A0A087XVZ3_POEFO Loading...

G patch domain containing 3

AlphaFold DB , UniProt , Accession A0A087XVZ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 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
1M33.9Very low58.2Low242 Ų242117.7 Ų117.7100%1.19264%0.636SS**  0105.30-65.6-166-173.400106.3
2A32.4Very low61Low96 Ų96107.9 Ų107.979%0.79358%0.583SS**  trans-132.3104.4168.700000103.6C4A2-C4 PolarHBondContact O-N 3.08Å
3D32.9Very low63.3Low158 Ų158101.7 Ų101.785%0.84556%0.555SS**  trans-63.2130-174.3-69.9-45000109.5E5D3-E5 PolarHBondContact O-N 3.12Å
4C37.8Very low65.4Low124 Ų12494.4 Ų94.484%0.83852%0.515SS*.  trans-65.298.7175.4-62.20000108.5A2 A6A2-C4 PolarHBondContact O-N 3.08Å; C4-A6 VanDerWaalsContact C-N 3.35Å; C4-A6 PolarHBondContact O-N 3.09Å
5E41.3Very low67.2Low172 Ų17288.7 Ų88.780%0.80449%0.485SS*.  trans-57110148.1-81-175.815800105.7D3 E7D3-E5 PolarHBondContact O-N 3.12Å; E5-E7 PolarHBondContact O-N 3.37Å
6A49.7Very low68.6Low94 Ų9485.6 Ų85.678%0.77747%0.468SS*.  trans-66.981.6169.100000106.8C4 R8C4-A6 VanDerWaalsContact C-N 3.35Å; C4-A6 PolarHBondContact O-N 3.09Å; A6-R8 PolarHBondContact O-N 3.16Å; A6-R8 VanDerWaalsContact O-N 3.07Å
7E59.2Low70Confident105 Ų10580.5 Ų80.549%0.49144%0.44SS..  trans-51.5118.5175-69.3178.8156.200107.2E5 L9 H100E5-E7 PolarHBondContact O-N 3.37Å; E7-L9 PolarHBondContact O-N 3.24Å; E7-H100 IonicContact OE1-CE1 3.43Å; E7-H100 IonicContact OE2-CE1 3.6Å; E7-H100 PolarHBondContact OE2-CE1 3.31Å; E7-H100 IonicContact OE2-ND1 3.94Å
8R83.1Confident71.2Confident215 Ų21576.6 Ų76.681%0.81142%0.419SS*.  trans-67.2103.5179.5-72.6-178.2-179.8161.20.6108A6 A101A6-R8 PolarHBondContact O-N 3.16Å; A6-R8 VanDerWaalsContact O-N 3.07Å; R8-A101 HydrophobicContact CB-CB 3.88Å; R8-A101 WeakPolarHBondContact O-CB 3.21Å; R8-A101 PolarHBondContact O-N 2.93Å
9L87.6Confident72.1Confident53 Ų5376.5 Ų76.528%0.27742%0.421SS..EExtended strand (participates in β ladder)trans-85.3139.7176.5-61.4178.3000110.6E7 H40E7-L9 PolarHBondContact O-N 3.24Å; L9-H40 HydrophobicContact CD2-CB 3.69Å
10V90.8Very high73Confident11 Ų1176.4 Ų76.47%0.06743%0.431CS..EExtended strand (participates in β ladder)trans-116.4130.8171.6179.40000108.4L12 V99 A101 A104 R132V10-L12 HydrophobicContact CG1-CD2 3.99Å; V10-L12 HydrophobicContact CG1-CG 4.46Å; V10-V99 PolarHBondContact N-O 3.33Å; V10-V99 PolarHBondContact O-N 3.47Å; V10-A101 HydrophobicContact CG2-CB 3.88Å; V10-A104 HydrophobicContact CB-CB 4.04Å; V10-A104 HydrophobicContact CG1-CB 4.17Å; V10-A104 HydrophobicContact CG2-CB 4.25Å; V10-R132 HydrophobicContact CG1-CG 4.05Å
11Y91.4Very high73.8Confident25 Ų2573 Ų7310%0.09841%0.411CS..EExtended strand (participates in β ladder)trans-96.3129.2178-58.6-83.9000110.6V97 I133 V135 L167 L173Y11-V97 WeakPolarHBondContact CA-O 3.4Å; Y11-I133 PolarHBondContact O-N 3.48Å; Y11-V135 HydrophobicContact CD2-CG2 3.64Å; Y11-V135 HydrophobicContact CE2-CG2 4.16Å; Y11-L167 HydrophobicContact CD1-CD1 4Å; Y11-L167 HydrophobicContact CD2-CD1 3.58Å; Y11-L167 HydrophobicContact CE1-CB 4.49Å; Y11-L167 HydrophobicContact CE1-CD1 4.22Å; Y11-L167 HydrophobicContact CE2-CD1 3.82Å; Y11-L167 HydrophobicContact CG-CD1 3.66Å; Y11-L173 HydrophobicContact CD1-CD1 3.94Å; Y11-L173 HydrophobicContact CE1-CD1 3.67Å
12L91.7Very high76.6Confident0 Ų066.5 Ų66.50%038%0.377CS..EExtended strand (participates in β ladder)trans-123140.2-179.8-57.1179.3000109.6V10 I96 V97 V99 F107 I108 I130 R131 R132V10-L12 HydrophobicContact CG1-CD2 3.99Å; V10-L12 HydrophobicContact CG1-CG 4.46Å; L12-I96 WeakPolarHBondContact O-CA 3.39Å; L12-V97 PolarHBondContact N-O 2.76Å; L12-V97 PolarHBondContact O-N 2.88Å; L12-V99 HydrophobicContact CD1-CG2 3.85Å; L12-V99 HydrophobicContact CG-CG2 4.4Å; L12-F107 HydrophobicContact CD1-CD1 3.45Å; L12-F107 VanDerWaalsContact CD1-CD1 3.45Å; L12-F107 HydrophobicContact CD1-CE1 3.96Å; L12-I108 HydrophobicContact CD1-CG1 4.33Å; L12-I108 HydrophobicContact CD2-CD1 4.15Å; L12-I130 HydrophobicContact CB-CG2 4.16Å; L12-I130 HydrophobicContact CD1-CG2 4.18Å; L12-R131 CarbonylContact C-O 3.57Å; L12-R131 WeakPolarHBondContact CA-O 3.27Å; L12-R132 HydrophobicContact CD2-CB 3.94Å; L12-R132 HydrophobicContact CD2-CG 4.05Å
13A91.6Very high79.3Confident27 Ų2763 Ų6322%0.22335%0.347CS..EExtended strand (participates in β ladder)trans-103122.2171.600000109.4C95 I130 R131 I133A13-C95 CarbonylContact C-O 3.55Å; A13-C95 WeakPolarHBondContact CA-O 3.46Å; A13-I130 CarbonylContact O-C 3.6Å; A13-I130 WeakPolarHBondContact O-CA 3.43Å; A13-R131 PolarHBondContact N-O 3.05Å; A13-R131 PolarHBondContact O-N 3.37Å; A13-I133 HydrophobicContact CB-CD1 4.16Å; A13-I133 HydrophobicContact CB-CG1 4.18Å
14I93.1Very high82.1Confident0 Ų056.8 Ų56.80%032%0.318CS..EExtended strand (participates in β ladder)trans-97124.5172-51.8176.4000107.5I17 F30 F42 C94 C95 V97 F107 W116 V129 I130I14-I17 HydrophobicContact CB-CD1 4.37Å; I14-I17 HydrophobicContact CG2-CD1 3.98Å; I14-I17 HydrophobicContact CG2-CG1 4.01Å; I14-F30 HydrophobicContact CD1-CE2 4.23Å; I14-F30 HydrophobicContact CD1-CZ 4.02Å; I14-F42 HydrophobicContact CD1-CE1 4.05Å; I14-F42 HydrophobicContact CD1-CZ 3.84Å; I14-C94 CarbonylContact O-C 3.32Å; I14-C94 VanDerWaalsContact O-CA 3.25Å; I14-C94 WeakPolarHBondContact O-CA 3.27Å; I14-C94 WeakPolarHBondContact O-CB 3.3Å; I14-C95 PolarHBondContact N-O 3.04Å; I14-C95 PolarHBondContact O-N 2.74Å; I14-V97 HydrophobicContact CD1-CG2 3.74Å; I14-V97 HydrophobicContact CG1-CG2 4.23Å; I14-F107 HydrophobicContact CD1-CE1 4.37Å; I14-F107 HydrophobicContact CD1-CZ 4.01Å; I14-W116 HydrophobicContact CG2-CH2 4.02Å; I14-W116 HydrophobicContact CG2-CZ2 4.2Å; I14-V129 WeakPolarHBondContact CA-O 3.3Å; I14-I130 HydrophobicContact CG1-CG1 4.47Å
15S91.4Very high84.6Confident8 Ų852.3 Ų52.36%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-125.3170-175.146.20000110.9I17 E49 V129S15-I17 VanDerWaalsContact C-N 3.27Å; S15-I17 PolarHBondContact O-N 2.98Å; S15-E49 WeakPolarHBondContact CB-OE1 3.47Å; S15-V129 PolarHBondContact N-O 3.11Å; S15-V129 PolarHBondContact O-N 2.85Å; S15-V129 VanDerWaalsContact OG-CB 3.27Å; S15-V129 WeakPolarHBondContact OG-CB 3.49Å; S15-V129 VanDerWaalsContact OG-CG1 3.3Å; S15-V129 WeakPolarHBondContact OG-CG1 3.36Å; S15-V129 PolarHBondContact OG-O 3.17Å
16N90.6Very high87Confident39 Ų3944.1 Ų44.121%0.20925%0.248CC..EExtended strand (participates in β ladder)trans62.129.2-178-159.928.3000114.3E49 W116 R126 R127 V129N16-E49 WeakPolarHBondContact CA-OE2 3.43Å; N16-E49 PolarHBondContact N-OE2 3.44Å; N16-W116 PolarHBondContact O-NE1 3.35Å; N16-R126 PolarHBondContact OD1-NE 3.07Å; N16-R126 PolarHBondContact OD1-NH2 3.3Å; N16-R127 WeakPolarHBondContact CB-O 3.39Å; N16-R127 PolarHBondContact ND2-N 3.28Å; N16-R127 PolarHBondContact ND2-O 2.99Å; N16-V129 HydrophobicContact CB-CG2 4.32Å
17I92.1Very high89Confident0 Ų040.5 Ų40.50%021%0.214CC..EExtended strand (participates in β ladder)trans-72.2131.8177.3-57.1171.1000108.7I14 S15 F21 L26 Y44 C93 C95 W116I14-I17 HydrophobicContact CB-CD1 4.37Å; I14-I17 HydrophobicContact CG2-CD1 3.98Å; I14-I17 HydrophobicContact CG2-CG1 4.01Å; S15-I17 VanDerWaalsContact C-N 3.27Å; S15-I17 PolarHBondContact O-N 2.98Å; I17-F21 HydrophobicContact CG2-CB 4.05Å; I17-L26 HydrophobicContact CG2-CD2 4.2Å; I17-Y44 HydrophobicContact CD1-CD2 4.38Å; I17-Y44 HydrophobicContact CD1-CE2 3.82Å; I17-Y44 HydrophobicContact CG2-CE2 4.36Å; I17-C93 HydrophobicContact CB-CB 4.12Å; I17-C93 WeakPolarHBondContact CB-O 3.35Å; I17-C93 HydrophobicContact CG2-CB 4.46Å; I17-C93 PolarHBondContact N-O 3.15Å; I17-C93 PolarHBondContact O-N 2.95Å; I17-C95 HydrophobicContact CD1-CB 4.4Å; I17-C95 VanDerWaalsContact CD1-SG 3.57Å; I17-W116 HydrophobicContact CB-CZ2 4.38Å; I17-W116 HydrophobicContact CG1-CH2 4.09Å; I17-W116 HydrophobicContact CG1-CZ2 3.77Å
18P91.1Very high90.4Very high10 Ų1036.7 Ų36.77%0.06520%0.197CC..EExtended strand (participates in β ladder)trans-60.6138175.5-21.332.6000111.8A20 F21 W116 L124P18-A20 PolarHBondContact O-N 2.84Å; P18-A20 VanDerWaalsContact O-N 3.17Å; P18-F21 HydrophobicContact CB-CD1 3.66Å; P18-F21 HydrophobicContact CB-CE1 3.98Å; P18-F21 HydrophobicContact CB-CG 3.99Å; P18-F21 HydrophobicContact CG-CD1 3.88Å; P18-F21 HydrophobicContact CG-CD2 4.06Å; P18-F21 HydrophobicContact CG-CE1 3.85Å; P18-F21 HydrophobicContact CG-CE2 4.05Å; P18-F21 HydrophobicContact CG-CG 3.99Å; P18-F21 HydrophobicContact CG-CZ 3.95Å; P18-F21 WeakPolarHBondContact O-CB 3.5Å; P18-F21 PolarHBondContact O-N 2.81Å; P18-W116 HydrophobicContact CG-CB 4.16Å; P18-W116 HydrophobicContact CG-CG 3.96Å; P18-L124 HydrophobicContact CB-CD1 4.2Å; P18-L124 HydrophobicContact CG-CD1 3.58Å
19V88.8Confident90.8Very high75 Ų7526.5 Ų26.546%0.45516%0.158SC..THydrogen-bonded Turntrans-62.1-28.3-177.7-175.60000112.5F21 H46 R91V19-F21 VanDerWaalsContact C-N 3.26Å; V19-F21 PolarHBondContact O-N 3.27Å; V19-H46 PolarHBondContact O-CE1 3.07Å; V19-R91 HydrophobicContact CG2-CB 4.04Å; V19-R91 WeakPolarHBondContact CG2-O 3.25Å
20A89.4Confident91Very high74 Ų7424 Ų2461%0.61215%0.145SC*.THydrogen-bonded Turntrans-72.2-16.917700000113.5P18 H22P18-A20 PolarHBondContact O-N 2.84Å; P18-A20 VanDerWaalsContact O-N 3.17Å; A20-H22 PolarHBondContact O-CE1 2.89Å; A20-H22 PolarHBondContact O-ND1 3.02Å
21F90.9Very high91Very high6 Ų624.1 Ų24.13%0.02615%0.146CC..  trans-77.7129.2-174.7-80.824.2000111I17 P18 V19 D25 L26 Y44 H46 W116 N118 L124I17-F21 HydrophobicContact CG2-CB 4.05Å; P18-F21 HydrophobicContact CB-CD1 3.66Å; P18-F21 HydrophobicContact CB-CE1 3.98Å; P18-F21 HydrophobicContact CB-CG 3.99Å; P18-F21 HydrophobicContact CG-CD1 3.88Å; P18-F21 HydrophobicContact CG-CD2 4.06Å; P18-F21 HydrophobicContact CG-CE1 3.85Å; P18-F21 HydrophobicContact CG-CE2 4.05Å; P18-F21 HydrophobicContact CG-CG 3.99Å; P18-F21 HydrophobicContact CG-CZ 3.95Å; P18-F21 WeakPolarHBondContact O-CB 3.5Å; P18-F21 PolarHBondContact O-N 2.81Å; V19-F21 VanDerWaalsContact C-N 3.26Å; V19-F21 PolarHBondContact O-N 3.27Å; F21-D25 HydrophobicContact CB-CB 4.27Å; F21-D25 HydrophobicContact CD1-CB 4.46Å; F21-D25 HydrophobicContact CD2-CB 4.13Å; F21-D25 HydrophobicContact CG-CB 4.06Å; F21-L26 HydrophobicContact CD2-CD2 4.19Å; F21-Y44 WeakPolarHBondContact O-CE1 3.48Å; F21-Y44 PolarHBondContact O-OH 3.2Å; F21-H46 PolarHBondContact O-CE1 3.25Å; F21-H46 PolarHBondContact O-NE2 3.06Å; F21-W116 HydrophobicContact CD2-CE3 4.24Å; F21-W116 HydrophobicContact CE2-CB 3.92Å; F21-W116 HydrophobicContact CE2-CD2 4.14Å; F21-W116 AromaticContact CE2-CE3 3.81Å; F21-W116 HydrophobicContact CE2-CE3 3.81Å; F21-W116 HydrophobicContact CE2-CG 4.24Å; F21-W116 HydrophobicContact CZ-CB 3.99Å; F21-N118 VanDerWaalsContact CE1-OD1 3.23Å; F21-N118 WeakPolarHBondContact CE1-OD1 3.38Å; F21-L124 HydrophobicContact CE1-CD1 3.62Å; F21-L124 HydrophobicContact CZ-CD1 3.56Å
22H91.2Very high90.8Very high104 Ų10424.9 Ų24.948%0.48115%0.151SC..  trans-106.6179.1174.7-66.976.9000110.6A20 A24 D25 L26 H46A20-H22 PolarHBondContact O-CE1 2.89Å; A20-H22 PolarHBondContact O-ND1 3.02Å; H22-A24 PolarHBondContact O-N 3.42Å; H22-D25 PolarHBondContact N-OD2 3.1Å; H22-D25 PolarHBondContact O-N 2.89Å; H22-D25 VanDerWaalsContact O-N 3.12Å; H22-L26 PolarHBondContact O-N 3.38Å; H22-H46 AromaticContact CD2-NE2 3.42Å; H22-H46 PolarHBondContact CD2-NE2 3.22Å; H22-H46 AromaticContact CG-NE2 3.88Å; H22-H46 AromaticContact NE2-NE2 3.78Å
23S91Very high90.7Very high22 Ų2225 Ų2515%0.15415%0.151CC..Hα-helixtrans-56.7-33.7177.550.50000113.1R27 N183S23-R27 WeakPolarHBondContact O-CG 3.24Å; S23-R27 PolarHBondContact O-N 3.12Å; S23-N183 WeakPolarHBondContact CB-ND2 3.35Å
24A90.3Very high90.7Very high28 Ų2823.8 Ų23.823%0.23114%0.141CC..Hα-helixtrans-63.9-41.917700000112.4H22 R27 N28H22-A24 PolarHBondContact O-N 3.42Å; A24-R27 PolarHBondContact O-N 2.92Å; A24-N28 PolarHBondContact O-N 3.14Å
25D91.2Very high90.5Very high31 Ų3126.9 Ų26.917%0.16616%0.156CC..Hα-helixtrans-68.8-39.6-179.8-54.3-55.9000111.7F21 H22 R27 N28 Y29 S119F21-D25 HydrophobicContact CB-CB 4.27Å; F21-D25 HydrophobicContact CD1-CB 4.46Å; F21-D25 HydrophobicContact CD2-CB 4.13Å; F21-D25 HydrophobicContact CG-CB 4.06Å; H22-D25 PolarHBondContact N-OD2 3.1Å; H22-D25 PolarHBondContact O-N 2.89Å; H22-D25 VanDerWaalsContact O-N 3.12Å; D25-R27 VanDerWaalsContact C-N 3.32Å; D25-R27 PolarHBondContact O-N 2.91Å; D25-N28 WeakPolarHBondContact O-CB 3.36Å; D25-N28 PolarHBondContact O-N 3.36Å; D25-Y29 WeakPolarHBondContact O-CB 3.46Å; D25-Y29 PolarHBondContact O-N 3.02Å; D25-S119 PolarHBondContact OD1-OG 3.46Å
26L91.8Very high90.3Very high0 Ų029.1 Ų29.10%017%0.171CC..Hα-helixtrans-66.5-35.5175.1-63.6178.3000111.8I17 F21 H22 N28 Y29 F30 F42 Y44 W116 V184I17-L26 HydrophobicContact CG2-CD2 4.2Å; F21-L26 HydrophobicContact CD2-CD2 4.19Å; H22-L26 PolarHBondContact O-N 3.38Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-Y29 PolarHBondContact O-N 2.79Å; L26-F30 HydrophobicContact CB-CD2 4.38Å; L26-F30 HydrophobicContact CD2-CE2 4.17Å; L26-F30 WeakPolarHBondContact O-CB 3.48Å; L26-F30 VanDerWaalsContact O-CD2 3.25Å; L26-F30 WeakPolarHBondContact O-CD2 3.49Å; L26-F30 PolarHBondContact O-N 3.38Å; L26-F42 HydrophobicContact CD1-CZ 4.24Å; L26-Y44 HydrophobicContact CD1-CD1 3.63Å; L26-Y44 HydrophobicContact CD1-CD2 3.48Å; L26-Y44 VanDerWaalsContact CD1-CD2 3.48Å; L26-Y44 HydrophobicContact CD1-CE1 3.99Å; L26-Y44 HydrophobicContact CD1-CE2 3.87Å; L26-Y44 HydrophobicContact CD1-CG 3.34Å; L26-W116 HydrophobicContact CD2-CH2 4.14Å; L26-W116 HydrophobicContact CD2-CZ3 3.89Å; L26-V184 HydrophobicContact CB-CG1 4.05Å; L26-V184 HydrophobicContact CB-CG2 4.01Å; L26-V184 HydrophobicContact CD1-CG2 4.4Å
27R91Very high90Very high18 Ų1829.1 Ų29.17%0.06818%0.18CC..Hα-helixtrans-65.4-39.7172.8-72.4178.486.1-131.5-7.3112.1S23 A24 D25 S31 I34 N183 V184 L208S23-R27 WeakPolarHBondContact O-CG 3.24Å; S23-R27 PolarHBondContact O-N 3.12Å; A24-R27 PolarHBondContact O-N 2.92Å; D25-R27 VanDerWaalsContact C-N 3.32Å; D25-R27 PolarHBondContact O-N 2.91Å; R27-S31 WeakPolarHBondContact O-CA 3.32Å; R27-S31 WeakPolarHBondContact O-CB 3.49Å; R27-S31 PolarHBondContact O-N 2.86Å; R27-I34 HydrophobicContact CB-CD1 4.3Å; R27-I34 HydrophobicContact CG-CD1 4.24Å; R27-N183 WeakPolarHBondContact CD-O 3.21Å; R27-V184 HydrophobicContact CG-CB 4.09Å; R27-V184 HydrophobicContact CG-CG1 3.81Å; R27-V184 HydrophobicContact CG-CG2 4.25Å; R27-L208 PolarHBondContact NH1-O 2.79Å
28N89.6Confident89.7Confident24 Ų2429.1 Ų29.113%0.12818%0.18CC..Hα-helixtrans-61.7-46.8175.3-169.536.1000110.8A24 D25 L26 S31 T243 A244 A245A24-N28 PolarHBondContact O-N 3.14Å; D25-N28 WeakPolarHBondContact O-CB 3.36Å; D25-N28 PolarHBondContact O-N 3.36Å; L26-N28 VanDerWaalsContact C-N 3.34Å; N28-S31 WeakPolarHBondContact O-CB 3.5Å; N28-S31 PolarHBondContact O-OG 3.18Å; N28-T243 HydrophobicContact CB-CG2 4.21Å; N28-T243 WeakPolarHBondContact ND2-CG2 3.5Å; N28-T243 CarbonylContact O-C 3.44Å; N28-T243 WeakPolarHBondContact O-CA 3.41Å; N28-T243 VanDerWaalsContact O-CG2 3.3Å; N28-T243 WeakPolarHBondContact O-CG2 3.24Å; N28-T243 WeakPolarHBondContact OD1-CG2 3.28Å; N28-A244 PolarHBondContact O-N 3.39Å; N28-A244 VanDerWaalsContact OD1-CB 3.24Å; N28-A244 WeakPolarHBondContact OD1-CB 3.44Å; N28-A244 PolarHBondContact OD1-N 2.77Å; N28-A245 PolarHBondContact OD1-N 2.87Å
29Y91.1Very high89.7Confident1 Ų128.7 Ų28.70%0.00418%0.178CC..Hα-helixtrans-68.7-44.1-178.2-175.1-94.2000113.5D25 L26 S31 Y111 N114 H115 W116 V117 C128 V249D25-Y29 WeakPolarHBondContact O-CB 3.46Å; D25-Y29 PolarHBondContact O-N 3.02Å; L26-Y29 PolarHBondContact O-N 2.79Å; Y29-S31 VanDerWaalsContact C-N 3.34Å; Y29-S31 PolarHBondContact O-N 2.87Å; Y29-Y111 HydrophobicContact CD1-CD1 4.08Å; Y29-Y111 HydrophobicContact CD1-CE1 4.36Å; Y29-Y111 AromaticContact CE1-CD1 3.52Å; Y29-Y111 HydrophobicContact CE1-CD1 3.52Å; Y29-Y111 HydrophobicContact CE1-CE1 4.21Å; Y29-Y111 HydrophobicContact CE1-CG 4.34Å; Y29-Y111 WeakPolarHBondContact O-CE1 3.32Å; Y29-N114 WeakPolarHBondContact OH-CB 3.13Å; Y29-H115 WeakPolarHBondContact CE2-O 3.3Å; Y29-W116 HydrophobicContact CD1-CE3 4Å; Y29-W116 AromaticContact CD1-CZ3 3.59Å; Y29-W116 HydrophobicContact CD1-CZ3 3.59Å; Y29-W116 HydrophobicContact CD2-CE3 4.02Å; Y29-W116 HydrophobicContact CD2-CZ3 4.43Å; Y29-W116 AromaticContact CE1-CE3 3.96Å; Y29-W116 HydrophobicContact CE1-CE3 3.96Å; Y29-W116 HydrophobicContact CE1-CH2 4.48Å; Y29-W116 AromaticContact CE1-CZ3 3.66Å; Y29-W116 HydrophobicContact CE1-CZ3 3.66Å; Y29-W116 AromaticContact CE2-CE3 3.97Å; Y29-W116 HydrophobicContact CE2-CE3 3.97Å; Y29-W116 HydrophobicContact CE2-CZ3 4.49Å; Y29-W116 HydrophobicContact CG-CE3 4.02Å; Y29-W116 AromaticContact CG-CZ3 3.99Å; Y29-W116 HydrophobicContact CG-CZ3 3.99Å; Y29-W116 AromaticContact CZ-CE3 3.95Å; Y29-V117 HydrophobicContact CD2-CB 4.47Å; Y29-C128 HydrophobicContact CE1-CB 4.45Å; Y29-V249 HydrophobicContact CD2-CG1 4.37Å; Y29-V249 HydrophobicContact CD2-CG2 4.31Å; Y29-V249 HydrophobicContact CE2-CB 4.45Å; Y29-V249 HydrophobicContact CE2-CG1 3.44Å; Y29-V249 VanDerWaalsContact CE2-CG1 3.44Å; Y29-V249 HydrophobicContact CE2-CG2 4.15Å; Y29-V249 WeakPolarHBondContact OH-CG1 3.05Å
30F91.7Very high89.8Confident0 Ų028.7 Ų28.70%017%0.172CC..THydrogen-bonded Turntrans-93.718-178-64.1-67.2000114I14 L26 Q32 F33 I34 F39 F42 F107 Y111 W116I14-F30 HydrophobicContact CD1-CE2 4.23Å; I14-F30 HydrophobicContact CD1-CZ 4.02Å; L26-F30 HydrophobicContact CB-CD2 4.38Å; L26-F30 HydrophobicContact CD2-CE2 4.17Å; L26-F30 WeakPolarHBondContact O-CB 3.48Å; L26-F30 VanDerWaalsContact O-CD2 3.25Å; L26-F30 WeakPolarHBondContact O-CD2 3.49Å; L26-F30 PolarHBondContact O-N 3.38Å; F30-Q32 PolarHBondContact O-N 3.39Å; F30-F33 PolarHBondContact O-N 3.43Å; F30-F33 VanDerWaalsContact O-N 3.15Å; F30-I34 HydrophobicContact CB-CD1 3.86Å; F30-I34 HydrophobicContact CB-CG1 4.17Å; F30-I34 WeakPolarHBondContact O-CD1 3.42Å; F30-I34 VanDerWaalsContact O-CG1 3.27Å; F30-I34 WeakPolarHBondContact O-CG1 3.28Å; F30-I34 PolarHBondContact O-N 3.22Å; F30-F39 HydrophobicContact CB-CE2 4.42Å; F30-F42 AromaticContact CD2-CE1 3.78Å; F30-F42 HydrophobicContact CD2-CE1 3.78Å; F30-F42 HydrophobicContact CD2-CZ 4.32Å; F30-F42 HydrophobicContact CE2-CE1 4.02Å; F30-F42 HydrophobicContact CE2-CZ 4.22Å; F30-F42 HydrophobicContact CG-CE1 4.49Å; F30-F107 AromaticContact CD1-CE2 3.58Å; F30-F107 HydrophobicContact CD1-CE2 3.58Å; F30-F107 HydrophobicContact CD1-CZ 4.04Å; F30-F107 AromaticContact CE1-CE2 3.63Å; F30-F107 HydrophobicContact CE1-CE2 3.63Å; F30-F107 AromaticContact CE1-CZ 3.64Å; F30-F107 HydrophobicContact CE1-CZ 3.64Å; F30-F107 HydrophobicContact CG-CE2 4.48Å; F30-F107 HydrophobicContact CZ-CZ 4.23Å; F30-Y111 AromaticContact CD1-CD1 3.62Å; F30-Y111 HydrophobicContact CD1-CD1 3.62Å; F30-Y111 AromaticContact CD1-CD2 3.84Å; F30-Y111 HydrophobicContact CD1-CD2 3.84Å; F30-Y111 AromaticContact CD1-CE1 3.72Å; F30-Y111 HydrophobicContact CD1-CE1 3.72Å; F30-Y111 AromaticContact CD1-CE2 3.95Å; F30-Y111 HydrophobicContact CD1-CE2 3.95Å; F30-Y111 AromaticContact CD1-CG 3.67Å; F30-Y111 HydrophobicContact CD1-CG 3.67Å; F30-Y111 AromaticContact CD1-CZ 3.89Å; F30-Y111 AromaticContact CE1-CD1 3.73Å; F30-Y111 HydrophobicContact CE1-CD1 3.73Å; F30-Y111 HydrophobicContact CE1-CD2 4.05Å; F30-Y111 HydrophobicContact CE1-CE1 4.31Å; F30-Y111 AromaticContact CE1-CG 3.57Å; F30-Y111 HydrophobicContact CE1-CG 3.57Å; F30-W116 HydrophobicContact CE2-CH2 4.17Å; F30-W116 HydrophobicContact CE2-CZ3 4.06Å; F30-W116 AromaticContact CZ-CH2 4Å; F30-W116 HydrophobicContact CZ-CH2 4Å; F30-W116 HydrophobicContact CZ-CZ3 4.06Å
31S89.6Confident89.9Confident14 Ų1425.4 Ų25.410%0.09815%0.145CC..Hα-helixtrans-54.4-48.1-168.162.70000113.9R27 N28 Y29 F33 I34 E35 L242 A244R27-S31 WeakPolarHBondContact O-CA 3.32Å; R27-S31 WeakPolarHBondContact O-CB 3.49Å; R27-S31 PolarHBondContact O-N 2.86Å; N28-S31 WeakPolarHBondContact O-CB 3.5Å; N28-S31 PolarHBondContact O-OG 3.18Å; Y29-S31 VanDerWaalsContact C-N 3.34Å; Y29-S31 PolarHBondContact O-N 2.87Å; S31-F33 VanDerWaalsContact C-N 3.29Å; S31-F33 PolarHBondContact O-N 3.18Å; S31-I34 PolarHBondContact O-N 2.95Å; S31-E35 WeakPolarHBondContact O-CG 3Å; S31-E35 PolarHBondContact O-N 3.35Å; S31-L242 PolarHBondContact OG-O 3.21Å; S31-A244 PolarHBondContact OG-N 3.12Å; S31-A244 VanDerWaalsContact OG-N 3.11Å
32Q88.1Confident90Very high42 Ų4225.1 Ų25.120%0.19614%0.144CC..Hα-helixtrans-57.8-41.2-179.4-69-177.7-14.900112.6F30 S36 M110 T240 L242F30-Q32 PolarHBondContact O-N 3.39Å; Q32-S36 PolarHBondContact O-N 3.39Å; Q32-M110 HydrophobicContact CB-CE 4.33Å; Q32-M110 VanDerWaalsContact OE1-CE 3.28Å; Q32-T240 PolarHBondContact NE2-O 2.83Å; Q32-T240 VanDerWaalsContact NE2-O 3.12Å; Q32-L242 WeakPolarHBondContact CG-O 3.34Å
33F90.4Very high90.1Very high1 Ų121.6 Ų21.60%0.00413%0.127CC..Hα-helixtrans-82-28-178.3-168.8-89.5000113.1F30 S31 S36 G38 F39 V99 H103 F107 Y111F30-F33 PolarHBondContact O-N 3.43Å; F30-F33 VanDerWaalsContact O-N 3.15Å; S31-F33 VanDerWaalsContact C-N 3.29Å; S31-F33 PolarHBondContact O-N 3.18Å; F33-S36 PolarHBondContact O-OG 2.67Å; F33-G38 PolarHBondContact O-N 3.38Å; F33-F39 HydrophobicContact CD1-CD1 4.24Å; F33-F39 AromaticContact CD1-CD2 3.68Å; F33-F39 HydrophobicContact CD1-CD2 3.68Å; F33-F39 AromaticContact CD1-CE1 3.9Å; F33-F39 HydrophobicContact CD1-CE1 3.9Å; F33-F39 AromaticContact CD1-CE2 3.36Å; F33-F39 HydrophobicContact CD1-CE2 3.36Å; F33-F39 HydrophobicContact CD1-CG 4.12Å; F33-F39 AromaticContact CD1-CZ 3.47Å; F33-F39 HydrophobicContact CD1-CZ 3.47Å; F33-F39 VanDerWaalsContact CD1-CZ 3.47Å; F33-F39 AromaticContact CE1-CD1 3.82Å; F33-F39 HydrophobicContact CE1-CD1 3.82Å; F33-F39 HydrophobicContact CE1-CD2 4.01Å; F33-F39 AromaticContact CE1-CE1 3.69Å; F33-F39 HydrophobicContact CE1-CE1 3.69Å; F33-F39 AromaticContact CE1-CE2 3.96Å; F33-F39 HydrophobicContact CE1-CE2 3.96Å; F33-F39 AromaticContact CE1-CG 3.96Å; F33-F39 HydrophobicContact CE1-CG 3.96Å; F33-F39 AromaticContact CE1-CZ 3.78Å; F33-F39 HydrophobicContact CE1-CZ 3.78Å; F33-F39 HydrophobicContact CG-CE2 4.42Å; F33-V99 HydrophobicContact CE1-CG1 4.05Å; F33-V99 HydrophobicContact CZ-CG1 3.72Å; F33-H103 HydrophobicContact CE2-CB 3.91Å; F33-H103 HydrophobicContact CZ-CB 3.72Å; F33-F107 HydrophobicContact CB-CD2 4.49Å; F33-F107 AromaticContact CD1-CD2 3.7Å; F33-F107 HydrophobicContact CD1-CD2 3.7Å; F33-F107 HydrophobicContact CD1-CE2 4.28Å; F33-F107 HydrophobicContact CD2-CB 4.23Å; F33-F107 HydrophobicContact CD2-CD2 4.07Å; F33-F107 HydrophobicContact CE1-CB 4.22Å; F33-F107 AromaticContact CE1-CD2 3.82Å; F33-F107 HydrophobicContact CE1-CD2 3.82Å; F33-F107 HydrophobicContact CE1-CG 4.22Å; F33-F107 HydrophobicContact CE2-CB 3.65Å; F33-F107 HydrophobicContact CE2-CD2 4.19Å; F33-F107 HydrophobicContact CE2-CG 4.37Å; F33-F107 AromaticContact CG-CD2 3.82Å; F33-F107 HydrophobicContact CG-CD2 3.82Å; F33-F107 HydrophobicContact CZ-CB 3.64Å; F33-F107 HydrophobicContact CZ-CD2 4.08Å; F33-F107 HydrophobicContact CZ-CG 4.14Å; F33-Y111 HydrophobicContact CB-CE2 3.75Å; F33-Y111 HydrophobicContact CG-CE2 4.4Å
34I90.5Very high90.2Very high2 Ų220.9 Ų20.91%0.0112%0.122CC..Hα-helixtrans-65.6-47.7171.3-67.1162.2000109.8R27 F30 S31 S36 G37 F39 V184 P187R27-I34 HydrophobicContact CB-CD1 4.3Å; R27-I34 HydrophobicContact CG-CD1 4.24Å; F30-I34 HydrophobicContact CB-CD1 3.86Å; F30-I34 HydrophobicContact CB-CG1 4.17Å; F30-I34 WeakPolarHBondContact O-CD1 3.42Å; F30-I34 VanDerWaalsContact O-CG1 3.27Å; F30-I34 WeakPolarHBondContact O-CG1 3.28Å; F30-I34 PolarHBondContact O-N 3.22Å; S31-I34 PolarHBondContact O-N 2.95Å; I34-S36 VanDerWaalsContact C-N 3.26Å; I34-S36 PolarHBondContact O-N 3.49Å; I34-G37 PolarHBondContact O-N 3.3Å; I34-F39 HydrophobicContact CG1-CD2 3.89Å; I34-F39 HydrophobicContact CG1-CE2 3.74Å; I34-V184 HydrophobicContact CD1-CG1 3.83Å; I34-V184 WeakPolarHBondContact CD1-O 3.38Å; I34-P187 HydrophobicContact CG2-CB 4.4Å
