654 PolarHBondContact O-N 3.49Å; T652-Y655 CarbonylContact O-C 3.56Å; T652-Y655 VanDerWaalsContact O-C 3.26Å; T652-Y655 WeakPolarHBondContact O-CA 3.36Å; T652-Y655 PolarHBondContact O-N 3.41Å; T652-S656 PolarHBondContact O-N 2.96Å; T652-G657 WeakPolarHBondContact O-CA 3.42Å; T652-G657 PolarHBondContact O-N 2.79Å; T652-G657 WeakPolarHBondContact OG1-CA 3.43Å; T652-H659 VanDerWaalsContact CA-O 3.22Å; T652-H659 WeakPolarHBondContact CA-O 3.37Å; T652-C660 HydrophobicContact CG2-CB 3.66Å
653Y93.6Very high91.4Very high27 Ų2733.6 Ų33.611%0.10617%0.169CC..G310 helixtrans-50.2-35.3173159.6-100.7000114.3T290 H338 V648 S650 P651 Y655 S656T290-Y653 HydrophobicContact CG2-CE1 4.33Å; H338-Y653 WeakPolarHBondContact CA-OH 3.43Å; H338-Y653 HydrophobicContact CB-CE1 4.34Å; H338-Y653 HydrophobicContact CB-CE2 3.52Å; H338-Y653 WeakPolarHBondContact CB-OH 3.38Å; H338-Y653 PolarHBondContact N-OH 3.27Å; V648-Y653 HydrophobicContact CB-CG 4.36Å; V648-Y653 HydrophobicContact CG1-CD1 3.91Å; V648-Y653 HydrophobicContact CG1-CD2 4.09Å; V648-Y653 HydrophobicContact CG1-CG 3.55Å; V648-Y653 HydrophobicContact CG2-CD1 4.01Å; V648-Y653 HydrophobicContact CG2-CD2 3.64Å; V648-Y653 HydrophobicContact CG2-CE1 3.94Å; V648-Y653 HydrophobicContact CG2-CE2 3.53Å; V648-Y653 HydrophobicContact CG2-CG 3.81Å; S650-Y653 VanDerWaalsContact O-CB 3.31Å; S650-Y653 WeakPolarHBondContact O-CB 3.34Å; S650-Y653 PolarHBondContact O-N 3.11Å; S650-Y653 VanDerWaalsContact O-N 3.17Å; P651-Y653 PolarHBondContact O-N 3.02Å; Y653-Y655 PolarHBondContact O-N 3.03Å; Y653-Y655 VanDerWaalsContact O-N 3.12Å; Y653-S656 PolarHBondContact O-N 3.45Å
654V95.1Very high91.9Very high2 Ų228 Ų281%0.01214%0.144CC..G310 helixtrans-56.9-29.5176.9178.60000111.3P288 M289 T290 P651 T652 A779 A780P288-V654 HydrophobicContact CB-CG1 4Å; M289-V654 PolarHBondContact N-O 3.29Å; T290-V654 HydrophobicContact CG2-CB 4.41Å; T290-V654 HydrophobicContact CG2-CG1 4.19Å; T290-V654 HydrophobicContact CG2-CG2 4.03Å; P651-V654 PolarHBondContact O-N 3.12Å; T652-V654 PolarHBondContact O-N 3.49Å; V654-A779 HydrophobicContact CG2-CB 4.1Å; V654-A780 HydrophobicContact CG2-CB 4.02Å
655Y94.1Very high92.5Very high8 Ų825.8 Ų25.83%0.03113%0.13CC..G310 helixtrans-119.141.6177.9-55.8-83.2000111T283 L286 P288 T652 Y653 G657 Q658 H659 P661T283-Y655 HydrophobicContact CG2-CE2 4.35Å; T283-Y655 VanDerWaalsContact CG2-OH 3.25Å; T283-Y655 WeakPolarHBondContact CG2-OH 3.31Å; L286-Y655 HydrophobicContact CB-CD1 3.75Å; L286-Y655 HydrophobicContact CB-CE1 3.73Å; L286-Y655 HydrophobicContact CD1-CD1 4.14Å; P288-Y655 HydrophobicContact CB-CE1 3.98Å; T652-Y655 CarbonylContact O-C 3.56Å; T652-Y655 VanDerWaalsContact O-C 3.26Å; T652-Y655 WeakPolarHBondContact O-CA 3.36Å; T652-Y655 PolarHBondContact O-N 3.41Å; Y653-Y655 PolarHBondContact O-N 3.03Å; Y653-Y655 VanDerWaalsContact O-N 3.12Å; Y655-G657 PolarHBondContact O-N 3.41Å; Y655-Q658 WeakPolarHBondContact O-CB 3.31Å; Y655-Q658 PolarHBondContact O-N 3Å; Y655-H659 HydrophobicContact CG-CB 4.31Å; Y655-P661 HydrophobicContact CE2-CG 3.8Å
656S88.6Confident93.2Very high26 Ų2621.3 Ų21.318%0.18211%0.106CC..THydrogen-bonded Turntrans55.328.9176.4-57.80000115.2T652 Y653 Q658T652-S656 PolarHBondContact O-N 2.96Å; Y653-S656 PolarHBondContact O-N 3.45Å; S656-Q658 VanDerWaalsContact C-N 3.28Å; S656-Q658 PolarHBondContact O-N 2.92Å
657G89.1Confident93.6Very high0 Ų013.7 Ų13.70%08%0.077CC..THydrogen-bonded Turntrans85.1-7.7-178.200000115A451 N636 T652 Y655A451-G657 WeakPolarHBondContact CB-O 3.28Å; N636-G657 PolarHBondContact N-O 3.39Å; T652-G657 WeakPolarHBondContact O-CA 3.42Å; T652-G657 PolarHBondContact O-N 2.79Å; T652-G657 WeakPolarHBondContact OG1-CA 3.43Å; Y655-G657 PolarHBondContact O-N 3.41Å
658Q91.2Very high94Very high12 Ų128.9 Ų8.96%0.0565%0.047CC..SBendtrans-86.8-26.8-169.3-60-179.8-7.400114.2S439 L442 L450 I452 S635 Y655 S656S439-Q658 PolarHBondContact OG-NE2 3.48Å; S439-Q658 PolarHBondContact OG-OE1 3.26Å; S439-Q658 VanDerWaalsContact OG-OE1 3.13Å; L442-Q658 HydrophobicContact CD1-CB 4.04Å; L450-Q658 HydrophobicContact CD2-CB 4.09Å; L450-Q658 HydrophobicContact CD2-CG 4.02Å; L450-Q658 HydrophobicContact CG-CB 4.43Å; I452-Q658 HydrophobicContact CD1-CG 4.05Å; I452-Q658 HydrophobicContact CG1-CG 4.4Å; S635-Q658 WeakPolarHBondContact CB-O 3.36Å; Y655-Q658 WeakPolarHBondContact O-CB 3.31Å; Y655-Q658 PolarHBondContact O-N 3Å; S656-Q658 VanDerWaalsContact C-N 3.28Å; S656-Q658 PolarHBondContact O-N 2.92Å
659H95.2Very high94.1Very high1 Ų17 Ų71%0.0054%0.036CC..  trans-146.3147.5-177.1-175.365.7000111.4T283 L286 L442 L634 T652 Y655T283-H659 PolarHBondContact OG1-NE2 3.43Å; L286-H659 HydrophobicContact CD1-CB 3.6Å; L286-H659 VanDerWaalsContact CD1-CD2 3.43Å; L286-H659 WeakPolarHBondContact CD1-CD2 3.44Å; L442-H659 HydrophobicContact CD1-CB 4.43Å; L634-H659 CarbonylContact O-C 3.58Å; L634-H659 WeakPolarHBondContact O-CA 3.46Å; T652-H659 VanDerWaalsContact CA-O 3.22Å; T652-H659 WeakPolarHBondContact CA-O 3.37Å; Y655-H659 HydrophobicContact CG-CB 4.31Å
660C96Very high94.2Very high0 Ų04.2 Ų4.20%02%0.022CC..  trans-124.5129.7173.1-176.40000106.7L634 T652 L662 R665L634-C660 WeakPolarHBondContact O-CB 3.38Å; L634-C660 PolarHBondContact O-N 3.4Å; T652-C660 HydrophobicContact CG2-CB 3.66Å; C660-L662 PolarHBondContact O-N 2.96Å; C660-R665 HydrophobicContact CB-CG 4.32Å
661P97.7Very high94.2Very high0 Ų05 Ų50%03%0.025CC..  trans-53.9136.9173.7-2735.5000111.8T283 Y655 V663 V664 R665 E777 A780T283-P661 HydrophobicContact CG2-CB 3.94Å; T283-P661 HydrophobicContact CG2-CG 3.81Å; T283-P661 WeakPolarHBondContact OG1-CA 3.48Å; Y655-P661 HydrophobicContact CE2-CG 3.8Å; P661-V663 VanDerWaalsContact C-N 3.28Å; P661-V663 HydrophobicContact CB-CG1 4.03Å; P661-V663 PolarHBondContact O-N 2.8Å; P661-V664 HydrophobicContact CB-CB 4.49Å; P661-V664 HydrophobicContact CB-CG2 3.92Å; P661-V664 HydrophobicContact CG-CG2 4.24Å; P661-V664 WeakPolarHBondContact O-CB 3.33Å; P661-V664 PolarHBondContact O-N 3.27Å; P661-V664 VanDerWaalsContact O-N 3.08Å; P661-R665 PolarHBondContact O-N 3.22Å; P661-E777 HydrophobicContact CB-CG 4.05Å; P661-E777 HydrophobicContact CG-CG 4.16Å; P661-A780 HydrophobicContact CG-CB 3.93Å
662L96.4Very high94Very high5 Ų56 Ų63%0.0263%0.032CC..Hα-helixtrans-60-43.5-174.6-173.760.6000111.3F275 L279 D280 L632 L634 C660 V664 R665 L666 M712F275-L662 HydrophobicContact CE2-CB 4.48Å; F275-L662 HydrophobicContact CE2-CD2 4.15Å; F275-L662 HydrophobicContact CE2-CG 4.23Å; F275-L662 HydrophobicContact CZ-CB 4.02Å; F275-L662 HydrophobicContact CZ-CD2 3.92Å; F275-L662 HydrophobicContact CZ-CG 4.15Å; L279-L662 WeakPolarHBondContact O-CD2 3.36Å; D280-L662 HydrophobicContact CB-CB 3.89Å; D280-L662 HydrophobicContact CB-CD2 4.23Å; D280-L662 WeakPolarHBondContact OD2-CB 3.39Å; D280-L662 PolarHBondContact OD2-N 3.2Å; L632-L662 HydrophobicContact CD1-CD1 3.12Å; L634-L662 HydrophobicContact CD2-CD1 4.39Å; C660-L662 PolarHBondContact O-N 2.96Å; L662-V664 PolarHBondContact O-N 2.9Å; L662-R665 PolarHBondContact O-N 3.43Å; L662-R665 VanDerWaalsContact O-N 3.13Å; L662-L666 HydrophobicContact CG-CD1 4.05Å; L662-L666 HydrophobicContact CG-CG 4.33Å; L662-L666 WeakPolarHBondContact O-CG 3.21Å; L662-L666 PolarHBondContact O-N 3.5Å; L662-M712 HydrophobicContact CD2-CE 3.48Å; L662-M712 VanDerWaalsContact CD2-CE 3.48Å; L662-M712 HydrophobicContact CD2-SD 3.84Å; L662-M712 HydrophobicContact CG-CE 4.38Å; L662-M712 HydrophobicContact CG-SD 4.49Å
663V97.2Very high93.7Very high0 Ų06.4 Ų6.40%04%0.035CC..Hα-helixtrans-53.3-36.3176.767.60000113.1L273 F275 P661 L667 V767 F769L273-V663 HydrophobicContact CD2-CG2 3.79Å; F275-V663 HydrophobicContact CB-CG2 3.92Å; F275-V663 HydrophobicContact CD1-CB 4.02Å; F275-V663 HydrophobicContact CD1-CG2 4.28Å; F275-V663 HydrophobicContact CD2-CB 4.26Å; F275-V663 HydrophobicContact CD2-CG2 4.33Å; F275-V663 HydrophobicContact CE1-CB 4.3Å; F275-V663 HydrophobicContact CG-CB 4Å; F275-V663 HydrophobicContact CG-CG2 3.91Å; P661-V663 VanDerWaalsContact C-N 3.28Å; P661-V663 HydrophobicContact CB-CG1 4.03Å; P661-V663 PolarHBondContact O-N 2.8Å; V663-L667 WeakPolarHBondContact O-CB 3.44Å; V663-L667 PolarHBondContact O-N 3.14Å; V663-V767 HydrophobicContact CG2-CG1 3.69Å; V663-F769 HydrophobicContact CB-CE1 4.05Å; V663-F769 HydrophobicContact CB-CZ 4.16Å; V663-F769 HydrophobicContact CG1-CE1 3.85Å; V663-F769 HydrophobicContact CG1-CZ 3.7Å; V663-F769 HydrophobicContact CG2-CE1 3.88Å; V663-F769 HydrophobicContact CG2-CZ 3.74Å
664V96.9Very high93.2Very high1 Ų15.1 Ų5.11%0.0063%0.03CC..Hα-helixtrans-69.2-45.7-179.5175.60000110.3P651 P661 L662 L667 E668 A780 L781 V784P651-V664 HydrophobicContact CB-CG1 4Å; P651-V664 HydrophobicContact CG-CG1 3.96Å; P661-V664 HydrophobicContact CB-CB 4.49Å; P661-V664 HydrophobicContact CB-CG2 3.92Å; P661-V664 HydrophobicContact CG-CG2 4.24Å; P661-V664 WeakPolarHBondContact O-CB 3.33Å; P661-V664 PolarHBondContact O-N 3.27Å; P661-V664 VanDerWaalsContact O-N 3.08Å; L662-V664 PolarHBondContact O-N 2.9Å; V664-L667 PolarHBondContact O-N 3.34Å; V664-E668 PolarHBondContact O-N 2.62Å; V664-E668 VanDerWaalsContact O-N 3.09Å; V664-A780 HydrophobicContact CG2-CB 3.83Å; V664-L781 HydrophobicContact CG2-CD2 3.86Å; V664-L781 HydrophobicContact CG2-CG 4.01Å; V664-V784 HydrophobicContact CG1-CB 4.33Å; V664-V784 HydrophobicContact CG1-CG2 3.44Å; V664-V784 VanDerWaalsContact CG1-CG2 3.44Å
665R95.1Very high92.6Very high2 Ų26.7 Ų6.71%0.0084%0.038CC..Hα-helixtrans-66.4-42.4177.8-70.4-58-167.6-152.12.5112.2L632 Q633 L634 C660 P661 L662 L667 E668 S669 E698L632-R665 HydrophobicContact CB-CB 4.42Å; L632-R665 WeakPolarHBondContact O-CG 3.33Å; L632-R665 PolarHBondContact O-NE 3.02Å; Q633-R665 PolarHBondContact O-NE 2.92Å; Q633-R665 PolarHBondContact O-NH2 3.39Å; Q633-R665 VanDerWaalsContact O-NH2 3.12Å; L634-R665 HydrophobicContact CD2-CB 4.49Å; L634-R665 HydrophobicContact CD2-CG 3.87Å; C660-R665 HydrophobicContact CB-CG 4.32Å; P661-R665 PolarHBondContact O-N 3.22Å; L662-R665 PolarHBondContact O-N 3.43Å; L662-R665 VanDerWaalsContact O-N 3.13Å; R665-L667 VanDerWaalsContact C-N 3.34Å; R665-E668 IonicContact NH1-OE2 3.82Å; R665-S669 WeakPolarHBondContact O-CB 3.49Å; R665-S669 PolarHBondContact O-N 2.88Å; R665-S669 VanDerWaalsContact O-N 3.09Å; R665-S669 PolarHBondContact O-OG 3.01Å; R665-E698 IonicContact CZ-OE1 2.75Å; R665-E698 IonicContact CZ-OE2 3.87Å; R665-E698 IonicContact NH1-OE1 3.23Å; R665-E698 IonicContact NH1-OE2 3.26Å; R665-E698 PolarHBondContact NH1-OE2 3.06Å; R665-E698 IonicContact NH2-OE1 2.67Å; R665-E698 PolarHBondContact NH2-OE1 2.73Å; R665-E698 IonicContact NH2-OE2 2.83Å
666L95.2Very high91.5Very high0 Ų012.4 Ų12.40%07%0.069CC..Hα-helixtrans-60.8-46176.2-67.4178.4000110.8F193 L273 F275 L632 L662 S669 V670 L705 L709 M712F193-L666 HydrophobicContact CD2-CD1 4.24Å; F193-L666 HydrophobicContact CG-CD1 4.45Å; L273-L666 HydrophobicContact CD1-CB 4.34Å; F275-L666 HydrophobicContact CD2-CD1 4.02Å; F275-L666 HydrophobicContact CE2-CD1 3.65Å; L632-L666 HydrophobicContact CD1-CD2 4.49Å; L662-L666 HydrophobicContact CG-CD1 4.05Å; L662-L666 HydrophobicContact CG-CG 4.33Å; L662-L666 WeakPolarHBondContact O-CG 3.21Å; L662-L666 PolarHBondContact O-N 3.5Å; L666-S669 PolarHBondContact O-N 2.8Å; L666-V670 WeakPolarHBondContact O-CB 3.38Å; L666-V670 VanDerWaalsContact O-CG2 3.24Å; L666-V670 WeakPolarHBondContact O-CG2 3.37Å; L666-V670 PolarHBondContact O-N 3.38Å; L666-L705 HydrophobicContact CD2-CD1 3.55Å; L666-L709 HydrophobicContact CD2-CD2 3.92Å; L666-M712 HydrophobicContact CD1-CE 4.09Å; L666-M712 HydrophobicContact CD1-SD 4.37Å
