A0A060WHR1_ONCMY Loading...

Centrosomal protein 95

AlphaFold DB , UniProt , Accession A0A060WHR1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene CEP95, Length 882 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.4Very low60.5Low249 Ų249105.2 Ų105.2100%1.22753%0.532SS*.  0104.40-68.8-71.9-81.700105.6
2G45.4Very low62.6Low47 Ų47103.2 Ų103.249%0.48552%0.523SS..  trans145.859.1-168.800000112.2
3T51.5Low64.4Low109 Ų10998.6 Ų98.667%0.66950%0.504SS*.SBendtrans-152.518.3175.965.10000111.7
4Q48.2Very low66Low129 Ų12991.7 Ų91.760%0.60347%0.469SS*.SBendtrans-138.10.2-173.9-152-17612.900113R8Q4-R8 VanDerWaalsContact O-CD 3.25Å; Q4-R8 WeakPolarHBondContact O-CD 3.44Å; Q4-R8 WeakPolarHBondContact O-CG 3.41Å; Q4-R8 PolarHBondContact O-NE 3.46Å
5E52.3Low67.5Low139 Ų13986.8 Ų86.865%0.6544%0.444SS*.SBendtrans-94.1-53.1168.7-72160.4162.700106.3E7 R8 D9E5-E7 PolarHBondContact O-N 3.26Å; E5-R8 WeakPolarHBondContact O-CB 3.48Å; E5-R8 PolarHBondContact O-N 3.08Å; E5-D9 PolarHBondContact O-N 3.46Å
6D59.3Low68.7Low85 Ų8587.1 Ų87.146%0.45545%0.447SS..THydrogen-bonded Turntrans-54.2-10.3170.9-41.133000116.4K100D6-K100 PolarHBondContact O-NZ 2.76Å
7E58.4Low69.9Low75 Ų7582 Ų8235%0.3542%0.421SS..THydrogen-bonded Turntrans-103.2-20.1174.3-72.7-166.9179.300113.4E5 V11 K96E5-E7 PolarHBondContact O-N 3.26Å; E7-V11 VanDerWaalsContact O-CG2 3.27Å; E7-V11 WeakPolarHBondContact O-CG2 3.28Å; E7-K96 IonicContact OE1-NZ 2.72Å; E7-K96 PolarHBondContact OE1-NZ 3.47Å
8R59.6Low70.9Confident149 Ų14977.5 Ų77.556%0.56240%0.398SS*.THydrogen-bonded Turntrans-80.6-49.3175.9-71.3168.5177.4-91.1-0.2110.2Q4 E5 W10 V11 D12Q4-R8 VanDerWaalsContact O-CD 3.25Å; Q4-R8 WeakPolarHBondContact O-CD 3.44Å; Q4-R8 WeakPolarHBondContact O-CG 3.41Å; Q4-R8 PolarHBondContact O-NE 3.46Å; E5-R8 WeakPolarHBondContact O-CB 3.48Å; E5-R8 PolarHBondContact O-N 3.08Å; R8-W10 PolarHBondContact O-N 2.82Å; R8-W10 VanDerWaalsContact O-N 3.16Å; R8-V11 CarbonylContact O-C 3.58Å; R8-V11 WeakPolarHBondContact O-CA 3.43Å; R8-V11 WeakPolarHBondContact O-CB 3.33Å; R8-V11 PolarHBondContact O-N 3.14Å; R8-D12 PolarHBondContact O-N 2.89Å
9D77.5Confident71.7Confident95 Ų9577.2 Ų77.251%0.50840%0.403SS..Hα-helixtrans-53.7-42.4-176-50-23.5000111.2E5 D12 V13E5-D9 PolarHBondContact O-N 3.46Å; D9-D12 PolarHBondContact O-N 3.34Å; D9-V13 WeakPolarHBondContact O-CG2 3.29Å; D9-V13 PolarHBondContact O-N 2.85Å
10W83.8Confident72.3Confident64 Ų6478.6 Ų78.624%0.24241%0.405CS..Hα-helixtrans-78.8-20.2177.7-70.187.9000114.9R8 A14 V30 K100 E104R8-W10 PolarHBondContact O-N 2.82Å; R8-W10 VanDerWaalsContact O-N 3.16Å; W10-A14 VanDerWaalsContact O-CB 3.3Å; W10-A14 WeakPolarHBondContact O-CB 3.25Å; W10-A14 PolarHBondContact O-N 2.87Å; W10-A14 VanDerWaalsContact O-N 3.16Å; W10-V30 HydrophobicContact CB-CG2 3.9Å; W10-K100 HydrophobicContact CB-CG 4.35Å; W10-K100 HydrophobicContact CD2-CB 4.21Å; W10-K100 HydrophobicContact CD2-CD 3.88Å; W10-K100 HydrophobicContact CD2-CG 3.63Å; W10-K100 HydrophobicContact CE3-CB 4.06Å; W10-K100 HydrophobicContact CE3-CG 3.87Å; W10-K100 HydrophobicContact CG-CD 3.91Å; W10-K100 HydrophobicContact CG-CG 3.85Å; W10-K100 HydrophobicContact CH2-CB 4.39Å; W10-K100 HydrophobicContact CZ2-CD 4.46Å; W10-K100 HydrophobicContact CZ3-CB 4.15Å; W10-K100 HydrophobicContact CZ3-CG 4.45Å; W10-E104 HydrophobicContact CH2-CB 4.09Å; W10-E104 HydrophobicContact CH2-CG 4.48Å; W10-E104 HydrophobicContact CZ3-CB 4.14Å
11V86.7Confident72.8Confident16 Ų1675.8 Ų75.810%0.09739%0.393CS..Hα-helixtrans-75.1-37.4167.5166.90000110.4E7 R8 N15 K29 V30E7-V11 VanDerWaalsContact O-CG2 3.27Å; E7-V11 WeakPolarHBondContact O-CG2 3.28Å; R8-V11 CarbonylContact O-C 3.58Å; R8-V11 WeakPolarHBondContact O-CA 3.43Å; R8-V11 WeakPolarHBondContact O-CB 3.33Å; R8-V11 PolarHBondContact O-N 3.14Å; V11-N15 WeakPolarHBondContact CG1-ND2 3.32Å; V11-N15 WeakPolarHBondContact O-CB 3.25Å; V11-N15 VanDerWaalsContact O-CG 3.32Å; V11-N15 PolarHBondContact O-N 2.79Å; V11-N15 PolarHBondContact O-ND2 3.21Å; V11-K29 VanDerWaalsContact CG2-C 3.48Å; V11-V30 HydrophobicContact CG2-CG2 3.78Å; V11-V30 VanDerWaalsContact CG2-N 3.35Å
12D85.5Confident74.6Confident81 Ų8171.4 Ų71.443%0.43337%0.369SS..Hα-helixtrans-72.1-44.5178.2-67.9-32.8000110.2R8 D9 A14 N15 D16R8-D12 PolarHBondContact O-N 2.89Å; D9-D12 PolarHBondContact O-N 3.34Å; D12-A14 PolarHBondContact O-N 2.99Å; D12-N15 PolarHBondContact O-N 2.9Å; D12-N15 VanDerWaalsContact O-N 3.14Å; D12-D16 WeakPolarHBondContact O-CB 3.39Å; D12-D16 PolarHBondContact O-N 3.43Å
13V86.4Confident76.5Confident44 Ų4471 Ų7127%0.26736%0.355SS..Hα-helixtrans-52.9-49.9168.21680000111.9D9 N15 D16 I17D9-V13 WeakPolarHBondContact O-CG2 3.29Å; D9-V13 PolarHBondContact O-N 2.85Å; V13-N15 VanDerWaalsContact C-N 3.3Å; V13-N15 PolarHBondContact O-N 3.35Å; V13-D16 PolarHBondContact O-N 3.3Å; V13-D16 VanDerWaalsContact O-N 3.14Å; V13-I17 HydrophobicContact CG1-CD1 3.94Å; V13-I17 HydrophobicContact CG1-CG1 4.44Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.18Å; V13-I17 PolarHBondContact O-N 2.78Å
14A86.9Confident77.6Confident2 Ų274.1 Ų74.12%0.01737%0.368CS..Hα-helixtrans-62.5-36.2179.700000113W10 D12 L18 L27 L103W10-A14 VanDerWaalsContact O-CB 3.3Å; W10-A14 WeakPolarHBondContact O-CB 3.25Å; W10-A14 PolarHBondContact O-N 2.87Å; W10-A14 VanDerWaalsContact O-N 3.16Å; D12-A14 PolarHBondContact O-N 2.99Å; A14-L18 WeakPolarHBondContact O-CD1 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.88Å; A14-L27 HydrophobicContact CB-CD1 3.96Å; A14-L103 HydrophobicContact CB-CD1 3.98Å; A14-L103 HydrophobicContact CB-CD2 4.03Å
15N88.8Confident79.2Confident18 Ų1872 Ų7210%0.09636%0.36CS..Hα-helixtrans-71.8-35.3174.6-77-55000112.2V11 D12 V13 L18 S19 R26 L27V11-N15 WeakPolarHBondContact CG1-ND2 3.32Å; V11-N15 WeakPolarHBondContact O-CB 3.25Å; V11-N15 VanDerWaalsContact O-CG 3.32Å; V11-N15 PolarHBondContact O-N 2.79Å; V11-N15 PolarHBondContact O-ND2 3.21Å; D12-N15 PolarHBondContact O-N 2.9Å; D12-N15 VanDerWaalsContact O-N 3.14Å; V13-N15 VanDerWaalsContact C-N 3.3Å; V13-N15 PolarHBondContact O-N 3.35Å; N15-L18 PolarHBondContact O-N 3.23Å; N15-S19 WeakPolarHBondContact O-CB 3.37Å; N15-S19 PolarHBondContact O-N 2.82Å; N15-R26 WeakPolarHBondContact OD1-CA 3.37Å; N15-R26 VanDerWaalsContact OD1-CG 3.29Å; N15-R26 WeakPolarHBondContact OD1-CG 3.39Å; N15-L27 PolarHBondContact ND2-O 2.93Å; N15-L27 PolarHBondContact OD1-N 2.82Å
16D87.1Confident80.5Confident92 Ų9274.8 Ų74.849%0.49237%0.365SS..Hα-helixtrans-66.8-47177.8-77.7-6.1000110.7D12 V13 L18 S19 K20D12-D16 WeakPolarHBondContact O-CB 3.39Å; D12-D16 PolarHBondContact O-N 3.43Å; V13-D16 PolarHBondContact O-N 3.3Å; V13-D16 VanDerWaalsContact O-N 3.14Å; D16-L18 PolarHBondContact O-N 2.77Å; D16-S19 PolarHBondContact O-N 3.48Å; D16-S19 VanDerWaalsContact O-N 3.09Å; D16-S19 PolarHBondContact O-OG 3.35Å; D16-K20 WeakPolarHBondContact O-CG 3.44Å; D16-K20 PolarHBondContact O-N 3.24Å
17I88.1Confident81.7Confident0 Ų071.2 Ų71.20%035%0.346CS..Hα-helixtrans-55.2-50.4172.1-56.3161.6000110.2V13 S19 K20 C21 L41 I45 L103 D107 L110V13-I17 HydrophobicContact CG1-CD1 3.94Å; V13-I17 HydrophobicContact CG1-CG1 4.44Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.18Å; V13-I17 PolarHBondContact O-N 2.78Å; I17-S19 PolarHBondContact O-N 3.46Å; I17-K20 PolarHBondContact O-N 2.85Å; I17-C21 WeakPolarHBondContact O-CB 3.48Å; I17-C21 PolarHBondContact O-N 3.46Å; I17-C21 PolarHBondContact O-SG 3.36Å; I17-L41 HydrophobicContact CB-CD2 4.5Å; I17-L41 HydrophobicContact CG2-CD2 3.54Å; I17-I45 HydrophobicContact CG2-CD1 4.29Å; I17-L103 HydrophobicContact CD1-CD2 4.32Å; I17-D107 HydrophobicContact CD1-CB 3.79Å; I17-D107 HydrophobicContact CG1-CB 3.97Å; I17-D107 WeakPolarHBondContact CG1-OD1 3.25Å; I17-L110 HydrophobicContact CG2-CD2 3.89Å
18L87.8Confident82.8Confident1 Ų176.3 Ų76.31%0.00537%0.367CS..Hα-helixtrans-58.2-36.1178-72.6168000112.4A14 N15 D16 C21 H22 I23 L27 V37 L41A14-L18 WeakPolarHBondContact O-CD1 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.88Å; N15-L18 PolarHBondContact O-N 3.23Å; D16-L18 PolarHBondContact O-N 2.77Å; L18-C21 CarbonylContact O-C 3.57Å; L18-H22 PolarHBondContact O-N 3.23Å; L18-H22 VanDerWaalsContact O-N 3.14Å; L18-I23 HydrophobicContact CB-CB 4.49Å; L18-I23 HydrophobicContact CD2-CB 3.82Å; L18-I23 HydrophobicContact CD2-CD1 3.83Å; L18-I23 HydrophobicContact CD2-CG1 4.43Å; L18-I23 HydrophobicContact CD2-CG2 3.75Å; L18-I23 PolarHBondContact O-N 2.89Å; L18-L27 HydrophobicContact CD1-CD1 3.83Å; L18-L27 HydrophobicContact CD1-CG 3.84Å; L18-V37 HydrophobicContact CD1-CG1 4.41Å; L18-V37 HydrophobicContact CD2-CG1 4.03Å; L18-L41 HydrophobicContact CD2-CD1 4.43Å; L18-L41 HydrophobicContact CD2-CD2 3.89Å; L18-L41 HydrophobicContact CD2-CG 4.06Å; L18-L41 HydrophobicContact CG-CD2 4.43Å
19S86.1Confident84Confident71 Ų7175.2 Ų75.250%0.49737%0.366SS..Hα-helixtrans-72.5-42.8178820000113.1N15 D16 I17 C21 H22N15-S19 WeakPolarHBondContact O-CB 3.37Å; N15-S19 PolarHBondContact O-N 2.82Å; D16-S19 PolarHBondContact O-N 3.48Å; D16-S19 VanDerWaalsContact O-N 3.09Å; D16-S19 PolarHBondContact O-OG 3.35Å; I17-S19 PolarHBondContact O-N 3.46Å; S19-C21 VanDerWaalsContact C-N 3.28Å; S19-C21 PolarHBondContact O-N 2.74Å; S19-H22 PolarHBondContact O-N 2.81Å; S19-H22 PolarHBondContact O-ND1 2.77Å; S19-H22 VanDerWaalsContact O-ND1 3.12Å
20K84.4Confident84.2Confident105 Ų10571.2 Ų71.246%0.45735%0.345SS..Hα-helixtrans-56.2-45171.7-67.4170.7-171.11780109.8D16 I17 H22 D107 L110D16-K20 WeakPolarHBondContact O-CG 3.44Å; D16-K20 PolarHBondContact O-N 3.24Å; I17-K20 PolarHBondContact O-N 2.85Å; K20-H22 VanDerWaalsContact C-N 3.25Å; K20-H22 PolarHBondContact O-N 2.91Å; K20-H22 PolarHBondContact O-ND1 2.9Å; K20-D107 IonicContact NZ-OD1 3.12Å; K20-D107 PolarHBondContact NZ-OD1 3.44Å; K20-D107 IonicContact NZ-OD2 2.73Å; K20-L110 HydrophobicContact CB-CD2 3.75Å; K20-L110 HydrophobicContact CD-CD2 3.46Å; K20-L110 VanDerWaalsContact CD-CD2 3.46Å; K20-L110 HydrophobicContact CD-CG 4.19Å; K20-L110 HydrophobicContact CG-CD2 4.27Å
21C83Confident84.2Confident21 Ų2170.8 Ų70.814%0.14235%0.349CS..THydrogen-bonded Turntrans-77.42.5176.8-61.60000115.1I17 L18 S19 I23 L41 A44 I45I17-C21 WeakPolarHBondContact O-CB 3.48Å; I17-C21 PolarHBondContact O-N 3.46Å; I17-C21 PolarHBondContact O-SG 3.36Å; L18-C21 CarbonylContact O-C 3.57Å; S19-C21 VanDerWaalsContact C-N 3.28Å; S19-C21 PolarHBondContact O-N 2.74Å; C21-I23 HydrophobicContact CB-CD1 3.93Å; C21-I23 HydrophobicContact CB-CG1 4.14Å; C21-I23 PolarHBondContact O-N 2.75Å; C21-I23 VanDerWaalsContact O-N 3.11Å; C21-L41 HydrophobicContact CB-CD2 4.42Å; C21-A44 HydrophobicContact CB-CB 3.88Å; C21-I45 WeakPolarHBondContact SG-CG1 3.3Å
22H80.8Confident84.1Confident156 Ų15672.7 Ų72.772%0.72236%0.359SS*.THydrogen-bonded Turntrans57.221.6-179.1-58.1-13.7000115.5L18 S19 K20 N24L18-H22 PolarHBondContact O-N 3.23Å; L18-H22 VanDerWaalsContact O-N 3.14Å; S19-H22 PolarHBondContact O-N 2.81Å; S19-H22 PolarHBondContact O-ND1 2.77Å; S19-H22 VanDerWaalsContact O-ND1 3.12Å; K20-H22 VanDerWaalsContact C-N 3.25Å; K20-H22 PolarHBondContact O-N 2.91Å; K20-H22 PolarHBondContact O-ND1 2.9Å; H22-N24 PolarHBondContact O-N 3.07Å; H22-N24 PolarHBondContact O-ND2 3.44Å; H22-N24 VanDerWaalsContact O-ND2 3.1Å
23I84.6Confident84.1Confident39 Ų3969 Ų6920%0.234%0.34CS..  trans-78.8118.6176.9-62.8165.1000108.3L18 C21 L25 A40 L41 A44L18-I23 HydrophobicContact CB-CB 4.49Å; L18-I23 HydrophobicContact CD2-CB 3.82Å; L18-I23 HydrophobicContact CD2-CD1 3.83Å; L18-I23 HydrophobicContact CD2-CG1 4.43Å; L18-I23 HydrophobicContact CD2-CG2 3.75Å; L18-I23 PolarHBondContact O-N 2.89Å; C21-I23 HydrophobicContact CB-CD1 3.93Å; C21-I23 HydrophobicContact CB-CG1 4.14Å; C21-I23 PolarHBondContact O-N 2.75Å; C21-I23 VanDerWaalsContact O-N 3.11Å; I23-L25 HydrophobicContact CG2-CB 4.07Å; I23-L25 PolarHBondContact O-N 2.91Å; I23-A40 HydrophobicContact CD1-CB 4.01Å; I23-L41 HydrophobicContact CD1-CD2 3.97Å; I23-L41 HydrophobicContact CD1-CG 4.24Å; I23-A44 HydrophobicContact CD1-CB 4.03Å; I23-A44 HydrophobicContact CG1-CB 4.41Å
24N73.7Confident83.9Confident175 Ų17571.7 Ų71.794%0.93635%0.352SS*.  trans-79.851.5-173.8-76.2-95000112.8H22H22-N24 PolarHBondContact O-N 3.07Å; H22-N24 PolarHBondContact O-ND2 3.44Å; H22-N24 VanDerWaalsContact O-ND2 3.1Å
25L81.4Confident83.8Confident84 Ų8471.7 Ų71.744%0.4435%0.353SS..  trans-125.1139.8178.3-175.565.1000109.5I23 L27 V37I23-L25 HydrophobicContact CG2-CB 4.07Å; I23-L25 PolarHBondContact O-N 2.91Å; L25-L27 HydrophobicContact CD2-CD2 3.85Å; L25-L27 HydrophobicContact CG-CD2 4.1Å; L25-V37 HydrophobicContact CD2-CG1 4.3Å; L25-V37 HydrophobicContact CD2-CG2 3.77Å
26R81.1Confident83.7Confident197 Ų19775 Ų7574%0.74337%0.37SS*.  trans-127.2115.3173.3-167.8-178.8-179.2170.54.5110.9N15N15-R26 WeakPolarHBondContact OD1-CA 3.37Å; N15-R26 VanDerWaalsContact OD1-CG 3.29Å; N15-R26 WeakPolarHBondContact OD1-CG 3.39Å
27L84.1Confident83.7Confident11 Ų1171.2 Ų71.26%0.05835%0.35CS..  trans-80.7152.8-178.6-53.9178.2000110.9A14 N15 L18 L25 D32 C33A14-L27 HydrophobicContact CB-CD1 3.96Å; N15-L27 PolarHBondContact ND2-O 2.93Å; N15-L27 PolarHBondContact OD1-N 2.82Å; L18-L27 HydrophobicContact CD1-CD1 3.83Å; L18-L27 HydrophobicContact CD1-CG 3.84Å; L25-L27 HydrophobicContact CD2-CD2 3.85Å; L25-L27 HydrophobicContact CG-CD2 4.1Å; L27-D32 HydrophobicContact CB-CB 4.45Å; L27-D32 HydrophobicContact CD2-CB 3.95Å; L27-C33 WeakPolarHBondContact CD1-SG 3.13Å
28K82.2Confident83.8Confident181 Ų18171.2 Ų71.279%0.78735%0.35SS*.SBendtrans-118.9-14.9178.7-66.5177.2-176.6170.80112.9D32K28-D32 PolarHBondContact N-OD2 2.96Å
29K83.5Confident83.9Confident127 Ų12771.6 Ų71.655%0.55235%0.354SS*.SBendtrans-144.2153172.6-56.6176-179.3176.20109.3V11 T31 D32V11-K29 VanDerWaalsContact CG2-C 3.48Å; K29-T31 WeakPolarHBondContact CB-OG1 3.28Å; K29-T31 PolarHBondContact O-N 3.27Å; K29-D32 PolarHBondContact N-OD2 3.48Å; K29-D32 VanDerWaalsContact O-CB 3.31Å; K29-D32 WeakPolarHBondContact O-CB 3.42Å; K29-D32 PolarHBondContact O-N 2.89Å
30V82.8Confident83.9Confident10 Ų1070 Ų706%0.06135%0.345CS..G310 helixtrans-57.1-32.9171-1760000111.2W10 V11 D32 C33 I99W10-V30 HydrophobicContact CB-CG2 3.9Å; V11-V30 HydrophobicContact CG2-CG2 3.78Å; V11-V30 VanDerWaalsContact CG2-N 3.35Å; V30-D32 PolarHBondContact O-N 3.38Å; V30-C33 WeakPolarHBondContact O-CB 3.47Å; V30-C33 PolarHBondContact O-N 3.48Å; V30-C33 PolarHBondContact O-SG 3.02Å; V30-C33 VanDerWaalsContact O-SG 3.4Å; V30-I99 HydrophobicContact CG1-CB 4.06Å; V30-I99 HydrophobicContact CG1-CG2 3.43Å; V30-I99 VanDerWaalsContact CG1-CG2 3.43Å
31T84.1Confident84Confident55 Ų5565 Ų6534%0.33732%0.323SS..G310 helixtrans-71.9-1.8176.859.60000114.8K29 C33 K96K29-T31 WeakPolarHBondContact CB-OG1 3.28Å; K29-T31 PolarHBondContact O-N 3.27Å; T31-C33 VanDerWaalsContact C-N 3.3Å; T31-K96 HydrophobicContact CG2-CG 4.46Å
32D84.3Confident84.3Confident57 Ų5764.1 Ų64.131%0.30532%0.317SS..G310 helixtrans-85.9-4.3175.9-54.8-20.3000111.6L27 K28 K29 V30 N34L27-D32 HydrophobicContact CB-CB 4.45Å; L27-D32 HydrophobicContact CD2-CB 3.95Å; K28-D32 PolarHBondContact N-OD2 2.96Å; K29-D32 PolarHBondContact N-OD2 3.48Å; K29-D32 VanDerWaalsContact O-CB 3.31Å; K29-D32 WeakPolarHBondContact O-CB 3.42Å; K29-D32 PolarHBondContact O-N 2.89Å; V30-D32 PolarHBondContact O-N 3.38Å; D32-N34 VanDerWaalsContact C-N 3.33Å; D32-N34 PolarHBondContact O-N 3.3Å
33C84.2Confident84.7Confident4 Ų460.9 Ų60.93%0.02730%0.302CS..  trans-73.573.6177.5-65.90000113L27 V30 T31 F38 I99L27-C33 WeakPolarHBondContact CD1-SG 3.13Å; V30-C33 WeakPolarHBondContact O-CB 3.47Å; V30-C33 PolarHBondContact O-N 3.48Å; V30-C33 PolarHBondContact O-SG 3.02Å; V30-C33 VanDerWaalsContact O-SG 3.4Å; T31-C33 VanDerWaalsContact C-N 3.3Å; C33-F38 HydrophobicContact CB-CE2 3.68Å; C33-F38 HydrophobicContact CB-CZ 3.92Å; C33-F38 WeakPolarHBondContact O-CE2 3.49Å; C33-I99 HydrophobicContact CB-CG2 3.96Å
34N82.7Confident84.7Confident99 Ų9961.4 Ų61.453%0.52931%0.312SS..  trans-75.5170.8177.4-63.8-11.7000112.8D32 N36 V37 F38D32-N34 VanDerWaalsContact C-N 3.33Å; D32-N34 PolarHBondContact O-N 3.3Å; N34-N36 VanDerWaalsContact C-N 3.28Å; N34-N36 PolarHBondContact O-N 2.62Å; N34-V37 WeakPolarHBondContact O-CA 3.22Å; N34-V37 VanDerWaalsContact O-CB 3.31Å; N34-V37 WeakPolarHBondContact O-CB 3.36Å; N34-V37 PolarHBondContact O-N 2.79Å; N34-F38 PolarHBondContact O-N 2.81Å
35A85.5Confident85.3Confident3 Ų354 Ų543%0.02527%0.272CS..Hα-helixtrans-50.2-44179.300000114V37 F38 A39 D63 N66 I67A35-V37 PolarHBondContact O-N 2.89Å; A35-F38 PolarHBondContact O-N 2.87Å; A35-A39 WeakPolarHBondContact O-CB 3.29Å; A35-A39 PolarHBondContact O-N 2.88Å; A35-D63 HydrophobicContact CB-CB 4.09Å; A35-D63 WeakPolarHBondContact CB-OD1 3.5Å; A35-N66 HydrophobicContact CB-CB 4.17Å; A35-I67 HydrophobicContact CB-CD1 3.69Å; A35-I67 HydrophobicContact CB-CG1 3.61Å
36N86.1Confident85.4Confident87 Ų8751.6 Ų51.647%0.46526%0.26SS..Hα-helixtrans-59.4-27176.5-62.3-52.1000113.6N34 A40 Y53N34-N36 VanDerWaalsContact C-N 3.28Å; N34-N36 PolarHBondContact O-N 2.62Å; N36-A40 VanDerWaalsContact O-CB 3.23Å; N36-A40 WeakPolarHBondContact O-CB 3.34Å; N36-A40 PolarHBondContact O-N 2.79Å; N36-A40 VanDerWaalsContact O-N 3.15Å; N36-Y53 PolarHBondContact OD1-OH 3.42Å
37V88.3Confident85.3Confident12 Ų1245.3 Ų45.37%0.07326%0.257CS..Hα-helixtrans-76.3-48.4179-171.30000110L18 L25 N34 A35 A40 L41L18-V37 HydrophobicContact CD1-CG1 4.41Å; L18-V37 HydrophobicContact CD2-CG1 4.03Å; L25-V37 HydrophobicContact CD2-CG1 4.3Å; L25-V37 HydrophobicContact CD2-CG2 3.77Å; N34-V37 WeakPolarHBondContact O-CA 3.22Å; N34-V37 VanDerWaalsContact O-CB 3.31Å; N34-V37 WeakPolarHBondContact O-CB 3.36Å; N34-V37 PolarHBondContact O-N 2.79Å; A35-V37 PolarHBondContact O-N 2.89Å; V37-A40 PolarHBondContact O-N 3.26Å; V37-L41 HydrophobicContact CG1-CD1 4.31Å; V37-L41 WeakPolarHBondContact O-CB 3.37Å; V37-L41 WeakPolarHBondContact O-CG 3.21Å; V37-L41 PolarHBondContact O-N 3.31Å
38F90.2Very high85.3Confident0 Ų050.4 Ų50.40%028%0.28CS..Hα-helixtrans-68.4-35.4177.4-72.1-63.1000112.9C33 N34 A35 L41 Y42 I91 I99 L102 L103 F106C33-F38 HydrophobicContact CB-CE2 3.68Å; C33-F38 HydrophobicContact CB-CZ 3.92Å; C33-F38 WeakPolarHBondContact O-CE2 3.49Å; N34-F38 PolarHBondContact O-N 2.81Å; A35-F38 PolarHBondContact O-N 2.87Å; F38-L41 HydrophobicContact CD1-CD1 4.26Å; F38-L41 PolarHBondContact O-N 3.43Å; F38-Y42 WeakPolarHBondContact O-CB 3.28Å; F38-Y42 PolarHBondContact O-N 3.16Å; F38-I91 HydrophobicContact CD2-CG2 4.27Å; F38-I91 HydrophobicContact CE2-CG2 3.81Å; F38-I99 HydrophobicContact CZ-CG2 4.2Å; F38-L102 HydrophobicContact CD1-CD2 3.69Å; F38-L102 HydrophobicContact CD1-CG 4.01Å; F38-L102 HydrophobicContact CD2-CD2 4.1Å; F38-L102 HydrophobicContact CE1-CB 4.16Å; F38-L102 HydrophobicContact CE1-CD2 3.72Å; F38-L102 HydrophobicContact CE1-CG 3.76Å; F38-L102 HydrophobicContact CE2-CD2 4.12Å; F38-L102 HydrophobicContact CG-CD2 3.87Å; F38-L102 HydrophobicContact CZ-CB 4.28Å; F38-L102 HydrophobicContact CZ-CD2 3.92Å; F38-L102 HydrophobicContact CZ-CG 4.23Å; F38-L103 HydrophobicContact CE1-CD2 3.86Å; F38-L103 HydrophobicContact CE1-CG 4.07Å; F38-L103 HydrophobicContact CZ-CD2 4.28Å; F38-L103 HydrophobicContact CZ-CG 4.18Å; F38-F106 HydrophobicContact CB-CE2 4.45Å; F38-F106 AromaticContact CD1-CD2 3.83Å; F38-F106 HydrophobicContact CD1-CD2 3.83Å; F38-F106 AromaticContact CD1-CE2 3.6Å; F38-F106 HydrophobicContact CD1-CE2 3.6Å; F38-F106 HydrophobicContact CE1-CD2 4.16Å; F38-F106 HydrophobicContact CE1-CE2 4.32Å; F38-F106 HydrophobicContact CG-CE2 4.46Å
39A88.2Confident85.3Confident9 Ų948.6 Ų48.67%0.07427%0.272CS..Hα-helixtrans-66.8-37.8172.900000112.5A35 E43 V50 Y53A35-A39 WeakPolarHBondContact O-CB 3.29Å; A35-A39 PolarHBondContact O-N 2.88Å; A39-E43 PolarHBondContact O-N 2.94Å; A39-V50 HydrophobicContact CB-CG2 4.04Å; A39-Y53 HydrophobicContact CB-CD2 4.22Å; A39-Y53 HydrophobicContact CB-CE2 3.51Å
40A86Confident85.4Confident37 Ų3743.1 Ų43.131%0.30625%0.25SC..Hα-helixtrans-69.4-38.5174.100000112.4I23 N36 V37 E43 A44I23-A40 HydrophobicContact CD1-CB 4.01Å; N36-A40 VanDerWaalsContact O-CB 3.23Å; N36-A40 WeakPolarHBondContact O-CB 3.34Å; N36-A40 PolarHBondContact O-N 2.79Å; N36-A40 VanDerWaalsContact O-N 3.15Å; V37-A40 PolarHBondContact O-N 3.26Å; A40-E43 PolarHBondContact O-N 3.47Å; A40-A44 VanDerWaalsContact O-CB 3.23Å; A40-A44 WeakPolarHBondContact O-CB 3.28Å; A40-A44 PolarHBondContact O-N 3.48Å
41L88.3Confident85.3Confident2 Ų245.4 Ų45.41%0.0126%0.264CS..Hα-helixtrans-62.8-45.3172.9-77.4169.5000111.6I17 L18 C21 I23 V37 F38 A44 I45 F106I17-L41 HydrophobicContact CB-CD2 4.5Å; I17-L41 HydrophobicContact CG2-CD2 3.54Å; L18-L41 HydrophobicContact CD2-CD1 4.43Å; L18-L41 HydrophobicContact CD2-CD2 3.89Å; L18-L41 HydrophobicContact CD2-CG 4.06Å; L18-L41 HydrophobicContact CG-CD2 4.43Å; C21-L41 HydrophobicContact CB-CD2 4.42Å; I23-L41 HydrophobicContact CD1-CD2 3.97Å; I23-L41 HydrophobicContact CD1-CG 4.24Å; V37-L41 HydrophobicContact CG1-CD1 4.31Å; V37-L41 WeakPolarHBondContact O-CB 3.37Å; V37-L41 WeakPolarHBondContact O-CG 3.21Å; V37-L41 PolarHBondContact O-N 3.31Å; F38-L41 HydrophobicContact CD1-CD1 4.26Å; F38-L41 PolarHBondContact O-N 3.43Å; L41-A44 PolarHBondContact O-N 3.42Å; L41-I45 HydrophobicContact CB-CD1 4.43Å; L41-I45 HydrophobicContact CD2-CD1 4.34Å; L41-I45 WeakPolarHBondContact O-CB 3.44Å; L41-I45 VanDerWaalsContact O-CG1 3.25Å; L41-I45 WeakPolarHBondContact O-CG1 3.47Å; L41-I45 PolarHBondContact O-N 3.31Å; L41-F106 HydrophobicContact CB-CD1 4.45Å; L41-F106 HydrophobicContact CB-CE1 4.37Å; L41-F106 HydrophobicContact CB-CZ 4.5Å
42Y88.7Confident85.2Confident2 Ų249.5 Ų49.51%0.00828%0.284CS..Hα-helixtrans-55.9-52.4173.7-176.6-77.5000111.5F38 A44 I45 L46 E48 V50 V70 S73 L74 Y78F38-Y42 WeakPolarHBondContact O-CB 3.28Å; F38-Y42 PolarHBondContact O-N 3.16Å; Y42-A44 VanDerWaalsContact C-N 3.31Å; Y42-A44 PolarHBondContact O-N 2.8Å; Y42-I45 PolarHBondContact O-N 2.72Å; Y42-L46 HydrophobicContact CD1-CD1 4.43Å; Y42-L46 HydrophobicContact CD2-CD1 3.68Å; Y42-L46 HydrophobicContact CE1-CD1 4.27Å; Y42-L46 HydrophobicContact CE2-CD1 3.51Å; Y42-L46 HydrophobicContact CG-CD1 4.14Å; Y42-L46 WeakPolarHBondContact O-CB 3.15Å; Y42-L46 PolarHBondContact O-N 3.25Å; Y42-E48 WeakPolarHBondContact CD1-O 3.24Å; Y42-E48 HydrophobicContact CE1-CB 4.45Å; Y42-E48 WeakPolarHBondContact CE1-O 3.29Å; Y42-V50 HydrophobicContact CD1-CB 4.49Å; Y42-V50 HydrophobicContact CD1-CG2 3.59Å; Y42-V50 HydrophobicContact CD2-CG2 4.49Å; Y42-V50 HydrophobicContact CE1-CG2 4.21Å; Y42-V50 HydrophobicContact CG-CG2 3.77Å; Y42-V70 HydrophobicContact CD2-CG1 4.1Å; Y42-S73 PolarHBondContact OH-OG 3Å; Y42-S73 VanDerWaalsContact OH-OG 3.06Å; Y42-L74 HydrophobicContact CD2-CD2 4.28Å; Y42-L74 HydrophobicContact CD2-CG 4.31Å; Y42-L74 HydrophobicContact CE2-CD2 4.25Å; Y42-L74 HydrophobicContact CE2-CG 4.32Å; Y42-Y78 HydrophobicContact CE2-CE2 4.41Å; Y42-Y78 WeakPolarHBondContact OH-CE2 3.28Å
43E89Confident85.3Confident88 Ų8850.3 Ų50.341%0.41128%0.284SS..Hα-helixtrans-65.6-31.6-179.5-174.316917400112.8A39 A40 G47 E48 K49A39-E43 PolarHBondContact O-N 2.94Å; A40-E43 PolarHBondContact O-N 3.47Å; E43-G47 VanDerWaalsContact O-CA 3.29Å; E43-G47 WeakPolarHBondContact O-CA 3.23Å; E43-G47 PolarHBondContact O-N 3.29Å; E43-E48 WeakPolarHBondContact CA-O 3.28Å; E43-K49 IonicContact OE1-NZ 2.41Å; E43-K49 PolarHBondContact OE1-NZ 2.79Å; E43-K49 IonicContact OE2-NZ 3.95Å; E43-K49 PolarHBondContact OE2-NZ 2.9Å
44A85Confident85.4Confident50 Ų5052.6 Ų52.641%0.41330%0.295SS..Hα-helixtrans-80.1-33.417900000114.3C21 I23 A40 L41 Y42C21-A44 HydrophobicContact CB-CB 3.88Å; I23-A44 HydrophobicContact CD1-CB 4.03Å; I23-A44 HydrophobicContact CG1-CB 4.41Å; A40-A44 VanDerWaalsContact O-CB 3.23Å; A40-A44 WeakPolarHBondContact O-CB 3.28Å; A40-A44 PolarHBondContact O-N 3.48Å; L41-A44 PolarHBondContact O-N 3.42Å; Y42-A44 VanDerWaalsContact C-N 3.31Å; Y42-A44 PolarHBondContact O-N 2.8Å
45I84.8Confident85.1Confident19 Ų1951.4 Ų51.410%0.09730%0.299CS..Hα-helixtrans-85.7-40.9-177.6-65.9168.8000111I17 C21 L41 Y42 F106 L110 L113I17-I45 HydrophobicContact CG2-CD1 4.29Å; C21-I45 WeakPolarHBondContact SG-CG1 3.3Å; L41-I45 HydrophobicContact CB-CD1 4.43Å; L41-I45 HydrophobicContact CD2-CD1 4.34Å; L41-I45 WeakPolarHBondContact O-CB 3.44Å; L41-I45 VanDerWaalsContact O-CG1 3.25Å; L41-I45 WeakPolarHBondContact O-CG1 3.47Å; L41-I45 PolarHBondContact O-N 3.31Å; Y42-I45 PolarHBondContact O-N 2.72Å; I45-F106 HydrophobicContact CD1-CB 4.28Å; I45-F106 HydrophobicContact CD1-CD1 3.63Å; I45-F106 HydrophobicContact CD1-CE1 4.4Å; I45-F106 HydrophobicContact CD1-CG 4.34Å; I45-L110 HydrophobicContact CD1-CB 4.34Å; I45-L110 HydrophobicContact CG1-CD1 4.43Å; I45-L113 HydrophobicContact CG2-CD1 3.72Å; I45-L113 WeakPolarHBondContact O-CD1 3.48Å
46L84.3Confident84.6Confident33 Ų3358.3 Ų58.317%0.17334%0.335CS..Hα-helixtrans-102.1-12.8-172.8-56.3172.9000113.2Y42 E48 L74 Y78 L113Y42-L46 HydrophobicContact CD1-CD1 4.43Å; Y42-L46 HydrophobicContact CD2-CD1 3.68Å; Y42-L46 HydrophobicContact CE1-CD1 4.27Å; Y42-L46 HydrophobicContact CE2-CD1 3.51Å; Y42-L46 HydrophobicContact CG-CD1 4.14Å; Y42-L46 WeakPolarHBondContact O-CB 3.15Å; Y42-L46 PolarHBondContact O-N 3.25Å; L46-E48 PolarHBondContact O-N 2.94Å; L46-E48 VanDerWaalsContact O-N 3.16Å; L46-L74 HydrophobicContact CD1-CD2 3.91Å; L46-Y78 HydrophobicContact CB-CE1 4.49Å; L46-Y78 HydrophobicContact CD1-CD1 4.4Å; L46-Y78 HydrophobicContact CD1-CD2 4.09Å; L46-Y78 HydrophobicContact CD1-CE1 4.13Å; L46-Y78 HydrophobicContact CD1-CE2 3.8Å; L46-Y78 HydrophobicContact CD1-CG 4.39Å; L46-Y78 HydrophobicContact CD2-CD1 3.94Å; L46-Y78 HydrophobicContact CD2-CE1 3.8Å; L46-Y78 HydrophobicContact CG-CE1 4.36Å; L46-L113 HydrophobicContact CD2-CD1 4.28Å
47G79.6Confident84.2Confident66 Ų6656.3 Ų56.368%0.6833%0.327SS*.SBendtrans72-1.7-179.100000115.1E43E43-G47 VanDerWaalsContact O-CA 3.29Å; E43-G47 WeakPolarHBondContact O-CA 3.23Å; E43-G47 PolarHBondContact O-N 3.29Å
48E83.6Confident83.5Confident118 Ų11859.4 Ų59.455%0.55136%0.362SS*.SBendtrans-109.5159.8-179.1-62.4-158.1164.600112.3Y42 E43 L46Y42-E48 WeakPolarHBondContact CD1-O 3.24Å; Y42-E48 HydrophobicContact CE1-CB 4.45Å; Y42-E48 WeakPolarHBondContact CE1-O 3.29Å; E43-E48 WeakPolarHBondContact CA-O 3.28Å; L46-E48 PolarHBondContact O-N 2.94Å; L46-E48 VanDerWaalsContact O-N 3.16Å
49K82.6Confident83.2Confident142 Ų14261.5 Ų61.562%0.61738%0.377SS*.PPolyproline II helixtrans-90.6137.9178-67.9-171.8173.6-640110.8E43E43-K49 IonicContact OE1-NZ 2.41Å; E43-K49 PolarHBondContact OE1-NZ 2.79Å; E43-K49 IonicContact OE2-NZ 3.95Å; E43-K49 PolarHBondContact OE2-NZ 2.9Å
50V84.4Confident83.1Confident13 Ų1366.3 Ų66.38%0.07940%0.397CS..PPolyproline II helixtrans-50.8127.7175.9-179.20000110.8A39 Y42 Y53 V70A39-V50 HydrophobicContact CB-CG2 4.04Å; Y42-V50 HydrophobicContact CD1-CB 4.49Å; Y42-V50 HydrophobicContact CD1-CG2 3.59Å; Y42-V50 HydrophobicContact CD2-CG2 4.49Å; Y42-V50 HydrophobicContact CE1-CG2 4.21Å; Y42-V50 HydrophobicContact CG-CG2 3.77Å; V50-Y53 HydrophobicContact CB-CD2 4.16Å; V50-Y53 HydrophobicContact CB-CG 4.46Å; V50-Y53 HydrophobicContact CG1-CD2 4.24Å; V50-Y53 WeakPolarHBondContact O-CB 3.34Å; V50-V70 HydrophobicContact CB-CG2 4.34Å; V50-V70 HydrophobicContact CG1-CG2 3.7Å; V50-V70 HydrophobicContact CG2-CG2 3.62Å
51P82.4Confident83.2Confident57 Ų5771 Ų7137%0.3741%0.413SS..THydrogen-bonded Turntrans-58.3140.1176.3-27.336.6000113.3Y53 S69P51-Y53 PolarHBondContact O-N 3.42Å; P51-S69 WeakPolarHBondContact O-CB 3.45Å; P51-S69 PolarHBondContact O-OG 2.83Å
52D82.1Confident83.2Confident141 Ų14172.9 Ų72.975%0.75442%0.423SS*.THydrogen-bonded Turntrans49.831.2178.3-64.9-25.6000115.7I54 H65D52-I54 PolarHBondContact O-N 3.38Å; D52-H65 PolarHBondContact O-CE1 2.84Å
53Y86.1Confident83.2Confident75 Ų7574.7 Ų74.729%0.29443%0.433SS..  trans-65.2124-178-173.7-102.2000114.3N36 A39 V50 P51 A55 N66N36-Y53 PolarHBondContact OD1-OH 3.42Å; A39-Y53 HydrophobicContact CB-CD2 4.22Å; A39-Y53 HydrophobicContact CB-CE2 3.51Å; V50-Y53 HydrophobicContact CB-CD2 4.16Å; V50-Y53 HydrophobicContact CB-CG 4.46Å; V50-Y53 HydrophobicContact CG1-CD2 4.24Å; V50-Y53 WeakPolarHBondContact O-CB 3.34Å; P51-Y53 PolarHBondContact O-N 3.42Å; Y53-A55 HydrophobicContact CD1-CB 4.41Å; Y53-A55 HydrophobicContact CE1-CB 4.48Å; Y53-A55 PolarHBondContact O-N 2.87Å; Y53-N66 HydrophobicContact CD2-CB 4.04Å; Y53-N66 HydrophobicContact CE2-CB 3.87Å
54I86.3Confident83.3Confident51 Ų5172.2 Ų72.226%0.26242%0.424SS..  trans-82.395.4176.9-54.7174.1000108.8D52 N56 D62 H65 N66D52-I54 PolarHBondContact O-N 3.38Å; I54-N56 PolarHBondContact O-N 3.04Å; I54-N56 VanDerWaalsContact O-N 3.12Å; I54-D62 HydrophobicContact CD1-CB 4.01Å; I54-D62 HydrophobicContact CG2-CB 4.26Å; I54-H65 HydrophobicContact CD1-CB 4.04Å; I54-N66 WeakPolarHBondContact CB-OD1 3.48Å; I54-N66 PolarHBondContact N-OD1 3.22Å; I54-N66 PolarHBondContact O-ND2 2.91Å
55A75.8Confident83.7Confident75 Ų7573.9 Ų73.962%0.6242%0.423SS*.SBendtrans-65.6-13-173.300000116.2Y53Y53-A55 HydrophobicContact CD1-CB 4.41Å; Y53-A55 HydrophobicContact CE1-CB 4.48Å; Y53-A55 PolarHBondContact O-N 2.87Å
56N74.3Confident84Confident147 Ų14773 Ų7379%0.78642%0.418SS*.SBendtrans-135.783.4172.6-68.9-66.6000108.8I54 G58I54-N56 PolarHBondContact O-N 3.04Å; I54-N56 VanDerWaalsContact O-N 3.12Å; N56-G58 PolarHBondContact O-N 3.33Å
57P79Confident84.4Confident45 Ų4571.5 Ų71.529%0.29241%0.41SS..  trans-62.9126.4176.425.9-32.9000109.8D62P57-D62 HydrophobicContact CB-CB 3.7Å
58G73.1Confident84.9Confident77 Ų7770.8 Ų70.879%0.79439%0.389SS*.  trans-108.4-11.8179.100000113.5N56 D62N56-G58 PolarHBondContact O-N 3.33Å; G58-D62 PolarHBondContact N-OD2 3.01Å
59S84.3Confident85.3Confident45 Ų4566 Ų6632%0.31537%0.369SS..SBendtrans-140.8162.3-176.566.60000111E61 D62S59-E61 WeakPolarHBondContact CB-OE2 3.37Å; S59-E61 PolarHBondContact O-N 3.33Å; S59-D62 WeakPolarHBondContact CB-OD2 3.45Å; S59-D62 PolarHBondContact N-OD2 2.84Å; S59-D62 PolarHBondContact O-N 2.86Å; S59-D62 PolarHBondContact OG-N 3.48Å; S59-D62 PolarHBondContact OG-OD2 3.35Å
60Q86.3Confident85.8Confident109 Ų10959.2 Ų59.251%0.50934%0.34SS..Hα-helixtrans-65.9-28.8177.2-171.3175.6-5.700111D62 D63 V64 V92Q60-D62 VanDerWaalsContact C-N 3.33Å; Q60-D63 PolarHBondContact O-N 3.45Å; Q60-V64 WeakPolarHBondContact O-CG2 3.46Å; Q60-V64 PolarHBondContact O-N 2.88Å; Q60-V92 HydrophobicContact CG-CG1 3.49Å; Q60-V92 VanDerWaalsContact CG-CG1 3.49Å
61E87.8Confident86.1Confident135 Ų13558.7 Ų58.763%0.63134%0.336SS*.Hα-helixtrans-65.2-32.3175-65.677.4-177.700112.6S59 V64 H65S59-E61 WeakPolarHBondContact CB-OE2 3.37Å; S59-E61 PolarHBondContact O-N 3.33Å; E61-V64 PolarHBondContact O-N 2.96Å; E61-H65 PolarHBondContact O-N 3.12Å
62D88.9Confident86.6Confident42 Ų4259.7 Ų59.723%0.22534%0.338CS..Hα-helixtrans-70.3-39.8174.3-57.1-52.8000111.7I54 P57 G58 S59 Q60 V64 H65 N66I54-D62 HydrophobicContact CD1-CB 4.01Å; I54-D62 HydrophobicContact CG2-CB 4.26Å; P57-D62 HydrophobicContact CB-CB 3.7Å; G58-D62 PolarHBondContact N-OD2 3.01Å; S59-D62 WeakPolarHBondContact CB-OD2 3.45Å; S59-D62 PolarHBondContact N-OD2 2.84Å; S59-D62 PolarHBondContact O-N 2.86Å; S59-D62 PolarHBondContact OG-N 3.48Å; S59-D62 PolarHBondContact OG-OD2 3.35Å; Q60-D62 VanDerWaalsContact C-N 3.33Å; D62-V64 VanDerWaalsContact C-N 3.33Å; D62-H65 WeakPolarHBondContact O-CB 3.35Å; D62-H65 PolarHBondContact O-N 3.28Å; D62-N66 WeakPolarHBondContact O-CB 3.32Å; D62-N66 PolarHBondContact O-N 3.26Å
63D88.2Confident87Confident41 Ų4153.3 Ų53.322%0.21931%0.305CS..Hα-helixtrans-65.2-37.7173.8-79-37.9000111.4A35 Q60 N66 I67 V92A35-D63 HydrophobicContact CB-CB 4.09Å; A35-D63 WeakPolarHBondContact CB-OD1 3.5Å; Q60-D63 PolarHBondContact O-N 3.45Å; D63-N66 PolarHBondContact O-N 2.85Å; D63-I67 PolarHBondContact O-N 3.42Å; D63-I67 VanDerWaalsContact O-N 3.09Å; D63-V92 HydrophobicContact CB-CG1 4.21Å; D63-V92 HydrophobicContact CB-CG2 4.01Å
64V91.6Very high87.1Confident36 Ų3649.7 Ų49.722%0.21829%0.291CS..Hα-helixtrans-63.8-44173.8167.70000110.8Q60 E61 D62 I67 Q68 E89 V92Q60-V64 WeakPolarHBondContact O-CG2 3.46Å; Q60-V64 PolarHBondContact O-N 2.88Å; E61-V64 PolarHBondContact O-N 2.96Å; D62-V64 VanDerWaalsContact C-N 3.33Å; V64-I67 PolarHBondContact O-N 2.89Å; V64-Q68 WeakPolarHBondContact O-CB 3.36Å; V64-Q68 PolarHBondContact O-N 2.83Å; V64-E89 HydrophobicContact CG1-CB 4.35Å; V64-V92 HydrophobicContact CB-CG2 4.44Å; V64-V92 HydrophobicContact CG2-CB 3.74Å; V64-V92 HydrophobicContact CG2-CG1 4.19Å; V64-V92 HydrophobicContact CG2-CG2 3.67Å
65H92Very high87.3Confident84 Ų8447.9 Ų47.939%0.38928%0.283SS..Hα-helixtrans-59.6-50.1174.7-175.7-77000111.2D52 I54 E61 D62 I67 Q68 S69D52-H65 PolarHBondContact O-CE1 2.84Å; I54-H65 HydrophobicContact CD1-CB 4.04Å; E61-H65 PolarHBondContact O-N 3.12Å; D62-H65 WeakPolarHBondContact O-CB 3.35Å; D62-H65 PolarHBondContact O-N 3.28Å; H65-I67 VanDerWaalsContact C-N 3.32Å; H65-I67 PolarHBondContact O-N 3.45Å; H65-Q68 PolarHBondContact O-N 2.9Å; H65-Q68 VanDerWaalsContact O-N 3.1Å; H65-S69 PolarHBondContact O-N 3.23Å; H65-S69 PolarHBondContact O-OG 3.35Å
66N91.1Very high87.9Confident1 Ų150.3 Ų50.31%0.00529%0.285CS..Hα-helixtrans-57.9-40.5-179.5-78-14.4000113.1A35 Y53 I54 D62 D63 V70A35-N66 HydrophobicContact CB-CB 4.17Å; Y53-N66 HydrophobicContact CD2-CB 4.04Å; Y53-N66 HydrophobicContact CE2-CB 3.87Å; I54-N66 WeakPolarHBondContact CB-OD1 3.48Å; I54-N66 PolarHBondContact N-OD1 3.22Å; I54-N66 PolarHBondContact O-ND2 2.91Å; D62-N66 WeakPolarHBondContact O-CB 3.32Å; D62-N66 PolarHBondContact O-N 3.26Å; D63-N66 PolarHBondContact O-N 2.85Å; N66-V70 PolarHBondContact O-N 3.48Å
67I92.1Very high88.3Confident1 Ų148 Ų481%0.00527%0.272CS..Hα-helixtrans-75.3-35.8175.9-67.4160.9000111.4A35 D63 V64 H65 S69 V70 I71 I91 V92 L102A35-I67 HydrophobicContact CB-CD1 3.69Å; A35-I67 HydrophobicContact CB-CG1 3.61Å; D63-I67 PolarHBondContact O-N 3.42Å; D63-I67 VanDerWaalsContact O-N 3.09Å; V64-I67 PolarHBondContact O-N 2.89Å; H65-I67 VanDerWaalsContact C-N 3.32Å; H65-I67 PolarHBondContact O-N 3.45Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-S69 PolarHBondContact O-N 2.87Å; I67-V70 WeakPolarHBondContact O-CB 3.35Å; I67-V70 PolarHBondContact O-N 3.47Å; I67-I71 HydrophobicContact CG2-CD1 3.8Å; I67-I71 HydrophobicContact CG2-CG1 4.33Å; I67-I71 WeakPolarHBondContact O-CG1 3.48Å; I67-I71 PolarHBondContact O-N 3.5Å; I67-I91 HydrophobicContact CD1-CB 4.39Å; I67-I91 HydrophobicContact CD1-CG2 3.72Å; I67-I91 HydrophobicContact CG2-CB 4.27Å; I67-I91 HydrophobicContact CG2-CD1 3.84Å; I67-I91 HydrophobicContact CG2-CG2 4.28Å; I67-V92 HydrophobicContact CD1-CG2 3.49Å; I67-V92 VanDerWaalsContact CD1-CG2 3.49Å; I67-L102 HydrophobicContact CG2-CD2 4.5Å
68Q92.2Very high88.5Confident51 Ų5149.8 Ų49.824%0.23827%0.274CS..Hα-helixtrans-66.2-36.9176.5-161.762.550.900111.5V64 H65 V70 I71 D72V64-Q68 WeakPolarHBondContact O-CB 3.36Å; V64-Q68 PolarHBondContact O-N 2.83Å; H65-Q68 PolarHBondContact O-N 2.9Å; H65-Q68 VanDerWaalsContact O-N 3.1Å; Q68-V70 VanDerWaalsContact C-N 3.32Å; Q68-V70 PolarHBondContact O-N 3.39Å; Q68-I71 PolarHBondContact O-N 2.9Å; Q68-D72 PolarHBondContact NE2-OD1 3.08Å; Q68-D72 VanDerWaalsContact O-CB 3.31Å; Q68-D72 WeakPolarHBondContact O-CB 3.34Å; Q68-D72 VanDerWaalsContact O-CG 3.25Å; Q68-D72 PolarHBondContact O-N 3.17Å
69S91.6Very high89Confident17 Ų1748.7 Ų48.712%0.11925%0.25CC..Hα-helixtrans-58.6-40.3170.1-70.80000113P51 H65 I67 S73P51-S69 WeakPolarHBondContact O-CB 3.45Å; P51-S69 PolarHBondContact O-OG 2.83Å; H65-S69 PolarHBondContact O-N 3.23Å; H65-S69 PolarHBondContact O-OG 3.35Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-S69 PolarHBondContact O-N 2.87Å; S69-S73 WeakPolarHBondContact O-CB 3.43Å; S69-S73 PolarHBondContact O-N 2.96Å; S69-S73 VanDerWaalsContact O-N 3.09Å
70V91.8Very high88.9Confident1 Ų154.3 Ų54.31%0.00627%0.271CS..Hα-helixtrans-62.4-49.8173.6170.70000110.4Y42 V50 N66 I67 Q68 L74 F106Y42-V70 HydrophobicContact CD2-CG1 4.1Å; V50-V70 HydrophobicContact CB-CG2 4.34Å; V50-V70 HydrophobicContact CG1-CG2 3.7Å; V50-V70 HydrophobicContact CG2-CG2 3.62Å; N66-V70 PolarHBondContact O-N 3.48Å; I67-V70 WeakPolarHBondContact O-CB 3.35Å; I67-V70 PolarHBondContact O-N 3.47Å; Q68-V70 VanDerWaalsContact C-N 3.32Å; Q68-V70 PolarHBondContact O-N 3.39Å; V70-L74 HydrophobicContact CG1-CD1 3.88Å; V70-L74 HydrophobicContact CG1-CG 4.44Å; V70-L74 WeakPolarHBondContact O-CB 3.5Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 3.36Å; V70-F106 HydrophobicContact CG1-CE2 4.13Å; V70-F106 HydrophobicContact CG1-CZ 3.76Å
71I92.1Very high88.8Confident1 Ų154.3 Ų54.31%0.00527%0.273CS..Hα-helixtrans-62.7-45.4-179.1-66.8164.4000111.3I67 Q68 L74 A75 L83 I86 I91 L102I67-I71 HydrophobicContact CG2-CD1 3.8Å; I67-I71 HydrophobicContact CG2-CG1 4.33Å; I67-I71 WeakPolarHBondContact O-CG1 3.48Å; I67-I71 PolarHBondContact O-N 3.5Å; Q68-I71 PolarHBondContact O-N 2.9Å; I71-L74 PolarHBondContact O-N 3.29Å; I71-A75 WeakPolarHBondContact O-CB 3.46Å; I71-A75 PolarHBondContact O-N 2.61Å; I71-L83 HydrophobicContact CG2-CB 3.84Å; I71-L83 HydrophobicContact CG2-CD1 4.07Å; I71-I86 HydrophobicContact CD1-CG2 3.84Å; I71-I86 HydrophobicContact CG1-CG2 4.38Å; I71-I91 HydrophobicContact CD1-CD1 4.16Å; I71-L102 HydrophobicContact CG1-CD1 4.41Å; I71-L102 HydrophobicContact CG1-CD2 4.36Å