35E88.7Confident90.1Very high65 Ų6525.8 Ų25.830%0.30413%0.134SC..Hα-helixtrans-70.4-22.2-178.3-66.6-53.3133.400113.4S31 G37 I188S31-E35 WeakPolarHBondContact O-CG 3Å; S31-E35 PolarHBondContact O-N 3.35Å; E35-G37 PolarHBondContact O-N 3.03Å; E35-I188 VanDerWaalsContact OE1-CB 3.29Å; E35-I188 WeakPolarHBondContact OE1-CB 3.48Å; E35-I188 WeakPolarHBondContact OE1-CD1 3.43Å; E35-I188 WeakPolarHBondContact OE1-CG1 3.49Å; E35-I188 PolarHBondContact OE1-N 2.87Å
36S86.6Confident90Very high55 Ų5528.6 Ų28.639%0.38515%0.146SC..THydrogen-bonded Turntrans-76-5.6169.774.80000113.5Q32 F33 I34 G38Q32-S36 PolarHBondContact O-N 3.39Å; F33-S36 PolarHBondContact O-OG 2.67Å; I34-S36 VanDerWaalsContact C-N 3.26Å; I34-S36 PolarHBondContact O-N 3.49Å; S36-G38 VanDerWaalsContact C-N 3.3Å; S36-G38 PolarHBondContact O-N 2.99Å
37G84.3Confident89.8Confident39 Ų3933.7 Ų33.740%0.40217%0.165SC..THydrogen-bonded Turntrans69.923-179.100000113.9I34 E35 F39I34-G37 PolarHBondContact O-N 3.3Å; E35-G37 PolarHBondContact O-N 3.03Å; G37-F39 VanDerWaalsContact C-N 3.28Å; G37-F39 PolarHBondContact O-N 3.21Å
38G85.8Confident89.5Confident0 Ų036.8 Ų36.80%019%0.188CC..  trans-72.3-18.5-173.600000114.6F33 S36 V99F33-G38 PolarHBondContact O-N 3.38Å; S36-G38 VanDerWaalsContact C-N 3.3Å; S36-G38 PolarHBondContact O-N 2.99Å; G38-V99 VanDerWaalsContact O-CG1 3.27Å; G38-V99 WeakPolarHBondContact O-CG1 3.25Å
39F91.6Very high89.3Confident2 Ų237.6 Ų37.61%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-89.5125.5-179.5-70-61.5000112.3F30 F33 I34 G37 F42 V97 V99 F107 N181F30-F39 HydrophobicContact CB-CE2 4.42Å; F33-F39 HydrophobicContact CD1-CD1 4.24Å; F33-F39 AromaticContact CD1-CD2 3.68Å; F33-F39 HydrophobicContact CD1-CD2 3.68Å; F33-F39 AromaticContact CD1-CE1 3.9Å; F33-F39 HydrophobicContact CD1-CE1 3.9Å; F33-F39 AromaticContact CD1-CE2 3.36Å; F33-F39 HydrophobicContact CD1-CE2 3.36Å; F33-F39 HydrophobicContact CD1-CG 4.12Å; F33-F39 AromaticContact CD1-CZ 3.47Å; F33-F39 HydrophobicContact CD1-CZ 3.47Å; F33-F39 VanDerWaalsContact CD1-CZ 3.47Å; F33-F39 AromaticContact CE1-CD1 3.82Å; F33-F39 HydrophobicContact CE1-CD1 3.82Å; F33-F39 HydrophobicContact CE1-CD2 4.01Å; F33-F39 AromaticContact CE1-CE1 3.69Å; F33-F39 HydrophobicContact CE1-CE1 3.69Å; F33-F39 AromaticContact CE1-CE2 3.96Å; F33-F39 HydrophobicContact CE1-CE2 3.96Å; F33-F39 AromaticContact CE1-CG 3.96Å; F33-F39 HydrophobicContact CE1-CG 3.96Å; F33-F39 AromaticContact CE1-CZ 3.78Å; F33-F39 HydrophobicContact CE1-CZ 3.78Å; F33-F39 HydrophobicContact CG-CE2 4.42Å; I34-F39 HydrophobicContact CG1-CD2 3.89Å; I34-F39 HydrophobicContact CG1-CE2 3.74Å; G37-F39 VanDerWaalsContact C-N 3.28Å; G37-F39 PolarHBondContact O-N 3.21Å; F39-F42 HydrophobicContact CB-CB 4.49Å; F39-F42 HydrophobicContact CD1-CB 4.25Å; F39-F42 HydrophobicContact CD1-CD1 4.29Å; F39-F42 HydrophobicContact CD2-CD1 4.23Å; F39-F42 AromaticContact CE1-CD1 3.93Å; F39-F42 HydrophobicContact CE1-CD1 3.93Å; F39-F42 AromaticContact CE2-CD1 3.79Å; F39-F42 HydrophobicContact CE2-CD1 3.79Å; F39-F42 HydrophobicContact CE2-CE1 4.42Å; F39-F42 HydrophobicContact CG-CB 4.21Å; F39-F42 HydrophobicContact CG-CD1 4.45Å; F39-F42 AromaticContact CZ-CD1 3.64Å; F39-F42 HydrophobicContact CZ-CD1 3.64Å; F39-F42 HydrophobicContact CZ-CE1 4.09Å; F39-V97 HydrophobicContact CD1-CG1 3.45Å; F39-V97 VanDerWaalsContact CD1-CG1 3.45Å; F39-V97 HydrophobicContact CE1-CG1 3.51Å; F39-V99 HydrophobicContact CD1-CG2 3.88Å; F39-V99 HydrophobicContact CE1-CG2 3.99Å; F39-F107 HydrophobicContact CE1-CD2 4.24Å; F39-F107 HydrophobicContact CE1-CE1 4.49Å; F39-F107 AromaticContact CE1-CE2 3.91Å; F39-F107 HydrophobicContact CE1-CE2 3.91Å; F39-F107 HydrophobicContact CE1-CZ 4.03Å; F39-F107 HydrophobicContact CE2-CE2 4.48Å; F39-F107 AromaticContact CZ-CD2 3.96Å; F39-F107 HydrophobicContact CZ-CD2 3.96Å; F39-F107 AromaticContact CZ-CE2 3.42Å; F39-F107 HydrophobicContact CZ-CE2 3.42Å; F39-F107 VanDerWaalsContact CZ-CE2 3.42Å; F39-F107 AromaticContact CZ-CZ 3.84Å; F39-F107 HydrophobicContact CZ-CZ 3.84Å; F39-N181 PolarHBondContact O-ND2 2.81Å
40H90.8Very high88.6Confident74 Ų7443.7 Ų43.734%0.34323%0.227SC..EExtended strand (participates in β ladder)trans-72.6-48.4165.8-179.281.6000110.5L9 S98 N181L9-H40 HydrophobicContact CD2-CB 3.69Å; H40-S98 PolarHBondContact N-O 2.9Å; H40-N181 WeakPolarHBondContact O-CA 3.07Å; H40-N181 PolarHBondContact O-ND2 2.69Å
41C91.2Very high87.6Confident5 Ų549.1 Ų49.13%0.03426%0.256CS..EExtended strand (participates in β ladder)trans-152.5125.5174.3176.50000111.2V97 S98C41-V97 WeakPolarHBondContact O-CG1 3.41Å; C41-S98 WeakPolarHBondContact CB-OG 3.41Å; C41-S98 PolarHBondContact N-O 3.32Å; C41-S98 VanDerWaalsContact N-O 3.12Å; C41-S98 PolarHBondContact N-OG 3.35Å; C41-S98 VanDerWaalsContact N-OG 3.13Å; C41-S98 PolarHBondContact O-N 3.35Å; C41-S98 PolarHBondContact O-OG 3.47Å
42F93.8Very high86Confident0 Ų057.6 Ų57.60%029%0.286CS..  trans-134.995.4169.9-172.3174.9000109.4I14 L26 F30 F39 V97 N181 G182 N183 V184 G185I14-F42 HydrophobicContact CD1-CE1 4.05Å; I14-F42 HydrophobicContact CD1-CZ 3.84Å; L26-F42 HydrophobicContact CD1-CZ 4.24Å; F30-F42 AromaticContact CD2-CE1 3.78Å; F30-F42 HydrophobicContact CD2-CE1 3.78Å; F30-F42 HydrophobicContact CD2-CZ 4.32Å; F30-F42 HydrophobicContact CE2-CE1 4.02Å; F30-F42 HydrophobicContact CE2-CZ 4.22Å; F30-F42 HydrophobicContact CG-CE1 4.49Å; F39-F42 HydrophobicContact CB-CB 4.49Å; F39-F42 HydrophobicContact CD1-CB 4.25Å; F39-F42 HydrophobicContact CD1-CD1 4.29Å; F39-F42 HydrophobicContact CD2-CD1 4.23Å; F39-F42 AromaticContact CE1-CD1 3.93Å; F39-F42 HydrophobicContact CE1-CD1 3.93Å; F39-F42 AromaticContact CE2-CD1 3.79Å; F39-F42 HydrophobicContact CE2-CD1 3.79Å; F39-F42 HydrophobicContact CE2-CE1 4.42Å; F39-F42 HydrophobicContact CG-CB 4.21Å; F39-F42 HydrophobicContact CG-CD1 4.45Å; F39-F42 AromaticContact CZ-CD1 3.64Å; F39-F42 HydrophobicContact CZ-CD1 3.64Å; F39-F42 HydrophobicContact CZ-CE1 4.09Å; F42-V97 HydrophobicContact CB-CG1 3.75Å; F42-V97 HydrophobicContact CB-CG2 4.4Å; F42-V97 HydrophobicContact CD1-CG1 4.15Å; F42-V97 HydrophobicContact CD1-CG2 4.14Å; F42-V97 HydrophobicContact CD2-CG1 4.41Å; F42-V97 HydrophobicContact CD2-CG2 3.49Å; F42-V97 VanDerWaalsContact CD2-CG2 3.49Å; F42-V97 HydrophobicContact CE1-CG2 4.28Å; F42-V97 HydrophobicContact CE2-CG2 3.7Å; F42-V97 HydrophobicContact CG-CB 4.48Å; F42-V97 HydrophobicContact CG-CG1 3.86Å; F42-V97 HydrophobicContact CG-CG2 3.75Å; F42-V97 HydrophobicContact CZ-CG2 4.08Å; F42-N181 PolarHBondContact N-O 3.49Å; F42-G182 CarbonylContact O-C 3.54Å; F42-G182 WeakPolarHBondContact O-CA 3.5Å; F42-N183 PolarHBondContact O-N 3.23Å; F42-V184 HydrophobicContact CB-CB 4.45Å; F42-V184 HydrophobicContact CD1-CB 3.92Å; F42-V184 HydrophobicContact CD1-CG1 3.56Å; F42-V184 HydrophobicContact CD2-CB 4.03Å; F42-V184 HydrophobicContact CD2-CG1 4.45Å; F42-V184 HydrophobicContact CD2-CG2 4.49Å; F42-V184 HydrophobicContact CE1-CB 4.14Å; F42-V184 HydrophobicContact CE1-CG1 3.51Å; F42-V184 HydrophobicContact CE2-CB 4.22Å; F42-V184 HydrophobicContact CE2-CG1 4.39Å; F42-V184 HydrophobicContact CE2-CG2 4.34Å; F42-V184 HydrophobicContact CG-CB 3.87Å; F42-V184 HydrophobicContact CG-CG1 4.06Å; F42-V184 HydrophobicContact CZ-CB 4.28Å; F42-V184 HydrophobicContact CZ-CG1 3.95Å; F42-V184 PolarHBondContact O-N 2.81Å; F42-V184 VanDerWaalsContact O-N 3.11Å; F42-G185 PolarHBondContact O-N 2.9Å; F42-G185 VanDerWaalsContact O-N 3.09Å
43H92.8Very high83.6Confident30 Ų3063.9 Ų63.914%0.13932%0.315CS..  trans-111105.4172.6-172.473000111.8E172 P175 N183H43-E172 WeakPolarHBondContact CB-O 3.45Å; H43-P175 HydrophobicContact CB-CB 4.19Å; H43-N183 VanDerWaalsContact CA-OD1 3.24Å; H43-N183 WeakPolarHBondContact CA-OD1 3.34Å; H43-N183 PolarHBondContact ND1-OD1 3.18Å
44Y92.9Very high81.3Confident8 Ų870 Ų703%0.03136%0.355CS..  trans-81.6127.8178.5-178.3-114000112.3I17 F21 L26 H46 C93 C95 N183I17-Y44 HydrophobicContact CD1-CD2 4.38Å; I17-Y44 HydrophobicContact CD1-CE2 3.82Å; I17-Y44 HydrophobicContact CG2-CE2 4.36Å; F21-Y44 WeakPolarHBondContact O-CE1 3.48Å; F21-Y44 PolarHBondContact O-OH 3.2Å; L26-Y44 HydrophobicContact CD1-CD1 3.63Å; L26-Y44 HydrophobicContact CD1-CD2 3.48Å; L26-Y44 VanDerWaalsContact CD1-CD2 3.48Å; L26-Y44 HydrophobicContact CD1-CE1 3.99Å; L26-Y44 HydrophobicContact CD1-CE2 3.87Å; L26-Y44 HydrophobicContact CD1-CG 3.34Å; Y44-H46 AromaticContact CE1-CD2 3.9Å; Y44-H46 AromaticContact CE1-NE2 3.78Å; Y44-C93 WeakPolarHBondContact OH-CB 3.37Å; Y44-C95 HydrophobicContact CD2-CB 3.85Å; Y44-C95 HydrophobicContact CE2-CB 4.35Å; Y44-N183 PolarHBondContact N-OD1 3.06Å; Y44-N183 PolarHBondContact O-ND2 2.71Å
45R89.5Confident78.8Confident131 Ų13179.4 Ų79.449%0.49440%0.399SS..  trans-128.3142.5167.4-60.1-17666.7174.9-2.7107.8R47R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.14Å
46H87.8Confident76.2Confident89 Ų8979.9 Ų79.941%0.41242%0.421SS..  trans-66.887.8179.1-75.6-100.5000111V19 F21 H22 Y44V19-H46 PolarHBondContact O-CE1 3.07Å; F21-H46 PolarHBondContact O-CE1 3.25Å; F21-H46 PolarHBondContact O-NE2 3.06Å; H22-H46 AromaticContact CD2-NE2 3.42Å; H22-H46 PolarHBondContact CD2-NE2 3.22Å; H22-H46 AromaticContact CG-NE2 3.88Å; H22-H46 AromaticContact NE2-NE2 3.78Å; Y44-H46 AromaticContact CE1-CD2 3.9Å; Y44-H46 AromaticContact CE1-NE2 3.78Å
47R87.6Confident73.6Confident108 Ų10882.8 Ų82.841%0.40844%0.442SS..EExtended strand (participates in β ladder)trans-103.4121.4175.9-175.7173-171.9158.9-0.6108.9R45 C93 C94 E172R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 3.14Å; R47-C93 CarbonylContact O-C 3.5Å; R47-C93 WeakPolarHBondContact O-CA 3.1Å; R47-C93 WeakPolarHBondContact O-CB 3.48Å; R47-C94 PolarHBondContact O-N 3.31Å; R47-E172 VanDerWaalsContact CD-OE1 3.25Å; R47-E172 WeakPolarHBondContact CD-OE1 3.25Å; R47-E172 IonicContact CZ-OE1 3.58Å; R47-E172 IonicContact NH1-OE1 3.7Å; R47-E172 PolarHBondContact NH1-OE1 3.21Å
48P85.4Confident71.1Confident83 Ų8389.8 Ų89.854%0.53946%0.464SS..EExtended strand (participates in β ladder)trans-68.6137-179.928-33.2000110.7S92P48-S92 WeakPolarHBondContact CA-O 3.48Å
49E84.3Confident68.5Low40 Ų4095.3 Ų95.319%0.18750%0.499CS..PPolyproline II helixtrans-79.6131172.9-173.1174-165.400109.8S15 N16 L51 S92 C94S15-E49 WeakPolarHBondContact CB-OE1 3.47Å; N16-E49 WeakPolarHBondContact CA-OE2 3.43Å; N16-E49 PolarHBondContact N-OE2 3.44Å; E49-L51 HydrophobicContact CG-CD2 4.23Å; E49-S92 PolarHBondContact N-O 3.47Å; E49-S92 WeakPolarHBondContact OE2-CB 3.19Å; E49-S92 PolarHBondContact OE2-OG 3.03Å; E49-C94 HydrophobicContact CB-CB 4.27Å; E49-C94 HydrophobicContact CG-CB 4.47Å
50V77.7Confident65.5Low129 Ų12999.9 Ų99.978%0.78254%0.538SS*.  trans-97.2101.2171.3-178.10000107.1R52V50-R52 PolarHBondContact O-N 3.15Å
51L69.4Low62.6Low114 Ų114101.7 Ų101.760%0.59755%0.554SS**  trans-72.8114.7172.9-64.3170.2000107.9E49E49-L51 HydrophobicContact CG-CD2 4.23Å
52R56.7Low59.5Low192 Ų192109.4 Ų109.473%0.72560%0.595SS**  trans-75.5121161.7-79.3-174.6173.9172.7-0.7106.7V50V50-R52 PolarHBondContact O-N 3.15Å
53E38.4Very low56.4Low174 Ų174117.1 Ų117.181%0.81363%0.631SS**  trans-59.5134.2168.5-65.5-168.3164.500108.2E55E53-E55 PolarHBondContact O-N 3.41Å; E53-E55 VanDerWaalsContact O-N 3.1Å
54P42.4Very low53.3Low130 Ų130123.2 Ų123.284%0.84466%0.664SS**  trans-66.2112.5176.426.4-31.2000108.8G56P54-G56 PolarHBondContact O-N 3.28Å
55E37.7Very low50.2Low200 Ų200126 Ų12694%0.93570%0.696SS**  trans-66.7120.5166.8-68.8-170.8166.600109.2E53E53-E55 PolarHBondContact O-N 3.41Å; E53-E55 VanDerWaalsContact O-N 3.1Å
56G33.6Very low47.2Very low74 Ų74128.3 Ų128.376%0.76371%0.712SS**  trans87.191.8154.600000117.5P54P54-G56 PolarHBondContact O-N 3.28Å
57S31.5Very low44.3Very low117 Ų117133 Ų13382%0.81873%0.731SS**  trans-107.894.6140.361.20000108
58E31.7Very low41.3Very low185 Ų185132 Ų13286%0.86475%0.747SS**PPolyproline II helixtrans-51122.8165.5-71.3-88.5144.300109.6A60E58-A60 PolarHBondContact O-N 2.97Å
59P32.3Very low38.4Very low116 Ų116133.2 Ų133.275%0.75376%0.757SS**PPolyproline II helixtrans-75.4124.416529.1-27.5000108.6V61P59-V61 PolarHBondContact O-N 3.06Å
60A28.7Very low35.6Very low99 Ų99136.2 Ų136.282%0.81878%0.782SS**PPolyproline II helixtrans-52.8134.5174.500000111.4E58E58-A60 PolarHBondContact O-N 2.97Å
61V29.8Very low33.1Very low112 Ų112136.7 Ų136.768%0.67979%0.785SS**PPolyproline II helixtrans-67.5130.4170.1174.20000109.3P59 Q63P59-V61 PolarHBondContact O-N 3.06Å; V61-Q63 HydrophobicContact CG1-CG 4.14Å
62D25.7Very low31.1Very low167 Ų167136.3 Ų136.389%0.89379%0.792SS**  trans-128.7127.2146.4-86.9-37.7000108.9
63Q28.9Very low30.1Very low161 Ų161132.5 Ų132.575%0.75279%0.793SS**  trans-74.3141.9179.1-62.4165.930.700108.9V61V61-Q63 HydrophobicContact CG1-CG 4.14Å
64D27.2Very low29.5Very low158 Ų158132.7 Ų132.785%0.84579%0.793SS**  -170.6152.878-76.5-41.9000105.7
65G27Very low29Very low68 Ų68130.9 Ų130.970%0.70178%0.782SS**  cis155.5137.827.400000106.7
66E26.8Very low28.4Very low178 Ų178130.7 Ų130.783%0.83278%0.781SS**  trans86.4107.4158.4-51.2-156.6128.200122.8
67K26.6Very low28.3Very low187 Ų187136.2 Ų136.281%0.81379%0.786SS**  63.1111.7129.2-76.2179.2179.8164.70122
68A25.2Very low28Very low89 Ų89136 Ų13674%0.73679%0.785SS**  84.2126.9117.100000120.9
69S24.9Very low27.9Very low108 Ų108133.6 Ų133.676%0.75578%0.783SS**  trans75.7103.4144.3-74.30000119.9
70S25.5Very low27.8Very low102 Ų102137 Ų13771%0.71379%0.789SS**  49133114.371.10000120.4
71V25.9Very low28.1Very low139 Ų139144.3 Ų144.384%0.84280%0.795SS**  trans117.2115.3146.6-176.60000114.4
72S27.7Very low28Very low106 Ų106143.9 Ų143.974%0.74180%0.797SS**  trans-52.4164.3166-40.20000112.4
73P34.7Very low28.1Very low113 Ų113141.4 Ų141.473%0.73479%0.792SS**  -15615759.139.9-17.8000118.4
74E25Very low28.2Very low177 Ų177140 Ų14083%0.82779%0.794SS**  trans57.1164.7138.5-70.8-54.811800121.6
75P32.4Very low28.4Very low93 Ų93137 Ų13760%0.60479%0.785SS**  trans-110.9157.4-130.541.1-34.8000114.1
76H26Very low28.7Very low196 Ų196143.1 Ų143.191%0.90779%0.793SS**  trans-140.4133.6156.6-81.9-77.6000111.3
77E30Very low29.2Very low189 Ų189141 Ų14188%0.88379%0.792SS**  trans-57138.2-178.5-67.2171.5128.300113.4
78S25.5Very low30Very low112 Ų112138.1 Ų138.178%0.78379%0.79SS**  -174.7118.6127.935.40000110.8
79T30.1Very low31.5Very low135 Ų135138.2 Ų138.283%0.82879%0.79SS**  trans12.8109.5144.4-51.90000117.3
80Q30.4Very low33.6Very low187 Ų187137.6 Ų137.687%0.87478%0.782SS**  -165.6122.7129.2-103.9166.827.600110.2S82Q80-S82 PolarHBondContact O-N 2.88Å; Q80-S82 VanDerWaalsContact O-N 3.14Å
81R34.4Very low36.3Very low253 Ų253142.1 Ų142.196%0.95578%0.783SS**  trans-62.5108175.4-73.2171.8177.2168.4-1.8109.2
82S28Very low39.3Very low103 Ų103135.7 Ų135.772%0.7274%0.744SS**  trans-106.3102.4160.8177.50000108.3Q80 V84Q80-S82 PolarHBondContact O-N 2.88Å; Q80-S82 VanDerWaalsContact O-N 3.14Å; S82-V84 PolarHBondContact O-N 3.12Å
83C28.2Very low42.4Very low116 Ų116130.9 Ų130.978%0.78471%0.711SS**  trans-73.998.117242.90000109.2S85C83-S85 VanDerWaalsContact C-N 3.33Å; C83-S85 PolarHBondContact O-N 3.33Å
84V30.2Very low45.1Very low131 Ų131127 Ų12779%0.79469%0.686SS**  trans-77.489.9165.7-1740000107.7S82 K86S82-V84 PolarHBondContact O-N 3.12Å; V84-K86 PolarHBondContact O-N 2.98Å
85S31.6Very low48.2Very low95 Ų95118.7 Ų118.766%0.66465%0.647SS**  trans-70105.1169.842.50000109.5C83 T87C83-S85 VanDerWaalsContact C-N 3.33Å; C83-S85 PolarHBondContact O-N 3.33Å; S85-T87 PolarHBondContact O-N 2.95Å; S85-T87 VanDerWaalsContact O-N 3.07Å
86K34.5Very low51.1Low197 Ų197115.3 Ų115.386%0.85762%0.624SS**  trans-57.7111.6161.4-81.2178175.6175.40107.9V84 V88V84-K86 PolarHBondContact O-N 2.98Å; K86-V88 PolarHBondContact O-N 2.7Å
87T36.2Very low54.3Low134 Ų134106 Ų10682%0.82258%0.581SS**  trans-64.6117.2175.843.60000109.3S85 A89S85-T87 PolarHBondContact O-N 2.95Å; S85-T87 VanDerWaalsContact O-N 3.07Å; T87-A89 PolarHBondContact O-N 3.19Å
88V44.8Very low57.3Low126 Ų12697.1 Ų97.176%0.76454%0.54SS*.  trans-64.3118.5171.1177.10000107.4K86 V90K86-V88 PolarHBondContact O-N 2.7Å; V88-V90 PolarHBondContact O-N 3.22Å
89A56.7Low60.4Low90 Ų9091.8 Ų91.874%0.74450%0.503SS*.  trans-57.9107.2176.600000110.1T87 R91T87-A89 PolarHBondContact O-N 3.19Å; A89-R91 PolarHBondContact O-N 3.24Å
90V67.4Low63.4Low96 Ų9687.2 Ų87.258%0.58247%0.472SS*.  trans-72.3110.6-176.4-1780000108.8V88V88-V90 PolarHBondContact O-N 3.22Å
91R83.3Confident66.1Low197 Ų19780.3 Ų80.374%0.74345%0.446SS*.  trans-65.8136.2179.9-57.717979.4168.94110.2V19 A89 R126V19-R91 HydrophobicContact CG2-CB 4.04Å; V19-R91 WeakPolarHBondContact CG2-O 3.25Å; A89-R91 PolarHBondContact O-N 3.24Å; R91-R126 PolarHBondContact O-NH1 2.89Å
92S89.2Confident68.7Low3 Ų376.3 Ų76.32%0.02144%0.439CS..EExtended strand (participates in β ladder)trans-113165.9168.9-3.60000112.3P48 E49 R126P48-S92 WeakPolarHBondContact CA-O 3.48Å; E49-S92 PolarHBondContact N-O 3.47Å; E49-S92 WeakPolarHBondContact OE2-CB 3.19Å; E49-S92 PolarHBondContact OE2-OG 3.03Å; S92-R126 PolarHBondContact OG-NH2 3.24Å
93C91.3Very high71.6Confident6 Ų674.1 Ų74.14%0.04142%0.417CS..EExtended strand (participates in β ladder)trans-106.8160.6157.8-64.30000111.7I17 Y44 R47I17-C93 HydrophobicContact CB-CB 4.12Å; I17-C93 WeakPolarHBondContact CB-O 3.35Å; I17-C93 HydrophobicContact CG2-CB 4.46Å; I17-C93 PolarHBondContact N-O 3.15Å; I17-C93 PolarHBondContact O-N 2.95Å; Y44-C93 WeakPolarHBondContact OH-CB 3.37Å; R47-C93 CarbonylContact O-C 3.5Å; R47-C93 WeakPolarHBondContact O-CA 3.1Å; R47-C93 WeakPolarHBondContact O-CB 3.48Å
94C91.1Very high74.5Confident31 Ų3168.7 Ų68.721%0.20938%0.381CS..EExtended strand (participates in β ladder)trans-136.3159.9172.762.70000111I14 R47 E49I14-C94 CarbonylContact O-C 3.32Å; I14-C94 VanDerWaalsContact O-CA 3.25Å; I14-C94 WeakPolarHBondContact O-CA 3.27Å; I14-C94 WeakPolarHBondContact O-CB 3.3Å; R47-C94 PolarHBondContact O-N 3.31Å; E49-C94 HydrophobicContact CB-CB 4.27Å; E49-C94 HydrophobicContact CG-CB 4.47Å
95C91.8Very high77.3Confident2 Ų267.8 Ų67.81%0.01437%0.367CS..EExtended strand (participates in β ladder)trans-150.5157.4172.364.70000112.1A13 I14 I17 Y44 E172A13-C95 CarbonylContact C-O 3.55Å; A13-C95 WeakPolarHBondContact CA-O 3.46Å; I14-C95 PolarHBondContact N-O 3.04Å; I14-C95 PolarHBondContact O-N 2.74Å; I17-C95 HydrophobicContact CD1-CB 4.4Å; I17-C95 VanDerWaalsContact CD1-SG 3.57Å; Y44-C95 HydrophobicContact CD2-CB 3.85Å; Y44-C95 HydrophobicContact CE2-CB 4.35Å; C95-E172 WeakPolarHBondContact CA-OE2 3.49Å
96I92.3Very high80.1Confident23 Ų2367 Ų6712%0.11835%0.35CS..EExtended strand (participates in β ladder)trans-108.1138.8176-64.3165.1000109L12 I133 L170 E172 L173L12-I96 WeakPolarHBondContact O-CA 3.39Å; I96-I133 HydrophobicContact CD1-CD1 4.44Å; I96-I133 HydrophobicContact CG1-CD1 4.13Å; I96-I133 HydrophobicContact CG2-CD1 3.86Å; I96-L170 HydrophobicContact CD1-CD1 3.51Å; I96-E172 PolarHBondContact N-OE2 3.33Å; I96-L173 HydrophobicContact CG2-CD1 4.48Å
97V93.4Very high82.7Confident0 Ų057.6 Ų57.60%031%0.309CS..EExtended strand (participates in β ladder)trans-135.3142.5-174.4-175.20000109.8Y11 L12 I14 F39 C41 F42 V99Y11-V97 WeakPolarHBondContact CA-O 3.4Å; L12-V97 PolarHBondContact N-O 2.76Å; L12-V97 PolarHBondContact O-N 2.88Å; I14-V97 HydrophobicContact CD1-CG2 3.74Å; I14-V97 HydrophobicContact CG1-CG2 4.23Å; F39-V97 HydrophobicContact CD1-CG1 3.45Å; F39-V97 VanDerWaalsContact CD1-CG1 3.45Å; F39-V97 HydrophobicContact CE1-CG1 3.51Å; C41-V97 WeakPolarHBondContact O-CG1 3.41Å; F42-V97 HydrophobicContact CB-CG1 3.75Å; F42-V97 HydrophobicContact CB-CG2 4.4Å; F42-V97 HydrophobicContact CD1-CG1 4.15Å; F42-V97 HydrophobicContact CD1-CG2 4.14Å; F42-V97 HydrophobicContact CD2-CG1 4.41Å; F42-V97 HydrophobicContact CD2-CG2 3.49Å; F42-V97 VanDerWaalsContact CD2-CG2 3.49Å; F42-V97 HydrophobicContact CE1-CG2 4.28Å; F42-V97 HydrophobicContact CE2-CG2 3.7Å; F42-V97 HydrophobicContact CG-CB 4.48Å; F42-V97 HydrophobicContact CG-CG1 3.86Å; F42-V97 HydrophobicContact CG-CG2 3.75Å; F42-V97 HydrophobicContact CZ-CG2 4.08Å; V97-V99 HydrophobicContact CG1-CG2 4.15Å
98S92Very high85.3Confident3 Ų353.3 Ų53.32%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-108.3128.3171.958.70000110.9H40 C41H40-S98 PolarHBondContact N-O 2.9Å; C41-S98 WeakPolarHBondContact CB-OG 3.41Å; C41-S98 PolarHBondContact N-O 3.32Å; C41-S98 VanDerWaalsContact N-O 3.12Å; C41-S98 PolarHBondContact N-OG 3.35Å; C41-S98 VanDerWaalsContact N-OG 3.13Å; C41-S98 PolarHBondContact O-N 3.35Å; C41-S98 PolarHBondContact O-OG 3.47Å
99V92.6Very high87.4Confident0 Ų055.8 Ų55.80%028%0.276CS..EExtended strand (participates in β ladder)trans-125.8148.5-175.7-169.10000109V10 L12 F33 G38 F39 V97 H103V10-V99 PolarHBondContact N-O 3.33Å; V10-V99 PolarHBondContact O-N 3.47Å; L12-V99 HydrophobicContact CD1-CG2 3.85Å; L12-V99 HydrophobicContact CG-CG2 4.4Å; F33-V99 HydrophobicContact CE1-CG1 4.05Å; F33-V99 HydrophobicContact CZ-CG1 3.72Å; G38-V99 VanDerWaalsContact O-CG1 3.27Å; G38-V99 WeakPolarHBondContact O-CG1 3.25Å; F39-V99 HydrophobicContact CD1-CG2 3.88Å; F39-V99 HydrophobicContact CE1-CG2 3.99Å; V97-V99 HydrophobicContact CG1-CG2 4.15Å; V99-H103 HydrophobicContact CG1-CB 4.22Å
100H91.4Very high88.8Confident39 Ų3951.8 Ų51.818%0.18124%0.242CC..EExtended strand (participates in β ladder)trans-63.5139.3169.1-62.8-93.1000110.2E7 E102 H103 A104E7-H100 IonicContact OE1-CE1 3.43Å; E7-H100 IonicContact OE2-CE1 3.6Å; E7-H100 PolarHBondContact OE2-CE1 3.31Å; E7-H100 IonicContact OE2-ND1 3.94Å; H100-E102 PolarHBondContact O-N 2.77Å; H100-E102 VanDerWaalsContact O-N 3.13Å; H100-H103 PolarHBondContact O-N 2.81Å; H100-A104 PolarHBondContact O-N 2.92Å
101A88.3Confident89.9Confident41 Ų4147.2 Ų47.234%0.33921%0.214SC..Hα-helixtrans-55.9-33.8-17600000113.6R8 V10 H103 A104R8-A101 HydrophobicContact CB-CB 3.88Å; R8-A101 WeakPolarHBondContact O-CB 3.21Å; R8-A101 PolarHBondContact O-N 2.93Å; V10-A101 HydrophobicContact CG2-CB 3.88Å; A101-H103 PolarHBondContact O-N 2.9Å; A101-A104 PolarHBondContact O-N 2.92Å
102E88.4Confident90.3Very high170 Ų17039.6 Ų39.679%0.79419%0.194SC*.Hα-helixtrans-64.8-28.4179.5-58.4-175.3176.500113H100H100-E102 PolarHBondContact O-N 2.77Å; H100-E102 VanDerWaalsContact O-N 3.13Å
103H88.6Confident90.1Very high56 Ų5641.5 Ų41.526%0.25921%0.214SC..Hα-helixtrans-106.1-6-175.3-57.4-40.1000113.1F33 V99 H100 A101 R106 F107F33-H103 HydrophobicContact CE2-CB 3.91Å; F33-H103 HydrophobicContact CZ-CB 3.72Å; V99-H103 HydrophobicContact CG1-CB 4.22Å; H100-H103 PolarHBondContact O-N 2.81Å; A101-H103 PolarHBondContact O-N 2.9Å; H103-R106 PolarHBondContact O-N 2.85Å; H103-F107 WeakPolarHBondContact O-CB 3.36Å; H103-F107 PolarHBondContact O-N 2.83Å
104A88.9Confident90Very high3 Ų342.7 Ų42.73%0.02522%0.22CC..Hα-helixtrans-63.7-46.7-176.700000112.8V10 H100 A101 R106 F107 I108V10-A104 HydrophobicContact CB-CB 4.04Å; V10-A104 HydrophobicContact CG1-CB 4.17Å; V10-A104 HydrophobicContact CG2-CB 4.25Å; H100-A104 PolarHBondContact O-N 2.92Å; A101-A104 PolarHBondContact O-N 2.92Å; A104-R106 VanDerWaalsContact C-N 3.35Å; A104-F107 PolarHBondContact O-N 2.97Å; A104-I108 WeakPolarHBondContact O-CG1 3.4Å; A104-I108 PolarHBondContact O-N 2.81Å; A104-I108 VanDerWaalsContact O-N 3.1Å
105E89.9Confident89.9Confident111 Ų11143.3 Ų43.352%0.51922%0.22SC..Hα-helixtrans-66.1-39.1178.3-66.5-61.7155.800111.5I108 R109 R132E105-I108 PolarHBondContact O-N 2.77Å; E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 PolarHBondContact O-N 2.84Å; E105-R132 IonicContact OE1-NH1 3.97Å
106R89.7Confident89.9Confident79 Ų7943.2 Ų43.230%0.29822%0.219SC..Hα-helixtrans-60.7-45.7174.6-179.9176.8173.3-178.52.6111.4H103 A104 I108 R109 M110 E238H103-R106 PolarHBondContact O-N 2.85Å; A104-R106 VanDerWaalsContact C-N 3.35Å; R106-I108 PolarHBondContact O-N 2.86Å; R106-R109 PolarHBondContact O-N 2.84Å; R106-M110 HydrophobicContact CG-CG 4.42Å; R106-M110 HydrophobicContact CG-SD 3.84Å; R106-M110 WeakPolarHBondContact O-CB 3.19Å; R106-M110 VanDerWaalsContact O-CG 3.31Å; R106-M110 WeakPolarHBondContact O-CG 3.04Å; R106-M110 PolarHBondContact O-N 2.9Å; R106-E238 WeakPolarHBondContact CD-OE1 3.42Å; R106-E238 IonicContact NE-OE1 3.07Å; R106-E238 PolarHBondContact NE-OE1 2.79Å