667L96.1Very high90.5Very high0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-61.6-48.9-179.6-177.461.3000113L271 L273 V663 V664 R665 S669 V670 W671 I765 V767 L781 W790L271-L667 HydrophobicContact CD2-CD1 4.4Å; L273-L667 HydrophobicContact CB-CD1 4.05Å; L273-L667 HydrophobicContact CD1-CB 3.92Å; L273-L667 HydrophobicContact CD1-CD1 3.95Å; V663-L667 WeakPolarHBondContact O-CB 3.44Å; V663-L667 PolarHBondContact O-N 3.14Å; V664-L667 PolarHBondContact O-N 3.34Å; R665-L667 VanDerWaalsContact C-N 3.34Å; L667-S669 VanDerWaalsContact C-N 3.28Å; L667-S669 PolarHBondContact O-N 3.16Å; L667-V670 PolarHBondContact O-N 3.42Å; L667-W671 WeakPolarHBondContact O-CB 3.46Å; L667-W671 PolarHBondContact O-N 3.03Å; L667-I765 HydrophobicContact CD1-CG2 3.94Å; L667-I765 HydrophobicContact CD2-CG2 3.91Å; L667-I765 HydrophobicContact CG-CG2 4.41Å; L667-V767 HydrophobicContact CD2-CG2 3.59Å; L667-L781 HydrophobicContact CD2-CD2 3.64Å; L667-W790 HydrophobicContact CD2-CE3 4.39Å; L667-W790 HydrophobicContact CD2-CH2 4.22Å; L667-W790 HydrophobicContact CD2-CZ3 3.59Å; L667-W790 HydrophobicContact CG-CH2 3.87Å; L667-W790 HydrophobicContact CG-CZ3 3.76Å
668E94Very high88.7Confident2 Ų218 Ų181%0.00910%0.1CC..Hα-helixtrans-59.1-41.6176.2-74.9-165104.100112V664 R665 S672 L699 V784 R787 R788 W790V664-E668 PolarHBondContact O-N 2.62Å; V664-E668 VanDerWaalsContact O-N 3.09Å; R665-E668 IonicContact NH1-OE2 3.82Å; E668-S672 VanDerWaalsContact O-CB 3.24Å; E668-S672 WeakPolarHBondContact O-CB 3.39Å; E668-S672 PolarHBondContact O-N 2.81Å; E668-L699 HydrophobicContact CB-CD2 4.28Å; E668-V784 VanDerWaalsContact CD-CG1 3.47Å; E668-V784 HydrophobicContact CG-CG1 3.38Å; E668-V784 HydrophobicContact CG-CG2 4.49Å; E668-V784 WeakPolarHBondContact OE1-CG1 3.3Å; E668-R787 IonicContact OE1-CZ 3.71Å; E668-R787 IonicContact OE1-NE 3.74Å; E668-R787 IonicContact OE1-NH2 2.91Å; E668-R787 PolarHBondContact OE1-NH2 3.38Å; E668-R787 IonicContact OE2-NH2 2.89Å; E668-R787 PolarHBondContact OE2-NH2 3.45Å; E668-R788 IonicContact OE1-CZ 3.46Å; E668-R788 IonicContact OE1-NE 3.14Å; E668-R788 PolarHBondContact OE1-NE 2.91Å; E668-R788 IonicContact OE1-NH2 2.92Å; E668-R788 PolarHBondContact OE1-NH2 3.07Å; E668-W790 HydrophobicContact CB-CH2 4.4Å; E668-W790 HydrophobicContact CG-CH2 3.72Å; E668-W790 HydrophobicContact CG-CZ2 4.41Å
669S92.8Very high86.1Confident2 Ų225.8 Ų25.81%0.01413%0.134CC..Hα-helixtrans-72.5-41.3-176.1-510000111.8R665 L666 L667 S672 A673 I700R665-S669 WeakPolarHBondContact O-CB 3.49Å; R665-S669 PolarHBondContact O-N 2.88Å; R665-S669 VanDerWaalsContact O-N 3.09Å; R665-S669 PolarHBondContact O-OG 3.01Å; L666-S669 PolarHBondContact O-N 2.8Å; L667-S669 VanDerWaalsContact C-N 3.28Å; L667-S669 PolarHBondContact O-N 3.16Å; S669-S672 PolarHBondContact O-N 2.82Å; S669-A673 WeakPolarHBondContact O-CB 3.44Å; S669-A673 PolarHBondContact O-N 3.03Å; S669-I700 WeakPolarHBondContact OG-CB 3.49Å
670V92.7Very high83.2Confident1 Ų135.5 Ų35.51%0.00618%0.176CC..Hα-helixtrans-63.6-45.3174.4168.70000111F193 L271 L666 L667 A673 G674 L705 L722F193-V670 HydrophobicContact CE2-CG2 4.4Å; F193-V670 HydrophobicContact CZ-CG2 4.01Å; L271-V670 HydrophobicContact CD1-CG1 4.14Å; L271-V670 HydrophobicContact CD2-CG1 4.5Å; L666-V670 WeakPolarHBondContact O-CB 3.38Å; L666-V670 VanDerWaalsContact O-CG2 3.24Å; L666-V670 WeakPolarHBondContact O-CG2 3.37Å; L666-V670 PolarHBondContact O-N 3.38Å; L667-V670 PolarHBondContact O-N 3.42Å; V670-A673 PolarHBondContact O-N 3.1Å; V670-G674 PolarHBondContact O-N 3.47Å; V670-L705 HydrophobicContact CG2-CD2 4.33Å; V670-L722 HydrophobicContact CG2-CB 4.42Å
671W93.1Very high80.1Confident17 Ų1744.5 Ų44.56%0.06422%0.219CC..Hα-helixtrans-60.8-47.6176.3170.276.3000111.6L271 L667 G674 L675 V759 R788 W790L271-W671 HydrophobicContact CD2-CB 3.8Å; L271-W671 HydrophobicContact CD2-CG 4.47Å; L667-W671 WeakPolarHBondContact O-CB 3.46Å; L667-W671 PolarHBondContact O-N 3.03Å; W671-G674 PolarHBondContact O-N 3.15Å; W671-L675 HydrophobicContact CD2-CD1 3.94Å; W671-L675 HydrophobicContact CE3-CD1 4.21Å; W671-L675 HydrophobicContact CH2-CD1 3.76Å; W671-L675 HydrophobicContact CZ2-CD1 3.46Å; W671-L675 VanDerWaalsContact CZ2-CD1 3.46Å; W671-L675 HydrophobicContact CZ3-CD1 4.12Å; W671-L675 WeakPolarHBondContact O-CG 3.43Å; W671-L675 PolarHBondContact O-N 3.05Å; W671-V759 PolarHBondContact NE1-O 2.85Å; W671-R788 HydrophobicContact CH2-CB 4.45Å; W671-R788 HydrophobicContact CZ3-CG 4.44Å; W671-W790 HydrophobicContact CB-CZ2 3.94Å; W671-W790 AromaticContact CD1-NE1 3.91Å; W671-W790 AromaticContact CD2-CE2 3.89Å; W671-W790 AromaticContact CD2-CZ2 3.63Å; W671-W790 HydrophobicContact CD2-CZ2 3.63Å; W671-W790 AromaticContact CD2-NE1 3.55Å; W671-W790 AromaticContact CE2-NE1 3.25Å; W671-W790 AromaticContact CE3-CZ2 3.72Å; W671-W790 HydrophobicContact CE3-CZ2 3.72Å; W671-W790 AromaticContact CG-CZ2 3.75Å; W671-W790 HydrophobicContact CG-CZ2 3.75Å; W671-W790 AromaticContact CG-NE1 3.92Å; W671-W790 AromaticContact CZ2-NE1 3.54Å; W671-W790 HydrophobicContact CZ3-CZ2 4.41Å; W671-W790 AromaticContact NE1-NE1 3.53Å
672S90.7Very high76.8Confident21 Ų2149.9 Ų49.915%0.14726%0.256CS..Hα-helixtrans-61.1-46.3178.3179.60000112.4E668 S669 G674 L675 L676E668-S672 VanDerWaalsContact O-CB 3.24Å; E668-S672 WeakPolarHBondContact O-CB 3.39Å; E668-S672 PolarHBondContact O-N 2.81Å; S669-S672 PolarHBondContact O-N 2.82Å; S672-G674 VanDerWaalsContact C-N 3.34Å; S672-G674 PolarHBondContact O-N 2.92Å; S672-L675 WeakPolarHBondContact O-CB 3.42Å; S672-L675 PolarHBondContact O-N 3.05Å; S672-L676 PolarHBondContact O-N 3.29Å
673A86.9Confident73.7Confident8 Ų855.4 Ų55.47%0.06629%0.29CS..Hα-helixtrans-60.3-44.417700000111.5S669 V670 L675 L676 D677 L722S669-A673 WeakPolarHBondContact O-CB 3.44Å; S669-A673 PolarHBondContact O-N 3.03Å; V670-A673 PolarHBondContact O-N 3.1Å; A673-L675 VanDerWaalsContact C-N 3.27Å; A673-L675 PolarHBondContact O-N 2.93Å; A673-L676 PolarHBondContact O-N 3.41Å; A673-L676 VanDerWaalsContact O-N 3.14Å; A673-D677 PolarHBondContact O-N 2.93Å; A673-L722 HydrophobicContact CB-CD1 3.86Å
674G83.8Confident70.3Confident0 Ų065.2 Ų65.20%033%0.332CS..Hα-helixtrans-68.5-21.6178.700000114.6V670 W671 S672V670-G674 PolarHBondContact O-N 3.47Å; W671-G674 PolarHBondContact O-N 3.15Å; S672-G674 VanDerWaalsContact C-N 3.34Å; S672-G674 PolarHBondContact O-N 2.92Å
675L82.9Confident67Low35 Ų3569.8 Ų69.818%0.18336%0.364CS..Hα-helixtrans-72.2-38.2169.9-74.5174.6000112.1W671 S672 A673 S678 L758 V759W671-L675 HydrophobicContact CD2-CD1 3.94Å; W671-L675 HydrophobicContact CE3-CD1 4.21Å; W671-L675 HydrophobicContact CH2-CD1 3.76Å; W671-L675 HydrophobicContact CZ2-CD1 3.46Å; W671-L675 VanDerWaalsContact CZ2-CD1 3.46Å; W671-L675 HydrophobicContact CZ3-CD1 4.12Å; W671-L675 WeakPolarHBondContact O-CG 3.43Å; W671-L675 PolarHBondContact O-N 3.05Å; S672-L675 WeakPolarHBondContact O-CB 3.42Å; S672-L675 PolarHBondContact O-N 3.05Å; A673-L675 VanDerWaalsContact C-N 3.27Å; A673-L675 PolarHBondContact O-N 2.93Å; L675-S678 WeakPolarHBondContact O-CB 3.28Å; L675-S678 PolarHBondContact O-N 3.18Å; L675-S678 PolarHBondContact O-OG 3.35Å; L675-L758 HydrophobicContact CD2-CB 4.02Å; L675-L758 HydrophobicContact CG-CB 4.46Å; L675-V759 VanDerWaalsContact CD2-C 3.5Å
676L70.5Confident64.1Low128 Ų12877.7 Ų77.767%0.6741%0.407SS*.Hα-helixtrans-68.7-38.3179.3-66.4172000111.5S672 A673 S678 K679S672-L676 PolarHBondContact O-N 3.29Å; A673-L676 PolarHBondContact O-N 3.41Å; A673-L676 VanDerWaalsContact O-N 3.14Å; L676-S678 PolarHBondContact O-N 3.39Å; L676-K679 PolarHBondContact O-N 2.74Å
677D66.1Low61Low98 Ų9882.5 Ų82.552%0.52444%0.44SS..Hα-helixtrans-57.6-30.8171.9-69.9-21.3000112.1R189 A673 K679R189-D677 IonicContact NH2-OD2 3.23Å; A673-D677 PolarHBondContact O-N 2.93Å; D677-K679 VanDerWaalsContact C-N 3.32Å; D677-K679 PolarHBondContact O-N 3.46Å
678S52.2Low57.8Low46 Ų4687.9 Ų87.932%0.32248%0.478SS..THydrogen-bonded Turntrans-75.5-9.8-174.577.60000115.2L675 L676L675-S678 WeakPolarHBondContact O-CB 3.28Å; L675-S678 PolarHBondContact O-N 3.18Å; L675-S678 PolarHBondContact O-OG 3.35Å; L676-S678 PolarHBondContact O-N 3.39Å
679K37.1Very low55Low175 Ų17593 Ų9376%0.76152%0.52SS*.THydrogen-bonded Turntrans-120.721.8-165.8-93.7-169.9178.5-175.60117.9L676 D677L676-K679 PolarHBondContact O-N 2.74Å; D677-K679 VanDerWaalsContact C-N 3.32Å; D677-K679 PolarHBondContact O-N 3.46Å
680F33.3Very low52.1Low204 Ų20497.1 Ų97.190%0.89556%0.555SS**SBendtrans-11816.4172-97.7-79.9000116.4
681Q30.4Very low49Very low190 Ų190106 Ų10689%0.88860%0.596SS**SBendtrans-108.1108.1156.2-76.5-177.65.100109.4
682S29Very low46Very low112 Ų112113.7 Ų113.778%0.78363%0.633SS**SBendtrans102.9115165.6-147.70000117.4
683V30.7Very low43Very low121 Ų121120.1 Ų120.173%0.73367%0.666SS**  trans76102159-156.40000118.3S685V683-S685 PolarHBondContact O-N 2.98Å
684K26.7Very low40.6Very low206 Ų206128.4 Ų128.490%0.89670%0.702SS**  trans-53.8102.4156.3-67.9175.8176.5178.60109.7
685S27.6Very low38.7Very low97 Ų97131.7 Ų131.768%0.67873%0.726SS**  trans-103.4114.3158.852.90000108.9V683 S687V683-S685 PolarHBondContact O-N 2.98Å; S685-S687 PolarHBondContact O-N 3.18Å; S685-S687 VanDerWaalsContact O-N 3.14Å
686N34.1Very low37.6Very low169 Ų169133.8 Ų133.890%0.90474%0.737SS**  trans-70.3101.5170.1-70.5-19.7000108.2
687S30.6Very low37.2Very low100 Ų100134.7 Ų134.770%0.69974%0.736SS**  trans-133.7113.9164.158.90000110.2S685S685-S687 PolarHBondContact O-N 3.18Å; S685-S687 VanDerWaalsContact O-N 3.14Å
688S28.8Very low37.8Very low113 Ų113130.6 Ų130.679%0.7971%0.714SS**  trans-25.7140.117345.10000118.8A690S688-A690 VanDerWaalsContact C-N 3.35Å; S688-A690 PolarHBondContact O-N 3Å
689A35.1Very low39.4Very low109 Ų109130.9 Ų130.990%0.90171%0.711SS**SBendtrans-73.852.7-174.400000116.4
690A31.3Very low41.9Very low89 Ų89122.9 Ų122.974%0.73668%0.677SS**  trans-113.90.9-175.800000117.1S688S688-A690 VanDerWaalsContact C-N 3.35Å; S688-A690 PolarHBondContact O-N 3Å
691E28.3Very low44.5Very low189 Ų189115.9 Ų115.988%0.88366%0.657SS**SBendtrans-123.115.4-177-71.4-172.4164.700115.9N693E691-N693 PolarHBondContact O-N 3.13Å
692Q29.3Very low47.2Very low177 Ų177110.6 Ų110.683%0.82763%0.632SS**THydrogen-bonded Turntrans-89.423.2-177.2-71.7-163.3-8.500116.4
693N29.1Very low50.2Low157 Ų157110 Ų11084%0.8463%0.625SS**THydrogen-bonded Turntrans-905.6-179.5-83.9-10.5000115.8E691E691-N693 PolarHBondContact O-N 3.13Å
694H35.3Very low53.1Low181 Ų181106.9 Ų106.984%0.83860%0.603SS**  trans-109.360.4162.4-70.8-60.3000110.1D696H694-D696 PolarHBondContact O-N 3.46Å
695S43.7Very low56.3Low70 Ų7097 Ų9749%0.4956%0.56SS.*  trans-57113.2160.758.20000107.2F697S695-F697 VanDerWaalsContact C-N 3.31Å; S695-F697 WeakPolarHBondContact O-CD2 3.34Å; S695-F697 PolarHBondContact O-N 2.86Å
696D59.9Low59.4Low79 Ų7994 Ų9442%0.42254%0.536SS..  trans-54.996.4170.4-103.2-61.2000108.6H694 E698 L699 R788H694-D696 PolarHBondContact O-N 3.46Å; D696-E698 PolarHBondContact O-N 2.84Å; D696-L699 HydrophobicContact CB-CD1 3.66Å; D696-L699 HydrophobicContact CB-CG 3.86Å; D696-L699 PolarHBondContact O-N 3.39Å; D696-L699 VanDerWaalsContact O-N 3.15Å; D696-R788 VanDerWaalsContact CG-NH2 3.3Å; D696-R788 IonicContact OD1-CZ 3.58Å; D696-R788 IonicContact OD1-NH1 2.68Å; D696-R788 PolarHBondContact OD1-NH1 3.32Å; D696-R788 VanDerWaalsContact OD1-NH1 3.14Å; D696-R788 IonicContact OD1-NH2 3.62Å; D696-R788 PolarHBondContact OD1-NH2 3.32Å; D696-R788 IonicContact OD2-CZ 3.8Å; D696-R788 IonicContact OD2-NH1 3.39Å; D696-R788 PolarHBondContact OD2-NH1 3.42Å; D696-R788 IonicContact OD2-NH2 3.56Å
697F62.5Low62.3Low147 Ų14788.9 Ų88.965%0.64551%0.506SS*.THydrogen-bonded Turntrans-59.6-10.8-167.4-76.9-84.3000114.7Q633 S695Q633-F697 PolarHBondContact OE1-O 2.82Å; S695-F697 VanDerWaalsContact C-N 3.31Å; S695-F697 WeakPolarHBondContact O-CD2 3.34Å; S695-F697 PolarHBondContact O-N 2.86Å
698E79.3Confident65.3Low12 Ų1284.1 Ų84.16%0.05647%0.473CS..THydrogen-bonded Turntrans-107.1-5.9-175.9-57.2-164.9137.100114.8N636 S650 R665 D696 I700 R787N636-E698 PolarHBondContact ND2-OE1 3.06Å; S650-E698 VanDerWaalsContact CB-OE1 3.3Å; S650-E698 WeakPolarHBondContact CB-OE1 3.47Å; S650-E698 PolarHBondContact OG-OE1 3.26Å; S650-E698 VanDerWaalsContact OG-OE1 3.1Å; R665-E698 IonicContact CZ-OE1 2.75Å; R665-E698 IonicContact CZ-OE2 3.87Å; R665-E698 IonicContact NH1-OE1 3.23Å; R665-E698 IonicContact NH1-OE2 3.26Å; R665-E698 PolarHBondContact NH1-OE2 3.06Å; R665-E698 IonicContact NH2-OE1 2.67Å; R665-E698 PolarHBondContact NH2-OE1 2.73Å; R665-E698 IonicContact NH2-OE2 2.83Å; D696-E698 PolarHBondContact O-N 2.84Å; E698-I700 PolarHBondContact O-N 2.93Å; E698-R787 IonicContact OE2-CZ 3.56Å; E698-R787 IonicContact OE2-NH1 2.9Å; E698-R787 PolarHBondContact OE2-NH1 3.36Å; E698-R787 IonicContact OE2-NH2 2.71Å; E698-R787 PolarHBondContact OE2-NH2 3.49Å
