A0A087XXF3_POEFO Loading...

Cilia- and flagella-associated protein 36

AlphaFold DB , UniProt , Accession A0A087XXF3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 385 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
1M55.6Low78Confident184 Ų18488.3 Ų88.391%0.90644%0.444SS*.  0-73.90-72.1-162.5168.400111.2E3 D4 D5M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.06Å; M1-D4 WeakPolarHBondContact CA-OD2 3.37Å; M1-D4 PolarHBondContact N-OD2 3.34Å; M1-D4 PolarHBondContact O-N 3.26Å; M1-D5 PolarHBondContact O-N 2.98Å; M1-D5 VanDerWaalsContact O-N 3.11Å
2A60.1Low79.1Confident72 Ų7282.8 Ų82.860%0.59542%0.42SS*.Hα-helixtrans-64.5-32.3177.500000114S6A2-S6 PolarHBondContact O-N 2.96Å; A2-S6 PolarHBondContact O-OG 3.16Å
3E64.7Low79.9Confident163 Ų16376.5 Ų76.576%0.76239%0.388SS*.Hα-helixtrans-70.1-40.7175.7-66.3175.3172.800112.1M1 S6 E7M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.06Å; E3-S6 PolarHBondContact O-N 3.25Å; E3-E7 PolarHBondContact O-N 2.92Å
4D72.7Confident80.6Confident95 Ų9572.7 Ų72.751%0.50837%0.37SS..Hα-helixtrans-64.7-39.9176.7-58-63.3000111.9M1 S6 E7 W8M1-D4 WeakPolarHBondContact CA-OD2 3.37Å; M1-D4 PolarHBondContact N-OD2 3.34Å; M1-D4 PolarHBondContact O-N 3.26Å; D4-S6 VanDerWaalsContact C-N 3.32Å; D4-S6 PolarHBondContact O-N 3.45Å; D4-E7 PolarHBondContact O-N 2.96Å; D4-W8 PolarHBondContact O-N 2.85Å; D4-W8 VanDerWaalsContact O-N 3.12Å
5D79.8Confident81.3Confident104 Ų10471.1 Ų71.156%0.55638%0.379SS*.Hα-helixtrans-66.4-37.1177.8-67.4-16.5000111M1 I9M1-D5 PolarHBondContact O-N 2.98Å; M1-D5 VanDerWaalsContact O-N 3.11Å; D5-I9 WeakPolarHBondContact O-CD1 3.2Å; D5-I9 VanDerWaalsContact O-CG1 3.23Å; D5-I9 WeakPolarHBondContact O-CG1 3.33Å; D5-I9 PolarHBondContact O-N 3.41Å
6S83.1Confident82.1Confident12 Ų1268.3 Ų68.38%0.08436%0.362CS..Hα-helixtrans-69.1-39.7175.9-60.90000112.3A2 E3 D4 I9 I10A2-S6 PolarHBondContact O-N 2.96Å; A2-S6 PolarHBondContact O-OG 3.16Å; E3-S6 PolarHBondContact O-N 3.25Å; D4-S6 VanDerWaalsContact C-N 3.32Å; D4-S6 PolarHBondContact O-N 3.45Å; S6-I9 PolarHBondContact O-N 3.03Å; S6-I10 WeakPolarHBondContact O-CG1 3.39Å; S6-I10 PolarHBondContact O-N 2.94Å; S6-I10 VanDerWaalsContact O-N 3.1Å
7E85.9Confident82.7Confident74 Ų7464.6 Ų64.635%0.34634%0.342SS..Hα-helixtrans-62.4-49.4178.3179.3166.1-15400111.3E3 D4 I9 I10 E11 F84E3-E7 PolarHBondContact O-N 2.92Å; D4-E7 PolarHBondContact O-N 2.96Å; E7-I9 VanDerWaalsContact C-N 3.32Å; E7-I9 PolarHBondContact O-N 3.47Å; E7-I10 PolarHBondContact O-N 2.95Å; E7-E11 WeakPolarHBondContact O-CG 3.23Å; E7-E11 PolarHBondContact O-N 2.95Å; E7-F84 HydrophobicContact CB-CE1 4.47Å; E7-F84 HydrophobicContact CG-CD1 4.42Å; E7-F84 HydrophobicContact CG-CE1 3.85Å; E7-F84 HydrophobicContact CG-CE2 4.07Å; E7-F84 HydrophobicContact CG-CZ 3.65Å; E7-F84 WeakPolarHBondContact OE1-CE2 3.33Å; E7-F84 WeakPolarHBondContact OE1-CZ 3.48Å
8W89.8Confident83.2Confident144 Ų14463.4 Ų63.455%0.54535%0.349SS..Hα-helixtrans-60.4-40.1177.7174.379.7000112.6D4 E11 S12 V69 I71D4-W8 PolarHBondContact O-N 2.85Å; D4-W8 VanDerWaalsContact O-N 3.12Å; W8-E11 PolarHBondContact O-N 3.41Å; W8-S12 WeakPolarHBondContact O-CB 3.46Å; W8-S12 PolarHBondContact O-N 3.35Å; W8-V69 HydrophobicContact CH2-CG1 3.72Å; W8-V69 HydrophobicContact CZ2-CG1 4.36Å; W8-I71 HydrophobicContact CZ3-CG1 4.48Å