107F90.3Very high89.8Confident0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-60.2-45.6177.8-179.6-110.6000112.5L12 I14 F30 F33 F39 H103 A104 M110 Y111 I130L12-F107 HydrophobicContact CD1-CD1 3.45Å; L12-F107 VanDerWaalsContact CD1-CD1 3.45Å; L12-F107 HydrophobicContact CD1-CE1 3.96Å; I14-F107 HydrophobicContact CD1-CE1 4.37Å; I14-F107 HydrophobicContact CD1-CZ 4.01Å; F30-F107 AromaticContact CD1-CE2 3.58Å; F30-F107 HydrophobicContact CD1-CE2 3.58Å; F30-F107 HydrophobicContact CD1-CZ 4.04Å; F30-F107 AromaticContact CE1-CE2 3.63Å; F30-F107 HydrophobicContact CE1-CE2 3.63Å; F30-F107 AromaticContact CE1-CZ 3.64Å; F30-F107 HydrophobicContact CE1-CZ 3.64Å; F30-F107 HydrophobicContact CG-CE2 4.48Å; F30-F107 HydrophobicContact CZ-CZ 4.23Å; F33-F107 HydrophobicContact CB-CD2 4.49Å; F33-F107 AromaticContact CD1-CD2 3.7Å; F33-F107 HydrophobicContact CD1-CD2 3.7Å; F33-F107 HydrophobicContact CD1-CE2 4.28Å; F33-F107 HydrophobicContact CD2-CB 4.23Å; F33-F107 HydrophobicContact CD2-CD2 4.07Å; F33-F107 HydrophobicContact CE1-CB 4.22Å; F33-F107 AromaticContact CE1-CD2 3.82Å; F33-F107 HydrophobicContact CE1-CD2 3.82Å; F33-F107 HydrophobicContact CE1-CG 4.22Å; F33-F107 HydrophobicContact CE2-CB 3.65Å; F33-F107 HydrophobicContact CE2-CD2 4.19Å; F33-F107 HydrophobicContact CE2-CG 4.37Å; F33-F107 AromaticContact CG-CD2 3.82Å; F33-F107 HydrophobicContact CG-CD2 3.82Å; F33-F107 HydrophobicContact CZ-CB 3.64Å; F33-F107 HydrophobicContact CZ-CD2 4.08Å; F33-F107 HydrophobicContact CZ-CG 4.14Å; F39-F107 HydrophobicContact CE1-CD2 4.24Å; F39-F107 HydrophobicContact CE1-CE1 4.49Å; F39-F107 AromaticContact CE1-CE2 3.91Å; F39-F107 HydrophobicContact CE1-CE2 3.91Å; F39-F107 HydrophobicContact CE1-CZ 4.03Å; F39-F107 HydrophobicContact CE2-CE2 4.48Å; F39-F107 AromaticContact CZ-CD2 3.96Å; F39-F107 HydrophobicContact CZ-CD2 3.96Å; F39-F107 AromaticContact CZ-CE2 3.42Å; F39-F107 HydrophobicContact CZ-CE2 3.42Å; F39-F107 VanDerWaalsContact CZ-CE2 3.42Å; F39-F107 AromaticContact CZ-CZ 3.84Å; F39-F107 HydrophobicContact CZ-CZ 3.84Å; H103-F107 WeakPolarHBondContact O-CB 3.36Å; H103-F107 PolarHBondContact O-N 2.83Å; A104-F107 PolarHBondContact O-N 2.97Å; F107-M110 PolarHBondContact O-N 3.36Å; F107-Y111 AromaticContact CD2-CD2 3.58Å; F107-Y111 HydrophobicContact CD2-CD2 3.58Å; F107-Y111 AromaticContact CD2-CE2 3.98Å; F107-Y111 HydrophobicContact CD2-CE2 3.98Å; F107-Y111 AromaticContact CE2-CD2 3.58Å; F107-Y111 HydrophobicContact CE2-CD2 3.58Å; F107-Y111 HydrophobicContact CE2-CE2 4.07Å; F107-Y111 HydrophobicContact CE2-CG 4.29Å; F107-Y111 HydrophobicContact CG-CD2 4.49Å; F107-Y111 WeakPolarHBondContact O-CD2 3.33Å; F107-Y111 PolarHBondContact O-N 2.98Å; F107-Y111 VanDerWaalsContact O-N 3.16Å; F107-I130 HydrophobicContact CD1-CD1 4.09Å; F107-I130 HydrophobicContact CD1-CG2 4.36Å; F107-I130 HydrophobicContact CE1-CD1 3.58Å; F107-I130 HydrophobicContact CE1-CG1 4.3Å; F107-I130 HydrophobicContact CE1-CG2 4.05Å; F107-I130 HydrophobicContact CZ-CD1 3.93Å
108I90.2Very high89.5Confident44 Ų4444.5 Ų44.523%0.22623%0.226CC..Hα-helixtrans-62-46.7178-66.2166.8000109.9L12 A104 E105 R106 M110 Y111 A112 I130L12-I108 HydrophobicContact CD1-CG1 4.33Å; L12-I108 HydrophobicContact CD2-CD1 4.15Å; A104-I108 WeakPolarHBondContact O-CG1 3.4Å; A104-I108 PolarHBondContact O-N 2.81Å; A104-I108 VanDerWaalsContact O-N 3.1Å; E105-I108 PolarHBondContact O-N 2.77Å; R106-I108 PolarHBondContact O-N 2.86Å; I108-M110 VanDerWaalsContact C-N 3.34Å; I108-M110 PolarHBondContact O-N 2.74Å; I108-Y111 PolarHBondContact O-N 2.8Å; I108-A112 HydrophobicContact CG2-CB 3.95Å; I108-A112 WeakPolarHBondContact O-CB 3.44Å; I108-A112 PolarHBondContact O-N 3.4Å; I108-I130 HydrophobicContact CG1-CG2 4.09Å
109R89.2Confident88.9Confident178 Ų17847.7 Ų47.767%0.67225%0.248SC*.Hα-helixtrans-60.2-41.3179.3-172.7-176.7-62.6171.5-2.2112.9E105 R106 E238E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 PolarHBondContact O-N 2.84Å; R106-R109 PolarHBondContact O-N 2.84Å; R109-E238 IonicContact NH1-OE2 3.04Å; R109-E238 PolarHBondContact NH1-OE2 2.82Å
110M86.6Confident88.4Confident5 Ų556.1 Ų56.13%0.02529%0.285CS..Hα-helixtrans-74-33-176.7-72.4178.67300113.5Q32 R106 F107 I108 N114 V241Q32-M110 HydrophobicContact CB-CE 4.33Å; Q32-M110 VanDerWaalsContact OE1-CE 3.28Å; R106-M110 HydrophobicContact CG-CG 4.42Å; R106-M110 HydrophobicContact CG-SD 3.84Å; R106-M110 WeakPolarHBondContact O-CB 3.19Å; R106-M110 VanDerWaalsContact O-CG 3.31Å; R106-M110 WeakPolarHBondContact O-CG 3.04Å; R106-M110 PolarHBondContact O-N 2.9Å; F107-M110 PolarHBondContact O-N 3.36Å; I108-M110 VanDerWaalsContact C-N 3.34Å; I108-M110 PolarHBondContact O-N 2.74Å; M110-N114 PolarHBondContact O-ND2 3.39Å; M110-V241 HydrophobicContact CB-CG2 3.93Å; M110-V241 HydrophobicContact CE-CG1 4.5Å; M110-V241 HydrophobicContact CE-CG2 3.92Å; M110-V241 HydrophobicContact CG-CG2 4.18Å; M110-V241 WeakPolarHBondContact O-CG2 3.29Å
111Y89.7Confident87.9Confident0 Ų054.8 Ų54.80%028%0.282CS..Hα-helixtrans-124.8-17-167.3-63.3-76.6000115.7Y29 F30 F33 F107 I108 G113 C128 V241Y29-Y111 HydrophobicContact CD1-CD1 4.08Å; Y29-Y111 HydrophobicContact CD1-CE1 4.36Å; Y29-Y111 AromaticContact CE1-CD1 3.52Å; Y29-Y111 HydrophobicContact CE1-CD1 3.52Å; Y29-Y111 HydrophobicContact CE1-CE1 4.21Å; Y29-Y111 HydrophobicContact CE1-CG 4.34Å; Y29-Y111 WeakPolarHBondContact O-CE1 3.32Å; F30-Y111 AromaticContact CD1-CD1 3.62Å; F30-Y111 HydrophobicContact CD1-CD1 3.62Å; F30-Y111 AromaticContact CD1-CD2 3.84Å; F30-Y111 HydrophobicContact CD1-CD2 3.84Å; F30-Y111 AromaticContact CD1-CE1 3.72Å; F30-Y111 HydrophobicContact CD1-CE1 3.72Å; F30-Y111 AromaticContact CD1-CE2 3.95Å; F30-Y111 HydrophobicContact CD1-CE2 3.95Å; F30-Y111 AromaticContact CD1-CG 3.67Å; F30-Y111 HydrophobicContact CD1-CG 3.67Å; F30-Y111 AromaticContact CD1-CZ 3.89Å; F30-Y111 AromaticContact CE1-CD1 3.73Å; F30-Y111 HydrophobicContact CE1-CD1 3.73Å; F30-Y111 HydrophobicContact CE1-CD2 4.05Å; F30-Y111 HydrophobicContact CE1-CE1 4.31Å; F30-Y111 AromaticContact CE1-CG 3.57Å; F30-Y111 HydrophobicContact CE1-CG 3.57Å; F33-Y111 HydrophobicContact CB-CE2 3.75Å; F33-Y111 HydrophobicContact CG-CE2 4.4Å; F107-Y111 AromaticContact CD2-CD2 3.58Å; F107-Y111 HydrophobicContact CD2-CD2 3.58Å; F107-Y111 AromaticContact CD2-CE2 3.98Å; F107-Y111 HydrophobicContact CD2-CE2 3.98Å; F107-Y111 AromaticContact CE2-CD2 3.58Å; F107-Y111 HydrophobicContact CE2-CD2 3.58Å; F107-Y111 HydrophobicContact CE2-CE2 4.07Å; F107-Y111 HydrophobicContact CE2-CG 4.29Å; F107-Y111 HydrophobicContact CG-CD2 4.49Å; F107-Y111 WeakPolarHBondContact O-CD2 3.33Å; F107-Y111 PolarHBondContact O-N 2.98Å; F107-Y111 VanDerWaalsContact O-N 3.16Å; I108-Y111 PolarHBondContact O-N 2.8Å; Y111-G113 PolarHBondContact O-N 3.34Å; Y111-C128 WeakPolarHBondContact O-CB 3.14Å; Y111-V241 HydrophobicContact CD1-CG1 4.04Å; Y111-V241 HydrophobicContact CE1-CG1 3.41Å; Y111-V241 VanDerWaalsContact CE1-CG1 3.41Å
112A90.4Very high87.8Confident38 Ų3857.6 Ų57.631%0.31429%0.291SS..THydrogen-bonded Turntrans-72.5130-178.300000110.9I108 N114 I130I108-A112 HydrophobicContact CG2-CB 3.95Å; I108-A112 WeakPolarHBondContact O-CB 3.44Å; I108-A112 PolarHBondContact O-N 3.4Å; A112-N114 PolarHBondContact O-N 2.85Å; A112-I130 HydrophobicContact CB-CB 4.26Å; A112-I130 HydrophobicContact CB-CD1 4.19Å; A112-I130 HydrophobicContact CB-CG1 4.42Å
113G85.7Confident87.7Confident42 Ų4254.5 Ų54.543%0.43327%0.272SS..THydrogen-bonded Turntrans82.9-7.6178.400000114.9Y111 R127 C128Y111-G113 PolarHBondContact O-N 3.34Å; G113-R127 WeakPolarHBondContact O-CD 3.41Å; G113-C128 PolarHBondContact N-O 3.48Å
114N89.1Confident87.6Confident32 Ų3253.9 Ų53.917%0.17127%0.271CS..PPolyproline II helixtrans-73.9151.9175.7-72.8-21.7000111.8Y29 M110 A112 R127 C128 V249Y29-N114 WeakPolarHBondContact OH-CB 3.13Å; M110-N114 PolarHBondContact O-ND2 3.39Å; A112-N114 PolarHBondContact O-N 2.85Å; N114-R127 CarbonylContact O-C 3.59Å; N114-R127 WeakPolarHBondContact O-CA 3.41Å; N114-R127 WeakPolarHBondContact O-CB 3.35Å; N114-C128 PolarHBondContact O-N 2.98Å; N114-V249 HydrophobicContact CB-CG1 3.73Å
115H90.1Very high87.5Confident44 Ų4458.6 Ų58.620%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-74.1145.9177-64.189.9000110Y29 W123 L124 R127Y29-H115 WeakPolarHBondContact CE2-O 3.3Å; H115-W123 HydrophobicContact CB-CE3 3.64Å; H115-W123 HydrophobicContact CB-CZ3 4.12Å; H115-L124 PolarHBondContact CD2-O 3.45Å; H115-L124 VanDerWaalsContact CD2-O 3.3Å; H115-R127 PolarHBondContact CE1-NE 3.13Å; H115-R127 PolarHBondContact NE2-NE 2.92Å; H115-R127 PolarHBondContact NE2-NH2 3.07Å
116W91.7Very high87.3Confident0 Ų055.3 Ų55.30%029%0.292CS..EExtended strand (participates in β ladder)trans-68.2137.7171.2-66.7110000110.2I14 N16 I17 P18 F21 L26 Y29 F30 L124 R126 C128I14-W116 HydrophobicContact CG2-CH2 4.02Å; I14-W116 HydrophobicContact CG2-CZ2 4.2Å; N16-W116 PolarHBondContact O-NE1 3.35Å; I17-W116 HydrophobicContact CB-CZ2 4.38Å; I17-W116 HydrophobicContact CG1-CH2 4.09Å; I17-W116 HydrophobicContact CG1-CZ2 3.77Å; P18-W116 HydrophobicContact CG-CB 4.16Å; P18-W116 HydrophobicContact CG-CG 3.96Å; F21-W116 HydrophobicContact CD2-CE3 4.24Å; F21-W116 HydrophobicContact CE2-CB 3.92Å; F21-W116 HydrophobicContact CE2-CD2 4.14Å; F21-W116 AromaticContact CE2-CE3 3.81Å; F21-W116 HydrophobicContact CE2-CE3 3.81Å; F21-W116 HydrophobicContact CE2-CG 4.24Å; F21-W116 HydrophobicContact CZ-CB 3.99Å; L26-W116 HydrophobicContact CD2-CH2 4.14Å; L26-W116 HydrophobicContact CD2-CZ3 3.89Å; Y29-W116 HydrophobicContact CD1-CE3 4Å; Y29-W116 AromaticContact CD1-CZ3 3.59Å; Y29-W116 HydrophobicContact CD1-CZ3 3.59Å; Y29-W116 HydrophobicContact CD2-CE3 4.02Å; Y29-W116 HydrophobicContact CD2-CZ3 4.43Å; Y29-W116 AromaticContact CE1-CE3 3.96Å; Y29-W116 HydrophobicContact CE1-CE3 3.96Å; Y29-W116 HydrophobicContact CE1-CH2 4.48Å; Y29-W116 AromaticContact CE1-CZ3 3.66Å; Y29-W116 HydrophobicContact CE1-CZ3 3.66Å; Y29-W116 AromaticContact CE2-CE3 3.97Å; Y29-W116 HydrophobicContact CE2-CE3 3.97Å; Y29-W116 HydrophobicContact CE2-CZ3 4.49Å; Y29-W116 HydrophobicContact CG-CE3 4.02Å; Y29-W116 AromaticContact CG-CZ3 3.99Å; Y29-W116 HydrophobicContact CG-CZ3 3.99Å; Y29-W116 AromaticContact CZ-CE3 3.95Å; F30-W116 HydrophobicContact CE2-CH2 4.17Å; F30-W116 HydrophobicContact CE2-CZ3 4.06Å; F30-W116 AromaticContact CZ-CH2 4Å; F30-W116 HydrophobicContact CZ-CH2 4Å; F30-W116 HydrophobicContact CZ-CZ3 4.06Å; W116-L124 HydrophobicContact CB-CB 4.09Å; W116-L124 HydrophobicContact CB-CD1 3.8Å; W116-L124 HydrophobicContact CB-CG 4.32Å; W116-L124 WeakPolarHBondContact O-CB 3.44Å; W116-L124 PolarHBondContact O-N 3.02Å; W116-R126 VanDerWaalsContact CD1-O 3.29Å; W116-R126 PolarHBondContact N-O 2.75Å; W116-C128 HydrophobicContact CD2-CB 4.26Å; W116-C128 HydrophobicContact CE3-CB 4.5Å; W116-C128 HydrophobicContact CH2-CB 3.93Å; W116-C128 HydrophobicContact CZ2-CB 3.63Å; W116-C128 HydrophobicContact CZ3-CB 4.35Å
117V89.3Confident87.3Confident2 Ų258 Ų581%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-113.2131.2178.5-176.50000108.8Y29 N122 W123 H247 V249Y29-V117 HydrophobicContact CD2-CB 4.47Å; V117-N122 WeakPolarHBondContact CA-O 3.47Å; V117-W123 HydrophobicContact CG2-CZ3 4.49Å; V117-H247 HydrophobicContact CG1-CB 4.26Å; V117-V249 HydrophobicContact CG2-CG2 4.36Å
118N86.8Confident87.4Confident47 Ų4758 Ų5825%0.25130%0.302SS..  trans-74.8167.3176.1-72.2-18000111.6F21 K120 G121 N122 L124F21-N118 VanDerWaalsContact CE1-OD1 3.23Å; F21-N118 WeakPolarHBondContact CE1-OD1 3.38Å; N118-K120 PolarHBondContact O-N 2.83Å; N118-G121 PolarHBondContact O-N 3.47Å; N118-N122 PolarHBondContact N-O 3.34Å; N118-L124 WeakPolarHBondContact OD1-CD1 3.36Å
119S80.3Confident87.5Confident70 Ų7058.1 Ų58.149%0.4931%0.305SS..THydrogen-bonded Turntrans-58.2-22.1173.9-12.90000113.3D25D25-S119 PolarHBondContact OD1-OG 3.46Å
120K81.6Confident87.7Confident177 Ų17750.6 Ų50.677%0.7728%0.278SS*.THydrogen-bonded Turntrans-86.40.6174.7-59.2-171.6177.8-169.10114.8N118N118-K120 PolarHBondContact O-N 2.83Å
121G81.6Confident87.9Confident11 Ų1157.9 Ų57.911%0.11331%0.305CS..SBendtrans85.10.5-178.100000115.9N118 H247N118-G121 PolarHBondContact O-N 3.47Å; G121-H247 VanDerWaalsContact CA-CD2 3.44Å; G121-H247 WeakPolarHBondContact CA-CD2 3.44Å; G121-H247 VanDerWaalsContact CA-CG 3.47Å
122N86.1Confident87.9Confident101 Ų10164.9 Ų64.954%0.5433%0.332SS..PPolyproline II helixtrans-78.3135.6-179.7-67-15.5000112.3V117 N118V117-N122 WeakPolarHBondContact CA-O 3.47Å; N118-N122 PolarHBondContact N-O 3.34Å
123W86.9Confident87.7Confident105 Ų10564.2 Ų64.240%0.39832%0.323SS..EExtended strand (participates in β ladder)trans-73.2126.8175.3-58.779.6000111.1H115 V117 E248 V249 S250 G251H115-W123 HydrophobicContact CB-CE3 3.64Å; H115-W123 HydrophobicContact CB-CZ3 4.12Å; V117-W123 HydrophobicContact CG2-CZ3 4.49Å; W123-E248 WeakPolarHBondContact CH2-O 3.5Å; W123-E248 WeakPolarHBondContact CZ2-O 3.31Å; W123-V249 VanDerWaalsContact CH2-C 3.41Å; W123-V249 WeakPolarHBondContact CH2-O 3.45Å; W123-V249 WeakPolarHBondContact CZ3-O 3.49Å; W123-S250 VanDerWaalsContact CH2-C 3.43Å; W123-S250 WeakPolarHBondContact CH2-O 3.4Å; W123-G251 VanDerWaalsContact CH2-N 3.3Å
124L86.1Confident87.6Confident43 Ų4372.1 Ų72.123%0.22534%0.339CS..EExtended strand (participates in β ladder)trans-89.6148.2171.3-64-179.2000110.6P18 F21 H115 W116 N118 R126P18-L124 HydrophobicContact CB-CD1 4.2Å; P18-L124 HydrophobicContact CG-CD1 3.58Å; F21-L124 HydrophobicContact CE1-CD1 3.62Å; F21-L124 HydrophobicContact CZ-CD1 3.56Å; H115-L124 PolarHBondContact CD2-O 3.45Å; H115-L124 VanDerWaalsContact CD2-O 3.3Å; W116-L124 HydrophobicContact CB-CB 4.09Å; W116-L124 HydrophobicContact CB-CD1 3.8Å; W116-L124 HydrophobicContact CB-CG 4.32Å; W116-L124 WeakPolarHBondContact O-CB 3.44Å; W116-L124 PolarHBondContact O-N 3.02Å; N118-L124 WeakPolarHBondContact OD1-CD1 3.36Å; L124-R126 PolarHBondContact O-N 3.03Å; L124-R126 VanDerWaalsContact O-N 3.1Å
125A85.4Confident87.1Confident101 Ų10172.4 Ų72.484%0.83534%0.342SS*.EExtended strand (participates in β ladder)trans-60.9-20.8174.700000113.3
126R86.4Confident86.4Confident43 Ų4371.9 Ų71.916%0.16234%0.344CS..EExtended strand (participates in β ladder)trans-84.8143.1-179.2-59.6-179.476.7157.818110.5N16 R91 S92 W116 L124N16-R126 PolarHBondContact OD1-NE 3.07Å; N16-R126 PolarHBondContact OD1-NH2 3.3Å; R91-R126 PolarHBondContact O-NH1 2.89Å; S92-R126 PolarHBondContact OG-NH2 3.24Å; W116-R126 VanDerWaalsContact CD1-O 3.29Å; W116-R126 PolarHBondContact N-O 2.75Å; L124-R126 PolarHBondContact O-N 3.03Å; L124-R126 VanDerWaalsContact O-N 3.1Å
127R90.9Very high85.1Confident134 Ų13479 Ų7951%0.50638%0.376SS..EExtended strand (participates in β ladder)trans-109.4144.4178.7-65.2174.7-178.9169.42.1111.8N16 G113 N114 H115 V129N16-R127 WeakPolarHBondContact CB-O 3.39Å; N16-R127 PolarHBondContact ND2-N 3.28Å; N16-R127 PolarHBondContact ND2-O 2.99Å; G113-R127 WeakPolarHBondContact O-CD 3.41Å; N114-R127 CarbonylContact O-C 3.59Å; N114-R127 WeakPolarHBondContact O-CA 3.41Å; N114-R127 WeakPolarHBondContact O-CB 3.35Å; H115-R127 PolarHBondContact CE1-NE 3.13Å; H115-R127 PolarHBondContact NE2-NE 2.92Å; H115-R127 PolarHBondContact NE2-NH2 3.07Å; R127-V129 PolarHBondContact O-N 3.3Å
128C92.1Very high83.6Confident0 Ų085.1 Ų85.10%041%0.409CS..  trans-66.3121.9171.2-178.20000109.5Y29 Y111 G113 N114 W116Y29-C128 HydrophobicContact CE1-CB 4.45Å; Y111-C128 WeakPolarHBondContact O-CB 3.14Å; G113-C128 PolarHBondContact N-O 3.48Å; N114-C128 PolarHBondContact O-N 2.98Å; W116-C128 HydrophobicContact CD2-CB 4.26Å; W116-C128 HydrophobicContact CE3-CB 4.5Å; W116-C128 HydrophobicContact CH2-CB 3.93Å; W116-C128 HydrophobicContact CZ2-CB 3.63Å; W116-C128 HydrophobicContact CZ3-CB 4.35Å
129V91.8Very high82Confident48 Ų4892.2 Ų92.229%0.29144%0.438SS..EExtended strand (participates in β ladder)trans-114.4118.8177.6176.90000108.6I14 S15 N16 R127 R131I14-V129 WeakPolarHBondContact CA-O 3.3Å; S15-V129 PolarHBondContact N-O 3.11Å; S15-V129 PolarHBondContact O-N 2.85Å; S15-V129 VanDerWaalsContact OG-CB 3.27Å; S15-V129 WeakPolarHBondContact OG-CB 3.49Å; S15-V129 VanDerWaalsContact OG-CG1 3.3Å; S15-V129 WeakPolarHBondContact OG-CG1 3.36Å; S15-V129 PolarHBondContact OG-O 3.17Å; N16-V129 HydrophobicContact CB-CG2 4.32Å; R127-V129 PolarHBondContact O-N 3.3Å; V129-R131 HydrophobicContact CG1-CG 4.35Å
130I93.3Very high80.6Confident19 Ų1991.4 Ų91.410%0.09744%0.44CS..EExtended strand (participates in β ladder)trans-113.8124.5-178.8-55.6170.1000108.1L12 A13 I14 F107 I108 A112L12-I130 HydrophobicContact CB-CG2 4.16Å; L12-I130 HydrophobicContact CD1-CG2 4.18Å; A13-I130 CarbonylContact O-C 3.6Å; A13-I130 WeakPolarHBondContact O-CA 3.43Å; I14-I130 HydrophobicContact CG1-CG1 4.47Å; F107-I130 HydrophobicContact CD1-CD1 4.09Å; F107-I130 HydrophobicContact CD1-CG2 4.36Å; F107-I130 HydrophobicContact CE1-CD1 3.58Å; F107-I130 HydrophobicContact CE1-CG1 4.3Å; F107-I130 HydrophobicContact CE1-CG2 4.05Å; F107-I130 HydrophobicContact CZ-CD1 3.93Å; I108-I130 HydrophobicContact CG1-CG2 4.09Å; A112-I130 HydrophobicContact CB-CB 4.26Å; A112-I130 HydrophobicContact CB-CD1 4.19Å; A112-I130 HydrophobicContact CB-CG1 4.42Å
131R90.2Very high79Confident158 Ų15892.9 Ų92.960%0.59645%0.45SS*.EExtended strand (participates in β ladder)trans-122.2137.5177.9-68.1-176.3177.4140.3-2.2110.6L12 A13 V129L12-R131 CarbonylContact C-O 3.57Å; L12-R131 WeakPolarHBondContact CA-O 3.27Å; A13-R131 PolarHBondContact N-O 3.05Å; A13-R131 PolarHBondContact O-N 3.37Å; V129-R131 HydrophobicContact CG1-CG 4.35Å
132R90.3Very high77.7Confident147 Ų14795.7 Ų95.756%0.55548%0.478SS*.EExtended strand (participates in β ladder)trans-80129.7174.7-172.5172.3178167.9-0.4110.6V10 L12 E105V10-R132 HydrophobicContact CG1-CG 4.05Å; L12-R132 HydrophobicContact CD2-CB 3.94Å; L12-R132 HydrophobicContact CD2-CG 4.05Å; E105-R132 IonicContact OE1-NH1 3.97Å
133I86.4Confident76.2Confident25 Ų2594.4 Ų94.413%0.12848%0.478CS..PPolyproline II helixtrans-85.6130.5177.1-56.7174.6000108.3Y11 A13 I96 V135 F162Y11-I133 PolarHBondContact O-N 3.48Å; A13-I133 HydrophobicContact CB-CD1 4.16Å; A13-I133 HydrophobicContact CB-CG1 4.18Å; I96-I133 HydrophobicContact CD1-CD1 4.44Å; I96-I133 HydrophobicContact CG1-CD1 4.13Å; I96-I133 HydrophobicContact CG2-CD1 3.86Å; I133-V135 HydrophobicContact CG2-CG2 4.47Å; I133-F162 HydrophobicContact CG2-CB 4.3Å; I133-F162 HydrophobicContact CG2-CD2 3.8Å; I133-F162 HydrophobicContact CG2-CG 4.28Å
134R82.9Confident74.7Confident208 Ų20897.7 Ų97.779%0.78550%0.495SS*.PPolyproline II helixtrans-86.5118.9172.7-65.8-176179.6-1760.2108.7
135V80.1Confident73.9Confident38 Ų38101.2 Ų101.223%0.2352%0.52CS..EExtended strand (participates in β ladder)trans-102.9124.2177.3-174.40000108.8Y11 I133 F162 E164 L167Y11-V135 HydrophobicContact CD2-CG2 3.64Å; Y11-V135 HydrophobicContact CE2-CG2 4.16Å; I133-V135 HydrophobicContact CG2-CG2 4.47Å; V135-F162 WeakPolarHBondContact CA-O 3.33Å; V135-E164 HydrophobicContact CG1-CB 4.07Å; V135-L167 HydrophobicContact CG2-CD1 3.52Å
136S74.9Confident72.5Confident33 Ų33106.6 Ų106.623%0.23152%0.521CS..EExtended strand (participates in β ladder)trans-86.7124.3170.354.50000109.3D138 F162S136-D138 VanDerWaalsContact C-N 3.25Å; S136-F162 PolarHBondContact N-O 3.4Å; S136-F162 PolarHBondContact OG-O 3.43Å
137H63.7Low71.6Confident149 Ų149108.3 Ų108.369%0.6953%0.529SS*.  trans-81.8-3.7172.5-75.5-72.6000113.2K139 E164H137-K139 PolarHBondContact O-N 2.88Å; H137-E164 IonicContact CE1-OE2 3.31Å; H137-E164 IonicContact ND1-OE2 2.86Å
138D57.7Low70.8Confident130 Ų130105.5 Ų105.570%0.69553%0.527SS*.  trans-66.9108.5178.2-71.9-21000109.8S136 G140S136-D138 VanDerWaalsContact C-N 3.25Å; D138-G140 PolarHBondContact O-N 3.17Å
139K54.1Low70Confident197 Ų197113.8 Ų113.886%0.85756%0.563SS**  trans-61.295.6156.7-70.2-175.6179.6178.90105.5H137 E141H137-K139 PolarHBondContact O-N 2.88Å; K139-E141 PolarHBondContact O-N 3.44Å
140G50.7Low68.8Low52 Ų52118.9 Ų118.954%0.53658%0.578SS.*  trans-46.799.8-174.500000111.9D138 G142 S143D138-G140 PolarHBondContact O-N 3.17Å; G140-G142 PolarHBondContact O-N 2.97Å; G140-S143 PolarHBondContact O-N 2.92Å
141E47.3Very low67.5Low209 Ų209122.4 Ų122.498%0.97759%0.594SS**THydrogen-bonded Turntrans-70.45.3-179-137.1165.8-159.200111.8K139K139-E141 PolarHBondContact O-N 3.44Å
142G54.3Low66.4Low69 Ų69121.1 Ų121.171%0.71160%0.595SS**THydrogen-bonded Turntrans-125.910178.400000115.5G140 F144G140-G142 PolarHBondContact O-N 2.97Å; G142-F144 PolarHBondContact O-N 3.4Å
143S54.7Low65.1Low75 Ų75123.9 Ų123.952%0.52461%0.605SS.*  trans-79.6115.2176.988.60000110.4G140G140-S143 PolarHBondContact O-N 2.92Å
144F56Low63.8Low174 Ų174127 Ų12776%0.76362%0.619SS**  trans-52.5133175.3-85.6-92000110.6G142 Y146G142-F144 PolarHBondContact O-N 3.4Å; F144-Y146 PolarHBondContact O-N 3.48Å; F144-Y146 VanDerWaalsContact O-N 3.11Å
145P67.8Low62.4Low117 Ų117120.7 Ų120.776%0.7660%0.598SS**SBendtrans-67-15.6-17122.6-31.8000114.2
146Y56.8Low61.2Low214 Ų214122.2 Ų122.284%0.83961%0.608SS**  trans-103.9104.2176.1-72.7-84.6000110.2F144F144-Y146 PolarHBondContact O-N 3.48Å; F144-Y146 VanDerWaalsContact O-N 3.11Å
147K67.4Low60.1Low79 Ų79123.8 Ų123.834%0.34362%0.619SS.*  trans-96.6137.2167.9-65.4-177-178.4-178.20109.4E151 Q152 H155K147-E151 HydrophobicContact CB-CB 4.47Å; K147-Q152 HydrophobicContact CB-CG 3.9Å; K147-H155 PolarHBondContact NZ-CD2 3.17Å; K147-H155 PolarHBondContact NZ-NE2 3.35Å
148T75.4Confident59.3Low75 Ų75124.9 Ų124.946%0.4662%0.622SS.*  trans-65.8155.7174.1630000110.8Y150 E151 Q152T148-Y150 PolarHBondContact O-N 3.4Å; T148-Y150 VanDerWaalsContact O-N 3.12Å; T148-E151 PolarHBondContact N-OE2 3.01Å; T148-E151 PolarHBondContact O-N 3.13Å; T148-E151 VanDerWaalsContact O-N 3.14Å; T148-E151 WeakPolarHBondContact OG1-CB 3.41Å; T148-E151 WeakPolarHBondContact OG1-CG 3.25Å; T148-E151 PolarHBondContact OG1-N 3.41Å; T148-E151 PolarHBondContact OG1-OE2 3.1Å; T148-Q152 WeakPolarHBondContact O-CG 3.47Å; T148-Q152 PolarHBondContact O-N 3.16Å
149K73.4Confident59.2Low173 Ų173122.6 Ų122.675%0.75261%0.613SS**Hα-helixtrans-56.8-28.1175.4-73.6-176.2179.31770112.5R153K149-R153 VanDerWaalsContact O-CG 3.3Å; K149-R153 WeakPolarHBondContact O-CG 3.24Å; K149-R153 PolarHBondContact O-N 3.48Å
150Y67.1Low59.5Low155 Ų155121.6 Ų121.661%0.60861%0.611SS**Hα-helixtrans-73.5-48.6176.2-178.4-97.4000111.4T148 Q152 R153 H154T148-Y150 PolarHBondContact O-N 3.4Å; T148-Y150 VanDerWaalsContact O-N 3.12Å; Y150-Q152 VanDerWaalsContact C-N 3.3Å; Y150-Q152 PolarHBondContact O-N 3.1Å; Y150-R153 CarbonylContact O-C 3.59Å; Y150-R153 WeakPolarHBondContact O-CA 3.42Å; Y150-R153 PolarHBondContact O-N 3.35Å; Y150-H154 AromaticContact CD2-CD2 3.63Å; Y150-H154 HydrophobicContact CE1-CB 4.42Å; Y150-H154 AromaticContact CE2-CD2 3.36Å; Y150-H154 WeakPolarHBondContact CE2-CD2 3.36Å; Y150-H154 AromaticContact CE2-NE2 3.71Å; Y150-H154 AromaticContact CZ-CD2 3.67Å; Y150-H154 PolarHBondContact O-CD2 2.99Å; Y150-H154 PolarHBondContact O-N 3.3Å
151E66.8Low60.2Low93 Ų93124.2 Ų124.244%0.43561%0.612SS.*Hα-helixtrans-63.5-33.9175.9-71.7161.9156.700112.4K147 T148 R153 H154 H155K147-E151 HydrophobicContact CB-CB 4.47Å; T148-E151 PolarHBondContact N-OE2 3.01Å; T148-E151 PolarHBondContact O-N 3.13Å; T148-E151 VanDerWaalsContact O-N 3.14Å; T148-E151 WeakPolarHBondContact OG1-CB 3.41Å; T148-E151 WeakPolarHBondContact OG1-CG 3.25Å; T148-E151 PolarHBondContact OG1-N 3.41Å; T148-E151 PolarHBondContact OG1-OE2 3.1Å; E151-R153 VanDerWaalsContact C-N 3.25Å; E151-R153 PolarHBondContact O-N 3.32Å; E151-H154 CarbonylContact O-C 3.58Å; E151-H154 PolarHBondContact O-N 2.99Å; E151-H155 VanDerWaalsContact O-CA 3.24Å; E151-H155 WeakPolarHBondContact O-CA 3.43Å; E151-H155 VanDerWaalsContact O-CB 3.25Å; E151-H155 WeakPolarHBondContact O-CB 3.27Å; E151-H155 PolarHBondContact O-N 2.98Å
152Q66.3Low61.3Low132 Ų132117.2 Ų117.262%0.61758%0.579SS**Hα-helixtrans-63.6-32.2172.3-73.2-179.8-2.200112.7K147 T148 Y150K147-Q152 HydrophobicContact CB-CG 3.9Å; T148-Q152 WeakPolarHBondContact O-CG 3.47Å; T148-Q152 PolarHBondContact O-N 3.16Å; Y150-Q152 VanDerWaalsContact C-N 3.3Å; Y150-Q152 PolarHBondContact O-N 3.1Å