72D91.6Very high88.5Confident78 Ų7852.2 Ų52.242%0.41727%0.274SS..Hα-helixtrans-69.2-40.1-175.2-71.7-3.9000111.1Q68 A75 L76Q68-D72 PolarHBondContact NE2-OD1 3.08Å; Q68-D72 VanDerWaalsContact O-CB 3.31Å; Q68-D72 WeakPolarHBondContact O-CB 3.34Å; Q68-D72 VanDerWaalsContact O-CG 3.25Å; Q68-D72 PolarHBondContact O-N 3.17Å; D72-A75 PolarHBondContact O-N 2.88Å; D72-L76 VanDerWaalsContact O-CB 3.28Å; D72-L76 WeakPolarHBondContact O-CB 3.25Å; D72-L76 WeakPolarHBondContact O-CG 3.39Å; D72-L76 PolarHBondContact O-N 2.85Å
73S90.5Very high88.4Confident7 Ų750.8 Ų50.85%0.04927%0.266CS..Hα-helixtrans-70.2-41.3174.8-172.70000112.2Y42 S69 A75 L76 D77Y42-S73 PolarHBondContact OH-OG 3Å; Y42-S73 VanDerWaalsContact OH-OG 3.06Å; S69-S73 WeakPolarHBondContact O-CB 3.43Å; S69-S73 PolarHBondContact O-N 2.96Å; S69-S73 VanDerWaalsContact O-N 3.09Å; S73-A75 VanDerWaalsContact C-N 3.29Å; S73-A75 PolarHBondContact O-N 3.47Å; S73-L76 PolarHBondContact O-N 3.43Å; S73-D77 VanDerWaalsContact CA-OD2 3.31Å; S73-D77 WeakPolarHBondContact CA-OD2 3.26Å; S73-D77 WeakPolarHBondContact CB-OD2 3.47Å; S73-D77 WeakPolarHBondContact O-CB 3.42Å; S73-D77 PolarHBondContact O-N 2.88Å; S73-D77 PolarHBondContact OG-OD2 3.15Å
74L89.7Confident88.2Confident0 Ų053.7 Ų53.70%029%0.29CS..Iπ-helixtrans-58.1-42170.5-73.3176.3000112Y42 L46 V70 I71 Y78 L79 L83 L102 I105 F106 L109Y42-L74 HydrophobicContact CD2-CD2 4.28Å; Y42-L74 HydrophobicContact CD2-CG 4.31Å; Y42-L74 HydrophobicContact CE2-CD2 4.25Å; Y42-L74 HydrophobicContact CE2-CG 4.32Å; L46-L74 HydrophobicContact CD1-CD2 3.91Å; V70-L74 HydrophobicContact CG1-CD1 3.88Å; V70-L74 HydrophobicContact CG1-CG 4.44Å; V70-L74 WeakPolarHBondContact O-CB 3.5Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 3.36Å; I71-L74 PolarHBondContact O-N 3.29Å; L74-Y78 HydrophobicContact CD2-CD2 4.4Å; L74-L79 HydrophobicContact CB-CD1 4.33Å; L74-L79 VanDerWaalsContact O-CB 3.25Å; L74-L79 WeakPolarHBondContact O-CB 3.47Å; L74-L79 WeakPolarHBondContact O-CG 3.38Å; L74-L79 PolarHBondContact O-N 3.35Å; L74-L83 HydrophobicContact CB-CD1 4.31Å; L74-L102 HydrophobicContact CD1-CD1 4.04Å; L74-I105 HydrophobicContact CD1-CG2 4.35Å; L74-F106 HydrophobicContact CD1-CE1 4.16Å; L74-F106 HydrophobicContact CD1-CE2 4.06Å; L74-F106 HydrophobicContact CD1-CZ 3.73Å; L74-L109 HydrophobicContact CD2-CD1 3.7Å
75A90.6Very high87.7Confident12 Ų1257.5 Ų57.510%0.09930%0.304CS..Iπ-helixtrans-70.4-37.4-179.300000113.6I71 D72 S73 Q80 I81 L83I71-A75 WeakPolarHBondContact O-CB 3.46Å; I71-A75 PolarHBondContact O-N 2.61Å; D72-A75 PolarHBondContact O-N 2.88Å; S73-A75 VanDerWaalsContact C-N 3.29Å; S73-A75 PolarHBondContact O-N 3.47Å; A75-Q80 CarbonylContact O-C 3.53Å; A75-Q80 WeakPolarHBondContact O-CA 3.38Å; A75-Q80 PolarHBondContact O-N 3.23Å; A75-Q80 VanDerWaalsContact O-N 3.11Å; A75-I81 WeakPolarHBondContact CA-O 3.41Å; A75-I81 WeakPolarHBondContact CB-O 3.3Å; A75-I81 PolarHBondContact O-N 2.81Å; A75-I81 VanDerWaalsContact O-N 3.11Å; A75-L83 HydrophobicContact CB-CB 4.26Å; A75-L83 HydrophobicContact CB-CD1 4.21Å; A75-L83 HydrophobicContact CB-CG 3.96Å
76L86.9Confident87.6Confident127 Ų12753.6 Ų53.667%0.66529%0.286SS*.Iπ-helixtrans-89.5-49.5-175.5-68.8171.3000112.9D72 S73D72-L76 VanDerWaalsContact O-CB 3.28Å; D72-L76 WeakPolarHBondContact O-CB 3.25Å; D72-L76 WeakPolarHBondContact O-CG 3.39Å; D72-L76 PolarHBondContact O-N 2.85Å; S73-L76 PolarHBondContact O-N 3.43Å
77D83.8Confident87.5Confident97 Ų9755.4 Ų55.452%0.51930%0.298SS..Iπ-helixtrans-91.6-38-164.7-53.1-52.1000112S73S73-D77 VanDerWaalsContact CA-OD2 3.31Å; S73-D77 WeakPolarHBondContact CA-OD2 3.26Å; S73-D77 WeakPolarHBondContact CB-OD2 3.47Å; S73-D77 WeakPolarHBondContact O-CB 3.42Å; S73-D77 PolarHBondContact O-N 2.88Å; S73-D77 PolarHBondContact OG-OD2 3.15Å
78Y83.4Confident87.3Confident84 Ų8455.4 Ų55.433%0.32930%0.298SS..Iπ-helixtrans-105.3-51.4-172.4-62-85.7000114Y42 L46 L74Y42-Y78 HydrophobicContact CE2-CE2 4.41Å; Y42-Y78 WeakPolarHBondContact OH-CE2 3.28Å; L46-Y78 HydrophobicContact CB-CE1 4.49Å; L46-Y78 HydrophobicContact CD1-CD1 4.4Å; L46-Y78 HydrophobicContact CD1-CD2 4.09Å; L46-Y78 HydrophobicContact CD1-CE1 4.13Å; L46-Y78 HydrophobicContact CD1-CE2 3.8Å; L46-Y78 HydrophobicContact CD1-CG 4.39Å; L46-Y78 HydrophobicContact CD2-CD1 3.94Å; L46-Y78 HydrophobicContact CD2-CE1 3.8Å; L46-Y78 HydrophobicContact CG-CE1 4.36Å; L74-Y78 HydrophobicContact CD2-CD2 4.4Å
79L83.7Confident87.2Confident53 Ų5357.4 Ų57.428%0.27731%0.307SS..SBendtrans-91.4-24.3-174.3-60.5170.1000113.6L74 I81 L83 I105 L109L74-L79 HydrophobicContact CB-CD1 4.33Å; L74-L79 VanDerWaalsContact O-CB 3.25Å; L74-L79 WeakPolarHBondContact O-CB 3.47Å; L74-L79 WeakPolarHBondContact O-CG 3.38Å; L74-L79 PolarHBondContact O-N 3.35Å; L79-I81 WeakPolarHBondContact O-CG1 3.39Å; L79-I81 PolarHBondContact O-N 3.37Å; L79-I81 VanDerWaalsContact O-N 3.11Å; L79-L83 HydrophobicContact CD1-CD1 4.03Å; L79-L83 HydrophobicContact CD1-CD2 4.24Å; L79-L83 HydrophobicContact CD1-CG 4.45Å; L79-I105 HydrophobicContact CD1-CG2 3.84Å; L79-L109 HydrophobicContact CD2-CD2 4.02Å; L79-L109 HydrophobicContact CD2-CG 4.45Å
80Q81.8Confident87.1Confident164 Ų16459.1 Ų59.177%0.76632%0.315SS*.  trans5327.3-175-55.9-175.97.500114.2A75A75-Q80 CarbonylContact O-C 3.53Å; A75-Q80 WeakPolarHBondContact O-CA 3.38Å; A75-Q80 PolarHBondContact O-N 3.23Å; A75-Q80 VanDerWaalsContact O-N 3.11Å
81I84.3Confident87Confident109 Ų10959.3 Ų59.356%0.55932%0.316SS*.SBendtrans-128.8135-174.9-70.6164.1000108.9A75 L79 L83A75-I81 WeakPolarHBondContact CA-O 3.41Å; A75-I81 WeakPolarHBondContact CB-O 3.3Å; A75-I81 PolarHBondContact O-N 2.81Å; A75-I81 VanDerWaalsContact O-N 3.11Å; L79-I81 WeakPolarHBondContact O-CG1 3.39Å; L79-I81 PolarHBondContact O-N 3.37Å; L79-I81 VanDerWaalsContact O-N 3.11Å; I81-L83 PolarHBondContact O-N 3.35Å
82S81.5Confident86.9Confident91 Ų9161.1 Ų61.164%0.63633%0.327SS*.  trans-71101.7-179.660.50000112.3S84S82-S84 PolarHBondContact O-N 3.28Å
83L86.3Confident86.6Confident12 Ų1265.2 Ų65.26%0.06334%0.336CS..  trans-71.432.2173.9-61.8-176000114.1I71 L74 A75 L79 I81 H85 I86 I105I71-L83 HydrophobicContact CG2-CB 3.84Å; I71-L83 HydrophobicContact CG2-CD1 4.07Å; L74-L83 HydrophobicContact CB-CD1 4.31Å; A75-L83 HydrophobicContact CB-CB 4.26Å; A75-L83 HydrophobicContact CB-CD1 4.21Å; A75-L83 HydrophobicContact CB-CG 3.96Å; L79-L83 HydrophobicContact CD1-CD1 4.03Å; L79-L83 HydrophobicContact CD1-CD2 4.24Å; L79-L83 HydrophobicContact CD1-CG 4.45Å; I81-L83 PolarHBondContact O-N 3.35Å; L83-H85 PolarHBondContact O-N 3.02Å; L83-I86 PolarHBondContact O-N 2.83Å; L83-I105 HydrophobicContact CD1-CD1 3.98Å; L83-I105 HydrophobicContact CD2-CD1 3.65Å; L83-I105 HydrophobicContact CG-CD1 4.47Å
84S84.1Confident86.4Confident102 Ų10266 Ų6671%0.71335%0.346SS*.THydrogen-bonded Turntrans-65-2.3-171.458.10000116.2S82S82-S84 PolarHBondContact O-N 3.28Å
85H81.4Confident86.4Confident115 Ų11569 Ų6953%0.53236%0.362SS..THydrogen-bonded Turntrans-96.1-9.3173.257.5-79.3000112.7L83L83-H85 PolarHBondContact O-N 3.02Å
86I88.6Confident86.3Confident2 Ų273 Ų731%0.0138%0.377CS..  trans-113.4130.3174-48.3179.5000107.2I71 L83 I91 N101 L102 I105I71-I86 HydrophobicContact CD1-CG2 3.84Å; I71-I86 HydrophobicContact CG1-CG2 4.38Å; L83-I86 PolarHBondContact O-N 2.83Å; I86-I91 HydrophobicContact CG2-CD1 3.73Å; I86-N101 HydrophobicContact CD1-CB 3.73Å; I86-N101 HydrophobicContact CG1-CB 4.11Å; I86-L102 HydrophobicContact CG2-CB 4.34Å; I86-I105 HydrophobicContact CD1-CD1 3.56Å
87T89.6Confident86.4Confident40 Ų4072.4 Ų72.425%0.24537%0.371CS..  trans-135.7148.4177.269.20000111E89 N90 I91T87-E89 PolarHBondContact O-N 3.4Å; T87-N90 PolarHBondContact O-N 3.33Å; T87-N90 VanDerWaalsContact OG1-CG 3.22Å; T87-N90 PolarHBondContact OG1-N 2.81Å; T87-N90 PolarHBondContact OG1-OD1 3.04Å; T87-I91 PolarHBondContact O-N 3.14Å; T87-I91 VanDerWaalsContact O-N 3.17Å
88G88.5Confident86.7Confident0 Ų068 Ų680%035%0.347CS..Hα-helixtrans-57.4-36.1172.800000112.1N90 I91 V92G88-N90 VanDerWaalsContact C-N 3.35Å; G88-N90 PolarHBondContact O-N 2.77Å; G88-I91 PolarHBondContact O-N 3.31Å; G88-V92 WeakPolarHBondContact O-CG2 3.39Å; G88-V92 PolarHBondContact O-N 3.26Å
89E89.8Confident87Confident94 Ų9464 Ų6444%0.43933%0.332SS..Hα-helixtrans-61.3-39.5177.5-168.8-17717800112.5V64 T87 R93V64-E89 HydrophobicContact CG1-CB 4.35Å; T87-E89 PolarHBondContact O-N 3.4Å; E89-R93 VanDerWaalsContact CD-NH1 3.32Å; E89-R93 WeakPolarHBondContact O-CB 3.37Å; E89-R93 WeakPolarHBondContact O-CD 3.43Å; E89-R93 WeakPolarHBondContact O-CG 3.41Å; E89-R93 PolarHBondContact O-N 3.43Å; E89-R93 IonicContact OE1-CZ 2.6Å; E89-R93 IonicContact OE1-NH1 2.84Å; E89-R93 PolarHBondContact OE1-NH1 3.41Å; E89-R93 IonicContact OE1-NH2 2.67Å; E89-R93 PolarHBondContact OE1-NH2 3.23Å
90N89.1Confident87.3Confident53 Ų5363 Ų6328%0.28333%0.325SS..Hα-helixtrans-71.4-43.2176.9-71.4-3.6000111.7T87 G88 R93 G94 D95 S98T87-N90 PolarHBondContact O-N 3.33Å; T87-N90 VanDerWaalsContact OG1-CG 3.22Å; T87-N90 PolarHBondContact OG1-N 2.81Å; T87-N90 PolarHBondContact OG1-OD1 3.04Å; G88-N90 VanDerWaalsContact C-N 3.35Å; G88-N90 PolarHBondContact O-N 2.77Å; N90-R93 WeakPolarHBondContact O-CB 3.33Å; N90-R93 PolarHBondContact O-N 2.83Å; N90-G94 PolarHBondContact O-N 3.45Å; N90-D95 HydrophobicContact CB-CB 4.07Å; N90-D95 WeakPolarHBondContact O-CB 3.35Å; N90-D95 PolarHBondContact O-N 3.1Å; N90-S98 VanDerWaalsContact CB-OG 3.22Å; N90-S98 WeakPolarHBondContact CB-OG 3.23Å; N90-S98 PolarHBondContact ND2-OG 2.92Å
91I89.7Confident87.7Confident5 Ų557.2 Ų57.23%0.02630%0.299CS..Hα-helixtrans-65.6-46.2-178-69.3171.9000111.2F38 I67 I71 I86 T87 G88 R93 G94 I99 L102F38-I91 HydrophobicContact CD2-CG2 4.27Å; F38-I91 HydrophobicContact CE2-CG2 3.81Å; I67-I91 HydrophobicContact CD1-CB 4.39Å; I67-I91 HydrophobicContact CD1-CG2 3.72Å; I67-I91 HydrophobicContact CG2-CB 4.27Å; I67-I91 HydrophobicContact CG2-CD1 3.84Å; I67-I91 HydrophobicContact CG2-CG2 4.28Å; I71-I91 HydrophobicContact CD1-CD1 4.16Å; I86-I91 HydrophobicContact CG2-CD1 3.73Å; T87-I91 PolarHBondContact O-N 3.14Å; T87-I91 VanDerWaalsContact O-N 3.17Å; G88-I91 PolarHBondContact O-N 3.31Å; I91-R93 PolarHBondContact O-N 3.12Å; I91-G94 WeakPolarHBondContact O-CA 3.49Å; I91-G94 PolarHBondContact O-N 2.89Å; I91-I99 HydrophobicContact CB-CG1 4.35Å; I91-I99 HydrophobicContact CG1-CG1 4.18Å; I91-I99 HydrophobicContact CG2-CG1 3.98Å; I91-L102 HydrophobicContact CD1-CB 4.16Å; I91-L102 HydrophobicContact CD1-CD2 3.52Å; I91-L102 HydrophobicContact CD1-CG 4.47Å
92V89.2Confident88Confident38 Ų3852 Ų5223%0.2327%0.273CS..Hα-helixtrans-68.2-20176.5-174.80000112.2Q60 D63 V64 I67 G88 G94Q60-V92 HydrophobicContact CG-CG1 3.49Å; Q60-V92 VanDerWaalsContact CG-CG1 3.49Å; D63-V92 HydrophobicContact CB-CG1 4.21Å; D63-V92 HydrophobicContact CB-CG2 4.01Å; V64-V92 HydrophobicContact CB-CG2 4.44Å; V64-V92 HydrophobicContact CG2-CB 3.74Å; V64-V92 HydrophobicContact CG2-CG1 4.19Å; V64-V92 HydrophobicContact CG2-CG2 3.67Å; I67-V92 HydrophobicContact CD1-CG2 3.49Å; I67-V92 VanDerWaalsContact CD1-CG2 3.49Å; G88-V92 WeakPolarHBondContact O-CG2 3.39Å; G88-V92 PolarHBondContact O-N 3.26Å; V92-G94 VanDerWaalsContact C-N 3.26Å
93R86.8Confident88.5Confident164 Ų16447.8 Ų47.862%0.61924%0.243SC*.THydrogen-bonded Turntrans-78.8-4.7168.4-78.3176.9175.114913.5114.2E89 N90 I91E89-R93 VanDerWaalsContact CD-NH1 3.32Å; E89-R93 WeakPolarHBondContact O-CB 3.37Å; E89-R93 WeakPolarHBondContact O-CD 3.43Å; E89-R93 WeakPolarHBondContact O-CG 3.41Å; E89-R93 PolarHBondContact O-N 3.43Å; E89-R93 IonicContact OE1-CZ 2.6Å; E89-R93 IonicContact OE1-NH1 2.84Å; E89-R93 PolarHBondContact OE1-NH1 3.41Å; E89-R93 IonicContact OE1-NH2 2.67Å; E89-R93 PolarHBondContact OE1-NH2 3.23Å; N90-R93 WeakPolarHBondContact O-CB 3.33Å; N90-R93 PolarHBondContact O-N 2.83Å; I91-R93 PolarHBondContact O-N 3.12Å
94G86.3Confident88.7Confident24 Ų2452.8 Ų52.825%0.24727%0.266CS..THydrogen-bonded Turntrans75.124.8-177.700000113.6N90 I91 V92 K96N90-G94 PolarHBondContact O-N 3.45Å; I91-G94 WeakPolarHBondContact O-CA 3.49Å; I91-G94 PolarHBondContact O-N 2.89Å; V92-G94 VanDerWaalsContact C-N 3.26Å; G94-K96 PolarHBondContact O-N 3.11Å
95D89.4Confident89Confident64 Ų6449.5 Ų49.534%0.34224%0.24SC..  trans-64.4116.2172.6175.240.8000110.3N90 E97 S98 I99N90-D95 HydrophobicContact CB-CB 4.07Å; N90-D95 WeakPolarHBondContact O-CB 3.35Å; N90-D95 PolarHBondContact O-N 3.1Å; D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 2.92Å; D95-E97 PolarHBondContact OD1-N 3.05Å; D95-S98 PolarHBondContact O-N 3.32Å; D95-S98 VanDerWaalsContact OD2-CB 3.22Å; D95-S98 WeakPolarHBondContact OD2-CB 3.29Å; D95-S98 PolarHBondContact OD2-N 3.17Å; D95-S98 PolarHBondContact OD2-OG 3.41Å; D95-I99 WeakPolarHBondContact O-CD1 3.19Å; D95-I99 VanDerWaalsContact O-CG1 3.24Å; D95-I99 WeakPolarHBondContact O-CG1 3.38Å; D95-I99 PolarHBondContact O-N 2.86Å
96K88.6Confident89.4Confident95 Ų9544 Ų4441%0.41322%0.215SC..Hα-helixtrans-66.4-34-172.5-63.1175.4-174.1173.30111.8E7 T31 G94 K100E7-K96 IonicContact OE1-NZ 2.72Å; E7-K96 PolarHBondContact OE1-NZ 3.47Å; T31-K96 HydrophobicContact CG2-CG 4.46Å; G94-K96 PolarHBondContact O-N 3.11Å; K96-K100 WeakPolarHBondContact O-CB 3.49Å; K96-K100 VanDerWaalsContact O-CG 3.24Å; K96-K100 WeakPolarHBondContact O-CG 3.14Å; K96-K100 PolarHBondContact O-N 2.82Å
97E87.9Confident89.4Confident114 Ų11446 Ų4653%0.53323%0.226SC..Hα-helixtrans-71.8-49.1-178.9-156.977.7153.900110.7D95 I99 K100 N101D95-E97 VanDerWaalsContact C-N 3.3Å; D95-E97 PolarHBondContact O-N 2.92Å; D95-E97 PolarHBondContact OD1-N 3.05Å; E97-I99 PolarHBondContact O-N 3.4Å; E97-K100 PolarHBondContact O-N 3.07Å; E97-K100 VanDerWaalsContact O-N 3.17Å; E97-N101 PolarHBondContact O-N 2.86Å; E97-N101 PolarHBondContact O-ND2 2.89Å; E97-N101 PolarHBondContact O-OD1 2.83Å
98S90.5Very high89.3Confident4 Ų445.8 Ų45.83%0.02823%0.231CC..Hα-helixtrans-59.1-33.7174.9-580000112.7N90 D95 L102N90-S98 VanDerWaalsContact CB-OG 3.22Å; N90-S98 WeakPolarHBondContact CB-OG 3.23Å; N90-S98 PolarHBondContact ND2-OG 2.92Å; D95-S98 PolarHBondContact O-N 3.32Å; D95-S98 VanDerWaalsContact OD2-CB 3.22Å; D95-S98 WeakPolarHBondContact OD2-CB 3.29Å; D95-S98 PolarHBondContact OD2-N 3.17Å; D95-S98 PolarHBondContact OD2-OG 3.41Å; S98-L102 PolarHBondContact O-N 3.3Å
99I90.3Very high89.2Confident1 Ų146.9 Ų46.91%0.00524%0.237CC..Hα-helixtrans-71.3-45.8174.5-67.3163.7000111.7V30 C33 F38 I91 D95 E97 L102 L103V30-I99 HydrophobicContact CG1-CB 4.06Å; V30-I99 HydrophobicContact CG1-CG2 3.43Å; V30-I99 VanDerWaalsContact CG1-CG2 3.43Å; C33-I99 HydrophobicContact CB-CG2 3.96Å; F38-I99 HydrophobicContact CZ-CG2 4.2Å; I91-I99 HydrophobicContact CB-CG1 4.35Å; I91-I99 HydrophobicContact CG1-CG1 4.18Å; I91-I99 HydrophobicContact CG2-CG1 3.98Å; D95-I99 WeakPolarHBondContact O-CD1 3.19Å; D95-I99 VanDerWaalsContact O-CG1 3.24Å; D95-I99 WeakPolarHBondContact O-CG1 3.38Å; D95-I99 PolarHBondContact O-N 2.86Å; E97-I99 PolarHBondContact O-N 3.4Å; I99-L102 PolarHBondContact O-N 3.16Å; I99-L103 HydrophobicContact CG2-CD1 3.85Å; I99-L103 HydrophobicContact CG2-CG 4.43Å; I99-L103 WeakPolarHBondContact O-CG 3.2Å; I99-L103 PolarHBondContact O-N 2.66Å
100K89.8Confident89Confident32 Ų3243.3 Ų43.314%0.13922%0.221CC..Hα-helixtrans-58.8-49.1177.7-77.5179.9177.3-158.80111.4D6 W10 K96 E97 L102 L103 E104D6-K100 PolarHBondContact O-NZ 2.76Å; W10-K100 HydrophobicContact CB-CG 4.35Å; W10-K100 HydrophobicContact CD2-CB 4.21Å; W10-K100 HydrophobicContact CD2-CD 3.88Å; W10-K100 HydrophobicContact CD2-CG 3.63Å; W10-K100 HydrophobicContact CE3-CB 4.06Å; W10-K100 HydrophobicContact CE3-CG 3.87Å; W10-K100 HydrophobicContact CG-CD 3.91Å; W10-K100 HydrophobicContact CG-CG 3.85Å; W10-K100 HydrophobicContact CH2-CB 4.39Å; W10-K100 HydrophobicContact CZ2-CD 4.46Å; W10-K100 HydrophobicContact CZ3-CB 4.15Å; W10-K100 HydrophobicContact CZ3-CG 4.45Å; K96-K100 WeakPolarHBondContact O-CB 3.49Å; K96-K100 VanDerWaalsContact O-CG 3.24Å; K96-K100 WeakPolarHBondContact O-CG 3.14Å; K96-K100 PolarHBondContact O-N 2.82Å; E97-K100 PolarHBondContact O-N 3.07Å; E97-K100 VanDerWaalsContact O-N 3.17Å; K100-L102 VanDerWaalsContact C-N 3.27Å; K100-L102 PolarHBondContact O-N 2.89Å; K100-L103 WeakPolarHBondContact O-CB 3.45Å; K100-L103 PolarHBondContact O-N 3.43Å; K100-E104 PolarHBondContact O-N 3.43Å
101N90.4Very high88.9Confident42 Ų4246.4 Ų46.423%0.22523%0.234CC..Hα-helixtrans-61.3-35.3-178.5-60.4-13.6000112I86 E97 I105I86-N101 HydrophobicContact CD1-CB 3.73Å; I86-N101 HydrophobicContact CG1-CB 4.11Å; E97-N101 PolarHBondContact O-N 2.86Å; E97-N101 PolarHBondContact O-ND2 2.89Å; E97-N101 PolarHBondContact O-OD1 2.83Å; N101-I105 WeakPolarHBondContact O-CD1 3.41Å; N101-I105 VanDerWaalsContact O-CG1 3.31Å; N101-I105 WeakPolarHBondContact O-CG1 3.44Å; N101-I105 PolarHBondContact O-N 2.84Å
102L91.3Very high88.7Confident0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-74.6-34.6174.9-171.959.4000112.5F38 I67 I71 L74 I86 I91 S98 I99 K100 I105 F106F38-L102 HydrophobicContact CD1-CD2 3.69Å; F38-L102 HydrophobicContact CD1-CG 4.01Å; F38-L102 HydrophobicContact CD2-CD2 4.1Å; F38-L102 HydrophobicContact CE1-CB 4.16Å; F38-L102 HydrophobicContact CE1-CD2 3.72Å; F38-L102 HydrophobicContact CE1-CG 3.76Å; F38-L102 HydrophobicContact CE2-CD2 4.12Å; F38-L102 HydrophobicContact CG-CD2 3.87Å; F38-L102 HydrophobicContact CZ-CB 4.28Å; F38-L102 HydrophobicContact CZ-CD2 3.92Å; F38-L102 HydrophobicContact CZ-CG 4.23Å; I67-L102 HydrophobicContact CG2-CD2 4.5Å; I71-L102 HydrophobicContact CG1-CD1 4.41Å; I71-L102 HydrophobicContact CG1-CD2 4.36Å; L74-L102 HydrophobicContact CD1-CD1 4.04Å; I86-L102 HydrophobicContact CG2-CB 4.34Å; I91-L102 HydrophobicContact CD1-CB 4.16Å; I91-L102 HydrophobicContact CD1-CD2 3.52Å; I91-L102 HydrophobicContact CD1-CG 4.47Å; S98-L102 PolarHBondContact O-N 3.3Å; I99-L102 PolarHBondContact O-N 3.16Å; K100-L102 VanDerWaalsContact C-N 3.27Å; K100-L102 PolarHBondContact O-N 2.89Å; L102-I105 PolarHBondContact O-N 3.22Å; L102-F106 HydrophobicContact CD1-CD2 4.23Å; L102-F106 HydrophobicContact CD1-CE2 3.97Å; L102-F106 HydrophobicContact CD2-CE2 4.35Å; L102-F106 HydrophobicContact CG-CD2 4.05Å; L102-F106 HydrophobicContact CG-CE2 3.94Å; L102-F106 VanDerWaalsContact O-CD2 3.26Å; L102-F106 WeakPolarHBondContact O-CD2 3.49Å; L102-F106 PolarHBondContact O-N 3.47Å; L102-F106 VanDerWaalsContact O-N 3.12Å
103L90.4Very high88.3Confident2 Ų253.3 Ų53.31%0.0126%0.26CS..Hα-helixtrans-66.9-39.6173.5-72.7166.6000112.2A14 I17 F38 I99 K100 I105 F106 D107A14-L103 HydrophobicContact CB-CD1 3.98Å; A14-L103 HydrophobicContact CB-CD2 4.03Å; I17-L103 HydrophobicContact CD1-CD2 4.32Å; F38-L103 HydrophobicContact CE1-CD2 3.86Å; F38-L103 HydrophobicContact CE1-CG 4.07Å; F38-L103 HydrophobicContact CZ-CD2 4.28Å; F38-L103 HydrophobicContact CZ-CG 4.18Å; I99-L103 HydrophobicContact CG2-CD1 3.85Å; I99-L103 HydrophobicContact CG2-CG 4.43Å; I99-L103 WeakPolarHBondContact O-CG 3.2Å; I99-L103 PolarHBondContact O-N 2.66Å; K100-L103 WeakPolarHBondContact O-CB 3.45Å; K100-L103 PolarHBondContact O-N 3.43Å; L103-I105 VanDerWaalsContact C-N 3.35Å; L103-F106 PolarHBondContact O-N 3.47Å; L103-F106 VanDerWaalsContact O-N 3.15Å; L103-D107 PolarHBondContact O-N 3.01Å
104E91.4Very high87.9Confident117 Ų11748.9 Ų48.955%0.54725%0.251SS..Hα-helixtrans-60.8-43175.1-173.3175.5-169.900111.4W10 K100 F106 D107 G108W10-E104 HydrophobicContact CH2-CB 4.09Å; W10-E104 HydrophobicContact CH2-CG 4.48Å; W10-E104 HydrophobicContact CZ3-CB 4.14Å; K100-E104 PolarHBondContact O-N 3.43Å; E104-F106 VanDerWaalsContact C-N 3.34Å; E104-F106 PolarHBondContact O-N 3.49Å; E104-D107 PolarHBondContact O-N 2.86Å; E104-G108 PolarHBondContact O-N 3.48Å
105I90.2Very high87.6Confident33 Ų3353.2 Ų53.217%0.16927%0.265CS..Hα-helixtrans-59-43.6172-72.4165.6000111.4L74 L79 L83 I86 N101 L102 L103 L109L74-I105 HydrophobicContact CD1-CG2 4.35Å; L79-I105 HydrophobicContact CD1-CG2 3.84Å; L83-I105 HydrophobicContact CD1-CD1 3.98Å; L83-I105 HydrophobicContact CD2-CD1 3.65Å; L83-I105 HydrophobicContact CG-CD1 4.47Å; I86-I105 HydrophobicContact CD1-CD1 3.56Å; N101-I105 WeakPolarHBondContact O-CD1 3.41Å; N101-I105 VanDerWaalsContact O-CG1 3.31Å; N101-I105 WeakPolarHBondContact O-CG1 3.44Å; N101-I105 PolarHBondContact O-N 2.84Å; L102-I105 PolarHBondContact O-N 3.22Å; L103-I105 VanDerWaalsContact C-N 3.35Å; I105-L109 HydrophobicContact CG2-CD1 3.81Å; I105-L109 WeakPolarHBondContact O-CB 3.29Å; I105-L109 WeakPolarHBondContact O-CD1 3.49Å; I105-L109 VanDerWaalsContact O-CG 3.24Å; I105-L109 WeakPolarHBondContact O-CG 3.41Å; I105-L109 PolarHBondContact O-N 3.09Å
106F89.8Confident86.7Confident0 Ų053.3 Ų53.30%026%0.264CS..Hα-helixtrans-71-35.6179.5-85.5-63.2000113.8F38 L41 I45 V70 L74 L102 L103 E104 L110F38-F106 HydrophobicContact CB-CE2 4.45Å; F38-F106 AromaticContact CD1-CD2 3.83Å; F38-F106 HydrophobicContact CD1-CD2 3.83Å; F38-F106 AromaticContact CD1-CE2 3.6Å; F38-F106 HydrophobicContact CD1-CE2 3.6Å; F38-F106 HydrophobicContact CE1-CD2 4.16Å; F38-F106 HydrophobicContact CE1-CE2 4.32Å; F38-F106 HydrophobicContact CG-CE2 4.46Å; L41-F106 HydrophobicContact CB-CD1 4.45Å; L41-F106 HydrophobicContact CB-CE1 4.37Å; L41-F106 HydrophobicContact CB-CZ 4.5Å; I45-F106 HydrophobicContact CD1-CB 4.28Å; I45-F106 HydrophobicContact CD1-CD1 3.63Å; I45-F106 HydrophobicContact CD1-CE1 4.4Å; I45-F106 HydrophobicContact CD1-CG 4.34Å; V70-F106 HydrophobicContact CG1-CE2 4.13Å; V70-F106 HydrophobicContact CG1-CZ 3.76Å; L74-F106 HydrophobicContact CD1-CE1 4.16Å; L74-F106 HydrophobicContact CD1-CE2 4.06Å; L74-F106 HydrophobicContact CD1-CZ 3.73Å; L102-F106 HydrophobicContact CD1-CD2 4.23Å; L102-F106 HydrophobicContact CD1-CE2 3.97Å; L102-F106 HydrophobicContact CD2-CE2 4.35Å; L102-F106 HydrophobicContact CG-CD2 4.05Å; L102-F106 HydrophobicContact CG-CE2 3.94Å; L102-F106 VanDerWaalsContact O-CD2 3.26Å; L102-F106 WeakPolarHBondContact O-CD2 3.49Å; L102-F106 PolarHBondContact O-N 3.47Å; L102-F106 VanDerWaalsContact O-N 3.12Å; L103-F106 PolarHBondContact O-N 3.47Å; L103-F106 VanDerWaalsContact O-N 3.15Å; E104-F106 VanDerWaalsContact C-N 3.34Å; E104-F106 PolarHBondContact O-N 3.49Å; F106-L110 VanDerWaalsContact O-CB 3.27Å; F106-L110 WeakPolarHBondContact O-CB 3.43Å; F106-L110 PolarHBondContact O-N 2.85Å
107D89.3Confident85.7Confident44 Ų4453.7 Ų53.724%0.23527%0.269CS..Hα-helixtrans-69.9-41.9175.6-154.531.5000111.1I17 K20 L103 E104 L110 E111I17-D107 HydrophobicContact CD1-CB 3.79Å; I17-D107 HydrophobicContact CG1-CB 3.97Å; I17-D107 WeakPolarHBondContact CG1-OD1 3.25Å; K20-D107 IonicContact NZ-OD1 3.12Å; K20-D107 PolarHBondContact NZ-OD1 3.44Å; K20-D107 IonicContact NZ-OD2 2.73Å; L103-D107 PolarHBondContact O-N 3.01Å; E104-D107 PolarHBondContact O-N 2.86Å; D107-L110 PolarHBondContact O-N 2.97Å; D107-E111 WeakPolarHBondContact O-CB 3.26Å; D107-E111 PolarHBondContact O-N 2.99Å
108G87.1Confident84.7Confident35 Ų3551.8 Ų51.836%0.36127%0.268SS..Hα-helixtrans-67-35.6176.300000114E104 Y112E104-G108 PolarHBondContact O-N 3.48Å; G108-Y112 WeakPolarHBondContact O-CB 3.27Å; G108-Y112 PolarHBondContact O-N 3.29Å
109L86.6Confident83.3Confident23 Ų2357 Ų5712%0.1229%0.292CS..Hα-helixtrans-65.7-39.5171.1-78168.5000111.8L74 L79 I105 L113L74-L109 HydrophobicContact CD2-CD1 3.7Å; L79-L109 HydrophobicContact CD2-CD2 4.02Å; L79-L109 HydrophobicContact CD2-CG 4.45Å; I105-L109 HydrophobicContact CG2-CD1 3.81Å; I105-L109 WeakPolarHBondContact O-CB 3.29Å; I105-L109 WeakPolarHBondContact O-CD1 3.49Å; I105-L109 VanDerWaalsContact O-CG 3.24Å; I105-L109 WeakPolarHBondContact O-CG 3.41Å; I105-L109 PolarHBondContact O-N 3.09Å; L109-L113 WeakPolarHBondContact O-CB 3.42Å; L109-L113 VanDerWaalsContact O-CG 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.04Å; L109-L113 PolarHBondContact O-N 2.8Å; L109-L113 VanDerWaalsContact O-N 3.1Å
110L85.3Confident81.6Confident20 Ų2063.2 Ų63.211%0.10532%0.321CS..Hα-helixtrans-69.7-41.7177.317955.9000111.9I17 K20 I45 F106 D107 L113 T114I17-L110 HydrophobicContact CG2-CD2 3.89Å; K20-L110 HydrophobicContact CB-CD2 3.75Å; K20-L110 HydrophobicContact CD-CD2 3.46Å; K20-L110 VanDerWaalsContact CD-CD2 3.46Å; K20-L110 HydrophobicContact CD-CG 4.19Å; K20-L110 HydrophobicContact CG-CD2 4.27Å; I45-L110 HydrophobicContact CD1-CB 4.34Å; I45-L110 HydrophobicContact CG1-CD1 4.43Å; F106-L110 VanDerWaalsContact O-CB 3.27Å; F106-L110 WeakPolarHBondContact O-CB 3.43Å; F106-L110 PolarHBondContact O-N 2.85Å; D107-L110 PolarHBondContact O-N 2.97Å; L110-L113 PolarHBondContact O-N 3.3Å; L110-T114 HydrophobicContact CD1-CG2 4.29Å; L110-T114 WeakPolarHBondContact O-CG2 3.48Å; L110-T114 PolarHBondContact O-N 2.87Å; L110-T114 PolarHBondContact O-OG1 3.14Å; L110-T114 VanDerWaalsContact O-OG1 3.14Å
111E87.5Confident79.9Confident118 Ų11868.8 Ų68.855%0.55135%0.348SS*.Hα-helixtrans-56.5-55.8172.9-176.2168.7-128.900110.4D107 L113 T114 E115D107-E111 WeakPolarHBondContact O-CB 3.26Å; D107-E111 PolarHBondContact O-N 2.99Å; E111-L113 VanDerWaalsContact C-N 3.32Å; E111-L113 PolarHBondContact O-N 2.87Å; E111-T114 WeakPolarHBondContact CA-OG1 3.44Å; E111-T114 CarbonylContact O-C 3.57Å; E111-T114 PolarHBondContact O-N 2.9Å; E111-T114 PolarHBondContact O-OG1 3.38Å; E111-E115 PolarHBondContact O-N 3.34Å
112Y85.4Confident78Confident130 Ų13071.2 Ų71.251%0.5137%0.368SS..Hα-helixtrans-53.6-44.2177.7176.2-99.4000113.1G108 E115 Q116G108-Y112 WeakPolarHBondContact O-CB 3.27Å; G108-Y112 PolarHBondContact O-N 3.29Å; Y112-E115 PolarHBondContact O-N 3.38Å; Y112-Q116 HydrophobicContact CD1-CG 4.31Å; Y112-Q116 HydrophobicContact CE1-CG 3.85Å; Y112-Q116 HydrophobicContact CE2-CG 4.1Å; Y112-Q116 WeakPolarHBondContact O-CG 3.35Å; Y112-Q116 PolarHBondContact O-N 2.96Å
113L80.4Confident75.9Confident58 Ų5878.7 Ų78.730%0.30440%0.403SS..Hα-helixtrans-68.4-36.9177.9-71.5169.2000112.2I45 L46 L109 L110 E111 I117I45-L113 HydrophobicContact CG2-CD1 3.72Å; I45-L113 WeakPolarHBondContact O-CD1 3.48Å; L46-L113 HydrophobicContact CD2-CD1 4.28Å; L109-L113 WeakPolarHBondContact O-CB 3.42Å; L109-L113 VanDerWaalsContact O-CG 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.04Å; L109-L113 PolarHBondContact O-N 2.8Å; L109-L113 VanDerWaalsContact O-N 3.1Å; L110-L113 PolarHBondContact O-N 3.3Å; E111-L113 VanDerWaalsContact C-N 3.32Å; E111-L113 PolarHBondContact O-N 2.87Å; L113-I117 WeakPolarHBondContact O-CD1 3.25Å; L113-I117 VanDerWaalsContact O-CG1 3.26Å; L113-I117 WeakPolarHBondContact O-CG1 3.43Å; L113-I117 PolarHBondContact O-N 3.2Å
114T79.3Confident73.5Confident71 Ų7185.1 Ų85.144%0.43644%0.437SS..Hα-helixtrans-69.6-32.5173.655.30000113.3L110 E111 S118L110-T114 HydrophobicContact CD1-CG2 4.29Å; L110-T114 WeakPolarHBondContact O-CG2 3.48Å; L110-T114 PolarHBondContact O-N 2.87Å; L110-T114 PolarHBondContact O-OG1 3.14Å; L110-T114 VanDerWaalsContact O-OG1 3.14Å; E111-T114 WeakPolarHBondContact CA-OG1 3.44Å; E111-T114 CarbonylContact O-C 3.57Å; E111-T114 PolarHBondContact O-N 2.9Å; E111-T114 PolarHBondContact O-OG1 3.38Å; T114-S118 WeakPolarHBondContact O-CB 3.37Å; T114-S118 PolarHBondContact O-N 2.82Å; T114-S118 VanDerWaalsContact O-N 3.13Å; T114-S118 PolarHBondContact O-OG 2.91Å
115E79.8Confident71.2Confident114 Ų11482.1 Ų82.153%0.53344%0.438SS..Hα-helixtrans-66.9-49.2171.3-70.8-166.5137.200111.1E111 Y112 I117 S118 E119E111-E115 PolarHBondContact O-N 3.34Å; Y112-E115 PolarHBondContact O-N 3.38Å; E115-I117 VanDerWaalsContact C-N 3.35Å; E115-I117 PolarHBondContact O-N 3.01Å; E115-S118 CarbonylContact O-C 3.52Å; E115-S118 WeakPolarHBondContact O-CA 3.39Å; E115-S118 WeakPolarHBondContact O-CB 3.47Å; E115-S118 PolarHBondContact O-N 2.82Å; E115-E119 PolarHBondContact O-N 2.86Å
116Q70.8Confident68.8Low67 Ų6788.3 Ų88.331%0.31347%0.471SS..Hα-helixtrans-56.8-45.1177.7-73.1-64.3-78.300112.4Y112 S118 E119 E120Y112-Q116 HydrophobicContact CD1-CG 4.31Å; Y112-Q116 HydrophobicContact CE1-CG 3.85Å; Y112-Q116 HydrophobicContact CE2-CG 4.1Å; Y112-Q116 WeakPolarHBondContact O-CG 3.35Å; Y112-Q116 PolarHBondContact O-N 2.96Å; Q116-S118 VanDerWaalsContact C-N 3.3Å; Q116-S118 PolarHBondContact O-N 2.84Å; Q116-E119 PolarHBondContact NE2-OE2 3.2Å; Q116-E119 PolarHBondContact O-N 3.43Å; Q116-E120 WeakPolarHBondContact O-CG 3.27Å; Q116-E120 PolarHBondContact O-N 2.97Å
117I66.7Low66.2Low103 Ų10397.7 Ų97.753%0.52851%0.512SS..Hα-helixtrans-62.4-39.3176.2-67.4164.5000111L113 E115 E120 E121L113-I117 WeakPolarHBondContact O-CD1 3.25Å; L113-I117 VanDerWaalsContact O-CG1 3.26Å; L113-I117 WeakPolarHBondContact O-CG1 3.43Å; L113-I117 PolarHBondContact O-N 3.2Å; E115-I117 VanDerWaalsContact C-N 3.35Å; E115-I117 PolarHBondContact O-N 3.01Å; I117-E120 PolarHBondContact O-N 3.09Å; I117-E121 PolarHBondContact O-N 2.89Å
118S66.4Low63.5Low74 Ų74103.5 Ų103.552%0.51754%0.538SS..Hα-helixtrans-69-37178-56.90000112.7T114 E115 Q116 S122T114-S118 WeakPolarHBondContact O-CB 3.37Å; T114-S118 PolarHBondContact O-N 2.82Å; T114-S118 VanDerWaalsContact O-N 3.13Å; T114-S118 PolarHBondContact O-OG 2.91Å; E115-S118 CarbonylContact O-C 3.52Å; E115-S118 WeakPolarHBondContact O-CA 3.39Å; E115-S118 WeakPolarHBondContact O-CB 3.47Å; E115-S118 PolarHBondContact O-N 2.82Å; Q116-S118 VanDerWaalsContact C-N 3.3Å; Q116-S118 PolarHBondContact O-N 2.84Å; S118-S122 WeakPolarHBondContact O-CB 3.06Å; S118-S122 PolarHBondContact O-N 3.14Å
119E62.2Low61.1Low112 Ų112107.1 Ų107.152%0.52356%0.555SS.*Hα-helixtrans-68.8-38.8173.5-70.3-165149.100111.8E115 Q116 S122 Q123E115-E119 PolarHBondContact O-N 2.86Å; Q116-E119 PolarHBondContact NE2-OE2 3.2Å; Q116-E119 PolarHBondContact O-N 3.43Å; E119-S122 PolarHBondContact O-N 3.14Å; E119-Q123 WeakPolarHBondContact O-CG 3.43Å; E119-Q123 PolarHBondContact O-N 3.34Å
120E54.6Low58.4Low132 Ų132111.2 Ų111.262%0.61759%0.585SS**Hα-helixtrans-67.2-40.9174.7-74.4-166.1171.200112.4Q116 I117 S122 Q123 N124Q116-E120 WeakPolarHBondContact O-CG 3.27Å; Q116-E120 PolarHBondContact O-N 2.97Å; I117-E120 PolarHBondContact O-N 3.09Å; E120-S122 VanDerWaalsContact C-N 3.34Å; E120-Q123 PolarHBondContact O-N 3.36Å; E120-N124 PolarHBondContact O-N 2.84Å; E120-N124 PolarHBondContact O-ND2 3.44Å
121E52.7Low55.5Low149 Ų149115.8 Ų115.870%0.69662%0.618SS**Hα-helixtrans-62.9-41.2171.3-74.5-161.5140.900111.4I117 Q123 N124I117-E121 PolarHBondContact O-N 2.89Å; E121-Q123 PolarHBondContact O-N 2.69Å; E121-N124 PolarHBondContact O-N 2.77Å
122S51.8Low52.8Low93 Ų93116.9 Ų116.965%0.6563%0.633SS**Hα-helixtrans-62.2-40.3176.4-172.10000112.9S118 E119 E120 N124 G125S118-S122 WeakPolarHBondContact O-CB 3.06Å; S118-S122 PolarHBondContact O-N 3.14Å; E119-S122 PolarHBondContact O-N 3.14Å; E120-S122 VanDerWaalsContact C-N 3.34Å; S122-N124 VanDerWaalsContact C-N 3.26Å; S122-N124 PolarHBondContact O-N 2.71Å; S122-G125 PolarHBondContact O-N 3.05Å
123Q46.8Very low50.6Low158 Ų158116.4 Ų116.474%0.73865%0.645SS**Hα-helixtrans-73.1-16.2178.9-73.1-174.74000113.6E119 E120 E121E119-Q123 WeakPolarHBondContact O-CG 3.43Å; E119-Q123 PolarHBondContact O-N 3.34Å; E120-Q123 PolarHBondContact O-N 3.36Å; E121-Q123 PolarHBondContact O-N 2.69Å
124N40.5Very low48.3Very low137 Ų137120.7 Ų120.773%0.73367%0.673SS**THydrogen-bonded Turntrans-85.8-4.3174.1-78.7-72.3000113.9E120 E121 S122E120-N124 PolarHBondContact O-N 2.84Å; E120-N124 PolarHBondContact O-ND2 3.44Å; E121-N124 PolarHBondContact O-N 2.77Å; S122-N124 VanDerWaalsContact C-N 3.26Å; S122-N124 PolarHBondContact O-N 2.71Å
125G41.3Very low46Very low54 Ų54125.7 Ų125.756%0.55769%0.692SS**  trans-72.8-27.2-178.100000116.2S122 K127S122-G125 PolarHBondContact O-N 3.05Å; G125-K127 VanDerWaalsContact C-N 3.26Å; G125-K127 PolarHBondContact O-N 3.13Å
126D39.9Very low43.6Very low163 Ų163127.4 Ų127.487%0.87271%0.705SS**  trans-81.745.9-166.7-92.2-14000115.2
127K35.5Very low41.7Very low196 Ų196128.6 Ų128.685%0.85273%0.726SS**  trans-140.260.5169.6-74-168.7-179.31620114.6G125 P129G125-K127 VanDerWaalsContact C-N 3.26Å; G125-K127 PolarHBondContact O-N 3.13Å; K127-P129 VanDerWaalsContact O-CD 3.25Å; K127-P129 WeakPolarHBondContact O-CD 3.43Å
128E32.4Very low40.4Very low166 Ų166129.5 Ų129.578%0.77674%0.738SS**  trans-88110.3159.2-96.7-68.5161.500111.3
129P38.2Very low38.5Very low111 Ų111133.6 Ų133.672%0.72175%0.753SS**  trans-88.6103.5165.433.2-29.5000110.2K127 C131K127-P129 VanDerWaalsContact O-CD 3.25Å; K127-P129 WeakPolarHBondContact O-CD 3.43Å; P129-C131 PolarHBondContact O-N 3.32Å
130S28.1Very low37.4Very low109 Ų109134 Ų13476%0.76277%0.766SS**  trans-52.5130.6-170.661.50000115.1
131C26.1Very low36.1Very low117 Ų117134.3 Ų134.379%0.79178%0.777SS**  trans-65.8151.5174.6-50.50000113.3P129P129-C131 PolarHBondContact O-N 3.32Å
132V30.3Very low34.8Very low141 Ų141130.9 Ų130.986%0.85578%0.782SS**  trans-138150.6151.3-96.30000108.9
133P39.2Very low33.6Very low119 Ų119133.2 Ų133.277%0.77379%0.792SS**  trans-104.5164.3-143.238.7-37.1000115.9
134V32.6Very low32.6Very low148 Ų148132.5 Ų132.590%0.89780%0.799SS**  trans-135.9147.2160.2-178.70000108
135E31.1Very low32Very low177 Ų177132.1 Ų132.183%0.82780%0.801SS**  trans-88157.7-166.5-59.4178.8131.400115.3
136D28Very low32Very low150 Ų150134 Ų13480%0.80280%0.803SS**  trans57.1120.6141.6-80.214.7000124.5
137A31.5Very low31.3Very low91 Ų91134.6 Ų134.675%0.75280%0.801SS**  trans83.6164.6134.600000117.9
138P38.7Very low31Very low122 Ų122130.4 Ų130.479%0.79279%0.792SS**  -131.6177.3-10327.2-3.3000116.4
139L26.3Very low30.9Very low160 Ų160130.7 Ų130.784%0.83879%0.793SS**  trans-40.9154.7173.8-67.7160.5000115.4
140P39.4Very low30.6Very low122 Ų122133 Ų13379%0.79279%0.794SS**  -130.3153.8109.337.2-31.7000116.1
141T27.3Very low30.7Very low137 Ų137135.2 Ų135.284%0.8479%0.793SS**  trans-61.6153.7173.547.80000115.2
142G26.1Very low30.9Very low78 Ų78138.4 Ų138.480%0.80480%0.796SS**  trans-17798.6162.500000114.6
143T25.6Very low30.9Very low141 Ų141135.7 Ų135.787%0.86579%0.788SS**  trans-109.3112.1-179.2-53.10000112
144V25.8Very low30.5Very low144 Ų144137.5 Ų137.587%0.87379%0.79SS**  trans-147.4148.3160.9-156.70000110
145V28.8Very low30.2Very low129 Ų129137.3 Ų137.378%0.78278%0.782SS**  trans-101.2-165.1175-123.60000108.8
146P41.5Very low30.1Very low93 Ų93135 Ų13560%0.60477%0.771SS**  cis-142.3-164.86.846.5-26.6000116.7
147Q25.1Very low30.1Very low176 Ų176137.6 Ų137.682%0.82277%0.769SS**  trans73.1154.5151.2-70.4171.4-700120.2
148T29.3Very low29.8Very low108 Ų108136.8 Ų136.866%0.66376%0.763SS**  cis-161.8173.7-32.1-59.20000109.6
149E30.4Very low29.2Very low171 Ų171135.9 Ų135.980%0.79976%0.759SS**  trans107.2114.8154.2-59.8173.6-163.500115.3
150E31.2Very low29.3Very low159 Ų159136.8 Ų136.874%0.74376%0.759SS**  72.6140.166.2-64.8-154.4138.400113.7
151Q30.6Very low28.6Very low157 Ų157141.8 Ų141.873%0.73476%0.764SS**  cis-157.1174.8-5-116.217736.300111.9
152E29.7Very low28.6Very low184 Ų184140.4 Ų140.486%0.8676%0.76SS**  trans-60.8177.2166.3-69.1-177.3148.500115.1
153A30.7Very low28.5Very low84 Ų84142.2 Ų142.269%0.69476%0.76SS**  cis-156.5-138.9-18.200000108
154L31.3Very low28.5Very low156 Ų156140.8 Ų140.882%0.81775%0.751SS**  cis-165.7177.40.4-162.862000110.1
155M26.6Very low28.6Very low144 Ų144142 Ų14271%0.70975%0.746SS**  trans75.1120.5163.4-66.9-16681.700118.7
156E27.9Very low28.5Very low128 Ų128141.3 Ų141.360%0.59875%0.748SS**  71.5145.784-75.6-154.4141.900114.9
157R27.5Very low27.7Very low206 Ų206140.6 Ų140.678%0.77775%0.75SS**  cis-160.2174.716-126.6168154.7111.1-4.1107
158A25.6Very low27.8Very low74 Ų74138 Ų13861%0.61275%0.746SS**  cis-164.1176.7-0.500000109.9
159S27.2Very low27.7Very low102 Ų102141 Ų14171%0.71375%0.752SS**  trans69154.5159.7-65.10000118.4
160Q27.2Very low27.4Very low179 Ų179138 Ų13884%0.83675%0.75SS**  cis-153-177.5-10.6-116.6166.639.400111
161Y24.6Very low27.2Very low228 Ų228135.5 Ų135.589%0.89475%0.75SS**  trans-82.4147.7-168.2-90.3-107.8000116.5
162S27.7Very low27.2Very low108 Ų108132 Ų13276%0.75574%0.743SS**  trans55.5130.9138.7-161.90000121.4
163S23.3Very low27.3Very low116 Ų116131.3 Ų131.381%0.81174%0.737SS**  178.6174.4106.3-160.10000112.6
164V26.9Very low27.2Very low110 Ų110135.2 Ų135.267%0.66774%0.741SS**  trans-96.9165.2-163.7-155.30000113.1
165H27.4Very low27.1Very low169 Ų169132.4 Ų132.478%0.78273%0.734SS**  trans91.1103.4153.3-66.5-60.2000121.8
166S26.3Very low27.1Very low116 Ų116133 Ų13381%0.81174%0.739SS**  90.9149.3112.9-1510000121.9
167A25.5Very low27.1Very low78 Ų78134.4 Ų134.465%0.64575%0.746SS**  trans80106.3148.600000122.8
168V26.7Very low26.9Very low122 Ų122129.3 Ų129.374%0.73974%0.741SS**  83.8128.5118172.70000121.2
169Q27.2Very low27.2Very low169 Ų169135.2 Ų135.279%0.7975%0.748SS**  trans73.8118.8155.6-79.416131.800122.8
170S24.6Very low27.6Very low109 Ų109135.6 Ų135.676%0.76274%0.742SS**  38.9132.5116-44.20000119.3
171S26.7Very low27.8Very low106 Ų106130.8 Ų130.874%0.74173%0.733SS**  177.5164.454.450.50000113.2
172S30.2Very low28.4Very low85 Ų85127.5 Ų127.559%0.59473%0.726SS**  trans16.114514864.70000121.3
173K32.5Very low29Very low169 Ų169130.5 Ų130.574%0.73573%0.728SS**  -173.6148.568-81.2-178178.6172.30114
174H28.6Very low29.9Very low165 Ų165130.7 Ų130.776%0.76472%0.724SS**  trans34.6155.7132.6-45.2-39.2000122.8
175S28.3Very low30.1Very low97 Ų97129.1 Ų129.168%0.67873%0.73SS**  cis179.1174.4-17.7-173.60000110.6
176L27.2Very low30.8Very low156 Ų156126.1 Ų126.182%0.81773%0.728SS**  trans77.3161162.7-50.9-179.2000119.8
177H28.6Very low31.4Very low159 Ų159127.1 Ų127.174%0.73673%0.73SS**  cis-169.9-169.6-44-152.447000111.2W179H177-W179 AromaticContact NE2-NE1 3.77Å