9I90.3Very high83.8Confident9 Ų961.2 Ų61.25%0.04634%0.338CS..Hα-helixtrans-62-46.1177-70.2168.4000110.6D5 S6 E7 S12 I13 I71 Q75 A79D5-I9 WeakPolarHBondContact O-CD1 3.2Å; D5-I9 VanDerWaalsContact O-CG1 3.23Å; D5-I9 WeakPolarHBondContact O-CG1 3.33Å; D5-I9 PolarHBondContact O-N 3.41Å; S6-I9 PolarHBondContact O-N 3.03Å; E7-I9 VanDerWaalsContact C-N 3.32Å; E7-I9 PolarHBondContact O-N 3.47Å; I9-S12 WeakPolarHBondContact O-CB 3.26Å; I9-S12 PolarHBondContact O-N 3.39Å; I9-I13 HydrophobicContact CG2-CD1 3.82Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.48Å; I9-I13 PolarHBondContact O-N 3.18Å; I9-I71 HydrophobicContact CG2-CD1 4.35Å; I9-I71 HydrophobicContact CG2-CG2 4.26Å; I9-Q75 HydrophobicContact CD1-CB 3.87Å; I9-A79 HydrophobicContact CB-CB 4Å; I9-A79 HydrophobicContact CD1-CB 4.47Å; I9-A79 HydrophobicContact CG2-CB 3.68Å
10I87.5Confident84.4Confident0 Ų062 Ų620%035%0.346CS..Hα-helixtrans-65.4-45.6179.4-67.1-57.8000111.1S6 E7 S12 I13 V14 A79 F84 A85 Q91S6-I10 WeakPolarHBondContact O-CG1 3.39Å; S6-I10 PolarHBondContact O-N 2.94Å; S6-I10 VanDerWaalsContact O-N 3.1Å; E7-I10 PolarHBondContact O-N 2.95Å; I10-S12 VanDerWaalsContact C-N 3.3Å; I10-S12 PolarHBondContact O-N 3.32Å; I10-I13 PolarHBondContact O-N 3.47Å; I10-V14 HydrophobicContact CG2-CG2 4.15Å; I10-V14 WeakPolarHBondContact O-CB 3.35Å; I10-V14 WeakPolarHBondContact O-CG2 3.17Å; I10-V14 PolarHBondContact O-N 2.89Å; I10-A79 HydrophobicContact CD1-CB 3.92Å; I10-A79 HydrophobicContact CG1-CB 4.04Å; I10-F84 HydrophobicContact CB-CD1 4.11Å; I10-F84 HydrophobicContact CB-CE1 4.36Å; I10-F84 HydrophobicContact CG2-CD1 3.97Å; I10-F84 HydrophobicContact CG2-CE1 4.12Å; I10-A85 HydrophobicContact CD1-CB 4.11Å; I10-A85 HydrophobicContact CG1-CB 4.41Å; I10-Q91 VanDerWaalsContact CG2-NE2 3.28Å
11E88.5Confident84.9Confident114 Ų11464.9 Ų64.953%0.53336%0.357SS..Hα-helixtrans-59.8-42.6176.8-72.9-170158.200112.1E7 W8 V14 G15E7-E11 WeakPolarHBondContact O-CG 3.23Å; E7-E11 PolarHBondContact O-N 2.95Å; W8-E11 PolarHBondContact O-N 3.41Å; E11-V14 PolarHBondContact O-N 2.64Å; E11-G15 PolarHBondContact O-N 3.05Å
12S91.3Very high86.8Confident22 Ų2256.4 Ų56.415%0.15432%0.315CS..Hα-helixtrans-58.4-49.4176.3179.60000111.2W8 I9 I10 G15 Y16 Y65W8-S12 WeakPolarHBondContact O-CB 3.46Å; W8-S12 PolarHBondContact O-N 3.35Å; I9-S12 WeakPolarHBondContact O-CB 3.26Å; I9-S12 PolarHBondContact O-N 3.39Å; I10-S12 VanDerWaalsContact C-N 3.3Å; I10-S12 PolarHBondContact O-N 3.32Å; S12-G15 PolarHBondContact O-N 3.1Å; S12-Y16 PolarHBondContact O-N 3.5Å; S12-Y65 PolarHBondContact O-OH 2.88Å; S12-Y65 VanDerWaalsContact O-OH 3.05Å; S12-Y65 PolarHBondContact OG-OH 3.34Å
13I90.3Very high88.5Confident1 Ų155.9 Ų55.91%0.00530%0.304CS..Hα-helixtrans-67.9-41.4-179.9-68.6174000111.5I9 I10 G15 Y16 L17 Y65 I71 F76 F95I9-I13 HydrophobicContact CG2-CD1 3.82Å; I9-I13 VanDerWaalsContact O-CG1 3.29Å; I9-I13 WeakPolarHBondContact O-CG1 3.48Å; I9-I13 PolarHBondContact O-N 3.18Å; I10-I13 PolarHBondContact O-N 3.47Å; I13-G15 VanDerWaalsContact C-N 3.27Å; I13-G15 PolarHBondContact O-N 2.7Å; I13-Y16 WeakPolarHBondContact O-CB 3.46Å; I13-Y16 PolarHBondContact O-N 3.02Å; I13-Y16 VanDerWaalsContact O-N 3.09Å; I13-L17 HydrophobicContact CG2-CD1 4.13Å; I13-L17 HydrophobicContact CG2-CG 4.25Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 2.91Å; I13-Y65 HydrophobicContact CG1-CD1 4.49Å; I13-Y65 HydrophobicContact CG1-CE1 3.92Å; I13-I71 HydrophobicContact CG1-CD1 4.5Å; I13-F76 HydrophobicContact CD1-CD2 3.13Å; I13-F76 HydrophobicContact CD1-CE2 3.22Å; I13-F76 HydrophobicContact CD1-CG 4.33Å; I13-F76 HydrophobicContact CD1-CZ 4.47Å; I13-F76 HydrophobicContact CG2-CE2 4.41Å; I13-F95 HydrophobicContact CG2-CE1 4.14Å; I13-F95 HydrophobicContact CG2-CZ 4.41Å