699L85.1Confident68.4Low51 Ų5178.7 Ų78.727%0.26744%0.435SS..PPolyproline II helixtrans-73.2121.3179-70.9176.1000110E668 D696E668-L699 HydrophobicContact CB-CD2 4.28Å; D696-L699 HydrophobicContact CB-CD1 3.66Å; D696-L699 HydrophobicContact CB-CG 3.86Å; D696-L699 PolarHBondContact O-N 3.39Å; D696-L699 VanDerWaalsContact O-N 3.15Å
700I89Confident71.2Confident8 Ų877.5 Ų77.54%0.04141%0.41CS..PPolyproline II helixtrans-81.5132.4-179.7-53.3-59000109.7L632 Q633 S669 E698 Q704 L705L632-I700 HydrophobicContact CD2-CG1 4.35Å; L632-I700 HydrophobicContact CD2-CG2 4.37Å; Q633-I700 HydrophobicContact CB-CD1 4.31Å; Q633-I700 HydrophobicContact CG-CD1 3.92Å; S669-I700 WeakPolarHBondContact OG-CB 3.49Å; E698-I700 PolarHBondContact O-N 2.93Å; I700-Q704 HydrophobicContact CG2-CB 3.8Å; I700-Q704 HydrophobicContact CG2-CG 3.66Å; I700-L705 HydrophobicContact CG2-CB 4.34Å
701A87.8Confident74.1Confident57 Ų5778.7 Ų78.747%0.47140%0.395SS..PPolyproline II helixtrans-67.4145.5176.500000111.1P703 Q704 L705A701-P703 VanDerWaalsContact C-CD 3.46Å; A701-Q704 WeakPolarHBondContact O-CB 3.44Å; A701-Q704 PolarHBondContact O-N 3.44Å; A701-L705 PolarHBondContact O-N 3.22Å
702Q88.9Confident77.1Confident79 Ų7970 Ų7037%0.36935%0.354SS..Hα-helixtrans-53.4-42.1-177.5-173179.93.700114.3Q704 L705 I706Q702-Q704 VanDerWaalsContact C-N 3.31Å; Q702-Q704 PolarHBondContact O-N 3.28Å; Q702-L705 WeakPolarHBondContact O-CB 3.46Å; Q702-L705 PolarHBondContact O-N 3.46Å; Q702-I706 HydrophobicContact CG-CD1 4Å; Q702-I706 HydrophobicContact CG-CG1 4.43Å; Q702-I706 VanDerWaalsContact O-CG1 3.27Å; Q702-I706 WeakPolarHBondContact O-CG1 3.38Å; Q702-I706 PolarHBondContact O-N 3.32Å
703P90.6Very high79.9Confident100 Ų10063.4 Ų63.465%0.64933%0.334SS*.Hα-helixtrans-62.2-38177.3-22.734.4000113.2A701 I706 E707A701-P703 VanDerWaalsContact C-CD 3.46Å; P703-I706 PolarHBondContact O-N 2.94Å; P703-E707 PolarHBondContact O-N 2.96Å; P703-E707 VanDerWaalsContact O-N 3.08Å
704Q92.6Very high82.7Confident54 Ų5456.7 Ų56.725%0.25230%0.298SS..Hα-helixtrans-70.2-38.6177.8-178.4176-2.100111.1L631 I700 A701 Q702 E707 A708L631-Q704 HydrophobicContact CB-CG 4.46Å; L631-Q704 HydrophobicContact CD2-CG 3.96Å; L631-Q704 VanDerWaalsContact O-CD 3.26Å; L631-Q704 VanDerWaalsContact O-CG 3.27Å; L631-Q704 WeakPolarHBondContact O-CG 3.26Å; L631-Q704 PolarHBondContact O-NE2 3.16Å; I700-Q704 HydrophobicContact CG2-CB 3.8Å; I700-Q704 HydrophobicContact CG2-CG 3.66Å; A701-Q704 WeakPolarHBondContact O-CB 3.44Å; A701-Q704 PolarHBondContact O-N 3.44Å; Q702-Q704 VanDerWaalsContact C-N 3.31Å; Q702-Q704 PolarHBondContact O-N 3.28Å; Q704-E707 PolarHBondContact O-N 3.15Å; Q704-A708 PolarHBondContact O-N 3.34Å
705L92.6Very high85.3Confident0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-62-45.9172.8179.363.7000111.6L632 L666 V670 I700 A701 Q702 E707 A708 L709 L722L632-L705 HydrophobicContact CD2-CD1 4.28Å; L666-L705 HydrophobicContact CD2-CD1 3.55Å; V670-L705 HydrophobicContact CG2-CD2 4.33Å; I700-L705 HydrophobicContact CG2-CB 4.34Å; A701-L705 PolarHBondContact O-N 3.22Å; Q702-L705 WeakPolarHBondContact O-CB 3.46Å; Q702-L705 PolarHBondContact O-N 3.46Å; L705-E707 VanDerWaalsContact C-N 3.31Å; L705-E707 PolarHBondContact O-N 2.76Å; L705-A708 WeakPolarHBondContact O-CB 3.24Å; L705-A708 PolarHBondContact O-N 3.27Å; L705-A708 VanDerWaalsContact O-N 3.16Å; L705-L709 HydrophobicContact CG-CD1 4.38Å; L705-L709 WeakPolarHBondContact O-CG 3.48Å; L705-L709 PolarHBondContact O-N 2.85Å; L705-L722 HydrophobicContact CD2-CD1 4.06Å; L705-L722 HydrophobicContact CD2-CD2 3.56Å; L705-L722 HydrophobicContact CD2-CG 4.38Å; L705-L722 HydrophobicContact CG-CD2 3.95Å
706I93.8Very high87.5Confident34 Ų3452.2 Ų52.217%0.17429%0.285CS..Hα-helixtrans-59.4-44.1177.2-67.9166.1000110.5Q702 P703 L709 K710 A719 L722Q702-I706 HydrophobicContact CG-CD1 4Å; Q702-I706 HydrophobicContact CG-CG1 4.43Å; Q702-I706 VanDerWaalsContact O-CG1 3.27Å; Q702-I706 WeakPolarHBondContact O-CG1 3.38Å; Q702-I706 PolarHBondContact O-N 3.32Å; P703-I706 PolarHBondContact O-N 2.94Å; I706-L709 PolarHBondContact O-N 3.27Å; I706-K710 HydrophobicContact CG2-CD 4.45Å; I706-K710 WeakPolarHBondContact O-CG 3.48Å; I706-K710 PolarHBondContact O-N 3.29Å; I706-A719 HydrophobicContact CG2-CB 4.27Å; I706-L722 HydrophobicContact CG1-CD2 3.98Å
707E94.5Very high88.7Confident60 Ų6056 Ų5628%0.2830%0.301SS..Hα-helixtrans-62.7-42.6176.1-177.359.7-161.800111.4L631 P703 Q704 L705 L709 K710 R711L631-E707 HydrophobicContact CD1-CG 3.99Å; L631-E707 HydrophobicContact CD2-CG 4.33Å; P703-E707 PolarHBondContact O-N 2.96Å; P703-E707 VanDerWaalsContact O-N 3.08Å; Q704-E707 PolarHBondContact O-N 3.15Å; L705-E707 VanDerWaalsContact C-N 3.31Å; L705-E707 PolarHBondContact O-N 2.76Å; E707-L709 PolarHBondContact O-N 2.96Å; E707-K710 PolarHBondContact O-N 2.76Å; E707-R711 WeakPolarHBondContact O-CG 3.46Å; E707-R711 PolarHBondContact O-N 2.9Å; E707-R711 IonicContact OE1-CZ 3.27Å; E707-R711 VanDerWaalsContact OE1-CZ 3.27Å; E707-R711 IonicContact OE1-NE 2.83Å; E707-R711 PolarHBondContact OE1-NE 3Å; E707-R711 IonicContact OE1-NH2 2.84Å; E707-R711 PolarHBondContact OE1-NH2 2.69Å
708A94.2Very high89.8Confident0 Ų051 Ų510%028%0.282CS..Hα-helixtrans-60-44.4176.100000112L628 L631 L632 Q704 L705 K710 R711 M712L628-A708 HydrophobicContact CD2-CB 4.17Å; L628-A708 WeakPolarHBondContact CD2-O 3.27Å; L631-A708 HydrophobicContact CB-CB 4.1Å; L631-A708 HydrophobicContact CD1-CB 4.26Å; L632-A708 HydrophobicContact CD1-CB 3.96Å; L632-A708 HydrophobicContact CD2-CB 3.7Å; L632-A708 HydrophobicContact CG-CB 3.8Å; Q704-A708 PolarHBondContact O-N 3.34Å; L705-A708 WeakPolarHBondContact O-CB 3.24Å; L705-A708 PolarHBondContact O-N 3.27Å; L705-A708 VanDerWaalsContact O-N 3.16Å; A708-K710 VanDerWaalsContact C-N 3.34Å; A708-K710 PolarHBondContact O-N 3.4Å; A708-R711 CarbonylContact O-C 3.5Å; A708-R711 WeakPolarHBondContact O-CB 3.36Å; A708-R711 PolarHBondContact O-N 3.28Å; A708-R711 VanDerWaalsContact O-N 3.12Å; A708-M712 WeakPolarHBondContact O-CG 3.46Å; A708-M712 PolarHBondContact O-N 2.89Å
709L94.6Very high90.4Very high0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-62-40177.4-67.7175.9000112.2F193 L666 L705 I706 E707 R711 M712 L714 A719 L722F193-L709 HydrophobicContact CD1-CD2 3.61Å; F193-L709 HydrophobicContact CE1-CD1 3.83Å; F193-L709 HydrophobicContact CE1-CD2 3.45Å; F193-L709 VanDerWaalsContact CE1-CD2 3.45Å; F193-L709 HydrophobicContact CE1-CG 4.31Å; F193-L709 HydrophobicContact CZ-CD2 4.32Å; L666-L709 HydrophobicContact CD2-CD2 3.92Å; L705-L709 HydrophobicContact CG-CD1 4.38Å; L705-L709 WeakPolarHBondContact O-CG 3.48Å; L705-L709 PolarHBondContact O-N 2.85Å; I706-L709 PolarHBondContact O-N 3.27Å; E707-L709 PolarHBondContact O-N 2.96Å; L709-R711 VanDerWaalsContact C-N 3.33Å; L709-R711 PolarHBondContact O-N 2.87Å; L709-M712 HydrophobicContact CD2-SD 4.07Å; L709-M712 WeakPolarHBondContact O-CA 3.22Å; L709-M712 WeakPolarHBondContact O-CB 3.27Å; L709-M712 PolarHBondContact O-N 3.26Å; L709-M712 VanDerWaalsContact O-N 3.12Å; L709-L714 HydrophobicContact CD2-CD2 4.44Å; L709-L714 WeakPolarHBondContact O-CB 3.4Å; L709-L714 WeakPolarHBondContact O-CD1 3.49Å; L709-L714 PolarHBondContact O-N 2.77Å; L709-A719 HydrophobicContact CB-CB 3.8Å; L709-L722 HydrophobicContact CD1-CD2 4.02Å
710K93.8Very high90.6Very high84 Ų8451.1 Ų51.137%0.36529%0.288SS..Hα-helixtrans-62-41173.2-70.5174.2-179.8178.10111.9I706 E707 A708 M712 G713 A719I706-K710 HydrophobicContact CG2-CD 4.45Å; I706-K710 WeakPolarHBondContact O-CG 3.48Å; I706-K710 PolarHBondContact O-N 3.29Å; E707-K710 PolarHBondContact O-N 2.76Å; A708-K710 VanDerWaalsContact C-N 3.34Å; A708-K710 PolarHBondContact O-N 3.4Å; K710-M712 PolarHBondContact O-N 3.47Å; K710-G713 PolarHBondContact O-N 2.6Å; K710-A719 HydrophobicContact CG-CB 3.74Å
711R90.9Very high90.6Very high114 Ų11454.2 Ų54.243%0.4331%0.305SS..Hα-helixtrans-67.5-23.7175.3-62.9-64.4169.4179-2.6112.9R624 L628 L631 E707 A708 L709 G713R624-R711 PolarHBondContact NE-O 2.84Å; L628-R711 HydrophobicContact CD2-CB 4.02Å; L631-R711 HydrophobicContact CD1-CG 4.16Å; E707-R711 WeakPolarHBondContact O-CG 3.46Å; E707-R711 PolarHBondContact O-N 2.9Å; E707-R711 IonicContact OE1-CZ 3.27Å; E707-R711 VanDerWaalsContact OE1-CZ 3.27Å; E707-R711 IonicContact OE1-NE 2.83Å; E707-R711 PolarHBondContact OE1-NE 3Å; E707-R711 IonicContact OE1-NH2 2.84Å; E707-R711 PolarHBondContact OE1-NH2 2.69Å; A708-R711 CarbonylContact O-C 3.5Å; A708-R711 WeakPolarHBondContact O-CB 3.36Å; A708-R711 PolarHBondContact O-N 3.28Å; A708-R711 VanDerWaalsContact O-N 3.12Å; L709-R711 VanDerWaalsContact C-N 3.33Å; L709-R711 PolarHBondContact O-N 2.87Å; R711-G713 PolarHBondContact O-N 3.07Å
712M91.5Very high90.8Very high5 Ų551.8 Ų51.83%0.02528%0.284CS..THydrogen-bonded Turntrans-75-1.8170.6-66.7169.762.100113.4F275 L279 R624 L628 L662 L666 A708 L709 K710 L714F275-M712 HydrophobicContact CE2-CE 4.32Å; L279-M712 HydrophobicContact CB-CE 3.84Å; L279-M712 HydrophobicContact CD1-CE 3.69Å; L279-M712 HydrophobicContact CD2-CB 4.5Å; L279-M712 HydrophobicContact CD2-CE 4.07Å; L279-M712 HydrophobicContact CG-CE 4.09Å; R624-M712 VanDerWaalsContact CZ-C 3.48Å; R624-M712 VanDerWaalsContact CZ-CA 3.48Å; R624-M712 VanDerWaalsContact CZ-O 3.3Å; R624-M712 PolarHBondContact NH1-O 3.33Å; R624-M712 PolarHBondContact NH2-O 2.83Å; L628-M712 HydrophobicContact CD1-CG 3.92Å; L628-M712 HydrophobicContact CD2-CG 3.73Å; L628-M712 HydrophobicContact CD2-SD 4.48Å; L662-M712 HydrophobicContact CD2-CE 3.48Å; L662-M712 VanDerWaalsContact CD2-CE 3.48Å; L662-M712 HydrophobicContact CD2-SD 3.84Å; L662-M712 HydrophobicContact CG-CE 4.38Å; L662-M712 HydrophobicContact CG-SD 4.49Å; L666-M712 HydrophobicContact CD1-CE 4.09Å; L666-M712 HydrophobicContact CD1-SD 4.37Å; A708-M712 WeakPolarHBondContact O-CG 3.46Å; A708-M712 PolarHBondContact O-N 2.89Å; L709-M712 HydrophobicContact CD2-SD 4.07Å; L709-M712 WeakPolarHBondContact O-CA 3.22Å; L709-M712 WeakPolarHBondContact O-CB 3.27Å; L709-M712 PolarHBondContact O-N 3.26Å; L709-M712 VanDerWaalsContact O-N 3.12Å; K710-M712 PolarHBondContact O-N 3.47Å; M712-L714 HydrophobicContact CB-CD1 3.67Å
713G88.6Confident90.9Very high39 Ų3948.1 Ų48.140%0.40227%0.268SS..THydrogen-bonded Turntrans87.311.2-179.900000113.9K710 R711K710-G713 PolarHBondContact O-N 2.6Å; R711-G713 PolarHBondContact O-N 3.07Å
714L88.7Confident90.8Very high17 Ų1745.9 Ų45.99%0.08925%0.25CC..  trans-75.9142.2175.6-76.780.5000110.9F193 L709 M712 V718F193-L714 HydrophobicContact CD1-CD2 3.75Å; F193-L714 HydrophobicContact CE1-CD2 4.47Å; L709-L714 HydrophobicContact CD2-CD2 4.44Å; L709-L714 WeakPolarHBondContact O-CB 3.4Å; L709-L714 WeakPolarHBondContact O-CD1 3.49Å; L709-L714 PolarHBondContact O-N 2.77Å; M712-L714 HydrophobicContact CB-CD1 3.67Å; L714-V718 HydrophobicContact CD2-CG1 3.98Å
715P89Confident90.6Very high84 Ų8444.2 Ų44.255%0.54524%0.244SC..  trans-55.8147.2173-23.532.9000111.7E717 V718 A719P715-E717 PolarHBondContact O-N 3.43Å; P715-V718 HydrophobicContact CB-CG2 4.14Å; P715-V718 HydrophobicContact CG-CG2 4.19Å; P715-V718 PolarHBondContact O-N 3.04Å; P715-V718 VanDerWaalsContact O-N 3.13Å; P715-A719 PolarHBondContact O-N 3.01Å
716S88.9Confident89.9Confident73 Ų7347.8 Ų47.851%0.5126%0.263SS..Hα-helixtrans-58.6-34.6-175.4-74.80000113.6S720S716-S720 WeakPolarHBondContact O-CB 3.44Å; S716-S720 PolarHBondContact O-N 3.32Å; S716-S720 PolarHBondContact O-OG 3.34Å
717E85.6Confident89.1Confident159 Ų15947.1 Ų47.174%0.74326%0.259SS*.Hα-helixtrans-65.1-49.3176.7-63.8179.8179.300111.3P715 A719 S720 N721P715-E717 PolarHBondContact O-N 3.43Å; E717-A719 VanDerWaalsContact C-N 3.34Å; E717-A719 PolarHBondContact O-N 3.19Å; E717-S720 PolarHBondContact O-N 3.04Å; E717-S720 PolarHBondContact O-OG 3.12Å; E717-N721 PolarHBondContact O-N 3.25Å