178S23.4Very low32.1Very low98 Ų98129.1 Ų129.169%0.68573%0.729SS**  trans87.2132.5179.1-153.50000115.4
179W32Very low32.8Very low198 Ų198130.5 Ų130.575%0.7573%0.728SS**  cis77.9137.333.6-65.749.3000113.3H177H177-W179 AromaticContact NE2-NE1 3.77Å
180N34Very low33.4Very low111 Ų111128.7 Ų128.759%0.59472%0.723SS**  cis-158.1-170.83.9-136.445.2000113.4E182N180-E182 PolarHBondContact ND2-OE1 2.99Å
181A32.3Very low34Very low78 Ų78130.8 Ų130.865%0.64572%0.724SS**  trans80.7154150.800000121.2
182E38.1Very low34.4Very low159 Ų159133.2 Ų133.274%0.74373%0.728SS**  cis169.7153.1-27.4-93.4131.5-128.100104.5N180N180-E182 PolarHBondContact ND2-OE1 2.99Å
183E40.2Very low34.8Very low171 Ų171137 Ų13780%0.79974%0.741SS**  cis-154.4-163.1-2.3-150.5-160.6-149.700105.9
184T41.7Very low34.8Very low120 Ų120132.8 Ų132.874%0.73675%0.745SS**  cis-157.8163.42.7-34.30000109.4
185G31.2Very low35Very low76 Ų76132.8 Ų132.878%0.78475%0.751SS**  trans165.2128.8161.300000114.4
186S42.7Very low35.4Very low107 Ų107133.3 Ų133.375%0.74875%0.754SS**  trans-140.8139.7-165.8-178.50000115.8
187T38.7Very low35.5Very low137 Ų137130.6 Ų130.684%0.8476%0.755SS**  trans-159.9119.8137.714.20000112
188N40.1Very low35.6Very low119 Ų119133.6 Ų133.664%0.63676%0.759SS**  trans15.9139.6138.8-62.141000119.4
189E41.4Very low36.1Very low151 Ų151134.7 Ų134.771%0.70676%0.762SS**  cis-169.6169.95.8-107.3174.7-86.800107.2
190L39.4Very low35.9Very low132 Ų132134.7 Ų134.769%0.69177%0.768SS**  cis-156.9178.23.6-134.9-173.2000109.5
191I36.4Very low36.1Very low153 Ų153134.9 Ų134.979%0.78577%0.773SS**  trans64.4110.8162.6-58.7164.3000117.2
192L34.7Very low35.8Very low157 Ų157136 Ų13682%0.82278%0.782SS**  trans-149.6171.7174.6-107.5176000110.2
193L40Very low35.8Very low165 Ų165138.2 Ų138.286%0.86479%0.79SS**  trans72.9149.3160.9-102.368.2000119.7
194G32.1Very low35.3Very low80 Ų80138.6 Ų138.683%0.82579%0.791SS**  trans17234175.700000116.2
195D33.2Very low34.7Very low164 Ų164140.3 Ų140.388%0.87779%0.791SS**  trans-97.1147.8-171.4-114.2-34.7000115
196S36Very low34.6Very low109 Ų109143.4 Ų143.476%0.76279%0.794SS**  trans68.4110.9151.5-163.20000122.6
197A29.4Very low33.9Very low99 Ų99147 Ų14782%0.81880%0.799SS**  trans-163.3114.3138.600000109.4
198R30.8Very low33.6Very low221 Ų221144.7 Ų144.783%0.83479%0.794SS**  70.487.776.6-82.1-163.1172.3-134.11.1117.9
199T33.7Very low33.2Very low122 Ų122143.7 Ų143.775%0.74880%0.796SS**  67.1131.8126.155.90000123.6
200F28.5Very low32.9Very low197 Ų197141.6 Ų141.686%0.86480%0.798SS**  trans108.9159.9137.2-124.9-100.3000119.8
201T36.5Very low32.4Very low115 Ų115144.5 Ų144.571%0.70681%0.808SS**  trans-105.9152.6-150.258.60000115.2
202A27.1Very low32.2Very low102 Ų102141.4 Ų141.484%0.84381%0.806SS**  trans-136.9156.3156.300000111.1
203K37Very low32.8Very low205 Ų205140.2 Ų140.289%0.89181%0.808SS**  trans-101.2160.7178.1-52.7172.7179.1179.60110.2
204Q29.8Very low32.2Very low179 Ų179135.5 Ų135.584%0.83680%0.799SS**  -174.8159.1107-165.814617.600111.3
205E28.8Very low33.2Very low156 Ų156137.3 Ų137.373%0.72980%0.796SS**  trans-81.3169.9179.6-48.898143.200114.4
206V29.6Very low33.2Very low141 Ų141134.4 Ų134.486%0.85579%0.789SS**  -176.8149.8115.1146.10000111.7
207E29.4Very low33.1Very low183 Ų183135 Ų13586%0.85579%0.788SS**  trans-86.8-164.4178-55.6-174.378.200112.1
208A31.1Very low33.2Very low89 Ų89136.1 Ų136.174%0.73679%0.785SS**  cis-166.7-175.810.900000107.7
209S32.3Very low33Very low97 Ų97131.3 Ų131.368%0.67878%0.784SS**  cis-171.3149.7-13.9167.10000108.4
210S34.3Very low32.9Very low107 Ų107129.5 Ų129.575%0.74878%0.781SS**  trans66.7165.8163.6-53.60000116.5
211Q30.4Very low33.9Very low193 Ų193126.5 Ų126.590%0.90278%0.781SS**  cis-155.5169.115.9-153.1167.419.600111.1
212A31.9Very low33.6Very low89 Ų89123.6 Ų123.674%0.73677%0.774SS**  trans-111159.5173.400000111.7
213P47.4Very low33.9Very low131 Ų131125.5 Ų125.585%0.85178%0.776SS**  -148.7-179.388.139.5-21.3000116
214G26.7Very low34.2Very low67 Ų67121.6 Ų121.669%0.69177%0.771SS**  trans-89.8-152170.200000113.6
215P53.7Low34.2Very low117 Ų117116.3 Ų116.376%0.7677%0.765SS**  cis-144.7-177.925.745-26.9000117.7
216S33.2Very low34.5Very low104 Ų104115.7 Ų115.773%0.72777%0.772SS**  trans68.1151151.5-620000118.9
217T33.2Very low34.7Very low120 Ų120117.9 Ų117.974%0.73677%0.773SS**  cis-174.3151.6-727.50000104.8
218T31.4Very low34.7Very low124 Ų124112.8 Ų112.876%0.76176%0.762SS**  cis-165.8170.26.91.50000106.9
219C27.5Very low34.9Very low120 Ų120114.2 Ų114.281%0.81176%0.762SS**  cis-153.8-160.9-2.1-152.80000109.3
220A31.9Very low35.1Very low83 Ų83117 Ų11769%0.68677%0.768SS**  trans-137.9-162.9163.200000108.5
221P48.2Very low35Very low134 Ų134120.2 Ų120.287%0.8778%0.776SS**  cis-128.6-179.939.638.8-21.4000113.8
222G29.7Very low35.2Very low54 Ų54122.5 Ų122.556%0.55778%0.776SS**  cis165.8121.9-6.600000108.5
223T34.3Very low35.5Very low142 Ų142127 Ų12787%0.87178%0.782SS**  67152.776.458.50000114.9
224P44.3Very low35.2Very low124 Ų124125.8 Ų125.881%0.80578%0.775SS**  cis-120.31792.241.9-28.6000114.1
225G27.8Very low35.5Very low68 Ų68131.2 Ų131.270%0.70179%0.787SS**  cis121.989.3-12.700000116.6
226T35.6Very low34.7Very low142 Ų142137.2 Ų137.287%0.87179%0.794SS**  trans-149134.2160.3-200000112.1
227Q34.5Very low35Very low187 Ų187137.8 Ų137.887%0.87480%0.798SS**  trans-116.4175.9162.3-59.4-178.3-2.200106.6
228A30Very low35.3Very low77 Ų77136.9 Ų136.964%0.63680%0.803SS**  cis-168.3166.825.800000113.3
229T34Very low36.1Very low118 Ų118138 Ų13872%0.72480%0.803SS**  trans63.6109.2135.4-55.50000122.2
230L37.1Very low36.6Very low156 Ų156138.1 Ų138.182%0.81780%0.802SS**  trans54.6127.4142.5-59.3172.4000121.9
231L31.4Very low37Very low175 Ų175142.4 Ų142.492%0.91681%0.813SS**  -166.5156.3104.8-102.2169.6000111.6
232R34.3Very low36.7Very low240 Ų240143 Ų14391%0.90680%0.804SS**  trans-132.3109.9179.6177-163.7-177-1662.8109.8
233E38.5Very low37.4Very low183 Ų183145.2 Ų145.286%0.85581%0.808SS**  trans-149.2169.5171.3-101.9-149.3177.700111.4
234P41.7Very low37.9Very low107 Ų107144.5 Ų144.570%0.69581%0.806SS**PPolyproline II helixtrans-84.6159.5-141.8-14.931.2000117.1R236P234-R236 PolarHBondContact O-N 3.34Å
235L33.8Very low37.4Very low180 Ų180147.7 Ų147.794%0.94280%0.803SS**PPolyproline II helixtrans-58.4120.2167.6-66.5172.3000110.6
236R36.9Very low37.7Very low244 Ų244153.1 Ų153.192%0.92181%0.81SS**PPolyproline II helixtrans-74.2149.4171-70.4-173173.7-164.2-2.2110.8P234P234-R236 PolarHBondContact O-N 3.34Å
237S38Very low37.4Very low116 Ų116153 Ų15381%0.81181%0.81SS**PPolyproline II helixtrans-59.4141.7171.940.60000111.7
238A39.2Very low37.3Very low101 Ų101149.8 Ų149.884%0.83580%0.803SS**PPolyproline II helixtrans-69.6141.3178.800000111.6
239I49.5Very low37.7Very low147 Ų147152.2 Ų152.275%0.75481%0.812SS**PPolyproline II helixtrans-87.4138.4174.1-61.3171.5000108.2L241I239-L241 PolarHBondContact O-N 2.92Å
240P37.1Very low37.5Very low123 Ų123155.2 Ų155.280%0.79982%0.818SS**PPolyproline II helixtrans-59.5128.7174.6-23.133.9000111.7
241L40Very low37Very low173 Ų173157.7 Ų157.791%0.90682%0.816SS**PPolyproline II helixtrans-77.3126.1175.1-68.4175.2000110.3I239I239-L241 PolarHBondContact O-N 2.92Å
242Q42.1Very low37.4Very low146 Ų146155.1 Ų155.168%0.68281%0.81SS**PPolyproline II helixtrans-78.3136.8175-166.7174.613.300109.9Y245Q242-Y245 PolarHBondContact NE2-OH 2.93Å
243P44.3Very low37.1Very low101 Ų101150.9 Ų150.966%0.65681%0.805SS**PPolyproline II helixtrans-68.2149.1-179.427.6-35000112Y245P243-Y245 PolarHBondContact O-N 3.24Å
244P44.8Very low36.8Very low126 Ų126153.4 Ų153.482%0.81881%0.807SS**PPolyproline II helixtrans-71.4128.4-177.428.7-34.4000112
245Y34.6Very low36.2Very low191 Ų191152.4 Ų152.475%0.74981%0.807SS**PPolyproline II helixtrans-69.9133.7177.9-74.8-87.2000112.4Q242 P243Q242-Y245 PolarHBondContact NE2-OH 2.93Å; P243-Y245 PolarHBondContact O-N 3.24Å
246Q34.1Very low36.9Very low182 Ų182148.6 Ų148.685%0.8579%0.793SS**PPolyproline II helixtrans-72.2136.4171.4-62.4175.40.300110.8T248Q246-T248 PolarHBondContact O-N 3.25Å
247T30Very low36.5Very low141 Ų141145.5 Ų145.587%0.86579%0.789SS**  trans-91.794.3-177.839.10000112.7
248T31.6Very low36.2Very low118 Ų118145.3 Ų145.372%0.72479%0.788SS**  trans-83.1123.6167.550.80000111.2Q246 H250Q246-T248 PolarHBondContact O-N 3.25Å; T248-H250 PolarHBondContact O-N 2.88Å
249P38.6Very low35.7Very low128 Ų128144 Ų14483%0.83179%0.785SS**  trans-83.1111.3-179.331.6-32.6000111.5
250H29.9Very low34.8Very low182 Ų182142.6 Ų142.684%0.84379%0.788SS**  trans-107.6132.4170.2-113.9-85.1000113.1T248T248-H250 PolarHBondContact O-N 2.88Å
251R27.3Very low34.5Very low208 Ų208145.8 Ų145.879%0.78579%0.792SS**  trans-62.4133.5178.1168.7-177.3176.4166.5-2.8111.4
252P39.5Very low33.9Very low121 Ų121142.9 Ų142.979%0.78679%0.786SS**  trans-76136.5169.731.6-32.9000110.4
253D27.5Very low34.2Very low150 Ų150141.3 Ų141.380%0.80279%0.788SS**  trans-107.1153.2164.4-124-43.2000110.3
254R32.5Very low34.4Very low237 Ų237141.8 Ų141.889%0.89479%0.792SS**  trans-110.4122.7-162.5-174.9173178.11660.4112.6
255A29.5Very low33.5Very low85 Ų85139.6 Ų139.670%0.70278%0.784SS**  trans-62151.5171.900000112.1
256P47Very low33.2Very low100 Ų100138.5 Ų138.565%0.64979%0.791SS**  trans-87.4168.3-159.636.4-38.7000114
257H29.7Very low32.9Very low180 Ų180133 Ų13383%0.83378%0.783SS**  -173162111-90.5-60.6000111.9
258S31.9Very low32.8Very low112 Ų112134.7 Ų134.778%0.78379%0.786SS**  trans-47.3160.8-164.6-47.40000119.7
259G27.5Very low32.6Very low74 Ų74134.8 Ų134.876%0.76379%0.791SS**  trans-64.6-177.5151.400000112.1
260S31.5Very low32.2Very low117 Ų117134.4 Ų134.482%0.81879%0.791SS**  cis-162.9-171.938.5-171.10000111.5
261Q30.5Very low32.1Very low190 Ų190129 Ų12989%0.88879%0.786SS**  trans82.6118.3168.1-51-171.717.200118.4
262S27.4Very low32.2Very low112 Ų112123.7 Ų123.778%0.78379%0.786SS**  trans-113.7177.5152.861.40000107.6
263P47.6Very low31.7Very low112 Ų112122.7 Ų122.773%0.72779%0.788SS**  cis-128.7-136.9-4.543.6-24.2000108.9
264P48.4Very low31.7Very low112 Ų112122.2 Ų122.273%0.72779%0.79SS**  cis-131.4175.6-31.339.8-23.8000115.6
265A26.9Very low31.7Very low79 Ų79114.8 Ų114.865%0.65378%0.779SS**  trans77134.2139.500000125
266N28.8Very low31.7Very low168 Ų168119.2 Ų119.290%0.89879%0.785SS**  trans77.4146.3142.7-63.6-7.7000123
267G27.4Very low30.7Very low66 Ų66123.3 Ų123.368%0.6880%0.796SS**  trans109.8125.1-175.600000111.3
268L27.6Very low30.9Very low178 Ų178119.1 Ų119.193%0.93279%0.792SS**  cis55.812627.3-54.1173.9000111.9
269S28Very low31.8Very low120 Ų120119.1 Ų119.184%0.83979%0.79SS**  cis-148.3174.327.4-167.80000115.1
270S29.6Very low32Very low119 Ų119122.4 Ų122.483%0.83280%0.795SS**  trans-62.4155.8177.3-177.90000117.1
271G27.7Very low31.9Very low70 Ų70119.9 Ų119.972%0.72279%0.788SS**  trans129157.8142.700000116.5
272A29.1Very low31.8Very low95 Ų95118 Ų11879%0.78579%0.79SS**  cis-174.5134.4-24.800000110.2
273A29.3Very low32.1Very low101 Ų101117.5 Ų117.584%0.83579%0.786SS**  trans60.7172.9161.500000116.6
274V28.4Very low31.2Very low140 Ų140120.6 Ų120.685%0.84879%0.79SS**  cis-132166.810.2176.90000110.7
275A31.1Very low30.3Very low80 Ų80120.7 Ų120.766%0.66179%0.794SS**  trans-72.1-165.4174.200000112.9
276Q31Very low31.4Very low178 Ų178122.6 Ų122.683%0.83280%0.8SS**  cis-165.2-172.516.9-153.9160.3-500112
277E25.8Very low31.6Very low186 Ų186125.5 Ų125.587%0.86980%0.798SS**  trans98141.3155.4-52.9-142.4122.100120.8
278A33.7Very low32.6Very low92 Ų92127.6 Ų127.676%0.7680%0.8SS**  trans-157.8158.6172.600000108.5
279P49.5Very low32.7Very low113 Ų113125.8 Ų125.873%0.73480%0.796SS**  trans-128.1139140.65.517.1000110.9
280T32.4Very low32.8Very low143 Ų143123.7 Ų123.788%0.87779%0.786SS**  56.8141.370.770.50000114.7
281G29.8Very low32.7Very low64 Ų64125 Ų12566%0.6678%0.783SS**  cis173.8-156.92.100000111.1
282T28.1Very low32.9Very low151 Ų151127.3 Ų127.393%0.92678%0.784SS**  trans89.4133.5170.9-43.80000116.1
283S33.2Very low33.1Very low100 Ų100128.7 Ų128.770%0.69978%0.782SS**  cis-167.8179.4-16.7-170.60000112.8
284E28.6Very low33.1Very low177 Ų177129.3 Ų129.383%0.82778%0.775SS**  trans91.5173.3158.9-47.3-150.4154.500121.1
285S31.4Very low33.1Very low115 Ų115129.8 Ų129.880%0.80477%0.773SS**  trans-169.8-176.5-142.6-96.90000112.6
286P50.1Low33Very low119 Ų119129 Ų12977%0.77377%0.772SS**  cis-141.9-82.322.937-12.1000120.4
287R31Very low32.9Very low228 Ų228127 Ų12786%0.8677%0.773SS**  trans-166.3177.9-151.2-81.1-167.1176.6-174.6-1.6110.5
288P50.3Low32.9Very low111 Ų111129.8 Ų129.872%0.72178%0.775SS**  cis-140.4-164.913.131.1-4.8000117.2
289V28.1Very low32.7Very low139 Ų139130.6 Ų130.684%0.84278%0.775SS**  trans83.6130.1161.6-169.60000117.3
290A30.4Very low32.7Very low76 Ų76131 Ų13163%0.62878%0.778SS**  cis-163.1159.3-23.700000111.5
291D28.3Very low32.3Very low147 Ų147129.2 Ų129.279%0.78678%0.777SS**  trans40120.4152.9-54.6-30.5000122.1
292T32.5Very low32.1Very low119 Ų119133.7 Ų133.773%0.7378%0.781SS**  cis108.8150.116.6-570000114
293V32.2Very low32.1Very low124 Ų124131.6 Ų131.675%0.75276%0.764SS**  trans65139.2172.3-87.80000118.4
294T29.8Very low31.8Very low113 Ų113135.3 Ų135.369%0.69377%0.77SS**  cis-149.3148.435.534.50000115.2
295N28.4Very low31.8Very low151 Ų151132 Ų13281%0.80777%0.767SS**  trans37.1149.7134.3-47.8-22.1000122.8
296G27.7Very low32.4Very low62 Ų62131.7 Ų131.764%0.63976%0.761SS**  cis145.7121.6-8.100000116.1
297V29Very low31.4Very low138 Ų138131.7 Ų131.784%0.83676%0.759SS**  trans63.3115.4149.2-159.60000120.1
298R27.6Very low31.3Very low243 Ų243129.1 Ų129.192%0.91776%0.757SS**  -179144.7114-99.3-175.4-177.9-156.5-1.6115.6
299S27.8Very low30.2Very low110 Ų110128.9 Ų128.977%0.76976%0.758SS**  trans-100.4-166.6168-23.30000109.7
300P50.5Low30.3Very low122 Ų122128.7 Ų128.779%0.79275%0.748SS**  cis-132179.7-20.937.9-21000113.8
301A24.1Very low30.2Very low104 Ų104132.4 Ų132.486%0.8675%0.75SS**  trans-139.1159.9155.400000109.6
302H25Very low30.3Very low159 Ų159130.7 Ų130.774%0.73675%0.749SS**  trans-142.4131.9-150.4-164.744.2000114.3
303N29.1Very low30Very low107 Ų107131.7 Ų131.757%0.57276%0.755SS**  trans67.3155.4169-52-29.3000116
304H26.6Very low29.7Very low178 Ų178130.1 Ų130.182%0.82475%0.75SS**  cis-136.8145.620.3-80.1-95.6000115.1
305S27.6Very low29.5Very low108 Ų108130.6 Ų130.676%0.75576%0.758SS**  trans-95.5172.3149.6-118.50000108.3
306P44.8Very low29.5Very low107 Ų107131.9 Ų131.970%0.69576%0.758SS**  cis-155.3-179.243.143.6-21.8000119.3
307V27.8Very low29.5Very low119 Ų119135.5 Ų135.572%0.72177%0.768SS**  trans64.6136.4139.5151.90000119.8
308E30.2Very low29.6Very low175 Ų175138.6 Ų138.682%0.81877%0.771SS**  cis-173.8162.4-18.9-134165.6-132.800109.4
309S27Very low29.6Very low106 Ų106133.2 Ų133.274%0.74176%0.764SS**  trans158.1106133.3-167.30000115.1
310E29.2Very low29.5Very low134 Ų134137.8 Ų137.863%0.62677%0.765SS**  trans45.5110.5133.1-57.9-88.28600123.2
311K30Very low28.8Very low154 Ų154137.4 Ų137.467%0.6776%0.756SS**  64.3108.5124.4-64.6169.2-175.81450122.8
312S28.4Very low29.2Very low112 Ų112137.5 Ų137.578%0.78374%0.738SS**  56.7127.9117.5-50.70000122.7
313V26.2Very low29.4Very low140 Ų140134 Ų13485%0.84872%0.722SS**  -175.4148.199.8148.30000112.5
314S26Very low29.3Very low91 Ų91133 Ų13364%0.63673%0.729SS**  trans-21.2144.6169.1-169.60000120.7
315S26.2Very low29.5Very low123 Ų123129.4 Ų129.486%0.8671%0.711SS**  -151.6134.8128.9-78.70000111.6
316Q29.4Very low29.6Very low177 Ų177130.5 Ų130.583%0.82770%0.704SS**  trans-92.2144.8173.4-62.2171.7-26.500111.1
317T26.3Very low29Very low138 Ų138132.3 Ų132.385%0.84770%0.703SS**  trans-159.9139.6137.5-90000113.7
318K31.3Very low29.8Very low204 Ų204131.9 Ų131.989%0.88770%0.703SS**  trans-107.6122.9159.3-81.1-179.3173.5179.80108.6
319V27.2Very low29.9Very low129 Ų129131.9 Ų131.978%0.78270%0.703SS**  trans-148.8107.1157.9177.80000104.2
320R26.6Very low30.8Very low206 Ų206132.6 Ų132.678%0.77771%0.705SS**  6310368.8-169.6165.4-173.9168.71.5114E322R320-E322 IonicContact CZ-OE1 2.81Å; R320-E322 IonicContact NE-OE1 3.45Å; R320-E322 PolarHBondContact NE-OE1 3.42Å; R320-E322 IonicContact NH2-OE1 3.63Å; R320-E322 PolarHBondContact NH2-OE1 3.07Å
321L36.7Very low30.9Very low115 Ų115132.8 Ų132.860%0.60272%0.715SS**  trans-60.9138.8159.8174.575.4000111.1Y734L321-Y734 HydrophobicContact CD2-CE2 3.82Å
322E30.7Very low31.1Very low105 Ų105130.8 Ų130.849%0.49172%0.721SS.*  trans-151.4130.1143.6-64.7-47162.700105.9R320R320-E322 IonicContact CZ-OE1 2.81Å; R320-E322 IonicContact NE-OE1 3.45Å; R320-E322 PolarHBondContact NE-OE1 3.42Å; R320-E322 IonicContact NH2-OE1 3.63Å; R320-E322 PolarHBondContact NH2-OE1 3.07Å
323E30.7Very low31.2Very low87 Ų87132.5 Ų132.541%0.40773%0.726SS.*  57.712188.8-71.4-142.9132.300116.5Y734 H735 L738E323-Y734 HydrophobicContact CG-CE1 3.71Å; E323-Y734 WeakPolarHBondContact OE1-CE1 3.42Å; E323-H735 IonicContact OE1-CE1 3Å; E323-H735 PolarHBondContact OE1-CE1 3.15Å; E323-H735 VanDerWaalsContact OE1-CE1 3.3Å; E323-H735 IonicContact OE1-ND1 2.66Å; E323-H735 IonicContact OE1-NE2 2.72Å; E323-H735 PolarHBondContact OE1-NE2 2.93Å; E323-H735 IonicContact OE2-NE2 2.71Å; E323-L738 WeakPolarHBondContact OE1-CD2 3.47Å
324A27.1Very low31.5Very low86 Ų86128.7 Ų128.771%0.71172%0.715SS**  trans-160.1115160.500000110.2H731A324-H731 PolarHBondContact O-NE2 2.86Å; A324-H731 VanDerWaalsContact O-NE2 3.13Å
325K30.2Very low32.7Very low101 Ų101130 Ų13044%0.43972%0.721SS.*  trans-136137.5-172.5-172.4-153.8-173.5-128.60110.5
326E29.6Very low33.2Very low131 Ų131135.1 Ų135.161%0.61272%0.722SS**  trans61.8163.9169.7-78160.9-148.800115.9
327Q32.3Very low33.7Very low146 Ų146137.7 Ų137.768%0.68272%0.724SS**  cis-133-1486-88.7-56.4-28.900108.2
328P44.8Very low34Very low110 Ų110137.6 Ų137.671%0.71472%0.723SS**  -122.3-173.7-64.332.6-15000114.6
329E32Very low34.3Very low175 Ų175134.9 Ų134.982%0.81872%0.717SS**  trans-73.5160.3163.1-77.1-84131.600113.9
330P45.6Very low34.6Very low120 Ų120138.7 Ų138.778%0.77972%0.724SS**  trans-142.1167.413839.3-25.6000115.9
331T31.1Very low35Very low138 Ų138138.4 Ų138.485%0.84772%0.723SS**  trans-91.7149.6-162.1420000118.4
332S34.9Very low35.1Very low113 Ų113139.7 Ų139.779%0.7974%0.736SS**  trans46.7107.6140.9177.60000122.2
333V30.8Very low35.4Very low148 Ų148141.2 Ų141.290%0.89774%0.743SS**  -148.3132.1130-179.40000109.8
334G33Very low36.2Very low59 Ų59143 Ų14361%0.60876%0.761SS**  trans-97.1-179.6171.500000113.3
335P51.2Low36.5Very low119 Ų119146.3 Ų146.377%0.77377%0.767SS**  cis-153.3-170.844.337.1-12.7000118
336R35.9Very low36.8Very low230 Ų230148 Ų14887%0.86878%0.78SS**  trans94.586157.5-62.9-177.1177.8-161.2-1.1121.3
337R38.9Very low36.9Very low232 Ų232150.3 Ų150.388%0.87579%0.79SS**  37.6118.2122.8-57.1174.276.5-159.37.4120.2
338V34.3Very low36.8Very low136 Ų136151.7 Ų151.782%0.82479%0.794SS**  -142.6146.1116.6-178.80000107.9F340V338-F340 HydrophobicContact CG1-CE2 4.44Å
339L37.6Very low36.2Very low147 Ų147154.1 Ų154.177%0.7780%0.8SS**  trans-99.9139.2176.6-80.9160.2000111.4
340F33Very low36Very low208 Ų208151.7 Ų151.791%0.91280%0.798SS**  trans-136.9146145.2-82.1-74.1000109.4V338V338-F340 HydrophobicContact CG1-CE2 4.44Å
341R33.6Very low35.5Very low201 Ų201154.2 Ų154.276%0.75880%0.804SS**  trans-132.7123.2-169.7-175.3-169.6-165.4-133.610.2108.5
342T40.8Very low35.3Very low142 Ų142155 Ų15587%0.87180%0.798SS**  trans-131.4124.4169.541.60000108.6
343Q37Very low35.1Very low137 Ų137159 Ų15964%0.6480%0.804SS**PPolyproline II helixtrans-84.8149.2173.4-66.6165.7-106.400109
344P46.6Very low35.2Very low123 Ų123158.7 Ų158.780%0.79979%0.793SS**PPolyproline II helixtrans-81129.516032.4-29.2000109.3
345D33.6Very low35.1Very low156 Ų156164.3 Ų164.383%0.83481%0.808SS**PPolyproline II helixtrans-79.6155175.7-77.5-49.4000112.4
346I35.9Very low34.1Very low136 Ų136167.4 Ų167.470%0.69781%0.812SS**PPolyproline II helixtrans-93128.6-172.6-60.8162.3000110.1F348I346-F348 HydrophobicContact CG2-CD2 3.83Å; I346-F348 HydrophobicContact CG2-CE2 4.18Å
347H32.4Very low33.8Very low181 Ų181162.3 Ų162.384%0.83880%0.802SS**  trans-138.5102.8159.4-89.3-77.2000111.1
348F29.7Very low33.3Very low175 Ų175161.5 Ų161.577%0.76880%0.799SS**  trans-81.1144.3157.7-78.3-98.8000109.2I346I346-F348 HydrophobicContact CG2-CD2 3.83Å; I346-F348 HydrophobicContact CG2-CE2 4.18Å
349L32.2Very low32.9Very low160 Ų160159.3 Ų159.384%0.83880%0.795SS**  trans-135.179163.3-80.4177.3000109.6
350T28.8Very low33.2Very low125 Ų125158 Ų15877%0.76780%0.795SS**  trans-84.8120.115537.90000108.6
351L34.1Very low33Very low172 Ų172155.8 Ų155.890%0.90179%0.792SS**  trans-126.8122155.5-80.2178.2000108.5
352Q28.1Very low32.7Very low156 Ų156153 Ų15373%0.72979%0.792SS**  trans-109.6127.4170.1165.2-179.2-13.200104.8E354Q352-E354 HydrophobicContact CG-CG 4.24Å; Q352-E354 PolarHBondContact NE2-OE1 2.94Å
353E30.1Very low32.4Very low195 Ų195153 Ų15391%0.91179%0.792SS**  trans-134.6132.3167.4-168.9161.5-141.700107.5
354E31.6Very low32.2Very low143 Ų143155.2 Ų155.267%0.66880%0.803SS**  trans-107.4143-166.2-64.5166156.400109.5Q352Q352-E354 HydrophobicContact CG-CG 4.24Å; Q352-E354 PolarHBondContact NE2-OE1 2.94Å
355L32.6Very low31.6Very low176 Ų176158.1 Ų158.192%0.92181%0.805SS**  trans-147138.4149.3-145.276.5000110.7
356E29.5Very low31.5Very low184 Ų184159.1 Ų159.186%0.8681%0.805SS**  trans-70.8162.7176.1-58.5162.7135.100109.4
357D29.1Very low31.4Very low123 Ų123160.7 Ų160.766%0.65881%0.809SS**  -167.8165.754.5175.535000111
358R28.6Very low31.3Very low216 Ų216159.8 Ų159.882%0.81581%0.806SS**  trans66.4131.9169-84.3177.7171.685.5-6.4120.4
359A26.9Very low31.2Very low89 Ų89159.5 Ų159.574%0.73681%0.807SS**  trans-109.7-165.215700000109.5
360P43.8Very low30.9Very low120 Ų120158.1 Ų158.178%0.77981%0.805SS**  -112.4178.5-88.839.8-29000112
361L27.6Very low31Very low162 Ų162161.4 Ų161.485%0.84881%0.805SS**  trans-168.9155.4144.9-111.7168.8000112.3
362D27.8Very low30.7Very low141 Ų141160.3 Ų160.375%0.75481%0.806SS**  trans-84.5152.3171.9-41.8-91.3000111.9
363T34.2Very low30.8Very low142 Ų142160 Ų16087%0.87180%0.804SS**  trans-155.6145.2147.229.40000109.2
364E32.4Very low30.7Very low185 Ų185157.6 Ų157.686%0.86479%0.793SS**  trans-87.8-145.7167.8-58.9-169.4137.600110.1
365E34.7Very low30.4Very low183 Ų183157.2 Ų157.286%0.85580%0.795SS**  trans77.1104.1-167.6-55.7173.2-161.500111.8
366E32.4Very low30.3Very low178 Ų178152.6 Ų152.683%0.83278%0.778SS**  cis88.8142.345.3-65.4-157.8125.400115.6
367E32.9Very low30.3Very low168 Ų168155.2 Ų155.279%0.78578%0.78SS**  trans76.4144.1157.2-76.8-176.2168.500124.4
368E29.9Very low30.4Very low163 Ų163153 Ų15376%0.76278%0.779SS**  trans43.7114.9161.5-60.6-165.8158.100120.6
369E28.9Very low30.4Very low169 Ų169151 Ų15179%0.7978%0.778SS**  61.4113.671.6-69.5-152.9-165.100115.1
370T25.9Very low30.7Very low130 Ų130157.4 Ų157.480%0.79878%0.783SS**  -179145.8111.4-78.90000111.8
371Y28.9Very low29.9Very low194 Ų194155 Ų15576%0.76178%0.781SS**  trans-60.7151.5175.9-69.7-103000114.2
372T29Very low30.2Very low150 Ų150158.6 Ų158.692%0.9278%0.783SS**  -140.1158.3128.28.90000110.3
373Q30.1Very low30.4Very low148 Ų148157.4 Ų157.469%0.69278%0.781SS**  trans-129.9170.1-162.9-151.3-172.374.200110.7
374Q28.5Very low30.1Very low145 Ų145154 Ų15468%0.67877%0.774SS**  trans81.1124.2156.1-67.8175.111.300119.8
375D25.6Very low30.2Very low136 Ų136152.4 Ų152.473%0.72777%0.77SS**  78.6148.3125.7-78.8-13.7000122.7
376S30.3Very low30.1Very low78 Ų78149 Ų14955%0.54577%0.766SS.*  cis-167.2147.5-27-127.90000111.2
377R29Very low29.9Very low239 Ų239145.9 Ų145.990%0.90276%0.764SS**  trans64164.7154.6-63.3165.7-179.51780.6117.1
378A30.2Very low29.6Very low78 Ų78143.2 Ų143.265%0.64576%0.764SS**  cis-179.1139.4-39.200000107.7
379H29.3Very low29.7Very low172 Ų172145.9 Ų145.980%0.79677%0.767SS**  trans178150.5152.5-100.228.8000110.3
380R32.9Very low29.7Very low224 Ų224142.4 Ų142.485%0.84576%0.757SS**  cis-166.9137.3-26.5-150.4178.6-168.7-168.86.3110.1
381G27.2Very low30.5Very low70 Ų70143.6 Ų143.672%0.72276%0.758SS**  trans163.684.717300000113
382R33Very low30.9Very low237 Ų237140.7 Ų140.789%0.89475%0.751SS**  51126.883.9-98-166.2162.9-169-5.4113.8
383T32.1Very low31.3Very low117 Ų117141.4 Ų141.472%0.71874%0.744SS**  cis-160.3141.8-6.8-14.70000106.5
384G28.9Very low31.6Very low70 Ų70141.6 Ų141.672%0.72275%0.745SS**  85.614683.400000112.6
385I35.3Very low31.8Very low152 Ų152142.7 Ų142.778%0.77976%0.755SS**  cis-164.1138.46.6-114.3158.6000110.1
386S31.2Very low32.2Very low111 Ų111140.7 Ų140.778%0.77675%0.751SS**  trans48.2164152.4-43.40000121.3
387S29.1Very low33.2Very low113 Ų113146 Ų14679%0.7977%0.767SS**  cis-160171.31.9-149.60000111.9
388S27.2Very low34.5Very low111 Ų111138.6 Ų138.678%0.77674%0.743SS**  trans75.3150.9150.9-167.90000119.7
389R30.7Very low36.2Very low219 Ų219138.4 Ų138.483%0.82674%0.735SS**  cis-179.5151.2-33.8-159.1-175.1-159.1-177.14.6107.8
390V29.9Very low37.8Very low97 Ų97136.7 Ų136.759%0.58873%0.731SS**  trans71.1119172.3-159.40000111.5E392V390-E392 WeakPolarHBondContact CG1-OE1 3.42Å
391L41.6Very low39.8Very low154 Ų154129.9 Ų129.981%0.80672%0.718SS**  64.7160.657.2-53.9170.3000111.1
392E38.5Very low41.6Very low133 Ų133134.4 Ų134.462%0.62171%0.713SS**  cis-111.6-177.1-2.3-73.372.9-138.600109.1V390V390-E392 WeakPolarHBondContact CG1-OE1 3.42Å
393E36.6Very low43.7Very low165 Ų165130.5 Ų130.577%0.77170%0.699SS**  cis-172.6161.5-12.5-108.1165.1-141.200105.2
394E36.4Very low46.1Very low153 Ų153134.5 Ų134.572%0.71570%0.7SS**  cis-161.7146.8-34.9-126.5-173.9-144.300109.4C396E394-C396 PolarHBondContact OE2-SG 3.42Å
395D34Very low49.1Very low168 Ų168136.2 Ų136.290%0.89869%0.69SS**  trans-152.3102161.1-154.40.8000107.4E397D395-E397 PolarHBondContact O-N 2.92Å
396C33.7Very low51.5Low93 Ų93136.5 Ų136.563%0.62868%0.681SS**  trans-94.3101.7-154.7-89.70000114.2E394 E398E394-C396 PolarHBondContact OE2-SG 3.42Å; C396-E398 PolarHBondContact O-N 3.27Å; C396-E398 VanDerWaalsContact O-N 3.15Å
397E50.9Low54.2Low190 Ų190135.1 Ų135.189%0.88867%0.665SS**  trans-67.9106.6162.9-71.3-160.8149.100110.7D395 P399D395-E397 PolarHBondContact O-N 2.92Å; E397-P399 WeakPolarHBondContact O-CD 3.34Å
398E56.1Low57.3Low83 Ų83137.4 Ų137.439%0.38866%0.656SS.*  trans-57117.8178-171.9179.9-128.600110.5C396 L400 W402 R406C396-E398 PolarHBondContact O-N 3.27Å; C396-E398 VanDerWaalsContact O-N 3.15Å; E398-L400 PolarHBondContact O-N 3.41Å; E398-W402 HydrophobicContact CG-CB 3.85Å; E398-R406 IonicContact OE1-CZ 2.73Å; E398-R406 IonicContact OE1-NH1 3.68Å; E398-R406 PolarHBondContact OE1-NH1 3.36Å; E398-R406 IonicContact OE2-NH1 3.77Å
399P65.4Low60.4Low75 Ų75137.4 Ų137.449%0.48764%0.642SS.*  trans-55.7141.8-173.2-29.836000113.2E397 S401 W402 R403E397-P399 WeakPolarHBondContact O-CD 3.34Å; P399-S401 PolarHBondContact O-N 3.16Å; P399-W402 WeakPolarHBondContact O-CA 3.4Å; P399-W402 WeakPolarHBondContact O-CB 3.21Å; P399-W402 PolarHBondContact O-N 3.43Å; P399-R403 PolarHBondContact O-N 3.06Å; P399-R403 VanDerWaalsContact O-N 3.14Å
400L62.3Low63.3Low135 Ų135129 Ų12971%0.70762%0.62SS**Hα-helixtrans-56.5-24.3-173.9-62.8177.4000114.1E398 R404E398-L400 PolarHBondContact O-N 3.41Å; L400-R404 WeakPolarHBondContact O-CG 3.33Å; L400-R404 PolarHBondContact O-N 2.78Å
401S74.8Confident66.1Low82 Ų82128.9 Ų128.957%0.57361%0.613SS**Hα-helixtrans-65.7-46170.5490000112.8P399 R404 Q405P399-S401 PolarHBondContact O-N 3.16Å; S401-R404 PolarHBondContact O-N 3.21Å; S401-Q405 WeakPolarHBondContact O-CB 3.32Å; S401-Q405 PolarHBondContact O-N 2.85Å
402W66.9Low68.6Low164 Ų164127.3 Ų127.362%0.62160%0.601SS**Hα-helixtrans-63-42.6173.7-87106.2000111.5E398 P399 R404 Q405 R406E398-W402 HydrophobicContact CG-CB 3.85Å; P399-W402 WeakPolarHBondContact O-CA 3.4Å; P399-W402 WeakPolarHBondContact O-CB 3.21Å; P399-W402 PolarHBondContact O-N 3.43Å; W402-R404 PolarHBondContact O-N 2.82Å; W402-Q405 PolarHBondContact O-N 2.72Å; W402-R406 WeakPolarHBondContact O-CB 3.48Å; W402-R406 PolarHBondContact O-N 3.03Å
403R76.3Confident71.2Confident156 Ų156126.9 Ų126.959%0.58960%0.599SS**Hα-helixtrans-61.9-41.1176.5-161.2173.4-170-104.6-0.3112.4P399 R406 N407P399-R403 PolarHBondContact O-N 3.06Å; P399-R403 VanDerWaalsContact O-N 3.14Å; R403-R406 PolarHBondContact O-N 2.68Å; R403-N407 PolarHBondContact O-N 3.36Å
404R83.1Confident74.1Confident201 Ų201124.2 Ų124.276%0.75859%0.59SS**Hα-helixtrans-63.9-43.8171.8-75.1-179.1-175.3-158.61.8112.3L400 S401 W402 R406 N407 R408L400-R404 WeakPolarHBondContact O-CG 3.33Å; L400-R404 PolarHBondContact O-N 2.78Å; S401-R404 PolarHBondContact O-N 3.21Å; W402-R404 PolarHBondContact O-N 2.82Å; R404-R406 VanDerWaalsContact C-N 3.27Å; R404-R406 PolarHBondContact O-N 3.1Å; R404-N407 PolarHBondContact O-N 2.89Å; R404-R408 WeakPolarHBondContact O-CB 3.39Å; R404-R408 PolarHBondContact O-N 2.86Å
405Q90.3Very high76.7Confident106 Ų106123.4 Ų123.450%0.49559%0.585SS.*Hα-helixtrans-64-33.2177.8-167.568.6-000112.2S401 W402 K409S401-Q405 WeakPolarHBondContact O-CB 3.32Å; S401-Q405 PolarHBondContact O-N 2.85Å; W402-Q405 PolarHBondContact O-N 2.72Å; Q405-K409 WeakPolarHBondContact O-CG 3.31Å; Q405-K409 PolarHBondContact O-N 3.21Å
406R87.5Confident79.6Confident157 Ų157119.7 Ų119.759%0.59256%0.562SS**Hα-helixtrans-70.6-46.7176.1-163.1176.2-160.8136.63.8111.9E398 W402 R403 R404 R408 K409 A410E398-R406 IonicContact OE1-CZ 2.73Å; E398-R406 IonicContact OE1-NH1 3.68Å; E398-R406 PolarHBondContact OE1-NH1 3.36Å; E398-R406 IonicContact OE2-NH1 3.77Å; W402-R406 WeakPolarHBondContact O-CB 3.48Å; W402-R406 PolarHBondContact O-N 3.03Å; R403-R406 PolarHBondContact O-N 2.68Å; R404-R406 VanDerWaalsContact C-N 3.27Å; R404-R406 PolarHBondContact O-N 3.1Å; R406-R408 PolarHBondContact O-N 2.84Å; R406-K409 PolarHBondContact O-N 2.85Å; R406-A410 PolarHBondContact O-N 2.76Å
407N87.6Confident82.5Confident82 Ų82120.2 Ų120.244%0.43956%0.557SS.*Hα-helixtrans-58.3-46.3172.2-84.224.7000111.5R403 R404 K409 A410 E411R403-N407 PolarHBondContact O-N 3.36Å; R404-N407 PolarHBondContact O-N 2.89Å; N407-K409 PolarHBondContact O-N 2.94Å; N407-A410 CarbonylContact O-C 3.58Å; N407-A410 WeakPolarHBondContact O-CA 3.41Å; N407-A410 WeakPolarHBondContact O-CB 3.44Å; N407-A410 PolarHBondContact O-N 3.43Å; N407-E411 WeakPolarHBondContact O-CG 3.37Å; N407-E411 PolarHBondContact O-N 2.8Å
408R93.7Very high84.6Confident162 Ų162114.2 Ų114.261%0.61154%0.536SS*.Hα-helixtrans-61.6-29.6-179.7-161.2171.6-169.3160.25.4113.7R404 R406 E411 Q412R404-R408 WeakPolarHBondContact O-CB 3.39Å; R404-R408 PolarHBondContact O-N 2.86Å; R406-R408 PolarHBondContact O-N 2.84Å; R408-E411 WeakPolarHBondContact CA-OE2 3.42Å; R408-Q412 VanDerWaalsContact O-CG 3.24Å; R408-Q412 WeakPolarHBondContact O-CG 3.43Å; R408-Q412 PolarHBondContact O-N 2.93Å
409K92.4Very high86.5Confident110 Ų110113.9 Ų113.948%0.47854%0.535SS..Hα-helixtrans-72.7-44.8170-73.4-178.9176.7-170.80112.2Q405 R406 N407 E411 Q412 E413Q405-K409 WeakPolarHBondContact O-CG 3.31Å; Q405-K409 PolarHBondContact O-N 3.21Å; R406-K409 PolarHBondContact O-N 2.85Å; N407-K409 PolarHBondContact O-N 2.94Å; K409-E411 VanDerWaalsContact C-N 3.29Å; K409-E411 PolarHBondContact O-N 3.16Å; K409-Q412 WeakPolarHBondContact O-CB 3.43Å; K409-Q412 PolarHBondContact O-N 3.22Å; K409-Q412 VanDerWaalsContact O-N 3.13Å; K409-E413 WeakPolarHBondContact O-CG 3.49Å; K409-E413 PolarHBondContact O-N 3.28Å
410A90.8Very high88Confident43 Ų43116.1 Ų116.136%0.35554%0.536SS..Hα-helixtrans-61.4-37.7175.900000112.2R406 N407 E413 L414R406-A410 PolarHBondContact O-N 2.76Å; N407-A410 CarbonylContact O-C 3.58Å; N407-A410 WeakPolarHBondContact O-CA 3.41Å; N407-A410 WeakPolarHBondContact O-CB 3.44Å; N407-A410 PolarHBondContact O-N 3.43Å; A410-E413 PolarHBondContact O-N 3.01Å; A410-L414 WeakPolarHBondContact O-CB 3.26Å; A410-L414 VanDerWaalsContact O-CG 3.24Å; A410-L414 WeakPolarHBondContact O-CG 3.23Å; A410-L414 PolarHBondContact O-N 3.35Å
411E90.3Very high89.5Confident95 Ų95115.2 Ų115.244%0.44453%0.532SS..Hα-helixtrans-61.1-45171.6-71.2154.6-158.400111.3N407 R408 K409 L414 H415N407-E411 WeakPolarHBondContact O-CG 3.37Å; N407-E411 PolarHBondContact O-N 2.8Å; R408-E411 WeakPolarHBondContact CA-OE2 3.42Å; K409-E411 VanDerWaalsContact C-N 3.29Å; K409-E411 PolarHBondContact O-N 3.16Å; E411-L414 PolarHBondContact O-N 3.47Å; E411-H415 WeakPolarHBondContact O-CB 3.49Å; E411-H415 PolarHBondContact O-CD2 2.9Å; E411-H415 PolarHBondContact O-N 2.98Å
412Q92.6Very high90.5Very high120 Ų120113.5 Ų113.556%0.56152%0.52SS*.Hα-helixtrans-64.8-39.8175-73.8169.5-19.200112.8R408 K409 H415 H416R408-Q412 VanDerWaalsContact O-CG 3.24Å; R408-Q412 WeakPolarHBondContact O-CG 3.43Å; R408-Q412 PolarHBondContact O-N 2.93Å; K409-Q412 WeakPolarHBondContact O-CB 3.43Å; K409-Q412 PolarHBondContact O-N 3.22Å; K409-Q412 VanDerWaalsContact O-N 3.13Å; Q412-H415 PolarHBondContact O-N 3.16Å; Q412-H416 WeakPolarHBondContact O-CB 3.39Å; Q412-H416 PolarHBondContact O-N 3.34Å
413E94.7Very high91.9Very high125 Ų125112.8 Ų112.858%0.58452%0.517SS*.Hα-helixtrans-65.1-42.7174.9-72.8166.6-156.900111.3K409 A410 H416 M417K409-E413 WeakPolarHBondContact O-CG 3.49Å; K409-E413 PolarHBondContact O-N 3.28Å; A410-E413 PolarHBondContact O-N 3.01Å; E413-H416 PolarHBondContact O-N 2.81Å; E413-M417 WeakPolarHBondContact O-CG 3.07Å; E413-M417 PolarHBondContact O-N 3.16Å
414L95.5Very high92.8Very high109 Ų109111.3 Ų111.357%0.57151%0.511SS*.Hα-helixtrans-63.1-45173.8-75.3168.4000111.9A410 E411 H416 M417 S418A410-L414 WeakPolarHBondContact O-CB 3.26Å; A410-L414 VanDerWaalsContact O-CG 3.24Å; A410-L414 WeakPolarHBondContact O-CG 3.23Å; A410-L414 PolarHBondContact O-N 3.35Å; E411-L414 PolarHBondContact O-N 3.47Å; L414-H416 PolarHBondContact O-N 3.01Å; L414-M417 HydrophobicContact CD2-CE 3.97Å; L414-M417 PolarHBondContact O-N 2.98Å; L414-S418 PolarHBondContact O-N 3.07Å
415H91.4Very high93.3Very high135 Ų135107.2 Ų107.263%0.62550%0.504SS*.Hα-helixtrans-58.9-46.6174.5-82.6-62.5000111.5E411 Q412 M417 S418 E419E411-H415 WeakPolarHBondContact O-CB 3.49Å; E411-H415 PolarHBondContact O-CD2 2.9Å; E411-H415 PolarHBondContact O-N 2.98Å; Q412-H415 PolarHBondContact O-N 3.16Å; H415-M417 VanDerWaalsContact C-N 3.32Å; H415-M417 PolarHBondContact O-N 3.4Å; H415-S418 WeakPolarHBondContact CA-OG 3.33Å; H415-S418 PolarHBondContact O-N 3.48Å; H415-S418 VanDerWaalsContact O-N 3.13Å; H415-S418 PolarHBondContact O-OG 3.18Å; H415-E419 WeakPolarHBondContact O-CB 3.41Å; H415-E419 PolarHBondContact O-N 3Å
416H96.1Very high93.4Very high90 Ų90107.1 Ų107.142%0.41750%0.504SS..Hα-helixtrans-66.1-32.2178.5-176.251.9000113.1Q412 E413 L414 E419 K420Q412-H416 WeakPolarHBondContact O-CB 3.39Å; Q412-H416 PolarHBondContact O-N 3.34Å; E413-H416 PolarHBondContact O-N 2.81Å; L414-H416 PolarHBondContact O-N 3.01Å; H416-E419 IonicContact ND1-OE2 3.38Å; H416-K420 VanDerWaalsContact NE2-CE 3.28Å; H416-K420 WeakPolarHBondContact NE2-CE 3.39Å; H416-K420 PolarHBondContact NE2-NZ 2.89Å; H416-K420 WeakPolarHBondContact O-CG 3.29Å; H416-K420 PolarHBondContact O-N 3.07Å; H416-K420 VanDerWaalsContact O-N 3.14Å
417M93.4Very high93.8Very high105 Ų105103.8 Ų103.852%0.51750%0.495SS..Hα-helixtrans-70.6-39.7169.6-71.9-165.4-6100112.2E413 L414 H415 E419 K420 L421E413-M417 WeakPolarHBondContact O-CG 3.07Å; E413-M417 PolarHBondContact O-N 3.16Å; L414-M417 HydrophobicContact CD2-CE 3.97Å; L414-M417 PolarHBondContact O-N 2.98Å; H415-M417 VanDerWaalsContact C-N 3.32Å; H415-M417 PolarHBondContact O-N 3.4Å; M417-E419 VanDerWaalsContact C-N 3.32Å; M417-E419 PolarHBondContact O-N 3.22Å; M417-K420 PolarHBondContact O-N 2.8Å; M417-L421 WeakPolarHBondContact O-CG 3.35Å; M417-L421 PolarHBondContact O-N 3.37Å
418S94.6Very high94.1Very high63 Ų63103.8 Ų103.844%0.44149%0.494SS..Hα-helixtrans-64.2-36.5175.970.90000112.4L414 H415 L421 S422L414-S418 PolarHBondContact O-N 3.07Å; H415-S418 WeakPolarHBondContact CA-OG 3.33Å; H415-S418 PolarHBondContact O-N 3.48Å; H415-S418 VanDerWaalsContact O-N 3.13Å; H415-S418 PolarHBondContact O-OG 3.18Å; S418-L421 PolarHBondContact O-N 3.05Å; S418-S422 PolarHBondContact O-N 3.02Å
419E96.6Very high94Very high77 Ų7799.1 Ų99.136%0.3648%0.481SS..Hα-helixtrans-68.2-39.4175.3-170.9-164-171.300111.4H415 H416 M417 L421 S422 R423H415-E419 WeakPolarHBondContact O-CB 3.41Å; H415-E419 PolarHBondContact O-N 3Å; H416-E419 IonicContact ND1-OE2 3.38Å; M417-E419 VanDerWaalsContact C-N 3.32Å; M417-E419 PolarHBondContact O-N 3.22Å; E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 3.4Å; E419-S422 PolarHBondContact O-N 2.94Å; E419-S422 PolarHBondContact O-OG 3.4Å; E419-S422 VanDerWaalsContact O-OG 3.12Å; E419-R423 WeakPolarHBondContact O-CB 3.48Å; E419-R423 WeakPolarHBondContact O-CD 3.45Å; E419-R423 WeakPolarHBondContact O-CG 3.29Å; E419-R423 PolarHBondContact O-N 3.1Å; E419-R423 IonicContact OE1-CZ 3.36Å; E419-R423 IonicContact OE1-NE 3.44Å; E419-R423 PolarHBondContact OE1-NE 3.36Å; E419-R423 IonicContact OE1-NH2 3.43Å; E419-R423 PolarHBondContact OE1-NH2 3.23Å
420K96.7Very high94Very high121 Ų12198.3 Ų98.353%0.52648%0.482SS..Hα-helixtrans-63.2-37.9171.7-81.6167163.1163.50112.2H416 M417 R424H416-K420 VanDerWaalsContact NE2-CE 3.28Å; H416-K420 WeakPolarHBondContact NE2-CE 3.39Å; H416-K420 PolarHBondContact NE2-NZ 2.89Å; H416-K420 WeakPolarHBondContact O-CG 3.29Å; H416-K420 PolarHBondContact O-N 3.07Å; H416-K420 VanDerWaalsContact O-N 3.14Å; M417-K420 PolarHBondContact O-N 2.8Å; K420-R424 WeakPolarHBondContact O-CB 3.43Å; K420-R424 PolarHBondContact O-N 3.03Å; K420-R424 VanDerWaalsContact O-N 3.1Å