14V89.1Confident89.9Confident24 Ų2453.4 Ų53.415%0.14530%0.295CS..Hα-helixtrans-60.3-41175170.50000110.6I10 E11 Y16 L17 G18 Q91 M94 F95I10-V14 HydrophobicContact CG2-CG2 4.15Å; I10-V14 WeakPolarHBondContact O-CB 3.35Å; I10-V14 WeakPolarHBondContact O-CG2 3.17Å; I10-V14 PolarHBondContact O-N 2.89Å; E11-V14 PolarHBondContact O-N 2.64Å; V14-Y16 VanDerWaalsContact C-N 3.33Å; V14-Y16 PolarHBondContact O-N 3.27Å; V14-L17 PolarHBondContact O-N 3.48Å; V14-G18 PolarHBondContact O-N 3.36Å; V14-Q91 HydrophobicContact CG2-CG 3.94Å; V14-M94 HydrophobicContact CG1-CE 4.21Å; V14-M94 HydrophobicContact CG1-SD 3.81Å; V14-M94 WeakPolarHBondContact O-CE 3.11Å; V14-F95 HydrophobicContact CG2-CE2 3.6Å; V14-F95 HydrophobicContact CG2-CZ 3.73Å
15G90.8Very high91.1Very high49 Ų4950.9 Ų50.951%0.50528%0.284SS..Hα-helixtrans-58.5-43.7172.700000112.5E11 S12 I13 G18 S19E11-G15 PolarHBondContact O-N 3.05Å; S12-G15 PolarHBondContact O-N 3.1Å; I13-G15 VanDerWaalsContact C-N 3.27Å; I13-G15 PolarHBondContact O-N 2.7Å; G15-G18 PolarHBondContact O-N 3.44Å; G15-S19 PolarHBondContact O-N 3.11Å
16Y93.9Very high91.9Very high25 Ų2546.1 Ų46.110%0.09826%0.258CS..Hα-helixtrans-65.7-42.7175.9175.5-115000113.3S12 I13 V14 G18 S19 E21 W22 L61 L62 Y65S12-Y16 PolarHBondContact O-N 3.5Å; I13-Y16 WeakPolarHBondContact O-CB 3.46Å; I13-Y16 PolarHBondContact O-N 3.02Å; I13-Y16 VanDerWaalsContact O-N 3.09Å; V14-Y16 VanDerWaalsContact C-N 3.33Å; V14-Y16 PolarHBondContact O-N 3.27Å; Y16-G18 PolarHBondContact O-N 3.28Å; Y16-G18 VanDerWaalsContact O-N 3.14Å; Y16-S19 WeakPolarHBondContact CD2-OG 3.2Å; Y16-S19 VanDerWaalsContact O-CB 3.26Å; Y16-S19 WeakPolarHBondContact O-CB 3.34Å; Y16-S19 PolarHBondContact O-N 3.29Å; Y16-S19 PolarHBondContact O-OG 3.35Å; Y16-E21 HydrophobicContact CE2-CB 4.15Å; Y16-W22 HydrophobicContact CD1-CE3 4.43Å; Y16-W22 HydrophobicContact CE1-CB 4.41Å; Y16-W22 AromaticContact CE1-CE3 3.72Å; Y16-W22 HydrophobicContact CE1-CE3 3.72Å; Y16-W22 HydrophobicContact CE1-CZ3 4.41Å; Y16-W22 HydrophobicContact CE2-CB 4.45Å; Y16-W22 VanDerWaalsContact O-CB 3.26Å; Y16-W22 WeakPolarHBondContact O-CB 3.46Å; Y16-L61 PolarHBondContact OH-O 3.2Å; Y16-L62 HydrophobicContact CE1-CD2 4.46Å; Y16-Y65 AromaticContact CD1-CD1 3.84Å; Y16-Y65 HydrophobicContact CD1-CD1 3.84Å; Y16-Y65 AromaticContact CD1-CD2 3.95Å; Y16-Y65 HydrophobicContact CD1-CD2 3.95Å; Y16-Y65 HydrophobicContact CD1-CE1 4.38Å; Y16-Y65 HydrophobicContact CD1-CE2 4.46Å; Y16-Y65 AromaticContact CD1-CG 3.59Å; Y16-Y65 HydrophobicContact CD1-CG 3.59Å; Y16-Y65 AromaticContact CD2-CD2 3.37Å; Y16-Y65 HydrophobicContact CD2-CD2 3.37Å; Y16-Y65 AromaticContact CD2-CE2 3.74Å; Y16-Y65 HydrophobicContact CD2-CE2 3.74Å; Y16-Y65 AromaticContact CD2-CG 3.9Å; Y16-Y65 HydrophobicContact CD2-CG 3.9Å; Y16-Y65 HydrophobicContact CE1-CD1 4.38Å; Y16-Y65 HydrophobicContact CE1-CD2 4.28Å; Y16-Y65 AromaticContact CE1-CG 3.81Å; Y16-Y65 HydrophobicContact CE1-CG 3.81Å; Y16-Y65 AromaticContact CE2-CD2 3.79Å; Y16-Y65 HydrophobicContact CE2-CD2 3.79Å; Y16-Y65 HydrophobicContact CE2-CG 4.14Å; Y16-Y65 AromaticContact CG-CD1 3.99Å; Y16-Y65 HydrophobicContact CG-CD1 3.99Å; Y16-Y65 AromaticContact CG-CD2 3.45Å; Y16-Y65 HydrophobicContact CG-CD2 3.45Å; Y16-Y65 VanDerWaalsContact CG-CD2 3.45Å; Y16-Y65 HydrophobicContact CG-CE1 4.2Å; Y16-Y65 AromaticContact CG-CE2 3.67Å; Y16-Y65 HydrophobicContact CG-CE2 3.67Å; Y16-Y65 AromaticContact CG-CG 3.61Å; Y16-Y65 HydrophobicContact CG-CG 3.61Å