718V86.4Confident87.6Confident42 Ų4246.8 Ų46.826%0.25526%0.263SS..Hα-helixtrans-64.8-38.5177-174.30000111.1L714 P715 S720 N721 L722 G723L714-V718 HydrophobicContact CD2-CG1 3.98Å; P715-V718 HydrophobicContact CB-CG2 4.14Å; P715-V718 HydrophobicContact CG-CG2 4.19Å; P715-V718 PolarHBondContact O-N 3.04Å; P715-V718 VanDerWaalsContact O-N 3.13Å; V718-S720 VanDerWaalsContact C-N 3.34Å; V718-S720 PolarHBondContact O-N 2.61Å; V718-N721 WeakPolarHBondContact CA-OD1 3.3Å; V718-N721 PolarHBondContact O-OD1 3.27Å; V718-L722 PolarHBondContact O-N 3.36Å; V718-G723 PolarHBondContact O-N 3.41Å
719A90.9Very high85.8Confident0 Ų049.6 Ų49.60%028%0.278CS..Hα-helixtrans-63.7-41.2174.500000111.4I706 L709 K710 P715 E717 N721 L722I706-A719 HydrophobicContact CG2-CB 4.27Å; L709-A719 HydrophobicContact CB-CB 3.8Å; K710-A719 HydrophobicContact CG-CB 3.74Å; P715-A719 PolarHBondContact O-N 3.01Å; E717-A719 VanDerWaalsContact C-N 3.34Å; E717-A719 PolarHBondContact O-N 3.19Å; A719-N721 PolarHBondContact O-N 2.9Å; A719-L722 PolarHBondContact O-N 3.13Å; A719-L722 VanDerWaalsContact O-N 3.15Å
720S89.9Confident83.6Confident65 Ų6553.5 Ų53.546%0.45530%0.303SS..Hα-helixtrans-66.8-35.3-177.273.40000113.7S716 E717 V718 L722S716-S720 WeakPolarHBondContact O-CB 3.44Å; S716-S720 PolarHBondContact O-N 3.32Å; S716-S720 PolarHBondContact O-OG 3.34Å; E717-S720 PolarHBondContact O-N 3.04Å; E717-S720 PolarHBondContact O-OG 3.12Å; V718-S720 VanDerWaalsContact C-N 3.34Å; V718-S720 PolarHBondContact O-N 2.61Å; S720-L722 VanDerWaalsContact C-N 3.29Å
721N88.7Confident81.3Confident73 Ų7354.1 Ų54.139%0.3931%0.314SS..THydrogen-bonded Turntrans-90.79175.676.72.4000113E717 V718 A719 G723 L724E717-N721 PolarHBondContact O-N 3.25Å; V718-N721 WeakPolarHBondContact CA-OD1 3.3Å; V718-N721 PolarHBondContact O-OD1 3.27Å; A719-N721 PolarHBondContact O-N 2.9Å; N721-G723 VanDerWaalsContact C-N 3.27Å; N721-G723 PolarHBondContact O-N 2.86Å; N721-G723 PolarHBondContact OD1-N 2.74Å; N721-L724 HydrophobicContact CB-CB 4.45Å; N721-L724 PolarHBondContact ND2-O 3.23Å; N721-L724 VanDerWaalsContact O-CB 3.27Å; N721-L724 WeakPolarHBondContact O-CB 3.46Å; N721-L724 PolarHBondContact O-N 2.92Å; N721-L724 PolarHBondContact OD1-N 2.8Å
722L92.2Very high79.1Confident5 Ų553.2 Ų53.23%0.02632%0.317CS..THydrogen-bonded Turntrans59.132-178.6-51.1-179.6000113.7H191 F193 V670 A673 L705 I706 L709 V718 A719 S720 L724H191-L722 PolarHBondContact ND1-O 3.35Å; F193-L722 WeakPolarHBondContact CE1-O 3.43Å; F193-L722 WeakPolarHBondContact CZ-O 3.39Å; V670-L722 HydrophobicContact CG2-CB 4.42Å; A673-L722 HydrophobicContact CB-CD1 3.86Å; L705-L722 HydrophobicContact CD2-CD1 4.06Å; L705-L722 HydrophobicContact CD2-CD2 3.56Å; L705-L722 HydrophobicContact CD2-CG 4.38Å; L705-L722 HydrophobicContact CG-CD2 3.95Å; I706-L722 HydrophobicContact CG1-CD2 3.98Å; L709-L722 HydrophobicContact CD1-CD2 4.02Å; V718-L722 PolarHBondContact O-N 3.36Å; A719-L722 PolarHBondContact O-N 3.13Å; A719-L722 VanDerWaalsContact O-N 3.15Å; S720-L722 VanDerWaalsContact C-N 3.29Å; L722-L724 VanDerWaalsContact C-N 3.31Å; L722-L724 PolarHBondContact O-N 2.97Å
723G90.9Very high76.8Confident3 Ų354.8 Ų54.83%0.03133%0.327CS..THydrogen-bonded Turntrans7517.8-179.300000114H191 A192 V718 N721 V725H191-G723 CarbonylContact C-O 3.26Å; H191-G723 VanDerWaalsContact CA-O 3.28Å; H191-G723 WeakPolarHBondContact CA-O 3.46Å; A192-G723 PolarHBondContact N-O 2.78Å; V718-G723 PolarHBondContact O-N 3.41Å; N721-G723 VanDerWaalsContact C-N 3.27Å; N721-G723 PolarHBondContact O-N 2.86Å; N721-G723 PolarHBondContact OD1-N 2.74Å; G723-V725 PolarHBondContact O-N 3.28Å
724L89.8Confident74.5Confident52 Ų5257.4 Ų57.427%0.27235%0.345SS..BIsolated β-bridgetrans-63.4122.8-178.3-175.769.3000111.1R189 N721 L722 P755R189-L724 HydrophobicContact CG-CD1 3.73Å; N721-L724 HydrophobicContact CB-CB 4.45Å; N721-L724 PolarHBondContact ND2-O 3.23Å; N721-L724 VanDerWaalsContact O-CB 3.27Å; N721-L724 WeakPolarHBondContact O-CB 3.46Å; N721-L724 PolarHBondContact O-N 2.92Å; N721-L724 PolarHBondContact OD1-N 2.8Å; L722-L724 VanDerWaalsContact C-N 3.31Å; L722-L724 PolarHBondContact O-N 2.97Å; L724-P755 HydrophobicContact CD1-CG 4.25Å; L724-P755 HydrophobicContact CD2-CG 4.2Å
725V86.6Confident72.3Confident20 Ų2059.2 Ų59.212%0.12136%0.363CS..  trans-88.2120.9-178.2179.30000110.4I190 A192 A201 G723 L727I190-V725 HydrophobicContact CB-CB 4.21Å; I190-V725 HydrophobicContact CB-CG2 4.45Å; I190-V725 HydrophobicContact CG2-CB 4.33Å; I190-V725 HydrophobicContact CG2-CG2 4.08Å; I190-V725 PolarHBondContact O-N 3.31Å; A192-V725 HydrophobicContact CB-CG2 3.69Å; A201-V725 HydrophobicContact CB-CG1 3.87Å; A201-V725 HydrophobicContact CB-CG2 3.9Å; G723-V725 PolarHBondContact O-N 3.28Å; V725-L727 HydrophobicContact CG1-CD2 3.78Å; V725-L727 HydrophobicContact CG1-CG 4.3Å; V725-L727 PolarHBondContact O-N 3.43Å
726N79.7Confident69.7Low75 Ų7558.3 Ų58.340%0.40137%0.368SS..  trans-87.592.5170.7178.57.7000111.8R205 C728 D729R205-N726 PolarHBondContact NH1-O 3.36Å; R205-N726 PolarHBondContact NH2-O 3.14Å; N726-C728 PolarHBondContact O-N 3.38Å; N726-C728 WeakPolarHBondContact OD1-CB 3.3Å; N726-C728 PolarHBondContact OD1-N 2.91Å; N726-D729 PolarHBondContact O-N 3.3Å
727L76.6Confident67.3Low20 Ų2064.3 Ų64.311%0.10538%0.381CS..THydrogen-bonded Turntrans-64.7-12.1-179.4-60.3172.4000115.1M186 I190 I204 R205 V725M186-L727 HydrophobicContact CE-CB 3.19Å; M186-L727 HydrophobicContact CE-CD1 3.23Å; M186-L727 HydrophobicContact CE-CG 3.79Å; M186-L727 HydrophobicContact SD-CB 4.35Å; I190-L727 HydrophobicContact CD1-CD1 3.81Å; I190-L727 HydrophobicContact CD1-CD2 4.41Å; I204-L727 HydrophobicContact CB-CD2 4.44Å; I204-L727 HydrophobicContact CG2-CD1 4.32Å; I204-L727 HydrophobicContact CG2-CD2 4.09Å; R205-L727 HydrophobicContact CG-CB 4.27Å; R205-L727 HydrophobicContact CG-CD2 3.39Å; R205-L727 HydrophobicContact CG-CG 4.45Å; V725-L727 HydrophobicContact CG1-CD2 3.78Å; V725-L727 HydrophobicContact CG1-CG 4.3Å; V725-L727 PolarHBondContact O-N 3.43Å
728C63.5Low65Low52 Ų5260.4 Ų60.435%0.35136%0.363SS..THydrogen-bonded Turntrans-95.75-179.5-69.20000114.4N726 P730 P753N726-C728 PolarHBondContact O-N 3.38Å; N726-C728 WeakPolarHBondContact OD1-CB 3.3Å; N726-C728 PolarHBondContact OD1-N 2.91Å; C728-P730 VanDerWaalsContact O-CD 3.27Å; C728-P730 WeakPolarHBondContact O-CD 3.41Å; C728-P730 VanDerWaalsContact O-N 3.16Å; C728-P753 WeakPolarHBondContact SG-CD 3.35Å; C728-P753 WeakPolarHBondContact SG-CG 3.37Å
729D55.1Low62.5Low60 Ų6067 Ų6732%0.32139%0.39SS..  trans-59.5117.2-174.9-162.5-33.7000112.4R205 N726 T731R205-D729 VanDerWaalsContact NH1-CB 3.33Å; N726-D729 PolarHBondContact O-N 3.3Å; D729-T731 VanDerWaalsContact C-N 3.3Å; D729-T731 VanDerWaalsContact CG-OG1 3.25Å; D729-T731 PolarHBondContact O-N 2.87Å; D729-T731 WeakPolarHBondContact OD1-CB 3.39Å; D729-T731 WeakPolarHBondContact OD1-CG2 3.28Å; D729-T731 PolarHBondContact OD1-N 3.12Å; D729-T731 PolarHBondContact OD1-OG1 3.48Å
730P48.4Very low59.7Low81 Ų8174.3 Ų74.353%0.52643%0.43SS..G310 helixtrans-76.9-8-179.631.8-35000113.7C728 L732 T733C728-P730 VanDerWaalsContact O-CD 3.27Å; C728-P730 WeakPolarHBondContact O-CD 3.41Å; C728-P730 VanDerWaalsContact O-N 3.16Å; P730-L732 PolarHBondContact O-N 3.31Å; P730-T733 WeakPolarHBondContact O-CB 3.32Å; P730-T733 PolarHBondContact O-N 2.89Å; P730-T733 PolarHBondContact O-OG1 3.24Å
731T45.7Very low57.1Low98 Ų9877.3 Ų77.360%0.60144%0.439SS*.G310 helixtrans-63.2-25-178.352.50000113.4D729 T733 A734D729-T731 VanDerWaalsContact C-N 3.3Å; D729-T731 VanDerWaalsContact CG-OG1 3.25Å; D729-T731 PolarHBondContact O-N 2.87Å; D729-T731 WeakPolarHBondContact OD1-CB 3.39Å; D729-T731 WeakPolarHBondContact OD1-CG2 3.28Å; D729-T731 PolarHBondContact OD1-N 3.12Å; D729-T731 PolarHBondContact OD1-OG1 3.48Å; T731-T733 VanDerWaalsContact C-N 3.28Å; T731-T733 PolarHBondContact O-N 3.24Å; T731-A734 VanDerWaalsContact O-CB 3.24Å; T731-A734 WeakPolarHBondContact O-CB 3.29Å; T731-A734 PolarHBondContact O-N 3.3Å; T731-A734 VanDerWaalsContact O-N 3.13Å
732L45.2Very low54.4Low95 Ų9578.7 Ų78.750%0.49744%0.442SS..G310 helixtrans-79-7.7175.1-69.6171.7000114.4P730 A734 A735P730-L732 PolarHBondContact O-N 3.31Å; L732-A734 PolarHBondContact O-N 3.48Å; L732-A735 HydrophobicContact CD2-CB 3.99Å; L732-A735 PolarHBondContact O-N 3.24Å
733T43.6Very low51.4Low37 Ų3788.2 Ų88.223%0.22748%0.483CS..G310 helixtrans-52.1-30.2160.3-46.60000110.4P730 T731 Q738 F742P730-T733 WeakPolarHBondContact O-CB 3.32Å; P730-T733 PolarHBondContact O-N 2.89Å; P730-T733 PolarHBondContact O-OG1 3.24Å; T731-T733 VanDerWaalsContact C-N 3.28Å; T731-T733 PolarHBondContact O-N 3.24Å; T733-Q738 VanDerWaalsContact CG2-CD 3.43Å; T733-F742 HydrophobicContact CG2-CB 3.79Å; T733-F742 HydrophobicContact CG2-CD1 3.41Å; T733-F742 VanDerWaalsContact CG2-CD1 3.41Å; T733-F742 HydrophobicContact CG2-CD2 3.83Å; T733-F742 HydrophobicContact CG2-CE1 3.83Å; T733-F742 HydrophobicContact CG2-CE2 4.22Å; T733-F742 HydrophobicContact CG2-CG 3.39Å; T733-F742 HydrophobicContact CG2-CZ 4.22Å
734A40.3Very low48.7Very low94 Ų9497.2 Ų97.278%0.77752%0.522SS*.G310 helixtrans-77.2-18.3176.800000114.4T731 L732 G736T731-A734 VanDerWaalsContact O-CB 3.24Å; T731-A734 WeakPolarHBondContact O-CB 3.29Å; T731-A734 PolarHBondContact O-N 3.3Å; T731-A734 VanDerWaalsContact O-N 3.13Å; L732-A734 PolarHBondContact O-N 3.48Å; A734-G736 PolarHBondContact O-N 3.16Å; A734-G736 VanDerWaalsContact O-N 3.09Å
735A41.3Very low46Very low56 Ų56101.3 Ų101.346%0.46354%0.538SS..G310 helixtrans-81.220.6-175.700000114.2L732 Y737L732-A735 HydrophobicContact CD2-CB 3.99Å; L732-A735 PolarHBondContact O-N 3.24Å; A735-Y737 PolarHBondContact O-N 3.48Å
736G35.3Very low43.4Very low64 Ų64107.7 Ų107.766%0.6657%0.571SS**THydrogen-bonded Turntrans81.62.716700000116.9A734 Q738A734-G736 PolarHBondContact O-N 3.16Å; A734-G736 VanDerWaalsContact O-N 3.09Å; G736-Q738 PolarHBondContact O-N 3.48Å
737Y36.7Very low41.1Very low200 Ų200111.3 Ų111.378%0.78458%0.579SS**  trans-80.518.2176.1-75.3-73.7000114.7A735A735-Y737 PolarHBondContact O-N 3.48Å
738Q38.4Very low39.2Very low77 Ų77118.5 Ų118.536%0.3661%0.612SS.*  trans-132120-179.3-67.5-175.22.400112.5T733 G736 D740T733-Q738 VanDerWaalsContact CG2-CD 3.43Å; G736-Q738 PolarHBondContact O-N 3.48Å; Q738-D740 PolarHBondContact O-N 3.35Å
739H34Very low37.7Very low179 Ų179123.1 Ų123.183%0.82963%0.633SS**  trans-62.9113.2152.7-88.544.1000108.6I741H739-I741 PolarHBondContact O-N 3.37Å
740D31.8Very low36.6Very low154 Ų154123.4 Ų123.482%0.82464%0.644SS**SBendtrans28.75.2154.3-71.2-17.1000123.6Q738Q738-D740 PolarHBondContact O-N 3.35Å
741I35.5Very low35.8Very low129 Ų129124.9 Ų124.966%0.66265%0.654SS**  trans-93.9-16.3-169.9-62.6173.1000112.6H739H739-I741 PolarHBondContact O-N 3.37Å
742F30.9Very low35.6Very low102 Ų102123.7 Ų123.745%0.44765%0.647SS.*G310 helixtrans-81.3-27.2-172.6-154.8-90.9000114.8T733 K744T733-F742 HydrophobicContact CG2-CB 3.79Å; T733-F742 HydrophobicContact CG2-CD1 3.41Å; T733-F742 VanDerWaalsContact CG2-CD1 3.41Å; T733-F742 HydrophobicContact CG2-CD2 3.83Å; T733-F742 HydrophobicContact CG2-CE1 3.83Å; T733-F742 HydrophobicContact CG2-CE2 4.22Å; T733-F742 HydrophobicContact CG2-CG 3.39Å; T733-F742 HydrophobicContact CG2-CZ 4.22Å; F742-K744 PolarHBondContact O-N 2.73Å; F742-K744 VanDerWaalsContact O-N 3.08Å
743F29.9Very low35.6Very low204 Ų204122.6 Ų122.690%0.89565%0.646SS**G310 helixtrans-69.9-6.3-178.4-80.4-70.8000114.8
744K35.3Very low36Very low192 Ų192128 Ų12884%0.83567%0.669SS**G310 helixtrans-102.6-4.3-173-98.1-177.9178.5175.60117.6F742F742-K744 PolarHBondContact O-N 2.73Å; F742-K744 VanDerWaalsContact O-N 3.08Å
745K31.7Very low37Very low139 Ų139125.8 Ų125.860%0.60465%0.646SS**  trans-141.8101-179.4-71.1-174.9-174.4166.70114.4D217 R747D217-K745 IonicContact OD1-NZ 3.35Å; D217-K745 PolarHBondContact OD1-NZ 3.12Å; D217-K745 IonicContact OD2-NZ 3.34Å; K745-R747 PolarHBondContact O-N 2.94Å; K745-R747 VanDerWaalsContact O-N 3.1Å