421L95.4Very high93.9Very high116 Ų116101 Ų10161%0.60749%0.488SS*.Hα-helixtrans-71.2-40.9175.8-70.6170.3000111.9M417 S418 E419 R424 L425M417-L421 WeakPolarHBondContact O-CG 3.35Å; M417-L421 PolarHBondContact O-N 3.37Å; S418-L421 PolarHBondContact O-N 3.05Å; E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 3.4Å; L421-R424 PolarHBondContact O-N 2.85Å; L421-L425 VanDerWaalsContact O-CG 3.32Å; L421-L425 WeakPolarHBondContact O-CG 3.49Å; L421-L425 PolarHBondContact O-N 3.38Å
422S94.8Very high93.7Very high47 Ų47101.3 Ų101.333%0.32949%0.493SS..Hα-helixtrans-63.2-49.2176.478.70000110.9S418 E419 R424 L425 E426S418-S422 PolarHBondContact O-N 3.02Å; E419-S422 PolarHBondContact O-N 2.94Å; E419-S422 PolarHBondContact O-OG 3.4Å; E419-S422 VanDerWaalsContact O-OG 3.12Å; S422-R424 PolarHBondContact O-N 2.93Å; S422-L425 CarbonylContact O-C 3.48Å; S422-L425 WeakPolarHBondContact O-CA 3.47Å; S422-L425 WeakPolarHBondContact O-CB 3.2Å; S422-L425 PolarHBondContact O-N 3.26Å; S422-E426 WeakPolarHBondContact O-CB 3.46Å; S422-E426 VanDerWaalsContact O-CG 3.3Å; S422-E426 WeakPolarHBondContact O-CG 3.44Å; S422-E426 PolarHBondContact O-N 2.96Å
423R95.3Very high93.4Very high149 Ų14999.9 Ų99.956%0.56248%0.484SS*.Hα-helixtrans-56.6-35.9174.4-69.2168.2-178.5-133.19.5112.5E419 E427E419-R423 WeakPolarHBondContact O-CB 3.48Å; E419-R423 WeakPolarHBondContact O-CD 3.45Å; E419-R423 WeakPolarHBondContact O-CG 3.29Å; E419-R423 PolarHBondContact O-N 3.1Å; E419-R423 IonicContact OE1-CZ 3.36Å; E419-R423 IonicContact OE1-NE 3.44Å; E419-R423 PolarHBondContact OE1-NE 3.36Å; E419-R423 IonicContact OE1-NH2 3.43Å; E419-R423 PolarHBondContact OE1-NH2 3.23Å; R423-E427 WeakPolarHBondContact O-CB 3.38Å; R423-E427 PolarHBondContact O-N 3.19Å
424R95.6Very high93.1Very high124 Ų124102.5 Ų102.547%0.46849%0.489SS..Hα-helixtrans-76-31.5176.6-173.657.8-179.6-173.910.3112.8K420 L421 S422 E427 L428K420-R424 WeakPolarHBondContact O-CB 3.43Å; K420-R424 PolarHBondContact O-N 3.03Å; K420-R424 VanDerWaalsContact O-N 3.1Å; L421-R424 PolarHBondContact O-N 2.85Å; S422-R424 PolarHBondContact O-N 2.93Å; R424-E427 WeakPolarHBondContact CD-OE2 3.47Å; R424-E427 IonicContact CZ-OE1 3.11Å; R424-E427 IonicContact CZ-OE2 3.3Å; R424-E427 IonicContact NE-OE2 3.92Å; R424-E427 IonicContact NH1-OE1 2.8Å; R424-E427 PolarHBondContact NH1-OE1 3.33Å; R424-E427 IonicContact NH1-OE2 3.53Å; R424-E427 PolarHBondContact NH1-OE2 3.15Å; R424-L428 WeakPolarHBondContact O-CB 3.37Å; R424-L428 VanDerWaalsContact O-CG 3.25Å; R424-L428 WeakPolarHBondContact O-CG 3.46Å; R424-L428 PolarHBondContact O-N 2.91Å
425L93.9Very high92.4Very high116 Ų116101.6 Ų101.661%0.60750%0.497SS*.Hα-helixtrans-71.1-40171.6-71.8167.2000111.2L421 S422 L428 D429L421-L425 VanDerWaalsContact O-CG 3.32Å; L421-L425 WeakPolarHBondContact O-CG 3.49Å; L421-L425 PolarHBondContact O-N 3.38Å; S422-L425 CarbonylContact O-C 3.48Å; S422-L425 WeakPolarHBondContact O-CA 3.47Å; S422-L425 WeakPolarHBondContact O-CB 3.2Å; S422-L425 PolarHBondContact O-N 3.26Å; L425-L428 PolarHBondContact O-N 3.43Å; L425-D429 VanDerWaalsContact O-CB 3.31Å; L425-D429 WeakPolarHBondContact O-CB 3.31Å; L425-D429 PolarHBondContact O-N 3.31Å
426E93.1Very high91.9Very high104 Ų104100.7 Ų100.749%0.48650%0.496SS..Hα-helixtrans-61.1-42.2170.7-69.4156.7-15200111.4S422 D429 L430S422-E426 WeakPolarHBondContact O-CB 3.46Å; S422-E426 VanDerWaalsContact O-CG 3.3Å; S422-E426 WeakPolarHBondContact O-CG 3.44Å; S422-E426 PolarHBondContact O-N 2.96Å; E426-D429 PolarHBondContact O-N 2.85Å; E426-L430 WeakPolarHBondContact O-CB 3.45Å; E426-L430 VanDerWaalsContact O-CG 3.29Å; E426-L430 WeakPolarHBondContact O-CG 3.41Å; E426-L430 PolarHBondContact O-N 3.48Å
427E94.9Very high90.3Very high86 Ų8699.2 Ų99.240%0.40251%0.505SS..Hα-helixtrans-62.8-42.6173.4-170.2-167.4160.100111.7R423 R424 L430 M431R423-E427 WeakPolarHBondContact O-CB 3.38Å; R423-E427 PolarHBondContact O-N 3.19Å; R424-E427 WeakPolarHBondContact CD-OE2 3.47Å; R424-E427 IonicContact CZ-OE1 3.11Å; R424-E427 IonicContact CZ-OE2 3.3Å; R424-E427 IonicContact NE-OE2 3.92Å; R424-E427 IonicContact NH1-OE1 2.8Å; R424-E427 PolarHBondContact NH1-OE1 3.33Å; R424-E427 IonicContact NH1-OE2 3.53Å; R424-E427 PolarHBondContact NH1-OE2 3.15Å; E427-L430 PolarHBondContact O-N 3.03Å; E427-M431 WeakPolarHBondContact O-CB 3.3Å; E427-M431 VanDerWaalsContact O-CG 3.31Å; E427-M431 WeakPolarHBondContact O-CG 3.48Å; E427-M431 PolarHBondContact O-N 2.9Å
428L93.9Very high88.7Confident82 Ų82101.3 Ų101.343%0.42951%0.514SS..Hα-helixtrans-68.3-37.2176.8-74.4169.7000112.5R424 L425 M431 L432R424-L428 WeakPolarHBondContact O-CB 3.37Å; R424-L428 VanDerWaalsContact O-CG 3.25Å; R424-L428 WeakPolarHBondContact O-CG 3.46Å; R424-L428 PolarHBondContact O-N 2.91Å; L425-L428 PolarHBondContact O-N 3.43Å; L428-M431 PolarHBondContact O-N 3.44Å; L428-L432 WeakPolarHBondContact O-CB 3.35Å; L428-L432 PolarHBondContact O-N 2.99Å
429D92.6Very high86.4Confident64 Ų64102.7 Ų102.734%0.34252%0.523SS..Hα-helixtrans-66.8-40.9173.1170.759000111.6L425 E426 L432 K433L425-D429 VanDerWaalsContact O-CB 3.31Å; L425-D429 WeakPolarHBondContact O-CB 3.31Å; L425-D429 PolarHBondContact O-N 3.31Å; E426-D429 PolarHBondContact O-N 2.85Å; D429-L432 WeakPolarHBondContact O-CB 3.47Å; D429-L432 PolarHBondContact O-N 2.94Å; D429-K433 WeakPolarHBondContact O-CB 3.31Å; D429-K433 WeakPolarHBondContact O-CG 3.37Å; D429-K433 PolarHBondContact O-N 3.37Å; D429-K433 WeakPolarHBondContact OD1-CE 3.49Å; D429-K433 IonicContact OD1-NZ 2.69Å; D429-K433 PolarHBondContact OD1-NZ 3.17Å; D429-K433 WeakPolarHBondContact OD2-CE 3.25Å; D429-K433 IonicContact OD2-NZ 2.66Å; D429-K433 PolarHBondContact OD2-NZ 2.67Å
430L92.6Very high83.8Confident93 Ų93102.5 Ų102.549%0.48754%0.543SS..Hα-helixtrans-63.9-38.2170.5-76.5166.5000112.3E426 E427 R434E426-L430 WeakPolarHBondContact O-CB 3.45Å; E426-L430 VanDerWaalsContact O-CG 3.29Å; E426-L430 WeakPolarHBondContact O-CG 3.41Å; E426-L430 PolarHBondContact O-N 3.48Å; E427-L430 PolarHBondContact O-N 3.03Å; L430-R434 WeakPolarHBondContact O-CB 3.48Å; L430-R434 WeakPolarHBondContact O-CD 3.27Å; L430-R434 VanDerWaalsContact O-CG 3.23Å; L430-R434 WeakPolarHBondContact O-CG 3.4Å; L430-R434 PolarHBondContact O-N 3.05Å
431M87.8Confident81Confident99 Ų99105.4 Ų105.449%0.48856%0.558SS.*Hα-helixtrans-66.4-39.4171.8-75.1-179.567.100111.8E427 L428 R434 A435E427-M431 WeakPolarHBondContact O-CB 3.3Å; E427-M431 VanDerWaalsContact O-CG 3.31Å; E427-M431 WeakPolarHBondContact O-CG 3.48Å; E427-M431 PolarHBondContact O-N 2.9Å; L428-M431 PolarHBondContact O-N 3.44Å; M431-R434 PolarHBondContact O-N 2.86Å; M431-A435 WeakPolarHBondContact O-CB 3.33Å; M431-A435 PolarHBondContact O-N 3.44Å
432L85.9Confident78.8Confident103 Ų103104.7 Ų104.754%0.53956%0.56SS.*Hα-helixtrans-63.7-49176.6-162.185.1000110.7L428 D429 R434 A435 L436L428-L432 WeakPolarHBondContact O-CB 3.35Å; L428-L432 PolarHBondContact O-N 2.99Å; D429-L432 WeakPolarHBondContact O-CB 3.47Å; D429-L432 PolarHBondContact O-N 2.94Å; L432-R434 VanDerWaalsContact C-N 3.3Å; L432-R434 PolarHBondContact O-N 3.34Å; L432-A435 CarbonylContact O-C 3.56Å; L432-A435 PolarHBondContact O-N 3.45Å; L432-A435 VanDerWaalsContact O-N 3.1Å; L432-L436 HydrophobicContact CD2-CD1 4.09Å; L432-L436 HydrophobicContact CG-CD1 3.93Å; L432-L436 HydrophobicContact CG-CG 4.5Å; L432-L436 WeakPolarHBondContact O-CB 3.46Å; L432-L436 VanDerWaalsContact O-CG 3.29Å; L432-L436 WeakPolarHBondContact O-CG 3.3Å; L432-L436 PolarHBondContact O-N 2.84Å
433K86.9Confident76.1Confident89 Ų89109.8 Ų109.839%0.38758%0.584SS.*Hα-helixtrans-61.2-35.4177.2-74.4164.2176.9164.70112.9D429 G437 E438D429-K433 WeakPolarHBondContact O-CB 3.31Å; D429-K433 WeakPolarHBondContact O-CG 3.37Å; D429-K433 PolarHBondContact O-N 3.37Å; D429-K433 WeakPolarHBondContact OD1-CE 3.49Å; D429-K433 IonicContact OD1-NZ 2.69Å; D429-K433 PolarHBondContact OD1-NZ 3.17Å; D429-K433 WeakPolarHBondContact OD2-CE 3.25Å; D429-K433 IonicContact OD2-NZ 2.66Å; D429-K433 PolarHBondContact OD2-NZ 2.67Å; K433-G437 PolarHBondContact O-N 2.6Å; K433-G437 VanDerWaalsContact O-N 3.16Å; K433-E438 PolarHBondContact O-N 2.84Å
434R87.4Confident73.3Confident181 Ų181111.2 Ų111.268%0.68360%0.597SS**Hα-helixtrans-68.7-42.7171-74.6170178.9173.71.1112.4L430 M431 L432 L436 G437L430-R434 WeakPolarHBondContact O-CB 3.48Å; L430-R434 WeakPolarHBondContact O-CD 3.27Å; L430-R434 VanDerWaalsContact O-CG 3.23Å; L430-R434 WeakPolarHBondContact O-CG 3.4Å; L430-R434 PolarHBondContact O-N 3.05Å; M431-R434 PolarHBondContact O-N 2.86Å; L432-R434 VanDerWaalsContact C-N 3.3Å; L432-R434 PolarHBondContact O-N 3.34Å; R434-L436 VanDerWaalsContact C-N 3.33Å; R434-G437 PolarHBondContact O-N 2.86Å
435A81.8Confident70.6Confident89 Ų89110.4 Ų110.474%0.73661%0.605SS**Hα-helixtrans-68.6-30.9177.900000113M431 L432 G437M431-A435 WeakPolarHBondContact O-CB 3.33Å; M431-A435 PolarHBondContact O-N 3.44Å; L432-A435 CarbonylContact O-C 3.56Å; L432-A435 PolarHBondContact O-N 3.45Å; L432-A435 VanDerWaalsContact O-N 3.1Å; A435-G437 VanDerWaalsContact C-N 3.32Å
436L80.2Confident68Low116 Ų116113.1 Ų113.161%0.60761%0.612SS**THydrogen-bonded Turntrans-83.6-4.7173.6-65.6172.1000113.4L432 R434 E438L432-L436 HydrophobicContact CD2-CD1 4.09Å; L432-L436 HydrophobicContact CG-CD1 3.93Å; L432-L436 HydrophobicContact CG-CG 4.5Å; L432-L436 WeakPolarHBondContact O-CB 3.46Å; L432-L436 VanDerWaalsContact O-CG 3.29Å; L432-L436 WeakPolarHBondContact O-CG 3.3Å; L432-L436 PolarHBondContact O-N 2.84Å; R434-L436 VanDerWaalsContact C-N 3.33Å; L436-E438 VanDerWaalsContact C-N 3.33Å; L436-E438 PolarHBondContact O-N 2.8Å
437G62.9Low65.5Low59 Ų59115.2 Ų115.261%0.60862%0.622SS**THydrogen-bonded Turntrans72.315.7175.100000115.8K433 R434 A435 S439K433-G437 PolarHBondContact O-N 2.6Å; K433-G437 VanDerWaalsContact O-N 3.16Å; R434-G437 PolarHBondContact O-N 2.86Å; A435-G437 VanDerWaalsContact C-N 3.32Å; G437-S439 VanDerWaalsContact C-N 3.27Å; G437-S439 PolarHBondContact O-N 3.23Å
438E59Low63.2Low150 Ų150118 Ų11870%0.70164%0.635SS**  trans-80.10.9-175.2-72.2-162.9130.200114.6K433 L436 G440K433-E438 PolarHBondContact O-N 2.84Å; L436-E438 VanDerWaalsContact C-N 3.33Å; L436-E438 PolarHBondContact O-N 2.8Å; E438-G440 VanDerWaalsContact C-N 3.32Å; E438-G440 PolarHBondContact O-N 3.33Å
439S47.2Very low61Low91 Ų91121.6 Ų121.664%0.63666%0.655SS**  trans-777717861.60000112.4G437 E441G437-S439 VanDerWaalsContact C-N 3.27Å; G437-S439 PolarHBondContact O-N 3.23Å; S439-E441 PolarHBondContact O-N 3.37Å
440G42.8Very low58.8Low74 Ų74125.1 Ų125.176%0.76367%0.667SS**  trans-77.4110.416600000111.8E438E438-G440 VanDerWaalsContact C-N 3.32Å; E438-G440 PolarHBondContact O-N 3.33Å
441E37.6Very low56.4Low181 Ų181128.6 Ų128.685%0.84669%0.685SS**  trans-91.1152156.1-89.1-83.7107.500109.1S439S439-E441 PolarHBondContact O-N 3.37Å
442P48Very low54.3Low101 Ų101129.7 Ų129.766%0.65670%0.703SS**  trans-83.8163.2-169.634.3-36.2000114.3
443D38.3Very low52.3Low155 Ų155131.8 Ų131.883%0.82971%0.709SS**  trans18.4123.6165.5-70.9-50000118.4
444E36.1Very low49.9Very low178 Ų178136 Ų13683%0.83273%0.73SS**  -158.4139.177.5-91.9-168.5152.700115.1
445V39Very low47.7Very low107 Ų107133.1 Ų133.165%0.64874%0.738SS**  57.8103129.9-175.50000120.5
446K40.7Very low45.8Very low174 Ų174137 Ų13776%0.75775%0.746SS**  trans69.4158.3138-73.6-175.7171.3-105.40119.3
447E40.8Very low43.8Very low148 Ų148136.7 Ų136.769%0.69275%0.754SS**  cis-141.3-178.9-11.3-93.3-116.4-177.300109.3
448E45.3Very low42.4Very low145 Ų145140.5 Ų140.568%0.67877%0.765SS**  trans-69.5145.7176.6-53.7-179.5-176.800113.5K450E448-K450 IonicContact OE2-NZ 3.5Å; E448-K450 PolarHBondContact OE2-NZ 2.63Å
449D48.2Very low41.3Very low156 Ų156142.1 Ų142.183%0.83478%0.775SS**  -148.5171.2129-147.9-10.5000111.5
450K46.9Very low40.7Very low139 Ų139147 Ų14760%0.60479%0.787SS**  trans-118175.6-162-65.7165.2-174.485.90111.7E448E448-K450 IonicContact OE2-NZ 3.5Å; E448-K450 PolarHBondContact OE2-NZ 2.63Å
451L41.8Very low40.3Very low165 Ų165149.3 Ų149.386%0.86479%0.791SS**  trans77.5103.1169.8-48.3171.3000117.3
452S44.2Very low40.2Very low122 Ų122152.3 Ų152.385%0.85379%0.794SS**  -163.1161.6115.6-163.40000110.4
453H42.3Very low39.5Very low148 Ų148159 Ų15969%0.68581%0.807SS**  trans-110.8166.1-176.8-70.7-91.5000112.8
454H37.7Very low39.5Very low177 Ų177157.6 Ų157.682%0.81981%0.806SS**  trans75.8108.5163.4-43.7-69.5000118.1
455S41.5Very low39.8Very low121 Ų121154.6 Ų154.685%0.84680%0.802SS**  -165.7147104.2-74.80000110.6
456D42.1Very low39.5Very low169 Ų169161.1 Ų161.190%0.90482%0.815SS**  trans-77.7142.5172.8-57.5-76.4000111.7
457S36.6Very low39.3Very low110 Ų110164.3 Ų164.377%0.76982%0.822SS**  trans-173.3119.7141.1-169.60000112.6
458V33.7Very low39.6Very low140 Ų140162.5 Ų162.585%0.84882%0.823SS**  trans61.8142.9153.5177.40000118.6
459M36Very low38.9Very low183 Ų183162.5 Ų162.590%0.90183%0.833SS**  trans-92.3139178-61.6-153.6-55.100112.8
460E34.1Very low38Very low193 Ų193158.6 Ų158.690%0.90283%0.83SS**  trans-128160.6154.6-169.9160-15800110.5
461C36.2Very low37.4Very low124 Ų124158.6 Ų158.684%0.83884%0.842SS**  trans-73133.5-158.4-68.80000115.2R463C461-R463 PolarHBondContact O-N 3Å
462R34Very low38Very low244 Ų244156.7 Ų156.792%0.92184%0.839SS**  trans-61.4118.4168.8-72.9176.5170172.3-3.8112.3
463R34.1Very low37.1Very low242 Ų242162.5 Ų162.591%0.91384%0.842SS**  trans-138.9123.1143.1-75.5-166.5172167.1-0.6110.3C461C461-R463 PolarHBondContact O-N 3Å
464P38.1Very low36.7Very low125 Ų125159.4 Ų159.481%0.81284%0.842SS**  trans-86.7153.3-176.734.4-35.1000113
465P42Very low36.8Very low115 Ų115156.2 Ų156.275%0.74784%0.837SS**  trans-105.1173.4-178.939.8-35.9000115.1
466R32.7Very low36.2Very low244 Ų244156.8 Ų156.892%0.92184%0.836SS**  trans106.8142.7158.3-66.4-173.4161.8128.2-0.8119.3
467R36.5Very low35.9Very low240 Ų240153 Ų15391%0.90683%0.828SS**  trans-93.6-168.9178.3-66.2-176175.2-173.70108.3
468P48.4Very low36.3Very low111 Ų111153.5 Ų153.572%0.72183%0.829SS**  cis-151.1-175.214.944.7-22.6000120.2
469T30.5Very low36.3Very low145 Ų145152.4 Ų152.489%0.8983%0.826SS**  trans82.5134.5152.5-51.30000118.5
470G28.8Very low36Very low74 Ų74149.6 Ų149.676%0.76382%0.819SS**  trans130.474.8159.700000117
471T33.4Very low35.7Very low139 Ų139151.9 Ų151.985%0.85382%0.82SS**  trans-91.6172.8153.4560000109.4
472P55.7Low35.6Very low124 Ų124150.3 Ų150.381%0.80581%0.81SS**  cis-123.2-177.3-14.538.5-24000112.5
473R24.1Very low35.5Very low244 Ų244146 Ų14692%0.92180%0.804SS**  162.7148.5127.9-173.4166.6176168.9-1.8112.8
474A33.5Very low35.3Very low83 Ų83139.5 Ų139.569%0.68680%0.796SS**  trans-69.5173.4173.500000112.1
475P39.9Very low35.3Very low110 Ų110139.8 Ų139.871%0.71480%0.798SS**  cis-150.9179.930.345-23.4000119.3
476T28.8Very low34.4Very low133 Ų133139.6 Ų139.682%0.81680%0.799SS**  trans29.9134.9147.755.70000123
477A37.6Very low35Very low91 Ų91133.6 Ų133.675%0.75279%0.792SS**  trans-55.2171157.900000113.8
478P43.8Very low35Very low119 Ų119128.1 Ų128.177%0.77379%0.788SS**  cis-143.4162.519.942.3-22.5000120.3
479C34.7Very low33.9Very low117 Ų117134.4 Ų134.479%0.79180%0.797SS**  trans28.5142.1145.9-144.60000125.2
480T29.6Very low33.6Very low125 Ų125132.1 Ų132.177%0.76779%0.793SS**  trans109.5152.7148.172.80000121
481R26.4Very low33.5Very low240 Ų240139.7 Ų139.791%0.90680%0.798SS**  trans72.3142.7-179.5-68.6-176.6165.1-168.2-4.9116.9
482S34.1Very low33.1Very low91 Ų91144.8 Ų144.864%0.63680%0.802SS**  cis-168147.2-16.544.50000108
483L32.5Very low31.8Very low153 Ų153143.8 Ų143.880%0.80180%0.798SS**  -173.3132.182.3-74.3164000106.4
484S31Very low31.9Very low106 Ų106140.4 Ų140.474%0.74180%0.797SS**  72.913668.2-55.20000114.2
485P36.2Very low31.5Very low132 Ų132142.4 Ų142.486%0.85781%0.806SS**  cis-130.7-173.92743.2-27.3000117.5
486S24.9Very low31Very low110 Ų110140.4 Ų140.477%0.76981%0.806SS**  trans-103.6-170-179.9-17.90000112.4
487P45Very low30.9Very low119 Ų119142.6 Ų142.677%0.77381%0.807SS**  cis-122.6-158.1-18.742.6-24.2000111.1
488P35.6Very low30.4Very low124 Ų124144.8 Ų144.881%0.80581%0.805SS**  -152.4-17070.140.3-17.2000116.8
489R24.8Very low29.8Very low244 Ų244147.4 Ų147.492%0.92181%0.807SS**  trans-138.8152.8175.1-109.9-172.2175.6-1680.4110.7
490A25.4Very low29.6Very low97 Ų97144.8 Ų144.880%0.80280%0.8SS**  trans65.3154.5170.800000115.7
491R25.7Very low29.6Very low233 Ų233143.4 Ų143.488%0.87980%0.801SS**  cis-121.6165.318.4-57.6158.4178.3-111.5-0.1110.2
492R25.6Very low29.8Very low246 Ų246140.7 Ų140.793%0.92880%0.801SS**  cis80.460.712.7-146.2-172.4-159.2-129.45.2119.1
493S27.6Very low29.4Very low103 Ų103146.1 Ų146.172%0.7281%0.807SS**  trans-166.4133.4148.443.60000107.5
494L27.6Very low29.2Very low173 Ų173146.2 Ų146.291%0.90680%0.804SS**  cis66.678.241.2-75.2175.6000115.5
495S25.6Very low29Very low124 Ų124145.6 Ų145.687%0.86781%0.805SS**  trans164.1135.3148.455.30000108.3
496G29Very low28.7Very low69 Ų69144.8 Ų144.871%0.71180%0.797SS**  cis-151.9166.3-13.800000106.2
497Q25.6Very low28.8Very low178 Ų178150.9 Ų150.983%0.83280%0.803SS**  cis51.577.940.5-163.8-175.316.700113.1
498L28.5Very low28.1Very low138 Ų138148.2 Ų148.272%0.72380%0.798SS**  trans-171.8104.7130.2-119.955.5000104.7
499E29.7Very low27.9Very low173 Ų173151.1 Ų151.181%0.80880%0.801SS**  108.1145.968.7-96.6178.3-165.700108.3
500G30.7Very low28.3Very low62 Ų62144.6 Ų144.664%0.63979%0.788SS**  cis159.7-178.7-1.100000111.2
501A30.9Very low28.6Very low96 Ų96144.8 Ų144.879%0.79378%0.779SS**  trans62.7146.7-178.300000114.8
502M28.7Very low29Very low183 Ų183141.1 Ų141.190%0.90177%0.772SS**  cis-145.5152.7-9.8-125.5168.4-17100109.9
503R27Very low29.3Very low205 Ų205138.3 Ų138.377%0.77476%0.761SS**  trans-66.4154.5160.1-80.4172162.8-101.81.1109.5
504E27Very low29.3Very low156 Ų156141.2 Ų141.273%0.72976%0.763SS**  trans47.1120.6142.9-62.5165.488.200116.4
505A26.9Very low29.4Very low93 Ų93137 Ų13777%0.76975%0.754SS**  cis-175.5-15946.900000111.7
506V30Very low29.5Very low115 Ų115135.2 Ų135.270%0.69775%0.746SS**  trans82.495.1162.2-168.40000116.4
507R27.2Very low29.8Very low237 Ų237143.5 Ų143.589%0.89476%0.756SS**  trans47.1135.6135.1-49.8171.5-150.5-97.8-1119.4
508G30.4Very low30.1Very low64 Ų64145.3 Ų145.366%0.6676%0.761SS**  117.796.3116.100000116.8
509E32Very low30.2Very low184 Ų184142.1 Ų142.186%0.8676%0.762SS**  65146.1124.3-84.4-168.2114.400122.8
510V32.3Very low30.5Very low107 Ų107145.4 Ų145.465%0.64877%0.767SS**  trans80.889.2138.9167.50000118.2
511T31.9Very low30.6Very low101 Ų101153.7 Ų153.762%0.6278%0.779SS**  89.9132.9124.559.60000122
512Q34.9Very low30.6Very low157 Ų157157.4 Ų157.473%0.73478%0.78SS**  trans67.2145.4132.5-70174.853.300119.1
513R31.6Very low31.1Very low187 Ų187156 Ų15671%0.70678%0.775SS**  cis173.7158.2-23.1-114.5-171.8-171.2177.7-0.8103.9
514H28.6Very low31.7Very low163 Ų163154.5 Ų154.576%0.75578%0.776SS**  trans69.1158.1165-50.9-55.1000116.7
515A27.8Very low32.2Very low86 Ų86155.8 Ų155.871%0.71178%0.782SS**  cis-167.1161-33.200000111.4
516A27.7Very low33.1Very low85 Ų85158.6 Ų158.670%0.70278%0.783SS**  trans60.1107.5140.900000121.7
517R36.7Very low33.8Very low243 Ų243156.5 Ų156.592%0.91777%0.772SS**  58.2106.5118.1-66.2173163.7173.3-5.4119.6
518K31.8Very low35Very low216 Ų216150.8 Ų150.894%0.93977%0.766SS**  -94.4155.9119.1-67.8177.1-179174.30107.9
519G30.8Very low36.2Very low72 Ų72154.9 Ų154.974%0.74277%0.768SS**  cis-174.2142-8.600000109.2
520R35.6Very low37.3Very low241 Ų241151.4 Ų151.491%0.90975%0.751SS**  trans-60.5138.9-174.8-78.2175.1161.8-170.3-4.9113.4
521R31.9Very low38.5Very low236 Ų236154.4 Ų154.489%0.89176%0.755SS**  trans-151172.1134.7-104.8158.8-162.7-1612109.3
522E31.1Very low39.7Very low175 Ų175155 Ų15582%0.81875%0.751SS**  trans59.271.9173-71158.7-125.700117.4
523L39.3Very low41.4Very low153 Ų153149.3 Ų149.380%0.80173%0.728SS**  trans-73.2122.1131.7-103.874000107.2
524H40Very low43.4Very low173 Ų173146.2 Ų146.280%0.80172%0.722SS**  trans1756.8130.1-96.4-64.2000115.8
525H38.2Very low45.9Very low183 Ų183144.5 Ų144.585%0.84772%0.718SS**  trans-10693.3169-62.5-51.7000111.7
526L44.8Very low48.3Very low152 Ų152144.5 Ų144.580%0.79670%0.703SS**  trans-81.2119.2165-82.9167.5000108.9
527P45Very low51.2Low71 Ų71145.6 Ų145.646%0.46169%0.692SS.*  trans-69.8153.617729.1-34.5000111.3Q529 H530P527-Q529 PolarHBondContact O-N 2.78Å; P527-Q529 VanDerWaalsContact O-N 3.1Å; P527-H530 PolarHBondContact O-N 3.49Å
528P53.3Low53.6Low117 Ų117136.1 Ų136.176%0.7667%0.666SS**THydrogen-bonded Turntrans-56.3-29.8-179.4-26.535.3000114.3H530 K531P528-H530 VanDerWaalsContact C-N 3.26Å; P528-H530 PolarHBondContact O-N 3.06Å; P528-H530 VanDerWaalsContact O-N 3.17Å; P528-K531 PolarHBondContact O-N 3.17Å; P528-K531 VanDerWaalsContact O-N 3.08Å
529Q55.5Low56.5Low150 Ų150133.4 Ų133.470%0.70165%0.651SS**Hα-helixtrans-55.3-31.8-176.2-70.4175.2-21.600114.4P527 K531 H532 S533P527-Q529 PolarHBondContact O-N 2.78Å; P527-Q529 VanDerWaalsContact O-N 3.1Å; Q529-K531 PolarHBondContact O-N 2.97Å; Q529-H532 WeakPolarHBondContact O-CB 3.5Å; Q529-H532 PolarHBondContact O-N 2.93Å; Q529-S533 PolarHBondContact O-N 3.28Å
530H53.8Low59.4Low111 Ų111134.1 Ų134.151%0.51464%0.635SS.*Hα-helixtrans-68-21.6-179-156.5-42.2000112.6P527 P528 Q534P527-H530 PolarHBondContact O-N 3.49Å; P528-H530 VanDerWaalsContact C-N 3.26Å; P528-H530 PolarHBondContact O-N 3.06Å; P528-H530 VanDerWaalsContact O-N 3.17Å; H530-Q534 WeakPolarHBondContact O-CG 3.32Å
531K58.5Low62.1Low170 Ų170128.8 Ų128.874%0.73962%0.62SS**Hα-helixtrans-81.6-35.5170.4-66.1-177.9-179.9178.20111.9P528 Q529 Q534 L535P528-K531 PolarHBondContact O-N 3.17Å; P528-K531 VanDerWaalsContact O-N 3.08Å; Q529-K531 PolarHBondContact O-N 2.97Å; K531-Q534 PolarHBondContact O-N 2.86Å; K531-L535 PolarHBondContact O-N 3.17Å
532H57.3Low65Low113 Ų113123.4 Ų123.452%0.52361%0.605SS.*Hα-helixtrans-59.6-55172.8-164.2-83.7000110.4Q529 Q534 L535 E536Q529-H532 WeakPolarHBondContact O-CB 3.5Å; Q529-H532 PolarHBondContact O-N 2.93Å; H532-Q534 PolarHBondContact O-N 3.01Å; H532-L535 WeakPolarHBondContact O-CB 3.48Å; H532-L535 PolarHBondContact O-N 3.41Å; H532-E536 IonicContact CE1-OE1 2.63Å; H532-E536 PolarHBondContact CE1-OE1 2.93Å; H532-E536 VanDerWaalsContact CE1-OE1 3.3Å; H532-E536 IonicContact CE1-OE2 3.05Å; H532-E536 VanDerWaalsContact ND1-CD 3.31Å; H532-E536 IonicContact ND1-OE1 2.69Å; H532-E536 PolarHBondContact ND1-OE1 3.48Å; H532-E536 IonicContact ND1-OE2 2.63Å; H532-E536 PolarHBondContact ND1-OE2 3.04Å; H532-E536 WeakPolarHBondContact O-CB 3.31Å; H532-E536 PolarHBondContact O-N 3.46Å
533S69.5Low67.8Low38 Ų38119.2 Ų119.227%0.26659%0.588SS.*Hα-helixtrans-62.5-18.3-177.8-161.90000114.5Q529 E536 K537Q529-S533 PolarHBondContact O-N 3.28Å; S533-E536 WeakPolarHBondContact CA-OE2 3.48Å; S533-K537 WeakPolarHBondContact O-CB 3.23Å; S533-K537 VanDerWaalsContact O-CD 3.29Å; S533-K537 WeakPolarHBondContact O-CD 3.35Å; S533-K537 WeakPolarHBondContact O-CG 3.48Å; S533-K537 PolarHBondContact O-N 3.47Å; S533-K537 PolarHBondContact OG-NZ 3.32Å
534Q75.1Confident70.4Confident122 Ų122117 Ų11757%0.5757%0.571SS**Hα-helixtrans-83-39.3170.7-76.5177.5-8.400112.5H530 K531 H532 A538H530-Q534 WeakPolarHBondContact O-CG 3.32Å; K531-Q534 PolarHBondContact O-N 2.86Å; H532-Q534 PolarHBondContact O-N 3.01Å; Q534-A538 WeakPolarHBondContact O-CB 3.46Å; Q534-A538 PolarHBondContact O-N 2.8Å; Q534-A538 VanDerWaalsContact O-N 3.08Å
535L79.4Confident73Confident127 Ų127113.2 Ų113.267%0.66556%0.561SS**Hα-helixtrans-69.4-39.4175.8-17664.5000111.7K531 H532 A538 Y539K531-L535 PolarHBondContact O-N 3.17Å; H532-L535 WeakPolarHBondContact O-CB 3.48Å; H532-L535 PolarHBondContact O-N 3.41Å; L535-A538 PolarHBondContact O-N 3.49Å; L535-Y539 WeakPolarHBondContact O-CB 3.29Å; L535-Y539 PolarHBondContact O-N 3Å
536E78.8Confident75.7Confident86 Ų86111.4 Ų111.440%0.40255%0.547SS..Hα-helixtrans-63-47.8176.5-173.1161.9-134.200111.3H532 S533 A538 Y539 E540H532-E536 IonicContact CE1-OE1 2.63Å; H532-E536 PolarHBondContact CE1-OE1 2.93Å; H532-E536 VanDerWaalsContact CE1-OE1 3.3Å; H532-E536 IonicContact CE1-OE2 3.05Å; H532-E536 VanDerWaalsContact ND1-CD 3.31Å; H532-E536 IonicContact ND1-OE1 2.69Å; H532-E536 PolarHBondContact ND1-OE1 3.48Å; H532-E536 IonicContact ND1-OE2 2.63Å; H532-E536 PolarHBondContact ND1-OE2 3.04Å; H532-E536 WeakPolarHBondContact O-CB 3.31Å; H532-E536 PolarHBondContact O-N 3.46Å; S533-E536 WeakPolarHBondContact CA-OE2 3.48Å; E536-A538 PolarHBondContact O-N 3.41Å; E536-Y539 WeakPolarHBondContact O-CB 3.29Å; E536-Y539 PolarHBondContact O-N 3.03Å; E536-Y539 VanDerWaalsContact O-N 3.16Å; E536-E540 PolarHBondContact O-N 3.2Å
537K88.6Confident77.8Confident108 Ų108108.6 Ų108.647%0.4753%0.53SS..Hα-helixtrans-63.8-38.6172.4-74.9172.8-178.3121.10113S533 Y539 E540 E541S533-K537 WeakPolarHBondContact O-CB 3.23Å; S533-K537 VanDerWaalsContact O-CD 3.29Å; S533-K537 WeakPolarHBondContact O-CD 3.35Å; S533-K537 WeakPolarHBondContact O-CG 3.48Å; S533-K537 PolarHBondContact O-N 3.47Å; S533-K537 PolarHBondContact OG-NZ 3.32Å; K537-Y539 VanDerWaalsContact C-N 3.3Å; K537-Y539 PolarHBondContact O-N 2.91Å; K537-E540 PolarHBondContact O-N 3.08Å; K537-E541 WeakPolarHBondContact O-CB 3.23Å; K537-E541 VanDerWaalsContact O-CG 3.31Å; K537-E541 WeakPolarHBondContact O-CG 3.42Å; K537-E541 PolarHBondContact O-N 3.35Å
538A88Confident80.1Confident44 Ų44109.5 Ų109.536%0.36453%0.531SS..Hα-helixtrans-63-38.1173.400000111.9Q534 L535 E536 E541 E542Q534-A538 WeakPolarHBondContact O-CB 3.46Å; Q534-A538 PolarHBondContact O-N 2.8Å; Q534-A538 VanDerWaalsContact O-N 3.08Å; L535-A538 PolarHBondContact O-N 3.49Å; E536-A538 PolarHBondContact O-N 3.41Å; A538-E541 PolarHBondContact O-N 3.15Å; A538-E542 PolarHBondContact O-N 3.12Å
539Y92.1Very high82.1Confident160 Ų160112.1 Ų112.163%0.62753%0.526SS*.Hα-helixtrans-69.4-40.9175.7-173.6-104.1000112.6L535 E536 K537 E541 E542 L543L535-Y539 WeakPolarHBondContact O-CB 3.29Å; L535-Y539 PolarHBondContact O-N 3Å; E536-Y539 WeakPolarHBondContact O-CB 3.29Å; E536-Y539 PolarHBondContact O-N 3.03Å; E536-Y539 VanDerWaalsContact O-N 3.16Å; K537-Y539 VanDerWaalsContact C-N 3.3Å; K537-Y539 PolarHBondContact O-N 2.91Å; Y539-E541 VanDerWaalsContact C-N 3.35Å; Y539-E542 PolarHBondContact O-N 3.5Å; Y539-L543 WeakPolarHBondContact O-CB 3.36Å; Y539-L543 PolarHBondContact O-N 2.99Å
540E91.1Very high83.8Confident86 Ų86110.7 Ų110.740%0.40252%0.519SS..Hα-helixtrans-60.6-41.7170.5-75.8-177.8-135.100112.6E536 K537 L543 K544E536-E540 PolarHBondContact O-N 3.2Å; K537-E540 PolarHBondContact O-N 3.08Å; E540-L543 PolarHBondContact O-N 2.77Å; E540-K544 WeakPolarHBondContact O-CB 3.34Å; E540-K544 WeakPolarHBondContact O-CD 3.31Å; E540-K544 VanDerWaalsContact O-CG 3.26Å; E540-K544 WeakPolarHBondContact O-CG 3.38Å; E540-K544 PolarHBondContact O-N 3.02Å; E540-K544 IonicContact OE2-NZ 3.97Å; E540-K544 PolarHBondContact OE2-NZ 3.41Å
541E92.6Very high85.7Confident130 Ų130111.6 Ų111.661%0.60752%0.518SS*.Hα-helixtrans-66.5-42.9178-76.9175.3-165.700111.1K537 A538 Y539 K544 V545K537-E541 WeakPolarHBondContact O-CB 3.23Å; K537-E541 VanDerWaalsContact O-CG 3.31Å; K537-E541 WeakPolarHBondContact O-CG 3.42Å; K537-E541 PolarHBondContact O-N 3.35Å; A538-E541 PolarHBondContact O-N 3.15Å; Y539-E541 VanDerWaalsContact C-N 3.35Å; E541-K544 PolarHBondContact O-N 3.24Å; E541-V545 WeakPolarHBondContact O-CB 3.24Å; E541-V545 VanDerWaalsContact O-CG2 3.3Å; E541-V545 WeakPolarHBondContact O-CG2 3.43Å; E541-V545 PolarHBondContact O-N 2.91Å
542E92.3Very high87.5Confident122 Ų122105.3 Ų105.357%0.5750%0.498SS*.Hα-helixtrans-60.1-46.2171.1-76.5-171.5-178.900111.6A538 Y539 K544 V545 Y546A538-E542 PolarHBondContact O-N 3.12Å; Y539-E542 PolarHBondContact O-N 3.5Å; E542-K544 PolarHBondContact O-N 2.99Å; E542-V545 WeakPolarHBondContact O-CB 3.37Å; E542-V545 PolarHBondContact O-N 3.29Å; E542-V545 VanDerWaalsContact O-N 3.16Å; E542-Y546 WeakPolarHBondContact O-CD2 3.49Å; E542-Y546 PolarHBondContact O-N 3.16Å
543L90.3Very high89.3Confident87 Ų87101.8 Ų101.846%0.45549%0.488SS..Hα-helixtrans-60.6-45.1178.2-175.662.5000111.8Y539 E540 V545 Y546 E547Y539-L543 WeakPolarHBondContact O-CB 3.36Å; Y539-L543 PolarHBondContact O-N 2.99Å; E540-L543 PolarHBondContact O-N 2.77Å; L543-V545 VanDerWaalsContact C-N 3.33Å; L543-V545 PolarHBondContact O-N 2.9Å; L543-Y546 PolarHBondContact O-N 3Å; L543-Y546 VanDerWaalsContact O-N 3.16Å; L543-E547 PolarHBondContact O-N 3.12Å
544K94.6Very high90.1Very high106 Ų106104.7 Ų104.746%0.46150%0.499SS..Hα-helixtrans-60.5-40.1174.1-75.4160.7-176.9154.30111.5E540 E541 E542 E547 D548E540-K544 WeakPolarHBondContact O-CB 3.34Å; E540-K544 WeakPolarHBondContact O-CD 3.31Å; E540-K544 VanDerWaalsContact O-CG 3.26Å; E540-K544 WeakPolarHBondContact O-CG 3.38Å; E540-K544 PolarHBondContact O-N 3.02Å; E540-K544 IonicContact OE2-NZ 3.97Å; E540-K544 PolarHBondContact OE2-NZ 3.41Å; E541-K544 PolarHBondContact O-N 3.24Å; E542-K544 PolarHBondContact O-N 2.99Å; K544-E547 PolarHBondContact O-N 3.2Å; K544-D548 VanDerWaalsContact O-CB 3.31Å; K544-D548 WeakPolarHBondContact O-CB 3.49Å; K544-D548 VanDerWaalsContact O-CG 3.3Å; K544-D548 PolarHBondContact O-N 3.19Å
545V95.3Very high91Very high95 Ų95101.2 Ų101.258%0.57649%0.491SS*.Hα-helixtrans-65.5-36.6174.6167.40000112.3E541 E542 L543 R549E541-V545 WeakPolarHBondContact O-CB 3.24Å; E541-V545 VanDerWaalsContact O-CG2 3.3Å; E541-V545 WeakPolarHBondContact O-CG2 3.43Å; E541-V545 PolarHBondContact O-N 2.91Å; E542-V545 WeakPolarHBondContact O-CB 3.37Å; E542-V545 PolarHBondContact O-N 3.29Å; E542-V545 VanDerWaalsContact O-N 3.16Å; L543-V545 VanDerWaalsContact C-N 3.33Å; L543-V545 PolarHBondContact O-N 2.9Å; V545-R549 WeakPolarHBondContact O-CB 3.26Å; V545-R549 PolarHBondContact O-N 2.93Å
546Y93.3Very high91.7Very high144 Ų144101.4 Ų101.457%0.56549%0.486SS*.Hα-helixtrans-66.7-46.2172.3-81.5-71.4000111.9E542 L543 R549 E550E542-Y546 WeakPolarHBondContact O-CD2 3.49Å; E542-Y546 PolarHBondContact O-N 3.16Å; L543-Y546 PolarHBondContact O-N 3Å; L543-Y546 VanDerWaalsContact O-N 3.16Å; Y546-R549 WeakPolarHBondContact O-CB 3.39Å; Y546-R549 PolarHBondContact O-N 2.75Å; Y546-E550 PolarHBondContact O-N 2.81Å
547E90.4Very high92.4Very high94 Ų94103 Ų10344%0.43949%0.493SS..Hα-helixtrans-64.2-42.7176.4-70.1-170.3-167.700112.9L543 K544 R549 E550 R551L543-E547 PolarHBondContact O-N 3.12Å; K544-E547 PolarHBondContact O-N 3.2Å; E547-R549 PolarHBondContact O-N 3.43Å; E547-E550 PolarHBondContact O-N 3.1Å; E547-R551 VanDerWaalsContact O-CB 3.27Å; E547-R551 WeakPolarHBondContact O-CB 3.35Å; E547-R551 VanDerWaalsContact O-CG 3.26Å; E547-R551 WeakPolarHBondContact O-CG 3.43Å; E547-R551 PolarHBondContact O-N 3.27Å; E547-R551 IonicContact OE2-CZ 2.69Å; E547-R551 IonicContact OE2-NE 2.75Å; E547-R551 IonicContact OE2-NH2 3.85Å; E547-R551 PolarHBondContact OE2-NH2 3.42Å
548D93.6Very high92.6Very high89 Ų89106.1 Ų106.148%0.47650%0.502SS..Hα-helixtrans-59.4-39.1175.2-80.5-7000110.9K544 R551 A552K544-D548 VanDerWaalsContact O-CB 3.31Å; K544-D548 WeakPolarHBondContact O-CB 3.49Å; K544-D548 VanDerWaalsContact O-CG 3.3Å; K544-D548 PolarHBondContact O-N 3.19Å; D548-R551 IonicContact OD1-CZ 2.62Å; D548-R551 IonicContact OD1-NH1 2.68Å; D548-R551 PolarHBondContact OD1-NH1 2.99Å; D548-R551 IonicContact OD1-NH2 3.53Å; D548-A552 WeakPolarHBondContact O-CB 3.41Å; D548-A552 PolarHBondContact O-N 2.8Å
549R94.4Very high92.8Very high173 Ų173107.3 Ų107.365%0.65351%0.505SS*.Hα-helixtrans-67.1-43176.7-179.7176.5-178.9157.7-0.5112.3V545 Y546 E547 A552 A553V545-R549 WeakPolarHBondContact O-CB 3.26Å; V545-R549 PolarHBondContact O-N 2.93Å; Y546-R549 WeakPolarHBondContact O-CB 3.39Å; Y546-R549 PolarHBondContact O-N 2.75Å; E547-R549 PolarHBondContact O-N 3.43Å; R549-A552 PolarHBondContact O-N 3.24Å; R549-A553 WeakPolarHBondContact O-CB 3.24Å; R549-A553 PolarHBondContact O-N 3.5Å
550E91.4Very high93Very high119 Ų119107.4 Ų107.456%0.55651%0.505SS*.Hα-helixtrans-68.6-44.5175-71.7-57110.600111.6Y546 E547 A552 A553 M554Y546-E550 PolarHBondContact O-N 2.81Å; E547-E550 PolarHBondContact O-N 3.1Å; E550-A552 VanDerWaalsContact C-N 3.26Å; E550-A552 PolarHBondContact O-N 3.49Å; E550-A553 WeakPolarHBondContact O-CB 3.43Å; E550-A553 PolarHBondContact O-N 3.5Å; E550-M554 WeakPolarHBondContact O-CB 3.39Å; E550-M554 WeakPolarHBondContact O-CG 3.49Å; E550-M554 PolarHBondContact O-N 3.37Å
551R94.3Very high93Very high131 Ų131106.1 Ų106.149%0.49451%0.509SS..Hα-helixtrans-60.3-36.9174.1-70.8-172.4-104.3104.1-7.1111E547 D548 A555E547-R551 VanDerWaalsContact O-CB 3.27Å; E547-R551 WeakPolarHBondContact O-CB 3.35Å; E547-R551 VanDerWaalsContact O-CG 3.26Å; E547-R551 WeakPolarHBondContact O-CG 3.43Å; E547-R551 PolarHBondContact O-N 3.27Å; E547-R551 IonicContact OE2-CZ 2.69Å; E547-R551 IonicContact OE2-NE 2.75Å; E547-R551 IonicContact OE2-NH2 3.85Å; E547-R551 PolarHBondContact OE2-NH2 3.42Å; D548-R551 IonicContact OD1-CZ 2.62Å; D548-R551 IonicContact OD1-NH1 2.68Å; D548-R551 PolarHBondContact OD1-NH1 2.99Å; D548-R551 IonicContact OD1-NH2 3.53Å; R551-A555 WeakPolarHBondContact O-CB 3.24Å; R551-A555 PolarHBondContact O-N 3.36Å
552A94.8Very high92.9Very high38 Ų38104.7 Ų104.731%0.31450%0.502SS..Hα-helixtrans-73.7-29.6172.700000114.1D548 R549 E550 K556D548-A552 WeakPolarHBondContact O-CB 3.41Å; D548-A552 PolarHBondContact O-N 2.8Å; R549-A552 PolarHBondContact O-N 3.24Å; E550-A552 VanDerWaalsContact C-N 3.26Å; E550-A552 PolarHBondContact O-N 3.49Å; A552-K556 WeakPolarHBondContact O-CD 3.41Å; A552-K556 VanDerWaalsContact O-CG 3.25Å; A552-K556 WeakPolarHBondContact O-CG 3.41Å; A552-K556 PolarHBondContact O-N 2.97Å; A552-K556 VanDerWaalsContact O-N 3.14Å
553A95.4Very high93Very high38 Ų38104.3 Ų104.331%0.31450%0.5SS..Hα-helixtrans-68.2-51.5171.600000110.3R549 E550 A555 K556 E557R549-A553 WeakPolarHBondContact O-CB 3.24Å; R549-A553 PolarHBondContact O-N 3.5Å; E550-A553 WeakPolarHBondContact O-CB 3.43Å; E550-A553 PolarHBondContact O-N 3.5Å; A553-A555 VanDerWaalsContact C-N 3.25Å; A553-A555 PolarHBondContact O-N 3.33Å; A553-K556 WeakPolarHBondContact O-CA 3.35Å; A553-K556 WeakPolarHBondContact O-CB 3.39Å; A553-K556 PolarHBondContact O-N 3.25Å; A553-E557 PolarHBondContact O-N 3.04Å
554M86.2Confident93Very high100 Ų100102.7 Ų102.749%0.49350%0.5SS..Hα-helixtrans-58.2-35.4174.7-66.9-63.3-74.100112.3E550 E557 R558E550-M554 WeakPolarHBondContact O-CB 3.39Å; E550-M554 WeakPolarHBondContact O-CG 3.49Å; E550-M554 PolarHBondContact O-N 3.37Å; M554-E557 PolarHBondContact O-N 3.19Å; M554-R558 WeakPolarHBondContact O-CB 3.26Å; M554-R558 VanDerWaalsContact O-CG 3.25Å; M554-R558 WeakPolarHBondContact O-CG 3.39Å; M554-R558 PolarHBondContact O-N 2.59Å
555A94.4Very high92.8Very high49 Ų49102.1 Ų102.141%0.40550%0.499SS..Hα-helixtrans-64.6-4417200000112.5R551 A553 E557 R558 T559R551-A555 WeakPolarHBondContact O-CB 3.24Å; R551-A555 PolarHBondContact O-N 3.36Å; A553-A555 VanDerWaalsContact C-N 3.25Å; A553-A555 PolarHBondContact O-N 3.33Å; A555-E557 VanDerWaalsContact C-N 3.33Å; A555-E557 PolarHBondContact O-N 2.95Å; A555-R558 PolarHBondContact O-N 3.37Å; A555-T559 PolarHBondContact O-N 2.79Å
556K94.7Very high92.6Very high130 Ų130104.7 Ų104.757%0.56550%0.498SS*.Hα-helixtrans-67.1-31.7176.4-70.6162-172.8167.60112.7A552 A553 T559 R560A552-K556 WeakPolarHBondContact O-CD 3.41Å; A552-K556 VanDerWaalsContact O-CG 3.25Å; A552-K556 WeakPolarHBondContact O-CG 3.41Å; A552-K556 PolarHBondContact O-N 2.97Å; A552-K556 VanDerWaalsContact O-N 3.14Å; A553-K556 WeakPolarHBondContact O-CA 3.35Å; A553-K556 WeakPolarHBondContact O-CB 3.39Å; A553-K556 PolarHBondContact O-N 3.25Å; K556-T559 PolarHBondContact O-OG1 2.98Å; K556-R560 WeakPolarHBondContact O-CB 3.47Å; K556-R560 WeakPolarHBondContact O-CD 3.38Å; K556-R560 VanDerWaalsContact O-CG 3.24Å; K556-R560 WeakPolarHBondContact O-CG 3.5Å; K556-R560 PolarHBondContact O-N 3.43Å; K556-R560 VanDerWaalsContact O-N 3.08Å
557E92.4Very high92.5Very high119 Ų119104.7 Ų104.756%0.55650%0.503SS*.Hα-helixtrans-73.5-38.1172.4-65-157.8152.200111.8A553 M554 A555 T559 R560 A561A553-E557 PolarHBondContact O-N 3.04Å; M554-E557 PolarHBondContact O-N 3.19Å; A555-E557 VanDerWaalsContact C-N 3.33Å; A555-E557 PolarHBondContact O-N 2.95Å; E557-T559 PolarHBondContact O-N 2.94Å; E557-R560 PolarHBondContact O-N 3.32Å; E557-A561 VanDerWaalsContact O-CB 3.3Å; E557-A561 WeakPolarHBondContact O-CB 3.3Å; E557-A561 PolarHBondContact O-N 3.43Å
558R93.2Very high92.4Very high174 Ų174108 Ų10866%0.65751%0.513SS*.Hα-helixtrans-61.1-41.4171-75.5170.6179.6-175.50.7112.5M554 A555 A561 Q562M554-R558 WeakPolarHBondContact O-CB 3.26Å; M554-R558 VanDerWaalsContact O-CG 3.25Å; M554-R558 WeakPolarHBondContact O-CG 3.39Å; M554-R558 PolarHBondContact O-N 2.59Å; A555-R558 PolarHBondContact O-N 3.37Å; R558-A561 PolarHBondContact O-N 2.87Å; R558-Q562 WeakPolarHBondContact O-CG 3.37Å; R558-Q562 PolarHBondContact O-N 3.24Å
559T93.2Very high92.2Very high70 Ų70109.8 Ų109.843%0.42951%0.513SS..Hα-helixtrans-66.9-44.5175.457.90000111.4A555 K556 E557 A561 Q562 E563A555-T559 PolarHBondContact O-N 2.79Å; K556-T559 PolarHBondContact O-OG1 2.98Å; E557-T559 PolarHBondContact O-N 2.94Å; T559-A561 VanDerWaalsContact C-N 3.32Å; T559-A561 PolarHBondContact O-N 3.08Å; T559-Q562 CarbonylContact O-C 3.55Å; T559-Q562 PolarHBondContact O-N 2.75Å; T559-E563 WeakPolarHBondContact O-CB 3.36Å; T559-E563 VanDerWaalsContact O-CG 3.29Å; T559-E563 WeakPolarHBondContact O-CG 3.42Å; T559-E563 PolarHBondContact O-N 3.13Å