153R62.5Low62.5Low204 Ų204116 Ų11677%0.7756%0.557SS**Hα-helixtrans-83-27.3177.6-70.9174.2-179-173.1-0.7112.8K149 Y150 E151K149-R153 VanDerWaalsContact O-CG 3.3Å; K149-R153 WeakPolarHBondContact O-CG 3.24Å; K149-R153 PolarHBondContact O-N 3.48Å; Y150-R153 CarbonylContact O-C 3.59Å; Y150-R153 WeakPolarHBondContact O-CA 3.42Å; Y150-R153 PolarHBondContact O-N 3.35Å; E151-R153 VanDerWaalsContact C-N 3.25Å; E151-R153 PolarHBondContact O-N 3.32Å
154H58.9Low63.5Low90 Ų90116.9 Ų116.942%0.41755%0.553SS.*Hα-helixtrans-121.316.5-172.4-67.5-75.3000114.8Y150 E151 V156 S157Y150-H154 AromaticContact CD2-CD2 3.63Å; Y150-H154 HydrophobicContact CE1-CB 4.42Å; Y150-H154 AromaticContact CE2-CD2 3.36Å; Y150-H154 WeakPolarHBondContact CE2-CD2 3.36Å; Y150-H154 AromaticContact CE2-NE2 3.71Å; Y150-H154 AromaticContact CZ-CD2 3.67Å; Y150-H154 PolarHBondContact O-CD2 2.99Å; Y150-H154 PolarHBondContact O-N 3.3Å; E151-H154 CarbonylContact O-C 3.58Å; E151-H154 PolarHBondContact O-N 2.99Å; H154-V156 PolarHBondContact O-N 2.76Å; H154-S157 PolarHBondContact O-N 3.38Å; H154-S157 PolarHBondContact O-OG 2.93Å
155H54.6Low64.4Low76 Ų76111 Ų11135%0.35254%0.537SS..THydrogen-bonded Turntrans-52.1-23.3-177.2-168.5-104.2000114.1K147 E151K147-H155 PolarHBondContact NZ-CD2 3.17Å; K147-H155 PolarHBondContact NZ-NE2 3.35Å; E151-H155 VanDerWaalsContact O-CA 3.24Å; E151-H155 WeakPolarHBondContact O-CA 3.43Å; E151-H155 VanDerWaalsContact O-CB 3.25Å; E151-H155 WeakPolarHBondContact O-CB 3.27Å; E151-H155 PolarHBondContact O-N 2.98Å
156V54Low64.9Low71 Ų71106.6 Ų106.643%0.4351%0.507SS..THydrogen-bonded Turntrans-102.2-12-162.6-166.50000113.2H154 F162H154-V156 PolarHBondContact O-N 2.76Å; V156-F162 HydrophobicContact CG1-CD1 4.43Å; V156-F162 HydrophobicContact CG1-CE1 3.82Å
157S51.8Low66.1Low66 Ų6696.4 Ų96.446%0.46247%0.467SS..SBendtrans-86.5-6.9-168.8600000115.7H154H154-S157 PolarHBondContact O-N 3.38Å; H154-S157 PolarHBondContact O-OG 2.93Å
158F47.3Very low66.6Low172 Ų17295.7 Ų95.775%0.75447%0.472SS*.SBendtrans-127-12.5-169.6-81.4-79.2000116.5
159T55.4Low66.8Low82 Ų82101.4 Ų101.450%0.50349%0.485SS..  trans-106.1128.7-179.648.60000111.2L161T159-L161 PolarHBondContact O-N 3.47Å
160E61.2Low67.3Low175 Ų17594.7 Ų94.782%0.81846%0.457SS*.SBendtrans-72.3-0.9178.4-61.4-175.4163.900113.7
161L65.3Low68Low108 Ų10890 Ų9057%0.56545%0.446SS*.  trans-111.3127.3179.2-61.6176000109.9T159T159-L161 PolarHBondContact O-N 3.47Å
162F69.8Low69Low61 Ų6185.8 Ų85.827%0.26843%0.426SS..EExtended strand (participates in β ladder)trans-102.7137.6176.2-69.7-87.3000110.2I133 V135 S136 V156 L167I133-F162 HydrophobicContact CG2-CB 4.3Å; I133-F162 HydrophobicContact CG2-CD2 3.8Å; I133-F162 HydrophobicContact CG2-CG 4.28Å; V135-F162 WeakPolarHBondContact CA-O 3.33Å; S136-F162 PolarHBondContact N-O 3.4Å; S136-F162 PolarHBondContact OG-O 3.43Å; V156-F162 HydrophobicContact CG1-CD1 4.43Å; V156-F162 HydrophobicContact CG1-CE1 3.82Å; F162-L167 HydrophobicContact CB-CD2 4.41Å; F162-L167 HydrophobicContact CB-CG 4.36Å; F162-L167 HydrophobicContact CD1-CD2 4.37Å; F162-L167 HydrophobicContact CG-CD2 4.48Å
163T79.6Confident69.9Low43 Ų4380.6 Ų80.626%0.26440%0.403SS..EExtended strand (participates in β ladder)trans-89.2155166.6710000110.5A165 D166 L167T163-A165 PolarHBondContact O-N 3.09Å; T163-D166 PolarHBondContact N-OD2 3.11Å; T163-D166 WeakPolarHBondContact O-CB 3.41Å; T163-D166 PolarHBondContact O-N 2.74Å; T163-D166 PolarHBondContact OG1-N 3.44Å; T163-D166 PolarHBondContact OG1-OD2 3.09Å; T163-L167 PolarHBondContact O-N 2.82Å
164E76.6Confident71Confident94 Ų9475.4 Ų75.444%0.43939%0.39SS..Hα-helixtrans-59.6-34.4177-172.2176.6-177.400112.2V135 H137 D166 L167 S168V135-E164 HydrophobicContact CG1-CB 4.07Å; H137-E164 IonicContact CE1-OE2 3.31Å; H137-E164 IonicContact ND1-OE2 2.86Å; E164-D166 VanDerWaalsContact C-N 3.31Å; E164-D166 PolarHBondContact O-N 3.47Å; E164-L167 PolarHBondContact O-N 3.12Å; E164-S168 PolarHBondContact O-N 3.02Å; E164-S168 PolarHBondContact O-OG 3.05Å
165A75.3Confident72.4Confident51 Ų5172.6 Ų72.642%0.42138%0.38SS..Hα-helixtrans-68.3-27.3175.800000113.4T163 S168 R169T163-A165 PolarHBondContact O-N 3.09Å; A165-S168 WeakPolarHBondContact CA-OG 3.23Å; A165-S168 PolarHBondContact O-OG 2.97Å; A165-R169 WeakPolarHBondContact O-CD 3.5Å; A165-R169 VanDerWaalsContact O-CG 3.3Å; A165-R169 WeakPolarHBondContact O-CG 3.39Å
166D78.3Confident73.8Confident25 Ų2572.5 Ų72.513%0.13439%0.386CS..Hα-helixtrans-75.6-37.3174.6-65.3-42.2000110.9T163 E164 R169T163-D166 PolarHBondContact N-OD2 3.11Å; T163-D166 WeakPolarHBondContact O-CB 3.41Å; T163-D166 PolarHBondContact O-N 2.74Å; T163-D166 PolarHBondContact OG1-N 3.44Å; T163-D166 PolarHBondContact OG1-OD2 3.09Å; E164-D166 VanDerWaalsContact C-N 3.31Å; E164-D166 PolarHBondContact O-N 3.47Å; D166-R169 PolarHBondContact O-N 3.31Å
167L80.6Confident75.2Confident0 Ų073.6 Ų73.60%040%0.402CS..Hα-helixtrans-67-44.6175.7-66.8175.5000111.4Y11 V135 F162 T163 E164 R169 L170 L173Y11-L167 HydrophobicContact CD1-CD1 4Å; Y11-L167 HydrophobicContact CD2-CD1 3.58Å; Y11-L167 HydrophobicContact CE1-CB 4.49Å; Y11-L167 HydrophobicContact CE1-CD1 4.22Å; Y11-L167 HydrophobicContact CE2-CD1 3.82Å; Y11-L167 HydrophobicContact CG-CD1 3.66Å; V135-L167 HydrophobicContact CG2-CD1 3.52Å; F162-L167 HydrophobicContact CB-CD2 4.41Å; F162-L167 HydrophobicContact CB-CG 4.36Å; F162-L167 HydrophobicContact CD1-CD2 4.37Å; F162-L167 HydrophobicContact CG-CD2 4.48Å; T163-L167 PolarHBondContact O-N 2.82Å; E164-L167 PolarHBondContact O-N 3.12Å; L167-R169 PolarHBondContact O-N 3.07Å; L167-R169 VanDerWaalsContact O-N 3.15Å; L167-L170 HydrophobicContact CD2-CD1 3.99Å; L167-L170 VanDerWaalsContact O-CB 3.28Å; L167-L170 WeakPolarHBondContact O-CB 3.38Å; L167-L170 PolarHBondContact O-N 3.38Å; L167-L173 HydrophobicContact CB-CD1 3.96Å; L167-L173 WeakPolarHBondContact O-CD1 3.34Å
168S77.4Confident76.7Confident64 Ų6473.2 Ų73.245%0.44840%0.395SS..Hα-helixtrans-65.3-18179.766.30000114.1E164 A165 L170 N174E164-S168 PolarHBondContact O-N 3.02Å; E164-S168 PolarHBondContact O-OG 3.05Å; A165-S168 WeakPolarHBondContact CA-OG 3.23Å; A165-S168 PolarHBondContact O-OG 2.97Å; S168-L170 VanDerWaalsContact C-N 3.33Å; S168-N174 PolarHBondContact O-ND2 3.41Å
169R81.1Confident78.5Confident195 Ų19565.8 Ų65.874%0.73636%0.363SS*.THydrogen-bonded Turntrans-80.4-13.9172.8-70.6170.5-171.9-167.52.2113.2A165 D166 L167A165-R169 WeakPolarHBondContact O-CD 3.5Å; A165-R169 VanDerWaalsContact O-CG 3.3Å; A165-R169 WeakPolarHBondContact O-CG 3.39Å; D166-R169 PolarHBondContact O-N 3.31Å; L167-R169 PolarHBondContact O-N 3.07Å; L167-R169 VanDerWaalsContact O-N 3.15Å
170L82.9Confident79.9Confident31 Ų3169.1 Ų69.116%0.16237%0.373CS..SBendtrans-71.1139.2-177.6-66.4174000110.8I96 L167 S168 E172 L173 N174I96-L170 HydrophobicContact CD1-CD1 3.51Å; L167-L170 HydrophobicContact CD2-CD1 3.99Å; L167-L170 VanDerWaalsContact O-CB 3.28Å; L167-L170 WeakPolarHBondContact O-CB 3.38Å; L167-L170 PolarHBondContact O-N 3.38Å; S168-L170 VanDerWaalsContact C-N 3.33Å; L170-E172 PolarHBondContact O-N 3.42Å; L170-L173 PolarHBondContact O-N 3.45Å; L170-N174 PolarHBondContact O-ND2 2.89Å
171P82.3Confident81.2Confident57 Ų5763.2 Ų63.237%0.3735%0.347SS..THydrogen-bonded Turntrans-70-15.6179.328.1-34.8000113.7L173P171-L173 VanDerWaalsContact C-N 3.3Å
172E87Confident82.4Confident4 Ų458.1 Ų58.12%0.01932%0.32CS..THydrogen-bonded Turntrans-77.1-18.7177.8-64.6162.8-136.900112.1H43 R47 C95 I96 L170H43-E172 WeakPolarHBondContact CB-O 3.45Å; R47-E172 VanDerWaalsContact CD-OE1 3.25Å; R47-E172 WeakPolarHBondContact CD-OE1 3.25Å; R47-E172 IonicContact CZ-OE1 3.58Å; R47-E172 IonicContact NH1-OE1 3.7Å; R47-E172 PolarHBondContact NH1-OE1 3.21Å; C95-E172 WeakPolarHBondContact CA-OE2 3.49Å; I96-E172 PolarHBondContact N-OE2 3.33Å; L170-E172 PolarHBondContact O-N 3.42Å
173L86.4Confident83.4Confident24 Ų2456.1 Ų56.113%0.12631%0.312CS..SBendtrans-105.65.5176.7-62.6-179000112.8Y11 I96 L167 L170 P171 P175Y11-L173 HydrophobicContact CD1-CD1 3.94Å; Y11-L173 HydrophobicContact CE1-CD1 3.67Å; I96-L173 HydrophobicContact CG2-CD1 4.48Å; L167-L173 HydrophobicContact CB-CD1 3.96Å; L167-L173 WeakPolarHBondContact O-CD1 3.34Å; L170-L173 PolarHBondContact O-N 3.45Å; P171-L173 VanDerWaalsContact C-N 3.3Å; L173-P175 VanDerWaalsContact C-CD 3.46Å; L173-P175 WeakPolarHBondContact O-CD 3.18Å
174N85.6Confident84Confident95 Ų9554 Ų5451%0.50830%0.299SS..  trans-123.572.3177.7-68.8-64.7000110.5S168 L170S168-N174 PolarHBondContact O-ND2 3.41Å; L170-N174 PolarHBondContact O-ND2 2.89Å
175P87.3Confident84.6Confident30 Ų3049.6 Ų49.620%0.19528%0.279CS..  trans-74.1162.6-179.532.5-35.8000112.3H43 L173 M179 Q180H43-P175 HydrophobicContact CB-CB 4.19Å; L173-P175 VanDerWaalsContact C-CD 3.46Å; L173-P175 WeakPolarHBondContact O-CD 3.18Å; P175-M179 WeakPolarHBondContact CB-O 3.02Å; P175-Q180 WeakPolarHBondContact CG-O 3.35Å
176P85Confident85.4Confident74 Ų7447.2 Ų47.248%0.48126%0.259SS..  trans-61.3147.6175-21.332.9000112.7L178 M179P176-L178 PolarHBondContact O-N 3.12Å; P176-M179 CarbonylContact O-C 3.59Å; P176-M179 PolarHBondContact O-N 2.9Å
177A82.4Confident86Confident94 Ų9447 Ų4778%0.77726%0.259SS*.THydrogen-bonded Turntrans-56.9-25.5-176.500000115.2M179A177-M179 VanDerWaalsContact C-N 3.25Å; A177-M179 PolarHBondContact O-N 3.2Å
178L84.1Confident86.4Confident58 Ų5848.8 Ų48.830%0.30427%0.268SS..THydrogen-bonded Turntrans-69.2-23.4176-171.865000112.8P176 L194 L200 L204P176-L178 PolarHBondContact O-N 3.12Å; L178-L194 HydrophobicContact CD1-CD1 4.06Å; L178-L194 HydrophobicContact CD1-CD2 4.06Å; L178-L194 HydrophobicContact CG-CD1 4.31Å; L178-L194 WeakPolarHBondContact O-CD1 3.5Å; L178-L200 HydrophobicContact CD2-CD1 3.51Å; L178-L200 HydrophobicContact CG-CD1 4.26Å; L178-L204 HydrophobicContact CD2-CD1 4.4Å
179M85.3Confident86.9Confident16 Ų1652.6 Ų52.68%0.07928%0.277CS..SBendtrans-134.671-171.5-59.2169.578.300108.4P175 P176 A177 N181 G182 N183 F191 L208P175-M179 WeakPolarHBondContact CB-O 3.02Å; P176-M179 CarbonylContact O-C 3.59Å; P176-M179 PolarHBondContact O-N 2.9Å; A177-M179 VanDerWaalsContact C-N 3.25Å; A177-M179 PolarHBondContact O-N 3.2Å; M179-N181 PolarHBondContact O-N 2.93Å; M179-N181 VanDerWaalsContact O-N 3.15Å; M179-G182 WeakPolarHBondContact O-CA 3.46Å; M179-G182 PolarHBondContact O-N 3.42Å; M179-N183 VanDerWaalsContact CE-CA 3.42Å; M179-N183 HydrophobicContact CE-CB 3.89Å; M179-F191 HydrophobicContact CE-CE1 3.43Å; M179-F191 VanDerWaalsContact CE-CE1 3.43Å; M179-F191 HydrophobicContact CE-CE2 4.5Å; M179-F191 HydrophobicContact CE-CZ 3.25Å; M179-F191 HydrophobicContact CG-CE1 3.86Å; M179-F191 HydrophobicContact CG-CZ 4.3Å; M179-F191 HydrophobicContact SD-CE1 4.18Å; M179-F191 HydrophobicContact SD-CZ 4.49Å; M179-L208 HydrophobicContact CE-CD1 3.79Å; M179-L208 HydrophobicContact CE-CD2 3.5Å; M179-L208 VanDerWaalsContact CE-CD2 3.5Å; M179-L208 HydrophobicContact CE-CG 4.29Å
180Q83.7Confident87.4Confident153 Ų15346 Ų4672%0.71526%0.258SS*.THydrogen-bonded Turntrans-56.2-34.1-169.9-63.5178.2600112.9P175 G182P175-Q180 WeakPolarHBondContact CG-O 3.35Å; Q180-G182 VanDerWaalsContact C-N 3.34Å
181N89.6Confident87.7Confident51 Ų5144.5 Ų44.527%0.27325%0.25SS..THydrogen-bonded Turntrans-93.110.5178.1-55.552.1000112.6F39 H40 F42 M179 G185F39-N181 PolarHBondContact O-ND2 2.81Å; H40-N181 WeakPolarHBondContact O-CA 3.07Å; H40-N181 PolarHBondContact O-ND2 2.69Å; F42-N181 PolarHBondContact N-O 3.49Å; M179-N181 PolarHBondContact O-N 2.93Å; M179-N181 VanDerWaalsContact O-N 3.15Å; N181-G185 WeakPolarHBondContact O-CA 3.43Å
182G90.3Very high88Confident0 Ų044.1 Ų44.10%025%0.245CC..Hα-helixtrans88.9-179.8179.200000115.1F42 M179 Q180 T186F42-G182 CarbonylContact O-C 3.54Å; F42-G182 WeakPolarHBondContact O-CA 3.5Å; M179-G182 WeakPolarHBondContact O-CA 3.46Å; M179-G182 PolarHBondContact O-N 3.42Å; Q180-G182 VanDerWaalsContact C-N 3.34Å; G182-T186 WeakPolarHBondContact O-CB 3.45Å; G182-T186 PolarHBondContact O-N 3.01Å; G182-T186 PolarHBondContact O-OG1 2.79Å
183N91.4Very high88.1Confident19 Ų1949.9 Ų49.910%0.10227%0.272CS..Hα-helixtrans-74-29.5-174.162.1-13.1000114.1S23 R27 F42 H43 Y44 M179 L208S23-N183 WeakPolarHBondContact CB-ND2 3.35Å; R27-N183 WeakPolarHBondContact CD-O 3.21Å; F42-N183 PolarHBondContact O-N 3.23Å; H43-N183 VanDerWaalsContact CA-OD1 3.24Å; H43-N183 WeakPolarHBondContact CA-OD1 3.34Å; H43-N183 PolarHBondContact ND1-OD1 3.18Å; Y44-N183 PolarHBondContact N-OD1 3.06Å; Y44-N183 PolarHBondContact O-ND2 2.71Å; M179-N183 VanDerWaalsContact CE-CA 3.42Å; M179-N183 HydrophobicContact CE-CB 3.89Å; N183-L208 HydrophobicContact CB-CD2 4.32Å
184V91.3Very high88.3Confident0 Ų050 Ų500%027%0.273CS..Hα-helixtrans-96.8-44176.9179.20000110.1L26 R27 I34 F42 T186L26-V184 HydrophobicContact CB-CG1 4.05Å; L26-V184 HydrophobicContact CB-CG2 4.01Å; L26-V184 HydrophobicContact CD1-CG2 4.4Å; R27-V184 HydrophobicContact CG-CB 4.09Å; R27-V184 HydrophobicContact CG-CG1 3.81Å; R27-V184 HydrophobicContact CG-CG2 4.25Å; I34-V184 HydrophobicContact CD1-CG1 3.83Å; I34-V184 WeakPolarHBondContact CD1-O 3.38Å; F42-V184 HydrophobicContact CB-CB 4.45Å; F42-V184 HydrophobicContact CD1-CB 3.92Å; F42-V184 HydrophobicContact CD1-CG1 3.56Å; F42-V184 HydrophobicContact CD2-CB 4.03Å; F42-V184 HydrophobicContact CD2-CG1 4.45Å; F42-V184 HydrophobicContact CD2-CG2 4.49Å; F42-V184 HydrophobicContact CE1-CB 4.14Å; F42-V184 HydrophobicContact CE1-CG1 3.51Å; F42-V184 HydrophobicContact CE2-CB 4.22Å; F42-V184 HydrophobicContact CE2-CG1 4.39Å; F42-V184 HydrophobicContact CE2-CG2 4.34Å; F42-V184 HydrophobicContact CG-CB 3.87Å; F42-V184 HydrophobicContact CG-CG1 4.06Å; F42-V184 HydrophobicContact CZ-CB 4.28Å; F42-V184 HydrophobicContact CZ-CG1 3.95Å; F42-V184 PolarHBondContact O-N 2.81Å; F42-V184 VanDerWaalsContact O-N 3.11Å; V184-T186 VanDerWaalsContact C-N 3.33Å; V184-T186 PolarHBondContact O-N 3.02Å
185G90.4Very high88.5Confident1 Ų147.8 Ų47.81%0.0126%0.26CS..Hα-helixtrans-74.3-14-170.500000116.2F42 N181F42-G185 PolarHBondContact O-N 2.9Å; F42-G185 VanDerWaalsContact O-N 3.09Å; N181-G185 WeakPolarHBondContact O-CA 3.43Å
186T91.9Very high88.5Confident1 Ų153.9 Ų53.91%0.00629%0.286CS..SBendtrans-76.4127176.5-55.50000110.1G182 V184 V190 F191G182-T186 WeakPolarHBondContact O-CB 3.45Å; G182-T186 PolarHBondContact O-N 3.01Å; G182-T186 PolarHBondContact O-OG1 2.79Å; V184-T186 VanDerWaalsContact C-N 3.33Å; V184-T186 PolarHBondContact O-N 3.02Å; T186-V190 HydrophobicContact CG2-CB 3.83Å; T186-V190 HydrophobicContact CG2-CG1 3.71Å; T186-F191 VanDerWaalsContact CB-CZ 3.5Å; T186-F191 HydrophobicContact CG2-CD2 4.17Å; T186-F191 HydrophobicContact CG2-CE1 4.14Å; T186-F191 HydrophobicContact CG2-CE2 3.7Å; T186-F191 HydrophobicContact CG2-CZ 3.65Å; T186-F191 WeakPolarHBondContact O-CE2 3.15Å
187P90.9Very high88.9Confident21 Ų2153.1 Ų53.114%0.13628%0.282CS..  trans-70.4156.1-178.828.5-34.7000112.6I34 K189 V190 F191I34-P187 HydrophobicContact CG2-CB 4.4Å; P187-K189 PolarHBondContact O-N 3.44Å; P187-V190 HydrophobicContact CG-CB 4.26Å; P187-V190 HydrophobicContact CG-CG2 3.72Å; P187-V190 PolarHBondContact O-N 3.15Å; P187-F191 WeakPolarHBondContact O-CD2 3.42Å; P187-F191 PolarHBondContact O-N 3.1Å
188I88.4Confident89.2Confident37 Ų3754.3 Ų54.319%0.1928%0.283CS..Hα-helixtrans-58.5-38.5-179.2-66.5165.2000110.8E35 V190 F191 L192 L210E35-I188 VanDerWaalsContact OE1-CB 3.29Å; E35-I188 WeakPolarHBondContact OE1-CB 3.48Å; E35-I188 WeakPolarHBondContact OE1-CD1 3.43Å; E35-I188 WeakPolarHBondContact OE1-CG1 3.49Å; E35-I188 PolarHBondContact OE1-N 2.87Å; I188-V190 VanDerWaalsContact C-N 3.29Å; I188-V190 PolarHBondContact O-N 2.83Å; I188-F191 WeakPolarHBondContact O-CB 3.27Å; I188-F191 PolarHBondContact O-N 2.91Å; I188-F191 VanDerWaalsContact O-N 3.07Å; I188-L192 HydrophobicContact CG2-CD1 4Å; I188-L192 HydrophobicContact CG2-CG 4.11Å; I188-L192 WeakPolarHBondContact O-CG 3.16Å; I188-L192 PolarHBondContact O-N 2.72Å; I188-L210 HydrophobicContact CG1-CD2 4.08Å; I188-L210 HydrophobicContact CG2-CD2 4.38Å
189K88.4Confident89.4Confident143 Ų14360.3 Ų60.362%0.62230%0.302SS*.Hα-helixtrans-54.9-41.7178-65.1-180-176.8173.10113.2P187 L192 Q193P187-K189 PolarHBondContact O-N 3.44Å; K189-L192 PolarHBondContact O-N 2.93Å; K189-Q193 WeakPolarHBondContact O-CG 3.34Å; K189-Q193 PolarHBondContact O-N 3.03Å; K189-Q193 VanDerWaalsContact O-N 3.11Å
190V90.4Very high89.5Confident56 Ų5660.1 Ų60.134%0.33930%0.301SS..Hα-helixtrans-68.6-39.9178.8172.30000110.4T186 P187 I188 L192 Q193 L194T186-V190 HydrophobicContact CG2-CB 3.83Å; T186-V190 HydrophobicContact CG2-CG1 3.71Å; P187-V190 HydrophobicContact CG-CB 4.26Å; P187-V190 HydrophobicContact CG-CG2 3.72Å; P187-V190 PolarHBondContact O-N 3.15Å; I188-V190 VanDerWaalsContact C-N 3.29Å; I188-V190 PolarHBondContact O-N 2.83Å; V190-L192 PolarHBondContact O-N 3.2Å; V190-Q193 PolarHBondContact O-N 3.33Å; V190-L194 HydrophobicContact CG1-CD1 4.3Å; V190-L194 WeakPolarHBondContact O-CG 3.43Å; V190-L194 PolarHBondContact O-N 3.24Å
191F89.4Confident89.7Confident0 Ų055.8 Ų55.80%029%0.287CS..Hα-helixtrans-63.4-40.3173.5-69.5-62.8000112.8M179 T186 P187 I188 Q193 L194 I195 L200 L208 L210M179-F191 HydrophobicContact CE-CE1 3.43Å; M179-F191 VanDerWaalsContact CE-CE1 3.43Å; M179-F191 HydrophobicContact CE-CE2 4.5Å; M179-F191 HydrophobicContact CE-CZ 3.25Å; M179-F191 HydrophobicContact CG-CE1 3.86Å; M179-F191 HydrophobicContact CG-CZ 4.3Å; M179-F191 HydrophobicContact SD-CE1 4.18Å; M179-F191 HydrophobicContact SD-CZ 4.49Å; T186-F191 VanDerWaalsContact CB-CZ 3.5Å; T186-F191 HydrophobicContact CG2-CD2 4.17Å; T186-F191 HydrophobicContact CG2-CE1 4.14Å; T186-F191 HydrophobicContact CG2-CE2 3.7Å; T186-F191 HydrophobicContact CG2-CZ 3.65Å; T186-F191 WeakPolarHBondContact O-CE2 3.15Å; P187-F191 WeakPolarHBondContact O-CD2 3.42Å; P187-F191 PolarHBondContact O-N 3.1Å; I188-F191 WeakPolarHBondContact O-CB 3.27Å; I188-F191 PolarHBondContact O-N 2.91Å; I188-F191 VanDerWaalsContact O-N 3.07Å; F191-Q193 VanDerWaalsContact C-N 3.33Å; F191-Q193 PolarHBondContact O-N 3.44Å; F191-L194 PolarHBondContact O-N 3.48Å; F191-I195 WeakPolarHBondContact O-CD1 3.44Å; F191-I195 WeakPolarHBondContact O-CG1 3.49Å; F191-I195 PolarHBondContact O-N 2.94Å; F191-L200 HydrophobicContact CD1-CD2 4.11Å; F191-L208 HydrophobicContact CD1-CD1 4.14Å; F191-L208 HydrophobicContact CE1-CD1 3.71Å; F191-L208 HydrophobicContact CZ-CD1 4.02Å; F191-L210 HydrophobicContact CB-CD1 3.79Å; F191-L210 HydrophobicContact CB-CD2 4.01Å; F191-L210 HydrophobicContact CD1-CD1 4.48Å; F191-L210 HydrophobicContact CD2-CD1 4.45Å; F191-L210 HydrophobicContact CD2-CD2 3.72Å; F191-L210 HydrophobicContact CE2-CD2 4.48Å; F191-L210 HydrophobicContact CG-CD1 4.01Å; F191-L210 HydrophobicContact CG-CD2 4.05Å
192L88Confident89.4Confident50 Ų5058.1 Ų58.126%0.26231%0.305SS..Hα-helixtrans-60.1-43.3176.2-68.4172.2000111.4I188 K189 V190 L194 I195 Q196 F212I188-L192 HydrophobicContact CG2-CD1 4Å; I188-L192 HydrophobicContact CG2-CG 4.11Å; I188-L192 WeakPolarHBondContact O-CG 3.16Å; I188-L192 PolarHBondContact O-N 2.72Å; K189-L192 PolarHBondContact O-N 2.93Å; V190-L192 PolarHBondContact O-N 3.2Å; L192-L194 PolarHBondContact O-N 2.96Å; L192-I195 PolarHBondContact O-N 3.25Å; L192-Q196 WeakPolarHBondContact O-CB 3.34Å; L192-Q196 VanDerWaalsContact O-CG 3.26Å; L192-Q196 WeakPolarHBondContact O-CG 3.29Å; L192-Q196 PolarHBondContact O-N 3.15Å; L192-F212 HydrophobicContact CD2-CD1 3.54Å; L192-F212 HydrophobicContact CD2-CE1 3.62Å
193Q90.3Very high89.1Confident124 Ų12468.3 Ų68.358%0.57934%0.343SS*.Hα-helixtrans-63.2-39.8175.3-70.6175-10.100112.5K189 V190 F191 I195 Q196 S197K189-Q193 WeakPolarHBondContact O-CG 3.34Å; K189-Q193 PolarHBondContact O-N 3.03Å; K189-Q193 VanDerWaalsContact O-N 3.11Å; V190-Q193 PolarHBondContact O-N 3.33Å; F191-Q193 VanDerWaalsContact C-N 3.33Å; F191-Q193 PolarHBondContact O-N 3.44Å; Q193-I195 VanDerWaalsContact C-N 3.32Å; Q193-I195 PolarHBondContact O-N 2.98Å; Q193-Q196 PolarHBondContact O-N 3.02Å; Q193-S197 WeakPolarHBondContact O-CB 3.3Å; Q193-S197 PolarHBondContact O-N 2.93Å; Q193-S197 PolarHBondContact O-OG 3.29Å
194L90.6Very high88.8Confident28 Ų2870.5 Ų70.515%0.14735%0.354CS..Hα-helixtrans-67.5-33176-69.6172.1000112.6L178 V190 F191 L192 S197 C198 R199 L200L178-L194 HydrophobicContact CD1-CD1 4.06Å; L178-L194 HydrophobicContact CD1-CD2 4.06Å; L178-L194 HydrophobicContact CG-CD1 4.31Å; L178-L194 WeakPolarHBondContact O-CD1 3.5Å; V190-L194 HydrophobicContact CG1-CD1 4.3Å; V190-L194 WeakPolarHBondContact O-CG 3.43Å; V190-L194 PolarHBondContact O-N 3.24Å; F191-L194 PolarHBondContact O-N 3.48Å; L192-L194 PolarHBondContact O-N 2.96Å; L194-S197 WeakPolarHBondContact CA-OG 3.45Å; L194-S197 PolarHBondContact O-OG 3.29Å; L194-C198 PolarHBondContact O-N 3.18Å; L194-R199 HydrophobicContact CD2-CB 4.21Å; L194-R199 PolarHBondContact O-N 3.43Å; L194-L200 HydrophobicContact CB-CB 4.14Å; L194-L200 PolarHBondContact O-N 3.42Å
195I89Confident88.4Confident48 Ų4872.2 Ų72.225%0.24636%0.363CS..Hα-helixtrans-71.1-47.2174.8-68.4163.2000110.1F191 L192 Q193 S197 C198 L200 I205 L210 F212F191-I195 WeakPolarHBondContact O-CD1 3.44Å; F191-I195 WeakPolarHBondContact O-CG1 3.49Å; F191-I195 PolarHBondContact O-N 2.94Å; L192-I195 PolarHBondContact O-N 3.25Å; Q193-I195 VanDerWaalsContact C-N 3.32Å; Q193-I195 PolarHBondContact O-N 2.98Å; I195-S197 PolarHBondContact O-N 3.3Å; I195-C198 PolarHBondContact O-N 3.32Å; I195-L200 HydrophobicContact CD1-CD2 4.04Å; I195-L200 HydrophobicContact CG1-CB 4.22Å; I195-L200 HydrophobicContact CG1-CD2 3.67Å; I195-I205 HydrophobicContact CD1-CD1 3.97Å; I195-I205 HydrophobicContact CD1-CG1 4.22Å; I195-I205 HydrophobicContact CG1-CD1 3.92Å; I195-I205 HydrophobicContact CG1-CG1 4.39Å; I195-L210 HydrophobicContact CD1-CD1 4.26Å; I195-F212 HydrophobicContact CD1-CE1 3.46Å; I195-F212 VanDerWaalsContact CD1-CE1 3.46Å; I195-F212 HydrophobicContact CD1-CZ 3.5Å
196Q88.6Confident88Confident158 Ų15882.9 Ų82.974%0.73840%0.403SS*.Hα-helixtrans-60.3-32.6177.2-73.5171.9-2.400112.4L192 Q193 C198L192-Q196 WeakPolarHBondContact O-CB 3.34Å; L192-Q196 VanDerWaalsContact O-CG 3.26Å; L192-Q196 WeakPolarHBondContact O-CG 3.29Å; L192-Q196 PolarHBondContact O-N 3.15Å; Q193-Q196 PolarHBondContact O-N 3.02Å; Q196-C198 VanDerWaalsContact C-N 3.32Å
197S92.6Very high87.6Confident58 Ų5890.4 Ų90.441%0.40644%0.435SS..THydrogen-bonded Turntrans-87.55.2174.958.10000114.3Q193 L194 I195 R199Q193-S197 WeakPolarHBondContact O-CB 3.3Å; Q193-S197 PolarHBondContact O-N 2.93Å; Q193-S197 PolarHBondContact O-OG 3.29Å; L194-S197 WeakPolarHBondContact CA-OG 3.45Å; L194-S197 PolarHBondContact O-OG 3.29Å; I195-S197 PolarHBondContact O-N 3.3Å; S197-R199 WeakPolarHBondContact O-CG 3.28Å; S197-R199 PolarHBondContact O-N 2.98Å
198C87.9Confident87.3Confident118 Ų11889.9 Ų89.980%0.79743%0.431SS*.THydrogen-bonded Turntrans55.428-178.4-62.70000114.6L194 I195 Q196L194-C198 PolarHBondContact O-N 3.18Å; I195-C198 PolarHBondContact O-N 3.32Å; Q196-C198 VanDerWaalsContact C-N 3.32Å
199R88.9Confident86.8Confident184 Ų18490.1 Ų90.169%0.69444%0.443SS*.  trans-93.9-10.4-179.4-65.5-177.9-179.8-179.20.3113.6L194 S197L194-R199 HydrophobicContact CD2-CB 4.21Å; L194-R199 PolarHBondContact O-N 3.43Å; S197-R199 WeakPolarHBondContact O-CG 3.28Å; S197-R199 PolarHBondContact O-N 2.98Å
200L87.4Confident86.3Confident12 Ų1284 Ų846%0.06342%0.417CS..SBendtrans-102.7121.3-179.1-172.166.8000111.8L178 F191 L194 I195 L204 I205L178-L200 HydrophobicContact CD2-CD1 3.51Å; L178-L200 HydrophobicContact CG-CD1 4.26Å; F191-L200 HydrophobicContact CD1-CD2 4.11Å; L194-L200 HydrophobicContact CB-CB 4.14Å; L194-L200 PolarHBondContact O-N 3.42Å; I195-L200 HydrophobicContact CD1-CD2 4.04Å; I195-L200 HydrophobicContact CG1-CB 4.22Å; I195-L200 HydrophobicContact CG1-CD2 3.67Å; L200-L204 HydrophobicContact CD1-CB 4.31Å; L200-L204 HydrophobicContact CD1-CD1 4.25Å; L200-I205 HydrophobicContact CD2-CD1 4.44Å; L200-I205 HydrophobicContact CD2-CG1 3.73Å; L200-I205 HydrophobicContact CG-CG1 4.22Å