17L92.7Very high92.4Very high6 Ų647 Ų473%0.03126%0.263CS..Hα-helixtrans-63-20.4177.1-65.6177.1000112.8I13 V14 W22 L62 M94 F95 V98I13-L17 HydrophobicContact CG2-CD1 4.13Å; I13-L17 HydrophobicContact CG2-CG 4.25Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 2.91Å; V14-L17 PolarHBondContact O-N 3.48Å; L17-W22 HydrophobicContact CD2-CD2 3.58Å; L17-W22 HydrophobicContact CD2-CE3 3.91Å; L17-W22 HydrophobicContact CD2-CG 4.14Å; L17-W22 HydrophobicContact CD2-CH2 3.8Å; L17-W22 HydrophobicContact CD2-CZ2 3.48Å; L17-W22 VanDerWaalsContact CD2-CZ2 3.48Å; L17-W22 HydrophobicContact CD2-CZ3 4.02Å; L17-L62 HydrophobicContact CD2-CD2 4.43Å; L17-M94 HydrophobicContact CB-CE 4.18Å; L17-F95 HydrophobicContact CD1-CD1 3.56Å; L17-F95 HydrophobicContact CD1-CE1 3.52Å; L17-F95 HydrophobicContact CD1-CG 4.21Å; L17-F95 HydrophobicContact CD1-CZ 4.13Å; L17-V98 HydrophobicContact CD1-CG2 4.04Å; L17-V98 HydrophobicContact CD2-CG2 3.69Å
18G91.6Very high92.9Very high44 Ų4447.2 Ų47.245%0.45427%0.267SS..THydrogen-bonded Turntrans-91.3-8.8171.400000114.6V14 G15 Y16 M94V14-G18 PolarHBondContact O-N 3.36Å; G15-G18 PolarHBondContact O-N 3.44Å; Y16-G18 PolarHBondContact O-N 3.28Å; Y16-G18 VanDerWaalsContact O-N 3.14Å; G18-M94 VanDerWaalsContact CA-CE 3.42Å
19S95.1Very high93.2Very high21 Ų2141.7 Ų41.715%0.14725%0.247CC..SBendtrans-75.6150.1-176.274.80000112.2G15 Y16 E21 W22 V23G15-S19 PolarHBondContact O-N 3.11Å; Y16-S19 WeakPolarHBondContact CD2-OG 3.2Å; Y16-S19 VanDerWaalsContact O-CB 3.26Å; Y16-S19 WeakPolarHBondContact O-CB 3.34Å; Y16-S19 PolarHBondContact O-N 3.29Å; Y16-S19 PolarHBondContact O-OG 3.35Å; S19-E21 WeakPolarHBondContact CB-OE2 3.48Å; S19-E21 PolarHBondContact O-N 2.99Å; S19-W22 PolarHBondContact O-N 2.8Å; S19-W22 VanDerWaalsContact O-N 3.1Å; S19-W22 PolarHBondContact OG-N 3.33Å; S19-V23 WeakPolarHBondContact O-CB 3.41Å; S19-V23 WeakPolarHBondContact O-CG2 3.3Å; S19-V23 PolarHBondContact O-N 3.43Å
20P95.7Very high93.4Very high77 Ų7741.7 Ų41.750%0.525%0.247SC..Hα-helixtrans-52.2-33.6171.8-26.533.9000113.8W22 V23 I24P20-W22 PolarHBondContact O-N 2.94Å; P20-V23 PolarHBondContact O-N 2.81Å; P20-I24 HydrophobicContact CB-CD1 3.73Å; P20-I24 HydrophobicContact CB-CG1 4.3Å; P20-I24 WeakPolarHBondContact O-CB 3.25Å; P20-I24 VanDerWaalsContact O-CG1 3.23Å; P20-I24 WeakPolarHBondContact O-CG1 3.31Å; P20-I24 PolarHBondContact O-N 3.36Å
21E94.3Very high93.7Very high123 Ų12345.5 Ų45.558%0.57526%0.264SS*.Hα-helixtrans-62.7-31.2-178.9-6973.5-17400111.8Y16 S19 P25Y16-E21 HydrophobicContact CE2-CB 4.15Å; S19-E21 WeakPolarHBondContact CB-OE2 3.48Å; S19-E21 PolarHBondContact O-N 2.99Å; E21-P25 WeakPolarHBondContact O-CD 3.47Å; E21-P25 VanDerWaalsContact O-CG 3.31Å; E21-P25 WeakPolarHBondContact O-CG 3.2Å
22W96Very high93.8Very high5 Ų545.9 Ų45.92%0.01927%0.266CS..Hα-helixtrans-90.6-52170.5173.4-93.7000112.5Y16 L17 S19 P20 I24 P25 V26 V58 L61 L62 P97 V98Y16-W22 HydrophobicContact CD1-CE3 4.43Å; Y16-W22 HydrophobicContact CE1-CB 4.41Å; Y16-W22 AromaticContact CE1-CE3 3.72Å; Y16-W22 HydrophobicContact CE1-CE3 3.72Å; Y16-W22 HydrophobicContact CE1-CZ3 4.41Å; Y16-W22 HydrophobicContact CE2-CB 4.45Å; Y16-W22 VanDerWaalsContact O-CB 3.26Å; Y16-W22 WeakPolarHBondContact O-CB 3.46Å; L17-W22 HydrophobicContact CD2-CD2 3.58Å; L17-W22 HydrophobicContact CD2-CE3 3.91Å; L17-W22 HydrophobicContact CD2-CG 4.14Å; L17-W22 HydrophobicContact CD2-CH2 3.8Å; L17-W22 HydrophobicContact CD2-CZ2 3.48Å; L17-W22 VanDerWaalsContact CD2-CZ2 3.48Å; L17-W22 HydrophobicContact CD2-CZ3 4.02Å; S19-W22 PolarHBondContact O-N 2.8Å; S19-W22 