560R95.1Very high91.9Very high161 Ų161106.9 Ų106.961%0.60851%0.507SS*.Hα-helixtrans-59.5-39.5174.4-75.7169.2174.8175.1-2.4113K556 E557 E563 A564K556-R560 WeakPolarHBondContact O-CB 3.47Å; K556-R560 WeakPolarHBondContact O-CD 3.38Å; K556-R560 VanDerWaalsContact O-CG 3.24Å; K556-R560 WeakPolarHBondContact O-CG 3.5Å; K556-R560 PolarHBondContact O-N 3.43Å; K556-R560 VanDerWaalsContact O-N 3.08Å; E557-R560 PolarHBondContact O-N 3.32Å; R560-E563 PolarHBondContact O-N 3.02Å; R560-A564 WeakPolarHBondContact O-CB 3.41Å; R560-A564 PolarHBondContact O-N 3.37Å
561A90.8Very high91.6Very high60 Ų60103.1 Ų103.150%0.49650%0.496SS..Hα-helixtrans-65.8-41.6175.900000111.4E557 R558 T559 E565E557-A561 VanDerWaalsContact O-CB 3.3Å; E557-A561 WeakPolarHBondContact O-CB 3.3Å; E557-A561 PolarHBondContact O-N 3.43Å; R558-A561 PolarHBondContact O-N 2.87Å; T559-A561 VanDerWaalsContact C-N 3.32Å; T559-A561 PolarHBondContact O-N 3.08Å; A561-E565 VanDerWaalsContact O-CB 3.29Å; A561-E565 WeakPolarHBondContact O-CB 3.25Å; A561-E565 PolarHBondContact O-N 3.29Å
562Q91.3Very high90.9Very high99 Ų99100.7 Ų100.746%0.46349%0.492SS..Hα-helixtrans-67.4-35.2173.1-71.5-178.814.200112.8R558 T559 E565 R566R558-Q562 WeakPolarHBondContact O-CG 3.37Å; R558-Q562 PolarHBondContact O-N 3.24Å; T559-Q562 CarbonylContact O-C 3.55Å; T559-Q562 PolarHBondContact O-N 2.75Å; Q562-E565 PolarHBondContact O-N 3.48Å; Q562-R566 WeakPolarHBondContact O-CB 3.49Å; Q562-R566 WeakPolarHBondContact O-CD 3.47Å; Q562-R566 WeakPolarHBondContact O-CG 3.31Å; Q562-R566 PolarHBondContact O-N 3.06Å
563E93.8Very high90Very high114 Ų114105.1 Ų105.153%0.53351%0.51SS..Hα-helixtrans-65.3-47.8174.3-74.6162.7175.200110.7T559 R560 E565 R566 E567T559-E563 WeakPolarHBondContact O-CB 3.36Å; T559-E563 VanDerWaalsContact O-CG 3.29Å; T559-E563 WeakPolarHBondContact O-CG 3.42Å; T559-E563 PolarHBondContact O-N 3.13Å; R560-E563 PolarHBondContact O-N 3.02Å; E563-E565 VanDerWaalsContact C-N 3.34Å; E563-E565 PolarHBondContact O-N 2.89Å; E563-R566 WeakPolarHBondContact O-CB 3.44Å; E563-R566 PolarHBondContact O-N 3.17Å; E563-E567 WeakPolarHBondContact O-CB 3.32Å; E563-E567 PolarHBondContact O-N 2.62Å
564A91.1Very high88.7Confident54 Ų54112.6 Ų112.645%0.44653%0.53SS..Hα-helixtrans-63.9-35.7174.400000112.8R560 E567 Y568R560-A564 WeakPolarHBondContact O-CB 3.41Å; R560-A564 PolarHBondContact O-N 3.37Å; A564-E567 PolarHBondContact O-N 3.29Å; A564-Y568 VanDerWaalsContact O-CB 3.26Å; A564-Y568 WeakPolarHBondContact O-CB 3.34Å; A564-Y568 PolarHBondContact O-N 3.31Å
565E89.6Confident87.4Confident93 Ų93114.3 Ų114.344%0.43554%0.541SS..Hα-helixtrans-69.3-35.9174.6-162.5-159.9-161.600111.8A561 Q562 E563 R569A561-E565 VanDerWaalsContact O-CB 3.29Å; A561-E565 WeakPolarHBondContact O-CB 3.25Å; A561-E565 PolarHBondContact O-N 3.29Å; Q562-E565 PolarHBondContact O-N 3.48Å; E563-E565 VanDerWaalsContact C-N 3.34Å; E563-E565 PolarHBondContact O-N 2.89Å; E565-R569 WeakPolarHBondContact O-CB 3.22Å; E565-R569 WeakPolarHBondContact O-CG 3.45Å; E565-R569 PolarHBondContact O-N 3.19Å; E565-R569 IonicContact OE1-CZ 2.68Å; E565-R569 IonicContact OE1-NH1 3.73Å; E565-R569 PolarHBondContact OE1-NH1 3.07Å; E565-R569 IonicContact OE1-NH2 3.44Å; E565-R569 PolarHBondContact OE1-NH2 3.05Å; E565-R569 IonicContact OE2-CZ 2.87Å; E565-R569 IonicContact OE2-NH1 3.62Å; E565-R569 PolarHBondContact OE2-NH1 3.38Å; E565-R569 IonicContact OE2-NH2 3.59Å; E565-R569 PolarHBondContact OE2-NH2 3.45Å
566R91.1Very high85.5Confident149 Ų149116.1 Ų116.156%0.56255%0.547SS*.Hα-helixtrans-67.4-46.1171.4-72.3166.2-166.5-170.47.6111.2Q562 E563 Y568 R569 E570Q562-R566 WeakPolarHBondContact O-CB 3.49Å; Q562-R566 WeakPolarHBondContact O-CD 3.47Å; Q562-R566 WeakPolarHBondContact O-CG 3.31Å; Q562-R566 PolarHBondContact O-N 3.06Å; E563-R566 WeakPolarHBondContact O-CB 3.44Å; E563-R566 PolarHBondContact O-N 3.17Å; R566-Y568 VanDerWaalsContact C-N 3.32Å; R566-Y568 PolarHBondContact O-N 3.32Å; R566-R569 PolarHBondContact O-N 3.37Å; R566-E570 PolarHBondContact O-N 2.82Å
567E91.9Very high83.5Confident145 Ų145115 Ų11568%0.67855%0.553SS**Hα-helixtrans-60.3-41.4176.2-173.9174.4-158.200111.2E563 A564 E570 A571E563-E567 WeakPolarHBondContact O-CB 3.32Å; E563-E567 PolarHBondContact O-N 2.62Å; A564-E567 PolarHBondContact O-N 3.29Å; E567-E570 PolarHBondContact O-N 3.45Å; E567-A571 WeakPolarHBondContact O-CB 3.45Å; E567-A571 PolarHBondContact O-N 3.09Å
568Y87.6Confident81.5Confident162 Ų162120.8 Ų120.864%0.63557%0.57SS**Hα-helixtrans-65.4-41.2174.2-176.9-112.8000112.7A564 R566 A571 I572A564-Y568 VanDerWaalsContact O-CB 3.26Å; A564-Y568 WeakPolarHBondContact O-CB 3.34Å; A564-Y568 PolarHBondContact O-N 3.31Å; R566-Y568 VanDerWaalsContact C-N 3.32Å; R566-Y568 PolarHBondContact O-N 3.32Å; Y568-A571 PolarHBondContact O-N 3.26Å; Y568-I572 HydrophobicContact CD1-CD1 3.95Å; Y568-I572 HydrophobicContact CE1-CD1 3.52Å; Y568-I572 HydrophobicContact CE2-CD1 4.31Å; Y568-I572 WeakPolarHBondContact O-CG1 3.43Å; Y568-I572 PolarHBondContact O-N 2.96Å
569R89.9Confident79.3Confident127 Ų127118.7 Ų118.748%0.47958%0.576SS.*Hα-helixtrans-62.9-42.2171.9-76.7-178.7-177.3110.36.6111.8E565 R566 I572 L573E565-R569 WeakPolarHBondContact O-CB 3.22Å; E565-R569 WeakPolarHBondContact O-CG 3.45Å; E565-R569 PolarHBondContact O-N 3.19Å; E565-R569 IonicContact OE1-CZ 2.68Å; E565-R569 IonicContact OE1-NH1 3.73Å; E565-R569 PolarHBondContact OE1-NH1 3.07Å; E565-R569 IonicContact OE1-NH2 3.44Å; E565-R569 PolarHBondContact OE1-NH2 3.05Å; E565-R569 IonicContact OE2-CZ 2.87Å; E565-R569 IonicContact OE2-NH1 3.62Å; E565-R569 PolarHBondContact OE2-NH1 3.38Å; E565-R569 IonicContact OE2-NH2 3.59Å; E565-R569 PolarHBondContact OE2-NH2 3.45Å; R566-R569 PolarHBondContact O-N 3.37Å; R569-I572 PolarHBondContact O-N 3.41Å; R569-L573 VanDerWaalsContact O-CG 3.27Å; R569-L573 WeakPolarHBondContact O-CG 3.41Å; R569-L573 PolarHBondContact O-N 2.86Å
570E86.8Confident76.9Confident113 Ų113121.1 Ų121.153%0.52859%0.593SS.*Hα-helixtrans-67.1-40.8176.2-76.4-160.8-146.700111.8R566 E567 I572 L573 R574R566-E570 PolarHBondContact O-N 2.82Å; E567-E570 PolarHBondContact O-N 3.45Å; E570-I572 PolarHBondContact O-N 3.5Å; E570-L573 CarbonylContact O-C 3.55Å; E570-L573 WeakPolarHBondContact O-CA 3.46Å; E570-L573 PolarHBondContact O-N 3.32Å; E570-R574 VanDerWaalsContact O-CG 3.23Å; E570-R574 WeakPolarHBondContact O-CG 3.21Å; E570-R574 PolarHBondContact O-N 3.37Å
571A85.3Confident74.3Confident40 Ų40122.4 Ų122.433%0.33160%0.603SS.*Hα-helixtrans-57.6-48173.600000111.3E567 Y568 L573 R574 D575E567-A571 WeakPolarHBondContact O-CB 3.45Å; E567-A571 PolarHBondContact O-N 3.09Å; Y568-A571 PolarHBondContact O-N 3.26Å; A571-L573 VanDerWaalsContact C-N 3.29Å; A571-L573 PolarHBondContact O-N 3.48Å; A571-R574 PolarHBondContact O-N 3.22Å; A571-D575 WeakPolarHBondContact O-CB 3.49Å; A571-D575 PolarHBondContact O-N 2.98Å
572I79.5Confident72.2Confident80 Ų80126 Ų12641%0.4162%0.621SS.*Hα-helixtrans-56.7-43172.8-69.6167000111.2Y568 R569 E570 R574 D575 V576Y568-I572 HydrophobicContact CD1-CD1 3.95Å; Y568-I572 HydrophobicContact CE1-CD1 3.52Å; Y568-I572 HydrophobicContact CE2-CD1 4.31Å; Y568-I572 WeakPolarHBondContact O-CG1 3.43Å; Y568-I572 PolarHBondContact O-N 2.96Å; R569-I572 PolarHBondContact O-N 3.41Å; E570-I572 PolarHBondContact O-N 3.5Å; I572-R574 VanDerWaalsContact C-N 3.27Å; I572-R574 PolarHBondContact O-N 2.95Å; I572-D575 PolarHBondContact O-N 3.19Å; I572-V576 WeakPolarHBondContact O-CG2 3.44Å; I572-V576 PolarHBondContact O-N 3.42Å
573L76.1Confident69.2Low131 Ų131126 Ų12669%0.68663%0.633SS**Hα-helixtrans-71.4-17.1178-69.7167.8000114.1R569 E570 A571R569-L573 VanDerWaalsContact O-CG 3.27Å; R569-L573 WeakPolarHBondContact O-CG 3.41Å; R569-L573 PolarHBondContact O-N 2.86Å; E570-L573 CarbonylContact O-C 3.55Å; E570-L573 WeakPolarHBondContact O-CA 3.46Å; E570-L573 PolarHBondContact O-N 3.32Å; A571-L573 VanDerWaalsContact C-N 3.29Å; A571-L573 PolarHBondContact O-N 3.48Å
574R68.4Low67Low194 Ų194129.8 Ų129.873%0.73265%0.65SS**Hα-helixtrans-88.2-36.3172.1-65.1-70.8172.6161.60.9112.1E570 A571 I572E570-R574 VanDerWaalsContact O-CG 3.23Å; E570-R574 WeakPolarHBondContact O-CG 3.21Å; E570-R574 PolarHBondContact O-N 3.37Å; A571-R574 PolarHBondContact O-N 3.22Å; I572-R574 VanDerWaalsContact C-N 3.27Å; I572-R574 PolarHBondContact O-N 2.95Å
575D60Low64.1Low137 Ų137133.3 Ų133.373%0.73367%0.666SS**Hα-helixtrans-80.5-15179.5-71.7-17.3000113.2A571 I572 P577A571-D575 WeakPolarHBondContact O-CB 3.49Å; A571-D575 PolarHBondContact O-N 2.98Å; I572-D575 PolarHBondContact O-N 3.19Å; D575-P577 VanDerWaalsContact O-CD 3.3Å; D575-P577 WeakPolarHBondContact O-CD 3.42Å
576V54.8Low61.6Low86 Ų86138.8 Ų138.852%0.52168%0.684SS.*SBendtrans-63.3116.2163166.30000109I572 R578I572-V576 WeakPolarHBondContact O-CG2 3.44Å; I572-V576 PolarHBondContact O-N 3.42Å; V576-R578 PolarHBondContact O-N 3.09Å
577P51.5Low58.7Low107 Ų107138.4 Ų138.470%0.69570%0.699SS**  trans-65.8125.3-178.526.5-33.9000110.3D575 T579D575-P577 VanDerWaalsContact O-CD 3.3Å; D575-P577 WeakPolarHBondContact O-CD 3.42Å; P577-T579 PolarHBondContact O-N 3.06Å
578R51Low56Low241 Ų241138.2 Ų138.291%0.90971%0.707SS**  trans-51.8114.9175.7-81.7-177.3166.1-175-4110.5V576 P580V576-R578 PolarHBondContact O-N 3.09Å; R578-P580 WeakPolarHBondContact O-CD 3.48Å
579T45.5Very low53.5Low129 Ų129135.5 Ų135.579%0.79172%0.718SS**PPolyproline II helixtrans-61.7121.3176.350.70000110.6P577P577-T579 PolarHBondContact O-N 3.06Å
580P42.8Very low50.8Low121 Ų121134.3 Ų134.379%0.78674%0.736SS**PPolyproline II helixtrans-67.6140170.728.5-32.9000109.8R578R578-P580 WeakPolarHBondContact O-CD 3.48Å
581K41.3Very low48.5Very low189 Ų189137.2 Ų137.282%0.82275%0.749SS**PPolyproline II helixtrans-65151.7171.4-72.4-178.5177.7-179.40109.9S583K581-S583 PolarHBondContact O-N 2.62Å
582P46.6Very low46.1Very low135 Ų135144.7 Ų144.788%0.87778%0.777SS**  trans-70.197-174.628.1-35.4000112.2
583S29.5Very low43.8Very low100 Ų100151.8 Ų151.870%0.69980%0.799SS**  trans-100.891.3171.360.50000111.1K581 V585K581-S583 PolarHBondContact O-N 2.62Å; S583-V585 PolarHBondContact O-N 2.8Å
584Q45.9Very low41.9Very low192 Ų192150.9 Ų150.990%0.89780%0.803SS**  trans-34.1109.5161.7175.1-174.23.700113.8
585V30.5Very low41.1Very low128 Ų128147.1 Ų147.178%0.77680%0.804SS**  trans-138.7145.5169.2-176.80000111.1S583S583-V585 PolarHBondContact O-N 2.8Å
586Y36.7Very low39.8Very low209 Ų209151.5 Ų151.582%0.8281%0.81SS**  trans-63.4156.1-179.5-76.4-106.1000114.4
587T32Very low38.7Very low141 Ų141152.7 Ų152.787%0.86582%0.818SS**  trans-74.7117.8163.451.20000111.3
588T33.5Very low37.9Very low140 Ų140159.5 Ų159.586%0.85983%0.83SS**  trans-127.7153.6161.347.50000109.8
589A36.8Very low37.2Very low105 Ų105156.2 Ų156.287%0.86883%0.825SS**  trans-106.4146-166.200000113.3
590A31.3Very low36.9Very low103 Ų103155.9 Ų155.985%0.85183%0.825SS**  trans-150.2152.815500000111
591Q40.2Very low36.7Very low173 Ų173156 Ų15681%0.80882%0.824SS**  trans-86.5165.2-174.1-51170.48.200111.8
592H33.8Very low37.2Very low198 Ų198153.2 Ų153.292%0.91783%0.825SS**  trans-153.9151.4131.7-96.2-69.7000111.4
593R32Very low36.4Very low229 Ų229150.5 Ų150.586%0.86482%0.821SS**  trans-83.7154.2173.4-62.6168.1160.1171.5-7.7109.1
594S35.5Very low36.7Very low111 Ų111155.4 Ų155.478%0.77682%0.824SS**  169.9-169.770.355.90000109.5
595P51.1Low36.2Very low116 Ų116155.6 Ų155.675%0.75382%0.817SS**  -130.6-163.4-81.141.1-23.9000114.2
596R33.6Very low36.5Very low229 Ų229160.3 Ų160.386%0.86482%0.821SS**  trans88.3102.4162.7-75.4-168.4111.5125.2-0.7121.1
597T31.9Very low36.6Very low111 Ų111159.5 Ų159.568%0.68182%0.824SS**  83102.2120.5-46.90000119.9
598R33.5Very low37.1Very low249 Ų249159.2 Ų159.294%0.9482%0.818SS**  -146.1147.1123.3-118.9173.6174.1-179.6-3.3110.5
599Q36.6Very low37.5Very low172 Ų172162.4 Ų162.480%0.80482%0.82SS**  trans-87.4154.7-176.2-64.7-176.3-2.200112.3
600P40.2Very low37.8Very low123 Ų123163.7 Ų163.780%0.79982%0.817SS**  trans-121.9138.4152.335.9-25000112.7
601T38.5Very low38.6Very low123 Ų123171 Ų17176%0.75582%0.822SS**  trans-134.2168.4165.268.20000108.4
602P50.6Low38.7Very low131 Ų131173.8 Ų173.885%0.85183%0.826SS**  -123155.5-94.124.4-3.5000115.7
603G31.8Very low39.4Very low78 Ų78168.4 Ų168.480%0.80482%0.815SS**  trans-134.227.5-159.900000120.6
604R34.7Very low40.1Very low202 Ų202163 Ų16376%0.76281%0.81SS**  trans65.4136.9163.3-90.5-173.8166.8-164.7-0.9122.3
605R34.8Very low41Very low196 Ų196162.9 Ų162.974%0.7481%0.806SS**  trans64.7104.6148-64.5175.1175.2-165.5-6117.4
606R37.7Very low41.3Very low228 Ų228164.3 Ų164.386%0.8681%0.805SS**  60.711570.9-72.4-159.3-176.6-160.84.1115.2
607Q38.9Very low42.5Very low191 Ų191162 Ų16289%0.89380%0.801SS**  -157.4135.6120.3-111.3178.72000110.8
608D41.6Very low43.9Very low136 Ų136160.3 Ų160.373%0.72779%0.79SS**  trans-83.4152-178.2-49.8-91.1000112
609K43.1Very low45.4Very low207 Ų207154.8 Ų154.890%0.977%0.773SS**  trans-134.2133.6157.8-73.2-168.1177.1177.80110.6
610T43.2Very low46.7Very low132 Ų132151.9 Ų151.981%0.8176%0.763SS**  trans-84.1151.6-166.246.30000113.5R612T610-R612 PolarHBondContact O-N 2.67Å
611R47.9Very low47.8Very low255 Ų255149.1 Ų149.196%0.96274%0.742SS**  trans-70.890.2175.8-174.3-177.1-175-174.61.7110.5
612R41.2Very low49.3Very low233 Ų233145.8 Ų145.888%0.87972%0.719SS**PPolyproline II helixtrans-74.4138.4163.2-89.5-170.2170.8-168-3.2110T610T610-R612 PolarHBondContact O-N 2.67Å
613A48.2Very low50.5Low84 Ų84143 Ų14369%0.69470%0.697SS**PPolyproline II helixtrans-67.2152.5160.700000109.9
614P47.5Very low52.6Low117 Ų117139.9 Ų139.976%0.7666%0.661SS**PPolyproline II helixtrans-63.6133.6176.2-18.832000110.8M616P614-M616 PolarHBondContact O-N 2.85Å
615P54.4Low54.5Low107 Ų107132.9 Ų132.970%0.69564%0.642SS**PPolyproline II helixtrans-67.9125.5166.928.7-32.1000108.9K617P615-K617 PolarHBondContact O-N 3.18Å
616M58.4Low56.3Low147 Ų147126.2 Ų126.272%0.72462%0.621SS**PPolyproline II helixtrans-62.2126.3173.8-72.7169.168.600109.6P614 E630P614-M616 PolarHBondContact O-N 2.85Å; M616-E630 WeakPolarHBondContact CE-OE1 3.25Å
617K58.6Low57.9Low181 Ų181119 Ų11979%0.78760%0.599SS**  trans-99.981.2-179.4-66.1-174.5-179-177.90109.8P615 K619P615-K617 PolarHBondContact O-N 3.18Å; K617-K619 PolarHBondContact O-N 2.78Å
618V59.8Low59.5Low75 Ų75113.3 Ų113.346%0.45557%0.574SS.*PPolyproline II helixtrans-60.6122.7160.6-176.30000106.8L623 L626V618-L623 HydrophobicContact CG1-CB 3.91Å; V618-L623 HydrophobicContact CG1-CD1 4.17Å; V618-L626 HydrophobicContact CG1-CD1 4.39Å; V618-L626 HydrophobicContact CG2-CD1 4.07Å
619K65.4Low61Low133 Ų133114.1 Ų114.158%0.57857%0.574SS**PPolyproline II helixtrans-90.9161.8173.7-49.6-166.8-143.3840110.1K617 N621 D622K617-K619 PolarHBondContact O-N 2.78Å; K619-N621 PolarHBondContact O-N 2.91Å; K619-D622 HydrophobicContact CB-CB 4.29Å; K619-D622 WeakPolarHBondContact CB-OD2 3.39Å; K619-D622 WeakPolarHBondContact CG-OD2 3.36Å; K619-D622 IonicContact NZ-OD2 3.46Å; K619-D622 PolarHBondContact NZ-OD2 3.03Å; K619-D622 PolarHBondContact O-N 2.97Å
620D63.8Low62.6Low111 Ų111109.6 Ų109.659%0.59456%0.556SS**THydrogen-bonded Turntrans-54.6124.8165.4-49.6-63.9000109V652D620-V652 HydrophobicContact CB-CG1 4.45Å; D620-V652 HydrophobicContact CB-CG2 4.34Å
621N63.8Low63.8Low65 Ų65109 Ų10935%0.34854%0.543SS..THydrogen-bonded Turntrans83.8-15.8-170.5-47.6-68.8000118.1K619 Q648K619-N621 PolarHBondContact O-N 2.91Å; N621-Q648 PolarHBondContact O-NE2 3.05Å
622D70.3Confident64.5Low53 Ų53101.6 Ų101.628%0.28353%0.527SS..  trans-87.5-4.7-175.4-71.2-14.3000115.3K619 P625 L626K619-D622 HydrophobicContact CB-CB 4.29Å; K619-D622 WeakPolarHBondContact CB-OD2 3.39Å; K619-D622 WeakPolarHBondContact CG-OD2 3.36Å; K619-D622 IonicContact NZ-OD2 3.46Å; K619-D622 PolarHBondContact NZ-OD2 3.03Å; K619-D622 PolarHBondContact O-N 2.97Å; D622-P625 WeakPolarHBondContact O-CD 3.49Å; D622-L626 HydrophobicContact CB-CD1 4.23Å; D622-L626 WeakPolarHBondContact O-CD1 3.44Å; D622-L626 VanDerWaalsContact O-CG 3.3Å; D622-L626 WeakPolarHBondContact O-CG 3.49Å; D622-L626 PolarHBondContact O-N 3.06Å
623L75.9Confident65.2Low73 Ų7398.3 Ų98.338%0.38252%0.522SS..Hα-helixtrans-64.9-50.3-172.8-18062.2000114.6V618 L626 L627V618-L623 HydrophobicContact CG1-CB 3.91Å; V618-L623 HydrophobicContact CG1-CD1 4.17Å; L623-L626 PolarHBondContact O-N 3.32Å; L623-L627 HydrophobicContact CD1-CD1 3.98Å; L623-L627 HydrophobicContact CD1-CG 4.34Å; L623-L627 HydrophobicContact CG-CD1 4.05Å; L623-L627 PolarHBondContact O-N 3.41Å; L623-L627 VanDerWaalsContact O-N 3.09Å
624L75.1Confident66.1Low11 Ų1199.3 Ų99.36%0.05851%0.514CS..Hα-helixtrans-64.7-43179.8-168.4109.9000113.1L626 L627 L628 L641 M644 W645L624-L626 PolarHBondContact O-N 3.12Å; L624-L627 PolarHBondContact O-N 3.17Å; L624-L628 HydrophobicContact CD2-CD1 3.98Å; L624-L628 HydrophobicContact CG-CD1 4.23Å; L624-L628 WeakPolarHBondContact O-CD1 3.31Å; L624-L628 WeakPolarHBondContact O-CG 3.44Å; L624-L628 PolarHBondContact O-N 2.89Å; L624-L628 VanDerWaalsContact O-N 3.13Å; L624-L641 HydrophobicContact CD2-CD1 3.85Å; L624-L641 HydrophobicContact CD2-CG 4.17Å; L624-M644 HydrophobicContact CD1-CB 3.45Å; L624-M644 VanDerWaalsContact CD1-CB 3.45Å; L624-M644 HydrophobicContact CD1-CE 3.77Å; L624-M644 HydrophobicContact CD1-CG 4.49Å; L624-W645 HydrophobicContact CB-CE3 4.36Å; L624-W645 HydrophobicContact CD2-CE3 3.89Å
625P74.1Confident66.9Low56 Ų56102.5 Ų102.536%0.36452%0.519SS..Hα-helixtrans-55.5-46.5171.7-28.136000113.7D622 L627 L628 E629 W645D622-P625 WeakPolarHBondContact O-CD 3.49Å; P625-L627 PolarHBondContact O-N 3.07Å; P625-L628 WeakPolarHBondContact O-CB 3.33Å; P625-L628 PolarHBondContact O-N 3.22Å; P625-L628 VanDerWaalsContact O-N 3.13Å; P625-E629 PolarHBondContact O-N 3.08Å; P625-W645 HydrophobicContact CG-CZ3 4.28Å
626L74.5Confident67.8Low55 Ų55100.3 Ų100.329%0.28850%0.501SS..Hα-helixtrans-65.5-37.4-179.8-69.9169000112.4V618 D622 L623 L624 L628 E629 E630V618-L626 HydrophobicContact CG1-CD1 4.39Å; V618-L626 HydrophobicContact CG2-CD1 4.07Å; D622-L626 HydrophobicContact CB-CD1 4.23Å; D622-L626 WeakPolarHBondContact O-CD1 3.44Å; D622-L626 VanDerWaalsContact O-CG 3.3Å; D622-L626 WeakPolarHBondContact O-CG 3.49Å; D622-L626 PolarHBondContact O-N 3.06Å; L623-L626 PolarHBondContact O-N 3.32Å; L624-L626 PolarHBondContact O-N 3.12Å; L626-L628 VanDerWaalsContact C-N 3.28Å; L626-L628 PolarHBondContact O-N 3.21Å; L626-E629 PolarHBondContact O-N 3.44Å; L626-E630 PolarHBondContact O-N 2.81Å
627L70.3Confident68.6Low78 Ų7896.7 Ų96.741%0.40849%0.49SS..Hα-helixtrans-67.6-25.1174-76.5168.2000113.5L623 L624 P625 F631L623-L627 HydrophobicContact CD1-CD1 3.98Å; L623-L627 HydrophobicContact CD1-CG 4.34Å; L623-L627 HydrophobicContact CG-CD1 4.05Å; L623-L627 PolarHBondContact O-N 3.41Å; L623-L627 VanDerWaalsContact O-N 3.09Å; L624-L627 PolarHBondContact O-N 3.17Å; P625-L627 PolarHBondContact O-N 3.07Å; L627-F631 HydrophobicContact CD2-CE2 4.39Å; L627-F631 WeakPolarHBondContact O-CD2 3.14Å
628L72.4Confident69.4Low70 Ų7093.2 Ų93.237%0.36649%0.486SS..Hα-helixtrans-78.6-33.9172.4-70.1157000111.6L624 P625 L626 L636 L641L624-L628 HydrophobicContact CD2-CD1 3.98Å; L624-L628 HydrophobicContact CG-CD1 4.23Å; L624-L628 WeakPolarHBondContact O-CD1 3.31Å; L624-L628 WeakPolarHBondContact O-CG 3.44Å; L624-L628 PolarHBondContact O-N 2.89Å; L624-L628 VanDerWaalsContact O-N 3.13Å; P625-L628 WeakPolarHBondContact O-CB 3.33Å; P625-L628 PolarHBondContact O-N 3.22Å; P625-L628 VanDerWaalsContact O-N 3.13Å; L626-L628 VanDerWaalsContact C-N 3.28Å; L626-L628 PolarHBondContact O-N 3.21Å; L628-L636 HydrophobicContact CD2-CD1 4.13Å; L628-L641 HydrophobicContact CD1-CD1 3.93Å; L628-L641 HydrophobicContact CD2-CD1 4.18Å
629E73.8Confident70.2Confident153 Ų15395.4 Ų95.472%0.71549%0.491SS*.Hα-helixtrans-72.9-38.3177.8-167.6172-174.400112.4P625 L626P625-E629 PolarHBondContact O-N 3.08Å; L626-E629 PolarHBondContact O-N 3.44Å
630E75.6Confident70.9Confident112 Ų11290.3 Ų90.352%0.52347%0.474SS..Hα-helixtrans-74.6-22.2176.9-71.7-172.4174.100114M616 L626 P632M616-E630 WeakPolarHBondContact CE-OE1 3.25Å; L626-E630 PolarHBondContact O-N 2.81Å; E630-P632 VanDerWaalsContact C-CD 3.42Å; E630-P632 WeakPolarHBondContact O-CD 3.33Å
631F68.3Low71.6Confident121 Ų12188 Ų8853%0.53146%0.461SS..  trans-12463.6-178.5-63.6-77.9000113.1L627 H633 L634L627-F631 HydrophobicContact CD2-CE2 4.39Å; L627-F631 WeakPolarHBondContact O-CD2 3.14Å; F631-H633 PolarHBondContact O-N 3.1Å; F631-L634 HydrophobicContact CB-CB 4.2Å; F631-L634 WeakPolarHBondContact O-CB 3.37Å; F631-L634 PolarHBondContact O-N 2.99Å
632P63.4Low72.4Confident98 Ų9886.5 Ų86.564%0.63646%0.461SS*.THydrogen-bonded Turntrans-67.51.7-167.827.4-37.1000116.5E630E630-P632 VanDerWaalsContact C-CD 3.42Å; E630-P632 WeakPolarHBondContact O-CD 3.33Å
633H54.9Low73.1Confident165 Ų16590.8 Ų90.876%0.76447%0.473SS*.THydrogen-bonded Turntrans-110.13.1176-56.595.7000112.9F631 H635F631-H633 PolarHBondContact O-N 3.1Å; H633-H635 PolarHBondContact O-CD2 3.24Å; H633-H635 PolarHBondContact O-N 3.02Å
634L68.9Low73.4Confident104 Ų10490.7 Ų90.755%0.54547%0.472SS..  trans-88.189.4-175.6-16874.2000111.5F631 L636F631-L634 HydrophobicContact CB-CB 4.2Å; F631-L634 WeakPolarHBondContact O-CB 3.37Å; F631-L634 PolarHBondContact O-N 2.99Å; L634-L636 VanDerWaalsContact C-N 3.28Å; L634-L636 HydrophobicContact CD2-CD1 4.23Å; L634-L636 HydrophobicContact CD2-CD2 4.02Å; L634-L636 HydrophobicContact CD2-CG 4Å; L634-L636 HydrophobicContact CG-CD2 4.21Å; L634-L636 HydrophobicContact CG-CG 4.13Å; L634-L636 PolarHBondContact O-N 2.68Å
635H63.7Low73.7Confident185 Ų18595.4 Ų95.486%0.85649%0.489SS*.  trans-70.675.8177.9-66.2-87.1000112.8H633H633-H635 PolarHBondContact O-CD2 3.24Å; H633-H635 PolarHBondContact O-N 3.02Å
636L72.1Confident74.1Confident60 Ų6099.3 Ų99.331%0.31450%0.502SS..  trans-66.9132.5173.4-68.3176.3000111.2L628 L634 M644L628-L636 HydrophobicContact CD2-CD1 4.13Å; L634-L636 VanDerWaalsContact C-N 3.28Å; L634-L636 HydrophobicContact CD2-CD1 4.23Å; L634-L636 HydrophobicContact CD2-CD2 4.02Å; L634-L636 HydrophobicContact CD2-CG 4Å; L634-L636 HydrophobicContact CG-CD2 4.21Å; L634-L636 HydrophobicContact CG-CG 4.13Å; L634-L636 PolarHBondContact O-N 2.68Å; L636-M644 HydrophobicContact CD1-CE 4.17Å; L636-M644 HydrophobicContact CD1-SD 4.26Å
637S76.1Confident74.5Confident71 Ų71103 Ų10350%0.49752%0.518SS..  trans-58.7138.3173.2175.30000110.9H639 A640 L641S637-H639 PolarHBondContact O-N 2.72Å; S637-H639 VanDerWaalsContact O-N 3.09Å; S637-A640 WeakPolarHBondContact O-CA 3.35Å; S637-A640 WeakPolarHBondContact O-CB 3.25Å; S637-A640 PolarHBondContact O-N 2.87Å; S637-L641 PolarHBondContact O-N 3.45Å
638P74.8Confident75Confident109 Ų109100.1 Ų100.171%0.70850%0.502SS*.Hα-helixtrans-54.1-32.3178.2-28.635.6000114.1G642P638-G642 PolarHBondContact O-N 3.06Å
639H78.1Confident75.3Confident121 Ų12199.9 Ų99.956%0.5650%0.501SS*.Hα-helixtrans-73.3-33.9175.2-176.773.3000112.6S637 R643S637-H639 PolarHBondContact O-N 2.72Å; S637-H639 VanDerWaalsContact O-N 3.09Å; H639-R643 PolarHBondContact CD2-NH1 3.12Å; H639-R643 PolarHBondContact NE2-NH1 2.82Å; H639-R643 WeakPolarHBondContact O-CG 3.22Å; H639-R643 PolarHBondContact O-N 3.33Å; H639-R643 VanDerWaalsContact O-N 3.15Å
640A79.3Confident75.7Confident25 Ų2593.8 Ų93.821%0.20748%0.48CS..Hα-helixtrans-68.4-43.217300000111.2S637 G642 R643 M644S637-A640 WeakPolarHBondContact O-CA 3.35Å; S637-A640 WeakPolarHBondContact O-CB 3.25Å; S637-A640 PolarHBondContact O-N 2.87Å; A640-G642 VanDerWaalsContact C-N 3.35Å; A640-G642 PolarHBondContact O-N 2.99Å; A640-R643 PolarHBondContact O-N 3.03Å; A640-M644 WeakPolarHBondContact O-CG 3.35Å; A640-M644 PolarHBondContact O-N 3.36Å
641L78.7Confident75.8Confident64 Ų6493.9 Ų93.934%0.33548%0.48SS..Hα-helixtrans-53.7-50.1173.4-164.586.9000111.2L624 L628 S637 R643 M644 W645L624-L641 HydrophobicContact CD2-CD1 3.85Å; L624-L641 HydrophobicContact CD2-CG 4.17Å; L628-L641 HydrophobicContact CD1-CD1 3.93Å; L628-L641 HydrophobicContact CD2-CD1 4.18Å; S637-L641 PolarHBondContact O-N 3.45Å; L641-R643 PolarHBondContact O-N 2.86Å; L641-M644 PolarHBondContact O-N 3.44Å; L641-W645 WeakPolarHBondContact O-CB 3.38Å; L641-W645 PolarHBondContact O-N 3.3Å
642G80.9Confident76.1Confident33 Ų3388.9 Ų88.934%0.3446%0.459SS..Hα-helixtrans-60.5-41.817800000113.6P638 A640 W645 Q646P638-G642 PolarHBondContact O-N 3.06Å; A640-G642 VanDerWaalsContact C-N 3.35Å; A640-G642 PolarHBondContact O-N 2.99Å; G642-W645 PolarHBondContact O-N 3.13Å; G642-Q646 WeakPolarHBondContact O-CG 3.43Å; G642-Q646 PolarHBondContact O-N 3.45Å
643R85.1Confident76.6Confident143 Ų14389 Ų8954%0.5446%0.455SS..Hα-helixtrans-67-42.2175.9-68.7-167.9-52.3-142.213.6112.3H639 A640 L641 W645 Q646 Q647H639-R643 PolarHBondContact CD2-NH1 3.12Å; H639-R643 PolarHBondContact NE2-NH1 2.82Å; H639-R643 WeakPolarHBondContact O-CG 3.22Å; H639-R643 PolarHBondContact O-N 3.33Å; H639-R643 VanDerWaalsContact O-N 3.15Å; A640-R643 PolarHBondContact O-N 3.03Å; L641-R643 PolarHBondContact O-N 2.86Å; R643-W645 VanDerWaalsContact C-N 3.34Å; R643-Q646 PolarHBondContact O-N 2.83Å; R643-Q647 VanDerWaalsContact O-CB 3.3Å; R643-Q647 WeakPolarHBondContact O-CB 3.36Å; R643-Q647 PolarHBondContact O-N 3.19Å
644M81.4Confident77.6Confident71 Ų7190.7 Ų90.735%0.3545%0.454SS..Hα-helixtrans-65.5-38177.3-68.7164.865.700111.5L624 L636 A640 L641 Q647 Q648L624-M644 HydrophobicContact CD1-CB 3.45Å; L624-M644 VanDerWaalsContact CD1-CB 3.45Å; L624-M644 HydrophobicContact CD1-CE 3.77Å; L624-M644 HydrophobicContact CD1-CG 4.49Å; L636-M644 HydrophobicContact CD1-CE 4.17Å; L636-M644 HydrophobicContact CD1-SD 4.26Å; A640-M644 WeakPolarHBondContact O-CG 3.35Å; A640-M644 PolarHBondContact O-N 3.36Å; L641-M644 PolarHBondContact O-N 3.44Å; M644-Q647 PolarHBondContact O-N 2.88Å; M644-Q648 PolarHBondContact O-N 2.89Å
645W80.9Confident77.8Confident109 Ų10990.2 Ų90.241%0.41345%0.452SS..Hα-helixtrans-63.8-46.2173.1-172.7-93000112.4L624 P625 L641 G642 R643 Q647 Q648 L649L624-W645 HydrophobicContact CB-CE3 4.36Å; L624-W645 HydrophobicContact CD2-CE3 3.89Å; P625-W645 HydrophobicContact CG-CZ3 4.28Å; L641-W645 WeakPolarHBondContact O-CB 3.38Å; L641-W645 PolarHBondContact O-N 3.3Å; G642-W645 PolarHBondContact O-N 3.13Å; R643-W645 VanDerWaalsContact C-N 3.34Å; W645-Q647 VanDerWaalsContact C-N 3.27Å; W645-Q647 PolarHBondContact O-N 2.71Å; W645-Q648 PolarHBondContact O-N 3.21Å; W645-L649 HydrophobicContact CZ2-CD1 4.45Å; W645-L649 PolarHBondContact O-N 3.11Å
646Q82.6Confident78Confident139 Ų13985.4 Ų85.465%0.6543%0.432SS*.Hα-helixtrans-59.9-36.7172.8-74.9174.1-16.800112.3G642 R643 G650G642-Q646 WeakPolarHBondContact O-CG 3.43Å; G642-Q646 PolarHBondContact O-N 3.45Å; R643-Q646 PolarHBondContact O-N 2.83Å; Q646-G650 PolarHBondContact O-N 3.11Å
647Q82.9Confident77.8Confident132 Ų13285.3 Ų85.362%0.61744%0.441SS*.Hα-helixtrans-71.2-34178.1-166.1169.811.800112.1R643 M644 W645 Q651R643-Q647 VanDerWaalsContact O-CB 3.3Å; R643-Q647 WeakPolarHBondContact O-CB 3.36Å; R643-Q647 PolarHBondContact O-N 3.19Å; M644-Q647 PolarHBondContact O-N 2.88Å; W645-Q647 VanDerWaalsContact C-N 3.27Å; W645-Q647 PolarHBondContact O-N 2.71Å; Q647-Q651 WeakPolarHBondContact O-CG 3.44Å; Q647-Q651 PolarHBondContact O-N 2.66Å; Q647-Q651 VanDerWaalsContact O-N 3.08Å
648Q81.4Confident77.2Confident17 Ų1784.8 Ų84.88%0.07944%0.437CS..Hα-helixtrans-70.6-46.8172.5-171.8-179.4-23.200111.7N621 M644 W645 G650 Q651 V652N621-Q648 PolarHBondContact O-NE2 3.05Å; M644-Q648 PolarHBondContact O-N 2.89Å; W645-Q648 PolarHBondContact O-N 3.21Å; Q648-G650 VanDerWaalsContact C-N 3.34Å; Q648-G650 PolarHBondContact O-N 2.94Å; Q648-Q651 PolarHBondContact O-N 3.17Å; Q648-Q651 VanDerWaalsContact O-N 3.09Å; Q648-V652 WeakPolarHBondContact O-CG2 3.4Å; Q648-V652 PolarHBondContact O-N 2.77Å
649L79Confident76.5Confident65 Ų6584.1 Ų84.134%0.3443%0.427SS..Hα-helixtrans-55.5-49.8172-107.864000110.7W645 Q651 V652 D653W645-L649 HydrophobicContact CZ2-CD1 4.45Å; W645-L649 PolarHBondContact O-N 3.11Å; L649-Q651 PolarHBondContact O-N 3.3Å; L649-Q651 VanDerWaalsContact O-N 3.15Å; L649-V652 PolarHBondContact O-N 3.47Å; L649-D653 PolarHBondContact O-N 2.85Å
650G80.9Confident75.6Confident26 Ų2681.7 Ų81.727%0.26842%0.424SS..Hα-helixtrans-64.5-16.8177.400000115.1Q646 Q648 R654Q646-G650 PolarHBondContact O-N 3.11Å; Q648-G650 VanDerWaalsContact C-N 3.34Å; Q648-G650 PolarHBondContact O-N 2.94Å; G650-R654 WeakPolarHBondContact O-CD 3.47Å; G650-R654 WeakPolarHBondContact O-CG 3.44Å; G650-R654 PolarHBondContact O-NE 3.36Å
651Q77.8Confident74.6Confident113 Ų11386.5 Ų86.553%0.52845%0.445SS..Hα-helixtrans-83.6-45167.1-81.4-174.3-10.100111.7Q647 Q648 L649 D653 R654 L655Q647-Q651 WeakPolarHBondContact O-CG 3.44Å; Q647-Q651 PolarHBondContact O-N 2.66Å; Q647-Q651 VanDerWaalsContact O-N 3.08Å; Q648-Q651 PolarHBondContact O-N 3.17Å; Q648-Q651 VanDerWaalsContact O-N 3.09Å; L649-Q651 PolarHBondContact O-N 3.3Å; L649-Q651 VanDerWaalsContact O-N 3.15Å; Q651-D653 VanDerWaalsContact C-N 3.31Å; Q651-D653 PolarHBondContact O-N 3.39Å; Q651-R654 PolarHBondContact O-N 2.9Å; Q651-R654 VanDerWaalsContact O-N 3.16Å; Q651-L655 WeakPolarHBondContact O-CG 3.4Å; Q651-L655 PolarHBondContact O-N 3.37Å
652V74.3Confident73.5Confident17 Ų1788.4 Ų88.410%0.10346%0.455CS..Hα-helixtrans-58.9-43176.2170.80000110.7D620 Q648 L649 R654 L655 N656D620-V652 HydrophobicContact CB-CG1 4.45Å; D620-V652 HydrophobicContact CB-CG2 4.34Å; Q648-V652 WeakPolarHBondContact O-CG2 3.4Å; Q648-V652 PolarHBondContact O-N 2.77Å; L649-V652 PolarHBondContact O-N 3.47Å; V652-R654 PolarHBondContact O-N 3.11Å; V652-L655 PolarHBondContact O-N 3.35Å; V652-N656 WeakPolarHBondContact CG1-ND2 3.49Å; V652-N656 VanDerWaalsContact O-CB 3.32Å; V652-N656 WeakPolarHBondContact O-CB 3.45Å; V652-N656 VanDerWaalsContact O-CG 3.29Å; V652-N656 PolarHBondContact O-N 2.95Å; V652-N656 PolarHBondContact O-ND2 3.33Å
653D74.6Confident72.3Confident101 Ų10190.9 Ų90.954%0.5446%0.461SS..Hα-helixtrans-64-37.2175.8-69.2-27.8000112.7L649 Q651 A657L649-D653 PolarHBondContact O-N 2.85Å; Q651-D653 VanDerWaalsContact C-N 3.31Å; Q651-D653 PolarHBondContact O-N 3.39Å; D653-A657 VanDerWaalsContact O-CB 3.29Å; D653-A657 WeakPolarHBondContact O-CB 3.14Å; D653-A657 PolarHBondContact O-N 2.92Å
654R77.2Confident70.9Confident199 Ų19991.9 Ų91.975%0.75147%0.472SS*.Hα-helixtrans-71-38.5175.3-73.1171.1-167.1-158.31.1112.2G650 Q651 V652 A657 S658G650-R654 WeakPolarHBondContact O-CD 3.47Å; G650-R654 WeakPolarHBondContact O-CG 3.44Å; G650-R654 PolarHBondContact O-NE 3.36Å; Q651-R654 PolarHBondContact O-N 2.9Å; Q651-R654 VanDerWaalsContact O-N 3.16Å; V652-R654 PolarHBondContact O-N 3.11Å; R654-A657 PolarHBondContact O-N 2.87Å; R654-S658 PolarHBondContact O-N 3.1Å
655L71.8Confident69.6Low95 Ų9598.2 Ų98.250%0.49749%0.492SS..Hα-helixtrans-66.2-45.3174.3-71168.1000110.4Q651 V652 A657 S658 L659Q651-L655 WeakPolarHBondContact O-CG 3.4Å; Q651-L655 PolarHBondContact O-N 3.37Å; V652-L655 PolarHBondContact O-N 3.35Å; L655-A657 VanDerWaalsContact C-N 3.33Å; L655-A657 PolarHBondContact O-N 2.79Å; L655-S658 PolarHBondContact O-N 3.44Å; L655-S658 VanDerWaalsContact O-N 3.15Å; L655-S658 PolarHBondContact O-OG 2.85Å; L655-L659 PolarHBondContact O-N 3.31Å
656N67.3Low68.3Low83 Ų8396.6 Ų96.644%0.44449%0.489SS..Hα-helixtrans-61-37.9172.6-74.8-32.1000112.7V652 L659 S660V652-N656 WeakPolarHBondContact CG1-ND2 3.49Å; V652-N656 VanDerWaalsContact O-CB 3.32Å; V652-N656 WeakPolarHBondContact O-CB 3.45Å; V652-N656 VanDerWaalsContact O-CG 3.29Å; V652-N656 PolarHBondContact O-N 2.95Å; V652-N656 PolarHBondContact O-ND2 3.33Å; N656-L659 PolarHBondContact O-N 3.43Å; N656-S660 WeakPolarHBondContact O-CB 3.44Å; N656-S660 PolarHBondContact O-N 3.3Å
657A69.2Low67Low59 Ų5992.5 Ų92.549%0.48848%0.484SS..Hα-helixtrans-64.6-41172.700000112.3D653 R654 L655 S660 L661D653-A657 VanDerWaalsContact O-CB 3.29Å; D653-A657 WeakPolarHBondContact O-CB 3.14Å; D653-A657 PolarHBondContact O-N 2.92Å; R654-A657 PolarHBondContact O-N 2.87Å; L655-A657 VanDerWaalsContact C-N 3.33Å; L655-A657 PolarHBondContact O-N 2.79Å; A657-S660 WeakPolarHBondContact O-CB 3.41Å; A657-S660 PolarHBondContact O-N 3.44Å; A657-L661 PolarHBondContact O-N 2.83Å
658S63.4Low65.7Low60 Ų6090.4 Ų90.442%0.4248%0.482SS..Hα-helixtrans-65.8-41.7174.468.70000112.7R654 L655 S660 L661 D662R654-S658 PolarHBondContact O-N 3.1Å; L655-S658 PolarHBondContact O-N 3.44Å; L655-S658 VanDerWaalsContact O-N 3.15Å; L655-S658 PolarHBondContact O-OG 2.85Å; S658-S660 VanDerWaalsContact C-N 3.31Å; S658-S660 PolarHBondContact O-N 2.87Å; S658-L661 PolarHBondContact O-N 2.93Å; S658-D662 PolarHBondContact O-N 2.66Å
659L60.4Low64.5Low95 Ų9598 Ų9850%0.49751%0.51SS..Hα-helixtrans-60.7-38.5171.2-80.5162.6000112.1L655 N656 L661 D662 N663L655-L659 PolarHBondContact O-N 3.31Å; N656-L659 PolarHBondContact O-N 3.43Å; L659-L661 VanDerWaalsContact C-N 3.33Å; L659-L661 PolarHBondContact O-N 3.02Å; L659-D662 PolarHBondContact O-N 3.34Å; L659-N663 VanDerWaalsContact O-CB 3.31Å; L659-N663 WeakPolarHBondContact O-CB 3.2Å; L659-N663 PolarHBondContact O-N 2.7Å; L659-N663 PolarHBondContact O-ND2 3.27Å; L659-N663 PolarHBondContact O-OD1 3.49Å
660S58.3Low63.7Low70 Ų7099 Ų9949%0.4952%0.519SS..Hα-helixtrans-64.4-36.6175.1-164.80000112.4N656 A657 S658 N663N656-S660 WeakPolarHBondContact O-CB 3.44Å; N656-S660 PolarHBondContact O-N 3.3Å; A657-S660 WeakPolarHBondContact O-CB 3.41Å; A657-S660 PolarHBondContact O-N 3.44Å; S658-S660 VanDerWaalsContact C-N 3.31Å; S658-S660 PolarHBondContact O-N 2.87Å; S660-N663 WeakPolarHBondContact O-CB 3.38Å; S660-N663 PolarHBondContact O-N 2.82Å
661L58.2Low63Low126 Ų126105.3 Ų105.366%0.6654%0.538SS*.Hα-helixtrans-70.8-41.9175.2-161.670.5000112.1A657 S658 L659 N663 Q664A657-L661 PolarHBondContact O-N 2.83Å; S658-L661 PolarHBondContact O-N 2.93Å; L659-L661 VanDerWaalsContact C-N 3.33Å; L659-L661 PolarHBondContact O-N 3.02Å; L661-N663 VanDerWaalsContact C-N 3.3Å; L661-N663 PolarHBondContact O-N 3.17Å; L661-Q664 PolarHBondContact O-N 3.42Å
662D56.2Low62.6Low103 Ų103105.3 Ų105.355%0.55154%0.542SS*.Hα-helixtrans-67.2-29.3172.9-92.2-20.7000112.6S658 L659 Q664 R665S658-D662 PolarHBondContact O-N 2.66Å; L659-D662 PolarHBondContact O-N 3.34Å; D662-Q664 PolarHBondContact O-N 3.45Å; D662-R665 PolarHBondContact O-N 3.27Å
663N55.8Low62.5Low85 Ų85108.1 Ų108.146%0.45556%0.559SS.*Hα-helixtrans-60.6-31.5175.6-77.6-22.9000112.5L659 S660 L661 R665 Q666L659-N663 VanDerWaalsContact O-CB 3.31Å; L659-N663 WeakPolarHBondContact O-CB 3.2Å; L659-N663 PolarHBondContact O-N 2.7Å; L659-N663 PolarHBondContact O-ND2 3.27Å; L659-N663 PolarHBondContact O-OD1 3.49Å; S660-N663 WeakPolarHBondContact O-CB 3.38Å; S660-N663 PolarHBondContact O-N 2.82Å; L661-N663 VanDerWaalsContact C-N 3.3Å; L661-N663 PolarHBondContact O-N 3.17Å; N663-R665 PolarHBondContact O-N 3.14Å; N663-Q666 PolarHBondContact O-N 3.4Å; N663-Q666 PolarHBondContact OD1-NE2 2.9Å
664Q55.7Low62.7Low165 Ų165105.6 Ų105.677%0.77155%0.549SS*.THydrogen-bonded Turntrans-70-11.2174.7-62.5-171.74.500113.6L661 D662L661-Q664 PolarHBondContact O-N 3.42Å; D662-Q664 PolarHBondContact O-N 3.45Å
665R54.5Low62.9Low203 Ų203102 Ų10277%0.76654%0.541SS*.THydrogen-bonded Turntrans-99.26.3176.4-65.8-176.3170.1-164.4-3.3114D662 N663 G667 P668D662-R665 PolarHBondContact O-N 3.27Å; N663-R665 PolarHBondContact O-N 3.14Å; R665-G667 VanDerWaalsContact C-N 3.26Å; R665-G667 PolarHBondContact O-N 3.13Å; R665-P668 VanDerWaalsContact O-CD 3.27Å; R665-P668 WeakPolarHBondContact O-CD 3.5Å
666Q53.3Low63.4Low76 Ų76101.9 Ų101.936%0.35554%0.544SS..  trans-76.717.7-169.7-77.2-149.356.400118N663 P668 R669N663-Q666 PolarHBondContact O-N 3.4Å; N663-Q666 PolarHBondContact OD1-NE2 2.9Å; Q666-P668 VanDerWaalsContact C-N 3.26Å; Q666-P668 VanDerWaalsContact O-N 3.15Å; Q666-R669 PolarHBondContact O-N 2.92Å
667G55.2Low64.3Low52 Ų52102.3 Ų102.354%0.53654%0.543SS..THydrogen-bonded Turntrans-51.7-30171.300000116.5R665R665-G667 VanDerWaalsContact C-N 3.26Å; R665-G667 PolarHBondContact O-N 3.13Å
668P56.2Low65.1Low89 Ų89102.9 Ų102.958%0.57854%0.536SS*.THydrogen-bonded Turntrans-88.1-31.1177.1-15.632.1000115.8R665 Q666 K671 L672R665-P668 VanDerWaalsContact O-CD 3.27Å; R665-P668 WeakPolarHBondContact O-CD 3.5Å; Q666-P668 VanDerWaalsContact C-N 3.26Å; Q666-P668 VanDerWaalsContact O-N 3.15Å; P668-K671 PolarHBondContact O-N 3.44Å; P668-L672 PolarHBondContact O-N 2.82Å
669R55.1Low66.2Low177 Ų177104.2 Ų104.267%0.66854%0.541SS*.Hα-helixtrans-71.4-38.8-166.3-64.9-170.880.1136.20.2112.5Q666 K671 L672 T673Q666-R669 PolarHBondContact O-N 2.92Å; R669-K671 VanDerWaalsContact C-N 3.27Å; R669-K671 PolarHBondContact O-N 2.9Å; R669-L672 PolarHBondContact O-N 3.32Å; R669-L672 VanDerWaalsContact O-N 3.16Å; R669-T673 PolarHBondContact O-N 2.77Å; R669-T673 PolarHBondContact O-OG1 2.95Å
670T62.1Low67.5Low86 Ų86104.3 Ų104.353%0.52854%0.539SS..Hα-helixtrans-61.9-31175.546.10000113.4T673 S674T670-T673 WeakPolarHBondContact CA-OG1 3.5Å; T670-T673 PolarHBondContact O-OG1 3.19Å; T670-T673 VanDerWaalsContact O-OG1 3.06Å; T670-S674 WeakPolarHBondContact O-CB 3.19Å; T670-S674 PolarHBondContact O-N 2.87Å
671K66.7Low69.1Low157 Ų157107.6 Ų107.668%0.68354%0.541SS*.Hα-helixtrans-70.5-40.8174.2-60.5-174.9-177.8-176.50111.3P668 R669 S674 Q675P668-K671 PolarHBondContact O-N 3.44Å; R669-K671 VanDerWaalsContact C-N 3.27Å; R669-K671 PolarHBondContact O-N 2.9Å; K671-S674 PolarHBondContact O-N 3.43Å; K671-Q675 WeakPolarHBondContact O-CB 3.36Å; K671-Q675 PolarHBondContact O-N 3.07Å