746N31.8Very low37.9Very low154 Ų154126.9 Ų126.982%0.82464%0.644SS**  trans-49107.5164.4-83.5-23000111.6
747R31.4Very low39.6Very low151 Ų151127.5 Ų127.557%0.5764%0.636SS**  trans-116.864.3167.9-150.7-167.4-134.9170.79.4109.1S215 K745 N749S215-R747 PolarHBondContact O-NH1 3.26Å; K745-R747 PolarHBondContact O-N 2.94Å; K745-R747 VanDerWaalsContact O-N 3.1Å; R747-N749 PolarHBondContact O-N 3.41Å
748Q37.9Very low41.9Very low170 Ų170118.3 Ų118.379%0.79460%0.6SS**THydrogen-bonded Turntrans-68.5-12.4-178.1-82.1-180-20.300114.5
749N32.1Very low44.1Very low150 Ų150117 Ų11780%0.80260%0.598SS**THydrogen-bonded Turntrans-124.319-163-65.4-7.7000116.8R747 P751R747-N749 PolarHBondContact O-N 3.41Å; N749-P751 WeakPolarHBondContact O-CD 3.5Å
750A32.2Very low46.5Very low66 Ų66112.1 Ų112.155%0.54558%0.583SS.*  trans-87.9114166.600000108.6
751P31.9Very low49Very low112 Ų112108 Ų10873%0.72756%0.564SS**  trans-61137.4178.123.6-30.8000109.3N749N749-P751 WeakPolarHBondContact O-CD 3.5Å
752P40.1Very low51.5Low72 Ų72107 Ų10747%0.46856%0.56SS.*  trans-57.2135.9175.824.3-32.2000108.2H754P752-H754 PolarHBondContact O-N 3.43Å; P752-H754 PolarHBondContact O-ND1 2.87Å
753P46Very low54.3Low73 Ų73102.2 Ų102.247%0.47454%0.539SS..  trans-57107.817823.2-31.3000108C728C728-P753 WeakPolarHBondContact SG-CD 3.35Å; C728-P753 WeakPolarHBondContact SG-CG 3.37Å
754H51.4Low57.3Low151 Ų15193.4 Ų93.470%0.69950%0.503SS*.PPolyproline II helixtrans-68.4131.1170-74.5-3.6000107.2P752 L756P752-H754 PolarHBondContact O-N 3.43Å; P752-H754 PolarHBondContact O-ND1 2.87Å; H754-L756 PolarHBondContact O-N 3.29Å
755P60.6Low60.1Low47 Ų4784.3 Ų84.331%0.30546%0.463SS..PPolyproline II helixtrans-54.5129.4176.8-4.47000108.7R189 L724R189-P755 HydrophobicContact CB-CB 3.97Å; R189-P755 HydrophobicContact CG-CB 3.92Å; R189-P755 HydrophobicContact CG-CG 4.36Å; L724-P755 HydrophobicContact CD1-CG 4.25Å; L724-P755 HydrophobicContact CD2-CG 4.2Å
756L61.1Low63.1Low79 Ų7977.7 Ų77.741%0.41443%0.434SS..PPolyproline II helixtrans-57.9149.5178.3-71.6168000109.8P269 H754P269-L756 HydrophobicContact CB-CB 4.44Å; P269-L756 HydrophobicContact CG-CB 3.69Å; H754-L756 PolarHBondContact O-N 3.29Å
757P71.6Confident66.3Low77 Ų7770.3 Ų70.350%0.540%0.395SS..PPolyproline II helixtrans-61.3146.7-174.524.4-33.7000112
758L83.8Confident69.5Low6 Ų663.1 Ų63.13%0.03137%0.368CS..PPolyproline II helixtrans-74.7154.1174-62-177000110.7L271 L675L271-L758 HydrophobicContact CB-CD2 3.96Å; L271-L758 HydrophobicContact CD2-CD1 4.11Å; L675-L758 HydrophobicContact CD2-CB 4.02Å; L675-L758 HydrophobicContact CG-CB 4.46Å
759V84.8Confident72.4Confident51 Ų5155 Ų5531%0.30933%0.33SS..  trans-111.1150.2176.1-640000111.8P268 W671 L675 T761 Q763P268-V759 HydrophobicContact CB-CB 4.49Å; P268-V759 HydrophobicContact CB-CG1 3.94Å; P268-V759 HydrophobicContact CB-CG2 3.71Å; P268-V759 HydrophobicContact CG-CG2 3.8Å; W671-V759 PolarHBondContact NE1-O 2.85Å; L675-V759 VanDerWaalsContact CD2-C 3.5Å; V759-T761 VanDerWaalsContact C-N 3.34Å; V759-T761 VanDerWaalsContact CG2-O 3.31Å; V759-T761 WeakPolarHBondContact CG2-O 3.33Å; V759-Q763 HydrophobicContact CG2-CB 3.95Å
760S84.2Confident75.5Confident75 Ų7547.9 Ų47.952%0.52429%0.292SS..SBendtrans-76.5-18.9-176.353.90000114
761T85Confident78.5Confident67 Ų6744.8 Ų44.841%0.41127%0.266SS..SBendtrans-140.6148-17754.10000110.3V759 Q763V759-T761 VanDerWaalsContact C-N 3.34Å; V759-T761 VanDerWaalsContact CG2-O 3.31Å; V759-T761 WeakPolarHBondContact CG2-O 3.33Å; T761-Q763 PolarHBondContact O-N 3.49Å
762D87.8Confident81.5Confident110 Ų11039.4 Ų39.459%0.58823%0.231SC*.SBendtrans5522.7-179.2-62.1-53.1000114P764 R789D762-P764 VanDerWaalsContact O-CD 3.26Å; D762-P764 WeakPolarHBondContact O-CD 3.43Å; D762-R789 VanDerWaalsContact CA-O 3.24Å; D762-R789 WeakPolarHBondContact CA-O 3.48Å; D762-R789 PolarHBondContact N-O 3.43Å
763Q90.6Very high84.3Confident0 Ų036 Ų360%021%0.209CC..  trans-58.3122.1175.6176.459.558.100109.4P269 V759 T761 I765 N791P269-Q763 PolarHBondContact O-NE2 3.27Å; V759-Q763 HydrophobicContact CG2-CB 3.95Å; T761-Q763 PolarHBondContact O-N 3.49Å; Q763-I765 HydrophobicContact CB-CD1 4.49Å; Q763-I765 HydrophobicContact CG-CD1 3.6Å; Q763-I765 HydrophobicContact CG-CG1 4.25Å; Q763-I765 PolarHBondContact O-N 2.93Å; Q763-N791 PolarHBondContact O-N 3.25Å
764P91.5Very high86.7Confident20 Ų2032.8 Ų32.813%0.1319%0.188CC..EExtended strand (participates in β ladder)trans-68125170.5-17.131.1000109.4F3 P268 P270 L271 D762 N791F3-P764 HydrophobicContact CZ-CB 4.34Å; P268-P764 HydrophobicContact CG-CG 4.27Å; P270-P764 WeakPolarHBondContact CA-O 3.34Å; P270-P764 HydrophobicContact CB-CB 4.08Å; L271-P764 PolarHBondContact N-O 3.3Å; D762-P764 VanDerWaalsContact O-CD 3.26Å; D762-P764 WeakPolarHBondContact O-CD 3.43Å; P764-N791 WeakPolarHBondContact CA-O 3.4Å
765I94Very high89Confident0 Ų025.9 Ų25.90%016%0.156CC..EExtended strand (participates in β ladder)trans-121.4128.8-179.5-61.6-61.3000108.1L271 L667 Q763 V767 W790 N791 L792 L793L271-I765 HydrophobicContact CB-CD1 3.85Å; L271-I765 HydrophobicContact CD2-CD1 3.79Å; L271-I765 HydrophobicContact CG-CD1 4.14Å; L271-I765 WeakPolarHBondContact O-CA 3.27Å; L667-I765 HydrophobicContact CD1-CG2 3.94Å; L667-I765 HydrophobicContact CD2-CG2 3.91Å; L667-I765 HydrophobicContact CG-CG2 4.41Å; Q763-I765 HydrophobicContact CB-CD1 4.49Å; Q763-I765 HydrophobicContact CG-CD1 3.6Å; Q763-I765 HydrophobicContact CG-CG1 4.25Å; Q763-I765 PolarHBondContact O-N 2.93Å; I765-V767 HydrophobicContact CG2-CG2 3.93Å; I765-W790 HydrophobicContact CD1-CD2 4.29Å; I765-W790 HydrophobicContact CD1-CG 4.41Å; I765-W790 HydrophobicContact CG1-CB 3.7Å; I765-W790 HydrophobicContact CG1-CD2 3.72Å; I765-W790 HydrophobicContact CG1-CE3 3.95Å; I765-W790 HydrophobicContact CG1-CG 3.65Å; I765-N791 PolarHBondContact N-O 2.93Å; I765-L792 HydrophobicContact CB-CD1 4.35Å; I765-L792 HydrophobicContact CG2-CD1 3.93Å; I765-L792 CarbonylContact O-C 3.47Å; I765-L793 PolarHBondContact O-N 3.45Å
766V95.9Very high90.7Very high0 Ų023.6 Ų23.60%014%0.141CC..EExtended strand (participates in β ladder)trans-120.1122.5171.2-175.90000108.7F3 L171 L175 P270 L271 V272 L273 L793F3-V766 HydrophobicContact CE1-CG2 4.11Å; F3-V766 HydrophobicContact CZ-CG2 4.28Å; L171-V766 HydrophobicContact CD1-CG1 4.24Å; L175-V766 HydrophobicContact CD2-CG2 4.04Å; P270-V766 HydrophobicContact CB-CG2 4.25Å; L271-V766 PolarHBondContact O-N 2.86Å; V272-V766 CarbonylContact C-O 3.49Å; V272-V766 VanDerWaalsContact CA-O 3.27Å; V272-V766 WeakPolarHBondContact CA-O 3.37Å; V272-V766 HydrophobicContact CB-CB 4.49Å; V272-V766 HydrophobicContact CG1-CB 4.24Å; V272-V766 HydrophobicContact CG1-CG1 4.4Å; V272-V766 HydrophobicContact CG2-CB 4.18Å; L273-V766 PolarHBondContact N-O 3.05Å; V766-L793 CarbonylContact C-O 3.1Å; V766-L793 VanDerWaalsContact CA-O 3.28Å; V766-L793 WeakPolarHBondContact CA-O 3.48Å; V766-L793 HydrophobicContact CG2-CB 4.31Å; V766-L793 HydrophobicContact CG2-CD2 4.44Å
767V98.2Very high92.5Very high0 Ų019.9 Ų19.90%012%0.121CC..EExtended strand (participates in β ladder)trans-112.1121.2175.9-169.20000108.9L273 V663 L667 I765 F769 L781 L792 L793 I794 A795L273-V767 HydrophobicContact CD2-CG1 4.39Å; L273-V767 CarbonylContact O-C 3.52Å; L273-V767 WeakPolarHBondContact O-CA 3.46Å; V663-V767 HydrophobicContact CG2-CG1 3.69Å; L667-V767 HydrophobicContact CD2-CG2 3.59Å; I765-V767 HydrophobicContact CG2-CG2 3.93Å; V767-F769 HydrophobicContact CB-CE2 4.2Å; V767-F769 HydrophobicContact CG1-CD2 4.16Å; V767-F769 HydrophobicContact CG1-CE2 3.45Å; V767-F769 VanDerWaalsContact CG1-CE2 3.45Å; V767-F769 HydrophobicContact CG1-CZ 3.76Å; V767-L781 HydrophobicContact CB-CD1 4.25Å; V767-L781 HydrophobicContact CG1-CD1 4.16Å; V767-L781 HydrophobicContact CG2-CD1 4.28Å; V767-L781 HydrophobicContact CG2-CD2 4.13Å; V767-L792 HydrophobicContact CG2-CD1 4.05Å; V767-L793 PolarHBondContact N-O 3.04Å; V767-I794 CarbonylContact O-C 3.57Å; V767-I794 WeakPolarHBondContact O-CA 3.45Å; V767-A795 PolarHBondContact O-N 2.84Å
768A98.5Very high93.8Very high0 Ų016.2 Ų16.20%010%0.098CC..EExtended strand (participates in β ladder)trans-111.7131.3-177.600000112M167 L171 L273 V274 F275 P770 A795M167-A768 HydrophobicContact CE-CB 4.16Å; L171-A768 HydrophobicContact CD2-CB 3.8Å; L273-A768 PolarHBondContact O-N 2.81Å; V274-A768 WeakPolarHBondContact CA-O 2.99Å; V274-A768 HydrophobicContact CB-CB 4.4Å; V274-A768 HydrophobicContact CG1-CB 4.13Å; V274-A768 HydrophobicContact CG2-CB 4.17Å; F275-A768 PolarHBondContact N-O 3.46Å; A768-P770 WeakPolarHBondContact O-CD 3.49Å; A768-A795 CarbonylContact C-O 3.53Å; A768-A795 WeakPolarHBondContact CA-O 3.21Å
769F98.4Very high94.5Very high0 Ų016 Ų160%010%0.097CC..EExtended strand (participates in β ladder)trans-118.287.6-177.5-69.3-87.9000112F275 R277 V663 V767 G771 G772 C773 L781 I794 A795 S797F275-F769 HydrophobicContact CD1-CD1 4.19Å; F275-F769 HydrophobicContact CD1-CE1 4.06Å; R277-F769 VanDerWaalsContact NH2-CD1 3.28Å; V663-F769 HydrophobicContact CB-CE1 4.05Å; V663-F769 HydrophobicContact CB-CZ 4.16Å; V663-F769 HydrophobicContact CG1-CE1 3.85Å; V663-F769 HydrophobicContact CG1-CZ 3.7Å; V663-F769 HydrophobicContact CG2-CE1 3.88Å; V663-F769 HydrophobicContact CG2-CZ 3.74Å; V767-F769 HydrophobicContact CB-CE2 4.2Å; V767-F769 HydrophobicContact CG1-CD2 4.16Å; V767-F769 HydrophobicContact CG1-CE2 3.45Å; V767-F769 VanDerWaalsContact CG1-CE2 3.45Å; V767-F769 HydrophobicContact CG1-CZ 3.76Å; F769-G771 PolarHBondContact O-N 3.45Å; F769-G772 PolarHBondContact O-N 3.35Å; F769-C773 HydrophobicContact CB-CB 4.06Å; F769-C773 HydrophobicContact CD1-CB 4.42Å; F769-C773 HydrophobicContact CD2-CB 3.84Å; F769-C773 HydrophobicContact CE2-CB 4.34Å; F769-C773 HydrophobicContact CG-CB 3.87Å; F769-L781 HydrophobicContact CE2-CD1 3.87Å; F769-L781 HydrophobicContact CZ-CD1 3.94Å; F769-I794 HydrophobicContact CD2-CG2 4.03Å; F769-I794 HydrophobicContact CE2-CG2 3.95Å; F769-A795 PolarHBondContact N-O 3.08Å; F769-S797 PolarHBondContact O-N 3.04Å; F769-S797 VanDerWaalsContact O-N 3.1Å
770P97.8Very high95.1Very high0 Ų013.6 Ų13.60%08%0.083CC..THydrogen-bonded Turntrans-65.7114.1164.626.3-34000110L151 Y156 M167 A196 V200 V274 F275 A768L151-P770 HydrophobicContact CD2-CB 4.4Å; Y156-P770 PolarHBondContact OH-O 3.17Å; M167-P770 HydrophobicContact SD-CB 4Å; A196-P770 HydrophobicContact CB-CB 4.1Å; A196-P770 HydrophobicContact CB-CG 4.15Å; V200-P770 HydrophobicContact CG2-CB 4Å; V200-P770 HydrophobicContact CG2-CG 4.21Å; V274-P770 HydrophobicContact CG1-CG 4.01Å; F275-P770 VanDerWaalsContact O-CD 3.28Å; F275-P770 WeakPolarHBondContact O-CD 3.42Å; A768-P770 WeakPolarHBondContact O-CD 3.49Å
771G94.8Very high95.8Very high0 Ų010.1 Ų10.10%06%0.058CC..THydrogen-bonded Turntrans102.411.8-177.600000113.4L151 F769 S797 L800L151-G771 VanDerWaalsContact CD2-N 3.31Å; F769-G771 PolarHBondContact O-N 3.45Å; G771-S797 PolarHBondContact N-OG 3.06Å; G771-S797 VanDerWaalsContact N-OG 3.08Å; G771-L800 WeakPolarHBondContact O-CD2 3.46Å
772G96.3Very high96.4Very high0 Ų07.6 Ų7.60%04%0.041CC..  trans93.3164.8166.400000115.3R277 F769 T796 S797 C798R277-G772 PolarHBondContact NE-O 2.98Å; R277-G772 PolarHBondContact NH2-O 3Å; F769-G772 PolarHBondContact O-N 3.35Å; G772-T796 VanDerWaalsContact CA-OG1 3.29Å; G772-T796 WeakPolarHBondContact CA-OG1 3.4Å; G772-S797 PolarHBondContact N-OG 3.33Å; G772-C798 WeakPolarHBondContact CA-O 3.25Å
773C97.6Very high96.8Very high0 Ų04.5 Ų4.50%02%0.022CC..BIsolated β-bridgetrans-137.8142.9-173.8-174.50000109.6F769 E777 T796 C798 M799 L800F769-C773 HydrophobicContact CB-CB 4.06Å; F769-C773 HydrophobicContact CD1-CB 4.42Å; F769-C773 HydrophobicContact CD2-CB 3.84Å; F769-C773 HydrophobicContact CE2-CB 4.34Å; F769-C773 HydrophobicContact CG-CB 3.87Å; C773-E777 WeakPolarHBondContact CA-OE2 3.42Å; C773-T796 HydrophobicContact CB-CG2 4.29Å; C773-T796 WeakPolarHBondContact CB-OG1 3.28Å; C773-T796 PolarHBondContact N-OG1 3.05Å; C773-T796 VanDerWaalsContact N-OG1 3.15Å; C773-C798 PolarHBondContact N-O 3.28Å; C773-M799 WeakPolarHBondContact O-CA 3.33Å; C773-M799 VanDerWaalsContact O-CE 3.31Å; C773-M799 WeakPolarHBondContact O-CE 3.48Å; C773-L800 PolarHBondContact O-N 3.33Å