VanDerWaalsContact O-N 3.1Å; S19-W22 PolarHBondContact OG-N 3.33Å; P20-W22 PolarHBondContact O-N 2.94Å; W22-I24 VanDerWaalsContact C-N 3.35Å; W22-I24 PolarHBondContact O-N 3.18Å; W22-P25 WeakPolarHBondContact O-CD 3.39Å; W22-V26 HydrophobicContact CD2-CG2 4.01Å; W22-V26 HydrophobicContact CE3-CG2 4.44Å; W22-V26 HydrophobicContact CG-CG2 4.46Å; W22-V26 HydrophobicContact CH2-CG2 4.46Å; W22-V26 HydrophobicContact CZ2-CG2 4.01Å; W22-V26 WeakPolarHBondContact O-CB 3.37Å; W22-V26 VanDerWaalsContact O-CG2 3.28Å; W22-V26 WeakPolarHBondContact O-CG2 3.49Å; W22-V26 PolarHBondContact O-N 3.02Å; W22-V58 HydrophobicContact CH2-CB 4.24Å; W22-V58 HydrophobicContact CH2-CG1 3.74Å; W22-V58 HydrophobicContact CH2-CG2 4.01Å; W22-V58 HydrophobicContact CZ3-CG1 4.41Å; W22-L61 HydrophobicContact CE3-CB 3.79Å; W22-L61 HydrophobicContact CE3-CD1 3.92Å; W22-L61 HydrophobicContact CE3-CG 4.49Å; W22-L61 HydrophobicContact CZ3-CB 3.69Å; W22-L61 HydrophobicContact CZ3-CD1 4.11Å; W22-L62 HydrophobicContact CH2-CD2 4.49Å; W22-L62 HydrophobicContact CH2-CG 4.28Å; W22-L62 HydrophobicContact CZ3-CD2 4.06Å; W22-L62 HydrophobicContact CZ3-CG 3.9Å; W22-P97 HydrophobicContact CZ2-CB 4.16Å; W22-V98 HydrophobicContact CH2-CG2 3.85Å; W22-V98 HydrophobicContact CZ2-CG2 3.79Å
23V94.8Very high93.8Very high61 Ų6147.7 Ų47.737%0.3727%0.271SS..Hα-helixtrans-64.1-40.2-169.7173.50000111.1S19 P20 T27S19-V23 WeakPolarHBondContact O-CB 3.41Å; S19-V23 WeakPolarHBondContact O-CG2 3.3Å; S19-V23 PolarHBondContact O-N 3.43Å; P20-V23 PolarHBondContact O-N 2.81Å; V23-T27 WeakPolarHBondContact O-CB 3.23Å; V23-T27 PolarHBondContact O-N 3.25Å; V23-T27 PolarHBondContact O-OG1 3.43Å
24I95.4Very high93.8Very high111 Ų11147.6 Ų47.657%0.56927%0.271SS*.Hα-helixtrans-65.5-56.9-177.4-63.9168000110.6P20 W22 V26 T27 D28P20-I24 HydrophobicContact CB-CD1 3.73Å; P20-I24 HydrophobicContact CB-CG1 4.3Å; P20-I24 WeakPolarHBondContact O-CB 3.25Å; P20-I24 VanDerWaalsContact O-CG1 3.23Å; P20-I24 WeakPolarHBondContact O-CG1 3.31Å; P20-I24 PolarHBondContact O-N 3.36Å; W22-I24 VanDerWaalsContact C-N 3.35Å; W22-I24 PolarHBondContact O-N 3.18Å; I24-V26 VanDerWaalsContact C-N 3.33Å; I24-V26 PolarHBondContact O-N 2.97Å; I24-T27 PolarHBondContact O-N 3.44Å; I24-D28 WeakPolarHBondContact O-CB 3.31Å; I24-D28 PolarHBondContact O-N 3.11Å
25P97Very high93.6Very high43 Ų4351 Ų5128%0.27929%0.291SS..Hα-helixtrans-62.9-37.4-178.2-23.935.3000113.6E21 W22 F29 L57 L61E21-P25 WeakPolarHBondContact O-CD 3.47Å; E21-P25 VanDerWaalsContact O-CG 3.31Å; E21-P25 WeakPolarHBondContact O-CG 3.2Å; W22-P25 WeakPolarHBondContact O-CD 3.39Å; P25-F29 WeakPolarHBondContact O-CB 3.49Å; P25-F29 PolarHBondContact O-N 3.47Å; P25-L57 HydrophobicContact CB-CD1 4.36Å; P25-L61 HydrophobicContact CB-CD1 4.13Å; P25-L61 HydrophobicContact CB-CD2 4.44Å; P25-L61 HydrophobicContact CG-CD2 4.32Å
26V96.1Very high93.1Very high3 Ų352.7 Ų52.72%0.01829%0.289CS..Hα-helixtrans-68-45178.7173.30000110.7W22 I24 F29 M30 Y54 L61 P97W22-V26 HydrophobicContact CD2-CG2 4.01Å; W22-V26 HydrophobicContact CE3-CG2 4.44Å; W22-V26 HydrophobicContact CG-CG2 4.46Å; W22-V26 HydrophobicContact CH2-CG2 4.46Å; W22-V26 HydrophobicContact CZ2-CG2 4.01Å; W22-V26 WeakPolarHBondContact O-CB 3.37Å; W22-V26 VanDerWaalsContact O-CG2 3.28Å; W22-V26 WeakPolarHBondContact O-CG2 3.49Å; W22-V26 PolarHBondContact O-N 3.02Å; I24-V26 VanDerWaalsContact C-N 3.33Å; I24-V26 PolarHBondContact O-N 2.97Å; V26-F29 PolarHBondContact O-N 3.44Å; V26-M30 HydrophobicContact CG1-CE 3.94Å; V26-M30 WeakPolarHBondContact O-CG 3.31Å; V26-M30 PolarHBondContact O-N 3.31Å; V26-M30 VanDerWaalsContact O-N 3.1Å; V26-Y54 HydrophobicContact CG1-CE2 4.25Å; V26-L61 HydrophobicContact CG2-CD1 3.78Å; V26-P97 HydrophobicContact CG1-CB 4.3Å