201P87.3Confident85.2Confident63 Ų6385.8 Ų85.841%0.40943%0.429SS..  trans-59.3133.6174.9-27.133.5000113.6R203 L204P201-R203 PolarHBondContact O-N 2.96Å; P201-R203 VanDerWaalsContact O-N 3.13Å; P201-L204 HydrophobicContact CB-CD1 4.34Å; P201-L204 HydrophobicContact CB-CG 4.29Å; P201-L204 HydrophobicContact CG-CD1 4.14Å; P201-L204 WeakPolarHBondContact O-CB 3.44Å; P201-L204 PolarHBondContact O-N 3.36Å
202P83.3Confident84.1Confident100 Ų10089.5 Ų89.565%0.64945%0.445SS*.Hα-helixtrans-58.2-31.4-177.7-27.634.3000114.9L204 I205P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 3.26Å; P202-I205 WeakPolarHBondContact O-CB 3.46Å; P202-I205 PolarHBondContact O-N 3.11Å
203R84.8Confident82.8Confident214 Ų21492.1 Ų92.181%0.80846%0.464SS*.Hα-helixtrans-64-30.9177-66.2-176.7179.3-179.2-0.4112.6P201P201-R203 PolarHBondContact O-N 2.96Å; P201-R203 VanDerWaalsContact O-N 3.13Å
204L84.8Confident81.1Confident65 Ų6595 Ų9534%0.3448%0.475SS..Hα-helixtrans-74.3-32.8178.1-65.8-178.4000111.3L178 L200 P201 P202 R206 K207 L208L178-L204 HydrophobicContact CD2-CD1 4.4Å; L200-L204 HydrophobicContact CD1-CB 4.31Å; L200-L204 HydrophobicContact CD1-CD1 4.25Å; P201-L204 HydrophobicContact CB-CD1 4.34Å; P201-L204 HydrophobicContact CB-CG 4.29Å; P201-L204 HydrophobicContact CG-CD1 4.14Å; P201-L204 WeakPolarHBondContact O-CB 3.44Å; P201-L204 PolarHBondContact O-N 3.36Å; P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 3.26Å; L204-R206 VanDerWaalsContact C-N 3.34Å; L204-R206 PolarHBondContact O-N 3.42Å; L204-K207 PolarHBondContact O-N 2.89Å; L204-K207 VanDerWaalsContact O-N 3.16Å; L204-L208 WeakPolarHBondContact O-CB 3.13Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.46Å; L204-L208 PolarHBondContact O-N 3.42Å
205I83.3Confident79.3Confident35 Ų3599.5 Ų99.518%0.17950%0.504CS..Hα-helixtrans-56.5-49.3177.2-60.7175.1000110.8I195 L200 P202 K207 L208 G209 L210 F212I195-I205 HydrophobicContact CD1-CD1 3.97Å; I195-I205 HydrophobicContact CD1-CG1 4.22Å; I195-I205 HydrophobicContact CG1-CD1 3.92Å; I195-I205 HydrophobicContact CG1-CG1 4.39Å; L200-I205 HydrophobicContact CD2-CD1 4.44Å; L200-I205 HydrophobicContact CD2-CG1 3.73Å; L200-I205 HydrophobicContact CG-CG1 4.22Å; P202-I205 WeakPolarHBondContact O-CB 3.46Å; P202-I205 PolarHBondContact O-N 3.11Å; I205-K207 VanDerWaalsContact C-N 3.34Å; I205-K207 PolarHBondContact O-N 2.9Å; I205-L208 PolarHBondContact O-N 3.05Å; I205-G209 PolarHBondContact O-N 2.91Å; I205-L210 HydrophobicContact CG2-CD1 4.4Å; I205-F212 HydrophobicContact CG2-CE2 3.47Å; I205-F212 VanDerWaalsContact CG2-CE2 3.47Å; I205-F212 HydrophobicContact CG2-CZ 3.53Å
206R81.4Confident77.3Confident226 Ų226100.5 Ų100.585%0.85352%0.515SS*.Hα-helixtrans-60.9-41.1177.8-65.4-175.4-176.9173.10.3112.3L204 G209L204-R206 VanDerWaalsContact C-N 3.34Å; L204-R206 PolarHBondContact O-N 3.42Å; R206-G209 PolarHBondContact O-N 3.49Å
207K84.7Confident75.4Confident158 Ų15895.1 Ų95.169%0.68750%0.495SS*.Hα-helixtrans-71.9-29.2-179.5-71.7-173175.7-171.30113.8L204 I205 G209L204-K207 PolarHBondContact O-N 2.89Å; L204-K207 VanDerWaalsContact O-N 3.16Å; I205-K207 VanDerWaalsContact C-N 3.34Å; I205-K207 PolarHBondContact O-N 2.9Å; K207-G209 VanDerWaalsContact C-N 3.27Å
208L83.1Confident73.5Confident10 Ų1098.3 Ų98.35%0.05252%0.517CS..Hα-helixtrans-79.8-11.7179.5-69.2170.2000112.9R27 M179 N183 F191 L204 I205 L210R27-L208 PolarHBondContact NH1-O 2.79Å; M179-L208 HydrophobicContact CE-CD1 3.79Å; M179-L208 HydrophobicContact CE-CD2 3.5Å; M179-L208 VanDerWaalsContact CE-CD2 3.5Å; M179-L208 HydrophobicContact CE-CG 4.29Å; N183-L208 HydrophobicContact CB-CD2 4.32Å; F191-L208 HydrophobicContact CD1-CD1 4.14Å; F191-L208 HydrophobicContact CE1-CD1 3.71Å; F191-L208 HydrophobicContact CZ-CD1 4.02Å; L204-L208 WeakPolarHBondContact O-CB 3.13Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.46Å; L204-L208 PolarHBondContact O-N 3.42Å; I205-L208 PolarHBondContact O-N 3.05Å; L208-L210 HydrophobicContact CB-CD1 4.35Å; L208-L210 HydrophobicContact CB-CG 4.07Å; L208-L210 HydrophobicContact CD1-CD1 4.4Å; L208-L210 PolarHBondContact O-N 3.26Å
209G78.2Confident72.4Confident42 Ų42102.2 Ų102.243%0.43352%0.515SS..THydrogen-bonded Turntrans58.538.2-178.800000112.1I205 R206 K207 T211I205-G209 PolarHBondContact O-N 2.91Å; R206-G209 PolarHBondContact O-N 3.49Å; K207-G209 VanDerWaalsContact C-N 3.27Å; G209-T211 PolarHBondContact O-N 2.78Å; G209-T211 VanDerWaalsContact O-N 3.12Å
210L78.3Confident70.9Confident15 Ų15104.2 Ų104.28%0.07952%0.523CS..  trans-65.8110.9177.7-71.9165000109.1I188 F191 I195 I205 L208 F212I188-L210 HydrophobicContact CG1-CD2 4.08Å; I188-L210 HydrophobicContact CG2-CD2 4.38Å; F191-L210 HydrophobicContact CB-CD1 3.79Å; F191-L210 HydrophobicContact CB-CD2 4.01Å; F191-L210 HydrophobicContact CD1-CD1 4.48Å; F191-L210 HydrophobicContact CD2-CD1 4.45Å; F191-L210 HydrophobicContact CD2-CD2 3.72Å; F191-L210 HydrophobicContact CE2-CD2 4.48Å; F191-L210 HydrophobicContact CG-CD1 4.01Å; F191-L210 HydrophobicContact CG-CD2 4.05Å; I195-L210 HydrophobicContact CD1-CD1 4.26Å; I205-L210 HydrophobicContact CG2-CD1 4.4Å; L208-L210 HydrophobicContact CB-CD1 4.35Å; L208-L210 HydrophobicContact CB-CG 4.07Å; L208-L210 HydrophobicContact CD1-CD1 4.4Å; L208-L210 PolarHBondContact O-N 3.26Å; L210-F212 HydrophobicContact CB-CE1 4.23Å; L210-F212 HydrophobicContact CB-CE2 3.87Å; L210-F212 HydrophobicContact CB-CZ 3.66Å; L210-F212 HydrophobicContact CD1-CZ 4.04Å; L210-F212 HydrophobicContact CG-CZ 4.48Å; L210-F212 WeakPolarHBondContact O-CD2 3.23Å; L210-F212 WeakPolarHBondContact O-CE2 3.45Å; L210-F212 PolarHBondContact O-N 3.12Å; L210-F212 VanDerWaalsContact O-N 3.16Å
211T67Low69.6Low94 Ų94113 Ų11358%0.57756%0.557SS**  trans-76.297.7166.3510000107.5G209G209-T211 PolarHBondContact O-N 2.78Å; G209-T211 VanDerWaalsContact O-N 3.12Å
212F65.9Low68.3Low78 Ų78111.9 Ų111.934%0.34256%0.557SS.*  trans-64.7135.9165.3-59-74000106.8L192 I195 I205 L210 K214L192-F212 HydrophobicContact CD2-CD1 3.54Å; L192-F212 HydrophobicContact CD2-CE1 3.62Å; I195-F212 HydrophobicContact CD1-CE1 3.46Å; I195-F212 VanDerWaalsContact CD1-CE1 3.46Å; I195-F212 HydrophobicContact CD1-CZ 3.5Å; I205-F212 HydrophobicContact CG2-CE2 3.47Å; I205-F212 VanDerWaalsContact CG2-CE2 3.47Å; I205-F212 HydrophobicContact CG2-CZ 3.53Å; L210-F212 HydrophobicContact CB-CE1 4.23Å; L210-F212 HydrophobicContact CB-CE2 3.87Å; L210-F212 HydrophobicContact CB-CZ 3.66Å; L210-F212 HydrophobicContact CD1-CZ 4.04Å; L210-F212 HydrophobicContact CG-CZ 4.48Å; L210-F212 WeakPolarHBondContact O-CD2 3.23Å; L210-F212 WeakPolarHBondContact O-CE2 3.45Å; L210-F212 PolarHBondContact O-N 3.12Å; L210-F212 VanDerWaalsContact O-N 3.16Å; F212-K214 VanDerWaalsContact C-N 3.3Å; F212-K214 PolarHBondContact O-N 3.31Å
213P62Low67.3Low104 Ų104111.7 Ų111.768%0.67555%0.55SS**  trans-51.3111.7160.8-4.614.5000103.9T215P213-T215 PolarHBondContact O-N 2.93Å
214K53.6Low66.3Low185 Ų185106 Ų10680%0.80454%0.539SS*.  trans-51.1122.4171.2-70.5-177.4178.2-177.20102.6F212 S216F212-K214 VanDerWaalsContact C-N 3.3Å; F212-K214 PolarHBondContact O-N 3.31Å; K214-S216 PolarHBondContact O-N 3.48Å
215T52.7Low65.1Low122 Ų122107.8 Ų107.875%0.74856%0.555SS**  trans-61.178.1158.339.30000104.5P213 S217P213-T215 PolarHBondContact O-N 2.93Å; T215-S217 VanDerWaalsContact C-N 3.29Å; T215-S217 PolarHBondContact O-N 2.67Å
216S47.1Very low64Low69 Ų69113.3 Ų113.348%0.48358%0.578SS.*  trans-68.498.2-178.841.80000104.6K214 N223K214-S216 PolarHBondContact O-N 3.48Å; S216-N223 PolarHBondContact O-OD1 3.16Å
217S48.8Very low63.2Low45 Ų45109.9 Ų109.932%0.31557%0.571SS.*  trans65.7132.2-166.993.50000114.6T215 R219 G222T215-S217 VanDerWaalsContact C-N 3.29Å; T215-S217 PolarHBondContact O-N 2.67Å; S217-R219 PolarHBondContact O-N 2.84Å; S217-R219 WeakPolarHBondContact OG-CB 3.22Å; S217-R219 PolarHBondContact OG-N 2.8Å; S217-R219 PolarHBondContact OG-O 3.01Å; S217-G222 WeakPolarHBondContact OG-CA 3.33Å
218S53.8Low62.5Low125 Ų125109.6 Ų109.687%0.87457%0.567SS**SBendtrans-68.50.3158.260.60000112.1
219R63.3Low60.8Low200 Ų200117.4 Ų117.476%0.75560%0.602SS**SBendtrans-75.9133.9-177.5-59.2-179.6174.6174.7-1.1108.7S217 Y221 G222S217-R219 PolarHBondContact O-N 2.84Å; S217-R219 WeakPolarHBondContact OG-CB 3.22Å; S217-R219 PolarHBondContact OG-N 2.8Å; S217-R219 PolarHBondContact OG-O 3.01Å; R219-Y221 PolarHBondContact O-N 3.35Å; R219-G222 PolarHBondContact O-N 2.96Å; R219-G222 VanDerWaalsContact O-N 3.09Å
220R58.2Low60Low227 Ų227123.6 Ų123.686%0.85763%0.626SS**THydrogen-bonded Turntrans-51.8-21.9-176.1-71.6-178.7-119.8-176.90.1114.6
221Y60.7Low59.1Low196 Ų196127 Ų12777%0.76965%0.647SS**THydrogen-bonded Turntrans-107.8-10.3-175.5-56.6-70.8000115R219 N223R219-Y221 PolarHBondContact O-N 3.35Å; Y221-N223 VanDerWaalsContact C-N 3.27Å; Y221-N223 PolarHBondContact O-N 3.41Å
222G60.3Low58.2Low40 Ų40127.4 Ų127.441%0.41265%0.653SS.*THydrogen-bonded Turntrans-76.3-12.6-178.300000114.8S217 R219S217-G222 WeakPolarHBondContact OG-CA 3.33Å; R219-G222 PolarHBondContact O-N 2.96Å; R219-G222 VanDerWaalsContact O-N 3.09Å
223N60.7Low57.8Low96 Ų96129.7 Ų129.751%0.51367%0.673SS.*THydrogen-bonded Turntrans-10611.4178.9-66.3-39.1000113.3S216 Y221 P225S216-N223 PolarHBondContact O-OD1 3.16Å; Y221-N223 VanDerWaalsContact C-N 3.27Å; Y221-N223 PolarHBondContact O-N 3.41Å; N223-P225 WeakPolarHBondContact O-CD 3.46Å
224V64.1Low57.3Low95 Ų95131 Ų13158%0.57667%0.673SS**SBendtrans-80.3118.5175.3-177.80000107.9F226V224-F226 PolarHBondContact O-N 3.24Å
225P60.7Low57.3Low102 Ų102126.5 Ų126.566%0.66266%0.663SS**  trans-57.8116.3176.2-22.934.2000110.1N223 H227N223-P225 WeakPolarHBondContact O-CD 3.46Å; P225-H227 PolarHBondContact O-N 3.4Å
226F60.5Low57.4Low151 Ų151124.3 Ų124.366%0.66266%0.658SS**  trans-83.5114.4176.5-163.4-97.4000109.1V224 Y228V224-F226 PolarHBondContact O-N 3.24Å; F226-Y228 HydrophobicContact CB-CE2 4.49Å; F226-Y228 AromaticContact CD1-CD1 3.88Å; F226-Y228 HydrophobicContact CD1-CD1 3.88Å; F226-Y228 HydrophobicContact CD1-CD2 4.08Å; F226-Y228 AromaticContact CD1-CE1 3.85Å; F226-Y228 HydrophobicContact CD1-CE1 3.85Å; F226-Y228 HydrophobicContact CD1-CE2 4.05Å; F226-Y228 AromaticContact CD1-CG 3.99Å; F226-Y228 HydrophobicContact CD1-CG 3.99Å; F226-Y228 AromaticContact CD1-CZ 3.93Å; F226-Y228 AromaticContact CE1-CD1 3.99Å; F226-Y228 HydrophobicContact CE1-CD1 3.99Å; F226-Y228 HydrophobicContact CE1-CE1 4.12Å; F226-Y228 HydrophobicContact CE1-CG 4.4Å; F226-Y228 PolarHBondContact O-N 2.91Å
227H64.6Low57.9Low153 Ų153124.1 Ų124.171%0.70865%0.654SS**  trans-8197.5173.3-70.4-67.6000108.9P225 H229P225-H227 PolarHBondContact O-N 3.4Å; H227-H229 PolarHBondContact O-N 3.42Å
228Y70.2Confident58.5Low153 Ų153125.5 Ų125.560%0.666%0.655SS**  trans-65.1129.1173.1-66.3-90.4000109.6F226 N230 T231F226-Y228 HydrophobicContact CB-CE2 4.49Å; F226-Y228 AromaticContact CD1-CD1 3.88Å; F226-Y228 HydrophobicContact CD1-CD1 3.88Å; F226-Y228 HydrophobicContact CD1-CD2 4.08Å; F226-Y228 AromaticContact CD1-CE1 3.85Å; F226-Y228 HydrophobicContact CD1-CE1 3.85Å; F226-Y228 HydrophobicContact CD1-CE2 4.05Å; F226-Y228 AromaticContact CD1-CG 3.99Å; F226-Y228 HydrophobicContact CD1-CG 3.99Å; F226-Y228 AromaticContact CD1-CZ 3.93Å; F226-Y228 AromaticContact CE1-CD1 3.99Å; F226-Y228 HydrophobicContact CE1-CD1 3.99Å; F226-Y228 HydrophobicContact CE1-CE1 4.12Å; F226-Y228 HydrophobicContact CE1-CG 4.4Å; F226-Y228 PolarHBondContact O-N 2.91Å; Y228-N230 PolarHBondContact O-N 3.07Å; Y228-T231 WeakPolarHBondContact CB-OG1 3.15Å; Y228-T231 HydrophobicContact CD2-CG2 4.48Å; Y228-T231 HydrophobicContact CG-CG2 4.3Å; Y228-T231 PolarHBondContact O-N 3.28Å; Y228-T231 PolarHBondContact O-OG1 3.18Å
229H46.5Very low58.9Low173 Ų173126.3 Ų126.380%0.80165%0.645SS**THydrogen-bonded Turntrans-55.9125.5168.9-62.9-64.8000108.7H227H227-H229 PolarHBondContact O-N 3.42Å
230N61.7Low59.2Low173 Ų173118.6 Ų118.693%0.92562%0.62SS**THydrogen-bonded Turntrans80.79.8-174.3-45.7-37.9000117.3Y228Y228-N230 PolarHBondContact O-N 3.07Å
231T58.1Low60.1Low87 Ų87107.9 Ų107.953%0.53458%0.58SS.*  trans-93.7118.316857.80000111.1Y228Y228-T231 WeakPolarHBondContact CB-OG1 3.15Å; Y228-T231 HydrophobicContact CD2-CG2 4.48Å; Y228-T231 HydrophobicContact CG-CG2 4.3Å; Y228-T231 PolarHBondContact O-N 3.28Å; Y228-T231 PolarHBondContact O-OG1 3.18Å
232C48.9Very low61.1Low102 Ų102101.3 Ų101.369%0.68956%0.558SS**  trans-93.1119.4168.2-174.80000107.9L234C232-L234 PolarHBondContact O-N 2.7Å
233T56.6Low62.1Low126 Ų12699.6 Ų99.677%0.77354%0.54SS*.  trans-70.7100.4167.742.10000107.5
234L53.3Low62.9Low130 Ų13097.3 Ų97.368%0.68153%0.534SS*.  trans-65.5127.8174.7-63.7179.8000107.8C232 A236C232-L234 PolarHBondContact O-N 2.7Å; L234-A236 PolarHBondContact O-N 3.45Å
235P53.2Low63.3Low91 Ų9195.4 Ų95.459%0.59153%0.528SS*.  trans-56142.5169.221.9-28.7000108.1T237P235-T237 HydrophobicContact CB-CG2 4.29Å; P235-T237 HydrophobicContact CG-CG2 3.98Å; P235-T237 PolarHBondContact O-N 3.35Å; P235-T237 PolarHBondContact O-OG1 3.31Å
236A53.8Low63.9Low77 Ų7793 Ų9364%0.63652%0.521SS*.  trans-65.676.6172.900000109.1L234L234-A236 PolarHBondContact O-N 3.45Å
237T57.8Low64.8Low64 Ų6489 Ų8939%0.39351%0.505SS..  trans-78.8155.2176.247.20000108.8P235 E239 T240P235-T237 HydrophobicContact CB-CG2 4.29Å; P235-T237 HydrophobicContact CG-CG2 3.98Å; P235-T237 PolarHBondContact O-N 3.35Å; P235-T237 PolarHBondContact O-OG1 3.31Å; T237-E239 PolarHBondContact O-N 3.4Å; T237-T240 PolarHBondContact O-N 2.89Å
238E62.5Low65.5Low75 Ų7587.3 Ų87.335%0.3550%0.497SS..THydrogen-bonded Turntrans-61.3-8.2-177.8-55.9-177.2167.200113.6R106 R109R106-E238 WeakPolarHBondContact CD-OE1 3.42Å; R106-E238 IonicContact NE-OE1 3.07Å; R106-E238 PolarHBondContact NE-OE1 2.79Å; R109-E238 IonicContact NH1-OE2 3.04Å; R109-E238 PolarHBondContact NH1-OE2 2.82Å
239E60.2Low65.9Low141 Ų14180 Ų8066%0.65947%0.469SS*.THydrogen-bonded Turntrans-89.7-26.6-175-59.7-176.8171.100113.1T237T237-E239 PolarHBondContact O-N 3.4Å
240T69.7Low66.7Low38 Ų3873.1 Ų73.123%0.23344%0.44CS..SBendtrans-114.282.7179.250.70000110.8Q32 T237 L242Q32-T240 PolarHBondContact NE2-O 2.83Å; Q32-T240 VanDerWaalsContact NE2-O 3.12Å; T237-T240 PolarHBondContact O-N 2.89Å; T240-L242 PolarHBondContact O-N 3.28Å
241V78.9Confident66.3Low2 Ų265.7 Ų65.71%0.01240%0.404CS..  trans-76.7112.5177.5-175.40000109.2M110 Y111 V249M110-V241 HydrophobicContact CB-CG2 3.93Å; M110-V241 HydrophobicContact CE-CG1 4.5Å; M110-V241 HydrophobicContact CE-CG2 3.92Å; M110-V241 HydrophobicContact CG-CG2 4.18Å; M110-V241 WeakPolarHBondContact O-CG2 3.29Å; Y111-V241 HydrophobicContact CD1-CG1 4.04Å; Y111-V241 HydrophobicContact CE1-CG1 3.41Å; Y111-V241 VanDerWaalsContact CE1-CG1 3.41Å; V241-V249 HydrophobicContact CB-CB 4.14Å; V241-V249 HydrophobicContact CG1-CB 3.92Å; V241-V249 HydrophobicContact CG1-CG1 4.34Å; V241-V249 HydrophobicContact CG1-CG2 4.16Å; V241-V249 WeakPolarHBondContact O-CB 3.43Å; V241-V249 PolarHBondContact O-N 2.83Å
242L81.4Confident65.6Low58 Ų5868 Ų6830%0.30442%0.421SS..BIsolated β-bridgetrans-108.2141.8179.4-58.9170.8000110.2S31 Q32 T240 H247 E248S31-L242 PolarHBondContact OG-O 3.21Å; Q32-L242 WeakPolarHBondContact CG-O 3.34Å; T240-L242 PolarHBondContact O-N 3.28Å; L242-H247 CarbonylContact C-O 3.44Å; L242-H247 WeakPolarHBondContact CA-O 3.41Å; L242-E248 HydrophobicContact CD2-CB 4.3Å; L242-E248 HydrophobicContact CD2-CG 3.44Å; L242-E248 VanDerWaalsContact CD2-CG 3.44Å
243T81.1Confident65.4Low5 Ų566.8 Ų66.83%0.03143%0.425CS..  trans-70.9158.9169.2-55.30000109.4N28 A245 G246 H247 V249N28-T243 HydrophobicContact CB-CG2 4.21Å; N28-T243 WeakPolarHBondContact ND2-CG2 3.5Å; N28-T243 CarbonylContact O-C 3.44Å; N28-T243 WeakPolarHBondContact O-CA 3.41Å; N28-T243 VanDerWaalsContact O-CG2 3.3Å; N28-T243 WeakPolarHBondContact O-CG2 3.24Å; N28-T243 WeakPolarHBondContact OD1-CG2 3.28Å; T243-A245 PolarHBondContact O-N 3.21Å; T243-A245 VanDerWaalsContact O-N 3.13Å; T243-G246 PolarHBondContact O-N 3.27Å; T243-H247 VanDerWaalsContact CB-O 3.29Å; T243-H247 WeakPolarHBondContact CB-O 3.38Å; T243-H247 PolarHBondContact N-O 3.13Å; T243-H247 PolarHBondContact OG1-O 3.42Å; T243-V249 WeakPolarHBondContact OG1-CG2 2.86Å
244A76.5Confident64.7Low48 Ų4865.2 Ų65.240%0.39742%0.419SS..THydrogen-bonded Turntrans-57.8-29.117700000113.1N28 S31 G246N28-A244 PolarHBondContact O-N 3.39Å; N28-A244 VanDerWaalsContact OD1-CB 3.24Å; N28-A244 WeakPolarHBondContact OD1-CB 3.44Å; N28-A244 PolarHBondContact OD1-N 2.77Å; S31-A244 PolarHBondContact OG-N 3.12Å; S31-A244 VanDerWaalsContact OG-N 3.11Å; A244-G246 VanDerWaalsContact C-N 3.25Å; A244-G246 PolarHBondContact O-N 3.12Å
245A72.9Confident63.9Low55 Ų5565.3 Ų65.346%0.45542%0.42SS..THydrogen-bonded Turntrans-78.73.517300000114.8N28 T243N28-A245 PolarHBondContact OD1-N 2.87Å; T243-A245 PolarHBondContact O-N 3.21Å; T243-A245 VanDerWaalsContact O-N 3.13Å
246G73.9Confident63Low50 Ų5071 Ų7152%0.51544%0.435SS..SBendtrans87.54.4177.600000115.9T243 A244T243-G246 PolarHBondContact O-N 3.27Å; A244-G246 VanDerWaalsContact C-N 3.25Å; A244-G246 PolarHBondContact O-N 3.12Å
247H78.4Confident61.7Low67 Ų6771.2 Ų71.231%0.3144%0.437SS..  trans-83131.8179.7-58.199.8000112.2V117 G121 L242 T243V117-H247 HydrophobicContact CG1-CB 4.26Å; G121-H247 VanDerWaalsContact CA-CD2 3.44Å; G121-H247 WeakPolarHBondContact CA-CD2 3.44Å; G121-H247 VanDerWaalsContact CA-CG 3.47Å; L242-H247 CarbonylContact C-O 3.44Å; L242-H247 WeakPolarHBondContact CA-O 3.41Å; T243-H247 VanDerWaalsContact CB-O 3.29Å; T243-H247 WeakPolarHBondContact CB-O 3.38Å; T243-H247 PolarHBondContact N-O 3.13Å; T243-H247 PolarHBondContact OG1-O 3.42Å
248E80.6Confident60.5Low119 Ų11974 Ų7456%0.55646%0.456SS*.BIsolated β-bridgetrans-64.1136.3174.1-69.6179.9-177.500111.8W123 L242W123-E248 WeakPolarHBondContact CH2-O 3.5Å; W123-E248 WeakPolarHBondContact CZ2-O 3.31Å; L242-E248 HydrophobicContact CD2-CB 4.3Å; L242-E248 HydrophobicContact CD2-CG 3.44Å; L242-E248 VanDerWaalsContact CD2-CG 3.44Å
249V78Confident59.3Low0 Ų075.4 Ų75.40%047%0.474CS..  trans-100.4-21.3179.6176.20000111.2Y29 N114 V117 W123 V241 T243 G251Y29-V249 HydrophobicContact CD2-CG1 4.37Å; Y29-V249 HydrophobicContact CD2-CG2 4.31Å; Y29-V249 HydrophobicContact CE2-CB 4.45Å; Y29-V249 HydrophobicContact CE2-CG1 3.44Å; Y29-V249 VanDerWaalsContact CE2-CG1 3.44Å; Y29-V249 HydrophobicContact CE2-CG2 4.15Å; Y29-V249 WeakPolarHBondContact OH-CG1 3.05Å; N114-V249 HydrophobicContact CB-CG1 3.73Å; V117-V249 HydrophobicContact CG2-CG2 4.36Å; W123-V249 VanDerWaalsContact CH2-C 3.41Å; W123-V249 WeakPolarHBondContact CH2-O 3.45Å; W123-V249 WeakPolarHBondContact CZ3-O 3.49Å; V241-V249 HydrophobicContact CB-CB 4.14Å; V241-V249 HydrophobicContact CG1-CB 3.92Å; V241-V249 HydrophobicContact CG1-CG1 4.34Å; V241-V249 HydrophobicContact CG1-CG2 4.16Å; V241-V249 WeakPolarHBondContact O-CB 3.43Å; V241-V249 PolarHBondContact O-N 2.83Å; T243-V249 WeakPolarHBondContact OG1-CG2 2.86Å; V249-G251 PolarHBondContact O-N 3.45Å
250S63.6Low58Low28 Ų2874.2 Ų74.220%0.19648%0.482CS..SBendtrans-73.6103.4170.9-50.20000108.9W123W123-S250 VanDerWaalsContact CH2-C 3.43Å; W123-S250 WeakPolarHBondContact CH2-O 3.4Å
251G53.1Low56.1Low17 Ų1781.4 Ų81.418%0.17551%0.51CS..  trans-55171.6-176.400000115.2W123 V249 G253W123-G251 VanDerWaalsContact CH2-N 3.3Å; V249-G251 PolarHBondContact O-N 3.45Å; G251-G253 PolarHBondContact O-N 3.3Å
252P42.6Very low53.8Low136 Ų13687 Ų8788%0.88355%0.549SS*.THydrogen-bonded Turntrans-70.540.4-173.230.1-36.5000114.9
253G44.8Very low51.2Low76 Ų7695.6 Ų95.678%0.78458%0.577SS**THydrogen-bonded Turntrans-154.36.2-17700000116.3G251G251-G253 PolarHBondContact O-N 3.3Å
254S43.1Very low49.2Very low92 Ų92100.7 Ų100.764%0.64361%0.611SS**SBendtrans-96.7-5.8-176.9-159.50000116.1
255L36.3Very low46.8Very low132 Ų132106.4 Ų106.469%0.69163%0.633SS**  trans-142.7115.3173.4-66172.3000110.7A257L255-A257 PolarHBondContact O-N 3.07Å
256K32.9Very low44.6Very low210 Ų210107.4 Ų107.491%0.91364%0.642SS**  trans-62.2112154.1-92.3179.3174.7176.30106
257A27.4Very low42.4Very low82 Ų82111.9 Ų111.968%0.67865%0.654SS**  trans-49.1130.7166.900000108.7L255 S259L255-A257 PolarHBondContact O-N 3.07Å; A257-S259 PolarHBondContact O-N 3.16Å
258P33.2Very low39.9Very low122 Ų122117 Ų11779%0.79268%0.684SS**  trans-61.6118.4170.924.1-29.3000107.2S260P258-S260 VanDerWaalsContact C-N 3.35Å; P258-S260 PolarHBondContact O-N 3.11Å
259S36.1Very low37.4Very low105 Ų105116.4 Ų116.473%0.73469%0.688SS**  trans-57.896.5173.859.40000109A257 K261A257-S259 PolarHBondContact O-N 3.16Å; S259-K261 VanDerWaalsContact C-N 3.33Å; S259-K261 PolarHBondContact O-N 2.78Å
260S33.7Very low35Very low116 Ų116124.9 Ų124.981%0.81173%0.727SS**  trans-72.398.3165.554.40000107P258 S262P258-S260 VanDerWaalsContact C-N 3.35Å; P258-S260 PolarHBondContact O-N 3.11Å; S260-S262 PolarHBondContact O-N 2.85Å
261K29.3Very low33.2Very low190 Ų190127.2 Ų127.283%0.82675%0.748SS**  trans-43.2109.3170.6-65.8167.8177.8173.10110S259 R263S259-K261 VanDerWaalsContact C-N 3.33Å; S259-K261 PolarHBondContact O-N 2.78Å; K261-R263 PolarHBondContact O-N 3.18Å
262S30.7Very low31.9Very low119 Ų119132 Ų13283%0.83277%0.774SS**  trans-69.3112.2156.553.40000107.6S260S260-S262 PolarHBondContact O-N 2.85Å
263R26.6Very low31.1Very low238 Ų238133.9 Ų133.990%0.89877%0.771SS**  trans-114.9133.9160.2-107.4-173.2169.5-172.9-4.3108.6K261K261-R263 PolarHBondContact O-N 3.18Å
264P38.8Very low30.2Very low113 Ų113134.8 Ų134.873%0.73477%0.771SS**  trans-93.9159.5-174.337.9-34000112.4
265L27.6Very low29.4Very low167 Ų167137.4 Ų137.487%0.87478%0.778SS**  trans149.1108.9154.4-89.3142.2000106.8
266A26.3Very low28.9Very low77 Ų77138.2 Ų138.264%0.63678%0.783SS**  97.9124.968.600000111.3
267D27.9Very low28.6Very low144 Ų144134.5 Ų134.577%0.7778%0.778SS**  trans53.4116.8153.8-56.4-18.4000120.5
268D26.3Very low28.6Very low174 Ų174138.5 Ų138.593%0.9378%0.783SS**  -152.7137.4114.8-104.9-29.7000112.1
269V28.2Very low28.2Very low106 Ų106140.4 Ų140.464%0.64279%0.786SS**  trans-90.4149.4-167.6164.90000111.4
270H27.2Very low27.9Very low178 Ų178144.1 Ų144.182%0.82479%0.792SS**  trans175100.4132.1-88.8-59.6000108.5
271A25.8Very low27.7Very low77 Ų77146.8 Ų146.864%0.63679%0.792SS**  65.3119.298.100000111.7
272T25Very low27.7Very low119 Ų119146.2 Ų146.273%0.7379%0.792SS**  -174.6129.769.428.40000113.7
273E26.4Very low27.5Very low175 Ų175144.3 Ų144.382%0.81879%0.791SS**  91.4115.2129.4-48.3-98.5158.700121.4
274A26.5Very low27.6Very low95 Ų95142.5 Ų142.579%0.78579%0.793SS**  trans59.5137.1135.100000119.5
275D25.4Very low27.2Very low147 Ų147140.8 Ų140.879%0.78680%0.796SS**  cis-162.3138.925.3-169.721.5000108
276D25.3Very low27.4Very low149 Ų149141.1 Ų141.180%0.79779%0.793SS**  trans-101.2136171.3-97.3-39.5000107.5
277T27.4Very low27.5Very low131 Ų131149.6 Ų149.680%0.80481%0.809SS**  trans-137.3117.2151-200000111.2
278Q27.5Very low27.7Very low166 Ų166150.9 Ų150.978%0.77681%0.81SS**  trans-58.6148.4178.9-64153.9-11.300113.4
279N25Very low28Very low162 Ų162149.3 Ų149.387%0.86680%0.801SS**  -170.5121.9114.8-100.5-7.6000111.3
280E29Very low28.2Very low183 Ų183150.7 Ų150.786%0.85581%0.81SS**  trans-92.2176.6160.7-70.4-17415300110.1
281E30.1Very low28.9Very low173 Ų173150.7 Ų150.781%0.80881%0.811SS**  trans90.4134.7169.2-56.4-179-178.100116.5
282E28.4Very low29.4Very low177 Ų177152.2 Ų152.283%0.82782%0.817SS**  cis-172.8153.2-8.1-108.7-177.4-16900103.9
283G26.8Very low30.3Very low79 Ų79154.9 Ų154.981%0.81483%0.826SS**  trans-177.487.1175.800000113.9
284E29.5Very low31.3Very low201 Ų201150.4 Ų150.494%0.93982%0.819SS**  trans-65148.9173.8-58.7-172.4158.700113.4
285G29.1Very low32.1Very low77 Ų77152.9 Ų152.979%0.79482%0.82SS**  trans-172.582.8173.500000111.7
286E31.5Very low33Very low173 Ų173153.4 Ų153.481%0.80882%0.822SS**  trans-75.2128.9178.5-167.1176.6-139.100111.7
287W29Very low34.2Very low256 Ų256152.6 Ų152.697%0.9782%0.818SS**  trans-148.7129152.1-71.197.1000110.4
288E31.9Very low35.4Very low170 Ų170153.1 Ų153.179%0.79482%0.816SS**  trans-77.9156.3-177.6-73176.5140.400114.8