774T97.8Very high97.1Very high6 Ų64.6 Ų4.64%0.0372%0.023CC..  trans-89.7156.3172.262.10000111.1P284 G776 E777 V778 L800P284-T774 HydrophobicContact CB-CG2 3.86Å; T774-G776 PolarHBondContact O-N 3.41Å; T774-E777 PolarHBondContact N-OE2 2.92Å; T774-E777 PolarHBondContact O-N 2.85Å; T774-E777 VanDerWaalsContact OG1-CG 3.3Å; T774-E777 WeakPolarHBondContact OG1-CG 3.43Å; T774-E777 PolarHBondContact OG1-N 3.35Å; T774-E777 PolarHBondContact OG1-OE2 2.89Å; T774-V778 WeakPolarHBondContact O-CG2 3.25Å; T774-V778 PolarHBondContact O-N 2.88Å; T774-V778 VanDerWaalsContact O-N 3.12Å; T774-L800 HydrophobicContact CG2-CD1 3.69Å
775Y98.1Very high97.3Very high5 Ų54 Ų42%0.022%0.019CC..Hα-helixtrans-67.3-20.8169-79.6-74.6000112.8L143 E292 H296 I301 V778 A779 M799L143-Y775 HydrophobicContact CD2-CD1 4.5Å; L143-Y775 HydrophobicContact CD2-CE1 3.77Å; E292-Y775 VanDerWaalsContact CD-CE1 3.45Å; E292-Y775 HydrophobicContact CG-CD1 3.55Å; E292-Y775 HydrophobicContact CG-CE1 3.97Å; E292-Y775 HydrophobicContact CG-CG 3.86Å; E292-Y775 WeakPolarHBondContact OE1-CD1 3.34Å; E292-Y775 WeakPolarHBondContact OE1-CE1 3.43Å; H296-Y775 HydrophobicContact CB-CD2 3.68Å; H296-Y775 HydrophobicContact CB-CE2 4.23Å; H296-Y775 AromaticContact CG-CD2 3.57Å; H296-Y775 AromaticContact CG-CE2 3.9Å; H296-Y775 AromaticContact ND1-CD2 3.53Å; I301-Y775 HydrophobicContact CB-CE2 4.01Å; I301-Y775 HydrophobicContact CD1-CD2 4.09Å; I301-Y775 HydrophobicContact CD1-CE2 3.66Å; I301-Y775 HydrophobicContact CG1-CE2 4.37Å; I301-Y775 HydrophobicContact CG2-CE2 4.15Å; I301-Y775 WeakPolarHBondContact CG2-OH 3.35Å; Y775-V778 HydrophobicContact CD1-CB 4.47Å; Y775-V778 HydrophobicContact CD1-CG2 4.5Å; Y775-V778 PolarHBondContact O-N 2.84Å; Y775-A779 WeakPolarHBondContact O-CB 3.24Å; Y775-A779 PolarHBondContact O-N 3.06Å; Y775-M799 HydrophobicContact CD1-CE 3.82Å; Y775-M799 HydrophobicContact CD2-CE 3.54Å; Y775-M799 HydrophobicContact CE1-CE 3.87Å; Y775-M799 HydrophobicContact CE2-CB 4.43Å; Y775-M799 HydrophobicContact CE2-CE 3.59Å; Y775-M799 HydrophobicContact CE2-CG 4.18Å; Y775-M799 HydrophobicContact CG-CE 3.67Å
776G97.6Very high97.3Very high0 Ų012.7 Ų12.70%06%0.057CC..Hα-helixtrans-64-45.5169.900000112.1T774 A779 A780T774-G776 PolarHBondContact O-N 3.41Å; G776-A779 PolarHBondContact O-N 2.82Å; G776-A780 WeakPolarHBondContact O-CB 3.4Å; G776-A780 PolarHBondContact O-N 3.22Å
777E98.4Very high97.2Very high0 Ų016 Ų160%07%0.07CC..Hα-helixtrans-62.1-42.5172.6-73.5164.4129.200111.8R277 T283 P661 C773 T774 A779 A780 L781R277-E777 IonicContact CZ-OE1 3.91Å; R277-E777 VanDerWaalsContact CZ-OE1 3.27Å; R277-E777 IonicContact CZ-OE2 2.92Å; R277-E777 IonicContact NH1-OE1 3.13Å; R277-E777 PolarHBondContact NH1-OE1 3.32Å; R277-E777 IonicContact NH1-OE2 3.79Å; R277-E777 VanDerWaalsContact NH2-CD 3.34Å; R277-E777 IonicContact NH2-OE1 2.89Å; R277-E777 PolarHBondContact NH2-OE1 2.67Å; R277-E777 IonicContact NH2-OE2 3.97Å; R277-E777 PolarHBondContact NH2-OE2 2.79Å; R277-E777 VanDerWaalsContact NH2-OE2 3.13Å; T283-E777 HydrophobicContact CG2-CG 3.49Å; T283-E777 VanDerWaalsContact CG2-CG 3.49Å; P661-E777 HydrophobicContact CB-CG 4.05Å; P661-E777 HydrophobicContact CG-CG 4.16Å; C773-E777 WeakPolarHBondContact CA-OE2 3.42Å; T774-E777 PolarHBondContact N-OE2 2.92Å; T774-E777 PolarHBondContact O-N 2.85Å; T774-E777 VanDerWaalsContact OG1-CG 3.3Å; T774-E777 WeakPolarHBondContact OG1-CG 3.43Å; T774-E777 PolarHBondContact OG1-N 3.35Å; T774-E777 PolarHBondContact OG1-OE2 2.89Å; E777-A779 PolarHBondContact O-N 2.95Å; E777-A780 PolarHBondContact O-N 3.02Å; E777-L781 WeakPolarHBondContact O-CB 2.96Å; E777-L781 WeakPolarHBondContact O-CG 3.49Å; E777-L781 PolarHBondContact O-N 3.25Å
778V98.5Very high97Very high0 Ų017 Ų170%07%0.074CC..Hα-helixtrans-57.2-49.5175.41720000110.9L143 T774 Y775 A780 L781 R782 I794 M799L143-V778 HydrophobicContact CD1-CG2 4.04Å; L143-V778 HydrophobicContact CD2-CG2 4.2Å; T774-V778 WeakPolarHBondContact O-CG2 3.25Å; T774-V778 PolarHBondContact O-N 2.88Å; T774-V778 VanDerWaalsContact O-N 3.12Å; Y775-V778 HydrophobicContact CD1-CB 4.47Å; Y775-V778 HydrophobicContact CD1-CG2 4.5Å; Y775-V778 PolarHBondContact O-N 2.84Å; V778-A780 VanDerWaalsContact C-N 3.34Å; V778-A780 PolarHBondContact O-N 3.16Å; V778-L781 PolarHBondContact O-N 2.76Å; V778-R782 HydrophobicContact CG1-CG 4.43Å; V778-R782 WeakPolarHBondContact O-CB 3.39Å; V778-R782 VanDerWaalsContact O-CG 3.31Å; V778-R782 WeakPolarHBondContact O-CG 3.42Å; V778-R782 PolarHBondContact O-N 3.34Å; V778-I794 HydrophobicContact CB-CD1 4.09Å; V778-I794 HydrophobicContact CG1-CD1 3.93Å; V778-I794 HydrophobicContact CG2-CD1 3.91Å; V778-M799 HydrophobicContact CG2-CE 4.13Å
779A98.3Very high96.7Very high3 Ų325.3 Ų25.33%0.02511%0.105CC..Hα-helixtrans-62.2-4117900000112.2T290 D336 V654 Y775 G776 E777 R782 F783T290-A779 HydrophobicContact CG2-CB 3.98Å; D336-A779 HydrophobicContact CB-CB 4.35Å; D336-A779 WeakPolarHBondContact OD1-CA 3.43Å; V654-A779 HydrophobicContact CG2-CB 4.1Å; Y775-A779 WeakPolarHBondContact O-CB 3.24Å; Y775-A779 PolarHBondContact O-N 3.06Å; G776-A779 PolarHBondContact O-N 2.82Å; E777-A779 PolarHBondContact O-N 2.95Å; A779-R782 PolarHBondContact O-N 3.31Å; A779-F783 WeakPolarHBondContact O-CB 3.39Å; A779-F783 PolarHBondContact O-N 2.91Å
780A98.2Very high96.5Very high0 Ų026.2 Ų26.20%011%0.108CC..Hα-helixtrans-65.9-41.3177.500000112.1P651 V654 P661 V664 G776 E777 V778 F783 V784P651-A780 HydrophobicContact CB-CB 4.26Å; V654-A780 HydrophobicContact CG2-CB 4.02Å; P661-A780 HydrophobicContact CG-CB 3.93Å; V664-A780 HydrophobicContact CG2-CB 3.83Å; G776-A780 WeakPolarHBondContact O-CB 3.4Å; G776-A780 PolarHBondContact O-N 3.22Å; E777-A780 PolarHBondContact O-N 3.02Å; V778-A780 VanDerWaalsContact C-N 3.34Å; V778-A780 PolarHBondContact O-N 3.16Å; A780-F783 WeakPolarHBondContact O-CB 2.98Å; A780-F783 PolarHBondContact O-N 3.47Å; A780-V784 PolarHBondContact O-N 3.06Å; A780-V784 VanDerWaalsContact O-N 3.12Å
781L98.4Very high96.3Very high1 Ų127.6 Ų27.61%0.00512%0.116CC..Hα-helixtrans-65.5-42.6174.9-75.4170.8000111.8V664 L667 V767 F769 E777 V778 F783 V784 A785 L792 I794V664-L781 HydrophobicContact CG2-CD2 3.86Å; V664-L781 HydrophobicContact CG2-CG 4.01Å; L667-L781 HydrophobicContact CD2-CD2 3.64Å; V767-L781 HydrophobicContact CB-CD1 4.25Å; V767-L781 HydrophobicContact CG1-CD1 4.16Å; V767-L781 HydrophobicContact CG2-CD1 4.28Å; V767-L781 HydrophobicContact CG2-CD2 4.13Å; F769-L781 HydrophobicContact CE2-CD1 3.87Å; F769-L781 HydrophobicContact CZ-CD1 3.94Å; E777-L781 WeakPolarHBondContact O-CB 2.96Å; E777-L781 WeakPolarHBondContact O-CG 3.49Å; E777-L781 PolarHBondContact O-N 3.25Å; V778-L781 PolarHBondContact O-N 2.76Å; L781-F783 VanDerWaalsContact C-N 3.33Å; L781-F783 PolarHBondContact O-N 2.98Å; L781-V784 PolarHBondContact O-N 3.3Å; L781-A785 VanDerWaalsContact O-CB 3.3Å; L781-A785 WeakPolarHBondContact O-CB 3.44Å; L781-A785 PolarHBondContact O-N 3.02Å; L781-L792 HydrophobicContact CB-CD2 3.92Å; L781-I794 HydrophobicContact CB-CD1 4.07Å; L781-I794 HydrophobicContact CD1-CD1 3.8Å; L781-I794 HydrophobicContact CD1-CG1 4.01Å
782R97.7Very high96.3Very high15 Ų1528.2 Ų28.26%0.05712%0.119CC..Hα-helixtrans-60.7-41.9174.5-76.7171.4174.3162.60.1111.9D140 D142 E292 R335 D336 V778 A779 A785 K786 L792D140-R782 IonicContact OD2-NH2 3.19Å; D140-R782 PolarHBondContact OD2-NH2 3.41Å; D140-R782 VanDerWaalsContact OD2-NH2 3.13Å; D142-R782 IonicContact OD1-CZ 3.67Å; D142-R782 IonicContact OD1-NE 2.7Å; D142-R782 PolarHBondContact OD1-NE 2.91Å; D142-R782 IonicContact OD1-NH2 3.19Å; D142-R782 PolarHBondContact OD1-NH2 3.45Å; D142-R782 VanDerWaalsContact OD2-CG 3.27Å; D142-R782 WeakPolarHBondContact OD2-CG 3.39Å; D142-R782 IonicContact OD2-CZ 3.38Å; D142-R782 IonicContact OD2-NE 3.7Å; D142-R782 PolarHBondContact OD2-NE 3.45Å; D142-R782 IonicContact OD2-NH2 3.71Å; E292-R782 IonicContact OE2-NH1 2.84Å; E292-R782 PolarHBondContact OE2-NH1 3.2Å; R335-R782 VanDerWaalsContact NH1-NH2 3.16Å; D336-R782 WeakPolarHBondContact OD1-CD 3.34Å; D336-R782 IonicContact OD1-NH1 3.47Å; D336-R782 PolarHBondContact OD1-NH1 3.23Å; D336-R782 WeakPolarHBondContact OD2-CD 3.28Å; D336-R782 IonicContact OD2-NH1 3.71Å; V778-R782 HydrophobicContact CG1-CG 4.43Å; V778-R782 WeakPolarHBondContact O-CB 3.39Å; V778-R782 VanDerWaalsContact O-CG 3.31Å; V778-R782 WeakPolarHBondContact O-CG 3.42Å; V778-R782 PolarHBondContact O-N 3.34Å; A779-R782 PolarHBondContact O-N 3.31Å; R782-A785 PolarHBondContact O-N 3.29Å; R782-K786 WeakPolarHBondContact O-CB 3.36Å; R782-K786 PolarHBondContact O-N 3.23Å; R782-L792 HydrophobicContact CG-CD2 4.24Å
783F97Very high96.3Very high45 Ų4528.3 Ų28.320%0.19712%0.119CC..Hα-helixtrans-56.9-51.9174.8174-91.7000111.1V648 S650 P651 A779 A780 L781 K786 R787V648-F783 HydrophobicContact CB-CD2 4.39Å; V648-F783 HydrophobicContact CB-CE2 3.73Å; V648-F783 HydrophobicContact CB-CZ 4.5Å; V648-F783 HydrophobicContact CG1-CD2 3.89Å; V648-F783 HydrophobicContact CG1-CE2 3.35Å; V648-F783 HydrophobicContact CG1-CZ 3.88Å; S650-F783 VanDerWaalsContact C-CE1 3.41Å; P651-F783 HydrophobicContact CB-CD1 3.95Å; A779-F783 WeakPolarHBondContact O-CB 3.39Å; A779-F783 PolarHBondContact O-N 2.91Å; A780-F783 WeakPolarHBondContact O-CB 2.98Å; A780-F783 PolarHBondContact O-N 3.47Å; L781-F783 VanDerWaalsContact C-N 3.33Å; L781-F783 PolarHBondContact O-N 2.98Å; F783-K786 PolarHBondContact O-N 3.4Å; F783-R787 WeakPolarHBondContact O-CB 3.44Å; F783-R787 PolarHBondContact O-N 3.15Å
784V95.9Very high96.3Very high1 Ų128.3 Ų28.31%0.00612%0.119CC..Hα-helixtrans-66.6-41.6-179.5174.10000111.5P651 V664 E668 A780 L781 K786 R787 R788 W790P651-V784 HydrophobicContact CB-CG2 3.96Å; P651-V784 HydrophobicContact CG-CG2 3.97Å; V664-V784 HydrophobicContact CG1-CB 4.33Å; V664-V784 HydrophobicContact CG1-CG2 3.44Å; V664-V784 VanDerWaalsContact CG1-CG2 3.44Å; E668-V784 VanDerWaalsContact CD-CG1 3.47Å; E668-V784 HydrophobicContact CG-CG1 3.38Å; E668-V784 HydrophobicContact CG-CG2 4.49Å; E668-V784 WeakPolarHBondContact OE1-CG1 3.3Å; A780-V784 PolarHBondContact O-N 3.06Å; A780-V784 VanDerWaalsContact O-N 3.12Å; L781-V784 PolarHBondContact O-N 3.3Å; V784-K786 VanDerWaalsContact C-N 3.29Å; V784-K786 PolarHBondContact O-N 3.24Å; V784-R787 WeakPolarHBondContact O-CB 3.43Å; V784-R787 PolarHBondContact O-N 3.21Å; V784-R787 VanDerWaalsContact O-N 3.11Å; V784-R788 HydrophobicContact CG1-CG 3.84Å; V784-R788 WeakPolarHBondContact O-CB 3.3Å; V784-R788 WeakPolarHBondContact O-CG 3.46Å; V784-R788 PolarHBondContact O-N 3.46Å; V784-W790 HydrophobicContact CB-CZ3 4.32Å; V784-W790 HydrophobicContact CG1-CE3 4.04Å; V784-W790 HydrophobicContact CG1-CH2 3.55Å; V784-W790 HydrophobicContact CG1-CZ2 4.35Å; V784-W790 HydrophobicContact CG1-CZ3 3.36Å
785A96.2Very high96.3Very high7 Ų728 Ų286%0.05812%0.118CC..Hα-helixtrans-59.4-41.8177.300000111.8L781 R782 R789 W790 L792L781-A785 VanDerWaalsContact O-CB 3.3Å; L781-A785 WeakPolarHBondContact O-CB 3.44Å; L781-A785 PolarHBondContact O-N 3.02Å; R782-A785 PolarHBondContact O-N 3.29Å; A785-R789 CarbonylContact O-C 3.42Å; A785-R789 WeakPolarHBondContact O-CA 3.43Å; A785-R789 PolarHBondContact O-N 2.93Å; A785-W790 HydrophobicContact CB-CB 4.03Å; A785-W790 HydrophobicContact CB-CE3 4.3Å; A785-W790 PolarHBondContact O-N 3.07Å; A785-L792 HydrophobicContact CB-CB 3.7Å; A785-L792 HydrophobicContact CB-CD2 3.85Å; A785-L792 HydrophobicContact CB-CG 4.3Å
786K94.7Very high96.3Very high184 Ų18427.8 Ų27.880%0.812%0.117SC*.Hα-helixtrans-64-45.5173.1-173.4177.4-179.4178.10111.8R782 F783 V784 R788 R789R782-K786 WeakPolarHBondContact O-CB 3.36Å; R782-K786 PolarHBondContact O-N 3.23Å; F783-K786 PolarHBondContact O-N 3.4Å; V784-K786 VanDerWaalsContact C-N 3.29Å; V784-K786 PolarHBondContact O-N 3.24Å; K786-R788 VanDerWaalsContact C-N 3.34Å; K786-R788 PolarHBondContact O-N 3.27Å; K786-R789 PolarHBondContact O-N 3.4Å