27T94.8Very high92.3Very high30 Ų3051.8 Ų51.818%0.18429%0.286CS..Hα-helixtrans-65.6-45.7177-57.10000111.2V23 I24 F29 M30 E31V23-T27 WeakPolarHBondContact O-CB 3.23Å; V23-T27 PolarHBondContact O-N 3.25Å; V23-T27 PolarHBondContact O-OG1 3.43Å; I24-T27 PolarHBondContact O-N 3.44Å; T27-F29 VanDerWaalsContact C-N 3.32Å; T27-F29 PolarHBondContact O-N 3.48Å; T27-M30 PolarHBondContact O-N 3.01Å; T27-M30 VanDerWaalsContact O-N 3.08Å; T27-E31 HydrophobicContact CG2-CG 4.13Å; T27-E31 WeakPolarHBondContact CG2-OE1 3.26Å; T27-E31 WeakPolarHBondContact O-CG 3.46Å; T27-E31 PolarHBondContact O-N 3.19Å
28D96.1Very high91.2Very high80 Ų8054.9 Ų54.943%0.42830%0.303SS..Hα-helixtrans-56-46.3177.3-172.963.1000111.2I24 M30 E31 H32I24-D28 WeakPolarHBondContact O-CB 3.31Å; I24-D28 PolarHBondContact O-N 3.11Å; D28-M30 PolarHBondContact O-N 2.95Å; D28-E31 PolarHBondContact O-N 3.13Å; D28-H32 PolarHBondContact O-N 3.38Å; D28-H32 VanDerWaalsContact O-N 3.14Å; D28-H32 PolarHBondContact O-ND1 3.37Å; D28-H32 IonicContact OD1-CE1 3.04Å; D28-H32 PolarHBondContact OD1-CE1 3.13Å; D28-H32 IonicContact OD1-ND1 3.37Å; D28-H32 PolarHBondContact OD1-ND1 2.88Å; D28-H32 IonicContact OD2-CE1 3.91Å; D28-H32 IonicContact OD2-ND1 3.83Å
29F96.4Very high89.8Confident27 Ų2758.9 Ų58.912%0.11831%0.313CS..Hα-helixtrans-58.7-47.9174.5179-86000112.2P25 V26 T27 H32 K33 I50 Q53 Y54 L57 F107P25-F29 WeakPolarHBondContact O-CB 3.49Å; P25-F29 PolarHBondContact O-N 3.47Å; V26-F29 PolarHBondContact O-N 3.44Å; T27-F29 VanDerWaalsContact C-N 3.32Å; T27-F29 PolarHBondContact O-N 3.48Å; F29-H32 PolarHBondContact O-N 2.83Å; F29-K33 HydrophobicContact CD1-CG 4.43Å; F29-K33 HydrophobicContact CD2-CG 4.32Å; F29-K33 HydrophobicContact CE1-CB 4.24Å; F29-K33 HydrophobicContact CE1-CG 4.06Å; F29-K33 HydrophobicContact CE2-CG 3.95Å; F29-K33 HydrophobicContact CZ-CB 4.41Å; F29-K33 HydrophobicContact CZ-CG 3.82Å; F29-K33 WeakPolarHBondContact O-CB 3.44Å; F29-K33 WeakPolarHBondContact O-CG 3.48Å; F29-K33 PolarHBondContact O-N 3.37Å; F29-K33 VanDerWaalsContact O-N 3.09Å; F29-I50 HydrophobicContact CE1-CG2 4.12Å; F29-I50 HydrophobicContact CZ-CG2 3.88Å; F29-I50 WeakPolarHBondContact CZ-O 3.11Å; F29-Q53 HydrophobicContact CE2-CB 3.75Å; F29-Q53 HydrophobicContact CZ-CB 3.91Å; F29-Y54 AromaticContact CD1-CD2 3.68Å; F29-Y54 HydrophobicContact CD1-CD2 3.68Å; F29-Y54 AromaticContact CE1-CD2 3.73Å; F29-Y54 HydrophobicContact CE1-CD2 3.73Å; F29-Y54 HydrophobicContact CE1-CG 4.17Å; F29-L57 HydrophobicContact CB-CD2 3.5Å; F29-L57 VanDerWaalsContact CB-CD2 3.5Å; F29-L57 HydrophobicContact CD2-CD2 4.04Å; F29-L57 HydrophobicContact CG-CD2 3.8Å; F29-F107 HydrophobicContact CE1-CE2 4.44Å
30M94.2Very high88.4Confident10 Ų1064.6 Ų64.65%0.04934%0.338CS..Hα-helixtrans-62.1-46.3-179.1-69.4-174.1-64.900111.3V26 T27 D28 H32 K33 C34 L110 M111 K114V26-M30 HydrophobicContact CG1-CE 3.94Å; V26-M30 WeakPolarHBondContact O-CG 3.31Å; V26-M30 PolarHBondContact O-N 3.31Å; V26-M30 VanDerWaalsContact O-N 3.1Å; T27-M30 PolarHBondContact O-N 3.01Å; T27-M30 VanDerWaalsContact O-N 3.08Å; D28-M30 PolarHBondContact O-N 2.95Å; M30-H32 VanDerWaalsContact C-N 3.29Å; M30-H32 PolarHBondContact O-N 2.93Å; M30-K33 PolarHBondContact O-N 2.7Å; M30-C34 WeakPolarHBondContact O-CB 3.33Å; M30-C34 PolarHBondContact O-N 2.86Å; M30-C34 PolarHBondContact O-SG 3.14Å; M30-L110 HydrophobicContact SD-CB 4.39Å; M30-M111 HydrophobicContact CB-SD 3.95Å; M30-M111 HydrophobicContact CG-SD 3.68Å; M30-K114 HydrophobicContact CB-CB 4.33Å; M30-K114 HydrophobicContact CB-CG 4.04Å; M30-K114 HydrophobicContact CE-CD 4.22Å; M30-K114 HydrophobicContact CE-CG 4.04Å; M30-K114 HydrophobicContact SD-CG 3.94Å