289D32.1Very low36.9Very low141 Ų141151.2 Ų151.275%0.75481%0.811SS**  trans63.4111.4148.3-83.6-15.6000120.8
290T33.4Very low38.4Very low135 Ų135154.7 Ų154.783%0.82881%0.812SS**  -165.5126.7101-49.60000110S292T290-S292 PolarHBondContact O-N 2.89Å
291Q42.7Very low39.5Very low179 Ų179149.1 Ų149.184%0.83679%0.793SS**  trans-64123171.9-71.8169.6-28.900112
292S34.6Very low40.8Very low109 Ų109147.3 Ų147.376%0.76278%0.784SS**  trans-142.2106147.860.20000108.4T290 A294T290-S292 PolarHBondContact O-N 2.89Å; S292-A294 PolarHBondContact O-N 2.98Å; S292-A294 VanDerWaalsContact O-N 3.12Å
293N44.1Very low42.1Very low174 Ų174145.2 Ų145.293%0.9377%0.774SS**  trans-64.1107.9171.7-68-72000108.8
294A47.4Very low43.4Very low81 Ų81150.5 Ų150.567%0.66977%0.77SS**  trans-124144.6160.500000106.8S292S292-A294 PolarHBondContact O-N 2.98Å; S292-A294 VanDerWaalsContact O-N 3.12Å
295D43.4Very low45.2Very low148 Ų148145.7 Ų145.779%0.79175%0.747SS**  trans84.175.6178.1-56.8-14.7000116.9
296D45.1Very low47Very low158 Ų158148.6 Ų148.685%0.84573%0.734SS**  trans-117.446.6142.4-165.527.7000108.5D298D296-D298 PolarHBondContact O-N 3.21Å
297D49.5Very low48.3Very low131 Ų131144.8 Ų144.870%0.70172%0.716SS**  trans-8797.1163.5-83.2-17.4000106.9D299D297-D299 PolarHBondContact O-N 3.2Å
298D53.1Low49.8Very low142 Ų142139.3 Ų139.376%0.75970%0.702SS**  trans-72.345.4171.9-161.918.5000110.7D296 R300D296-D298 PolarHBondContact O-N 3.21Å; D298-R300 VanDerWaalsContact C-N 3.27Å; D298-R300 PolarHBondContact O-N 3.02Å
299D58.5Low51.4Low126 Ų126134.8 Ų134.867%0.67469%0.693SS**  trans-79.283.2173.5-87.5-7.3000108.3D297 C301D297-D299 PolarHBondContact O-N 3.2Å; D299-C301 PolarHBondContact O-N 3.16Å
300R56.1Low52.7Low235 Ų235133.2 Ų133.289%0.88768%0.684SS**  trans-69.416.4171.8-133.3-170.1-161.1-129.24.2113.6D298D298-R300 VanDerWaalsContact C-N 3.27Å; D298-R300 PolarHBondContact O-N 3.02Å
301C53.2Low54Low67 Ų67132 Ų13245%0.45367%0.669SS.*  trans-77.6122.3174.4-78.40000108.1D299 E305D299-C301 PolarHBondContact O-N 3.16Å; C301-E305 VanDerWaalsContact CA-OE2 3.27Å; C301-E305 WeakPolarHBondContact CA-OE2 3.45Å; C301-E305 HydrophobicContact CB-CB 4.24Å; C301-E305 WeakPolarHBondContact CB-OE2 2.96Å; C301-E305 PolarHBondContact SG-OE2 3.43Å
302E57.6Low54.6Low134 Ų134129.6 Ų129.663%0.62666%0.662SS**  trans-59.6148.9178.2-65.8-179.4-178.700109.1W304 E305 R306E302-W304 PolarHBondContact O-N 3.38Å; E302-E305 WeakPolarHBondContact O-CA 3.45Å; E302-E305 WeakPolarHBondContact O-CB 3.2Å; E302-E305 PolarHBondContact O-N 3.13Å; E302-R306 PolarHBondContact O-N 2.89Å
303E54.6Low55.3Low133 Ų133128.4 Ų128.462%0.62165%0.647SS**Hα-helixtrans-53.4-28.2-177.9-179.6150.9-120.800113.2R306 H307E303-R306 VanDerWaalsContact CD-NH2 3.3Å; E303-R306 PolarHBondContact O-N 3.25Å; E303-R306 IonicContact OE1-CZ 3.04Å; E303-R306 IonicContact OE1-NH1 3.49Å; E303-R306 IonicContact OE1-NH2 3.88Å; E303-R306 PolarHBondContact OE1-NH2 3.5Å; E303-H307 PolarHBondContact O-N 3.29Å
304W54.4Low55.7Low191 Ų191125.9 Ų125.972%0.72364%0.638SS**Hα-helixtrans-64.8-38.6171.3-59.4101.8000113.7E302 R306 H307 E308E302-W304 PolarHBondContact O-N 3.38Å; W304-R306 VanDerWaalsContact C-N 3.34Å; W304-H307 PolarHBondContact O-N 3.24Å; W304-E308 PolarHBondContact O-N 2.81Å
305E66.9Low55.8Low100 Ų100126.3 Ų126.347%0.46763%0.632SS.*Hα-helixtrans-70.3-32.6175.9-62.9-177.5159.700111.2C301 E302 A309C301-E305 VanDerWaalsContact CA-OE2 3.27Å; C301-E305 WeakPolarHBondContact CA-OE2 3.45Å; C301-E305 HydrophobicContact CB-CB 4.24Å; C301-E305 WeakPolarHBondContact CB-OE2 2.96Å; C301-E305 PolarHBondContact SG-OE2 3.43Å; E302-E305 WeakPolarHBondContact O-CA 3.45Å; E302-E305 WeakPolarHBondContact O-CB 3.2Å; E302-E305 PolarHBondContact O-N 3.13Å; E305-A309 WeakPolarHBondContact O-CB 3.46Å; E305-A309 PolarHBondContact O-N 2.99Å; E305-A309 VanDerWaalsContact O-N 3.08Å
306R67.7Low56.2Low137 Ų137121.6 Ų121.652%0.51761%0.61SS.*Hα-helixtrans-66.3-40.4169.5-78.9-169.3-67.6106-3.9111.8E302 E303 W304 L310E302-R306 PolarHBondContact O-N 2.89Å; E303-R306 VanDerWaalsContact CD-NH2 3.3Å; E303-R306 PolarHBondContact O-N 3.25Å; E303-R306 IonicContact OE1-CZ 3.04Å; E303-R306 IonicContact OE1-NH1 3.49Å; E303-R306 IonicContact OE1-NH2 3.88Å; E303-R306 PolarHBondContact OE1-NH2 3.5Å; W304-R306 VanDerWaalsContact C-N 3.34Å; R306-L310 PolarHBondContact O-N 3.47Å
307H59.3Low56.4Low93 Ų93122.5 Ų122.543%0.43161%0.609SS.*Hα-helixtrans-69.2-41.4179.5-161.9-136.8000111.7E303 W304 L310 H311E303-H307 PolarHBondContact O-N 3.29Å; W304-H307 PolarHBondContact O-N 3.24Å; H307-L310 PolarHBondContact O-N 3.49Å; H307-H311 AromaticContact CD2-CD2 3.93Å; H307-H311 AromaticContact CD2-NE2 3.74Å; H307-H311 AromaticContact CE1-NE2 3.89Å; H307-H311 AromaticContact NE2-CD2 3.8Å; H307-H311 AromaticContact NE2-NE2 3.28Å; H307-H311 PolarHBondContact NE2-NE2 3.33Å; H307-H311 PolarHBondContact O-CD2 3.45Å; H307-H311 PolarHBondContact O-N 2.79Å
308E59.5Low56.3Low142 Ų142125.3 Ų125.366%0.66462%0.618SS**Hα-helixtrans-63.6-43.5174-76.3-176.3174.300111.9W304 L310 H311 D312W304-E308 PolarHBondContact O-N 2.81Å; E308-L310 PolarHBondContact O-N 3.48Å; E308-H311 PolarHBondContact O-N 3.04Å; E308-H311 VanDerWaalsContact O-N 3.15Å; E308-D312 WeakPolarHBondContact O-CB 3.17Å; E308-D312 PolarHBondContact O-N 3.21Å
309A65.8Low56.2Low74 Ų74128 Ų12861%0.61262%0.618SS**Hα-helixtrans-66.1-23.5179.800000114E305E305-A309 WeakPolarHBondContact O-CB 3.46Å; E305-A309 PolarHBondContact O-N 2.99Å; E305-A309 VanDerWaalsContact O-N 3.08Å
310L60.1Low55.5Low109 Ų109126.8 Ų126.857%0.57162%0.619SS**Hα-helixtrans-72.3-35.7174.6-169.572.2000111.6R306 H307 E308R306-L310 PolarHBondContact O-N 3.47Å; H307-L310 PolarHBondContact O-N 3.49Å; E308-L310 PolarHBondContact O-N 3.48Å
311H59.8Low55.3Low110 Ų110124.5 Ų124.551%0.50962%0.616SS.*Hα-helixtrans-93.2-14.6-177.3-68.6-62.6000113.8H307 E308 D313H307-H311 AromaticContact CD2-CD2 3.93Å; H307-H311 AromaticContact CD2-NE2 3.74Å; H307-H311 AromaticContact CE1-NE2 3.89Å; H307-H311 AromaticContact NE2-CD2 3.8Å; H307-H311 AromaticContact NE2-NE2 3.28Å; H307-H311 PolarHBondContact NE2-NE2 3.33Å; H307-H311 PolarHBondContact O-CD2 3.45Å; H307-H311 PolarHBondContact O-N 2.79Å; E308-H311 PolarHBondContact O-N 3.04Å; E308-H311 VanDerWaalsContact O-N 3.15Å; H311-D313 PolarHBondContact O-N 3.11Å
312D55.8Low55.2Low128 Ų128128.1 Ų128.168%0.68463%0.626SS**  trans-90.174.4179.4-14819.6000110.8E308 V314E308-D312 WeakPolarHBondContact O-CB 3.17Å; E308-D312 PolarHBondContact O-N 3.21Å; D312-V314 PolarHBondContact O-N 3.48Å; D312-V314 VanDerWaalsContact O-N 3.13Å
313D50Low55.2Low83 Ų83132.5 Ų132.544%0.44464%0.637SS.*  trans-64.9110.5177.5176.512.4000111H311 T315 S316H311-D313 PolarHBondContact O-N 3.11Å; D313-T315 PolarHBondContact O-N 3.34Å; D313-T315 VanDerWaalsContact O-N 3.11Å; D313-T315 WeakPolarHBondContact OD1-CA 3.41Å; D313-T315 WeakPolarHBondContact OD1-CB 3.36Å; D313-T315 PolarHBondContact OD1-N 2.9Å; D313-T315 PolarHBondContact OD1-OG1 3.16Å; D313-T315 PolarHBondContact OD2-OG1 3.35Å; D313-S316 VanDerWaalsContact O-CB 3.25Å; D313-S316 WeakPolarHBondContact O-CB 3.47Å; D313-S316 PolarHBondContact O-N 3.09Å; D313-S316 PolarHBondContact O-OG 3.24Å
314V51.6Low55.3Low122 Ų122129.5 Ų129.574%0.73963%0.625SS**G310 helixtrans-60.3-21.3177.2-177.20000112.3D312D312-V314 PolarHBondContact O-N 3.48Å; D312-V314 VanDerWaalsContact O-N 3.13Å
315T49.1Very low55.5Low89 Ų89131.9 Ų131.955%0.54664%0.635SS.*G310 helixtrans-83.6-13.8176.877.80000113.7D313 Q317 E318 R319D313-T315 PolarHBondContact O-N 3.34Å; D313-T315 VanDerWaalsContact O-N 3.11Å; D313-T315 WeakPolarHBondContact OD1-CA 3.41Å; D313-T315 WeakPolarHBondContact OD1-CB 3.36Å; D313-T315 PolarHBondContact OD1-N 2.9Å; D313-T315 PolarHBondContact OD1-OG1 3.16Å; D313-T315 PolarHBondContact OD2-OG1 3.35Å; T315-Q317 PolarHBondContact O-N 3.27Å; T315-E318 PolarHBondContact O-N 3.32Å; T315-R319 PolarHBondContact O-N 3.46Å
316S51.9Low55.3Low49 Ų49131.6 Ų131.634%0.34363%0.634SS.*G310 helixtrans-66.9-19.2172.974.30000113.2D313 E318 R319D313-S316 VanDerWaalsContact O-CB 3.25Å; D313-S316 WeakPolarHBondContact O-CB 3.47Å; D313-S316 PolarHBondContact O-N 3.09Å; D313-S316 PolarHBondContact O-OG 3.24Å; S316-E318 PolarHBondContact O-N 2.94Å; S316-R319 PolarHBondContact O-N 3.03Å
317Q50.6Low55Low177 Ų177133.6 Ų133.683%0.82765%0.649SS**G310 helixtrans-65-24.2175.3-92178.5-1.600113.5T315T315-Q317 PolarHBondContact O-N 3.27Å
318E47.6Very low55Low190 Ų190137.3 Ų137.389%0.88867%0.667SS**THydrogen-bonded Turntrans-111.1-3.3178.3-74.8-170.3163.500114T315 S316T315-E318 PolarHBondContact O-N 3.32Å; S316-E318 PolarHBondContact O-N 2.94Å
319R49.3Very low55.3Low199 Ų199134.7 Ų134.775%0.75166%0.656SS**SBendtrans-113.3123.6170.7-94.4-176.8172.8139.5-3.9111.2T315 S316 K321T315-R319 PolarHBondContact O-N 3.46Å; S316-R319 PolarHBondContact O-N 3.03Å; R319-K321 PolarHBondContact O-N 3.33Å
320S44Very low55Low101 Ų101140.1 Ų140.171%0.70667%0.669SS**  trans-49.786.4176.349.80000114E322S320-E322 PolarHBondContact O-N 3.12Å
321K53.3Low55Low186 Ų186139.9 Ų139.981%0.80967%0.668SS**  -69.697.9129.9-77.6-174.4177.9-176.60104R319 R323R319-K321 PolarHBondContact O-N 3.33Å; K321-R323 PolarHBondContact O-N 3.04Å
322E50.7Low54.8Low143 Ų143142.2 Ų142.267%0.66868%0.677SS**  trans-51.5117.1-178.4-72.2-173.6159.800107.3S320 L324S320-E322 PolarHBondContact O-N 3.12Å; E322-L324 PolarHBondContact O-N 2.98Å
323R56.7Low54.7Low227 Ų227143.5 Ų143.586%0.85767%0.672SS**  trans-6197.5166.8-77.4-176.4174.9117.61.3105.2K321 Y325K321-R323 PolarHBondContact O-N 3.04Å; R323-Y325 PolarHBondContact O-N 2.94Å; R323-Y325 VanDerWaalsContact O-N 3.17Å
324L57.3Low55Low70 Ų70145.9 Ų145.937%0.36668%0.68SS.*  trans-51.7124.1173.2-72.4148.9000106.3E322 E326 D345 A346E322-L324 PolarHBondContact O-N 2.98Å; L324-E326 PolarHBondContact O-N 3.16Å; L324-D345 HydrophobicContact CD2-CB 3.79Å; L324-A346 HydrophobicContact CD1-CB 3.71Å; L324-A346 HydrophobicContact CD2-CB 4.44Å
325Y57.7Low55Low241 Ų241149.1 Ų149.195%0.94568%0.684SS**SBendtrans-72.810.5-175.3-67.4-80000112.7R323R323-Y325 PolarHBondContact O-N 2.94Å; R323-Y325 VanDerWaalsContact O-N 3.17Å
326E64.1Low55.6Low93 Ų93148.9 Ų148.944%0.43570%0.7SS.*SBendtrans-113.7138.8-174.7-51.3-172.5175.900108.6L324 T344L324-E326 PolarHBondContact O-N 3.16Å; E326-T344 WeakPolarHBondContact OE2-CA 3.42Å; E326-T344 WeakPolarHBondContact OE2-CB 3.39Å; E326-T344 WeakPolarHBondContact OE2-CG2 3.39Å
327E60.2Low56.1Low180 Ų180148 Ų14884%0.84170%0.698SS**  trans-66.7138.1171.2-71.2179.8165.400109I329E327-I329 WeakPolarHBondContact O-CG1 3.42Å; E327-I329 PolarHBondContact O-N 2.92Å; E327-I329 VanDerWaalsContact O-N 3.1Å
328E59.9Low56.5Low171 Ų171144.7 Ų144.780%0.79970%0.695SS**  trans-61.7112.2178.1-165.3175.6-177.600109.6E330E328-E330 PolarHBondContact O-N 3.39Å
329I65.9Low56.9Low86 Ų86139 Ų13944%0.44169%0.687SS.*  trans-92.6100.8-177.7-54.3178.4000108.2E327 L331 F342 T344E327-I329 WeakPolarHBondContact O-CG1 3.42Å; E327-I329 PolarHBondContact O-N 2.92Å; E327-I329 VanDerWaalsContact O-N 3.1Å; I329-L331 PolarHBondContact O-N 2.81Å; I329-L331 VanDerWaalsContact O-N 3.11Å; I329-F342 HydrophobicContact CD1-CB 4.47Å; I329-F342 HydrophobicContact CD1-CG 4.34Å; I329-T344 HydrophobicContact CD1-CG2 3.98Å
330E59.6Low57.2Low189 Ų189134.8 Ų134.888%0.88368%0.679SS**  trans-60.9-20.4179.6-75.3-177.715700114E328E328-E330 PolarHBondContact O-N 3.39Å
331L60.5Low58Low103 Ų103134.1 Ų134.154%0.53967%0.671SS.*  trans-116.690.7-166.8-129.6114.3000112.9I329 W333 E334I329-L331 PolarHBondContact O-N 2.81Å; I329-L331 VanDerWaalsContact O-N 3.11Å; L331-W333 WeakPolarHBondContact CD2-O 3.19Å; L331-W333 PolarHBondContact O-N 2.82Å; L331-E334 HydrophobicContact CD2-CG 3.91Å
332K55.8Low58.3Low160 Ų160130.7 Ų130.770%0.69666%0.656SS**SBendtrans-60.3-20.9177.152.3164.3177.3-161.10116.1
333W53.5Low58.8Low154 Ų154133.8 Ų133.858%0.58366%0.663SS**  trans-154.2124.7171.468-81.1000110.7L331 K335L331-W333 WeakPolarHBondContact CD2-O 3.19Å; L331-W333 PolarHBondContact O-N 2.82Å; W333-K335 HydrophobicContact CE3-CB 3.95Å; W333-K335 HydrophobicContact CH2-CB 3.79Å; W333-K335 HydrophobicContact CH2-CD 3.8Å; W333-K335 HydrophobicContact CH2-CG 3.95Å; W333-K335 HydrophobicContact CZ3-CB 3.28Å; W333-K335 HydrophobicContact CZ3-CD 3.92Å; W333-K335 HydrophobicContact CZ3-CG 3.53Å
334E55.5Low59.2Low134 Ų134124 Ų12463%0.62663%0.629SS**  trans-78.9120.4167.5-82.4-169.6143.200109.7L331 G336 G337L331-E334 HydrophobicContact CD2-CG 3.91Å; E334-G336 PolarHBondContact O-N 3.34Å; E334-G337 PolarHBondContact O-N 3.37Å; E334-G337 WeakPolarHBondContact OE2-CA 3.48Å
335K51.4Low59.4Low189 Ų189125.4 Ų125.482%0.82264%0.636SS**THydrogen-bonded Turntrans-71.182.1167.8-166.2171.9-168.3-179.10109.9W333W333-K335 HydrophobicContact CE3-CB 3.95Å; W333-K335 HydrophobicContact CH2-CB 3.79Å; W333-K335 HydrophobicContact CH2-CD 3.8Å; W333-K335 HydrophobicContact CH2-CG 3.95Å; W333-K335 HydrophobicContact CZ3-CB 3.28Å; W333-K335 HydrophobicContact CZ3-CD 3.92Å; W333-K335 HydrophobicContact CZ3-CG 3.53Å
336G62.7Low59.9Low84 Ų84115.1 Ų115.187%0.86660%0.601SS**THydrogen-bonded Turntrans127.5-2.2-179.900000115.2E334E334-G336 PolarHBondContact O-N 3.34Å
337G60.8Low60Low31 Ų31114 Ų11432%0.3260%0.596SS.*SBendtrans-88.8-177171.100000113.1E334 G339E334-G337 PolarHBondContact O-N 3.37Å; E334-G337 WeakPolarHBondContact OE2-CA 3.48Å; G337-G339 PolarHBondContact O-N 2.86Å
338S59.1Low60.5Low108 Ų108112.1 Ų112.176%0.75558%0.582SS**  trans-62.45.4-170.164.50000117.3L340S338-L340 PolarHBondContact O-N 3.3Å
339G57.3Low60.9Low70 Ų70109.7 Ų109.772%0.72257%0.566SS**  trans67.313.517800000114.4G337 V341G337-G339 PolarHBondContact O-N 2.86Å; G339-V341 PolarHBondContact O-N 3.04Å
340L55.9Low60.9Low110 Ų110110.2 Ų110.258%0.57657%0.566SS**  trans-72.6120.4172-112.677.1000109.5S338 F342S338-L340 PolarHBondContact O-N 3.3Å; L340-F342 HydrophobicContact CB-CZ 4.49Å; L340-F342 HydrophobicContact CD2-CE1 4.45Å
341V58.8Low61.4Low88 Ų88108 Ų10853%0.53356%0.556SS.*  trans-84.2113.7166.2179.50000106.5G339 Y343G339-V341 PolarHBondContact O-N 3.04Å; V341-Y343 HydrophobicContact CB-CE2 4.32Å; V341-Y343 HydrophobicContact CG1-CD2 4.48Å; V341-Y343 HydrophobicContact CG1-CE1 4.16Å; V341-Y343 HydrophobicContact CG1-CE2 4.05Å; V341-Y343 PolarHBondContact O-N 2.94Å
342F61.6Low61.9Low114 Ų114108.8 Ų108.850%0.556%0.557SS.*  trans-79110.7174.4-64-82.1000108.3I329 L340 T344I329-F342 HydrophobicContact CD1-CB 4.47Å; I329-F342 HydrophobicContact CD1-CG 4.34Å; L340-F342 HydrophobicContact CB-CZ 4.49Å; L340-F342 HydrophobicContact CD2-CE1 4.45Å; F342-T344 HydrophobicContact CB-CG2 4.2Å; F342-T344 PolarHBondContact O-N 2.87Å
343Y59.6Low62.3Low207 Ų207107.1 Ų107.181%0.81255%0.552SS**  trans-88.285.9164.9-62.1-78.8000106.8V341V341-Y343 HydrophobicContact CB-CE2 4.32Å; V341-Y343 HydrophobicContact CG1-CD2 4.48Å; V341-Y343 HydrophobicContact CG1-CE1 4.16Å; V341-Y343 HydrophobicContact CG1-CE2 4.05Å; V341-Y343 PolarHBondContact O-N 2.94Å
344T66.3Low62.9Low23 Ų23100.9 Ų100.914%0.14154%0.535CS..  trans-82.3145.8172.753.80000108.8E326 I329 F342 A346 Q347 Y348E326-T344 WeakPolarHBondContact OE2-CA 3.42Å; E326-T344 WeakPolarHBondContact OE2-CB 3.39Å; E326-T344 WeakPolarHBondContact OE2-CG2 3.39Å; I329-T344 HydrophobicContact CD1-CG2 3.98Å; F342-T344 HydrophobicContact CB-CG2 4.2Å; F342-T344 PolarHBondContact O-N 2.87Å; T344-A346 PolarHBondContact O-N 2.86Å; T344-Q347 PolarHBondContact O-N 2.85Å; T344-Q347 PolarHBondContact OG1-N 3.11Å; T344-Y348 PolarHBondContact O-N 2.67Å
345D61.1Low63.6Low98 Ų9899.1 Ų99.152%0.52453%0.529SS..Hα-helixtrans-57-32.1174.8-86.5-4.2000110.4L324 Q347 Y348 W349L324-D345 HydrophobicContact CD2-CB 3.79Å; D345-Q347 VanDerWaalsContact C-N 3.32Å; D345-Q347 PolarHBondContact O-N 3.28Å; D345-Y348 PolarHBondContact O-N 3.31Å; D345-W349 PolarHBondContact O-N 3.13Å
346A67.1Low64.3Low25 Ų2597.2 Ų97.221%0.20752%0.522CS..Hα-helixtrans-54.8-45174.400000112.8L324 T344 Q350L324-A346 HydrophobicContact CD1-CB 3.71Å; L324-A346 HydrophobicContact CD2-CB 4.44Å; T344-A346 PolarHBondContact O-N 2.86Å; A346-Q350 VanDerWaalsContact O-CB 3.3Å; A346-Q350 WeakPolarHBondContact O-CB 3.26Å; A346-Q350 PolarHBondContact O-N 3.44Å
347Q67.6Low64.4Low71 Ų7199 Ų9933%0.33251%0.511SS..Hα-helixtrans-69.9-38.5179.5-17965.528.600111.6T344 D345 Q350 E351T344-Q347 PolarHBondContact O-N 2.85Å; T344-Q347 PolarHBondContact OG1-N 3.11Å; D345-Q347 VanDerWaalsContact C-N 3.32Å; D345-Q347 PolarHBondContact O-N 3.28Å; Q347-Q350 PolarHBondContact O-N 3.35Å; Q347-E351 PolarHBondContact NE2-OE1 2.93Å; Q347-E351 VanDerWaalsContact NE2-OE1 3.14Å; Q347-E351 PolarHBondContact O-N 3.44Å
348Y69.4Low64.5Low139 Ų139104 Ų10455%0.54553%0.527SS..Hα-helixtrans-62-45.8178178.3-99.9000111.2T344 D345 E351 E352T344-Y348 PolarHBondContact O-N 2.67Å; D345-Y348 PolarHBondContact O-N 3.31Å; Y348-E351 PolarHBondContact O-N 2.72Å; Y348-E352 PolarHBondContact O-N 3.1Å
349W68.6Low64.6Low121 Ų121103.8 Ų103.846%0.45851%0.513SS..Hα-helixtrans-68.8-36.3177.3-66.5117.5000112.5D345 E351 E352 E353D345-W349 PolarHBondContact O-N 3.13Å; W349-E351 VanDerWaalsContact C-N 3.34Å; W349-E351 PolarHBondContact O-N 2.92Å; W349-E352 VanDerWaalsContact CZ3-OE2 3.26Å; W349-E352 WeakPolarHBondContact CZ3-OE2 3.44Å; W349-E352 PolarHBondContact O-N 3.3Å; W349-E352 VanDerWaalsContact O-N 3.08Å; W349-E353 PolarHBondContact O-N 3.49Å
350Q67.6Low64.7Low96 Ų96104.2 Ų104.245%0.44950%0.502SS..Hα-helixtrans-69-29.7176.9-165.217128.900113.1A346 Q347 E352A346-Q350 VanDerWaalsContact O-CB 3.3Å; A346-Q350 WeakPolarHBondContact O-CB 3.26Å; A346-Q350 PolarHBondContact O-N 3.44Å; Q347-Q350 PolarHBondContact O-N 3.35Å; Q350-E352 VanDerWaalsContact C-N 3.28Å
351E69.3Low65.1Low144 Ų144101.7 Ų101.767%0.67350%0.497SS*.Hα-helixtrans-72.3-21.6170.2-82.1176.7-16900112.8Q347 Y348 W349Q347-E351 PolarHBondContact NE2-OE1 2.93Å; Q347-E351 VanDerWaalsContact NE2-OE1 3.14Å; Q347-E351 PolarHBondContact O-N 3.44Å; Y348-E351 PolarHBondContact O-N 2.72Å; W349-E351 VanDerWaalsContact C-N 3.34Å; W349-E351 PolarHBondContact O-N 2.92Å
352E70.4Confident65Low119 Ų119103.4 Ų103.456%0.55650%0.503SS*.Hα-helixtrans-89.6-20.1177.2-159.3168-164.900112.7Y348 W349 Q350 G354Y348-E352 PolarHBondContact O-N 3.1Å; W349-E352 VanDerWaalsContact CZ3-OE2 3.26Å; W349-E352 WeakPolarHBondContact CZ3-OE2 3.44Å; W349-E352 PolarHBondContact O-N 3.3Å; W349-E352 VanDerWaalsContact O-N 3.08Å; Q350-E352 VanDerWaalsContact C-N 3.28Å; E352-G354 PolarHBondContact O-N 2.95Å; E352-G354 VanDerWaalsContact O-N 3.07Å
353E65.5Low64.8Low125 Ų125104.1 Ų104.158%0.58451%0.512SS*.SBendtrans-72.113.9177.3-82.7-175.8164.800115W349 Q359W349-E353 PolarHBondContact O-N 3.49Å; E353-Q359 PolarHBondContact O-NE2 2.81Å
354G65.1Low64.8Low22 Ų22103.7 Ų103.723%0.22751%0.509CS..  trans80173.4176.200000114.1E352 E358 Q359E352-G354 PolarHBondContact O-N 2.95Å; E352-G354 VanDerWaalsContact O-N 3.07Å; G354-E358 WeakPolarHBondContact CA-OE2 3.49Å; G354-Q359 PolarHBondContact O-NE2 2.96Å; G354-Q359 VanDerWaalsContact O-NE2 3.16Å
355D71.4Confident64.7Low97 Ų97108.9 Ų108.952%0.51954%0.536SS..  trans-79.2169.8179.261.412.3000112.7D357 E358 Q359D355-D357 PolarHBondContact O-N 3.17Å; D355-D357 VanDerWaalsContact O-N 3.09Å; D355-E358 PolarHBondContact O-N 3.35Å; D355-E358 WeakPolarHBondContact OD1-CG 3.48Å; D355-E358 PolarHBondContact OD1-N 3.12Å; D355-E358 VanDerWaalsContact OD1-N 3.14Å; D355-Q359 PolarHBondContact O-N 2.94Å
356F65.3Low64.8Low150 Ų150109.7 Ų109.766%0.65855%0.545SS*.Hα-helixtrans-54.1-32.7-176.6177.2-95.9000112.7T360F356-T360 WeakPolarHBondContact O-CB 3.48Å; F356-T360 PolarHBondContact O-N 3.49Å; F356-T360 PolarHBondContact O-OG1 3.12Å
357D63.9Low64.8Low120 Ų120111 Ų11164%0.64255%0.548SS*.Hα-helixtrans-76.5-35.3-179.5-68.1-17.5000111.4D355 A361D355-D357 PolarHBondContact O-N 3.17Å; D355-D357 VanDerWaalsContact O-N 3.09Å; D357-A361 WeakPolarHBondContact O-CB 3.35Å; D357-A361 PolarHBondContact O-N 2.8Å
358E63.3Low65.2Low138 Ų138112.1 Ų112.165%0.64555%0.554SS**Hα-helixtrans-67.1-35.2170.1-77.5176170.200112.4G354 D355G354-E358 WeakPolarHBondContact CA-OE2 3.49Å; D355-E358 PolarHBondContact O-N 3.35Å; D355-E358 WeakPolarHBondContact OD1-CG 3.48Å; D355-E358 PolarHBondContact OD1-N 3.12Å; D355-E358 VanDerWaalsContact OD1-N 3.14Å
359Q61.3Low65.7Low103 Ų103106.9 Ų106.948%0.48154%0.538SS..Hα-helixtrans-76.2-24.9177.5-67.4178.616.800114E353 G354 D355E353-Q359 PolarHBondContact O-NE2 2.81Å; G354-Q359 PolarHBondContact O-NE2 2.96Å; G354-Q359 VanDerWaalsContact O-NE2 3.16Å; D355-Q359 PolarHBondContact O-N 2.94Å
360T60.8Low66.3Low79 Ų79102.6 Ų102.649%0.48553%0.525SS..SBendtrans-106.67.2-179.4-35.70000111.6F356 D362F356-T360 WeakPolarHBondContact O-CB 3.48Å; F356-T360 PolarHBondContact O-N 3.49Å; F356-T360 PolarHBondContact O-OG1 3.12Å; T360-D362 PolarHBondContact O-N 3.02Å
361A62.4Low66.8Low57 Ų57103.2 Ų103.247%0.47152%0.524SS..SBendtrans-63.2123.6171.700000108.2D357 D363D357-A361 WeakPolarHBondContact O-CB 3.35Å; D357-A361 PolarHBondContact O-N 2.8Å; A361-D363 PolarHBondContact O-N 3.42Å
362D56.7Low67.3Low123 Ų123105.4 Ų105.466%0.65853%0.528SS*.  trans-63.7117.1174.9-67-43000108.2T360 W364T360-D362 PolarHBondContact O-N 3.02Å; D362-W364 HydrophobicContact CB-CB 4.19Å; D362-W364 HydrophobicContact CB-CG 4.27Å; D362-W364 PolarHBondContact O-N 3.4Å
363D59.3Low67.9Low129 Ų129104.4 Ų104.469%0.6953%0.526SS*.THydrogen-bonded Turntrans-63.725.3172.7-64-45.4000113.2A361 D365A361-D363 PolarHBondContact O-N 3.42Å; D363-D365 VanDerWaalsContact C-N 3.34Å
364W59.4Low68.2Low199 Ų199107.5 Ų107.575%0.75454%0.537SS*.THydrogen-bonded Turntrans-90.21.3-174-79.149.7000112.8D362 V366D362-W364 HydrophobicContact CB-CB 4.19Å; D362-W364 HydrophobicContact CB-CG 4.27Å; D362-W364 PolarHBondContact O-N 3.4Å; W364-V366 VanDerWaalsContact C-N 3.33Å; W364-V366 PolarHBondContact O-N 3.37Å
365D62.8Low68.8Low132 Ų132113 Ų11371%0.70656%0.562SS**  trans-76.185.8169.853.3-27.8000110.5D363 D367D363-D365 VanDerWaalsContact C-N 3.34Å; D365-D367 PolarHBondContact O-N 3.07Å
366V62.8Low69.2Low115 Ų115109 Ų10970%0.69754%0.543SS*.  trans-57.3112.2166.8-1790000108.4W364 M368W364-V366 VanDerWaalsContact C-N 3.33Å; W364-V366 PolarHBondContact O-N 3.37Å; V366-M368 HydrophobicContact CG1-SD 3.84Å; V366-M368 WeakPolarHBondContact O-CG 3.36Å; V366-M368 PolarHBondContact O-N 3.18Å
367D68.9Low69.9Low52 Ų52102.4 Ų102.428%0.27852%0.517SS..  trans-67.594.8-180-173.31000111.1D365 S369 G377 D378D365-D367 PolarHBondContact O-N 3.07Å; D367-S369 PolarHBondContact O-N 2.86Å; D367-S369 WeakPolarHBondContact OD1-CA 3.29Å; D367-S369 WeakPolarHBondContact OD1-CB 3.33Å; D367-S369 PolarHBondContact OD1-N 3.16Å; D367-S369 PolarHBondContact OD1-OG 3.32Å; D367-S369 PolarHBondContact OD2-OG 3.18Å; D367-S369 VanDerWaalsContact OD2-OG 3.1Å; D367-G377 VanDerWaalsContact OD2-C 3.27Å; D367-G377 WeakPolarHBondContact OD2-CA 3.25Å; D367-G377 PolarHBondContact OD2-N 2.88Å; D367-D378 PolarHBondContact OD2-N 3.31Å; D367-D378 VanDerWaalsContact OD2-N 3.17Å
368M74.5Confident70.8Confident95 Ų95100.4 Ų100.447%0.46851%0.507SS..G310 helixtrans-81.6-1176.3-62.7-57.8-72.600112.9V366 V370 Y371 Y372V366-M368 HydrophobicContact CG1-SD 3.84Å; V366-M368 WeakPolarHBondContact O-CG 3.36Å; V366-M368 PolarHBondContact O-N 3.18Å; M368-V370 PolarHBondContact O-N 3.47Å; M368-Y371 HydrophobicContact CE-CD2 3.53Å; M368-Y371 HydrophobicContact CE-CE2 3.47Å; M368-Y371 VanDerWaalsContact CE-CE2 3.47Å; M368-Y371 PolarHBondContact O-N 2.77Å; M368-Y371 HydrophobicContact SD-CD2 4.23Å; M368-Y371 HydrophobicContact SD-CE2 4.05Å; M368-Y372 HydrophobicContact CB-CE2 4.5Å; M368-Y372 WeakPolarHBondContact O-CD2 3.29Å
369S80.8Confident71.5Confident28 Ų28100.3 Ų100.320%0.19651%0.508CS..G310 helixtrans-62.7-23.3-178.771.20000112.2D367 Y371 Y372 D373 G376 G377D367-S369 PolarHBondContact O-N 2.86Å; D367-S369 WeakPolarHBondContact OD1-CA 3.29Å; D367-S369 WeakPolarHBondContact OD1-CB 3.33Å; D367-S369 PolarHBondContact OD1-N 3.16Å; D367-S369 PolarHBondContact OD1-OG 3.32Å; D367-S369 PolarHBondContact OD2-OG 3.18Å; D367-S369 VanDerWaalsContact OD2-OG 3.1Å; S369-Y371 PolarHBondContact O-N 2.98Å; S369-Y371 VanDerWaalsContact O-N 3.09Å; S369-Y372 PolarHBondContact O-N 2.86Å; S369-D373 PolarHBondContact O-N 2.79Å; S369-G376 WeakPolarHBondContact OG-CA 3.44Å; S369-G377 PolarHBondContact OG-N 3.37Å