787R93.4Very high96.3Very high68 Ų6827.8 Ų27.826%0.25712%0.117SC..Hα-helixtrans-60-42.5179.1-179.3169.674.5170.32.4112.3I649 E668 E698 F783 V784I649-R787 PolarHBondContact O-NH1 3.33Å; E668-R787 IonicContact OE1-CZ 3.71Å; E668-R787 IonicContact OE1-NE 3.74Å; E668-R787 IonicContact OE1-NH2 2.91Å; E668-R787 PolarHBondContact OE1-NH2 3.38Å; E668-R787 IonicContact OE2-NH2 2.89Å; E668-R787 PolarHBondContact OE2-NH2 3.45Å; E698-R787 IonicContact OE2-CZ 3.56Å; E698-R787 IonicContact OE2-NH1 2.9Å; E698-R787 PolarHBondContact OE2-NH1 3.36Å; E698-R787 IonicContact OE2-NH2 2.71Å; E698-R787 PolarHBondContact OE2-NH2 3.49Å; F783-R787 WeakPolarHBondContact O-CB 3.44Å; F783-R787 PolarHBondContact O-N 3.15Å; V784-R787 WeakPolarHBondContact O-CB 3.43Å; V784-R787 PolarHBondContact O-N 3.21Å; V784-R787 VanDerWaalsContact O-N 3.11Å
788R92.8Very high96.3Very high23 Ų2328 Ų289%0.08712%0.118CC..Hα-helixtrans-950.5-175.4-57.2-65178.9-161.6-4.9113.9E668 W671 D696 V784 K786 W790E668-R788 IonicContact OE1-CZ 3.46Å; E668-R788 IonicContact OE1-NE 3.14Å; E668-R788 PolarHBondContact OE1-NE 2.91Å; E668-R788 IonicContact OE1-NH2 2.92Å; E668-R788 PolarHBondContact OE1-NH2 3.07Å; W671-R788 HydrophobicContact CH2-CB 4.45Å; W671-R788 HydrophobicContact CZ3-CG 4.44Å; D696-R788 VanDerWaalsContact CG-NH2 3.3Å; D696-R788 IonicContact OD1-CZ 3.58Å; D696-R788 IonicContact OD1-NH1 2.68Å; D696-R788 PolarHBondContact OD1-NH1 3.32Å; D696-R788 VanDerWaalsContact OD1-NH1 3.14Å; D696-R788 IonicContact OD1-NH2 3.62Å; D696-R788 PolarHBondContact OD1-NH2 3.32Å; D696-R788 IonicContact OD2-CZ 3.8Å; D696-R788 IonicContact OD2-NH1 3.39Å; D696-R788 PolarHBondContact OD2-NH1 3.42Å; D696-R788 IonicContact OD2-NH2 3.56Å; V784-R788 HydrophobicContact CG1-CG 3.84Å; V784-R788 WeakPolarHBondContact O-CB 3.3Å; V784-R788 WeakPolarHBondContact O-CG 3.46Å; V784-R788 PolarHBondContact O-N 3.46Å; K786-R788 VanDerWaalsContact C-N 3.34Å; K786-R788 PolarHBondContact O-N 3.27Å; R788-W790 VanDerWaalsContact C-N 3.29Å; R788-W790 HydrophobicContact CB-CD2 3.77Å; R788-W790 VanDerWaalsContact CB-CE2 3.41Å; R788-W790 HydrophobicContact CB-CG 3.92Å; R788-W790 HydrophobicContact CB-CZ2 3.93Å; R788-W790 VanDerWaalsContact CB-NE1 3.31Å; R788-W790 HydrophobicContact CG-CD2 4.39Å; R788-W790 HydrophobicContact CG-CH2 4.35Å; R788-W790 HydrophobicContact CG-CZ2 3.82Å; R788-W790 PolarHBondContact O-N 3.46Å
789R93.7Very high96.2Very high174 Ų17429.3 Ų29.366%0.65713%0.125SC*.THydrogen-bonded Turntrans53.245.4-174.1-51.6-177.2-168.6-176.63.6112.1D762 A785 K786D762-R789 VanDerWaalsContact CA-O 3.24Å; D762-R789 WeakPolarHBondContact CA-O 3.48Å; D762-R789 PolarHBondContact N-O 3.43Å; A785-R789 CarbonylContact O-C 3.42Å; A785-R789 WeakPolarHBondContact O-CA 3.43Å; A785-R789 PolarHBondContact O-N 2.93Å; K786-R789 PolarHBondContact O-N 3.4Å
790W94Very high96Very high18 Ų1829.1 Ų29.17%0.06812%0.123CC..  trans-84.8151.5173.8-62.3-20.7000111.2L667 E668 W671 I765 V784 A785 R788L667-W790 HydrophobicContact CD2-CE3 4.39Å; L667-W790 HydrophobicContact CD2-CH2 4.22Å; L667-W790 HydrophobicContact CD2-CZ3 3.59Å; L667-W790 HydrophobicContact CG-CH2 3.87Å; L667-W790 HydrophobicContact CG-CZ3 3.76Å; E668-W790 HydrophobicContact CB-CH2 4.4Å; E668-W790 HydrophobicContact CG-CH2 3.72Å; E668-W790 HydrophobicContact CG-CZ2 4.41Å; W671-W790 HydrophobicContact CB-CZ2 3.94Å; W671-W790 AromaticContact CD1-NE1 3.91Å; W671-W790 AromaticContact CD2-CE2 3.89Å; W671-W790 AromaticContact CD2-CZ2 3.63Å; W671-W790 HydrophobicContact CD2-CZ2 3.63Å; W671-W790 AromaticContact CD2-NE1 3.55Å; W671-W790 AromaticContact CE2-NE1 3.25Å; W671-W790 AromaticContact CE3-CZ2 3.72Å; W671-W790 HydrophobicContact CE3-CZ2 3.72Å; W671-W790 AromaticContact CG-CZ2 3.75Å; W671-W790 HydrophobicContact CG-CZ2 3.75Å; W671-W790 AromaticContact CG-NE1 3.92Å; W671-W790 AromaticContact CZ2-NE1 3.54Å; W671-W790 HydrophobicContact CZ3-CZ2 4.41Å; W671-W790 AromaticContact NE1-NE1 3.53Å; I765-W790 HydrophobicContact CD1-CD2 4.29Å; I765-W790 HydrophobicContact CD1-CG 4.41Å; I765-W790 HydrophobicContact CG1-CB 3.7Å; I765-W790 HydrophobicContact CG1-CD2 3.72Å; I765-W790 HydrophobicContact CG1-CE3 3.95Å; I765-W790 HydrophobicContact CG1-CG 3.65Å; V784-W790 HydrophobicContact CB-CZ3 4.32Å; V784-W790 HydrophobicContact CG1-CE3 4.04Å; V784-W790 HydrophobicContact CG1-CH2 3.55Å; V784-W790 HydrophobicContact CG1-CZ2 4.35Å; V784-W790 HydrophobicContact CG1-CZ3 3.36Å; A785-W790 HydrophobicContact CB-CB 4.03Å; A785-W790 HydrophobicContact CB-CE3 4.3Å; A785-W790 PolarHBondContact O-N 3.07Å; R788-W790 VanDerWaalsContact C-N 3.29Å; R788-W790 HydrophobicContact CB-CD2 3.77Å; R788-W790 VanDerWaalsContact CB-CE2 3.41Å; R788-W790 HydrophobicContact CB-CG 3.92Å; R788-W790 HydrophobicContact CB-CZ2 3.93Å; R788-W790 VanDerWaalsContact CB-NE1 3.31Å; R788-W790 HydrophobicContact CG-CD2 4.39Å; R788-W790 HydrophobicContact CG-CH2 4.35Å; R788-W790 HydrophobicContact CG-CZ2 3.82Å; R788-W790 PolarHBondContact O-N 3.46Å
791N92.8Very high95.7Very high29 Ų2929.6 Ų29.616%0.15513%0.126CC..EExtended strand (participates in β ladder)trans-95.492.9166.5-173.137.1000109.5M1 Q763 P764 I765M1-N791 PolarHBondContact N-OD1 3.37Å; M1-N791 VanDerWaalsContact O-CG 3.22Å; M1-N791 PolarHBondContact O-ND2 3.42Å; M1-N791 PolarHBondContact O-OD1 3.01Å; Q763-N791 PolarHBondContact O-N 3.25Å; P764-N791 WeakPolarHBondContact CA-O 3.4Å; I765-N791 PolarHBondContact N-O 2.93Å
792L95.5Very high95.1Very high13 Ų1329.6 Ų29.67%0.06813%0.126CC..EExtended strand (participates in β ladder)trans-85140.4-170.4-179.966.7000112.9I765 V767 L781 R782 A785 I794I765-L792 HydrophobicContact CB-CD1 4.35Å; I765-L792 HydrophobicContact CG2-CD1 3.93Å; I765-L792 CarbonylContact O-C 3.47Å; V767-L792 HydrophobicContact CG2-CD1 4.05Å; L781-L792 HydrophobicContact CB-CD2 3.92Å; R782-L792 HydrophobicContact CG-CD2 4.24Å; A785-L792 HydrophobicContact CB-CB 3.7Å; A785-L792 HydrophobicContact CB-CD2 3.85Å; A785-L792 HydrophobicContact CB-CG 4.3Å; L792-I794 HydrophobicContact CD1-CG1 4.16Å; L792-I794 HydrophobicContact CD2-CD1 4.06Å; L792-I794 HydrophobicContact CD2-CG1 4.12Å; L792-I794 HydrophobicContact CG-CG1 4.07Å
793L95.9Very high94.6Very high2 Ų231.7 Ų31.71%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-133.9131.3161.2-173.867.7000109.4F3 D142 L144 L174 I765 V766 V767F3-L793 HydrophobicContact CB-CD1 4.28Å; F3-L793 HydrophobicContact CB-CD2 4.24Å; F3-L793 HydrophobicContact CD1-CB 4.33Å; F3-L793 HydrophobicContact CD1-CD2 3.63Å; F3-L793 HydrophobicContact CD1-CG 4.48Å; F3-L793 HydrophobicContact CD2-CB 3.76Å; F3-L793 HydrophobicContact CD2-CD1 4.12Å; F3-L793 HydrophobicContact CD2-CD2 4.25Å; F3-L793 HydrophobicContact CD2-CG 4.28Å; F3-L793 HydrophobicContact CE1-CB 4.18Å; F3-L793 HydrophobicContact CE1-CD2 4.02Å; F3-L793 HydrophobicContact CE2-CB 3.56Å; F3-L793 HydrophobicContact CG-CB 4.18Å; F3-L793 HydrophobicContact CG-CD1 4.18Å; F3-L793 HydrophobicContact CG-CD2 3.79Å; F3-L793 HydrophobicContact CG-CG 4.29Å; F3-L793 HydrophobicContact CZ-CB 3.79Å; F3-L793 HydrophobicContact CZ-CD2 4.47Å; D142-L793 CarbonylContact O-C 3.59Å; L144-L793 HydrophobicContact CD1-CD1 3.95Å; L144-L793 HydrophobicContact CD1-CD2 4Å; L144-L793 HydrophobicContact CD1-CG 4.29Å; L144-L793 HydrophobicContact CG-CD1 3.9Å; L174-L793 HydrophobicContact CD1-CD2 4.33Å; L174-L793 HydrophobicContact CD2-CD2 3.99Å; L174-L793 HydrophobicContact CG-CD2 4.4Å; I765-L793 PolarHBondContact O-N 3.45Å; V766-L793 CarbonylContact C-O 3.1Å; V766-L793 VanDerWaalsContact CA-O 3.28Å; V766-L793 WeakPolarHBondContact CA-O 3.48Å; V766-L793 HydrophobicContact CG2-CB 4.31Å; V766-L793 HydrophobicContact CG2-CD2 4.44Å; V767-L793 PolarHBondContact N-O 3.04Å
794I98.1Very high94.3Very high0 Ų031.9 Ų31.90%014%0.137CC..EExtended strand (participates in β ladder)trans-108.7132174.8-56.4170.8000108.1D142 L143 L144 V767 F769 V778 L781 L792D142-I794 PolarHBondContact O-N 3.05Å; L143-I794 HydrophobicContact CD1-CB 3.77Å; L143-I794 HydrophobicContact CD1-CG2 3.65Å; L144-I794 PolarHBondContact N-O 2.86Å; V767-I794 CarbonylContact O-C 3.57Å; V767-I794 WeakPolarHBondContact O-CA 3.45Å; F769-I794 HydrophobicContact CD2-CG2 4.03Å; F769-I794 HydrophobicContact CE2-CG2 3.95Å; V778-I794 HydrophobicContact CB-CD1 4.09Å; V778-I794 HydrophobicContact CG1-CD1 3.93Å; V778-I794 HydrophobicContact CG2-CD1 3.91Å; L781-I794 HydrophobicContact CB-CD1 4.07Å; L781-I794 HydrophobicContact CD1-CD1 3.8Å; L781-I794 HydrophobicContact CD1-CG1 4.01Å; L792-I794 HydrophobicContact CD1-CG1 4.16Å; L792-I794 HydrophobicContact CD2-CD1 4.06Å; L792-I794 HydrophobicContact CD2-CG1 4.12Å; L792-I794 HydrophobicContact CG-CG1 4.07Å
795A97.8Very high93.9Very high0 Ų031.8 Ų31.80%014%0.137CC..EExtended strand (participates in β ladder)trans-129.8103.3-176.400000109.8W136 L174 V767 A768 F769W136-A795 HydrophobicContact CE3-CB 4.26Å; W136-A795 HydrophobicContact CH2-CB 3.68Å; W136-A795 HydrophobicContact CZ2-CB 4.31Å; W136-A795 HydrophobicContact CZ3-CB 3.64Å; L174-A795 HydrophobicContact CD2-CB 4.42Å; V767-A795 PolarHBondContact O-N 2.84Å; A768-A795 CarbonylContact C-O 3.53Å; A768-A795 WeakPolarHBondContact CA-O 3.21Å; F769-A795 PolarHBondContact N-O 3.08Å
796T98.4Very high93.6Very high0 Ų031.5 Ų31.50%013%0.134CC..EExtended strand (participates in β ladder)trans-112.9153.1-174.3-172.90000112.5L144 T145 L146 G772 C773 C798 M799L144-T796 PolarHBondContact O-N 3.45Å; T145-T796 CarbonylContact C-O 3.47Å; T145-T796 VanDerWaalsContact CA-O 3.28Å; T145-T796 WeakPolarHBondContact CA-O 3.5Å; L146-T796 PolarHBondContact N-O 2.87Å; G772-T796 VanDerWaalsContact CA-OG1 3.29Å; G772-T796 WeakPolarHBondContact CA-OG1 3.4Å; C773-T796 HydrophobicContact CB-CG2 4.29Å; C773-T796 WeakPolarHBondContact CB-OG1 3.28Å; C773-T796 PolarHBondContact N-OG1 3.05Å; C773-T796 VanDerWaalsContact N-OG1 3.15Å; T796-C798 VanDerWaalsContact C-N 3.32Å; T796-C798 VanDerWaalsContact CG2-O 3.28Å; T796-C798 WeakPolarHBondContact CG2-O 3.45Å; T796-C798 PolarHBondContact OG1-N 3.3Å; T796-C798 PolarHBondContact OG1-O 2.63Å; T796-M799 HydrophobicContact CG2-SD 3.79Å
797S97.6Very high93.2Very high0 Ų026 Ų260%011%0.111CC..SBendtrans-64.4-40.8169.261.90000111.4T145 N147 L148 F769 G771 G772T145-S797 PolarHBondContact OG1-O 2.73Å; N147-S797 PolarHBondContact N-O 3.38Å; N147-S797 VanDerWaalsContact N-O 3.1Å; L148-S797 PolarHBondContact N-O 2.66Å; F769-S797 PolarHBondContact O-N 3.04Å; F769-S797 VanDerWaalsContact O-N 3.1Å; G771-S797 PolarHBondContact N-OG 3.06Å; G771-S797 VanDerWaalsContact N-OG 3.08Å; G772-S797 PolarHBondContact N-OG 3.33Å
798C96.8Very high92.7Very high5 Ų524.1 Ų24.13%0.03411%0.105CC..  trans-155.9162.6175.858.50000110.8P149 G772 C773 T796P149-C798 HydrophobicContact CB-CB 4.46Å; G772-C798 WeakPolarHBondContact CA-O 3.25Å; C773-C798 PolarHBondContact N-O 3.28Å; T796-C798 VanDerWaalsContact C-N 3.32Å; T796-C798 VanDerWaalsContact CG2-O 3.28Å; T796-C798 WeakPolarHBondContact CG2-O 3.45Å; T796-C798 PolarHBondContact OG1-N 3.3Å; T796-C798 PolarHBondContact OG1-O 2.63Å
799M97.2Very high91.9Very high27 Ų2723 Ų2313%0.13310%0.101CC..BIsolated β-bridgetrans-81.9141.8160.9-64-52.3-64.300108.2L139 L143 C773 Y775 V778 T796L139-M799 HydrophobicContact CD1-CG 3.66Å; L139-M799 HydrophobicContact CD1-SD 4.23Å; L143-M799 HydrophobicContact CD1-SD 4.2Å; L143-M799 HydrophobicContact CD2-CE 4.33Å; L143-M799 HydrophobicContact CD2-SD 3.99Å; C773-M799 WeakPolarHBondContact O-CA 3.33Å; C773-M799 VanDerWaalsContact O-CE 3.31Å; C773-M799 WeakPolarHBondContact O-CE 3.48Å; Y775-M799 HydrophobicContact CD1-CE 3.82Å; Y775-M799 HydrophobicContact CD2-CE 3.54Å; Y775-M799 HydrophobicContact CE1-CE 3.87Å; Y775-M799 HydrophobicContact CE2-CB 4.43Å; Y775-M799 HydrophobicContact CE2-CE 3.59Å; Y775-M799 HydrophobicContact CE2-CG 4.18Å; Y775-M799 HydrophobicContact CG-CE 3.67Å; V778-M799 HydrophobicContact CG2-CE 4.13Å; T796-M799 HydrophobicContact CG2-SD 3.79Å