31E93.4Very high86.6Confident79 Ų7968.3 Ų68.337%0.36935%0.354SS..Hα-helixtrans-59.4-38.9179.8-70.9179.9174.800112.4T27 D28 L118T27-E31 HydrophobicContact CG2-CG 4.13Å; T27-E31 WeakPolarHBondContact CG2-OE1 3.26Å; T27-E31 WeakPolarHBondContact O-CG 3.46Å; T27-E31 PolarHBondContact O-N 3.19Å; D28-E31 PolarHBondContact O-N 3.13Å; E31-L118 HydrophobicContact CB-CD1 4.12Å; E31-L118 HydrophobicContact CG-CD1 4.14Å; E31-L118 HydrophobicContact CG-CD2 4.28Å
32H91.9Very high85Confident122 Ų12269.3 Ų69.357%0.56536%0.358SS*.Hα-helixtrans-75.8-30.1179.7-74.497.5000113.8D28 F29 M30D28-H32 PolarHBondContact O-N 3.38Å; D28-H32 VanDerWaalsContact O-N 3.14Å; D28-H32 PolarHBondContact O-ND1 3.37Å; D28-H32 IonicContact OD1-CE1 3.04Å; D28-H32 PolarHBondContact OD1-CE1 3.13Å; D28-H32 IonicContact OD1-ND1 3.37Å; D28-H32 PolarHBondContact OD1-ND1 2.88Å; D28-H32 IonicContact OD2-CE1 3.91Å; D28-H32 IonicContact OD2-ND1 3.83Å; F29-H32 PolarHBondContact O-N 2.83Å; M30-H32 VanDerWaalsContact C-N 3.29Å; M30-H32 PolarHBondContact O-N 2.93Å
33K91.2Very high83.6Confident60 Ų6073.9 Ų73.926%0.26138%0.383SS..Hα-helixtrans-104.7-16.2-172-63-61-173.3-1800113.9F29 M30 T35 D36 I50 M111F29-K33 HydrophobicContact CD1-CG 4.43Å; F29-K33 HydrophobicContact CD2-CG 4.32Å; F29-K33 HydrophobicContact CE1-CB 4.24Å; F29-K33 HydrophobicContact CE1-CG 4.06Å; F29-K33 HydrophobicContact CE2-CG 3.95Å; F29-K33 HydrophobicContact CZ-CB 4.41Å; F29-K33 HydrophobicContact CZ-CG 3.82Å; F29-K33 WeakPolarHBondContact O-CB 3.44Å; F29-K33 WeakPolarHBondContact O-CG 3.48Å; F29-K33 PolarHBondContact O-N 3.37Å; F29-K33 VanDerWaalsContact O-N 3.09Å; M30-K33 PolarHBondContact O-N 2.7Å; K33-T35 VanDerWaalsContact C-N 3.27Å; K33-T35 PolarHBondContact O-N 3.14Å; K33-D36 PolarHBondContact O-N 2.9Å; K33-I50 HydrophobicContact CB-CG2 3.74Å; K33-I50 HydrophobicContact CD-CG2 4.42Å; K33-I50 HydrophobicContact CG-CG2 4.06Å; K33-M111 HydrophobicContact CB-CE 3.45Å; K33-M111 VanDerWaalsContact CB-CE 3.45Å
34C88.8Confident82.6Confident0 Ų074.5 Ų74.50%038%0.381CS..G310 helixtrans-70-23.4-17668.40000113.5M30 D36 L37 M111 K114 N115M30-C34 WeakPolarHBondContact O-CB 3.33Å; M30-C34 PolarHBondContact O-N 2.86Å; M30-C34 PolarHBondContact O-SG 3.14Å; C34-D36 PolarHBondContact O-N 2.88Å; C34-L37 PolarHBondContact O-N 3.27Å; C34-M111 HydrophobicContact CB-CB 4.45Å; C34-M111 HydrophobicContact CB-CE 3.98Å; C34-M111 VanDerWaalsContact CB-O 3.24Å; C34-M111 WeakPolarHBondContact CB-O 3.47Å; C34-M111 VanDerWaalsContact N-CE 3.29Å; C34-K114 HydrophobicContact CB-CB 4.49Å; C34-N115 HydrophobicContact CB-CB 3.96Å; C34-N115 PolarHBondContact O-ND2 3.36Å
35T85.8Confident81.7Confident94 Ų9476.3 Ų76.358%0.57739%0.391SS*.G310 helixtrans-66.8-27.1175.5-55.30000112.2K33 L37 N115K33-T35 VanDerWaalsContact C-N 3.27Å; K33-T35 PolarHBondContact O-N 3.14Å; T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 3.32Å; T35-N115 WeakPolarHBondContact CA-ND2 3.45Å
36D78.9Confident80.9Confident85 Ų8576.5 Ų76.546%0.45539%0.393SS..G310 helixtrans-79.9-10.3180-62.2-37.2000112.8K33 C34 Y47 I50K33-D36 PolarHBondContact O-N 2.9Å; C34-D36 PolarHBondContact O-N 2.88Å; D36-Y47 VanDerWaalsContact O-CE1 3.32Å; D36-Y47 WeakPolarHBondContact O-CE1 3.12Å; D36-I50 HydrophobicContact CB-CD1 3.96Å