672L70.2Confident70.7Confident114 Ų114109.2 Ų109.260%0.59754%0.538SS*.Hα-helixtrans-66.4-41.6176.3-160.580.3000111.6P668 R669 Q675 V676P668-L672 PolarHBondContact O-N 2.82Å; R669-L672 PolarHBondContact O-N 3.32Å; R669-L672 VanDerWaalsContact O-N 3.16Å; L672-Q675 PolarHBondContact O-N 2.85Å; L672-V676 WeakPolarHBondContact O-CB 3.36Å; L672-V676 WeakPolarHBondContact O-CG2 3.29Å; L672-V676 PolarHBondContact O-N 3.16Å
673T72.1Confident72.4Confident75 Ų75109 Ų10946%0.4653%0.534SS..Hα-helixtrans-66.5-43.9175.656.20000111.7R669 T670 Q675 V676 E677R669-T673 PolarHBondContact O-N 2.77Å; R669-T673 PolarHBondContact O-OG1 2.95Å; T670-T673 WeakPolarHBondContact CA-OG1 3.5Å; T670-T673 PolarHBondContact O-OG1 3.19Å; T670-T673 VanDerWaalsContact O-OG1 3.06Å; T673-Q675 VanDerWaalsContact C-N 3.29Å; T673-Q675 PolarHBondContact O-N 3.37Å; T673-V676 PolarHBondContact O-N 3.32Å; T673-E677 WeakPolarHBondContact O-CB 3.42Å; T673-E677 WeakPolarHBondContact O-CG 3.48Å; T673-E677 PolarHBondContact O-N 3.35Å
674S78.8Confident74.2Confident48 Ų48109.2 Ų109.234%0.33654%0.535SS..Hα-helixtrans-55.7-44.7173.1-174.30000111.7T670 K671 E677 E678T670-S674 WeakPolarHBondContact O-CB 3.19Å; T670-S674 PolarHBondContact O-N 2.87Å; K671-S674 PolarHBondContact O-N 3.43Å; S674-E677 PolarHBondContact O-N 2.89Å; S674-E678 WeakPolarHBondContact O-CB 3.42Å; S674-E678 WeakPolarHBondContact O-CG 3.45Å; S674-E678 PolarHBondContact O-N 2.92Å
675Q81.5Confident76.2Confident123 Ų123106.1 Ų106.158%0.57552%0.523SS*.Hα-helixtrans-68.2-37.3-179.6-168.1172.44800112.3K671 L672 T673 E678 V679K671-Q675 WeakPolarHBondContact O-CB 3.36Å; K671-Q675 PolarHBondContact O-N 3.07Å; L672-Q675 PolarHBondContact O-N 2.85Å; T673-Q675 VanDerWaalsContact C-N 3.29Å; T673-Q675 PolarHBondContact O-N 3.37Å; Q675-E678 PolarHBondContact O-N 2.86Å; Q675-V679 WeakPolarHBondContact O-CG2 3.47Å; Q675-V679 PolarHBondContact O-N 3.46Å
676V81.7Confident78.1Confident93 Ų93101 Ų10156%0.56451%0.51SS*.Hα-helixtrans-66.5-42.6172.9167.90000111.3L672 T673 V679 Q680L672-V676 WeakPolarHBondContact O-CB 3.36Å; L672-V676 WeakPolarHBondContact O-CG2 3.29Å; L672-V676 PolarHBondContact O-N 3.16Å; T673-V676 PolarHBondContact O-N 3.32Å; V676-V679 PolarHBondContact O-N 2.88Å; V676-Q680 PolarHBondContact O-N 2.96Å
677E85.3Confident80.1Confident92 Ų92100.9 Ų100.943%0.4352%0.515SS..Hα-helixtrans-64.7-38.8174.4-70.4171.2-151.900112.1T673 S674 Q680 R681T673-E677 WeakPolarHBondContact O-CB 3.42Å; T673-E677 WeakPolarHBondContact O-CG 3.48Å; T673-E677 PolarHBondContact O-N 3.35Å; S674-E677 PolarHBondContact O-N 2.89Å; E677-Q680 PolarHBondContact O-N 3.47Å; E677-R681 VanDerWaalsContact CB-NH1 3.27Å; E677-R681 WeakPolarHBondContact O-CB 3.35Å; E677-R681 WeakPolarHBondContact O-CG 3.48Å; E677-R681 PolarHBondContact O-N 2.91Å; E677-R681 IonicContact OE2-CZ 3.59Å; E677-R681 IonicContact OE2-NH1 2.74Å; E677-R681 PolarHBondContact OE2-NH1 3.47Å; E677-R681 IonicContact OE2-NH2 3.63Å; E677-R681 PolarHBondContact OE2-NH2 2.83Å
678E87.1Confident82.1Confident71 Ų71101.8 Ų101.833%0.33251%0.505SS..Hα-helixtrans-62.6-43.5171.9-80.4-179.9-118.100112.1S674 Q675 Q680 R681 R682S674-E678 WeakPolarHBondContact O-CB 3.42Å; S674-E678 WeakPolarHBondContact O-CG 3.45Å; S674-E678 PolarHBondContact O-N 2.92Å; Q675-E678 PolarHBondContact O-N 2.86Å; E678-Q680 VanDerWaalsContact C-N 3.29Å; E678-Q680 PolarHBondContact O-N 3.35Å; E678-R681 PolarHBondContact O-N 3.26Å; E678-R682 WeakPolarHBondContact O-CB 3.36Å; E678-R682 WeakPolarHBondContact O-CG 3.49Å; E678-R682 PolarHBondContact O-N 3.08Å; E678-R682 IonicContact OE2-CZ 2.69Å; E678-R682 IonicContact OE2-NH2 2.71Å; E678-R682 PolarHBondContact OE2-NH2 3.12Å
679V85.4Confident84Confident89 Ų89101.7 Ų101.754%0.53950%0.499SS..Hα-helixtrans-61.3-40173.71680000110.5Q675 V676 R682 H683Q675-V679 WeakPolarHBondContact O-CG2 3.47Å; Q675-V679 PolarHBondContact O-N 3.46Å; V676-V679 PolarHBondContact O-N 2.88Å; V679-R682 PolarHBondContact O-N 2.85Å; V679-H683 VanDerWaalsContact O-CB 3.31Å; V679-H683 WeakPolarHBondContact O-CB 3.22Å; V679-H683 PolarHBondContact O-N 3.21Å
680Q88.1Confident85.9Confident97 Ų9796.5 Ų96.545%0.45348%0.484SS..Hα-helixtrans-67.5-40.6175.3-167.664.350.300112.3V676 E677 E678 H683 N684V676-Q680 PolarHBondContact O-N 2.96Å; E677-Q680 PolarHBondContact O-N 3.47Å; E678-Q680 VanDerWaalsContact C-N 3.29Å; E678-Q680 PolarHBondContact O-N 3.35Å; Q680-H683 PolarHBondContact O-N 2.91Å; Q680-N684 PolarHBondContact NE2-OD1 3.28Å; Q680-N684 WeakPolarHBondContact O-CB 3.22Å; Q680-N684 PolarHBondContact O-N 3.32Å; Q680-N684 PolarHBondContact O-OD1 3.39Å
681R91.6Very high87.5Confident139 Ų13998.1 Ų98.153%0.52548%0.48SS..Hα-helixtrans-60.7-45.8173.8-72.6165.2-172.2121.19.6110.8E677 E678 N684 L685E677-R681 VanDerWaalsContact CB-NH1 3.27Å; E677-R681 WeakPolarHBondContact O-CB 3.35Å; E677-R681 WeakPolarHBondContact O-CG 3.48Å; E677-R681 PolarHBondContact O-N 2.91Å; E677-R681 IonicContact OE2-CZ 3.59Å; E677-R681 IonicContact OE2-NH1 2.74Å; E677-R681 PolarHBondContact OE2-NH1 3.47Å; E677-R681 IonicContact OE2-NH2 3.63Å; E677-R681 PolarHBondContact OE2-NH2 2.83Å; E678-R681 PolarHBondContact O-N 3.26Å; R681-N684 PolarHBondContact O-N 3.39Å; R681-L685 WeakPolarHBondContact O-CB 3.18Å; R681-L685 PolarHBondContact O-N 3.36Å
682R92.1Very high88.9Confident159 Ų15995.7 Ų95.760%0.647%0.469SS*.Hα-helixtrans-65-39.3176.3-66.3168.4-160.2-157.18.2111.8E678 V679 L686E678-R682 WeakPolarHBondContact O-CB 3.36Å; E678-R682 WeakPolarHBondContact O-CG 3.49Å; E678-R682 PolarHBondContact O-N 3.08Å; E678-R682 IonicContact OE2-CZ 2.69Å; E678-R682 IonicContact OE2-NH2 2.71Å; E678-R682 PolarHBondContact OE2-NH2 3.12Å; V679-R682 PolarHBondContact O-N 2.85Å; R682-L686 WeakPolarHBondContact O-CB 3.35Å; R682-L686 PolarHBondContact O-N 2.86Å
683H91.5Very high90.1Very high99 Ų9995.5 Ų95.546%0.45847%0.465SS..Hα-helixtrans-66.4-47.6174.7179.774.4000112V679 Q680 L685 L686 V687V679-H683 VanDerWaalsContact O-CB 3.31Å; V679-H683 WeakPolarHBondContact O-CB 3.22Å; V679-H683 PolarHBondContact O-N 3.21Å; Q680-H683 PolarHBondContact O-N 2.91Å; H683-L685 VanDerWaalsContact C-N 3.3Å; H683-L685 PolarHBondContact O-N 2.87Å; H683-L686 PolarHBondContact O-N 3.17Å; H683-L686 VanDerWaalsContact O-N 3.17Å; H683-V687 WeakPolarHBondContact O-CG2 3.31Å; H683-V687 PolarHBondContact O-N 2.92Å
684N95.1Very high91.2Very high90 Ų9097.9 Ų97.948%0.48147%0.471SS..Hα-helixtrans-58.9-42.6176.3-69.3-1.2000111.1Q680 R681 V687 E688Q680-N684 PolarHBondContact NE2-OD1 3.28Å; Q680-N684 WeakPolarHBondContact O-CB 3.22Å; Q680-N684 PolarHBondContact O-N 3.32Å; Q680-N684 PolarHBondContact O-OD1 3.39Å; R681-N684 PolarHBondContact O-N 3.39Å; N684-V687 PolarHBondContact O-N 2.95Å; N684-E688 PolarHBondContact O-N 2.86Å
685L95.9Very high92Very high99 Ų9998.5 Ų98.552%0.51847%0.469SS..Hα-helixtrans-62.2-44.8174.717962000111.9R681 H683 E688 I689R681-L685 WeakPolarHBondContact O-CB 3.18Å; R681-L685 PolarHBondContact O-N 3.36Å; H683-L685 VanDerWaalsContact C-N 3.3Å; H683-L685 PolarHBondContact O-N 2.87Å; L685-E688 PolarHBondContact O-N 3.49Å; L685-I689 HydrophobicContact CD1-CD1 4.26Å; L685-I689 HydrophobicContact CD1-CG1 4.48Å; L685-I689 HydrophobicContact CG-CD1 4.03Å; L685-I689 VanDerWaalsContact O-CG1 3.31Å; L685-I689 WeakPolarHBondContact O-CG1 3.31Å; L685-I689 PolarHBondContact O-N 3.44Å
686L95.6Very high92.7Very high95 Ų9598.1 Ų98.150%0.49747%0.467SS..Hα-helixtrans-62.4-42.5176.2-179.861.2000112R682 H683 E688 I689 I690R682-L686 WeakPolarHBondContact O-CB 3.35Å; R682-L686 PolarHBondContact O-N 2.86Å; H683-L686 PolarHBondContact O-N 3.17Å; H683-L686 VanDerWaalsContact O-N 3.17Å; L686-E688 VanDerWaalsContact C-N 3.31Å; L686-E688 PolarHBondContact O-N 3.39Å; L686-I689 PolarHBondContact O-N 2.93Å; L686-I690 HydrophobicContact CD1-CD1 4.16Å; L686-I690 HydrophobicContact CD1-CG1 4.43Å; L686-I690 HydrophobicContact CG-CD1 3.98Å; L686-I690 WeakPolarHBondContact O-CB 3.18Å; L686-I690 VanDerWaalsContact O-CG1 3.27Å; L686-I690 WeakPolarHBondContact O-CG1 3.36Å; L686-I690 PolarHBondContact O-N 3.39Å
687V95.8Very high93.4Very high75 Ų7596.7 Ų96.746%0.45546%0.456SS..Hα-helixtrans-62-38.9174170.40000111.1H683 N684 I690 R691H683-V687 WeakPolarHBondContact O-CG2 3.31Å; H683-V687 PolarHBondContact O-N 2.92Å; N684-V687 PolarHBondContact O-N 2.95Å; V687-I690 PolarHBondContact O-N 2.9Å; V687-R691 WeakPolarHBondContact O-CB 3.21Å; V687-R691 PolarHBondContact O-N 3.21Å
688E95.9Very high93.9Very high70 Ų70100 Ų10033%0.32747%0.465SS..Hα-helixtrans-70.9-36.2177.2-147-148.316800112.9N684 L685 L686 R691 K692N684-E688 PolarHBondContact O-N 2.86Å; L685-E688 PolarHBondContact O-N 3.49Å; L686-E688 VanDerWaalsContact C-N 3.31Å; L686-E688 PolarHBondContact O-N 3.39Å; E688-R691 PolarHBondContact O-N 3.44Å; E688-R691 IonicContact OE1-NH2 3.43Å; E688-R691 PolarHBondContact OE1-NH2 2.87Å; E688-K692 VanDerWaalsContact CD-CE 3.42Å; E688-K692 WeakPolarHBondContact O-CB 3.49Å; E688-K692 VanDerWaalsContact O-CG 3.3Å; E688-K692 WeakPolarHBondContact O-CG 3.17Å; E688-K692 PolarHBondContact O-N 3.27Å; E688-K692 WeakPolarHBondContact OE1-CE 3.49Å; E688-K692 IonicContact OE1-NZ 3.34Å; E688-K692 PolarHBondContact OE1-NZ 2.84Å; E688-K692 IonicContact OE2-NZ 2.71Å; E688-K692 PolarHBondContact OE2-NZ 3.4Å
689I95.9Very high94.4Very high87 Ų87104 Ų10445%0.44648%0.477SS..Hα-helixtrans-62.1-49.5171.8-70.5164.5000109.8L685 L686 R691 K692 E693L685-I689 HydrophobicContact CD1-CD1 4.26Å; L685-I689 HydrophobicContact CD1-CG1 4.48Å; L685-I689 HydrophobicContact CG-CD1 4.03Å; L685-I689 VanDerWaalsContact O-CG1 3.31Å; L685-I689 WeakPolarHBondContact O-CG1 3.31Å; L685-I689 PolarHBondContact O-N 3.44Å; L686-I689 PolarHBondContact O-N 2.93Å; I689-R691 VanDerWaalsContact C-N 3.3Å; I689-R691 PolarHBondContact O-N 3.42Å; I689-K692 PolarHBondContact O-N 2.88Å; I689-K692 VanDerWaalsContact O-N 3.14Å; I689-E693 WeakPolarHBondContact O-CB 3.29Å; I689-E693 PolarHBondContact O-N 3.38Å
690I95Very high94.9Very high69 Ų69102.8 Ų102.835%0.35447%0.467SS..Hα-helixtrans-59.5-40.4177-69.5165.5000110.9L686 V687 E693 Q694L686-I690 HydrophobicContact CD1-CD1 4.16Å; L686-I690 HydrophobicContact CD1-CG1 4.43Å; L686-I690 HydrophobicContact CG-CD1 3.98Å; L686-I690 WeakPolarHBondContact O-CB 3.18Å; L686-I690 VanDerWaalsContact O-CG1 3.27Å; L686-I690 WeakPolarHBondContact O-CG1 3.36Å; L686-I690 PolarHBondContact O-N 3.39Å; V687-I690 PolarHBondContact O-N 2.9Å; I690-E693 PolarHBondContact O-N 3.13Å; I690-Q694 HydrophobicContact CG2-CG 4.43Å; I690-Q694 WeakPolarHBondContact O-CB 3.28Å; I690-Q694 VanDerWaalsContact O-CG 3.26Å; I690-Q694 WeakPolarHBondContact O-CG 3.33Å; I690-Q694 PolarHBondContact O-N 3.46Å
691R96.8Very high95.2Very high119 Ų119105.7 Ų105.745%0.44947%0.474SS..Hα-helixtrans-61.7-48.2173.9-175.2-176.967.5100.2-11.3111.7V687 E688 I689 E693 Q694 E695V687-R691 WeakPolarHBondContact O-CB 3.21Å; V687-R691 PolarHBondContact O-N 3.21Å; E688-R691 PolarHBondContact O-N 3.44Å; E688-R691 IonicContact OE1-NH2 3.43Å; E688-R691 PolarHBondContact OE1-NH2 2.87Å; I689-R691 VanDerWaalsContact C-N 3.3Å; I689-R691 PolarHBondContact O-N 3.42Å; R691-E693 VanDerWaalsContact C-N 3.29Å; R691-E693 PolarHBondContact O-N 3.4Å; R691-Q694 PolarHBondContact O-N 2.76Å; R691-E695 IonicContact CZ-OE1 2.85Å; R691-E695 IonicContact NH1-OE1 3.34Å; R691-E695 PolarHBondContact NH1-OE1 2.98Å; R691-E695 WeakPolarHBondContact O-CB 3.19Å; R691-E695 WeakPolarHBondContact O-CG 3.4Å; R691-E695 PolarHBondContact O-N 3.49Å
692K96.1Very high95.4Very high106 Ų106101.4 Ų101.446%0.46146%0.462SS..Hα-helixtrans-61.5-37.7178-74.5165.4178.4164.80111.6E688 I689 H696E688-K692 VanDerWaalsContact CD-CE 3.42Å; E688-K692 WeakPolarHBondContact O-CB 3.49Å; E688-K692 VanDerWaalsContact O-CG 3.3Å; E688-K692 WeakPolarHBondContact O-CG 3.17Å; E688-K692 PolarHBondContact O-N 3.27Å; E688-K692 WeakPolarHBondContact OE1-CE 3.49Å; E688-K692 IonicContact OE1-NZ 3.34Å; E688-K692 PolarHBondContact OE1-NZ 2.84Å; E688-K692 IonicContact OE2-NZ 2.71Å; E688-K692 PolarHBondContact OE2-NZ 3.4Å; I689-K692 PolarHBondContact O-N 2.88Å; I689-K692 VanDerWaalsContact O-N 3.14Å; K692-H696 WeakPolarHBondContact O-CB 3.41Å; K692-H696 PolarHBondContact O-N 2.95Å
693E95.5Very high95.6Very high110 Ų11099.7 Ų99.751%0.51446%0.458SS..Hα-helixtrans-68.5-44.2175.1-161.2-155.5144.800112.2I689 I690 R691 E695 H696 N697I689-E693 WeakPolarHBondContact O-CB 3.29Å; I689-E693 PolarHBondContact O-N 3.38Å; I690-E693 PolarHBondContact O-N 3.13Å; R691-E693 VanDerWaalsContact C-N 3.29Å; R691-E693 PolarHBondContact O-N 3.4Å; E693-E695 VanDerWaalsContact C-N 3.32Å; E693-E695 PolarHBondContact O-N 2.81Å; E693-H696 PolarHBondContact O-N 3Å; E693-N697 WeakPolarHBondContact O-CB 3.45Å; E693-N697 PolarHBondContact O-N 3.16Å; E693-N697 PolarHBondContact O-ND2 3.25Å; E693-N697 VanDerWaalsContact O-ND2 3.08Å; E693-N697 PolarHBondContact OE1-ND2 3.05Å
694Q94.9Very high95.9Very high125 Ų125101.2 Ų101.258%0.58446%0.464SS*.Hα-helixtrans-62.5-39.1174.9-73.9175.912.500111.9I690 R691 R698I690-Q694 HydrophobicContact CG2-CG 4.43Å; I690-Q694 WeakPolarHBondContact O-CB 3.28Å; I690-Q694 VanDerWaalsContact O-CG 3.26Å; I690-Q694 WeakPolarHBondContact O-CG 3.33Å; I690-Q694 PolarHBondContact O-N 3.46Å; R691-Q694 PolarHBondContact O-N 2.76Å; Q694-R698 WeakPolarHBondContact O-CB 3.5Å; Q694-R698 PolarHBondContact O-N 3.31Å
695E95.8Very high95.9Very high61 Ų61101.9 Ų101.929%0.28546%0.464SS..Hα-helixtrans-66.4-42.6172.3-76.9-178.6-141.200112.5R691 E693 R698 R699R691-E695 IonicContact CZ-OE1 2.85Å; R691-E695 IonicContact NH1-OE1 3.34Å; R691-E695 PolarHBondContact NH1-OE1 2.98Å; R691-E695 WeakPolarHBondContact O-CB 3.19Å; R691-E695 WeakPolarHBondContact O-CG 3.4Å; R691-E695 PolarHBondContact O-N 3.49Å; E693-E695 VanDerWaalsContact C-N 3.32Å; E693-E695 PolarHBondContact O-N 2.81Å; E695-R698 PolarHBondContact O-N 3.36Å; E695-R699 WeakPolarHBondContact O-CG 3.44Å; E695-R699 PolarHBondContact O-N 2.93Å; E695-R699 IonicContact OE2-CZ 3.39Å; E695-R699 IonicContact OE2-NH2 2.66Å; E695-R699 PolarHBondContact OE2-NH2 3.47Å
696H95.9Very high95.9Very high115 Ų115104.4 Ų104.453%0.53247%0.467SS..Hα-helixtrans-60.8-47.3174.5-18086.4000111.1K692 E693 R698 R699 L700K692-H696 WeakPolarHBondContact O-CB 3.41Å; K692-H696 PolarHBondContact O-N 2.95Å; E693-H696 PolarHBondContact O-N 3Å; H696-R698 VanDerWaalsContact C-N 3.29Å; H696-R698 PolarHBondContact O-N 2.81Å; H696-R699 PolarHBondContact O-N 2.96Å; H696-L700 WeakPolarHBondContact O-CB 3.35Å; H696-L700 PolarHBondContact O-N 3.36Å
697N96.4Very high96Very high63 Ų63102.6 Ų102.634%0.33746%0.457SS..Hα-helixtrans-62.3-33.7175.8-81.2-52.5000112.7E693 R701E693-N697 WeakPolarHBondContact O-CB 3.45Å; E693-N697 PolarHBondContact O-N 3.16Å; E693-N697 PolarHBondContact O-ND2 3.25Å; E693-N697 VanDerWaalsContact O-ND2 3.08Å; E693-N697 PolarHBondContact OE1-ND2 3.05Å; N697-R701 WeakPolarHBondContact O-CG 3.45Å; N697-R701 PolarHBondContact O-N 3.35Å; N697-R701 VanDerWaalsContact O-N 3.13Å
698R96.3Very high96Very high161 Ų161105.7 Ų105.761%0.60847%0.466SS*.Hα-helixtrans-64.6-56169.3-177.4177.6177.9172.71.8110.8Q694 E695 H696 L700 R701 D702Q694-R698 WeakPolarHBondContact O-CB 3.5Å; Q694-R698 PolarHBondContact O-N 3.31Å; E695-R698 PolarHBondContact O-N 3.36Å; H696-R698 VanDerWaalsContact C-N 3.29Å; H696-R698 PolarHBondContact O-N 2.81Å; R698-L700 PolarHBondContact O-N 3.45Å; R698-L700 VanDerWaalsContact O-N 3.15Å; R698-R701 WeakPolarHBondContact O-CA 3.16Å; R698-R701 WeakPolarHBondContact O-CB 3.37Å; R698-R701 PolarHBondContact O-N 2.65Å; R698-D702 PolarHBondContact O-N 3.37Å; R698-D702 VanDerWaalsContact O-OD1 3.05Å
699R95.9Very high95.9Very high155 Ų155107 Ų10759%0.58547%0.472SS*.Hα-helixtrans-54.1-37.6178.9-65.2166.3-156.2-1627.9112E695 H696 D702 F703E695-R699 WeakPolarHBondContact O-CG 3.44Å; E695-R699 PolarHBondContact O-N 2.93Å; E695-R699 IonicContact OE2-CZ 3.39Å; E695-R699 IonicContact OE2-NH2 2.66Å; E695-R699 PolarHBondContact OE2-NH2 3.47Å; H696-R699 PolarHBondContact O-N 2.96Å; R699-D702 PolarHBondContact O-N 2.9Å; R699-F703 VanDerWaalsContact O-CB 3.27Å; R699-F703 WeakPolarHBondContact O-CB 3.29Å; R699-F703 PolarHBondContact O-N 2.91Å
700L96.3Very high95.9Very high65 Ų65109.3 Ų109.334%0.3448%0.481SS..Hα-helixtrans-69.7-36.1176.5-175.461.7000113.1H696 R698 K704H696-L700 WeakPolarHBondContact O-CB 3.35Å; H696-L700 PolarHBondContact O-N 3.36Å; R698-L700 PolarHBondContact O-N 3.45Å; R698-L700 VanDerWaalsContact O-N 3.15Å; L700-K704 HydrophobicContact CG-CD 4.46Å; L700-K704 WeakPolarHBondContact O-CB 3.43Å; L700-K704 VanDerWaalsContact O-CG 3.29Å; L700-K704 WeakPolarHBondContact O-CG 3.36Å; L700-K704 PolarHBondContact O-N 2.74Å
701R95.3Very high96Very high157 Ų157112 Ų11259%0.59249%0.491SS*.Hα-helixtrans-65.5-50.5169.1-74.1-177.4-64.3-123.7-2.2110.6N697 R698 F703 K704 E705N697-R701 WeakPolarHBondContact O-CG 3.45Å; N697-R701 PolarHBondContact O-N 3.35Å; N697-R701 VanDerWaalsContact O-N 3.13Å; R698-R701 WeakPolarHBondContact O-CA 3.16Å; R698-R701 WeakPolarHBondContact O-CB 3.37Å; R698-R701 PolarHBondContact O-N 2.65Å; R701-F703 PolarHBondContact O-N 3.44Å; R701-F703 VanDerWaalsContact O-N 3.14Å; R701-K704 PolarHBondContact O-N 3.16Å; R701-K704 VanDerWaalsContact O-N 3.12Å; R701-E705 WeakPolarHBondContact O-CB 3.42Å; R701-E705 PolarHBondContact O-N 3.44Å
702D96.1Very high95.9Very high50 Ų50109.6 Ų109.627%0.26749%0.492SS..Hα-helixtrans-59.8-27.2179.5-49.9-13.4000112.1R698 R699 R706R698-D702 PolarHBondContact O-N 3.37Å; R698-D702 VanDerWaalsContact O-OD1 3.05Å; R699-D702 PolarHBondContact O-N 2.9Å; D702-R706 WeakPolarHBondContact O-CG 3.43Å; D702-R706 PolarHBondContact O-N 3.18Å; D702-R706 PolarHBondContact O-NE 3.16Å
703F96.1Very high95.8Very high122 Ų122108.4 Ų108.454%0.53549%0.494SS..Hα-helixtrans-80.1-46.2174.4-177.5-107.4000112.5R699 R701 E705 R706 I707R699-F703 VanDerWaalsContact O-CB 3.27Å; R699-F703 WeakPolarHBondContact O-CB 3.29Å; R699-F703 PolarHBondContact O-N 2.91Å; R701-F703 PolarHBondContact O-N 3.44Å; R701-F703 VanDerWaalsContact O-N 3.14Å; F703-E705 VanDerWaalsContact C-N 3.3Å; F703-E705 PolarHBondContact O-N 2.94Å; F703-R706 PolarHBondContact O-N 3.39Å; F703-I707 HydrophobicContact CD1-CD1 3.93Å; F703-I707 HydrophobicContact CE1-CD1 3.46Å; F703-I707 VanDerWaalsContact CE1-CD1 3.46Å; F703-I707 HydrophobicContact CE2-CD1 4.33Å; F703-I707 HydrophobicContact CZ-CD1 3.7Å; F703-I707 PolarHBondContact O-N 3.28Å
704K96.8Very high95.8Very high132 Ų132108 Ų10857%0.57449%0.492SS*.Hα-helixtrans-59.4-41.5173.8-76173.5178.8-179.70111.6L700 R701 I707 Q708L700-K704 HydrophobicContact CG-CD 4.46Å; L700-K704 WeakPolarHBondContact O-CB 3.43Å; L700-K704 VanDerWaalsContact O-CG 3.29Å; L700-K704 WeakPolarHBondContact O-CG 3.36Å; L700-K704 PolarHBondContact O-N 2.74Å; R701-K704 PolarHBondContact O-N 3.16Å; R701-K704 VanDerWaalsContact O-N 3.12Å; K704-I707 PolarHBondContact O-N 3.2Å; K704-Q708 WeakPolarHBondContact O-CB 3.5Å; K704-Q708 PolarHBondContact O-N 2.82Å
705E96.5Very high95.9Very high103 Ų103106.5 Ų106.548%0.48149%0.488SS..Hα-helixtrans-63.7-47.1176.6-166.9-172.8163.300111.3R701 F703 I707 Q708 Q709R701-E705 WeakPolarHBondContact O-CB 3.42Å; R701-E705 PolarHBondContact O-N 3.44Å; F703-E705 VanDerWaalsContact C-N 3.3Å; F703-E705 PolarHBondContact O-N 2.94Å; E705-I707 VanDerWaalsContact C-N 3.32Å; E705-I707 PolarHBondContact O-N 2.84Å; E705-Q708 CarbonylContact O-C 3.58Å; E705-Q708 WeakPolarHBondContact O-CA 3.47Å; E705-Q708 WeakPolarHBondContact O-CB 3.47Å; E705-Q708 PolarHBondContact O-N 3.47Å; E705-Q709 HydrophobicContact CG-CG 4.36Å; E705-Q709 WeakPolarHBondContact O-CG 3.31Å; E705-Q709 PolarHBondContact O-N 2.92Å; E705-Q709 PolarHBondContact OE1-NE2 2.77Å
706R96.1Very high95.9Very high152 Ų152111.7 Ų111.757%0.57451%0.505SS*.Hα-helixtrans-58.7-40.7175.2-85.5176.7-81.2-166.3-7.4112.7D702 F703 Q708 Q709 Q710D702-R706 WeakPolarHBondContact O-CG 3.43Å; D702-R706 PolarHBondContact O-N 3.18Å; D702-R706 PolarHBondContact O-NE 3.16Å; F703-R706 PolarHBondContact O-N 3.39Å; R706-Q708 VanDerWaalsContact C-N 3.34Å; R706-Q709 PolarHBondContact O-N 3.39Å; R706-Q710 VanDerWaalsContact O-CB 3.3Å; R706-Q710 WeakPolarHBondContact O-CB 3.5Å; R706-Q710 PolarHBondContact O-N 3.25Å
707I95.6Very high95.9Very high57 Ų57111 Ų11129%0.29250%0.504SS..Hα-helixtrans-64.1-38.8172.7-70.3173000111.4F703 K704 E705 Q710 K711F703-I707 HydrophobicContact CD1-CD1 3.93Å; F703-I707 HydrophobicContact CE1-CD1 3.46Å; F703-I707 VanDerWaalsContact CE1-CD1 3.46Å; F703-I707 HydrophobicContact CE2-CD1 4.33Å; F703-I707 HydrophobicContact CZ-CD1 3.7Å; F703-I707 PolarHBondContact O-N 3.28Å; K704-I707 PolarHBondContact O-N 3.2Å; E705-I707 VanDerWaalsContact C-N 3.32Å; E705-I707 PolarHBondContact O-N 2.84Å; I707-Q710 PolarHBondContact O-N 3.41Å; I707-K711 HydrophobicContact CG2-CD 4.05Å; I707-K711 HydrophobicContact CG2-CG 4.5Å; I707-K711 WeakPolarHBondContact O-CB 3.41Å; I707-K711 VanDerWaalsContact O-CG 3.3Å; I707-K711 WeakPolarHBondContact O-CG 3.28Å; I707-K711 PolarHBondContact O-N 2.9Å
708Q95.9Very high95.9Very high140 Ų140113 Ų11365%0.65451%0.51SS*.Hα-helixtrans-68.2-41.2177.6-173.6172.6-6.700112.1K704 E705 R706 K711 S712K704-Q708 WeakPolarHBondContact O-CB 3.5Å; K704-Q708 PolarHBondContact O-N 2.82Å; E705-Q708 CarbonylContact O-C 3.58Å; E705-Q708 WeakPolarHBondContact O-CA 3.47Å; E705-Q708 WeakPolarHBondContact O-CB 3.47Å; E705-Q708 PolarHBondContact O-N 3.47Å; R706-Q708 VanDerWaalsContact C-N 3.34Å; Q708-K711 PolarHBondContact O-N 3.29Å; Q708-S712 WeakPolarHBondContact O-CB 3.38Å; Q708-S712 PolarHBondContact O-N 3.02Å; Q708-S712 PolarHBondContact O-OG 3.44Å
709Q95.4Very high95.9Very high97 Ų97110.4 Ų110.445%0.45351%0.505SS..Hα-helixtrans-65.3-40.1173.7-68174.54.200111.8E705 R706 S712 T713E705-Q709 HydrophobicContact CG-CG 4.36Å; E705-Q709 WeakPolarHBondContact O-CG 3.31Å; E705-Q709 PolarHBondContact O-N 2.92Å; E705-Q709 PolarHBondContact OE1-NE2 2.77Å; R706-Q709 PolarHBondContact O-N 3.39Å; Q709-S712 PolarHBondContact O-OG 3.03Å; Q709-S712 VanDerWaalsContact O-OG 3.12Å; Q709-T713 WeakPolarHBondContact O-CB 3.36Å; Q709-T713 WeakPolarHBondContact O-CG2 3.39Å; Q709-T713 PolarHBondContact O-N 3.4Å; Q709-T713 PolarHBondContact O-OG1 2.89Å
710Q95.4Very high95.9Very high136 Ų136106.9 Ų106.964%0.63650%0.495SS*.Hα-helixtrans-65.3-40.6173.9-170.7-178.212.600111.5R706 I707 T713 Q714R706-Q710 VanDerWaalsContact O-CB 3.3Å; R706-Q710 WeakPolarHBondContact O-CB 3.5Å; R706-Q710 PolarHBondContact O-N 3.25Å; I707-Q710 PolarHBondContact O-N 3.41Å; Q710-T713 WeakPolarHBondContact CA-OG1 3.45Å; Q710-T713 PolarHBondContact O-OG1 3.11Å; Q710-T713 VanDerWaalsContact O-OG1 3.06Å; Q710-Q714 VanDerWaalsContact O-CB 3.26Å; Q710-Q714 WeakPolarHBondContact O-CB 3.3Å; Q710-Q714 PolarHBondContact O-N 3.27Å
711K95.9Very high95.9Very high126 Ų126113 Ų11355%0.54851%0.514SS..Hα-helixtrans-70-39.6176.3-75.5177.4179-176.10112.5I707 Q708 N715I707-K711 HydrophobicContact CG2-CD 4.05Å; I707-K711 HydrophobicContact CG2-CG 4.5Å; I707-K711 WeakPolarHBondContact O-CB 3.41Å; I707-K711 VanDerWaalsContact O-CG 3.3Å; I707-K711 WeakPolarHBondContact O-CG 3.28Å; I707-K711 PolarHBondContact O-N 2.9Å; Q708-K711 PolarHBondContact O-N 3.29Å; K711-N715 VanDerWaalsContact O-CB 3.28Å; K711-N715 WeakPolarHBondContact O-CB 3.45Å; K711-N715 PolarHBondContact O-N 3.35Å
712S94.7Very high96Very high69 Ų69110.5 Ų110.548%0.48351%0.509SS..Hα-helixtrans-69.1-40.6178.2680000112Q708 Q709 N715 R716Q708-S712 WeakPolarHBondContact O-CB 3.38Å; Q708-S712 PolarHBondContact O-N 3.02Å; Q708-S712 PolarHBondContact O-OG 3.44Å; Q709-S712 PolarHBondContact O-OG 3.03Å; Q709-S712 VanDerWaalsContact O-OG 3.12Å; S712-N715 PolarHBondContact O-N 2.96Å; S712-R716 WeakPolarHBondContact O-CB 3.24Å; S712-R716 PolarHBondContact O-N 2.84Å
713T95.1Very high96Very high80 Ų80113 Ų11349%0.49152%0.519SS..Hα-helixtrans-65.7-43.5172.849.80000112Q709 Q710 N715 R716 L717Q709-T713 WeakPolarHBondContact O-CB 3.36Å; Q709-T713 WeakPolarHBondContact O-CG2 3.39Å; Q709-T713 PolarHBondContact O-N 3.4Å; Q709-T713 PolarHBondContact O-OG1 2.89Å; Q710-T713 WeakPolarHBondContact CA-OG1 3.45Å; Q710-T713 PolarHBondContact O-OG1 3.11Å; Q710-T713 VanDerWaalsContact O-OG1 3.06Å; T713-N715 VanDerWaalsContact C-N 3.35Å; T713-N715 PolarHBondContact O-N 2.9Å; T713-R716 PolarHBondContact O-N 3.28Å; T713-L717 WeakPolarHBondContact O-CG 3.45Å; T713-L717 PolarHBondContact O-N 3.37Å
714Q95.9Very high96Very high103 Ų103112 Ų11248%0.48152%0.518SS..Hα-helixtrans-61.9-40.8174.8-167.2-169.442.600112.1Q710 L717 K718Q710-Q714 VanDerWaalsContact O-CB 3.26Å; Q710-Q714 WeakPolarHBondContact O-CB 3.3Å; Q710-Q714 PolarHBondContact O-N 3.27Å; Q714-L717 PolarHBondContact O-N 3.11Å; Q714-K718 WeakPolarHBondContact O-CG 3.32Å; Q714-K718 PolarHBondContact O-N 2.89Å
715N95.6Very high96Very high92 Ų92108.6 Ų108.649%0.49251%0.514SS..Hα-helixtrans-67.8-41.3176.8-74.8-6.6000111.7K711 S712 T713 L717 K718 E719K711-N715 VanDerWaalsContact O-CB 3.28Å; K711-N715 WeakPolarHBondContact O-CB 3.45Å; K711-N715 PolarHBondContact O-N 3.35Å; S712-N715 PolarHBondContact O-N 2.96Å; T713-N715 VanDerWaalsContact C-N 3.35Å; T713-N715 PolarHBondContact O-N 2.9Å; N715-L717 VanDerWaalsContact C-N 3.31Å; N715-L717 PolarHBondContact O-N 2.77Å; N715-K718 WeakPolarHBondContact O-CB 3.32Å; N715-K718 PolarHBondContact O-N 2.94Å; N715-K718 VanDerWaalsContact O-N 3.15Å; N715-E719 WeakPolarHBondContact O-CB 3.43Å; N715-E719 PolarHBondContact O-N 2.82Å
716R96.8Very high96Very high171 Ų171110.5 Ų110.565%0.64552%0.517SS*.Hα-helixtrans-60.3-39.8174.1-170.4175.9-175.4177.31.7112S712 T713 E719 Q720S712-R716 WeakPolarHBondContact O-CB 3.24Å; S712-R716 PolarHBondContact O-N 2.84Å; T713-R716 PolarHBondContact O-N 3.28Å; R716-E719 PolarHBondContact O-N 3.39Å; R716-Q720 WeakPolarHBondContact O-CB 3.35Å; R716-Q720 VanDerWaalsContact O-CG 3.29Å; R716-Q720 WeakPolarHBondContact O-CG 3.26Å; R716-Q720 PolarHBondContact O-N 3.03Å
717L96Very high96.1Very high99 Ų99106.1 Ų106.152%0.51851%0.513SS..Hα-helixtrans-66.8-38.5173.9-71.8168.9000112.6T713 Q714 N715 R721T713-L717 WeakPolarHBondContact O-CG 3.45Å; T713-L717 PolarHBondContact O-N 3.37Å; Q714-L717 PolarHBondContact O-N 3.11Å; N715-L717 VanDerWaalsContact C-N 3.31Å; N715-L717 PolarHBondContact O-N 2.77Å; L717-R721 VanDerWaalsContact O-CG 3.27Å; L717-R721 WeakPolarHBondContact O-CG 3.36Å; L717-R721 PolarHBondContact O-N 3.49Å
718K95.8Very high96.2Very high105 Ų105110.5 Ų110.546%0.45753%0.53SS..Hα-helixtrans-64.5-42.7172.7-73.4170.7178.91720111.5Q714 N715 R721 Q722Q714-K718 WeakPolarHBondContact O-CG 3.32Å; Q714-K718 PolarHBondContact O-N 2.89Å; N715-K718 WeakPolarHBondContact O-CB 3.32Å; N715-K718 PolarHBondContact O-N 2.94Å; N715-K718 VanDerWaalsContact O-N 3.15Å; K718-R721 PolarHBondContact O-N 3.26Å; K718-Q722 WeakPolarHBondContact O-CG 3.5Å; K718-Q722 PolarHBondContact O-N 3.06Å
719E96.5Very high96.2Very high107 Ų107109.8 Ų109.850%0.553%0.525SS..Hα-helixtrans-64.7-46.9177.9-170.3-175.8175.700111.3N715 R716 R721 Q722 Q723N715-E719 WeakPolarHBondContact O-CB 3.43Å; N715-E719 PolarHBondContact O-N 2.82Å; R716-E719 PolarHBondContact O-N 3.39Å; E719-R721 VanDerWaalsContact C-N 3.31Å; E719-R721 PolarHBondContact O-N 3.14Å; E719-Q722 CarbonylContact O-C 3.45Å; E719-Q722 WeakPolarHBondContact O-CA 3.24Å; E719-Q722 WeakPolarHBondContact O-CB 3.46Å; E719-Q722 PolarHBondContact O-N 2.73Å; E719-Q723 HydrophobicContact CG-CG 4.48Å; E719-Q723 WeakPolarHBondContact O-CG 3.46Å; E719-Q723 PolarHBondContact O-N 3.18Å; E719-Q723 PolarHBondContact OE1-NE2 2.95Å; E719-Q723 VanDerWaalsContact OE1-NE2 3.17Å
720Q95.9Very high96.3Very high82 Ų82113.2 Ų113.238%0.38354%0.535SS..Hα-helixtrans-57.1-42.7173.6-76.1173.5-40.700111.9R716 Q722 Q723 I724R716-Q720 WeakPolarHBondContact O-CB 3.35Å; R716-Q720 VanDerWaalsContact O-CG 3.29Å; R716-Q720 WeakPolarHBondContact O-CG 3.26Å; R716-Q720 PolarHBondContact O-N 3.03Å; Q720-Q722 VanDerWaalsContact C-N 3.35Å; Q720-Q722 PolarHBondContact O-N 2.87Å; Q720-Q723 PolarHBondContact O-N 2.84Å; Q720-I724 WeakPolarHBondContact O-CB 3.38Å; Q720-I724 VanDerWaalsContact O-CG1 3.26Å; Q720-I724 WeakPolarHBondContact O-CG1 3.41Å; Q720-I724 PolarHBondContact O-N 3.44Å
721R96.2Very high96.5Very high193 Ų193110.4 Ų110.473%0.72852%0.521SS*.Hα-helixtrans-61.1-40.9173.3-73.1172.6-176.2-153.70.4112.2L717 K718 E719 A725L717-R721 VanDerWaalsContact O-CG 3.27Å; L717-R721 WeakPolarHBondContact O-CG 3.36Å; L717-R721 PolarHBondContact O-N 3.49Å; K718-R721 PolarHBondContact O-N 3.26Å; E719-R721 VanDerWaalsContact C-N 3.31Å; E719-R721 PolarHBondContact O-N 3.14Å; R721-A725 VanDerWaalsContact O-CB 3.28Å; R721-A725 WeakPolarHBondContact O-CB 3.47Å; R721-A725 PolarHBondContact O-N 2.87Å
722Q96.9Very high96.5Very high105 Ų105107 Ų10749%0.49151%0.514SS..Hα-helixtrans-67.5-40.8174.9-71.5-174.320.900112.6K718 E719 Q720 A725 R726K718-Q722 WeakPolarHBondContact O-CG 3.5Å; K718-Q722 PolarHBondContact O-N 3.06Å; E719-Q722 CarbonylContact O-C 3.45Å; E719-Q722 WeakPolarHBondContact O-CA 3.24Å; E719-Q722 WeakPolarHBondContact O-CB 3.46Å; E719-Q722 PolarHBondContact O-N 2.73Å; Q720-Q722 VanDerWaalsContact C-N 3.35Å; Q720-Q722 PolarHBondContact O-N 2.87Å; Q722-A725 PolarHBondContact O-N 3.44Å; Q722-R726 WeakPolarHBondContact O-CB 3.33Å; Q722-R726 VanDerWaalsContact O-CG 3.23Å; Q722-R726 WeakPolarHBondContact O-CG 3.48Å; Q722-R726 PolarHBondContact O-N 3.38Å; Q722-R726 VanDerWaalsContact OE1-NH2 3.16Å
723Q96.2Very high96.7Very high103 Ų103106.4 Ų106.448%0.48151%0.505SS..Hα-helixtrans-62.7-45.7176.5-70.7172.71.400110.7E719 Q720 R726 A727E719-Q723 HydrophobicContact CG-CG 4.48Å; E719-Q723 WeakPolarHBondContact O-CG 3.46Å; E719-Q723 PolarHBondContact O-N 3.18Å; E719-Q723 PolarHBondContact OE1-NE2 2.95Å; E719-Q723 VanDerWaalsContact OE1-NE2 3.17Å; Q720-Q723 PolarHBondContact O-N 2.84Å; Q723-R726 PolarHBondContact O-N 3.22Å; Q723-A727 WeakPolarHBondContact O-CB 3.39Å; Q723-A727 PolarHBondContact O-N 3.04Å
724I96.8Very high96.8Very high101 Ų101106.2 Ų106.252%0.51850%0.496SS..Hα-helixtrans-62.6-42.2174.5-67.5164.7000111.1Q720 A727 K728Q720-I724 WeakPolarHBondContact O-CB 3.38Å; Q720-I724 VanDerWaalsContact O-CG1 3.26Å; Q720-I724 WeakPolarHBondContact O-CG1 3.41Å; Q720-I724 PolarHBondContact O-N 3.44Å; I724-A727 PolarHBondContact O-N 3.4Å; I724-K728 HydrophobicContact CG2-CD 4.25Å; I724-K728 HydrophobicContact CG2-CG 4.44Å; I724-K728 WeakPolarHBondContact O-CB 3.46Å; I724-K728 WeakPolarHBondContact O-CG 3.24Å; I724-K728 PolarHBondContact O-N 2.9Å
725A96Very high96.9Very high59 Ų59102.5 Ų102.549%0.48848%0.478SS..Hα-helixtrans-64.7-41.3176.800000112.5R721 Q722 K729R721-A725 VanDerWaalsContact O-CB 3.28Å; R721-A725 WeakPolarHBondContact O-CB 3.47Å; R721-A725 PolarHBondContact O-N 2.87Å; Q722-A725 PolarHBondContact O-N 3.44Å; A725-K729 WeakPolarHBondContact O-CB 3.36Å; A725-K729 PolarHBondContact O-N 2.97Å
726R97.8Very high97Very high143 Ų143101.9 Ų101.954%0.5448%0.478SS..Hα-helixtrans-63.5-46.5174.2-70.4171.2-161.6-166.68.3111.2Q722 Q723 K729 Y730Q722-R726 WeakPolarHBondContact O-CB 3.33Å; Q722-R726 VanDerWaalsContact O-CG 3.23Å; Q722-R726 WeakPolarHBondContact O-CG 3.48Å; Q722-R726 PolarHBondContact O-N 3.38Å; Q722-R726 VanDerWaalsContact OE1-NH2 3.16Å; Q723-R726 PolarHBondContact O-N 3.22Å; R726-K729 PolarHBondContact O-N 3.34Å; R726-Y730 HydrophobicContact CB-CE2 4.22Å; R726-Y730 WeakPolarHBondContact O-CD2 3.48Å; R726-Y730 PolarHBondContact O-N 3.47Å
727A97.4Very high97Very high60 Ų60100.2 Ų100.250%0.49648%0.477SS..Hα-helixtrans-61.5-45.1177.100000112.1Q723 I724 K729 Y730 H731Q723-A727 WeakPolarHBondContact O-CB 3.39Å; Q723-A727 PolarHBondContact O-N 3.04Å; I724-A727 PolarHBondContact O-N 3.4Å; A727-K729 VanDerWaalsContact C-N 3.34Å; A727-K729 PolarHBondContact O-N 2.99Å; A727-Y730 PolarHBondContact O-N 3.27Å; A727-H731 WeakPolarHBondContact O-CB 3.5Å; A727-H731 PolarHBondContact O-N 2.92Å
728K96.9Very high97.1Very high149 Ų14997.9 Ų97.965%0.64847%0.465SS*.Hα-helixtrans-60.9-40.8173.9-76.1-172.7175.8-163.70112.2I724 H731 S732I724-K728 HydrophobicContact CG2-CD 4.25Å; I724-K728 HydrophobicContact CG2-CG 4.44Å; I724-K728 WeakPolarHBondContact O-CB 3.46Å; I724-K728 WeakPolarHBondContact O-CG 3.24Å; I724-K728 PolarHBondContact O-N 2.9Å; K728-H731 PolarHBondContact O-N 3.13Å; K728-S732 PolarHBondContact O-N 3.14Å; K728-S732 PolarHBondContact O-OG 3.15Å
729K97.6Very high97.1Very high125 Ų12599.2 Ų99.254%0.54347%0.467SS..Hα-helixtrans-63.3-50.2174.2179.5171.9175.4174.80111.7A725 R726 A727 H731 S732 D733A725-K729 WeakPolarHBondContact O-CB 3.36Å; A725-K729 PolarHBondContact O-N 2.97Å; R726-K729 PolarHBondContact O-N 3.34Å; A727-K729 VanDerWaalsContact C-N 3.34Å; A727-K729 PolarHBondContact O-N 2.99Å; K729-H731 PolarHBondContact O-N 3.49Å; K729-S732 WeakPolarHBondContact CA-OG 3.39Å; K729-S732 PolarHBondContact O-N 3.33Å; K729-S732 VanDerWaalsContact O-N 3.15Å; K729-S732 PolarHBondContact O-OG 3.45Å; K729-D733 WeakPolarHBondContact CE-OD2 3.47Å; K729-D733 WeakPolarHBondContact CG-OD2 3.48Å; K729-D733 IonicContact NZ-OD2 3.3Å; K729-D733 VanDerWaalsContact O-CB 3.3Å; K729-D733 WeakPolarHBondContact O-CB 3.35Å; K729-D733 PolarHBondContact O-N 2.83Å; K729-D733 VanDerWaalsContact O-OD1 3.11Å
730Y97.9Very high97.1Very high170 Ų17096 Ų9667%0.66746%0.459SS*.Hα-helixtrans-58.6-37.4178.2-67.9-51.1000112.1R726 A727 Y734R726-Y730 HydrophobicContact CB-CE2 4.22Å; R726-Y730 WeakPolarHBondContact O-CD2 3.48Å; R726-Y730 PolarHBondContact O-N 3.47Å; A727-Y730 PolarHBondContact O-N 3.27Å; Y730-Y734 WeakPolarHBondContact O-CB 3.31Å; Y730-Y734 PolarHBondContact O-N 2.95Å
731H98.1Very high97.2Very high76 Ų76101 Ų10135%0.35247%0.474SS..Hα-helixtrans-65.8-46.5173.9-176-103000113A324 A727 K728 K729 H735A324-H731 PolarHBondContact O-NE2 2.86Å; A324-H731 VanDerWaalsContact O-NE2 3.13Å; A727-H731 WeakPolarHBondContact O-CB 3.5Å; A727-H731 PolarHBondContact O-N 2.92Å; K728-H731 PolarHBondContact O-N 3.13Å; K729-H731 PolarHBondContact O-N 3.49Å; H731-H735 AromaticContact CD2-CD2 3.9Å; H731-H735 AromaticContact CE1-CD2 3.38Å; H731-H735 PolarHBondContact CE1-CD2 2.93Å; H731-H735 AromaticContact ND1-CD2 3.79Å; H731-H735 AromaticContact NE2-CD2 3.46Å; H731-H735 PolarHBondContact NE2-CD2 3.31Å; H731-H735 PolarHBondContact O-CD2 3.06Å; H731-H735 PolarHBondContact O-N 2.84Å
732S97.3Very high97.2Very high55 Ų5596.7 Ų96.739%0.38546%0.464SS..Hα-helixtrans-63.6-44.2176.657.20000112.1K728 K729 H735 V736K728-S732 PolarHBondContact O-N 3.14Å; K728-S732 PolarHBondContact O-OG 3.15Å; K729-S732 WeakPolarHBondContact CA-OG 3.39Å; K729-S732 PolarHBondContact O-N 3.33Å; K729-S732 VanDerWaalsContact O-N 3.15Å; K729-S732 PolarHBondContact O-OG 3.45Å; S732-H735 PolarHBondContact O-N 3.44Å; S732-V736 WeakPolarHBondContact O-CG2 3.17Å; S732-V736 PolarHBondContact O-N 3.36Å
733D97.3Very high97.2Very high56 Ų5696.5 Ų96.530%0.29946%0.464SS..Hα-helixtrans-66.7-42-177.7-65.48.2000110.4K729 V736 Q737K729-D733 WeakPolarHBondContact CE-OD2 3.47Å; K729-D733 WeakPolarHBondContact CG-OD2 3.48Å; K729-D733 IonicContact NZ-OD2 3.3Å; K729-D733 VanDerWaalsContact O-CB 3.3Å; K729-D733 WeakPolarHBondContact O-CB 3.35Å; K729-D733 PolarHBondContact O-N 2.83Å; K729-D733 VanDerWaalsContact O-OD1 3.11Å; D733-V736 PolarHBondContact O-N 3.33Å; D733-Q737 WeakPolarHBondContact O-CB 3.5Å; D733-Q737 VanDerWaalsContact O-CG 3.28Å; D733-Q737 WeakPolarHBondContact O-CG 3.49Å; D733-Q737 PolarHBondContact O-N 3.39Å
734Y98.1Very high97.2Very high77 Ų77100.4 Ų100.430%0.30247%0.474SS..Hα-helixtrans-59.3-47.9172.8178.1-92.5000111.6L321 E323 Y730 V736 Q737 L738L321-Y734 HydrophobicContact CD2-CE2 3.82Å; E323-Y734 HydrophobicContact CG-CE1 3.71Å; E323-Y734 WeakPolarHBondContact OE1-CE1 3.42Å; Y730-Y734 WeakPolarHBondContact O-CB 3.31Å; Y730-Y734 PolarHBondContact O-N 2.95Å; Y734-V736 VanDerWaalsContact C-N 3.32Å; Y734-V736 PolarHBondContact O-N 3.06Å; Y734-Q737 PolarHBondContact O-N 3.31Å; Y734-L738 HydrophobicContact CE1-CD2 4.09Å; Y734-L738 WeakPolarHBondContact O-CB 3.31Å; Y734-L738 PolarHBondContact O-N 2.89Å
735H97.6Very high97.2Very high25 Ų2597 Ų9712%0.11646%0.461CS..Hα-helixtrans-64.7-33.3177.4-87.1-57.8000113.6E323 H731 S732 R739E323-H735 IonicContact OE1-CE1 3Å; E323-H735 PolarHBondContact OE1-CE1 3.15Å; E323-H735 VanDerWaalsContact OE1-CE1 3.3Å; E323-H735 IonicContact OE1-ND1 2.66Å; E323-H735 IonicContact OE1-NE2 2.72Å; E323-H735 PolarHBondContact OE1-NE2 2.93Å; E323-H735 IonicContact OE2-NE2 2.71Å; H731-H735 AromaticContact CD2-CD2 3.9Å; H731-H735 AromaticContact CE1-CD2 3.38Å; H731-H735 PolarHBondContact CE1-CD2 2.93Å; H731-H735 AromaticContact ND1-CD2 3.79Å; H731-H735 AromaticContact NE2-CD2 3.46Å; H731-H735 PolarHBondContact NE2-CD2 3.31Å; H731-H735 PolarHBondContact O-CD2 3.06Å; H731-H735 PolarHBondContact O-N 2.84Å; S732-H735 PolarHBondContact O-N 3.44Å; H735-R739 WeakPolarHBondContact O-CB 3.34Å; H735-R739 WeakPolarHBondContact O-CG 3.38Å; H735-R739 PolarHBondContact O-N 2.8Å; H735-R739 PolarHBondContact O-NH1 3.3Å
736V98Very high97.2Very high79 Ų79101 Ų10148%0.47946%0.463SS..Hα-helixtrans-67.5-45.2172.11700000110.6S732 D733 Y734 R739 A740S732-V736 WeakPolarHBondContact O-CG2 3.17Å; S732-V736 PolarHBondContact O-N 3.36Å; D733-V736 PolarHBondContact O-N 3.33Å; Y734-V736 VanDerWaalsContact C-N 3.32Å; Y734-V736 PolarHBondContact O-N 3.06Å; V736-R739 PolarHBondContact O-N 3.2Å; V736-A740 VanDerWaalsContact O-CB 3.31Å; V736-A740 WeakPolarHBondContact O-CB 3.33Å; V736-A740 PolarHBondContact O-N 2.88Å