800L94.1Very high91.2Very high0 Ų015.1 Ų15.10%07%0.074CC..  trans-137.6154.2176.867.383.1000112P284 H296 G771 C773 T774 D804P284-L800 HydrophobicContact CB-CD1 3.72Å; H296-L800 PolarHBondContact CE1-O 3.45Å; G771-L800 WeakPolarHBondContact O-CD2 3.46Å; C773-L800 PolarHBondContact O-N 3.33Å; T774-L800 HydrophobicContact CG2-CD1 3.69Å; L800-D804 HydrophobicContact CB-CB 4.04Å
801T92.1Very high90.5Very high9 Ų920.1 Ų20.16%0.05510%0.096CC..  trans-105.8169.9162.361.20000109.5H296 E297 R803 D804 L805H296-T801 VanDerWaalsContact CE1-CG2 3.45Å; H296-T801 WeakPolarHBondContact CE1-CG2 3.26Å; H296-T801 WeakPolarHBondContact ND1-CG2 3.24Å; E297-T801 HydrophobicContact CG-CG2 4.43Å; E297-T801 WeakPolarHBondContact OE1-CA 3.19Å; E297-T801 WeakPolarHBondContact OE1-CB 3.44Å; T801-R803 PolarHBondContact O-N 2.97Å; T801-R803 PolarHBondContact OG1-N 2.92Å; T801-D804 WeakPolarHBondContact CB-OD2 3.45Å; T801-D804 PolarHBondContact N-OD2 2.85Å; T801-D804 PolarHBondContact O-N 2.81Å; T801-D804 VanDerWaalsContact OG1-CG 3.24Å; T801-D804 PolarHBondContact OG1-N 3.44Å; T801-D804 VanDerWaalsContact OG1-N 3.1Å; T801-D804 PolarHBondContact OG1-OD2 3.31Å; T801-L805 PolarHBondContact O-N 2.98Å; T801-L805 VanDerWaalsContact O-N 3.14Å
802S85.9Confident89.5Confident1 Ų119.3 Ų19.31%0.0079%0.093CC..Hα-helixtrans-51.4-37.1165.155.10000113P284 E297 R519 L806P284-S802 VanDerWaalsContact O-CA 3.24Å; P284-S802 WeakPolarHBondContact O-CA 3.42Å; P284-S802 WeakPolarHBondContact O-CB 3.39Å; P284-S802 PolarHBondContact O-N 2.76Å; E297-S802 PolarHBondContact OE1-N 3.34Å; E297-S802 PolarHBondContact OE2-OG 3Å; E297-S802 VanDerWaalsContact OE2-OG 3.12Å; R519-S802 PolarHBondContact NE-OG 2.94Å; R519-S802 PolarHBondContact NH2-OG 3.5Å; S802-L806 WeakPolarHBondContact O-CG 3.46Å; S802-L806 PolarHBondContact O-N 3.03Å
803R87.9Confident88.3Confident60 Ų6019.1 Ų19.123%0.2269%0.094CC..Hα-helixtrans-67.8-44.2179.9-61.8-172.4162.1141.1-1.2110.7E297 E429 I515 D516 T801 L805 L806 Q807E297-R803 PolarHBondContact O-NH1 3.13Å; E429-R803 IonicContact OE1-CZ 3.52Å; E429-R803 IonicContact OE1-NH1 3.66Å; E429-R803 PolarHBondContact OE1-NH1 3.39Å; E429-R803 IonicContact OE1-NH2 3.65Å; E429-R803 PolarHBondContact OE1-NH2 3.16Å; I515-R803 HydrophobicContact CG2-CB 4.07Å; I515-R803 HydrophobicContact CG2-CG 3.81Å; D516-R803 IonicContact OD1-CZ 2.75Å; D516-R803 IonicContact OD1-NE 2.62Å; D516-R803 IonicContact OD1-NH2 3.47Å; D516-R803 PolarHBondContact OD1-NH2 3.44Å; D516-R803 VanDerWaalsContact OD1-NH2 3.14Å; D516-R803 IonicContact OD2-NH2 3.61Å; D516-R803 PolarHBondContact OD2-NH2 3.35Å; T801-R803 PolarHBondContact O-N 2.97Å; T801-R803 PolarHBondContact OG1-N 2.92Å; R803-L805 VanDerWaalsContact C-N 3.34Å; R803-L805 PolarHBondContact O-N 2.93Å; R803-L806 PolarHBondContact O-N 3.4Å; R803-Q807 VanDerWaalsContact O-CB 3.29Å; R803-Q807 WeakPolarHBondContact O-CB 3.3Å; R803-Q807 VanDerWaalsContact O-CG 3.26Å; R803-Q807 WeakPolarHBondContact O-CG 3.44Å; R803-Q807 PolarHBondContact O-N 3.28Å
804D89.3Confident87Confident48 Ų4823 Ų2326%0.25711%0.113SC..Hα-helixtrans-60.7-44.7178.2-62-52.6000111.5L800 T801 L806 Q807 Q808L800-D804 HydrophobicContact CB-CB 4.04Å; T801-D804 WeakPolarHBondContact CB-OD2 3.45Å; T801-D804 PolarHBondContact N-OD2 2.85Å; T801-D804 PolarHBondContact O-N 2.81Å; T801-D804 VanDerWaalsContact OG1-CG 3.24Å; T801-D804 PolarHBondContact OG1-N 3.44Å; T801-D804 VanDerWaalsContact OG1-N 3.1Å; T801-D804 PolarHBondContact OG1-OD2 3.31Å; D804-L806 VanDerWaalsContact C-N 3.35Å; D804-L806 PolarHBondContact O-N 3.34Å; D804-Q807 PolarHBondContact O-N 3.28Å; D804-Q808 VanDerWaalsContact O-CB 3.26Å; D804-Q808 WeakPolarHBondContact O-CB 3.47Å; D804-Q808 WeakPolarHBondContact O-CG 3.28Å; D804-Q808 PolarHBondContact O-N 3.41Å
805L88.8Confident85.2Confident0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-56.6-48.3178.8-173.476.1000111.5F152 R277 Y281 P284 L285 L563 T801 R803F152-L805 HydrophobicContact CD1-CD1 4.19Å; F152-L805 HydrophobicContact CD2-CD1 4.16Å; F152-L805 HydrophobicContact CE1-CD1 3.65Å; F152-L805 HydrophobicContact CE1-CG 4.4Å; F152-L805 HydrophobicContact CE2-CD1 3.63Å; F152-L805 HydrophobicContact CG-CD1 4.43Å; F152-L805 HydrophobicContact CZ-CD1 3.35Å; F152-L805 HydrophobicContact CZ-CG 4.29Å; R277-L805 HydrophobicContact CG-CD1 4.4Å; Y281-L805 HydrophobicContact CD1-CD2 4.11Å; Y281-L805 HydrophobicContact CE1-CD1 4.38Å; P284-L805 HydrophobicContact CB-CD2 4.4Å; P284-L805 HydrophobicContact CG-CD2 4.11Å; L285-L805 HydrophobicContact CD2-CD2 4.48Å; L563-L805 HydrophobicContact CD1-CD2 4.47Å; T801-L805 PolarHBondContact O-N 2.98Å; T801-L805 VanDerWaalsContact O-N 3.14Å; R803-L805 VanDerWaalsContact C-N 3.34Å; R803-L805 PolarHBondContact O-N 2.93Å
806L88.7Confident83.1Confident0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-72.8-40.8-178.7-64.5171.9000112I515 L518 R519 A522 M554 L558 L563 S802 R803 D804 G810I515-L806 HydrophobicContact CG2-CB 4.44Å; I515-L806 HydrophobicContact CG2-CD1 3.93Å; L518-L806 HydrophobicContact CB-CD1 4.35Å; L518-L806 HydrophobicContact CD2-CB 4.23Å; L518-L806 HydrophobicContact CD2-CD1 4.18Å; L518-L806 HydrophobicContact CD2-CD2 4.04Å; L518-L806 HydrophobicContact CD2-CG 4.38Å; L518-L806 HydrophobicContact CG-CD1 4.17Å; L518-L806 HydrophobicContact CG-CD2 4.18Å; R519-L806 HydrophobicContact CB-CD1 4.07Å; A522-L806 HydrophobicContact CB-CD2 4.39Å; M554-L806 WeakPolarHBondContact CE-O 3.44Å; L558-L806 HydrophobicContact CD2-CD2 3.81Å; L563-L806 HydrophobicContact CD1-CD2 4.46Å; S802-L806 WeakPolarHBondContact O-CG 3.46Å; S802-L806 PolarHBondContact O-N 3.03Å; R803-L806 PolarHBondContact O-N 3.4Å; D804-L806 VanDerWaalsContact C-N 3.35Å; D804-L806 PolarHBondContact O-N 3.34Å; L806-G810 PolarHBondContact O-N 3.37Å
807Q86Confident80.5Confident69 Ų6936.9 Ų36.932%0.32219%0.189SC..Hα-helixtrans-68.9-38.5179.5-75.2-176.13.400112.9I515 R803 D804 A809 G810 K811I515-Q807 HydrophobicContact CD1-CG 3.68Å; R803-Q807 VanDerWaalsContact O-CB 3.29Å; R803-Q807 WeakPolarHBondContact O-CB 3.3Å; R803-Q807 VanDerWaalsContact O-CG 3.26Å; R803-Q807 WeakPolarHBondContact O-CG 3.44Å; R803-Q807 PolarHBondContact O-N 3.28Å; D804-Q807 PolarHBondContact O-N 3.28Å; Q807-A809 VanDerWaalsContact C-N 3.29Å; Q807-A809 PolarHBondContact O-N 3.36Å; Q807-G810 PolarHBondContact O-N 3.09Å; Q807-K811 WeakPolarHBondContact O-CG 3.38Å; Q807-K811 PolarHBondContact O-N 3.33Å
808Q83.3Confident77.7Confident29 Ų2941.4 Ų41.414%0.13622%0.221CC..Hα-helixtrans-61.9-40.7178.2-76.1171.320.500110.9P149 F152 D804 G810 A812P149-Q808 PolarHBondContact O-OE1 3.23Å; F152-Q808 HydrophobicContact CD1-CB 4.35Å; D804-Q808 VanDerWaalsContact O-CB 3.26Å; D804-Q808 WeakPolarHBondContact O-CB 3.47Å; D804-Q808 WeakPolarHBondContact O-CG 3.28Å; D804-Q808 PolarHBondContact O-N 3.41Å; Q808-G810 VanDerWaalsContact C-N 3.33Å; Q808-G810 PolarHBondContact O-N 3.28Å; Q808-A812 WeakPolarHBondContact O-CB 3.43Å; Q808-A812 PolarHBondContact O-N 2.96Å
809A77.4Confident74.7Confident0 Ų049 Ų490%026%0.26CS..Hα-helixtrans-59.1-44.2173.500000111.9A557 L558 L561 Q807 A813A557-A809 HydrophobicContact CB-CB 4.48Å; L558-A809 HydrophobicContact CD2-CB 3.9Å; L558-A809 HydrophobicContact CG-CB 4.48Å; L561-A809 HydrophobicContact CD1-CB 3.65Å; Q807-A809 VanDerWaalsContact C-N 3.29Å; Q807-A809 PolarHBondContact O-N 3.36Å; A809-A813 WeakPolarHBondContact O-CB 3.32Å; A809-A813 PolarHBondContact O-N 3.11Å
810G77.8Confident73.6Confident7 Ų750.1 Ų50.17%0.07227%0.266CS..Hα-helixtrans-68-48.2178.300000114.1L806 Q807 Q808 A812 A813 M814L806-G810 PolarHBondContact O-N 3.37Å; Q807-G810 PolarHBondContact O-N 3.09Å; Q808-G810 VanDerWaalsContact C-N 3.33Å; Q808-G810 PolarHBondContact O-N 3.28Å; G810-A812 PolarHBondContact O-N 2.87Å; G810-A813 PolarHBondContact O-N 3.3Å; G810-M814 WeakPolarHBondContact O-CG 3.34Å; G810-M814 PolarHBondContact O-N 3.15Å; G810-M814 VanDerWaalsContact O-N 3.09Å
811K79.1Confident72.5Confident124 Ų12452.7 Ų52.754%0.53928%0.28SS..Hα-helixtrans-61.1-44.3-179.8-74.1176-177.71690111.7Q807 A813 M814 N815Q807-K811 WeakPolarHBondContact O-CG 3.38Å; Q807-K811 PolarHBondContact O-N 3.33Å; K811-A813 VanDerWaalsContact C-N 3.35Å; K811-A813 PolarHBondContact O-N 3.08Å; K811-M814 PolarHBondContact O-N 2.71Å; K811-N815 PolarHBondContact O-N 2.78Å; K811-N815 VanDerWaalsContact O-N 3.08Å
812A72.5Confident71.5Confident12 Ų1255.2 Ų55.210%0.09929%0.293CS..Hα-helixtrans-58.5-48.1177.400000111.3S153 L157 Y158 Q808 G810 M814 N815 V816S153-A812 VanDerWaalsContact CB-CB 3.43Å; L157-A812 HydrophobicContact CD1-CB 3.83Å; Y158-A812 HydrophobicContact CE2-CB 4.09Å; Y158-A812 VanDerWaalsContact OH-C 3.24Å; Y158-A812 PolarHBondContact OH-O 3.12Å; Y158-A812 VanDerWaalsContact OH-O 3.11Å; Q808-A812 WeakPolarHBondContact O-CB 3.43Å; Q808-A812 PolarHBondContact O-N 2.96Å; G810-A812 PolarHBondContact O-N 2.87Å; A812-M814 VanDerWaalsContact C-N 3.3Å; A812-M814 PolarHBondContact O-N 3.27Å; A812-N815 PolarHBondContact O-N 3.03Å; A812-V816 PolarHBondContact O-N 3.32Å
813A69.5Low70.6Confident9 Ų958.4 Ų58.47%0.07431%0.31CS..Hα-helixtrans-62.8-34.4179.600000113.5P553 A557 A809 G810 K811P553-A813 VanDerWaalsContact C-CB 3.47Å; P553-A813 HydrophobicContact CB-CB 3.62Å; P553-A813 VanDerWaalsContact O-CB 3.26Å; P553-A813 WeakPolarHBondContact O-CB 2.88Å; A557-A813 HydrophobicContact CB-CB 3.9Å; A809-A813 WeakPolarHBondContact O-CB 3.32Å; A809-A813 PolarHBondContact O-N 3.11Å; G810-A813 PolarHBondContact O-N 3.3Å; K811-A813 VanDerWaalsContact C-N 3.35Å; K811-A813 PolarHBondContact O-N 3.08Å
814M68.5Low69.5Low84 Ų8458.3 Ų58.341%0.41432%0.315SS..Hα-helixtrans-74.6-35.9177.9-68.1-148.3-65.400113.2I550 G810 K811 A812 V816 N817I550-M814 HydrophobicContact CD1-SD 3.85Å; I550-M814 HydrophobicContact CG1-SD 3.61Å; G810-M814 WeakPolarHBondContact O-CG 3.34Å; G810-M814 PolarHBondContact O-N 3.15Å; G810-M814 VanDerWaalsContact O-N 3.09Å; K811-M814 PolarHBondContact O-N 2.71Å; A812-M814 VanDerWaalsContact C-N 3.3Å; A812-M814 PolarHBondContact O-N 3.27Å; M814-V816 VanDerWaalsContact C-N 3.28Å; M814-V816 PolarHBondContact O-N 3.48Å; M814-N817 PolarHBondContact O-N 3.41Å
815N61.7Low68.2Low105 Ų10558.9 Ų58.956%0.56132%0.319SS*.Hα-helixtrans-64.5-32-179.8-74.8-14000112.7K811 A812 N817 S818K811-N815 PolarHBondContact O-N 2.78Å; K811-N815 VanDerWaalsContact O-N 3.08Å; A812-N815 PolarHBondContact O-N 3.03Å; N815-N817 VanDerWaalsContact C-N 3.31Å; N815-N817 PolarHBondContact O-N 2.84Å; N815-S818 PolarHBondContact O-N 2.69Å; N815-S818 PolarHBondContact O-OG 3.3Å
816V53.5Low66.7Low67 Ų6763.1 Ų63.141%0.40634%0.342SS..Hα-helixtrans-65.2-34.7178.5178.40000111.9Y158 A812 M814 S818 L819Y158-V816 HydrophobicContact CE1-CG2 4.07Å; Y158-V816 HydrophobicContact CE2-CG2 4.41Å; Y158-V816 VanDerWaalsContact OH-CG2 3.28Å; Y158-V816 WeakPolarHBondContact OH-CG2 3.18Å; A812-V816 PolarHBondContact O-N 3.32Å; M814-V816 VanDerWaalsContact C-N 3.28Å; M814-V816 PolarHBondContact O-N 3.48Å; V816-S818 PolarHBondContact O-N 3.49Å; V816-L819 PolarHBondContact O-N 3.45Å
817N42.6Very low65.1Low119 Ų11968 Ų6864%0.63637%0.368SS*.THydrogen-bonded Turntrans-75.1-9.1179.1-72.5-16.4000113.4P553 M814 N815P553-N817 VanDerWaalsContact CG-ND2 3.31Å; P553-N817 WeakPolarHBondContact CG-ND2 3.11Å; M814-N817 PolarHBondContact O-N 3.41Å; N815-N817 VanDerWaalsContact C-N 3.31Å; N815-N817 PolarHBondContact O-N 2.84Å
818S39.6Very low63.3Low95 Ų9567.9 Ų67.966%0.66437%0.372SS*.THydrogen-bonded Turntrans-93.1-10.6176.373.30000114.1N815 V816N815-S818 PolarHBondContact O-N 2.69Å; N815-S818 PolarHBondContact O-OG 3.3Å; V816-S818 PolarHBondContact O-N 3.49Å
819L34.4Very low61.5Low164 Ų16471.5 Ų71.586%0.85939%0.393SS*.  trans-82.80171.8-69.8165.6000109.6F79 V816F79-L819 HydrophobicContact CD1-CD2 4.06Å; F79-L819 HydrophobicContact CD2-CD2 4.47Å; F79-L819 HydrophobicContact CE1-CD2 4.25Å; F79-L819 HydrophobicContact CG-CD2 4.17Å; V816-L819 PolarHBondContact O-N 3.45Å

Retrieved 819 of 819 residues in 1478.8 ms (Link to these results)

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