370V81.6Confident72.3Confident32 Ų32101.3 Ų101.319%0.19452%0.516CS..G310 helixtrans-55.7-30.9173.1-169.30000112.7M368 Y372 A381 R382 I385M368-V370 PolarHBondContact O-N 3.47Å; V370-Y372 VanDerWaalsContact C-N 3.34Å; V370-A381 HydrophobicContact CG2-CB 3.55Å; V370-R382 HydrophobicContact CG1-CG 4.36Å; V370-R382 HydrophobicContact CG2-CG 3.97Å; V370-I385 HydrophobicContact CB-CD1 3.53Å; V370-I385 HydrophobicContact CG1-CD1 3.19Å; V370-I385 HydrophobicContact CG1-CG1 4.44Å; V370-I385 HydrophobicContact CG2-CD1 4.3Å
371Y77.3Confident73.2Confident109 Ų10998.4 Ų98.443%0.42750%0.501SS..G310 helixtrans-77.9-20.1180-67.8-78.9000113.4M368 S369 I385M368-Y371 HydrophobicContact CE-CD2 3.53Å; M368-Y371 HydrophobicContact CE-CE2 3.47Å; M368-Y371 VanDerWaalsContact CE-CE2 3.47Å; M368-Y371 PolarHBondContact O-N 2.77Å; M368-Y371 HydrophobicContact SD-CD2 4.23Å; M368-Y371 HydrophobicContact SD-CE2 4.05Å; S369-Y371 PolarHBondContact O-N 2.98Å; S369-Y371 VanDerWaalsContact O-N 3.09Å; Y371-I385 HydrophobicContact CD1-CD1 4.31Å; Y371-I385 HydrophobicContact CD2-CD1 4.36Å; Y371-I385 HydrophobicContact CE1-CD1 3.9Å; Y371-I385 HydrophobicContact CE1-CG1 4.28Å; Y371-I385 HydrophobicContact CE2-CD1 3.96Å
372Y79.8Confident74.2Confident190 Ų190100.4 Ų100.475%0.74550%0.496SS*.THydrogen-bonded Turntrans-115.3-34.7-171.5-58.6-70.8000112.9M368 S369 V370M368-Y372 HydrophobicContact CB-CE2 4.5Å; M368-Y372 WeakPolarHBondContact O-CD2 3.29Å; S369-Y372 PolarHBondContact O-N 2.86Å; V370-Y372 VanDerWaalsContact C-N 3.34Å
373D82.7Confident75.3Confident98 Ų9898.6 Ų98.652%0.52449%0.487SS..  trans-110.8130-178.5-67.4-40.7000110.9S369 D375 G376S369-D373 PolarHBondContact O-N 2.79Å; D373-D375 PolarHBondContact O-N 2.95Å; D373-D375 VanDerWaalsContact O-N 3.14Å; D373-G376 PolarHBondContact O-N 3.31Å
374K73.3Confident76.3Confident189 Ų18998.6 Ų98.682%0.82248%0.478SS*.THydrogen-bonded Turntrans-60.9-27.9-175.9-171.8173.6179.2178.80113.8
375D75.8Confident77.4Confident139 Ų13991.1 Ų91.174%0.74345%0.452SS*.THydrogen-bonded Turntrans-120.219.3176.5-57.1-54.8000111D373 R382D373-D375 PolarHBondContact O-N 2.95Å; D373-D375 VanDerWaalsContact O-N 3.14Å; D375-R382 PolarHBondContact O-NH2 2.98Å
376G79.9Confident78.3Confident12 Ų1291.8 Ų91.812%0.12445%0.449CS..  trans-74.1168.5172.600000112S369 D373 R382S369-G376 WeakPolarHBondContact OG-CA 3.44Å; D373-G376 PolarHBondContact O-N 3.31Å; G376-R382 PolarHBondContact O-NE 2.65Å; G376-R382 PolarHBondContact O-NH2 2.86Å
377G81.4Confident79Confident11 Ų1192 Ų9211%0.11344%0.444CS..SBendtrans98.1139.5-179.700000115.2D367 S369 R382D367-G377 VanDerWaalsContact OD2-C 3.27Å; D367-G377 WeakPolarHBondContact OD2-CA 3.25Å; D367-G377 PolarHBondContact OD2-N 2.88Å; S369-G377 PolarHBondContact OG-N 3.37Å; G377-R382 PolarHBondContact O-NE 3.35Å; G377-R382 VanDerWaalsContact O-NE 3.14Å; G377-R382 PolarHBondContact O-NH2 2.99Å; G377-R382 VanDerWaalsContact O-NH2 3.08Å
378D81.8Confident79.6Confident79 Ų7995.6 Ų95.642%0.42245%0.453SS..  trans-62.3175.7150.465.915.6000112.1D367 D380 A381 R382D367-D378 PolarHBondContact OD2-N 3.31Å; D367-D378 VanDerWaalsContact OD2-N 3.17Å; D378-D380 VanDerWaalsContact C-N 3.29Å; D378-D380 PolarHBondContact O-N 3.48Å; D378-D380 PolarHBondContact OD1-N 2.88Å; D378-A381 WeakPolarHBondContact OD1-CB 3.09Å; D378-A381 PolarHBondContact OD1-N 3.33Å; D378-R382 WeakPolarHBondContact O-CD 3.35Å; D378-R382 VanDerWaalsContact O-CG 3.29Å; D378-R382 WeakPolarHBondContact O-CG 3.37Å; D378-R382 PolarHBondContact O-N 3.49Å
379M78.1Confident79.6Confident135 Ų13594.3 Ų94.367%0.66544%0.444SS*.Hα-helixtrans-64.4-36.6-178.8-74.4-65.6-169.500112.1R382 D383M379-R382 PolarHBondContact O-N 2.71Å; M379-D383 WeakPolarHBondContact O-CB 3.41Å; M379-D383 PolarHBondContact O-N 3.07Å
380D78.4Confident79.3Confident124 Ų12496 Ų9666%0.66345%0.449SS*.Hα-helixtrans-73.5-41.9-173-68-16.8000111.5D378 R382 D383 Y384D378-D380 VanDerWaalsContact C-N 3.29Å; D378-D380 PolarHBondContact O-N 3.48Å; D378-D380 PolarHBondContact OD1-N 2.88Å; D380-R382 VanDerWaalsContact C-N 3.33Å; D380-R382 PolarHBondContact O-N 2.97Å; D380-D383 PolarHBondContact O-N 3.46Å; D380-Y384 VanDerWaalsContact O-CB 3.28Å; D380-Y384 WeakPolarHBondContact O-CB 3.43Å; D380-Y384 PolarHBondContact O-N 3.36Å
381A80.6Confident79Confident19 Ų19101 Ų10116%0.15747%0.467CS..Hα-helixtrans-62.9-39.6174.600000111.7V370 D378 I385V370-A381 HydrophobicContact CG2-CB 3.55Å; D378-A381 WeakPolarHBondContact OD1-CB 3.09Å; D378-A381 PolarHBondContact OD1-N 3.33Å; A381-I385 PolarHBondContact O-N 3.23Å; A381-I385 VanDerWaalsContact O-N 3.16Å
382R81.9Confident78.9Confident99 Ų99100.3 Ų100.337%0.37446%0.464SS..Hα-helixtrans-67.1-44.9175.6-69.9173-178.9160.63.6112V370 D375 G376 G377 D378 M379 D380 Y384 I385 K386V370-R382 HydrophobicContact CG1-CG 4.36Å; V370-R382 HydrophobicContact CG2-CG 3.97Å; D375-R382 PolarHBondContact O-NH2 2.98Å; G376-R382 PolarHBondContact O-NE 2.65Å; G376-R382 PolarHBondContact O-NH2 2.86Å; G377-R382 PolarHBondContact O-NE 3.35Å; G377-R382 VanDerWaalsContact O-NE 3.14Å; G377-R382 PolarHBondContact O-NH2 2.99Å; G377-R382 VanDerWaalsContact O-NH2 3.08Å; D378-R382 WeakPolarHBondContact O-CD 3.35Å; D378-R382 VanDerWaalsContact O-CG 3.29Å; D378-R382 WeakPolarHBondContact O-CG 3.37Å; D378-R382 PolarHBondContact O-N 3.49Å; M379-R382 PolarHBondContact O-N 2.71Å; D380-R382 VanDerWaalsContact C-N 3.33Å; D380-R382 PolarHBondContact O-N 2.97Å; R382-Y384 VanDerWaalsContact C-N 3.35Å; R382-I385 PolarHBondContact O-N 2.9Å; R382-K386 WeakPolarHBondContact O-CB 3.43Å; R382-K386 PolarHBondContact O-N 3.45Å
383D80.8Confident78.5Confident85 Ų8592.5 Ų92.546%0.45544%0.435SS..Hα-helixtrans-66.7-37.2178.4-88.7-5.9000111.7M379 D380 I385 K386 M387M379-D383 WeakPolarHBondContact O-CB 3.41Å; M379-D383 PolarHBondContact O-N 3.07Å; D380-D383 PolarHBondContact O-N 3.46Å; D383-I385 PolarHBondContact O-N 3.23Å; D383-K386 PolarHBondContact O-N 3.28Å; D383-M387 WeakPolarHBondContact O-CG 3.39Å; D383-M387 PolarHBondContact O-N 2.7Å
384Y80.8Confident77.8Confident128 Ų12894.1 Ų94.150%0.50243%0.434SS..Hα-helixtrans-58.3-47.8172.9178-99.5000112.2D380 R382 K386 M387 R388D380-Y384 VanDerWaalsContact O-CB 3.28Å; D380-Y384 WeakPolarHBondContact O-CB 3.43Å; D380-Y384 PolarHBondContact O-N 3.36Å; R382-Y384 VanDerWaalsContact C-N 3.35Å; Y384-K386 VanDerWaalsContact C-N 3.34Å; Y384-K386 PolarHBondContact O-N 2.91Å; Y384-M387 PolarHBondContact O-N 3.15Å; Y384-R388 WeakPolarHBondContact O-CB 3.21Å; Y384-R388 PolarHBondContact O-N 2.91Å
385I82.3Confident77.8Confident43 Ų4390.2 Ų90.222%0.22142%0.422CS..Hα-helixtrans-66.2-38.3178.6-74.5164.6000111.3V370 Y371 A381 R382 D383 R388 Y389V370-I385 HydrophobicContact CB-CD1 3.53Å; V370-I385 HydrophobicContact CG1-CD1 3.19Å; V370-I385 HydrophobicContact CG1-CG1 4.44Å; V370-I385 HydrophobicContact CG2-CD1 4.3Å; Y371-I385 HydrophobicContact CD1-CD1 4.31Å; Y371-I385 HydrophobicContact CD2-CD1 4.36Å; Y371-I385 HydrophobicContact CE1-CD1 3.9Å; Y371-I385 HydrophobicContact CE1-CG1 4.28Å; Y371-I385 HydrophobicContact CE2-CD1 3.96Å; A381-I385 PolarHBondContact O-N 3.23Å; A381-I385 VanDerWaalsContact O-N 3.16Å; R382-I385 PolarHBondContact O-N 2.9Å; D383-I385 PolarHBondContact O-N 3.23Å; I385-R388 PolarHBondContact O-N 3Å; I385-Y389 WeakPolarHBondContact O-CB 2.92Å; I385-Y389 PolarHBondContact O-N 3.06Å
386K80.4Confident77.4Confident146 Ų14686.5 Ų86.564%0.63542%0.416SS*.Hα-helixtrans-62.6-45.4174.9-173-180179.5-176.60112.2R382 D383 Y384 R388 Y389 E390R382-K386 WeakPolarHBondContact O-CB 3.43Å; R382-K386 PolarHBondContact O-N 3.45Å; D383-K386 PolarHBondContact O-N 3.28Å; Y384-K386 VanDerWaalsContact C-N 3.34Å; Y384-K386 PolarHBondContact O-N 2.91Å; K386-R388 VanDerWaalsContact C-N 3.34Å; K386-R388 PolarHBondContact O-N 3.46Å; K386-Y389 PolarHBondContact O-N 2.77Å; K386-E390 PolarHBondContact O-N 2.94Å
387M78.5Confident76.8Confident119 Ų11991.4 Ų91.459%0.58644%0.444SS*.Hα-helixtrans-62-42.1175-73.9-171.2-71.700111.7D383 Y384 Y389 E390 K391D383-M387 WeakPolarHBondContact O-CG 3.39Å; D383-M387 PolarHBondContact O-N 2.7Å; Y384-M387 PolarHBondContact O-N 3.15Å; M387-Y389 VanDerWaalsContact C-N 3.33Å; M387-Y389 PolarHBondContact O-N 3.13Å; M387-E390 PolarHBondContact O-N 3.12Å; M387-K391 WeakPolarHBondContact O-CB 3.3Å; M387-K391 PolarHBondContact O-N 3.35Å
388R80.3Confident76Confident127 Ų12793.1 Ų93.148%0.47945%0.449SS..Hα-helixtrans-65.1-37.2177.4-168.5178.1-178.5173.82.5112.1Y384 I385 K386 R392Y384-R388 WeakPolarHBondContact O-CB 3.21Å; Y384-R388 PolarHBondContact O-N 2.91Å; I385-R388 PolarHBondContact O-N 3Å; K386-R388 VanDerWaalsContact C-N 3.34Å; K386-R388 PolarHBondContact O-N 3.46Å; R388-R392 WeakPolarHBondContact O-CG 3.36Å; R388-R392 PolarHBondContact O-N 3.48Å; R388-R392 VanDerWaalsContact O-N 3.12Å
389Y75.6Confident74.7Confident69 Ų6995.9 Ų95.927%0.27146%0.464SS..Hα-helixtrans-64.7-46.5173.2-176.2-106.1000111.5I385 K386 M387 K391 R392 L393 E398I385-Y389 WeakPolarHBondContact O-CB 2.92Å; I385-Y389 PolarHBondContact O-N 3.06Å; K386-Y389 PolarHBondContact O-N 2.77Å; M387-Y389 VanDerWaalsContact C-N 3.33Å; M387-Y389 PolarHBondContact O-N 3.13Å; Y389-K391 VanDerWaalsContact C-N 3.3Å; Y389-K391 PolarHBondContact O-N 2.88Å; Y389-R392 PolarHBondContact O-N 3.09Å; Y389-L393 HydrophobicContact CD1-CD1 3.8Å; Y389-L393 HydrophobicContact CD1-CG 4.44Å; Y389-L393 HydrophobicContact CE1-CD1 3.42Å; Y389-L393 VanDerWaalsContact CE1-CD1 3.42Å; Y389-L393 HydrophobicContact CE1-CG 4.1Å; Y389-L393 PolarHBondContact O-N 3.16Å; Y389-E398 HydrophobicContact CE2-CG 4.41Å; Y389-E398 WeakPolarHBondContact CE2-OE2 3.45Å
390E73.3Confident73.7Confident64 Ų6491.9 Ų91.930%0.29946%0.457SS..Hα-helixtrans-60.1-39.9176.5-161.5-140169.100112.3K386 M387 L393 R394 R455K386-E390 PolarHBondContact O-N 2.94Å; M387-E390 PolarHBondContact O-N 3.12Å; E390-L393 WeakPolarHBondContact O-CB 3.44Å; E390-L393 PolarHBondContact O-N 3.01Å; E390-R394 VanDerWaalsContact CD-NH2 3.34Å; E390-R394 WeakPolarHBondContact O-CG 3.4Å; E390-R394 PolarHBondContact O-N 3.29Å; E390-R394 IonicContact OE1-CZ 3.3Å; E390-R394 IonicContact OE1-NE 3.68Å; E390-R394 PolarHBondContact OE1-NE 2.99Å; E390-R394 IonicContact OE1-NH2 3.64Å; E390-R394 PolarHBondContact OE1-NH2 3.48Å; E390-R394 IonicContact OE2-CZ 3.28Å; E390-R394 IonicContact OE2-NE 3.56Å; E390-R394 IonicContact OE2-NH2 2.71Å; E390-R394 PolarHBondContact OE2-NH2 3.29Å; E390-R455 IonicContact OE1-NH1 3.69Å
391K75.3Confident72.4Confident135 Ų13590.7 Ų90.759%0.58746%0.458SS*.Hα-helixtrans-63.6-42.8176.2-170.3173.7-178.91780111.9M387 Y389 L393 R394 D395M387-K391 WeakPolarHBondContact O-CB 3.3Å; M387-K391 PolarHBondContact O-N 3.35Å; Y389-K391 VanDerWaalsContact C-N 3.3Å; Y389-K391 PolarHBondContact O-N 2.88Å; K391-L393 VanDerWaalsContact C-N 3.35Å; K391-L393 PolarHBondContact O-N 2.84Å; K391-R394 WeakPolarHBondContact O-CB 3.4Å; K391-R394 PolarHBondContact O-N 3.36Å; K391-R394 VanDerWaalsContact O-N 3.13Å; K391-D395 VanDerWaalsContact O-CG 3.25Å; K391-D395 PolarHBondContact O-N 3.09Å
392R75.8Confident71Confident95 Ų9591.1 Ų91.136%0.35846%0.464SS..Hα-helixtrans-67.4-33.3176.2-72.1-172.2-72.3151.91.7113.1R388 Y389 D395 G396 V397 E398R388-R392 WeakPolarHBondContact O-CG 3.36Å; R388-R392 PolarHBondContact O-N 3.48Å; R388-R392 VanDerWaalsContact O-N 3.12Å; Y389-R392 PolarHBondContact O-N 3.09Å; R392-D395 PolarHBondContact O-N 3.4Å; R392-G396 PolarHBondContact O-N 2.95Å; R392-V397 PolarHBondContact O-N 2.88Å; R392-V397 VanDerWaalsContact O-N 3.09Å; R392-E398 HydrophobicContact CB-CB 4.41Å; R392-E398 HydrophobicContact CB-CG 3.73Å; R392-E398 IonicContact CZ-OE1 3.46Å; R392-E398 VanDerWaalsContact CZ-OE1 3.28Å; R392-E398 IonicContact NH1-OE1 2.77Å; R392-E398 PolarHBondContact NH1-OE1 3.28Å; R392-E398 IonicContact NH2-OE1 3.55Å; R392-E398 PolarHBondContact O-N 3.23Å
393L70.8Confident69.2Low26 Ų2693.5 Ų93.514%0.13648%0.48CS..Hα-helixtrans-64.7-38.9169-76.1171.8000111.9Y389 E390 K391 G396 E398 H460Y389-L393 HydrophobicContact CD1-CD1 3.8Å; Y389-L393 HydrophobicContact CD1-CG 4.44Å; Y389-L393 HydrophobicContact CE1-CD1 3.42Å; Y389-L393 VanDerWaalsContact CE1-CD1 3.42Å; Y389-L393 HydrophobicContact CE1-CG 4.1Å; Y389-L393 PolarHBondContact O-N 3.16Å; E390-L393 WeakPolarHBondContact O-CB 3.44Å; E390-L393 PolarHBondContact O-N 3.01Å; K391-L393 VanDerWaalsContact C-N 3.35Å; K391-L393 PolarHBondContact O-N 2.84Å; L393-G396 PolarHBondContact O-N 3.25Å; L393-E398 HydrophobicContact CD2-CB 4Å; L393-E398 HydrophobicContact CG-CB 4.37Å; L393-H460 HydrophobicContact CB-CB 4.29Å
394R68.4Low67.8Low133 Ų13396 Ų9650%0.50249%0.493SS..Hα-helixtrans-64-40.3174.7-75.5166.7179.6-159.39.3112.8E390 K391 G396 H460E390-R394 VanDerWaalsContact CD-NH2 3.34Å; E390-R394 WeakPolarHBondContact O-CG 3.4Å; E390-R394 PolarHBondContact O-N 3.29Å; E390-R394 IonicContact OE1-CZ 3.3Å; E390-R394 IonicContact OE1-NE 3.68Å; E390-R394 PolarHBondContact OE1-NE 2.99Å; E390-R394 IonicContact OE1-NH2 3.64Å; E390-R394 PolarHBondContact OE1-NH2 3.48Å; E390-R394 IonicContact OE2-CZ 3.28Å; E390-R394 IonicContact OE2-NE 3.56Å; E390-R394 IonicContact OE2-NH2 2.71Å; E390-R394 PolarHBondContact OE2-NH2 3.29Å; K391-R394 WeakPolarHBondContact O-CB 3.4Å; K391-R394 PolarHBondContact O-N 3.36Å; K391-R394 VanDerWaalsContact O-N 3.13Å; R394-G396 PolarHBondContact O-N 3.5Å; R394-H460 WeakPolarHBondContact CA-O 3.35Å; R394-H460 WeakPolarHBondContact CB-O 3.13Å; R394-H460 WeakPolarHBondContact CG-O 3.4Å
395D72.8Confident66.5Low106 Ų10693.6 Ų93.657%0.56749%0.486SS*.THydrogen-bonded Turntrans-76-5.3179.4-62.9-21.3000112.4K391 R392 V397K391-D395 VanDerWaalsContact O-CG 3.25Å; K391-D395 PolarHBondContact O-N 3.09Å; R392-D395 PolarHBondContact O-N 3.4Å; D395-V397 HydrophobicContact CB-CG2 3.99Å; D395-V397 PolarHBondContact O-N 2.91Å
396G67.6Low65.2Low61 Ų6195.6 Ų95.663%0.62950%0.504SS*.THydrogen-bonded Turntrans68.618.8179.800000113.9R392 L393 R394R392-G396 PolarHBondContact O-N 2.95Å; L393-G396 PolarHBondContact O-N 3.25Å; R394-G396 PolarHBondContact O-N 3.5Å
397V67.8Low64Low115 Ų11593.8 Ų93.870%0.69750%0.5SS*.  trans-86.5-26.9-178.9179.30000111.3R392 D395R392-V397 PolarHBondContact O-N 2.88Å; R392-V397 VanDerWaalsContact O-N 3.09Å; D395-V397 HydrophobicContact CB-CG2 3.99Å; D395-V397 PolarHBondContact O-N 2.91Å
398E64Low62.9Low47 Ų4789.1 Ų89.122%0.2248%0.483CS..SBendtrans-103.5125.3173.2-74.8-99.2172.700109.3Y389 R392 L393Y389-E398 HydrophobicContact CE2-CG 4.41Å; Y389-E398 WeakPolarHBondContact CE2-OE2 3.45Å; R392-E398 HydrophobicContact CB-CB 4.41Å; R392-E398 HydrophobicContact CB-CG 3.73Å; R392-E398 IonicContact CZ-OE1 3.46Å; R392-E398 VanDerWaalsContact CZ-OE1 3.28Å; R392-E398 IonicContact NH1-OE1 2.77Å; R392-E398 PolarHBondContact NH1-OE1 3.28Å; R392-E398 IonicContact NH2-OE1 3.55Å; R392-E398 PolarHBondContact O-N 3.23Å; L393-E398 HydrophobicContact CD2-CB 4Å; L393-E398 HydrophobicContact CG-CB 4.37Å
399D56.3Low61.9Low138 Ų13885 Ų8574%0.73847%0.474SS*.  trans-70.4127.1162.6-75.3-37.8000107.3S401 G402D399-S401 PolarHBondContact O-N 2.99Å; D399-G402 PolarHBondContact O-N 3.28Å; D399-G402 VanDerWaalsContact O-N 3.1Å
400G55.2Low61.3Low51 Ų5185.4 Ų85.453%0.52648%0.477SS..THydrogen-bonded Turntrans-56-0.6178.500000115.7G402G400-G402 VanDerWaalsContact C-N 3.33Å
401S52.8Low60.8Low98 Ų9883.5 Ų83.569%0.68547%0.468SS*.THydrogen-bonded Turntrans-81.6-1.5174.2175.60000114.2D399D399-S401 PolarHBondContact O-N 2.99Å
402G50.6Low60.4Low28 Ų2886.2 Ų86.229%0.28947%0.474SS..  trans-108.954.6-15900000117.5D399 G400D399-G402 PolarHBondContact O-N 3.28Å; D399-G402 VanDerWaalsContact O-N 3.1Å; G400-G402 VanDerWaalsContact C-N 3.33Å
403H44.6Very low59.8Low150 Ų15090.9 Ų90.969%0.69450%0.498SS*.SBendtrans-173.5105.3144.8-110.564.5000112Q405H403-Q405 VanDerWaalsContact C-N 3.31Å; H403-Q405 PolarHBondContact O-N 2.84Å
404N50.1Low59.9Low137 Ų13793.4 Ų93.473%0.73351%0.514SS*.  trans5329.6158.3-62.7-41.6000118.1S406N404-S406 PolarHBondContact O-N 2.76Å; N404-S406 VanDerWaalsContact O-N 3.12Å
405Q54.2Low60.2Low77 Ų7797 Ų9736%0.3653%0.534SS..  trans-76.799.8162-60.6-144.825.600107.7H403 I407 S409 E445H403-Q405 VanDerWaalsContact C-N 3.31Å; H403-Q405 PolarHBondContact O-N 2.84Å; Q405-I407 PolarHBondContact O-N 3.29Å; Q405-S409 PolarHBondContact OE1-OG 2.91Å; Q405-E445 PolarHBondContact NE2-OE1 2.75Å
406S54.6Low60.1Low85 Ų8592.8 Ų92.859%0.59452%0.515SS*.  trans-53.3111.5161.258.40000106.8N404 G408 S409N404-S406 PolarHBondContact O-N 2.76Å; N404-S406 VanDerWaalsContact O-N 3.12Å; S406-G408 CarbonylContact O-C 3.56Å; S406-G408 PolarHBondContact O-N 2.79Å; S406-S409 PolarHBondContact O-N 3.11Å; S406-S409 VanDerWaalsContact O-N 3.09Å
407I54.4Low60.5Low108 Ų10897.5 Ų97.555%0.55452%0.518SS*.SBendtrans-43.4117.9178.4-79.3149.8000108.6Q405 W427 D429Q405-I407 PolarHBondContact O-N 3.29Å; I407-W427 HydrophobicContact CG2-CH2 4.28Å; I407-W427 HydrophobicContact CG2-CZ2 4.31Å; I407-D429 HydrophobicContact CG2-CB 3.97Å
408G56.2Low60.8Low22 Ų2293.2 Ų93.223%0.22750%0.497CS..  trans106.319.5-16700000116S406 F410 E411S406-G408 CarbonylContact O-C 3.56Å; S406-G408 PolarHBondContact O-N 2.79Å; G408-F410 PolarHBondContact O-N 3.35Å; G408-F410 VanDerWaalsContact O-N 3.13Å; G408-E411 PolarHBondContact O-N 3.45Å
409S58.8Low61.4Low40 Ų4095.5 Ų95.528%0.2850%0.504SS..G310 helixtrans-53.3-31.3175.2600000113.2Q405 S406 E411 R412Q405-S409 PolarHBondContact OE1-OG 2.91Å; S406-S409 PolarHBondContact O-N 3.11Å; S406-S409 VanDerWaalsContact O-N 3.09Å; S409-E411 PolarHBondContact O-N 3.32Å; S409-E411 VanDerWaalsContact O-N 3.15Å; S409-R412 PolarHBondContact O-N 3.44Å
410F63.1Low62.5Low77 Ų7797.5 Ų97.534%0.33850%0.501SS..G310 helixtrans-61.2-17.7174.472.5-89.1000114.2G408 M422 A443G408-F410 PolarHBondContact O-N 3.35Å; G408-F410 VanDerWaalsContact O-N 3.13Å; F410-M422 HydrophobicContact CD2-CE 4.27Å; F410-M422 HydrophobicContact CE2-CE 3.41Å; F410-M422 VanDerWaalsContact CE2-CE 3.41Å; F410-M422 HydrophobicContact CE2-SD 4.31Å; F410-M422 HydrophobicContact CZ-CE 3.6Å; F410-M422 HydrophobicContact CZ-SD 3.88Å; F410-A443 HydrophobicContact CD1-CB 4.26Å
411E63.2Low63.7Low25 Ų2597.4 Ų97.412%0.11749%0.49CS..G310 helixtrans-108.55.1178.9-59.5-156.6129.700114.9G408 S409 F413 T414 G416 G418 R419G408-E411 PolarHBondContact O-N 3.45Å; S409-E411 PolarHBondContact O-N 3.32Å; S409-E411 VanDerWaalsContact O-N 3.15Å; E411-F413 PolarHBondContact O-N 3.13Å; E411-T414 WeakPolarHBondContact CA-OG1 3.39Å; E411-T414 WeakPolarHBondContact CB-OG1 3.28Å; E411-T414 PolarHBondContact O-N 3.22Å; E411-T414 VanDerWaalsContact O-O 3.1Å; E411-T414 PolarHBondContact O-OG1 3.45Å; E411-G416 WeakPolarHBondContact OE1-CA 3.4Å; E411-G416 VanDerWaalsContact OE2-CA 3.3Å; E411-G416 WeakPolarHBondContact OE2-CA 3.27Å; E411-G418 WeakPolarHBondContact OE1-CA 3.45Å; E411-G418 PolarHBondContact OE1-N 3.15Å; E411-R419 VanDerWaalsContact CD-CB 3.46Å; E411-R419 PolarHBondContact OE1-N 3.06Å; E411-R419 WeakPolarHBondContact OE2-CB 3.34Å
412R66.1Low64.8Low191 Ų19195.3 Ų95.372%0.72147%0.47SS*.THydrogen-bonded Turntrans-48.9-31.4179-82.2176.769.6-178.91.7113.5S409S409-R412 PolarHBondContact O-N 3.44Å
413F64.4Low66.2Low193 Ų19398 Ų9885%0.84648%0.475SS*.THydrogen-bonded Turntrans-109.38.8-178.9-53.5-72.9000114.3E411E411-F413 PolarHBondContact O-N 3.13Å
414T72.2Confident67.9Low79 Ų7998.9 Ų98.949%0.48548%0.48SS..SBendtrans-124.1155.6-177.274.40000111.9E411 G416E411-T414 WeakPolarHBondContact CA-OG1 3.39Å; E411-T414 WeakPolarHBondContact CB-OG1 3.28Å; E411-T414 PolarHBondContact O-N 3.22Å; E411-T414 VanDerWaalsContact O-O 3.1Å; E411-T414 PolarHBondContact O-OG1 3.45Å; T414-G416 PolarHBondContact O-N 2.78Å
415K74.1Confident69.1Low210 Ų21098.1 Ų98.191%0.91347%0.472SS*.  trans-74.722.1-177.4-66.6-176.2178.3178.30114.5
416G70.8Confident70.1Confident16 Ų1696.3 Ų96.317%0.16547%0.473CS..SBendtrans75.322.5177.900000115.5E411 T414 R420E411-G416 WeakPolarHBondContact OE1-CA 3.4Å; E411-G416 VanDerWaalsContact OE2-CA 3.3Å; E411-G416 WeakPolarHBondContact OE2-CA 3.27Å; T414-G416 PolarHBondContact O-N 2.78Å; G416-R420 WeakPolarHBondContact O-CG 3.34Å; G416-R420 PolarHBondContact O-N 2.94Å
417F76.1Confident71.1Confident161 Ų16193.1 Ų93.171%0.70645%0.448SS*.Hα-helixtrans-72.4-38.1-179.3-176.1-95.8000111.8R420 V421F417-R420 PolarHBondContact O-N 3.27Å; F417-V421 HydrophobicContact CD1-CG2 4.23Å; F417-V421 HydrophobicContact CE1-CG2 3.82Å; F417-V421 HydrophobicContact CZ-CG2 4Å; F417-V421 WeakPolarHBondContact O-CG2 3.45Å; F417-V421 PolarHBondContact O-N 3.09Å; F417-V421 VanDerWaalsContact O-N 3.16Å
418G74.6Confident71.9Confident24 Ų2495.2 Ų95.225%0.24745%0.449CS..Hα-helixtrans-63.8-46.8178.900000111.3E411 R420 V421 M422E411-G418 WeakPolarHBondContact OE1-CA 3.45Å; E411-G418 PolarHBondContact OE1-N 3.15Å; G418-R420 PolarHBondContact O-N 3.23Å; G418-V421 PolarHBondContact O-N 3.23Å; G418-M422 VanDerWaalsContact O-CG 3.29Å; G418-M422 WeakPolarHBondContact O-CG 3.39Å; G418-M422 PolarHBondContact O-N 3.08Å
419R77.4Confident72.4Confident95 Ų9598.3 Ų98.336%0.35846%0.46SS..Hα-helixtrans-57.7-47.6175.6170.8177.8-177.6156.822.1111.9E411 V421 M422 E423 W427 D429E411-R419 VanDerWaalsContact CD-CB 3.46Å; E411-R419 PolarHBondContact OE1-N 3.06Å; E411-R419 WeakPolarHBondContact OE2-CB 3.34Å; R419-V421 VanDerWaalsContact C-N 3.27Å; R419-V421 PolarHBondContact O-N 3.37Å; R419-M422 PolarHBondContact O-N 2.88Å; R419-E423 HydrophobicContact CG-CG 4.17Å; R419-E423 WeakPolarHBondContact CG-OE1 3.32Å; R419-E423 IonicContact CZ-OE1 3.95Å; R419-E423 IonicContact NE-OE1 3.6Å; R419-E423 PolarHBondContact NE-OE1 3.26Å; R419-E423 IonicContact NH2-OE1 3Å; R419-E423 PolarHBondContact NH2-OE1 3.36Å; R419-E423 WeakPolarHBondContact O-CB 3.29Å; R419-E423 VanDerWaalsContact O-CG 3.29Å; R419-E423 WeakPolarHBondContact O-CG 3.1Å; R419-E423 PolarHBondContact O-N 2.98Å; R419-W427 HydrophobicContact CG-CZ3 4.15Å; R419-D429 IonicContact CZ-OD2 3.87Å; R419-D429 IonicContact NH2-OD1 2.82Å; R419-D429 IonicContact NH2-OD2 3.8Å; R419-D429 PolarHBondContact NH2-OD2 3.48Å
420R78.4Confident72.8Confident180 Ų18098.5 Ų98.568%0.67947%0.469SS*.Hα-helixtrans-59.7-39.1177.5-75.8177.8-178-179.22.1112.5G416 F417 G418 Q424G416-R420 WeakPolarHBondContact O-CG 3.34Å; G416-R420 PolarHBondContact O-N 2.94Å; F417-R420 PolarHBondContact O-N 3.27Å; G418-R420 PolarHBondContact O-N 3.23Å; R420-Q424 WeakPolarHBondContact O-CB 3.33Å; R420-Q424 PolarHBondContact O-N 3.26Å; R420-Q424 VanDerWaalsContact O-N 3.07Å
421V81.1Confident73.1Confident50 Ų5097.4 Ų97.430%0.30347%0.465SS..Hα-helixtrans-70.5-40.7177173.60000111.1F417 G418 R419 Q424 Q425F417-V421 HydrophobicContact CD1-CG2 4.23Å; F417-V421 HydrophobicContact CE1-CG2 3.82Å; F417-V421 HydrophobicContact CZ-CG2 4Å; F417-V421 WeakPolarHBondContact O-CG2 3.45Å; F417-V421 PolarHBondContact O-N 3.09Å; F417-V421 VanDerWaalsContact O-N 3.16Å; G418-V421 PolarHBondContact O-N 3.23Å; R419-V421 VanDerWaalsContact C-N 3.27Å; R419-V421 PolarHBondContact O-N 3.37Å; V421-Q424 PolarHBondContact O-N 2.89Å; V421-Q425 WeakPolarHBondContact O-CG 3.43Å; V421-Q425 PolarHBondContact O-N 2.99Å; V421-Q425 VanDerWaalsContact O-N 3.12Å
422M76Confident73.4Confident54 Ų5496.3 Ų96.327%0.26646%0.461SS..Hα-helixtrans-67-43.7177.1-68.5-175-14700111.8F410 G418 R419 Q424 Q425 G426 W427 L433F410-M422 HydrophobicContact CD2-CE 4.27Å; F410-M422 HydrophobicContact CE2-CE 3.41Å; F410-M422 VanDerWaalsContact CE2-CE 3.41Å; F410-M422 HydrophobicContact CE2-SD 4.31Å; F410-M422 HydrophobicContact CZ-CE 3.6Å; F410-M422 HydrophobicContact CZ-SD 3.88Å; G418-M422 VanDerWaalsContact O-CG 3.29Å; G418-M422 WeakPolarHBondContact O-CG 3.39Å; G418-M422 PolarHBondContact O-N 3.08Å; R419-M422 PolarHBondContact O-N 2.88Å; M422-Q424 VanDerWaalsContact C-N 3.28Å; M422-Q424 PolarHBondContact O-N 2.76Å; M422-Q425 CarbonylContact O-C 3.35Å; M422-Q425 WeakPolarHBondContact O-CA 3.37Å; M422-Q425 PolarHBondContact O-N 2.82Å; M422-G426 PolarHBondContact O-N 3.45Å; M422-G426 VanDerWaalsContact O-N 3.16Å; M422-W427 HydrophobicContact CB-CB 3.78Å; M422-W427 HydrophobicContact CB-CD2 4.15Å; M422-W427 HydrophobicContact CB-CE3 4.14Å; M422-W427 HydrophobicContact CB-CG 4.04Å; M422-W427 WeakPolarHBondContact O-CB 3.25Å; M422-W427 PolarHBondContact O-N 2.63Å; M422-L433 HydrophobicContact CB-CD1 3.83Å; M422-L433 HydrophobicContact CG-CD1 3.62Å; M422-L433 HydrophobicContact SD-CD1 4.06Å