737Q97.4Very high97.1Very high135 Ų13597 Ų9763%0.63146%0.456SS*.Hα-helixtrans-63.7-40.8177.1-72174.927.200112.4D733 Y734 A740 R741D733-Q737 WeakPolarHBondContact O-CB 3.5Å; D733-Q737 VanDerWaalsContact O-CG 3.28Å; D733-Q737 WeakPolarHBondContact O-CG 3.49Å; D733-Q737 PolarHBondContact O-N 3.39Å; Y734-Q737 PolarHBondContact O-N 3.31Å; Q737-A740 PolarHBondContact O-N 2.41Å; Q737-R741 WeakPolarHBondContact O-CB 3.3Å; Q737-R741 PolarHBondContact O-N 3.41Å
738L96.6Very high97.2Very high51 Ų51100.5 Ų100.527%0.26746%0.46SS..Hα-helixtrans-65-47.7176.5-177.758.1000111E323 Y734 A740 R741 M742E323-L738 WeakPolarHBondContact OE1-CD2 3.47Å; Y734-L738 HydrophobicContact CE1-CD2 4.09Å; Y734-L738 WeakPolarHBondContact O-CB 3.31Å; Y734-L738 PolarHBondContact O-N 2.89Å; L738-A740 PolarHBondContact O-N 3.3Å; L738-R741 WeakPolarHBondContact O-CB 3.36Å; L738-R741 PolarHBondContact O-N 3.01Å; L738-M742 HydrophobicContact CD1-CG 4.4Å; L738-M742 WeakPolarHBondContact O-CG 3.48Å; L738-M742 PolarHBondContact O-N 3.46Å
739R96.8Very high97.2Very high132 Ų13298.6 Ų98.650%0.49845%0.453SS..Hα-helixtrans-58.3-45.9173-75.7-167.3-60.3-86.75.1111.9H735 V736 R741 M742 M743H735-R739 WeakPolarHBondContact O-CB 3.34Å; H735-R739 WeakPolarHBondContact O-CG 3.38Å; H735-R739 PolarHBondContact O-N 2.8Å; H735-R739 PolarHBondContact O-NH1 3.3Å; V736-R739 PolarHBondContact O-N 3.2Å; R739-R741 VanDerWaalsContact C-N 3.3Å; R739-R741 PolarHBondContact O-N 3.46Å; R739-M742 PolarHBondContact O-N 3.38Å; R739-M743 WeakPolarHBondContact O-CG 3.47Å; R739-M743 PolarHBondContact O-N 3.46Å
740A96.4Very high97.1Very high39 Ų3997.1 Ų97.132%0.32245%0.448SS..Hα-helixtrans-62-36.6177.100000112.4V736 Q737 L738 R744V736-A740 VanDerWaalsContact O-CB 3.31Å; V736-A740 WeakPolarHBondContact O-CB 3.33Å; V736-A740 PolarHBondContact O-N 2.88Å; Q737-A740 PolarHBondContact O-N 2.41Å; L738-A740 PolarHBondContact O-N 3.3Å; A740-R744 WeakPolarHBondContact O-CB 3.49Å; A740-R744 WeakPolarHBondContact O-CD 3.37Å; A740-R744 WeakPolarHBondContact O-CG 3.5Å; A740-R744 PolarHBondContact O-N 2.82Å
741R97.9Very high97.1Very high187 Ų18796.3 Ų96.371%0.70644%0.444SS*.Hα-helixtrans-66.7-43.6173.7-177.7177.7177.7169.9-0.3111.9Q737 L738 R739 R744 A745Q737-R741 WeakPolarHBondContact O-CB 3.3Å; Q737-R741 PolarHBondContact O-N 3.41Å; L738-R741 WeakPolarHBondContact O-CB 3.36Å; L738-R741 PolarHBondContact O-N 3.01Å; R739-R741 VanDerWaalsContact C-N 3.3Å; R739-R741 PolarHBondContact O-N 3.46Å; R741-R744 PolarHBondContact O-N 3.35Å; R741-A745 PolarHBondContact O-N 3.08Å
742M96.8Very high97.1Very high103 Ų10397.9 Ų97.951%0.50745%0.453SS..Hα-helixtrans-67.4-40.6178.1-66.3-54.6-67.700112L738 R739 A745 R746L738-M742 HydrophobicContact CD1-CG 4.4Å; L738-M742 WeakPolarHBondContact O-CG 3.48Å; L738-M742 PolarHBondContact O-N 3.46Å; R739-M742 PolarHBondContact O-N 3.38Å; M742-A745 WeakPolarHBondContact O-CB 3.39Å; M742-A745 PolarHBondContact O-N 3.02Å; M742-A745 VanDerWaalsContact O-N 3.13Å; M742-R746 PolarHBondContact O-N 3.49Å
743M95.8Very high97.1Very high102 Ų102102.2 Ų102.250%0.50247%0.465SS..Hα-helixtrans-62.7-42.7172-67.2-56.1-65.100111.5R739 A745 R746 T747R739-M743 WeakPolarHBondContact O-CG 3.47Å; R739-M743 PolarHBondContact O-N 3.46Å; M743-A745 PolarHBondContact O-N 3.49Å; M743-R746 PolarHBondContact O-N 2.93Å; M743-T747 PolarHBondContact O-N 3.28Å; M743-T747 PolarHBondContact O-OG1 3Å; M743-T747 VanDerWaalsContact O-OG1 3.11Å
744R96.8Very high97.2Very high184 Ų184105.7 Ų105.769%0.69448%0.477SS*.Hα-helixtrans-64.9-20.7173.5-72.9168-177.5-177.10.9113.9A740 R741 K748A740-R744 WeakPolarHBondContact O-CB 3.49Å; A740-R744 WeakPolarHBondContact O-CD 3.37Å; A740-R744 WeakPolarHBondContact O-CG 3.5Å; A740-R744 PolarHBondContact O-N 2.82Å; R741-R744 PolarHBondContact O-N 3.35Å; R744-K748 WeakPolarHBondContact O-CD 3.43Å; R744-K748 VanDerWaalsContact O-CG 3.27Å; R744-K748 WeakPolarHBondContact O-CG 3.45Å
745A96.4Very high97.2Very high29 Ų29106.9 Ų106.924%0.2449%0.485CS..Hα-helixtrans-78.1-52.6170.900000110.1R741 M742 M743 T747 K748 E749R741-A745 PolarHBondContact O-N 3.08Å; M742-A745 WeakPolarHBondContact O-CB 3.39Å; M742-A745 PolarHBondContact O-N 3.02Å; M742-A745 VanDerWaalsContact O-N 3.13Å; M743-A745 PolarHBondContact O-N 3.49Å; A745-T747 PolarHBondContact O-N 2.9Å; A745-K748 CarbonylContact O-C 3.59Å; A745-K748 WeakPolarHBondContact O-CA 3.44Å; A745-K748 WeakPolarHBondContact O-CB 3.19Å; A745-K748 PolarHBondContact O-N 3.16Å; A745-E749 WeakPolarHBondContact O-CG 3.26Å; A745-E749 PolarHBondContact O-N 3.23Å
746R96.1Very high97.2Very high143 Ų143110.1 Ų110.154%0.5451%0.507SS..Hα-helixtrans-52.7-50.1175.3-69.9178.7176.7-174.6-4.3112.6M742 M743 K748 E749 E750M742-R746 PolarHBondContact O-N 3.49Å; M743-R746 PolarHBondContact O-N 2.93Å; R746-K748 PolarHBondContact O-N 2.91Å; R746-K748 VanDerWaalsContact O-N 3.11Å; R746-E749 CarbonylContact O-C 3.6Å; R746-E749 WeakPolarHBondContact O-CA 3.27Å; R746-E749 WeakPolarHBondContact O-CB 3.13Å; R746-E749 PolarHBondContact O-N 3.46Å; R746-E750 WeakPolarHBondContact O-CB 3.31Å; R746-E750 VanDerWaalsContact O-CG 3.24Å; R746-E750 WeakPolarHBondContact O-CG 3.38Å; R746-E750 PolarHBondContact O-N 2.88Å
747T96.8Very high97.2Very high61 Ų61112.1 Ų112.137%0.37451%0.509SS..Hα-helixtrans-67.8-12.4177.3-49.20000114.3M743 A745 E750 R751M743-T747 PolarHBondContact O-N 3.28Å; M743-T747 PolarHBondContact O-OG1 3Å; M743-T747 VanDerWaalsContact O-OG1 3.11Å; A745-T747 PolarHBondContact O-N 2.9Å; T747-E750 WeakPolarHBondContact CA-OE2 3.14Å; T747-R751 PolarHBondContact O-NH1 2.94Å
748K97.6Very high97.3Very high133 Ų133111.3 Ų111.358%0.57851%0.505SS*.Hα-helixtrans-85.5-44.4166.1-74.9174.6177.9-169.30111.1R744 A745 R746 R751 M752R744-K748 WeakPolarHBondContact O-CD 3.43Å; R744-K748 VanDerWaalsContact O-CG 3.27Å; R744-K748 WeakPolarHBondContact O-CG 3.45Å; A745-K748 CarbonylContact O-C 3.59Å; A745-K748 WeakPolarHBondContact O-CA 3.44Å; A745-K748 WeakPolarHBondContact O-CB 3.19Å; A745-K748 PolarHBondContact O-N 3.16Å; R746-K748 PolarHBondContact O-N 2.91Å; R746-K748 VanDerWaalsContact O-N 3.11Å; K748-R751 PolarHBondContact O-N 3.43Å; K748-R751 VanDerWaalsContact O-N 3.16Å; K748-M752 WeakPolarHBondContact O-CG 3.43Å; K748-M752 PolarHBondContact O-N 3.35Å
749E96.9Very high97.3Very high109 Ų109113.3 Ų113.351%0.50951%0.513SS..Hα-helixtrans-59.3-46.8175.9-70.3149.1-158.900111.1A745 R746 R751 M752 F753A745-E749 WeakPolarHBondContact O-CG 3.26Å; A745-E749 PolarHBondContact O-N 3.23Å; R746-E749 CarbonylContact O-C 3.6Å; R746-E749 WeakPolarHBondContact O-CA 3.27Å; R746-E749 WeakPolarHBondContact O-CB 3.13Å; R746-E749 PolarHBondContact O-N 3.46Å; E749-R751 VanDerWaalsContact C-N 3.32Å; E749-R751 PolarHBondContact O-N 3.25Å; E749-M752 HydrophobicContact CG-CE 4.11Å; E749-M752 PolarHBondContact O-N 3.44Å; E749-F753 WeakPolarHBondContact O-CB 3.4Å; E749-F753 PolarHBondContact O-N 2.87Å
750E96.9Very high97.4Very high93 Ų93108.5 Ų108.544%0.43551%0.505SS..Hα-helixtrans-56-40.3171.3-70.1156.6-150.500112.7R746 T747 K754R746-E750 WeakPolarHBondContact O-CB 3.31Å; R746-E750 VanDerWaalsContact O-CG 3.24Å; R746-E750 WeakPolarHBondContact O-CG 3.38Å; R746-E750 PolarHBondContact O-N 2.88Å; T747-E750 WeakPolarHBondContact CA-OE2 3.14Å; E750-K754 WeakPolarHBondContact O-CB 3.27Å; E750-K754 WeakPolarHBondContact O-CG 3.38Å; E750-K754 PolarHBondContact O-N 3.13Å
751R97.4Very high97.5Very high153 Ų153109.2 Ų109.258%0.57750%0.503SS*.Hα-helixtrans-70.7-43.7177.5-172.9-175-65.296.83.2111.4T747 K748 E749 F753 K754 Q755T747-R751 PolarHBondContact O-NH1 2.94Å; K748-R751 PolarHBondContact O-N 3.43Å; K748-R751 VanDerWaalsContact O-N 3.16Å; E749-R751 VanDerWaalsContact C-N 3.32Å; E749-R751 PolarHBondContact O-N 3.25Å; R751-F753 VanDerWaalsContact C-N 3.31Å; R751-K754 PolarHBondContact O-N 2.8Å; R751-Q755 WeakPolarHBondContact O-CB 3.45Å; R751-Q755 PolarHBondContact O-N 2.99Å
752M97.3Very high97.5Very high110 Ų110106.5 Ų106.554%0.54250%0.498SS..Hα-helixtrans-63.9-38.7176.1-67.4-177.4-57.500110.9K748 E749 Q755 V756K748-M752 WeakPolarHBondContact O-CG 3.43Å; K748-M752 PolarHBondContact O-N 3.35Å; E749-M752 HydrophobicContact CG-CE 4.11Å; E749-M752 PolarHBondContact O-N 3.44Å; M752-Q755 PolarHBondContact O-N 2.63Å; M752-V756 WeakPolarHBondContact O-CB 3.33Å; M752-V756 VanDerWaalsContact O-CG2 3.31Å; M752-V756 WeakPolarHBondContact O-CG2 3.41Å; M752-V756 PolarHBondContact O-N 3.43Å
753F98.3Very high97.6Very high146 Ų146106.5 Ų106.564%0.6450%0.504SS*.Hα-helixtrans-62.9-47.1174178.9-95.8000112.1E749 R751 Q755 V756 F757E749-F753 WeakPolarHBondContact O-CB 3.4Å; E749-F753 PolarHBondContact O-N 2.87Å; R751-F753 VanDerWaalsContact C-N 3.31Å; F753-Q755 PolarHBondContact O-N 2.69Å; F753-V756 PolarHBondContact O-N 3.4Å; F753-F757 WeakPolarHBondContact O-CB 3.34Å; F753-F757 PolarHBondContact O-N 2.69Å
754K98.2Very high97.6Very high129 Ų129107.7 Ų107.756%0.56151%0.508SS*.Hα-helixtrans-59.1-45.5175.4-75.6175.8-179.8-175.40111.9E750 R751 F757 E758E750-K754 WeakPolarHBondContact O-CB 3.27Å; E750-K754 WeakPolarHBondContact O-CG 3.38Å; E750-K754 PolarHBondContact O-N 3.13Å; R751-K754 PolarHBondContact O-N 2.8Å; K754-F757 PolarHBondContact O-N 3.36Å; K754-E758 WeakPolarHBondContact O-CB 3.48Å; K754-E758 VanDerWaalsContact O-CG 3.3Å; K754-E758 WeakPolarHBondContact O-CG 3.32Å; K754-E758 PolarHBondContact O-N 3.17Å
755Q98.3Very high97.7Very high102 Ų102103.9 Ų103.948%0.47750%0.497SS..Hα-helixtrans-58.7-49.9175-175.4-171.5-27.800112R751 M752 F753 F757 E758 E759R751-Q755 WeakPolarHBondContact O-CB 3.45Å; R751-Q755 PolarHBondContact O-N 2.99Å; M752-Q755 PolarHBondContact O-N 2.63Å; F753-Q755 PolarHBondContact O-N 2.69Å; Q755-F757 VanDerWaalsContact C-N 3.28Å; Q755-F757 PolarHBondContact O-N 2.8Å; Q755-E758 PolarHBondContact O-N 2.88Å; Q755-E759 WeakPolarHBondContact CG-OE1 3.38Å; Q755-E759 PolarHBondContact NE2-OE1 3.38Å; Q755-E759 WeakPolarHBondContact O-CB 3.35Å; Q755-E759 WeakPolarHBondContact O-CG 3.49Å; Q755-E759 PolarHBondContact O-N 3.38Å
756V98.3Very high97.8Very high92 Ų92104.7 Ų104.756%0.55850%0.504SS*.Hα-helixtrans-65-31.9179.6170.20000112M752 F753 G760M752-V756 WeakPolarHBondContact O-CB 3.33Å; M752-V756 VanDerWaalsContact O-CG2 3.31Å; M752-V756 WeakPolarHBondContact O-CG2 3.41Å; M752-V756 PolarHBondContact O-N 3.43Å; F753-V756 PolarHBondContact O-N 3.4Å; V756-G760 PolarHBondContact O-N 3.35Å
757F98.2Very high97.9Very high121 Ų121105.9 Ų105.953%0.53151%0.508SS..Hα-helixtrans-70.3-42173.3-179.7-103.5000112.2F753 K754 Q755 G760 L761F753-F757 WeakPolarHBondContact O-CB 3.34Å; F753-F757 PolarHBondContact O-N 2.69Å; K754-F757 PolarHBondContact O-N 3.36Å; Q755-F757 VanDerWaalsContact C-N 3.28Å; Q755-F757 PolarHBondContact O-N 2.8Å; F757-G760 PolarHBondContact O-N 2.91Å; F757-L761 HydrophobicContact CD1-CD1 4Å; F757-L761 HydrophobicContact CE1-CD1 3.5Å; F757-L761 HydrophobicContact CE1-CG 4.22Å; F757-L761 HydrophobicContact CZ-CD1 3.89Å; F757-L761 HydrophobicContact CZ-CG 4.26Å; F757-L761 WeakPolarHBondContact O-CG 3.46Å; F757-L761 PolarHBondContact O-N 3.49Å
758E98.4Very high97.9Very high118 Ų118107.2 Ų107.255%0.55151%0.513SS*.Hα-helixtrans-61.4-49.2173.3-73.7162.2-155.900111K754 Q755 G760 L761 E762K754-E758 WeakPolarHBondContact O-CB 3.48Å; K754-E758 VanDerWaalsContact O-CG 3.3Å; K754-E758 WeakPolarHBondContact O-CG 3.32Å; K754-E758 PolarHBondContact O-N 3.17Å; Q755-E758 PolarHBondContact O-N 2.88Å; E758-G760 VanDerWaalsContact C-N 3.32Å; E758-G760 PolarHBondContact O-N 2.97Å; E758-L761 PolarHBondContact O-N 3.33Å; E758-L761 VanDerWaalsContact O-N 3.17Å; E758-E762 WeakPolarHBondContact O-CG 3.37Å; E758-E762 PolarHBondContact O-N 3.35Å
759E98.2Very high98Very high93 Ų93108.3 Ų108.344%0.43551%0.513SS..Hα-helixtrans-56.5-43.5172.8-72171.8-168.100111.7Q755 L761 E762 V763Q755-E759 WeakPolarHBondContact CG-OE1 3.38Å; Q755-E759 PolarHBondContact NE2-OE1 3.38Å; Q755-E759 WeakPolarHBondContact O-CB 3.35Å; Q755-E759 WeakPolarHBondContact O-CG 3.49Å; Q755-E759 PolarHBondContact O-N 3.38Å; E759-L761 PolarHBondContact O-N 2.85Å; E759-E762 PolarHBondContact O-N 3.06Å; E759-V763 WeakPolarHBondContact O-CG2 3.42Å; E759-V763 PolarHBondContact O-N 2.87Å
760G98.4Very high98Very high32 Ų32109.6 Ų109.633%0.3352%0.519SS..Hα-helixtrans-61.4-42.4175.400000113.3V756 F757 E758 V763 Q764V756-G760 PolarHBondContact O-N 3.35Å; F757-G760 PolarHBondContact O-N 2.91Å; E758-G760 VanDerWaalsContact C-N 3.32Å; E758-G760 PolarHBondContact O-N 2.97Å; G760-V763 PolarHBondContact O-N 3.36Å; G760-Q764 WeakPolarHBondContact O-CG 3.46Å; G760-Q764 PolarHBondContact O-N 2.9Å
761L98.2Very high98Very high54 Ų54110 Ų11028%0.28352%0.521SS..Hα-helixtrans-66.7-35.4173.2-73.8176.8000112.1F757 E758 E759 Q764 K765F757-L761 HydrophobicContact CD1-CD1 4Å; F757-L761 HydrophobicContact CE1-CD1 3.5Å; F757-L761 HydrophobicContact CE1-CG 4.22Å; F757-L761 HydrophobicContact CZ-CD1 3.89Å; F757-L761 HydrophobicContact CZ-CG 4.26Å; F757-L761 WeakPolarHBondContact O-CG 3.46Å; F757-L761 PolarHBondContact O-N 3.49Å; E758-L761 PolarHBondContact O-N 3.33Å; E758-L761 VanDerWaalsContact O-N 3.17Å; E759-L761 PolarHBondContact O-N 2.85Å; L761-Q764 PolarHBondContact O-N 3.04Å; L761-K765 WeakPolarHBondContact O-CB 3.36Å; L761-K765 WeakPolarHBondContact O-CD 3.4Å; L761-K765 WeakPolarHBondContact O-CG 3.25Å; L761-K765 PolarHBondContact O-N 3.47Å
762E98.3Very high98.1Very high129 Ų129111.8 Ų111.860%0.60353%0.528SS*.Hα-helixtrans-65.9-41.3174.7-72.1-161155.800112.3E758 E759 K765 A766E758-E762 WeakPolarHBondContact O-CG 3.37Å; E758-E762 PolarHBondContact O-N 3.35Å; E759-E762 PolarHBondContact O-N 3.06Å; E762-K765 PolarHBondContact O-N 2.79Å; E762-A766 VanDerWaalsContact O-CB 3.29Å; E762-A766 WeakPolarHBondContact O-CB 3.44Å; E762-A766 PolarHBondContact O-N 3.2Å
763V98.3Very high98.1Very high104 Ų104109.3 Ų109.363%0.6352%0.524SS*.Hα-helixtrans-62.1-43.1173.4171.30000111.3E759 G760 A766 R767E759-V763 WeakPolarHBondContact O-CG2 3.42Å; E759-V763 PolarHBondContact O-N 2.87Å; G760-V763 PolarHBondContact O-N 3.36Å; V763-A766 PolarHBondContact O-N 3.44Å; V763-R767 PolarHBondContact O-N 2.91Å
764Q96.9Very high98.1Very high126 Ų126109 Ų10959%0.58952%0.52SS*.Hα-helixtrans-62.4-46.2174.3-70.5-179.11600112G760 L761 A766 R767 L768G760-Q764 WeakPolarHBondContact O-CG 3.46Å; G760-Q764 PolarHBondContact O-N 2.9Å; L761-Q764 PolarHBondContact O-N 3.04Å; Q764-A766 VanDerWaalsContact C-N 3.32Å; Q764-A766 PolarHBondContact O-N 2.99Å; Q764-R767 PolarHBondContact O-N 3.32Å; Q764-L768 WeakPolarHBondContact O-CG 3.28Å; Q764-L768 PolarHBondContact O-N 2.81Å
765K98Very high98.1Very high104 Ų104105 Ų10545%0.45251%0.511SS..Hα-helixtrans-61.3-38.9175.4-70.8162.3-172.7169.20111.5L761 E762 L768 R769L761-K765 WeakPolarHBondContact O-CB 3.36Å; L761-K765 WeakPolarHBondContact O-CD 3.4Å; L761-K765 WeakPolarHBondContact O-CG 3.25Å; L761-K765 PolarHBondContact O-N 3.47Å; E762-K765 PolarHBondContact O-N 2.79Å; K765-L768 PolarHBondContact O-N 2.89Å; K765-R769 VanDerWaalsContact O-CG 3.29Å; K765-R769 WeakPolarHBondContact O-CG 3.33Å; K765-R769 PolarHBondContact O-N 2.8Å
766A98.1Very high98.1Very high46 Ų46107.3 Ų107.338%0.3852%0.52SS..Hα-helixtrans-64-48.5176.400000111.6E762 V763 Q764 L768 R769 E770E762-A766 VanDerWaalsContact O-CB 3.29Å; E762-A766 WeakPolarHBondContact O-CB 3.44Å; E762-A766 PolarHBondContact O-N 3.2Å; V763-A766 PolarHBondContact O-N 3.44Å; Q764-A766 VanDerWaalsContact C-N 3.32Å; Q764-A766 PolarHBondContact O-N 2.99Å; A766-L768 VanDerWaalsContact C-N 3.3Å; A766-L768 PolarHBondContact O-N 3.21Å; A766-R769 WeakPolarHBondContact O-CB 3.45Å; A766-R769 PolarHBondContact O-N 2.85Å; A766-E770 WeakPolarHBondContact O-CB 3.36Å; A766-E770 PolarHBondContact O-N 2.88Å
767R98.2Very high98.1Very high169 Ų169108.9 Ų108.964%0.63852%0.521SS*.Hα-helixtrans-58.6-38.9175.5-170.3-180-176.5-166.21112.7V763 Q764 E770 Q771V763-R767 PolarHBondContact O-N 2.91Å; Q764-R767 PolarHBondContact O-N 3.32Å; R767-E770 PolarHBondContact O-N 3.43Å; R767-Q771 WeakPolarHBondContact O-CB 3.38Å; R767-Q771 WeakPolarHBondContact O-CG 3.44Å; R767-Q771 PolarHBondContact O-N 3.48Å
768L98.1Very high98.1Very high89 Ų89105.8 Ų105.847%0.46651%0.508SS..Hα-helixtrans-69.1-35.4174.6-71.4171.6000112.8Q764 K765 A766 R772Q764-L768 WeakPolarHBondContact O-CG 3.28Å; Q764-L768 PolarHBondContact O-N 2.81Å; K765-L768 PolarHBondContact O-N 2.89Å; A766-L768 VanDerWaalsContact C-N 3.3Å; A766-L768 PolarHBondContact O-N 3.21Å; L768-R772 WeakPolarHBondContact O-CB 3.46Å; L768-R772 WeakPolarHBondContact O-CD 3.49Å; L768-R772 WeakPolarHBondContact O-CG 3.46Å; L768-R772 PolarHBondContact O-N 3.44Å; L768-R772 VanDerWaalsContact O-N 3.13Å
769R98.3Very high98Very high156 Ų156109 Ų10959%0.58952%0.515SS*.Hα-helixtrans-66-43.6171.9-69.6171.6-164.5121-9.3111.1K765 A766 R772 A773K765-R769 VanDerWaalsContact O-CG 3.29Å; K765-R769 WeakPolarHBondContact O-CG 3.33Å; K765-R769 PolarHBondContact O-N 2.8Å; A766-R769 WeakPolarHBondContact O-CB 3.45Å; A766-R769 PolarHBondContact O-N 2.85Å; R769-R772 PolarHBondContact O-N 3.44Å; R769-A773 WeakPolarHBondContact O-CB 3.28Å; R769-A773 PolarHBondContact O-N 2.82Å
770E98.3Very high97.9Very high135 Ų135108.6 Ų108.663%0.63151%0.513SS*.Hα-helixtrans-60.5-49.2176.9-177.6-177.2-151.700111.6A766 R767 R772 A773 Y774A766-E770 WeakPolarHBondContact O-CB 3.36Å; A766-E770 PolarHBondContact O-N 2.88Å; R767-E770 PolarHBondContact O-N 3.43Å; E770-R772 VanDerWaalsContact C-N 3.31Å; E770-R772 PolarHBondContact O-N 3.43Å; E770-A773 WeakPolarHBondContact O-CB 3.43Å; E770-A773 PolarHBondContact O-N 3.39Å; E770-A773 VanDerWaalsContact O-N 3.12Å; E770-Y774 WeakPolarHBondContact O-CB 3.25Å; E770-Y774 PolarHBondContact O-N 3.15Å
771Q97.5Very high97.9Very high102 Ų102110.5 Ų110.548%0.47751%0.514SS..Hα-helixtrans-59.2-40.3175.2-74.9177.3-25.800112.7R767 A775R767-Q771 WeakPolarHBondContact O-CB 3.38Å; R767-Q771 WeakPolarHBondContact O-CG 3.44Å; R767-Q771 PolarHBondContact O-N 3.48Å; Q771-A775 WeakPolarHBondContact O-CB 2.83Å; Q771-A775 PolarHBondContact O-N 3.41Å
772R98.1Very high97.8Very high191 Ų191114 Ų11472%0.72153%0.528SS*.Hα-helixtrans-68.4-36.7175-72170.6-177.9-166.80.5112.2L768 R769 E770 K776L768-R772 WeakPolarHBondContact O-CB 3.46Å; L768-R772 WeakPolarHBondContact O-CD 3.49Å; L768-R772 WeakPolarHBondContact O-CG 3.46Å; L768-R772 PolarHBondContact O-N 3.44Å; L768-R772 VanDerWaalsContact O-N 3.13Å; R769-R772 PolarHBondContact O-N 3.44Å; E770-R772 VanDerWaalsContact C-N 3.31Å; E770-R772 PolarHBondContact O-N 3.43Å; R772-K776 WeakPolarHBondContact O-CB 3.24Å; R772-K776 PolarHBondContact O-N 3Å
773A98.3Very high97.8Very high57 Ų57113.6 Ų113.647%0.47153%0.526SS..Hα-helixtrans-66.4-48.9175.600000111.1R769 E770 A775 K776 E777R769-A773 WeakPolarHBondContact O-CB 3.28Å; R769-A773 PolarHBondContact O-N 2.82Å; E770-A773 WeakPolarHBondContact O-CB 3.43Å; E770-A773 PolarHBondContact O-N 3.39Å; E770-A773 VanDerWaalsContact O-N 3.12Å; A773-A775 PolarHBondContact O-N 2.98Å; A773-K776 CarbonylContact O-C 3.59Å; A773-K776 WeakPolarHBondContact O-CA 3.35Å; A773-K776 WeakPolarHBondContact O-CB 3.3Å; A773-K776 PolarHBondContact O-N 2.87Å; A773-K776 VanDerWaalsContact O-N 3.08Å; A773-E777 WeakPolarHBondContact O-CB 3.35Å; A773-E777 PolarHBondContact O-N 2.77Å
774Y98.5Very high97.8Very high139 Ų139111 Ų11155%0.54551%0.509SS..Hα-helixtrans-58.7-43.9174.9177.3-105.8000112.2E770 K776 E777 Q778E770-Y774 WeakPolarHBondContact O-CB 3.25Å; E770-Y774 PolarHBondContact O-N 3.15Å; Y774-K776 VanDerWaalsContact C-N 3.29Å; Y774-K776 PolarHBondContact O-N 3.01Å; Y774-E777 PolarHBondContact O-N 3.32Å; Y774-Q778 HydrophobicContact CD1-CG 4.43Å; Y774-Q778 HydrophobicContact CD2-CG 4.32Å; Y774-Q778 HydrophobicContact CE1-CG 3.98Å; Y774-Q778 HydrophobicContact CE2-CG 3.84Å; Y774-Q778 WeakPolarHBondContact O-CG 3.43Å; Y774-Q778 PolarHBondContact O-N 3.47Å
775A98.2Very high97.8Very high45 Ų45110.3 Ų110.337%0.37250%0.504SS..Hα-helixtrans-64.7-31.3175.500000113.1Q771 A773 R779Q771-A775 WeakPolarHBondContact O-CB 2.83Å; Q771-A775 PolarHBondContact O-N 3.41Å; A773-A775 PolarHBondContact O-N 2.98Å; A775-R779 WeakPolarHBondContact O-CD 3.15Å; A775-R779 VanDerWaalsContact O-CG 3.26Å; A775-R779 WeakPolarHBondContact O-CG 3.37Å; A775-R779 PolarHBondContact O-N 2.91Å
776K98.2Very high97.7Very high152 Ų152110.7 Ų110.766%0.66151%0.507SS*.Hα-helixtrans-72.9-43.1171.8-177.2-176.1176.2-175.20111.4R772 A773 Y774 R779 Q780R772-K776 WeakPolarHBondContact O-CB 3.24Å; R772-K776 PolarHBondContact O-N 3Å; A773-K776 CarbonylContact O-C 3.59Å; A773-K776 WeakPolarHBondContact O-CA 3.35Å; A773-K776 WeakPolarHBondContact O-CB 3.3Å; A773-K776 PolarHBondContact O-N 2.87Å; A773-K776 VanDerWaalsContact O-N 3.08Å; Y774-K776 VanDerWaalsContact C-N 3.29Å; Y774-K776 PolarHBondContact O-N 3.01Å; K776-R779 PolarHBondContact O-N 3.37Å; K776-Q780 PolarHBondContact O-N 3.42Å
777E98.1Very high97.7Very high124 Ų124114.1 Ų114.158%0.57951%0.51SS*.Hα-helixtrans-60.8-48.3178.2-178.7173.1-142.400111.1A773 Y774 R779 Q780 E781A773-E777 WeakPolarHBondContact O-CB 3.35Å; A773-E777 PolarHBondContact O-N 2.77Å; Y774-E777 PolarHBondContact O-N 3.32Å; E777-R779 VanDerWaalsContact C-N 3.34Å; E777-R779 PolarHBondContact O-N 3.06Å; E777-Q780 CarbonylContact O-C 3.59Å; E777-Q780 WeakPolarHBondContact O-CA 3.43Å; E777-Q780 WeakPolarHBondContact O-CB 3.29Å; E777-Q780 PolarHBondContact O-N 2.97Å; E777-E781 WeakPolarHBondContact O-CB 3.3Å; E777-E781 PolarHBondContact O-N 3.33Å
778Q97.1Very high97.7Very high56 Ų56109.3 Ų109.326%0.26250%0.497SS..Hα-helixtrans-58.9-42.2176-72.9-61.3-68.800112.4Y774 Q780 E781 H782Y774-Q778 HydrophobicContact CD1-CG 4.43Å; Y774-Q778 HydrophobicContact CD2-CG 4.32Å; Y774-Q778 HydrophobicContact CE1-CG 3.98Å; Y774-Q778 HydrophobicContact CE2-CG 3.84Å; Y774-Q778 WeakPolarHBondContact O-CG 3.43Å; Y774-Q778 PolarHBondContact O-N 3.47Å; Q778-Q780 VanDerWaalsContact C-N 3.35Å; Q778-Q780 PolarHBondContact O-N 3.49Å; Q778-E781 PolarHBondContact NE2-OE2 3.17Å; Q778-E781 PolarHBondContact O-N 2.84Å; Q778-H782 PolarHBondContact O-CD2 3.02Å; Q778-H782 PolarHBondContact O-N 2.75Å
779R96.7Very high97.7Very high185 Ų185111 Ų11170%0.69850%0.502SS*.Hα-helixtrans-61.1-43.2173.1-70.5169.4-174.1-172.51111.7A775 K776 E777 H782 Q783A775-R779 WeakPolarHBondContact O-CD 3.15Å; A775-R779 VanDerWaalsContact O-CG 3.26Å; A775-R779 WeakPolarHBondContact O-CG 3.37Å; A775-R779 PolarHBondContact O-N 2.91Å; K776-R779 PolarHBondContact O-N 3.37Å; E777-R779 VanDerWaalsContact C-N 3.34Å; E777-R779 PolarHBondContact O-N 3.06Å; R779-H782 PolarHBondContact O-N 3.12Å; R779-Q783 WeakPolarHBondContact O-CG 3.46Å; R779-Q783 PolarHBondContact O-N 2.99Å
780Q97.1Very high97.7Very high85 Ų85107.1 Ų107.140%0.39749%0.493SS..Hα-helixtrans-66.8-37176.9-168.863.165.500112K776 E777 Q778 Q783 N784K776-Q780 PolarHBondContact O-N 3.42Å; E777-Q780 CarbonylContact O-C 3.59Å; E777-Q780 WeakPolarHBondContact O-CA 3.43Å; E777-Q780 WeakPolarHBondContact O-CB 3.29Å; E777-Q780 PolarHBondContact O-N 2.97Å; Q778-Q780 VanDerWaalsContact C-N 3.35Å; Q778-Q780 PolarHBondContact O-N 3.49Å; Q780-Q783 PolarHBondContact O-N 3.02Å; Q780-N784 PolarHBondContact NE2-OD1 2.89Å; Q780-N784 WeakPolarHBondContact O-CB 3.15Å; Q780-N784 PolarHBondContact O-N 3.06Å; Q780-N784 PolarHBondContact O-ND2 3.39Å; Q780-N784 PolarHBondContact O-OD1 2.85Å
781E97.6Very high97.7Very high73 Ų73104.9 Ų104.934%0.34148%0.482SS..Hα-helixtrans-66.4-41.6178.1-157.9-165155.700111E777 Q778 N784 K785E777-E781 WeakPolarHBondContact O-CB 3.3Å; E777-E781 PolarHBondContact O-N 3.33Å; Q778-E781 PolarHBondContact NE2-OE2 3.17Å; Q778-E781 PolarHBondContact O-N 2.84Å; E781-N784 PolarHBondContact O-N 3.41Å; E781-K785 VanDerWaalsContact CD-NZ 3.27Å; E781-K785 WeakPolarHBondContact O-CB 3.38Å; E781-K785 WeakPolarHBondContact O-CD 3.41Å; E781-K785 VanDerWaalsContact O-CG 3.25Å; E781-K785 WeakPolarHBondContact O-CG 3.45Å; E781-K785 PolarHBondContact O-N 3.03Å; E781-K785 WeakPolarHBondContact OE1-CE 3.29Å; E781-K785 IonicContact OE1-NZ 3.97Å; E781-K785 PolarHBondContact OE1-NZ 3.47Å; E781-K785 IonicContact OE2-NZ 3.74Å
782H97Very high97.7Very high127 Ų127103.4 Ų103.459%0.58848%0.483SS*.Hα-helixtrans-62.9-43.8171.1-78.2-69.9000112.5Q778 R779 K785 H786Q778-H782 PolarHBondContact O-CD2 3.02Å; Q778-H782 PolarHBondContact O-N 2.75Å; R779-H782 PolarHBondContact O-N 3.12Å; H782-K785 PolarHBondContact O-N 2.85Å; H782-H786 WeakPolarHBondContact O-CB 3.46Å; H782-H786 PolarHBondContact O-N 3.36Å
783Q97.1Very high97.7Very high120 Ų12098.2 Ų98.256%0.56147%0.468SS*.Hα-helixtrans-63.7-41.7175.8-74.8178.7-3.200112.4R779 Q780 H786 R787R779-Q783 WeakPolarHBondContact O-CG 3.46Å; R779-Q783 PolarHBondContact O-N 2.99Å; Q780-Q783 PolarHBondContact O-N 3.02Å; Q783-H786 PolarHBondContact O-N 3.37Å; Q783-R787 WeakPolarHBondContact O-CB 3.44Å; Q783-R787 PolarHBondContact O-N 3.33Å
784N97.8Very high97.6Very high50 Ų5099.6 Ų99.627%0.26747%0.465SS..Hα-helixtrans-62.1-52.8175.8-69.1-7.7000110Q780 E781 H786 R787 D788Q780-N784 PolarHBondContact NE2-OD1 2.89Å; Q780-N784 WeakPolarHBondContact O-CB 3.15Å; Q780-N784 PolarHBondContact O-N 3.06Å; Q780-N784 PolarHBondContact O-ND2 3.39Å; Q780-N784 PolarHBondContact O-OD1 2.85Å; E781-N784 PolarHBondContact O-N 3.41Å; N784-H786 VanDerWaalsContact C-N 3.26Å; N784-H786 PolarHBondContact O-N 3.01Å; N784-R787 PolarHBondContact O-N 3.45Å; N784-R787 VanDerWaalsContact O-N 3.08Å; N784-D788 WeakPolarHBondContact O-CB 3.47Å; N784-D788 PolarHBondContact O-N 3.33Å
785K97.3Very high97.6Very high112 Ų11296.8 Ų96.849%0.48746%0.459SS..Hα-helixtrans-53.1-42.2176.7-73.9165.8-176.61670112.7E781 H782 Q789E781-K785 VanDerWaalsContact CD-NZ 3.27Å; E781-K785 WeakPolarHBondContact O-CB 3.38Å; E781-K785 WeakPolarHBondContact O-CD 3.41Å; E781-K785 VanDerWaalsContact O-CG 3.25Å; E781-K785 WeakPolarHBondContact O-CG 3.45Å; E781-K785 PolarHBondContact O-N 3.03Å; E781-K785 WeakPolarHBondContact OE1-CE 3.29Å; E781-K785 IonicContact OE1-NZ 3.97Å; E781-K785 PolarHBondContact OE1-NZ 3.47Å; E781-K785 IonicContact OE2-NZ 3.74Å; H782-K785 PolarHBondContact O-N 2.85Å; K785-Q789 WeakPolarHBondContact O-CB 3.27Å; K785-Q789 PolarHBondContact O-N 3Å
786H97.4Very high97.6Very high111 Ų111100.1 Ų100.151%0.51446%0.463SS..Hα-helixtrans-68.2-44.8177.1-178.850.1000112.7H782 Q783 N784 D788 Q789 I790H782-H786 WeakPolarHBondContact O-CB 3.46Å; H782-H786 PolarHBondContact O-N 3.36Å; Q783-H786 PolarHBondContact O-N 3.37Å; N784-H786 VanDerWaalsContact C-N 3.26Å; N784-H786 PolarHBondContact O-N 3.01Å; H786-D788 VanDerWaalsContact C-N 3.34Å; H786-D788 PolarHBondContact O-N 2.8Å; H786-Q789 WeakPolarHBondContact O-CB 3.23Å; H786-Q789 PolarHBondContact O-N 2.88Å; H786-I790 WeakPolarHBondContact O-CG1 3.26Å; H786-I790 PolarHBondContact O-N 3.43Å
787R98.1Very high97.5Very high118 Ų11898.8 Ų98.845%0.44546%0.455SS..Hα-helixtrans-61.4-43174.9-177.3-162.865.4-155-8.4111.6Q783 N784 Q789 I790 Q791Q783-R787 WeakPolarHBondContact O-CB 3.44Å; Q783-R787 PolarHBondContact O-N 3.33Å; N784-R787 PolarHBondContact O-N 3.45Å; N784-R787 VanDerWaalsContact O-N 3.08Å; R787-Q789 VanDerWaalsContact C-N 3.32Å; R787-I790 CarbonylContact O-C 3.56Å; R787-I790 WeakPolarHBondContact O-CB 3.44Å; R787-I790 PolarHBondContact O-N 3.3Å; R787-I790 VanDerWaalsContact O-N 3.17Å; R787-Q791 HydrophobicContact CG-CG 4.44Å; R787-Q791 WeakPolarHBondContact O-CB 3.45Å; R787-Q791 WeakPolarHBondContact O-CG 3.13Å; R787-Q791 PolarHBondContact O-N 3.25Å
788D97.8Very high97.5Very high69 Ų6997.4 Ų97.437%0.36945%0.447SS..Hα-helixtrans-73-28.9-176.5-54.9-14.5000110.4N784 H786 S792N784-D788 WeakPolarHBondContact O-CB 3.47Å; N784-D788 PolarHBondContact O-N 3.33Å; H786-D788 VanDerWaalsContact C-N 3.34Å; H786-D788 PolarHBondContact O-N 2.8Å; D788-S792 WeakPolarHBondContact O-CB 3.33Å; D788-S792 PolarHBondContact O-N 3Å; D788-S792 PolarHBondContact O-OG 2.91Å
789Q97.9Very high97.5Very high123 Ų12399.8 Ų99.858%0.57546%0.461SS*.Hα-helixtrans-65.7-44.3165.7-174.2-176.21400112.1K785 H786 R787 S792 M793K785-Q789 WeakPolarHBondContact O-CB 3.27Å; K785-Q789 PolarHBondContact O-N 3Å; H786-Q789 WeakPolarHBondContact O-CB 3.23Å; H786-Q789 PolarHBondContact O-N 2.88Å; R787-Q789 VanDerWaalsContact C-N 3.32Å; Q789-S792 WeakPolarHBondContact CA-OG 3.49Å; Q789-S792 PolarHBondContact O-OG 2.91Å; Q789-S792 VanDerWaalsContact O-OG 3.05Å; Q789-M793 WeakPolarHBondContact O-CB 3.48Å; Q789-M793 WeakPolarHBondContact O-CG 3.42Å; Q789-M793 PolarHBondContact O-N 3.14Å; Q789-M793 VanDerWaalsContact O-N 3.07Å
790I97.9Very high97.5Very high76 Ų7695.3 Ų95.339%0.3945%0.448SS..Hα-helixtrans-62.2-46.4174.1-69.5167.2000110.4H786 R787 S792 M793 E794H786-I790 WeakPolarHBondContact O-CG1 3.26Å; H786-I790 PolarHBondContact O-N 3.43Å; R787-I790 CarbonylContact O-C 3.56Å; R787-I790 WeakPolarHBondContact O-CB 3.44Å; R787-I790 PolarHBondContact O-N 3.3Å; R787-I790 VanDerWaalsContact O-N 3.17Å; I790-S792 PolarHBondContact O-N 3.29Å; I790-M793 PolarHBondContact O-N 3.04Å; I790-E794 HydrophobicContact CG2-CG 4.26Å; I790-E794 WeakPolarHBondContact O-CB 3.26Å; I790-E794 WeakPolarHBondContact O-CG 3.39Å; I790-E794 PolarHBondContact O-N 2.84Å
791Q98.1Very high97.6Very high88 Ų8898.2 Ų98.241%0.41146%0.46SS..Hα-helixtrans-65.1-39.2-179.1-74179.2-4.100112.9R787 N795R787-Q791 HydrophobicContact CG-CG 4.44Å; R787-Q791 WeakPolarHBondContact O-CB 3.45Å; R787-Q791 WeakPolarHBondContact O-CG 3.13Å; R787-Q791 PolarHBondContact O-N 3.25Å; Q791-N795 VanDerWaalsContact O-CB 3.31Å; Q791-N795 WeakPolarHBondContact O-CB 3.39Å; Q791-N795 PolarHBondContact O-N 2.88Å; Q791-N795 PolarHBondContact O-ND2 2.82Å; Q791-N795 PolarHBondContact O-OD1 3.12Å
792S97.8Very high97.6Very high70 Ų7098.1 Ų98.149%0.4947%0.467SS..Hα-helixtrans-67.4-36.3174.148.40000112.4D788 Q789 I790 N795 Y796D788-S792 WeakPolarHBondContact O-CB 3.33Å; D788-S792 PolarHBondContact O-N 3Å; D788-S792 PolarHBondContact O-OG 2.91Å; Q789-S792 WeakPolarHBondContact CA-OG 3.49Å; Q789-S792 PolarHBondContact O-OG 2.91Å; Q789-S792 VanDerWaalsContact O-OG 3.05Å; I790-S792 PolarHBondContact O-N 3.29Å; S792-N795 PolarHBondContact O-N 2.94Å; S792-Y796 PolarHBondContact O-N 2.84Å
793M97.3Very high97.6Very high82 Ų8296.6 Ų96.640%0.40446%0.463SS..Hα-helixtrans-70-43.5172.9-74.5-95.556.700112.8Q789 I790 N795 Y796 Y797Q789-M793 WeakPolarHBondContact O-CB 3.48Å; Q789-M793 WeakPolarHBondContact O-CG 3.42Å; Q789-M793 PolarHBondContact O-N 3.14Å; Q789-M793 VanDerWaalsContact O-N 3.07Å; I790-M793 PolarHBondContact O-N 3.04Å; M793-N795 VanDerWaalsContact C-N 3.28Å; M793-N795 PolarHBondContact O-N 3.13Å; M793-Y796 HydrophobicContact CE-CD1 3.72Å; M793-Y796 HydrophobicContact CE-CG 4.15Å; M793-Y796 PolarHBondContact O-N 2.94Å; M793-Y797 HydrophobicContact CE-CE2 4.08Å; M793-Y797 WeakPolarHBondContact O-CD2 3.46Å; M793-Y797 PolarHBondContact O-N 3.08Å
794E97.1Very high97.6Very high87 Ų8795.3 Ų95.341%0.40746%0.46SS..Hα-helixtrans-55.5-45.1171.3-82.4-175.6-145.600111.3I790 Y797 K798I790-E794 HydrophobicContact CG2-CG 4.26Å; I790-E794 WeakPolarHBondContact O-CB 3.26Å; I790-E794 WeakPolarHBondContact O-CG 3.39Å; I790-E794 PolarHBondContact O-N 2.84Å; E794-Y797 PolarHBondContact O-N 2.83Å; E794-K798 WeakPolarHBondContact O-CB 3.38Å; E794-K798 WeakPolarHBondContact O-CG 3.42Å; E794-K798 PolarHBondContact O-N 3.46Å; E794-K798 WeakPolarHBondContact OE2-CE 3.43Å; E794-K798 IonicContact OE2-NZ 2.81Å; E794-K798 PolarHBondContact OE2-NZ 3.45Å
795N97.6Very high97.6Very high80 Ų8095.7 Ų95.743%0.42847%0.47SS..Hα-helixtrans-68.2-42-178.7-68.1-8.1000111.2Q791 S792 M793 Y797 K798 D799Q791-N795 VanDerWaalsContact O-CB 3.31Å; Q791-N795 WeakPolarHBondContact O-CB 3.39Å; Q791-N795 PolarHBondContact O-N 2.88Å; Q791-N795 PolarHBondContact O-ND2 2.82Å; Q791-N795 PolarHBondContact O-OD1 3.12Å; S792-N795 PolarHBondContact O-N 2.94Å; M793-N795 VanDerWaalsContact C-N 3.28Å; M793-N795 PolarHBondContact O-N 3.13Å; N795-Y797 VanDerWaalsContact C-N 3.31Å; N795-Y797 PolarHBondContact O-N 3.21Å; N795-K798 PolarHBondContact O-N 3.15Å; N795-K798 VanDerWaalsContact O-N 3.16Å; N795-K798 PolarHBondContact OD1-NZ 3.24Å; N795-D799 VanDerWaalsContact O-CG 3.23Å; N795-D799 PolarHBondContact O-N 2.88Å
796Y97.9Very high97.6Very high114 Ų11496.1 Ų96.145%0.44747%0.473SS..Hα-helixtrans-53-47.3169.5170.6-99.2000112.1S792 M793 D799 Q800S792-Y796 PolarHBondContact O-N 2.84Å; M793-Y796 HydrophobicContact CE-CD1 3.72Å; M793-Y796 HydrophobicContact CE-CG 4.15Å; M793-Y796 PolarHBondContact O-N 2.94Å; Y796-D799 PolarHBondContact O-N 2.87Å; Y796-Q800 HydrophobicContact CE1-CG 4.06Å; Y796-Q800 HydrophobicContact CE2-CG 4.17Å; Y796-Q800 WeakPolarHBondContact O-CG 3.38Å; Y796-Q800 PolarHBondContact O-N 2.9Å
797Y97.5Very high97.6Very high125 Ų12593.9 Ų93.949%0.4947%0.468SS..Hα-helixtrans-69-37.5177.4-69.8-60.5000113M793 E794 N795 D799 Q800 F801M793-Y797 HydrophobicContact CE-CE2 4.08Å; M793-Y797 WeakPolarHBondContact O-CD2 3.46Å; M793-Y797 PolarHBondContact O-N 3.08Å; E794-Y797 PolarHBondContact O-N 2.83Å; N795-Y797 VanDerWaalsContact C-N 3.31Å; N795-Y797 PolarHBondContact O-N 3.21Å; Y797-D799 VanDerWaalsContact C-N 3.29Å; Y797-D799 PolarHBondContact O-N 3.27Å; Y797-Q800 PolarHBondContact O-N 3.37Å; Y797-F801 WeakPolarHBondContact O-CB 3.37Å; Y797-F801 WeakPolarHBondContact O-CD2 3.27Å; Y797-F801 WeakPolarHBondContact O-CG 3.26Å; Y797-F801 PolarHBondContact O-N 2.75Å
798K97.6Very high97.5Very high95 Ų9591.7 Ų91.741%0.41346%0.464SS..Hα-helixtrans-60.3-38.9173-70.6162.1-160.2159.50111.4E794 N795 F801 S802E794-K798 WeakPolarHBondContact O-CB 3.38Å; E794-K798 WeakPolarHBondContact O-CG 3.42Å; E794-K798 PolarHBondContact O-N 3.46Å; E794-K798 WeakPolarHBondContact OE2-CE 3.43Å; E794-K798 IonicContact OE2-NZ 2.81Å; E794-K798 PolarHBondContact OE2-NZ 3.45Å; N795-K798 PolarHBondContact O-N 3.15Å; N795-K798 VanDerWaalsContact O-N 3.16Å; N795-K798 PolarHBondContact OD1-NZ 3.24Å; K798-F801 PolarHBondContact O-N 3.22Å; K798-S802 VanDerWaalsContact O-CB 3.29Å; K798-S802 WeakPolarHBondContact O-CB 3.29Å; K798-S802 PolarHBondContact O-N 2.84Å; K798-S802 PolarHBondContact O-OG 2.88Å
799D97.8Very high97.5Very high105 Ų10591 Ų9156%0.56147%0.468SS*.Hα-helixtrans-68.3-43.9176.2-65.2-19.4000111.2N795 Y796 Y797 F801 S802 L803N795-D799 VanDerWaalsContact O-CG 3.23Å; N795-D799 PolarHBondContact O-N 2.88Å; Y796-D799 PolarHBondContact O-N 2.87Å; Y797-D799 VanDerWaalsContact C-N 3.29Å; Y797-D799 PolarHBondContact O-N 3.27Å; D799-F801 PolarHBondContact O-N 3.44Å; D799-S802 PolarHBondContact O-N 3.33Å; D799-L803 PolarHBondContact O-N 3.4Å
800Q96.4Very high97.5Very high92 Ų9289.7 Ų89.743%0.4346%0.464SS..Hα-helixtrans-59.7-44.8173.3-67.1-56.6-65.700112.1Y796 Y797 S802 L804Y796-Q800 HydrophobicContact CE1-CG 4.06Å; Y796-Q800 HydrophobicContact CE2-CG 4.17Å; Y796-Q800 WeakPolarHBondContact O-CG 3.38Å; Y796-Q800 PolarHBondContact O-N 2.9Å; Y797-Q800 PolarHBondContact O-N 3.37Å; Q800-S802 VanDerWaalsContact C-N 3.34Å; Q800-L804 WeakPolarHBondContact O-CB 3.3Å; Q800-L804 PolarHBondContact O-N 2.84Å
801F97.9Very high97.4Very high145 Ų14591.6 Ų91.664%0.63647%0.471SS*.Hα-helixtrans-67.2-33.1175.8-73.9-55.9000112.6Y797 K798 D799 L804 A805Y797-F801 WeakPolarHBondContact O-CB 3.37Å; Y797-F801 WeakPolarHBondContact O-CD2 3.27Å; Y797-F801 WeakPolarHBondContact O-CG 3.26Å; Y797-F801 PolarHBondContact O-N 2.75Å; K798-F801 PolarHBondContact O-N 3.22Å; D799-F801 PolarHBondContact O-N 3.44Å; F801-L804 PolarHBondContact O-N 3.41Å; F801-A805 VanDerWaalsContact O-CB 3.26Å; F801-A805 WeakPolarHBondContact O-CB 3.3Å; F801-A805 PolarHBondContact O-N 3.47Å
802S97.9Very high97.4Very high71 Ų7196.2 Ų96.250%0.49749%0.485SS..Hα-helixtrans-68.6-44.2176.7-61.20000111.3K798 D799 Q800 L804 A805 E806K798-S802 VanDerWaalsContact O-CB 3.29Å; K798-S802 WeakPolarHBondContact O-CB 3.29Å; K798-S802 PolarHBondContact O-N 2.84Å; K798-S802 PolarHBondContact O-OG 2.88Å; D799-S802 PolarHBondContact O-N 3.33Å; Q800-S802 VanDerWaalsContact C-N 3.34Å; S802-L804 VanDerWaalsContact C-N 3.34Å; S802-L804 PolarHBondContact O-N 2.88Å; S802-A805 PolarHBondContact O-N 2.91Å; S802-E806 WeakPolarHBondContact O-CB 3.33Å; S802-E806 PolarHBondContact O-N 3.14Å
803L96.7Very high97.3Very high96 Ų9699.3 Ų99.350%0.50349%0.492SS..Hα-helixtrans-63.2-38.8174.2-177.564.3000112D799 T807D799-L803 PolarHBondContact O-N 3.4Å; L803-T807 WeakPolarHBondContact O-CG2 3.48Å; L803-T807 PolarHBondContact O-N 2.73Å; L803-T807 PolarHBondContact O-OG1 2.81Å
804L97.4Very high97.3Very high93 Ų9398.6 Ų98.649%0.48749%0.489SS..Hα-helixtrans-68.2-38.2174-175.360.2000112Q800 F801 S802 T807 L808Q800-L804 WeakPolarHBondContact O-CB 3.3Å; Q800-L804 PolarHBondContact O-N 2.84Å; F801-L804 PolarHBondContact O-N 3.41Å; S802-L804 VanDerWaalsContact C-N 3.34Å; S802-L804 PolarHBondContact O-N 2.88Å; L804-T807 WeakPolarHBondContact CA-OG1 3.2Å; L804-T807 PolarHBondContact O-OG1 3.45Å; L804-T807 VanDerWaalsContact O-OG1 3.09Å; L804-L808 HydrophobicContact CD1-CD1 4.23Å; L804-L808 HydrophobicContact CD1-CG 4.32Å; L804-L808 HydrophobicContact CG-CD1 4.05Å; L804-L808 VanDerWaalsContact O-CB 3.29Å; L804-L808 WeakPolarHBondContact O-CB 3.28Å; L804-L808 WeakPolarHBondContact O-CD1 3.44Å; L804-L808 WeakPolarHBondContact O-CG 3.39Å; L804-L808 PolarHBondContact O-N 2.93Å
805A97.7Very high97.3Very high58 Ų5899 Ų9948%0.47949%0.494SS..Hα-helixtrans-67.5-38.8175.300000112.2F801 S802 A809F801-A805 VanDerWaalsContact O-CB 3.26Å; F801-A805 WeakPolarHBondContact O-CB 3.3Å; F801-A805 PolarHBondContact O-N 3.47Å; S802-A805 PolarHBondContact O-N 2.91Å; A805-A809 VanDerWaalsContact O-CB 3.27Å; A805-A809 WeakPolarHBondContact O-CB 3.36Å; A805-A809 PolarHBondContact O-N 3.4Å
806E97.1Very high97.2Very high120 Ų120100.4 Ų100.456%0.56150%0.497SS*.Hα-helixtrans-65.9-49.3175.2-177.2174.8-162.700111.5S802 L808 A809 I810S802-E806 WeakPolarHBondContact O-CB 3.33Å; S802-E806 PolarHBondContact O-N 3.14Å; E806-L808 PolarHBondContact O-N 3.36Å; E806-A809 WeakPolarHBondContact O-CB 3.34Å; E806-A809 PolarHBondContact O-N 2.9Å; E806-A809 VanDerWaalsContact O-N 3.07Å; E806-I810 HydrophobicContact CG-CD1 4.04Å; E806-I810 WeakPolarHBondContact O-CG1 3.38Å; E806-I810 PolarHBondContact O-N 3.29Å
807T97.3Very high97.2Very high65 Ų6598.7 Ų98.740%0.39950%0.499SS..Hα-helixtrans-61-42.8176.847.60000112L803 L804 A809 I810 E811L803-T807 WeakPolarHBondContact O-CG2 3.48Å; L803-T807 PolarHBondContact O-N 2.73Å; L803-T807 PolarHBondContact O-OG1 2.81Å; L804-T807 WeakPolarHBondContact CA-OG1 3.2Å; L804-T807 PolarHBondContact O-OG1 3.45Å; L804-T807 VanDerWaalsContact O-OG1 3.09Å; T807-A809 VanDerWaalsContact C-N 3.32Å; T807-A809 PolarHBondContact O-N 2.91Å; T807-I810 PolarHBondContact O-N 2.68Å; T807-E811 PolarHBondContact O-N 3.39Å
808L97.3Very high97.2Very high72 Ų7299.5 Ų99.538%0.37750%0.501SS..Hα-helixtrans-65.2-31.6172.9-72.3171.5000113.2L804 E806 R812L804-L808 HydrophobicContact CD1-CD1 4.23Å; L804-L808 HydrophobicContact CD1-CG 4.32Å; L804-L808 HydrophobicContact CG-CD1 4.05Å; L804-L808 VanDerWaalsContact O-CB 3.29Å; L804-L808 WeakPolarHBondContact O-CB 3.28Å; L804-L808 WeakPolarHBondContact O-CD1 3.44Å; L804-L808 WeakPolarHBondContact O-CG 3.39Å; L804-L808 PolarHBondContact O-N 2.93Å; E806-L808 PolarHBondContact O-N 3.36Å; L808-R812 WeakPolarHBondContact O-CB 3.27Å; L808-R812 WeakPolarHBondContact O-CD 3.45Å; L808-R812 WeakPolarHBondContact O-CG 3.44Å; L808-R812 PolarHBondContact O-N 2.88Å
809A97.6Very high97.1Very high54 Ų54102 Ų10245%0.44651%0.512SS..Hα-helixtrans-69.6-42.3173.900000111.5A805 E806 T807 R812 Q813A805-A809 VanDerWaalsContact O-CB 3.27Å; A805-A809 WeakPolarHBondContact O-CB 3.36Å; A805-A809 PolarHBondContact O-N 3.4Å; E806-A809 WeakPolarHBondContact O-CB 3.34Å; E806-A809 PolarHBondContact O-N 2.9Å; E806-A809 VanDerWaalsContact O-N 3.07Å; T807-A809 VanDerWaalsContact C-N 3.32Å; T807-A809 PolarHBondContact O-N 2.91Å; A809-R812 PolarHBondContact O-N 3.4Å; A809-Q813 WeakPolarHBondContact O-CB 3.45Å; A809-Q813 PolarHBondContact O-N 3.2Å
810I97.1Very high97.1Very high95 Ų95102 Ų10249%0.48751%0.507SS..Hα-helixtrans-60-50173.1-67.4164.8000110E806 T807 R812 Q813 D814E806-I810 HydrophobicContact CG-CD1 4.04Å; E806-I810 WeakPolarHBondContact O-CG1 3.38Å; E806-I810 PolarHBondContact O-N 3.29Å; T807-I810 PolarHBondContact O-N 2.68Å; I810-R812 VanDerWaalsContact C-N 3.34Å; I810-R812 PolarHBondContact O-N 3.46Å; I810-Q813 PolarHBondContact O-N 2.92Å; I810-D814 WeakPolarHBondContact O-CB 3.46Å; I810-D814 PolarHBondContact O-N 2.95Å
811E96.7Very high97.1Very high116 Ų116100.3 Ų100.354%0.54251%0.508SS..Hα-helixtrans-58.7-42.7177-74.7-163.4147.400112.7T807 D814 I815T807-E811 PolarHBondContact O-N 3.39Å; E811-D814 PolarHBondContact O-N 2.97Å; E811-I815 WeakPolarHBondContact O-CB 3.46Å; E811-I815 WeakPolarHBondContact O-CD1 3.29Å; E811-I815 VanDerWaalsContact O-CG1 3.23Å; E811-I815 WeakPolarHBondContact O-CG1 3.23Å; E811-I815 PolarHBondContact O-N 3.47Å
812R97.1Very high97Very high185 Ų18599.5 Ų99.570%0.69851%0.507SS*.Hα-helixtrans-62.4-42.4175.8-75.7166.9179.5-166.60.7112L808 A809 I810 Q816L808-R812 WeakPolarHBondContact O-CB 3.27Å; L808-R812 WeakPolarHBondContact O-CD 3.45Å; L808-R812 WeakPolarHBondContact O-CG 3.44Å; L808-R812 PolarHBondContact O-N 2.88Å; A809-R812 PolarHBondContact O-N 3.4Å; I810-R812 VanDerWaalsContact C-N 3.34Å; I810-R812 PolarHBondContact O-N 3.46Å; R812-Q816 WeakPolarHBondContact O-CB 3.34Å; R812-Q816 PolarHBondContact O-N 3.17Å
813Q96.9Very high97Very high135 Ų135101.2 Ų101.263%0.63151%0.507SS*.Hα-helixtrans-63.5-43.3175179.1169.4-22.700110.9A809 I810 Q816 V817A809-Q813 WeakPolarHBondContact O-CB 3.45Å; A809-Q813 PolarHBondContact O-N 3.2Å; I810-Q813 PolarHBondContact O-N 2.92Å; Q813-Q816 CarbonylContact O-C 3.44Å; Q813-Q816 WeakPolarHBondContact O-CB 3.44Å; Q813-Q816 PolarHBondContact O-N 3.34Å; Q813-Q816 VanDerWaalsContact O-N 3.15Å; Q813-V817 WeakPolarHBondContact O-CG2 3.22Å; Q813-V817 PolarHBondContact O-N 2.78Å
814D96.9Very high97Very high67 Ų67103.5 Ų103.536%0.35851%0.513SS..Hα-helixtrans-68.6-42.6-178.8-145.163.8000111.9I810 E811 Q816 V817 R818I810-D814 WeakPolarHBondContact O-CB 3.46Å; I810-D814 PolarHBondContact O-N 2.95Å; E811-D814 PolarHBondContact O-N 2.97Å; D814-Q816 VanDerWaalsContact C-N 3.27Å; D814-Q816 PolarHBondContact O-N 3.29Å; D814-V817 PolarHBondContact O-N 2.86Å; D814-V817 VanDerWaalsContact O-N 3.16Å; D814-R818 WeakPolarHBondContact O-CB 3.43Å; D814-R818 WeakPolarHBondContact O-CG 3.3Å; D814-R818 PolarHBondContact O-N 3.45Å; D814-R818 IonicContact OD2-CZ 2.62Å; D814-R818 IonicContact OD2-NE 2.61Å; D814-R818 PolarHBondContact OD2-NE 3.28Å; D814-R818 IonicContact OD2-NH2 3.66Å; D814-R818 PolarHBondContact OD2-NH2 2.71Å
815I96.3Very high97Very high97 Ų97101.9 Ų101.950%0.49751%0.513SS..Hα-helixtrans-57.4-40.7169.3-70.3164.4000110.8E811 R818 K819E811-I815 WeakPolarHBondContact O-CB 3.46Å; E811-I815 WeakPolarHBondContact O-CD1 3.29Å; E811-I815 VanDerWaalsContact O-CG1 3.23Å; E811-I815 WeakPolarHBondContact O-CG1 3.23Å; E811-I815 PolarHBondContact O-N 3.47Å; I815-R818 PolarHBondContact O-N 2.93Å; I815-K819 WeakPolarHBondContact O-CB 3.47Å; I815-K819 PolarHBondContact O-N 3.29Å
816Q97.1Very high96.9Very high108 Ų108104.2 Ų104.251%0.50552%0.517SS..Hα-helixtrans-67.9-37.7177.1-159.6-166.888.900112.1R812 Q813 D814 K820R812-Q816 WeakPolarHBondContact O-CB 3.34Å; R812-Q816 PolarHBondContact O-N 3.17Å; Q813-Q816 CarbonylContact O-C 3.44Å; Q813-Q816 WeakPolarHBondContact O-CB 3.44Å; Q813-Q816 PolarHBondContact O-N 3.34Å; Q813-Q816 VanDerWaalsContact O-N 3.15Å; D814-Q816 VanDerWaalsContact C-N 3.27Å; D814-Q816 PolarHBondContact O-N 3.29Å; Q816-K820 HydrophobicContact CG-CD 4.41Å; Q816-K820 WeakPolarHBondContact O-CB 3.45Å; Q816-K820 WeakPolarHBondContact O-CD 3.4Å; Q816-K820 VanDerWaalsContact O-CG 3.26Å; Q816-K820 WeakPolarHBondContact O-CG 3.35Å; Q816-K820 PolarHBondContact O-N 3.43Å
817V97.2Very high96.9Very high79 Ų79102.2 Ų102.248%0.47951%0.507SS..Hα-helixtrans-65.4-47.6173.3170.20000110.8Q813 D814 K819 K820 A821Q813-V817 WeakPolarHBondContact O-CG2 3.22Å; Q813-V817 PolarHBondContact O-N 2.78Å; D814-V817 PolarHBondContact O-N 2.86Å; D814-V817 VanDerWaalsContact O-N 3.16Å; V817-K819 PolarHBondContact O-N 2.82Å; V817-K820 PolarHBondContact O-N 3.22Å; V817-A821 WeakPolarHBondContact O-CB 3.38Å; V817-A821 PolarHBondContact O-N 2.69Å
818R96.5Very high96.9Very high142 Ų142104.8 Ų104.854%0.53651%0.513SS..Hα-helixtrans-57.3-45.5175.3-66.2167.9-156.1177.44.9111.2D814 I815 A821 Q822D814-R818 WeakPolarHBondContact O-CB 3.43Å; D814-R818 WeakPolarHBondContact O-CG 3.3Å; D814-R818 PolarHBondContact O-N 3.45Å; D814-R818 IonicContact OD2-CZ 2.62Å; D814-R818 IonicContact OD2-NE 2.61Å; D814-R818 PolarHBondContact OD2-NE 3.28Å; D814-R818 IonicContact OD2-NH2 3.66Å; D814-R818 PolarHBondContact OD2-NH2 2.71Å; I815-R818 PolarHBondContact O-N 2.93Å; R818-A821 PolarHBondContact O-N 2.84Å; R818-Q822 WeakPolarHBondContact O-CG 3.46Å; R818-Q822 PolarHBondContact O-N 2.82Å
819K97.3Very high96.8Very high146 Ų146107 Ų10764%0.63552%0.522SS*.Hα-helixtrans-62.1-45.9175.7-174175.6-179.2177.70112.1I815 V817 A821 Q822 E823I815-K819 WeakPolarHBondContact O-CB 3.47Å; I815-K819 PolarHBondContact O-N 3.29Å; V817-K819 PolarHBondContact O-N 2.82Å; K819-A821 VanDerWaalsContact C-N 3.28Å; K819-A821 PolarHBondContact O-N 3.34Å; K819-Q822 PolarHBondContact O-N 2.83Å; K819-E823 WeakPolarHBondContact O-CB 3.5Å; K819-E823 PolarHBondContact O-N 3.34Å
820K97.4Very high96.7Very high107 Ų107110.8 Ų110.847%0.46553%0.529SS..Hα-helixtrans-61.6-34.4174.6-76.1166.3171.7172.90112.2Q816 V817 K824Q816-K820 HydrophobicContact CG-CD 4.41Å; Q816-K820 WeakPolarHBondContact O-CB 3.45Å; Q816-K820 WeakPolarHBondContact O-CD 3.4Å; Q816-K820 VanDerWaalsContact O-CG 3.26Å; Q816-K820 WeakPolarHBondContact O-CG 3.35Å; Q816-K820 PolarHBondContact O-N 3.43Å; V817-K820 PolarHBondContact O-N 3.22Å; K820-K824 WeakPolarHBondContact O-CB 3.43Å; K820-K824 VanDerWaalsContact O-CG 3.28Å; K820-K824 WeakPolarHBondContact O-CG 3.42Å; K820-K824 PolarHBondContact O-N 2.86Å; K820-K824 VanDerWaalsContact O-N 3.08Å
821A96.7Very high96.7Very high55 Ų55112.7 Ų112.746%0.45553%0.53SS..Hα-helixtrans-72.1-44.7175.900000112.2V817 R818 K819 E823 K824 A825V817-A821 WeakPolarHBondContact O-CB 3.38Å; V817-A821 PolarHBondContact O-N 2.69Å; R818-A821 PolarHBondContact O-N 2.84Å; K819-A821 VanDerWaalsContact C-N 3.28Å; K819-A821 PolarHBondContact O-N 3.34Å; A821-E823 VanDerWaalsContact C-N 3.34Å; A821-E823 PolarHBondContact O-N 3.5Å; A821-K824 PolarHBondContact O-N 2.83Å; A821-A825 WeakPolarHBondContact O-CB 3.01Å; A821-A825 PolarHBondContact O-N 3.21Å
822Q95.3Very high96.7Very high129 Ų129111.4 Ų111.460%0.60352%0.524SS*.Hα-helixtrans-58.9-43.9172.9-73.8172.9-14.300111.7R818 K819 A825 L826R818-Q822 WeakPolarHBondContact O-CG 3.46Å; R818-Q822 PolarHBondContact O-N 2.82Å; K819-Q822 PolarHBondContact O-N 2.83Å; Q822-A825 WeakPolarHBondContact O-CB 3.3Å; Q822-A825 PolarHBondContact O-N 2.97Å; Q822-L826 WeakPolarHBondContact O-CG 3.43Å; Q822-L826 PolarHBondContact O-N 3.37Å
823E97.2Very high96.7Very high106 Ų106107.4 Ų107.450%0.49552%0.516SS..Hα-helixtrans-62.3-46176.2-162-159.4138.300111.5K819 A821 A825 L826 Q827K819-E823 WeakPolarHBondContact O-CB 3.5Å; K819-E823 PolarHBondContact O-N 3.34Å; A821-E823 VanDerWaalsContact C-N 3.34Å; A821-E823 PolarHBondContact O-N 3.5Å; E823-A825 VanDerWaalsContact C-N 3.29Å; E823-A825 PolarHBondContact O-N 3.45Å; E823-L826 PolarHBondContact O-N 3.06Å; E823-Q827 WeakPolarHBondContact O-CB 3.44Å; E823-Q827 VanDerWaalsContact O-CG 3.32Å; E823-Q827 WeakPolarHBondContact O-CG 3.31Å; E823-Q827 PolarHBondContact O-N 2.98Å; E823-Q827 PolarHBondContact OE1-NE2 3.35Å
824K96.7Very high96.7Very high145 Ų145107.6 Ų107.663%0.6351%0.511SS*.Hα-helixtrans-58.8-38.1173.9-76.7173.6178.9-176.80112.4K820 A821 Q827 K828K820-K824 WeakPolarHBondContact O-CB 3.43Å; K820-K824 VanDerWaalsContact O-CG 3.28Å; K820-K824 WeakPolarHBondContact O-CG 3.42Å; K820-K824 PolarHBondContact O-N 2.86Å; K820-K824 VanDerWaalsContact O-N 3.08Å; A821-K824 PolarHBondContact O-N 2.83Å; K824-Q827 PolarHBondContact O-N 2.93Å; K824-K828 WeakPolarHBondContact O-CB 3.45Å; K824-K828 PolarHBondContact O-N 3.16Å
825A97.1Very high96.6Very high59 Ų59107 Ų10749%0.48851%0.512SS..Hα-helixtrans-67.4-44.9176.100000112.1A821 Q822 E823 Q827 K828 M829A821-A825 WeakPolarHBondContact O-CB 3.01Å; A821-A825 PolarHBondContact O-N 3.21Å; Q822-A825 WeakPolarHBondContact O-CB 3.3Å; Q822-A825 PolarHBondContact O-N 2.97Å; E823-A825 VanDerWaalsContact C-N 3.29Å; E823-A825 PolarHBondContact O-N 3.45Å; A825-Q827 VanDerWaalsContact C-N 3.35Å; A825-Q827 PolarHBondContact O-N 3.31Å; A825-K828 WeakPolarHBondContact O-CB 3.45Å; A825-K828 PolarHBondContact O-N 3.47Å; A825-K828 VanDerWaalsContact O-N 3.17Å; A825-M829 PolarHBondContact O-N 2.99Å
826L96.9Very high96.6Very high107 Ų107107.6 Ų107.656%0.5651%0.511SS*.Hα-helixtrans-61.5-41.5173.5-72.3169.6000111.8Q822 E823 M829 K830Q822-L826 WeakPolarHBondContact O-CG 3.43Å; Q822-L826 PolarHBondContact O-N 3.37Å; E823-L826 PolarHBondContact O-N 3.06Å; L826-M829 HydrophobicContact CD2-CE 4.21Å; L826-M829 PolarHBondContact O-N 3.03Å; L826-K830 WeakPolarHBondContact O-CB 3.43Å; L826-K830 PolarHBondContact O-N 3.32Å
827Q96.6Very high96.5Very high78 Ų78107.1 Ų107.136%0.36451%0.51SS..Hα-helixtrans-64.1-38.3173.5-70.2-175.521.500112.3E823 K824 A825 K830 R831E823-Q827 WeakPolarHBondContact O-CB 3.44Å; E823-Q827 VanDerWaalsContact O-CG 3.32Å; E823-Q827 WeakPolarHBondContact O-CG 3.31Å; E823-Q827 PolarHBondContact O-N 2.98Å; E823-Q827 PolarHBondContact OE1-NE2 3.35Å; K824-Q827 PolarHBondContact O-N 2.93Å; A825-Q827 VanDerWaalsContact C-N 3.35Å; A825-Q827 PolarHBondContact O-N 3.31Å; Q827-K830 PolarHBondContact O-N 3.31Å; Q827-R831 WeakPolarHBondContact O-CG 3.44Å; Q827-R831 PolarHBondContact O-N 3.36Å; Q827-R831 PolarHBondContact O-NE 3.35Å
828K97.2Very high96.4Very high118 Ų118110 Ų11051%0.51352%0.518SS..Hα-helixtrans-63.4-50.3174.3-177.2175.3-175.7-810110.5K824 A825 K830 R831 E832K824-K828 WeakPolarHBondContact O-CB 3.45Å; K824-K828 PolarHBondContact O-N 3.16Å; A825-K828 WeakPolarHBondContact O-CB 3.45Å; A825-K828 PolarHBondContact O-N 3.47Å; A825-K828 VanDerWaalsContact O-N 3.17Å; K828-K830 VanDerWaalsContact C-N 3.31Å; K828-K830 PolarHBondContact O-N 3.24Å; K828-R831 CarbonylContact O-C 3.57Å; K828-R831 WeakPolarHBondContact O-CA 3.47Å; K828-R831 WeakPolarHBondContact O-CB 3.33Å; K828-R831 PolarHBondContact O-N 3.41Å; K828-E832 VanDerWaalsContact CE-OE1 3.3Å; K828-E832 WeakPolarHBondContact CE-OE1 3.48Å; K828-E832 WeakPolarHBondContact CG-OE1 3.27Å; K828-E832 IonicContact NZ-OE1 2.65Å; K828-E832 PolarHBondContact NZ-OE1 2.96Å; K828-E832 WeakPolarHBondContact O-CG 3.26Å; K828-E832 PolarHBondContact O-N 3.47Å
829M95.3Very high96.4Very high118 Ų118109.1 Ų109.158%0.58152%0.515SS*.Hα-helixtrans-58-40.5175.2-170.2-177.675.900112.1A825 L826 R831 E832 L833A825-M829 PolarHBondContact O-N 2.99Å; L826-M829 HydrophobicContact CD2-CE 4.21Å; L826-M829 PolarHBondContact O-N 3.03Å; M829-R831 VanDerWaalsContact C-N 3.31Å; M829-R831 PolarHBondContact O-N 2.78Å; M829-E832 PolarHBondContact O-N 3.34Å; M829-L833 WeakPolarHBondContact O-CB 3.4Å; M829-L833 PolarHBondContact O-N 3.28Å
830K96.3Very high96.3Very high135 Ų135106.8 Ų106.859%0.58751%0.506SS*.Hα-helixtrans-69-23.2174.7-173.5172.7179.6175.30113.3L826 Q827 K828 R834L826-K830 WeakPolarHBondContact O-CB 3.43Å; L826-K830 PolarHBondContact O-N 3.32Å; Q827-K830 PolarHBondContact O-N 3.31Å; K828-K830 VanDerWaalsContact C-N 3.31Å; K828-K830 PolarHBondContact O-N 3.24Å; K830-R834 WeakPolarHBondContact O-CG 3.15Å; K830-R834 PolarHBondContact O-NE 3.5Å
831R96.1Very high96.1Very high134 Ų134105.8 Ų105.851%0.50651%0.505SS..Hα-helixtrans-79.7-44.2170.2-71.5173.7-130.2150.2-0.3110.8Q827 K828 M829 R834 S835Q827-R831 WeakPolarHBondContact O-CG 3.44Å; Q827-R831 PolarHBondContact O-N 3.36Å; Q827-R831 PolarHBondContact O-NE 3.35Å; K828-R831 CarbonylContact O-C 3.57Å; K828-R831 WeakPolarHBondContact O-CA 3.47Å; K828-R831 WeakPolarHBondContact O-CB 3.33Å; K828-R831 PolarHBondContact O-N 3.41Å; M829-R831 VanDerWaalsContact C-N 3.31Å; M829-R831 PolarHBondContact O-N 2.78Å; R831-R834 PolarHBondContact O-N 3.42Å; R831-S835 WeakPolarHBondContact O-CB 3.43Å; R831-S835 PolarHBondContact O-N 3.43Å
832E96.3Very high95.9Very high90 Ų90104.7 Ų104.742%0.42150%0.499SS..Hα-helixtrans-62.9-41.4177.3-72.4169.7-178.100112.6K828 M829 S835 K836K828-E832 VanDerWaalsContact CE-OE1 3.3Å; K828-E832 WeakPolarHBondContact CE-OE1 3.48Å; K828-E832 WeakPolarHBondContact CG-OE1 3.27Å; K828-E832 IonicContact NZ-OE1 2.65Å; K828-E832 PolarHBondContact NZ-OE1 2.96Å; K828-E832 WeakPolarHBondContact O-CG 3.26Å; K828-E832 PolarHBondContact O-N 3.47Å; M829-E832 PolarHBondContact O-N 3.34Å; E832-S835 PolarHBondContact O-N 3.19Å; E832-K836 WeakPolarHBondContact O-CB 3.38Å; E832-K836 WeakPolarHBondContact O-CG 3.44Å; E832-K836 PolarHBondContact O-N 3.43Å
833L97.2Very high95.7Very high101 Ų101103.7 Ų103.753%0.52949%0.494SS..Hα-helixtrans-62.9-43.3173.9179.861.9000111.6M829 K836 M837M829-L833 WeakPolarHBondContact O-CB 3.4Å; M829-L833 PolarHBondContact O-N 3.28Å; L833-K836 WeakPolarHBondContact O-CB 3.21Å; L833-K836 PolarHBondContact O-N 2.96Å; L833-M837 HydrophobicContact CG-SD 4.34Å; L833-M837 WeakPolarHBondContact O-CG 3.31Å; L833-M837 PolarHBondContact O-N 2.85Å
834R96.4Very high95.5Very high139 Ų139103.7 Ų103.753%0.52550%0.497SS..Hα-helixtrans-64.1-42.9175.4-80.1179.5-70.8171.23.9111.9K830 R831 K836 M837 E838K830-R834 WeakPolarHBondContact O-CG 3.15Å; K830-R834 PolarHBondContact O-NE 3.5Å; R831-R834 PolarHBondContact O-N 3.42Å; R834-K836 VanDerWaalsContact C-N 3.3Å; R834-K836 PolarHBondContact O-N 3.04Å; R834-M837 PolarHBondContact O-N 3.17Å; R834-E838 WeakPolarHBondContact O-CB 3.46Å; R834-E838 PolarHBondContact O-N 3.28Å
835S96.2Very high95Very high54 Ų54102.4 Ų102.438%0.37849%0.493SS..Hα-helixtrans-70.7-21.8176.3-179.20000113.6R831 E832 R839R831-S835 WeakPolarHBondContact O-CB 3.43Å; R831-S835 PolarHBondContact O-N 3.43Å; E832-S835 PolarHBondContact O-N 3.19Å; S835-R839 WeakPolarHBondContact O-CG 3.36Å; S835-R839 PolarHBondContact O-N 3.45Å; S835-R839 PolarHBondContact O-NE 2.82Å; S835-R839 VanDerWaalsContact O-NE 3.12Å
836K96.7Very high94.6Very high110 Ų110105.8 Ų105.848%0.47850%0.497SS..Hα-helixtrans-69.9-56.9165.3-81.5-179.2176.3-169.10110.5E832 L833 R834 E838 R839 E840E832-K836 WeakPolarHBondContact O-CB 3.38Å; E832-K836 WeakPolarHBondContact O-CG 3.44Å; E832-K836 PolarHBondContact O-N 3.43Å; L833-K836 WeakPolarHBondContact O-CB 3.21Å; L833-K836 PolarHBondContact O-N 2.96Å; R834-K836 VanDerWaalsContact C-N 3.3Å; R834-K836 PolarHBondContact O-N 3.04Å; K836-E838 VanDerWaalsContact C-N 3.27Å; K836-E838 PolarHBondContact O-N 2.71Å; K836-R839 CarbonylContact O-C 3.52Å; K836-R839 PolarHBondContact O-N 2.87Å; K836-E840 WeakPolarHBondContact O-CB 3.32Å; K836-E840 WeakPolarHBondContact O-CG 3.38Å; K836-E840 PolarHBondContact O-N 2.95Å
837M94.6Very high94.2Very high97 Ų97105 Ų10548%0.47849%0.492SS..Hα-helixtrans-57.2-38.5178.2-67.4176.170.500112.7L833 R834 E840 I841L833-M837 HydrophobicContact CG-SD 4.34Å; L833-M837 WeakPolarHBondContact O-CG 3.31Å; L833-M837 PolarHBondContact O-N 2.85Å; R834-M837 PolarHBondContact O-N 3.17Å; M837-E840 PolarHBondContact O-N 3.15Å; M837-I841 VanDerWaalsContact O-CB 3.24Å; M837-I841 WeakPolarHBondContact O-CB 3.33Å; M837-I841 WeakPolarHBondContact O-CD1 3.49Å; M837-I841 WeakPolarHBondContact O-CG1 3.32Å; M837-I841 PolarHBondContact O-N 3.39Å
838E95.6Very high93.6Very high139 Ų139105.9 Ų105.965%0.6550%0.499SS*.Hα-helixtrans-65.3-37.7176.8-177.6173.4-145.200112.2R834 K836 G842R834-E838 WeakPolarHBondContact O-CB 3.46Å; R834-E838 PolarHBondContact O-N 3.28Å; K836-E838 VanDerWaalsContact C-N 3.27Å; K836-E838 PolarHBondContact O-N 2.71Å; E838-G842 PolarHBondContact O-N 3.33Å
839R95.2Very high92.8Very high125 Ų125104.3 Ų104.347%0.47250%0.499SS..Hα-helixtrans-74.9-40.6171.9-74.2-177.4-62103.1-0.4112.6S835 K836 I841 G842 E843S835-R839 WeakPolarHBondContact O-CG 3.36Å; S835-R839 PolarHBondContact O-N 3.45Å; S835-R839 PolarHBondContact O-NE 2.82Å; S835-R839 VanDerWaalsContact O-NE 3.12Å; K836-R839 CarbonylContact O-C 3.52Å; K836-R839 PolarHBondContact O-N 2.87Å; R839-I841 VanDerWaalsContact C-N 3.32Å; R839-I841 PolarHBondContact O-N 2.81Å; R839-G842 CarbonylContact O-C 3.58Å; R839-G842 PolarHBondContact O-N 3.38Å; R839-G842 VanDerWaalsContact O-N 3.16Å; R839-E843 VanDerWaalsContact O-CB 3.29Å; R839-E843 WeakPolarHBondContact O-CB 3.33Å; R839-E843 VanDerWaalsContact O-CG 3.23Å; R839-E843 WeakPolarHBondContact O-CG 3.39Å; R839-E843 PolarHBondContact O-N 2.71Å
840E95.8Very high91.8Very high96 Ų96103.5 Ų103.545%0.44949%0.494SS..Hα-helixtrans-61.6-41.3175.1-70.9156.5-156.200110.8K836 M837 E843 L844K836-E840 WeakPolarHBondContact O-CB 3.32Å; K836-E840 WeakPolarHBondContact O-CG 3.38Å; K836-E840 PolarHBondContact O-N 2.95Å; M837-E840 PolarHBondContact O-N 3.15Å; E840-E843 PolarHBondContact O-N 3.42Å; E840-L844 WeakPolarHBondContact O-CB 3.31Å; E840-L844 VanDerWaalsContact O-CG 3.22Å; E840-L844 WeakPolarHBondContact O-CG 3.48Å; E840-L844 PolarHBondContact O-N 2.85Å
841I93.1Very high90.6Very high87 Ų87103.4 Ų103.445%0.44650%0.499SS..Hα-helixtrans-65.4-43.1171.7-70.9163.9000110.8M837 R839 L844 Q845M837-I841 VanDerWaalsContact O-CB 3.24Å; M837-I841 WeakPolarHBondContact O-CB 3.33Å; M837-I841 WeakPolarHBondContact O-CD1 3.49Å; M837-I841 WeakPolarHBondContact O-CG1 3.32Å; M837-I841 PolarHBondContact O-N 3.39Å; R839-I841 VanDerWaalsContact C-N 3.32Å; R839-I841 PolarHBondContact O-N 2.81Å; I841-L844 PolarHBondContact O-N 3.02Å; I841-Q845 HydrophobicContact CG2-CG 4.3Å; I841-Q845 VanDerWaalsContact O-CB 3.28Å; I841-Q845 WeakPolarHBondContact O-CB 3.48Å; I841-Q845 WeakPolarHBondContact O-CG 3.42Å; I841-Q845 PolarHBondContact O-N 3.22Å
842G91.6Very high89.3Confident32 Ų32102.8 Ų102.833%0.3351%0.506SS..Hα-helixtrans-66.3-34.4176.500000113.9E838 R839 K846E838-G842 PolarHBondContact O-N 3.33Å; R839-G842 CarbonylContact O-C 3.58Å; R839-G842 PolarHBondContact O-N 3.38Å; R839-G842 VanDerWaalsContact O-N 3.16Å; G842-K846 VanDerWaalsContact O-CB 3.28Å; G842-K846 WeakPolarHBondContact O-CB 3.27Å; G842-K846 PolarHBondContact O-N 2.86Å
843E92.6Very high87.8Confident108 Ų108102.8 Ų102.851%0.50551%0.509SS..Hα-helixtrans-70.3-44.1174.2-75165.2-15100110.3R839 E840 K846 I847R839-E843 VanDerWaalsContact O-CB 3.29Å; R839-E843 WeakPolarHBondContact O-CB 3.33Å; R839-E843 VanDerWaalsContact O-CG 3.23Å; R839-E843 WeakPolarHBondContact O-CG 3.39Å; R839-E843 PolarHBondContact O-N 2.71Å; E840-E843 PolarHBondContact O-N 3.42Å; E843-K846 PolarHBondContact O-N 3.31Å; E843-I847 VanDerWaalsContact O-CG1 3.29Å; E843-I847 WeakPolarHBondContact O-CG1 3.32Å; E843-I847 PolarHBondContact O-N 3.16Å
844L91.2Very high86.4Confident105 Ų105101.8 Ų101.855%0.5550%0.504SS..Hα-helixtrans-63.8-43.1172.5-72.8168.2000112.4E840 I841 K846 I847 I848E840-L844 WeakPolarHBondContact O-CB 3.31Å; E840-L844 VanDerWaalsContact O-CG 3.22Å; E840-L844 WeakPolarHBondContact O-CG 3.48Å; E840-L844 PolarHBondContact O-N 2.85Å; I841-L844 PolarHBondContact O-N 3.02Å; L844-K846 VanDerWaalsContact C-N 3.32Å; L844-K846 PolarHBondContact O-N 3.22Å; L844-I847 PolarHBondContact O-N 2.95Å; L844-I848 VanDerWaalsContact O-CG1 3.28Å; L844-I848 WeakPolarHBondContact O-CG1 3.46Å; L844-I848 PolarHBondContact O-N 3.29Å
845Q87.2Confident85.1Confident119 Ų119101.5 Ų101.556%0.55651%0.513SS*.Hα-helixtrans-62.3-39.6174.2-78.3173-13.800111.5I841 I848 V849I841-Q845 HydrophobicContact CG2-CG 4.3Å; I841-Q845 VanDerWaalsContact O-CB 3.28Å; I841-Q845 WeakPolarHBondContact O-CB 3.48Å; I841-Q845 WeakPolarHBondContact O-CG 3.42Å; I841-Q845 PolarHBondContact O-N 3.22Å; Q845-I848 PolarHBondContact O-N 2.82Å; Q845-V849 WeakPolarHBondContact O-CG2 3.35Å; Q845-V849 PolarHBondContact O-N 3.08Å
846K89Confident83.9Confident130 Ų130107 Ų10757%0.56553%0.527SS*.Hα-helixtrans-65.1-43.6174.1-172.2-170.7176.6-151.20111.4G842 E843 L844 V849 Q850G842-K846 VanDerWaalsContact O-CB 3.28Å; G842-K846 WeakPolarHBondContact O-CB 3.27Å; G842-K846 PolarHBondContact O-N 2.86Å; E843-K846 PolarHBondContact O-N 3.31Å; L844-K846 VanDerWaalsContact C-N 3.32Å; L844-K846 PolarHBondContact O-N 3.22Å; K846-V849 PolarHBondContact O-N 3.09Å; K846-Q850 HydrophobicContact CG-CG 4.36Å; K846-Q850 WeakPolarHBondContact O-CB 3.42Å; K846-Q850 VanDerWaalsContact O-CG 3.28Å; K846-Q850 WeakPolarHBondContact O-CG 3.35Å; K846-Q850 PolarHBondContact O-N 2.88Å
847I87.2Confident82.7Confident89 Ų89107.8 Ų107.846%0.45653%0.53SS..Hα-helixtrans-60.8-47176.3-69.9162.3000110.1E843 L844 V849 Q850 D851E843-I847 VanDerWaalsContact O-CG1 3.29Å; E843-I847 WeakPolarHBondContact O-CG1 3.32Å; E843-I847 PolarHBondContact O-N 3.16Å; L844-I847 PolarHBondContact O-N 2.95Å; I847-V849 VanDerWaalsContact C-N 3.34Å; I847-V849 PolarHBondContact O-N 3.45Å; I847-Q850 CarbonylContact O-C 3.58Å; I847-Q850 WeakPolarHBondContact O-CA 3.29Å; I847-Q850 PolarHBondContact O-N 3.45Å; I847-D851 WeakPolarHBondContact CG2-OD2 3.38Å; I847-D851 PolarHBondContact O-N 3.43Å
848I84.8Confident81.6Confident97 Ų97108.2 Ų108.250%0.49753%0.531SS..Hα-helixtrans-56-47.9175.4-69162.4000110.8L844 Q845 Q850 D851 D852L844-I848 VanDerWaalsContact O-CG1 3.28Å; L844-I848 WeakPolarHBondContact O-CG1 3.46Å; L844-I848 PolarHBondContact O-N 3.29Å; Q845-I848 PolarHBondContact O-N 2.82Å; I848-Q850 VanDerWaalsContact C-N 3.29Å; I848-Q850 PolarHBondContact O-N 3.06Å; I848-D851 PolarHBondContact O-N 2.92Å; I848-D852 WeakPolarHBondContact CG2-OD2 3.38Å; I848-D852 VanDerWaalsContact O-CB 3.3Å; I848-D852 WeakPolarHBondContact O-CB 3.14Å; I848-D852 PolarHBondContact O-N 3.15Å
849V80.6Confident80.7Confident85 Ų85103.2 Ų103.252%0.51552%0.517SS..Hα-helixtrans-63.5-32.7176.4171.20000112.5Q845 K846 I847 D852 D853Q845-V849 WeakPolarHBondContact O-CG2 3.35Å; Q845-V849 PolarHBondContact O-N 3.08Å; K846-V849 PolarHBondContact O-N 3.09Å; I847-V849 VanDerWaalsContact C-N 3.34Å; I847-V849 PolarHBondContact O-N 3.45Å; V849-D852 CarbonylContact O-C 3.58Å; V849-D853 PolarHBondContact O-N 3.23Å
850Q73.6Confident79.9Confident102 Ų102100.7 Ų100.748%0.47751%0.513SS..Hα-helixtrans-81.4-18.2177.2-68.8-166.1-86.900114.2K846 I847 I848K846-Q850 HydrophobicContact CG-CG 4.36Å; K846-Q850 WeakPolarHBondContact O-CB 3.42Å; K846-Q850 VanDerWaalsContact O-CG 3.28Å; K846-Q850 WeakPolarHBondContact O-CG 3.35Å; K846-Q850 PolarHBondContact O-N 2.88Å; I847-Q850 CarbonylContact O-C 3.58Å; I847-Q850 WeakPolarHBondContact O-CA 3.29Å; I847-Q850 PolarHBondContact O-N 3.45Å; I848-Q850 VanDerWaalsContact C-N 3.29Å; I848-Q850 PolarHBondContact O-N 3.06Å
851D72.7Confident79.1Confident132 Ų132101.2 Ų101.271%0.70652%0.515SS*.Hα-helixtrans-88.5-28.1169.7-69.8-30.8000111.1I847 I848I847-D851 WeakPolarHBondContact CG2-OD2 3.38Å; I847-D851 PolarHBondContact O-N 3.43Å; I848-D851 PolarHBondContact O-N 2.92Å
852D68.5Low78.5Confident121 Ų121101.2 Ų101.265%0.64752%0.519SS*.SBendtrans-79.9-11.9168.3-72.7-28.7000112.7I848 V849 D854I848-D852 WeakPolarHBondContact CG2-OD2 3.38Å; I848-D852 VanDerWaalsContact O-CB 3.3Å; I848-D852 WeakPolarHBondContact O-CB 3.14Å; I848-D852 PolarHBondContact O-N 3.15Å; V849-D852 CarbonylContact O-C 3.58Å; D852-D854 VanDerWaalsContact C-N 3.35Å; D852-D854 PolarHBondContact O-N 2.92Å
853D63.6Low77.8Confident91 Ų91106.2 Ų106.249%0.48753%0.534SS..  trans-67.392.6172.2-87.5-34.3000108.4V849 D855V849-D853 PolarHBondContact O-N 3.23Å; D853-D855 PolarHBondContact O-N 3.22Å
854D68.6Low77.3Confident79 Ų79108.9 Ų108.942%0.42254%0.539SS..THydrogen-bonded Turntrans-6211.4-171.4-128.3-6.4000115.1D852 Y856 F857 H858D852-D854 VanDerWaalsContact C-N 3.35Å; D852-D854 PolarHBondContact O-N 2.92Å; D854-Y856 PolarHBondContact O-N 3.37Å; D854-Y856 VanDerWaalsContact O-N 3.07Å; D854-F857 CarbonylContact O-C 3.59Å; D854-F857 PolarHBondContact O-N 2.96Å; D854-F857 WeakPolarHBondContact OD1-CB 3.41Å; D854-F857 WeakPolarHBondContact OD1-CD2 3.46Å; D854-H858 WeakPolarHBondContact O-CB 3.3Å; D854-H858 PolarHBondContact O-N 3.33Å; D854-H858 IonicContact OD2-CE1 3.75Å
855D68.5Low76.8Confident134 Ų134108.5 Ų108.572%0.71754%0.537SS*.Hα-helixtrans-49.8-33.6-178.3-103.3-1.6000113.4D853 G859D853-D855 PolarHBondContact O-N 3.22Å; D855-G859 WeakPolarHBondContact O-CA 3.46Å; D855-G859 PolarHBondContact O-N 3.28Å
856Y71.3Confident76.3Confident170 Ų170110.7 Ų110.767%0.66754%0.54SS*.Hα-helixtrans-70.3-44.4174.4-178.3-104.6000112.5D854 G859 L860D854-Y856 PolarHBondContact O-N 3.37Å; D854-Y856 VanDerWaalsContact O-N 3.07Å; Y856-G859 PolarHBondContact O-N 3.37Å; Y856-L860 HydrophobicContact CD1-CD1 3.98Å; Y856-L860 HydrophobicContact CE1-CD1 3.44Å; Y856-L860 VanDerWaalsContact CE1-CD1 3.44Å; Y856-L860 HydrophobicContact CE1-CG 4.49Å; Y856-L860 HydrophobicContact CE2-CD1 4.49Å; Y856-L860 PolarHBondContact O-N 3.47Å
857F71.3Confident75.7Confident125 Ų125105.7 Ų105.755%0.54853%0.526SS..Hα-helixtrans-75.2-40.7179.1-69.7-76.1000111.6D854 G859 L860 E861D854-F857 CarbonylContact O-C 3.59Å; D854-F857 PolarHBondContact O-N 2.96Å; D854-F857 WeakPolarHBondContact OD1-CB 3.41Å; D854-F857 WeakPolarHBondContact OD1-CD2 3.46Å; F857-G859 VanDerWaalsContact C-N 3.31Å; F857-G859 PolarHBondContact O-N 3.13Å; F857-L860 CarbonylContact O-C 3.55Å; F857-L860 PolarHBondContact O-N 3.45Å; F857-E861 WeakPolarHBondContact O-CB 3.46Å; F857-E861 WeakPolarHBondContact O-CG 3.3Å; F857-E861 PolarHBondContact O-N 3.02Å
858H71.1Confident75.1Confident106 Ų106108 Ų10849%0.49153%0.529SS..Hα-helixtrans-59.7-40.6168.3-72.810.7000111.3D854 E861 V862D854-H858 WeakPolarHBondContact O-CB 3.3Å; D854-H858 PolarHBondContact O-N 3.33Å; D854-H858 IonicContact OD2-CE1 3.75Å; H858-E861 PolarHBondContact O-N 2.91Å; H858-V862 WeakPolarHBondContact O-CB 3.48Å; H858-V862 VanDerWaalsContact O-CG2 3.27Å; H858-V862 WeakPolarHBondContact O-CG2 3.44Å; H858-V862 PolarHBondContact O-N 2.89Å
859G76.6Confident74.4Confident34 Ų34108.4 Ų108.435%0.35154%0.535SS..Hα-helixtrans-61.2-43.7172.800000113D855 Y856 F857 V862 Q863D855-G859 WeakPolarHBondContact O-CA 3.46Å; D855-G859 PolarHBondContact O-N 3.28Å; Y856-G859 PolarHBondContact O-N 3.37Å; F857-G859 VanDerWaalsContact C-N 3.31Å; F857-G859 PolarHBondContact O-N 3.13Å; G859-V862 PolarHBondContact O-N 2.98Å; G859-Q863 WeakPolarHBondContact O-CG 3.16Å; G859-Q863 PolarHBondContact O-N 3.48Å
860L80.1Confident73.7Confident73 Ų73111.5 Ų111.538%0.38255%0.545SS..Hα-helixtrans-65.8-39.2172.8-84.5167.8000112.7Y856 F857 Q863 R864Y856-L860 HydrophobicContact CD1-CD1 3.98Å; Y856-L860 HydrophobicContact CE1-CD1 3.44Å; Y856-L860 VanDerWaalsContact CE1-CD1 3.44Å; Y856-L860 HydrophobicContact CE1-CG 4.49Å; Y856-L860 HydrophobicContact CE2-CD1 4.49Å; Y856-L860 PolarHBondContact O-N 3.47Å; F857-L860 CarbonylContact O-C 3.55Å; F857-L860 PolarHBondContact O-N 3.45Å; L860-Q863 PolarHBondContact O-N 3.09Å; L860-R864 VanDerWaalsContact O-CB 3.25Å; L860-R864 WeakPolarHBondContact O-CB 3.33Å; L860-R864 PolarHBondContact O-N 2.91Å
861E77.7Confident73.1Confident107 Ų107114 Ų11450%0.556%0.558SS.*Hα-helixtrans-65.4-42.2174.5-74.6-122.8107.300111.4F857 H858 R864 L865F857-E861 WeakPolarHBondContact O-CB 3.46Å; F857-E861 WeakPolarHBondContact O-CG 3.3Å; F857-E861 PolarHBondContact O-N 3.02Å; H858-E861 PolarHBondContact O-N 2.91Å; E861-R864 CarbonylContact O-C 3.59Å; E861-R864 PolarHBondContact O-N 3.31Å; E861-L865 VanDerWaalsContact O-CB 3.28Å; E861-L865 WeakPolarHBondContact O-CB 3.42Å; E861-L865 PolarHBondContact O-N 3.42Å
862V80.3Confident72.4Confident86 Ų86110.5 Ų110.552%0.52155%0.548SS..Hα-helixtrans-64.1-38.7173.4167.60000111.2H858 G859 L865 R866H858-V862 WeakPolarHBondContact O-CB 3.48Å; H858-V862 VanDerWaalsContact O-CG2 3.27Å; H858-V862 WeakPolarHBondContact O-CG2 3.44Å; H858-V862 PolarHBondContact O-N 2.89Å; G859-V862 PolarHBondContact O-N 2.98Å; V862-L865 PolarHBondContact O-N 3.45Å; V862-R866 VanDerWaalsContact O-CB 3.25Å; V862-R866 WeakPolarHBondContact O-CB 3.41Å; V862-R866 PolarHBondContact O-N 3.24Å
863Q77.9Confident71.5Confident138 Ų138109 Ų10965%0.64555%0.546SS*.Hα-helixtrans-66.1-41.6170.6-77.3-167.7200112.3G859 L860 L865 R866 G867G859-Q863 WeakPolarHBondContact O-CG 3.16Å; G859-Q863 PolarHBondContact O-N 3.48Å; L860-Q863 PolarHBondContact O-N 3.09Å; Q863-L865 VanDerWaalsContact C-N 3.29Å; Q863-L865 PolarHBondContact O-N 3.13Å; Q863-R866 PolarHBondContact O-N 2.95Å; Q863-G867 PolarHBondContact O-N 3.05Å
864R81.3Confident71Confident164 Ų164113.4 Ų113.462%0.61956%0.561SS**Hα-helixtrans-67.6-28.8176.2-171.7-176.8-176.1-156.15.9112.4L860 E861 R868L860-R864 VanDerWaalsContact O-CB 3.25Å; L860-R864 WeakPolarHBondContact O-CB 3.33Å; L860-R864 PolarHBondContact O-N 2.91Å; E861-R864 CarbonylContact O-C 3.59Å; E861-R864 PolarHBondContact O-N 3.31Å; R864-R868 WeakPolarHBondContact O-CB 3.38Å; R864-R868 WeakPolarHBondContact O-CG 3.43Å; R864-R868 PolarHBondContact O-N 2.93Å; R864-R868 VanDerWaalsContact O-N 3.08Å; R864-R868 PolarHBondContact O-NE 3.23Å
865L80.6Confident69.9Low97 Ų97117.5 Ų117.551%0.50858%0.578SS.*Hα-helixtrans-76.3-46.3172.9-160.173000110.4E861 V862 Q863 G867 R868 V869E861-L865 VanDerWaalsContact O-CB 3.28Å; E861-L865 WeakPolarHBondContact O-CB 3.42Å; E861-L865 PolarHBondContact O-N 3.42Å; V862-L865 PolarHBondContact O-N 3.45Å; Q863-L865 VanDerWaalsContact C-N 3.29Å; Q863-L865 PolarHBondContact O-N 3.13Å; L865-G867 VanDerWaalsContact C-N 3.33Å; L865-G867 PolarHBondContact O-N 3.36Å; L865-R868 CarbonylContact O-C 3.59Å; L865-R868 WeakPolarHBondContact O-CB 3.49Å; L865-R868 PolarHBondContact O-N 3.15Å; L865-R868 VanDerWaalsContact O-N 3.14Å; L865-V869 WeakPolarHBondContact O-CG2 3.43Å; L865-V869 PolarHBondContact O-N 3.41Å
866R77.4Confident68.8Low164 Ų164120.6 Ų120.662%0.61958%0.581SS**Hα-helixtrans-58.7-42.8173.1-175.2-179.2-66.5-114.92.2111.8V862 Q863 V869 Q870V862-R866 VanDerWaalsContact O-CB 3.25Å; V862-R866 WeakPolarHBondContact O-CB 3.41Å; V862-R866 PolarHBondContact O-N 3.24Å; Q863-R866 PolarHBondContact O-N 2.95Å; R866-V869 PolarHBondContact O-N 3.44Å; R866-Q870 WeakPolarHBondContact O-CG 3.36Å; R866-Q870 PolarHBondContact O-N 2.87Å
867G75.8Confident67.4Low26 Ų26119.5 Ų119.527%0.26859%0.587SS.*Hα-helixtrans-63.6-40.7173.400000112.5Q863 L865 Q870 M871Q863-G867 PolarHBondContact O-N 3.05Å; L865-G867 VanDerWaalsContact C-N 3.33Å; L865-G867 PolarHBondContact O-N 3.36Å; G867-Q870 PolarHBondContact O-N 3.09Å; G867-M871 VanDerWaalsContact O-CB 3.25Å; G867-M871 WeakPolarHBondContact O-CB 3.38Å; G867-M871 VanDerWaalsContact O-CG 3.29Å; G867-M871 WeakPolarHBondContact O-CG 3.39Å; G867-M871 PolarHBondContact O-N 2.94Å
868R74.6Confident66Low136 Ų136119.8 Ų119.851%0.51360%0.599SS.*Hα-helixtrans-63.7-37.7170.7-84.9-178.4-72.7176.3-2.7112.9R864 L865 M871 A872R864-R868 WeakPolarHBondContact O-CB 3.38Å; R864-R868 WeakPolarHBondContact O-CG 3.43Å; R864-R868 PolarHBondContact O-N 2.93Å; R864-R868 VanDerWaalsContact O-N 3.08Å; R864-R868 PolarHBondContact O-NE 3.23Å; L865-R868 CarbonylContact O-C 3.59Å; L865-R868 WeakPolarHBondContact O-CB 3.49Å; L865-R868 PolarHBondContact O-N 3.15Å; L865-R868 VanDerWaalsContact O-N 3.14Å; R868-M871 CarbonylContact O-C 3.59Å; R868-M871 PolarHBondContact O-N 2.82Å; R868-A872 VanDerWaalsContact O-CB 3.32Å; R868-A872 WeakPolarHBondContact O-CB 3.38Å; R868-A872 PolarHBondContact O-N 3.01Å
869V69.4Low64.7Low106 Ų106120 Ų12064%0.64261%0.612SS**Hα-helixtrans-68.8-35.6175.4170.40000111.7L865 R866 A872L865-V869 WeakPolarHBondContact O-CG2 3.43Å; L865-V869 PolarHBondContact O-N 3.41Å; R866-V869 PolarHBondContact O-N 3.44Å; V869-A872 PolarHBondContact O-N 2.87Å
870Q65.8Low63Low151 Ų151124.8 Ų124.871%0.70664%0.639SS**Hα-helixtrans-74.9-33.7174.3-71.9171.7-29.100112.8R866 G867 A872R866-Q870 WeakPolarHBondContact O-CG 3.36Å; R866-Q870 PolarHBondContact O-N 2.87Å; G867-Q870 PolarHBondContact O-N 3.09Å; Q870-A872 VanDerWaalsContact C-N 3.3Å
871M63Low61.2Low154 Ų154130.3 Ų130.376%0.75966%0.663SS**Hα-helixtrans-76.6-13.6171.6-76.3-67-58.400113.5G867 R868 S873G867-M871 VanDerWaalsContact O-CB 3.25Å; G867-M871 WeakPolarHBondContact O-CB 3.38Å; G867-M871 VanDerWaalsContact O-CG 3.29Å; G867-M871 WeakPolarHBondContact O-CG 3.39Å; G867-M871 PolarHBondContact O-N 2.94Å; R868-M871 CarbonylContact O-C 3.59Å; R868-M871 PolarHBondContact O-N 2.82Å; M871-S873 PolarHBondContact O-N 3.2Å
872A55.9Low59.5Low59 Ų59137.9 Ų137.949%0.48870%0.698SS.*  trans-7667.7172.700000109.9R868 V869 Q870 F874R868-A872 VanDerWaalsContact O-CB 3.32Å; R868-A872 WeakPolarHBondContact O-CB 3.38Å; R868-A872 PolarHBondContact O-N 3.01Å; V869-A872 PolarHBondContact O-N 2.87Å; Q870-A872 VanDerWaalsContact C-N 3.3Å; A872-F874 PolarHBondContact O-N 3.26Å
873S50.2Low58.5Low88 Ų88140.5 Ų140.562%0.61571%0.707SS**  trans-60.398.6171.248.60000109.3M871 Q875M871-S873 PolarHBondContact O-N 3.2Å; S873-Q875 PolarHBondContact O-N 2.92Å
874F53.4Low57.5Low184 Ų184140.6 Ų140.681%0.80771%0.71SS**  trans-74.872.6-175.9-135.2-81.9000110.8A872 Y876A872-F874 PolarHBondContact O-N 3.26Å; F874-Y876 VanDerWaalsContact C-N 3.32Å; F874-Y876 HydrophobicContact CD1-CD2 4.13Å; F874-Y876 AromaticContact CE1-CD2 3.84Å; F874-Y876 HydrophobicContact CE1-CD2 3.84Å; F874-Y876 HydrophobicContact CE1-CE2 4.43Å; F874-Y876 PolarHBondContact O-N 3.38Å
875Q44.9Very low56.1Low166 Ų166139.3 Ų139.378%0.77672%0.715SS**  trans-73.187.3171.3-68.8-172.5-5.300109.1S873S873-Q875 PolarHBondContact O-N 2.92Å
876Y45.6Very low54.7Low199 Ų199141.8 Ų141.878%0.7873%0.727SS**  trans-105.9131.7156.2-106.7-88.4000110F874F874-Y876 VanDerWaalsContact C-N 3.32Å; F874-Y876 HydrophobicContact CD1-CD2 4.13Å; F874-Y876 AromaticContact CE1-CD2 3.84Å; F874-Y876 HydrophobicContact CE1-CD2 3.84Å; F874-Y876 HydrophobicContact CE1-CE2 4.43Å; F874-Y876 PolarHBondContact O-N 3.38Å
877N42.5Very low53.3Low147 Ų147140.4 Ų140.479%0.78673%0.734SS**  trans-67.9154.3-157.7-61.9-58000114.3
878T42.8Very low51.8Low130 Ų130148.1 Ų148.180%0.79877%0.765SS**  trans-63.2164.6156.443.10000111.5
879S42.1Very low50.1Low111 Ų111148.9 Ų148.978%0.77678%0.783SS**  trans71.193.916966.30000118.8
880C41.2Very low48.7Very low135 Ų135152.2 Ų152.291%0.91279%0.794SS**  -123.6141118.5-81.60000108
881Q43.6Very low47.2Very low189 Ų189152.3 Ų152.388%0.88380%0.801SS**  trans-102.8116.2163.6-78.4-177.2-49.200108.1
882H41.4Very low45.8Very low266 Ų266152.2 Ų152.2100%1.23181%0.805SS**  trans-164.70140.8-112-57.9000111.2

Retrieved 882 of 882 residues in 123.2 ms (Link to these results)

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