423E79.6Confident73.5Confident85 Ų8591.1 Ų91.140%0.39745%0.446SS..Hα-helixtrans-58.5-40.7173.7-75.4174.5175.700111.2R419 Q425 G426 W427R419-E423 HydrophobicContact CG-CG 4.17Å; R419-E423 WeakPolarHBondContact CG-OE1 3.32Å; R419-E423 IonicContact CZ-OE1 3.95Å; R419-E423 IonicContact NE-OE1 3.6Å; R419-E423 PolarHBondContact NE-OE1 3.26Å; R419-E423 IonicContact NH2-OE1 3Å; R419-E423 PolarHBondContact NH2-OE1 3.36Å; R419-E423 WeakPolarHBondContact O-CB 3.29Å; R419-E423 VanDerWaalsContact O-CG 3.29Å; R419-E423 WeakPolarHBondContact O-CG 3.1Å; R419-E423 PolarHBondContact O-N 2.98Å; E423-Q425 PolarHBondContact O-N 2.84Å; E423-G426 PolarHBondContact O-N 3.44Å; E423-W427 WeakPolarHBondContact CA-O 3.48Å; E423-W427 HydrophobicContact CG-CE3 4.16Å
424Q80.4Confident73.7Confident167 Ų16782.9 Ų82.978%0.7842%0.416SS*.Hα-helixtrans-65.4-26.7174.7-167.2173.720.900112.8R420 V421 M422 G426R420-Q424 WeakPolarHBondContact O-CB 3.33Å; R420-Q424 PolarHBondContact O-N 3.26Å; R420-Q424 VanDerWaalsContact O-N 3.07Å; V421-Q424 PolarHBondContact O-N 2.89Å; M422-Q424 VanDerWaalsContact C-N 3.28Å; M422-Q424 PolarHBondContact O-N 2.76Å; Q424-G426 VanDerWaalsContact C-N 3.31Å
425Q76.1Confident73.1Confident122 Ų12285.4 Ų85.457%0.5744%0.437SS*.THydrogen-bonded Turntrans-90.79.9174.1-66.5-17710.100113.2V421 M422 E423V421-Q425 WeakPolarHBondContact O-CG 3.43Å; V421-Q425 PolarHBondContact O-N 2.99Å; V421-Q425 VanDerWaalsContact O-N 3.12Å; M422-Q425 CarbonylContact O-C 3.35Å; M422-Q425 WeakPolarHBondContact O-CA 3.37Å; M422-Q425 PolarHBondContact O-N 2.82Å; E423-Q425 PolarHBondContact O-N 2.84Å
426G73.4Confident72.6Confident38 Ų3879.6 Ų79.639%0.39242%0.423SS..THydrogen-bonded Turntrans91.114.717300000115.1M422 E423 Q424M422-G426 PolarHBondContact O-N 3.45Å; M422-G426 VanDerWaalsContact O-N 3.16Å; E423-G426 PolarHBondContact O-N 3.44Å; Q424-G426 VanDerWaalsContact C-N 3.31Å
427W76.1Confident72.3Confident19 Ų1984.1 Ų84.17%0.07244%0.44CS..  trans-77.8141.7172.6-177.779.3000111.4I407 R419 M422 E423 D429 E431 L433I407-W427 HydrophobicContact CG2-CH2 4.28Å; I407-W427 HydrophobicContact CG2-CZ2 4.31Å; R419-W427 HydrophobicContact CG-CZ3 4.15Å; M422-W427 HydrophobicContact CB-CB 3.78Å; M422-W427 HydrophobicContact CB-CD2 4.15Å; M422-W427 HydrophobicContact CB-CE3 4.14Å; M422-W427 HydrophobicContact CB-CG 4.04Å; M422-W427 WeakPolarHBondContact O-CB 3.25Å; M422-W427 PolarHBondContact O-N 2.63Å; E423-W427 WeakPolarHBondContact CA-O 3.48Å; E423-W427 HydrophobicContact CG-CE3 4.16Å; W427-D429 WeakPolarHBondContact CH2-OD1 2.95Å; W427-D429 VanDerWaalsContact CZ3-OD1 3.25Å; W427-D429 WeakPolarHBondContact CZ3-OD1 3.35Å; W427-E431 VanDerWaalsContact CD1-O 3.23Å; W427-E431 PolarHBondContact NE1-O 3.14Å; W427-L433 HydrophobicContact CB-CB 4.49Å; W427-L433 HydrophobicContact CB-CD1 4.04Å; W427-L433 HydrophobicContact CB-CG 4.2Å; W427-L433 HydrophobicContact CG-CD1 4.33Å
428R71.4Confident71.6Confident152 Ų15283 Ų8357%0.57445%0.446SS*.BIsolated β-bridgetrans-135.3151.7174.4-65.9175.865.7-136.41.2108.7G430 E431R428-G430 PolarHBondContact O-N 3.08Å; R428-E431 HydrophobicContact CB-CB 4.27Å; R428-E431 IonicContact CZ-OE1 3.77Å; R428-E431 IonicContact NH1-OE1 2.67Å; R428-E431 PolarHBondContact NH1-OE1 2.93Å; R428-E431 IonicContact NH1-OE2 3.16Å; R428-E431 PolarHBondContact NH1-OE2 3.37Å; R428-E431 PolarHBondContact O-N 2.7Å
429D67.7Low70.9Confident86 Ų8683.4 Ų83.446%0.4645%0.45SS..THydrogen-bonded Turntrans-54.6111179.1-64.9-16.7000110I407 R419 W427I407-D429 HydrophobicContact CG2-CB 3.97Å; R419-D429 IonicContact CZ-OD2 3.87Å; R419-D429 IonicContact NH2-OD1 2.82Å; R419-D429 IonicContact NH2-OD2 3.8Å; R419-D429 PolarHBondContact NH2-OD2 3.48Å; W427-D429 WeakPolarHBondContact CH2-OD1 2.95Å; W427-D429 VanDerWaalsContact CZ3-OD1 3.25Å; W427-D429 WeakPolarHBondContact CZ3-OD1 3.35Å
430G66.9Low70.3Confident45 Ų4584.5 Ų84.546%0.46446%0.461SS..THydrogen-bonded Turntrans93.8-3.5-177.700000116.4R428R428-G430 PolarHBondContact O-N 3.08Å
431E69.5Low69.5Low54 Ų5479.3 Ų79.325%0.25245%0.451SS..BIsolated β-bridgetrans-112.2145.3176.2-67.6177.6-175.900111W427 R428 Q437W427-E431 VanDerWaalsContact CD1-O 3.23Å; W427-E431 PolarHBondContact NE1-O 3.14Å; R428-E431 HydrophobicContact CB-CB 4.27Å; R428-E431 IonicContact CZ-OE1 3.77Å; R428-E431 IonicContact NH1-OE1 2.67Å; R428-E431 PolarHBondContact NH1-OE1 2.93Å; R428-E431 IonicContact NH1-OE2 3.16Å; R428-E431 PolarHBondContact NH1-OE2 3.37Å; R428-E431 PolarHBondContact O-N 2.7Å; E431-Q437 PolarHBondContact OE2-NE2 3.18Å
432G67.9Low68.7Low2 Ų280.7 Ų80.72%0.02145%0.454CS..  trans-66152.8177.400000113G439G432-G439 WeakPolarHBondContact CA-O 3.06Å
433L70.1Confident68.2Low81 Ų8181 Ų8142%0.42447%0.465SS..SBendtrans-70.9132.4-179.2-162.6135.6000111.8M422 W427M422-L433 HydrophobicContact CB-CD1 3.83Å; M422-L433 HydrophobicContact CG-CD1 3.62Å; M422-L433 HydrophobicContact SD-CD1 4.06Å; W427-L433 HydrophobicContact CB-CB 4.49Å; W427-L433 HydrophobicContact CB-CD1 4.04Å; W427-L433 HydrophobicContact CB-CG 4.2Å; W427-L433 HydrophobicContact CG-CD1 4.33Å
434G66.6Low67.5Low21 Ų2182 Ų8222%0.21647%0.473CS..SBendtrans109.5161.4176.700000114.7S436 Q437G434-S436 PolarHBondContact O-N 3.02Å; G434-S436 VanDerWaalsContact O-N 3.11Å; G434-Q437 PolarHBondContact O-N 3.14Å; G434-Q437 VanDerWaalsContact O-N 3.16Å
435S61.5Low66.4Low132 Ų13279.2 Ų79.292%0.92346%0.46SS*.THydrogen-bonded Turntrans-65.8-15.9-171.158.10000115.3
436S63.7Low65.5Low88 Ų8880.7 Ų80.762%0.61547%0.472SS*.THydrogen-bonded Turntrans-92.3-5.2178.457.50000114G434 V438G434-S436 PolarHBondContact O-N 3.02Å; G434-S436 VanDerWaalsContact O-N 3.11Å; S436-V438 VanDerWaalsContact O-CG2 3.28Å; S436-V438 WeakPolarHBondContact O-CG2 3.45Å; S436-V438 PolarHBondContact O-N 2.84Å
437Q63.1Low64.7Low111 Ų11184.3 Ų84.352%0.51948%0.478SS..  trans54.9-3-177.9-65.6175.9-26.900116.6E431 G434 G439E431-Q437 PolarHBondContact OE2-NE2 3.18Å; G434-Q437 PolarHBondContact O-N 3.14Å; G434-Q437 VanDerWaalsContact O-N 3.16Å; Q437-G439 PolarHBondContact O-N 2.55Å
438V61.4Low63.6Low138 Ų13885.9 Ų85.984%0.83650%0.501SS*.  trans-81.553.2177.2-165.20000111.7S436S436-V438 VanDerWaalsContact O-CG2 3.28Å; S436-V438 WeakPolarHBondContact O-CG2 3.45Å; S436-V438 PolarHBondContact O-N 2.84Å
439G61Low62.8Low31 Ų3184.7 Ų84.732%0.3250%0.502SS..SBendtrans-119.8159.2177.700000111.8G432 Q437 P441G432-G439 WeakPolarHBondContact CA-O 3.06Å; Q437-G439 PolarHBondContact O-N 2.55Å; G439-P441 WeakPolarHBondContact O-CD 3.35Å
440I63.9Low62.1Low118 Ų11886 Ų8661%0.60551%0.505SS*.  trans-62.4123172-55.4173.9000107.4E442 L444I440-E442 VanDerWaalsContact C-N 3.31Å; I440-E442 VanDerWaalsContact CG2-O 3.28Å; I440-E442 WeakPolarHBondContact CG2-O 3.47Å; I440-L444 HydrophobicContact CD1-CD1 4.38Å
441P62.9Low61.8Low72 Ų7289.3 Ų89.347%0.46852%0.518SS..SBendtrans-74.2-23.6-175.328.7-34.6000112.7G439G439-P441 WeakPolarHBondContact O-CD 3.35Å
442E62.7Low61.2Low79 Ų7994.4 Ų94.437%0.36954%0.542SS..SBendtrans-104.1136-179.7-170.3168.3-159.800111I440 L444I440-E442 VanDerWaalsContact C-N 3.31Å; I440-E442 VanDerWaalsContact CG2-O 3.28Å; I440-E442 WeakPolarHBondContact CG2-O 3.47Å; E442-L444 PolarHBondContact O-N 3.1Å
443A65.2Low60.7Low60 Ų6097.7 Ų97.750%0.49656%0.564SS.*PPolyproline II helixtrans-67.8126.9175.800000109.3F410 E445F410-A443 HydrophobicContact CD1-CB 4.26Å; A443-E445 PolarHBondContact O-N 3.17Å
444L65Low60.1Low107 Ų107102.1 Ų102.156%0.5658%0.579SS**PPolyproline II helixtrans-63.6125.5172.5-68.1168000109.1I440 E442I440-L444 HydrophobicContact CD1-CD1 4.38Å; E442-L444 PolarHBondContact O-N 3.1Å
445E58.1Low59.9Low107 Ų107104.6 Ų104.650%0.558%0.582SS.*PPolyproline II helixtrans-64149.5177.2-63-174170.700111.2Q405 A443 E447Q405-E445 PolarHBondContact NE2-OE1 2.75Å; A443-E445 PolarHBondContact O-N 3.17Å; E445-E447 HydrophobicContact CB-CG 4.35Å; E445-E447 PolarHBondContact O-N 3.47Å
446N56.4Low59.8Low154 Ų154100.1 Ų100.182%0.82456%0.556SS**  trans-7760.9173-172.517000110.3G448N446-G448 PolarHBondContact O-N 2.83Å
447E56.9Low59.6Low113 Ų113103 Ų10353%0.52856%0.558SS.*  trans-72.284.6164.8-68.4-119.5127.400106.9E445 Q449 R455E445-E447 HydrophobicContact CB-CG 4.35Å; E445-E447 PolarHBondContact O-N 3.47Å; E447-Q449 PolarHBondContact O-N 2.97Å; E447-R455 IonicContact OE2-CZ 2.93Å; E447-R455 IonicContact OE2-NH2 3.8Å; E447-R455 PolarHBondContact OE2-NH2 3.19Å
448G53.1Low59.4Low53 Ų53100.1 Ų100.155%0.54656%0.558SS.*  trans-52.8135.1-179.500000110.9N446 H450N446-G448 PolarHBondContact O-N 2.83Å; G448-H450 VanDerWaalsContact C-N 3.32Å; G448-H450 PolarHBondContact O-N 3.45Å
449Q54.9Low59.6Low127 Ų12797.5 Ų97.559%0.59353%0.534SS*.  trans-62.695.2171-76.1-176-8.800108.9E447E447-Q449 PolarHBondContact O-N 2.97Å
450H53.2Low59.6Low114 Ų11499.1 Ų99.153%0.52853%0.533SS..  trans-53.5134.1159.3-170.1-100.4000106.9G448 H452 C453G448-H450 VanDerWaalsContact C-N 3.32Å; G448-H450 PolarHBondContact O-N 3.45Å; H450-H452 AromaticContact CE1-CD2 3.72Å; H450-H452 PolarHBondContact O-N 3.01Å; H450-C453 HydrophobicContact CB-CB 4.09Å; H450-C453 PolarHBondContact O-N 2.85Å
451P60.9Low59.6Low114 Ų11494.7 Ų94.774%0.7452%0.517SS*.THydrogen-bonded Turntrans-53.6-21.3-174-29.835.4000114.9
452H56.5Low59.8Low161 Ų16199.5 Ų99.575%0.74553%0.533SS*.THydrogen-bonded Turntrans-94.9-14.3177-63-63.8000114.7H450 K454H450-H452 AromaticContact CE1-CD2 3.72Å; H450-H452 PolarHBondContact O-N 3.01Å; H452-K454 PolarHBondContact O-N 3Å
453C58.1Low59.9Low71 Ų71102.7 Ų102.748%0.4855%0.546SS..  trans-90.394.3176.2-72.70000110.2H450 R455H450-C453 HydrophobicContact CB-CB 4.09Å; H450-C453 PolarHBondContact O-N 2.85Å; C453-R455 PolarHBondContact O-N 2.73Å
454K57.9Low59.7Low174 Ų174105.5 Ų105.576%0.75755%0.552SS**  trans-76.525174.1-59.5-173.5179.6-172.30113.1H452H452-K454 PolarHBondContact O-N 3Å
455R61.9Low59.4Low73 Ų73105.7 Ų105.728%0.27556%0.557SS.*PPolyproline II helixtrans-78.2123.2177.6-167.9165.5137-145.8-31.4107E390 E447 C453 Y459 H460E390-R455 IonicContact OE1-NH1 3.69Å; E447-R455 IonicContact OE2-CZ 2.93Å; E447-R455 IonicContact OE2-NH2 3.8Å; E447-R455 PolarHBondContact OE2-NH2 3.19Å; C453-R455 PolarHBondContact O-N 2.73Å; R455-Y459 WeakPolarHBondContact CD-O 3.33Å; R455-Y459 WeakPolarHBondContact CG-O 3.49Å; R455-Y459 PolarHBondContact NE-O 3.17Å; R455-H460 PolarHBondContact NH2-CE1 3.17Å; R455-H460 PolarHBondContact NH2-ND1 2.78Å; R455-H460 VanDerWaalsContact NH2-ND1 3.11Å; R455-H460 PolarHBondContact NH2-NE2 2.98Å
456G59.1Low59.5Low37 Ų37108 Ų10838%0.38157%0.572SS.*PPolyproline II helixtrans-70163.1174.700000110.9G458 Y459G456-G458 PolarHBondContact O-N 3.26Å; G456-Y459 PolarHBondContact O-N 3.28Å; G456-Y459 VanDerWaalsContact O-N 3.16Å
457F58.8Low59.6Low150 Ų150108 Ų10866%0.65857%0.567SS**THydrogen-bonded Turntrans-52.6123.7173.8-72.4-74.8000110.5Y459F457-Y459 PolarHBondContact O-N 3.16Å
458G60.5Low59.5Low50 Ų50107.7 Ų107.752%0.51558%0.575SS.*THydrogen-bonded Turntrans69.47176.800000116.3G456 H460G456-G458 PolarHBondContact O-N 3.26Å; G458-H460 PolarHBondContact O-CD2 2.99Å
459Y64.6Low59.8Low83 Ų83111.1 Ų111.133%0.32559%0.585SS.*  trans-92.6109.3177.5-174.5-107.9000110.7R455 G456 F457 G461 E462 L464R455-Y459 WeakPolarHBondContact CD-O 3.33Å; R455-Y459 WeakPolarHBondContact CG-O 3.49Å; R455-Y459 PolarHBondContact NE-O 3.17Å; G456-Y459 PolarHBondContact O-N 3.28Å; G456-Y459 VanDerWaalsContact O-N 3.16Å; F457-Y459 PolarHBondContact O-N 3.16Å; Y459-G461 VanDerWaalsContact CE1-C 3.45Å; Y459-G461 WeakPolarHBondContact CE1-O 3.26Å; Y459-E462 WeakPolarHBondContact CE1-O 3.3Å; Y459-E462 PolarHBondContact OH-O 3.26Å; Y459-L464 HydrophobicContact CE1-CG 4.45Å; Y459-L464 HydrophobicContact CE2-CD1 4.26Å; Y459-L464 HydrophobicContact CE2-CG 4.46Å; Y459-L464 WeakPolarHBondContact OH-CG 3.15Å
460H62Low59.9Low64 Ų64114.8 Ų114.830%0.29660%0.598SS.*  trans-99.2-6178.9-66.4-103.5000113.8L393 R394 R455 G458L393-H460 HydrophobicContact CB-CB 4.29Å; R394-H460 WeakPolarHBondContact CA-O 3.35Å; R394-H460 WeakPolarHBondContact CB-O 3.13Å; R394-H460 WeakPolarHBondContact CG-O 3.4Å; R455-H460 PolarHBondContact NH2-CE1 3.17Å; R455-H460 PolarHBondContact NH2-ND1 2.78Å; R455-H460 VanDerWaalsContact NH2-ND1 3.11Å; R455-H460 PolarHBondContact NH2-NE2 2.98Å; G458-H460 PolarHBondContact O-CD2 2.99Å
461G63.9Low60.2Low26 Ų26118 Ų11827%0.26861%0.611SS.*SBendtrans-83.3-175.6-173.900000117.1Y459Y459-G461 VanDerWaalsContact CE1-C 3.45Å; Y459-G461 WeakPolarHBondContact CE1-O 3.26Å
462E66.1Low60.1Low173 Ų173116.7 Ų116.781%0.80861%0.61SS**SBendtrans-61.4135.2175.7-169.7-175.7175.400111.8Y459 L464Y459-E462 WeakPolarHBondContact CE1-O 3.3Å; Y459-E462 PolarHBondContact OH-O 3.26Å; E462-L464 PolarHBondContact O-N 3Å
463K63.9Low60Low145 Ų145120.3 Ų120.363%0.6362%0.617SS**  trans-51.4109.3-175.8-176.9-177.2176.5-173.40112.6V465K463-V465 PolarHBondContact O-N 2.66Å; K463-V465 VanDerWaalsContact O-N 3.1Å
464L61.1Low60.2Low120 Ų120122.5 Ų122.563%0.62862%0.623SS**  trans-60.6115.3174.3-61.8176.2000110.3Y459 E462 L466Y459-L464 HydrophobicContact CE1-CG 4.45Å; Y459-L464 HydrophobicContact CE2-CD1 4.26Å; Y459-L464 HydrophobicContact CE2-CG 4.46Å; Y459-L464 WeakPolarHBondContact OH-CG 3.15Å; E462-L464 PolarHBondContact O-N 3Å; L464-L466 PolarHBondContact O-N 3.03Å
465V60.2Low60Low110 Ų110121.1 Ų121.167%0.66762%0.624SS**  trans-77.695.2174.6-167.50000107.9K463 H467K463-V465 PolarHBondContact O-N 2.66Å; K463-V465 VanDerWaalsContact O-N 3.1Å; V465-H467 VanDerWaalsContact CG1-O 3.27Å; V465-H467 WeakPolarHBondContact CG1-O 3.05Å; V465-H467 PolarHBondContact O-N 3.03Å; V465-H467 VanDerWaalsContact O-N 3.09Å
466L58.3Low59.9Low157 Ų157127.6 Ų127.682%0.82265%0.65SS**SBendtrans-63.6-12.1179.5-71.8166.6000113.9L464L464-L466 PolarHBondContact O-N 3.03Å
467H59Low59.9Low154 Ų154132.5 Ų132.571%0.71367%0.667SS**SBendtrans-107.9121.4175.2-61.4-57.6000110V465 V469V465-H467 VanDerWaalsContact CG1-O 3.27Å; V465-H467 WeakPolarHBondContact CG1-O 3.05Å; V465-H467 PolarHBondContact O-N 3.03Å; V465-H467 VanDerWaalsContact O-N 3.09Å; H467-V469 PolarHBondContact O-N 3Å
468P55.3Low60.2Low106 Ų106133.2 Ų133.269%0.68868%0.675SS**  trans-59.9121.1175.624.6-31.4000108.4K470P468-K470 PolarHBondContact O-N 3.02Å
469V60.2Low60.1Low125 Ų125133.2 Ų133.276%0.75868%0.675SS**  trans-49.6132.5164.5-177.80000106.5H467 K471H467-V469 PolarHBondContact O-N 3Å; V469-K471 PolarHBondContact O-N 3.18Å
470K56Low60.1Low203 Ų203133.2 Ų133.288%0.88368%0.684SS**  trans-41.3111.1-173.9-69.1178.9-179.3176.10109.6P468 A472P468-K470 PolarHBondContact O-N 3.02Å; K470-A472 PolarHBondContact O-N 3.2Å
471K59.8Low60Low181 Ų181137 Ų13779%0.78771%0.712SS**PPolyproline II helixtrans-52.8134176.5-69.5-175.1177.5-175.40107.9V469 R473V469-K471 PolarHBondContact O-N 3.18Å; K471-R473 PolarHBondContact O-N 3.35Å
472A58.5Low59.7Low88 Ų88146.1 Ų146.173%0.72774%0.739SS**PPolyproline II helixtrans-49.4135.8173.300000108.7K470 I474K470-A472 PolarHBondContact O-N 3.2Å; A472-I474 PolarHBondContact O-N 3.1Å
473R55.6Low59.8Low236 Ų236142.5 Ų142.589%0.89173%0.725SS**PPolyproline II helixtrans-59.1117179.1-80.4-177.2162.7168.6-5.5108K471 D475K471-R473 PolarHBondContact O-N 3.35Å; R473-D475 PolarHBondContact O-N 3.02Å
474I62.1Low60Low118 Ų118144.7 Ų144.761%0.60574%0.735SS**  trans-75.8112.7171.3-57.7171.1000105.7A472 Y476A472-I474 PolarHBondContact O-N 3.1Å; I474-Y476 WeakPolarHBondContact O-CD2 3.43Å; I474-Y476 PolarHBondContact O-N 3.07Å
475D53.8Low60.2Low144 Ų144144 Ų14477%0.7774%0.738SS**  trans-71.6106.9172.6-73.5-23.3000108.3R473 L477R473-D475 PolarHBondContact O-N 3.02Å; D475-L477 PolarHBondContact O-N 3.08Å; D475-L477 VanDerWaalsContact O-N 3.12Å
476Y58.3Low60.5Low210 Ų210144.7 Ų144.782%0.82473%0.732SS**  trans-73.1101.8174.1-62.8-81.8000109.2I474I474-Y476 WeakPolarHBondContact O-CD2 3.43Å; I474-Y476 PolarHBondContact O-N 3.07Å
477L60.7Low60.7Low140 Ų140143.8 Ų143.873%0.73373%0.728SS**  trans-92.2121.5169-144.286.1000108.1D475 G479D475-L477 PolarHBondContact O-N 3.08Å; D475-L477 VanDerWaalsContact O-N 3.12Å; L477-G479 PolarHBondContact O-N 3.48Å
478I63.2Low60.8Low164 Ų164143.5 Ų143.584%0.84173%0.73SS**  trans-78.1104173.2-60.4169.8000107.1
479G59.2Low61.1Low50 Ų50143.7 Ų143.752%0.51573%0.725SS.*  trans-69.2138.1173.500000111.2L477L477-G479 PolarHBondContact O-N 3.48Å
480T63.9Low61.1Low83 Ų83144.6 Ų144.651%0.50972%0.721SS.*  trans-88.6162.9168.465.20000109.7Y482 D483T480-Y482 PolarHBondContact O-N 3.47Å; T480-D483 PolarHBondContact N-OD2 3.39Å; T480-D483 PolarHBondContact O-N 3.16Å; T480-D483 PolarHBondContact OG1-OD2 3.42Å
481V60.3Low61.3Low145 Ų145137.8 Ų137.888%0.87971%0.709SS**THydrogen-bonded Turntrans-62.4-5.1-179.1-1740000113
482Y58.4Low61.4Low217 Ų217134.8 Ų134.885%0.85170%0.701SS**THydrogen-bonded Turntrans-102.5-5.5179.3-55.6-72000113.6T480T480-Y482 PolarHBondContact O-N 3.47Å
483D67.9Low61.4Low96 Ų96137 Ų13751%0.51371%0.706SS.*SBendtrans-85.7144.5178.5-64.3-51.7000111T480T480-D483 PolarHBondContact N-OD2 3.39Å; T480-D483 PolarHBondContact O-N 3.16Å; T480-D483 PolarHBondContact OG1-OD2 3.42Å
484K68.4Low61.5Low192 Ų192130.5 Ų130.584%0.83569%0.688SS**PPolyproline II helixtrans-66.2129.6176.8-70.9-178.1179.9178.50109.6K486K484-K486 PolarHBondContact O-N 3.14Å
485P65.8Low61.1Low106 Ų106137.6 Ų137.669%0.68871%0.708SS**PPolyproline II helixtrans-62132.6-177.825.5-33000109.9D489P485-D489 HydrophobicContact CB-CB 4.25Å
486K64.7Low61.2Low123 Ų123140.2 Ų140.254%0.53571%0.707SS.*PPolyproline II helixtrans-93.1165.5172.2-64.7179.4-177.91750109.3K484 I488 D489 E490K484-K486 PolarHBondContact O-N 3.14Å; K486-I488 PolarHBondContact O-N 3.04Å; K486-D489 PolarHBondContact N-OD2 3.43Å; K486-D489 WeakPolarHBondContact O-CA 3.39Å; K486-D489 WeakPolarHBondContact O-CB 3.32Å; K486-D489 PolarHBondContact O-N 3.09Å; K486-E490 PolarHBondContact O-N 3.28Å
487D62.8Low60.8Low138 Ų138142.2 Ų142.274%0.73871%0.713SS**THydrogen-bonded Turntrans-56.3-17.7179.9-52.9-16.2000114.3
488I62.5Low60.6Low149 Ų149141.1 Ų141.176%0.76470%0.704SS**THydrogen-bonded Turntrans-83.4-21.4177.5-35.5168000111.7K486K486-I488 PolarHBondContact O-N 3.04Å
489D60.3Low60.3Low109 Ų109137.8 Ų137.858%0.58369%0.693SS**THydrogen-bonded Turntrans-87.3-13.3174.8-55.6-48.6000111.6P485 K486 G491P485-D489 HydrophobicContact CB-CB 4.25Å; K486-D489 PolarHBondContact N-OD2 3.43Å; K486-D489 WeakPolarHBondContact O-CA 3.39Å; K486-D489 WeakPolarHBondContact O-CB 3.32Å; K486-D489 PolarHBondContact O-N 3.09Å; D489-G491 PolarHBondContact O-N 3.31Å
490E60.6Low60Low145 Ų145143 Ų14368%0.67871%0.709SS**SBendtrans-65.1118.1169.5-66.3-165.5160.800108.6K486K486-E490 PolarHBondContact O-N 3.28Å
491G61.4Low59.4Low60 Ų60145.1 Ų145.162%0.61972%0.722SS**PPolyproline II helixtrans-59153.5-176.500000112.4D489 T493D489-G491 PolarHBondContact O-N 3.31Å; G491-T493 PolarHBondContact O-N 3.04Å
492D60.1Low59.1Low118 Ų118143.1 Ų143.163%0.63172%0.715SS**PPolyproline II helixtrans-53.2129.7179.2-1431.2000111.1L494D492-L494 PolarHBondContact O-N 3.46Å; D492-L494 VanDerWaalsContact O-N 3.12Å
493T58.7Low58.6Low133 Ų133141.9 Ų141.982%0.81672%0.719SS**SBendtrans-69.9-9.9-172.3540000113.9G491G491-T493 PolarHBondContact O-N 3.04Å
494L59.2Low57.8Low101 Ų101146.5 Ų146.553%0.52973%0.734SS.*SBendtrans-84.4130.3175.1-69.5168.7000110D492 R496D492-L494 PolarHBondContact O-N 3.46Å; D492-L494 VanDerWaalsContact O-N 3.12Å; L494-R496 PolarHBondContact O-N 3.37Å
495W52Low56.5Low267 Ų267147.1 Ų147.1100%1.01173%0.733SS**  trans-65.349.8179.2-65.391.6000114.7
496R57.5Low55.9Low199 Ų199153.2 Ų153.275%0.75174%0.742SS**PPolyproline II helixtrans-97.7137.9167.9-77.4-174.1-121.8-114.7-0.2109.2L494 Q498L494-R496 PolarHBondContact O-N 3.37Å; R496-Q498 PolarHBondContact O-N 2.99Å
497R50.1Low54.9Low251 Ų251150.1 Ų150.195%0.94775%0.745SS**PPolyproline II helixtrans-63.8117.9171.3-79-176.3171.7-173.6-2.1109.1
498Q55.3Low53.9Low118 Ų118153.5 Ų153.555%0.55175%0.747SS**PPolyproline II helixtrans-62.2143.9170.8-69.8-79.7-23.500110R496R496-Q498 PolarHBondContact O-N 2.99Å
499P56.8Low53.1Low93 Ų93154.5 Ų154.560%0.60475%0.749SS**PPolyproline II helixtrans-65.1140.8171.126.8-31.2000110.1T501P499-T501 VanDerWaalsContact C-N 3.31Å; P499-T501 HydrophobicContact CG-CG2 4.45Å; P499-T501 PolarHBondContact O-N 3.14Å
500N52.9Low52.3Low160 Ų160154.6 Ų154.686%0.85676%0.755SS**  trans-70.881.1-176.3-55.1-8.8000110.8
501T50.8Low52Low128 Ų128151.7 Ų151.779%0.78576%0.764SS**  trans-91.32.4179.7530000113.8P499 M503P499-T501 VanDerWaalsContact C-N 3.31Å; P499-T501 HydrophobicContact CG-CG2 4.45Å; P499-T501 PolarHBondContact O-N 3.14Å; T501-M503 PolarHBondContact O-N 3.11Å
502S54.1Low51.1Low103 Ų103152.2 Ų152.272%0.7277%0.77SS**  trans-77111.9172.561.10000111K504S502-K504 PolarHBondContact O-N 3.37Å
503M48.5Very low50.6Low190 Ų190152.1 Ų152.194%0.93678%0.778SS**  trans-72.8110.9177.3-144.1-173.6-4100109T501 Y505T501-M503 PolarHBondContact O-N 3.11Å; M503-Y505 PolarHBondContact O-N 3.43Å
504K50.9Low49.9Very low193 Ų193154.1 Ų154.184%0.83978%0.782SS**  trans-70.8119.7173.4-78-173.5176.7-178.10109.9S502 R506S502-K504 PolarHBondContact O-N 3.37Å; K504-R506 PolarHBondContact O-N 3.2Å; K504-R506 VanDerWaalsContact O-N 3.16Å
505Y42.2Very low49Very low205 Ų205152.5 Ų152.580%0.80479%0.79SS**  trans-57.6113.4173.4-169.8-101.8000110.3M503M503-Y505 PolarHBondContact O-N 3.43Å
506R52.8Low49Very low235 Ų235145 Ų14589%0.88778%0.778SS**  trans-93.2113.2162-76-171.9179.4-104.92.3106.7K504 W508K504-R506 PolarHBondContact O-N 3.2Å; K504-R506 VanDerWaalsContact O-N 3.16Å; R506-W508 PolarHBondContact O-N 3.21Å; R506-W508 VanDerWaalsContact O-N 3.09Å
507G42.8Very low48.3Very low57 Ų57143.7 Ų143.759%0.58878%0.778SS**  trans-49.5115.7-178.500000111.2Q509G507-Q509 PolarHBondContact O-N 2.83Å
508W42.3Very low47.6Very low210 Ų210145.7 Ų145.780%0.79579%0.785SS**  trans-75.2115171.6179.966.9000108R506R506-W508 PolarHBondContact O-N 3.21Å; R506-W508 VanDerWaalsContact O-N 3.09Å
509Q46.5Very low47.3Very low169 Ų169147.1 Ų147.179%0.7980%0.797SS**  trans-103.5133.3165-67.3-139.7-24.200109.1G507 G511G507-Q509 PolarHBondContact O-N 2.83Å; Q509-G511 PolarHBondContact O-N 3.33Å; Q509-G511 VanDerWaalsContact O-N 3.12Å
510P41.8Very low46.7Very low112 Ų112149.9 Ų149.973%0.72781%0.807SS**THydrogen-bonded Turntrans-71.9108.7179.327.9-29.8000109.2
511G54.8Low46.4Very low83 Ų83149.3 Ų149.386%0.85681%0.805SS**THydrogen-bonded Turntrans1391.6172.500000117.9Q509Q509-G511 PolarHBondContact O-N 3.33Å; Q509-G511 VanDerWaalsContact O-N 3.12Å
512G42.1Very low46.1Very low72 Ų72150.6 Ų150.674%0.74281%0.806SS**  trans-91.1114.5-177.400000114.4
513S51.5Low45.7Very low116 Ų116153.6 Ų153.681%0.81181%0.811SS**  trans-63.5134173.964.20000112.3G515S513-G515 PolarHBondContact O-N 2.83Å; S513-G515 VanDerWaalsContact O-N 3.08Å
514I43Very low45.5Very low174 Ų174151.1 Ų151.189%0.89280%0.803SS**  trans-70.3102.7169.6-83.7155.7000109.1
515G40.8Very low45.1Very low67 Ų67148.1 Ų148.169%0.69180%0.8SS**  trans-72.5128.9165.600000110.1S513S513-G515 PolarHBondContact O-N 2.83Å; S513-G515 VanDerWaalsContact O-N 3.08Å
516S50.5Low45.3Very low110 Ų110143.8 Ų143.877%0.76980%0.8SS**  trans-67.4139.5169.9-1790000110.7
517K42.8Very low44.7Very low171 Ų171136.2 Ų136.274%0.74379%0.793SS**  trans151.5142.7150.5-85.9163.6-177.8178.60108.7
518R37Very low44.8Very low293 Ų293143.4 Ų143.4100%1.10681%0.811SS**  cis-160.605.7-135.9171-164.2-174.42.2108

Retrieved 518 of 518 residues in 764.6 ms (Link to these results)

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