37L77.2Confident80.4Confident6 Ų676.4 Ų76.43%0.03139%0.392CS..  trans-99.898.8-179.4-78.4153.6000109.8C34 T35 Y47 F107 M111C34-L37 PolarHBondContact O-N 3.27Å; T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 3.32Å; L37-Y47 HydrophobicContact CD2-CD1 3.3Å; L37-Y47 HydrophobicContact CD2-CD2 3.76Å; L37-Y47 HydrophobicContact CD2-CE1 3.56Å; L37-Y47 HydrophobicContact CD2-CE2 3.95Å; L37-Y47 HydrophobicContact CD2-CG 3.41Å; L37-Y47 VanDerWaalsContact CD2-CG 3.41Å; L37-Y47 HydrophobicContact CG-CD1 4.05Å; L37-Y47 HydrophobicContact CG-CE1 4.1Å; L37-F107 HydrophobicContact CD1-CE1 4.27Å; L37-F107 HydrophobicContact CD1-CZ 4.43Å; L37-M111 HydrophobicContact CD1-CB 3.36Å; L37-M111 HydrophobicContact CD1-CE 3.63Å; L37-M111 HydrophobicContact CD1-CG 3.5Å; L37-M111 VanDerWaalsContact CD1-CG 3.5Å; L37-M111 HydrophobicContact CD1-SD 4.43Å
38D69.6Low80.1Confident72 Ų7278.1 Ų78.139%0.38540%0.403SS..  trans-79.5150.4172.8-56.1-47.8000110.5E40 K44 Y47D38-E40 PolarHBondContact O-N 3.34Å; D38-K44 IonicContact OD2-NZ 3.87Å; D38-K44 PolarHBondContact OD2-NZ 3.46Å; D38-Y47 PolarHBondContact N-OH 3.21Å; D38-Y47 PolarHBondContact O-OH 2.85Å
39D64Low79.8Confident127 Ų12780.3 Ų80.368%0.67941%0.41SS*.SBendtrans-71-5.7176.5-161.721.8000113.4D41 R108D39-D41 PolarHBondContact O-N 3.09Å; D39-R108 PolarHBondContact O-NH2 2.97Å; D39-R108 IonicContact OD1-NH2 3.88Å
40E64.1Low79.6Confident142 Ų14279.5 Ų79.566%0.66441%0.407SS*.SBendtrans-64.7137.2176.1-63.9-72.4117.700110.8D38 E42 R108D38-E40 PolarHBondContact O-N 3.34Å; E40-E42 PolarHBondContact O-N 3.39Å; E40-R108 PolarHBondContact O-NH2 3.46Å
41D58.1Low79.7Confident155 Ų15579.6 Ų79.683%0.82941%0.408SS*.SBendtrans-68.96.6-179.5-91.4-37.9000114D39 N43D39-D41 PolarHBondContact O-N 3.09Å; D41-N43 PolarHBondContact O-N 3.43Å; D41-N43 VanDerWaalsContact O-N 3.15Å
42E60.3Low79.7Confident144 Ų14480.3 Ų80.367%0.67341%0.411SS*.  trans-78.5102.2176.9-157.9172.7-152.600109.3E40 K44E40-E42 PolarHBondContact O-N 3.39Å; E42-K44 VanDerWaalsContact C-N 3.28Å; E42-K44 PolarHBondContact O-N 2.89Å
43N66.6Low79.9Confident100 Ų10077.9 Ų77.954%0.53540%0.4SS..  trans-65.685.5177.6-174.277.4000110.9D41D41-N43 PolarHBondContact O-N 3.43Å; D41-N43 VanDerWaalsContact O-N 3.15Å
44K74.6Confident80.2Confident75 Ų7575.1 Ų75.133%0.32639%0.388SS..  trans-66.8136.4174.7-62.3177-174.1177.40109D38 E42 S46 Y47D38-K44 IonicContact OD2-NZ 3.87Å; D38-K44 PolarHBondContact OD2-NZ 3.46Å; E42-K44 VanDerWaalsContact C-N 3.28Å; E42-K44 PolarHBondContact O-N 2.89Å; K44-S46 VanDerWaalsContact CB-OG 3.25Å; K44-S46 WeakPolarHBondContact CB-OG 3.32Å; K44-S46 PolarHBondContact O-N 3.29Å; K44-Y47 HydrophobicContact CB-CD1 4.17Å; K44-Y47 HydrophobicContact CB-CE1 4.08Å; K44-Y47 HydrophobicContact CB-CG 4.39Å; K44-Y47 HydrophobicContact CD-CE1 4.07Å; K44-Y47 HydrophobicContact CG-CE1 4.43Å; K44-Y47 WeakPolarHBondContact O-CB 3.18Å; K44-Y47 PolarHBondContact O-N 2.93Å
45L76.3Confident80.5Confident149 Ų14977.1 Ų77.178%0.7840%0.396SS*.Hα-helixtrans-56.2-23.9173.8-71.6169.2000112.7Y47 T48 E49L45-Y47 PolarHBondContact O-N 3.1Å; L45-T48 PolarHBondContact O-N 3.2Å; L45-T48 PolarHBondContact O-OG1 2.86Å; L45-E49 PolarHBondContact O-N 3.12Å
46S79.6Confident81Confident47 Ų4776.5 Ų76.533%0.32939%0.39SS..Hα-helixtrans-60.8-32173.551.10000112.7K44 T48 E49 I50K44-S46 VanDerWaalsContact CB-OG 3.25Å; K44-S46 WeakPolarHBondContact CB-OG 3.32Å; K44-S46 PolarHBondContact O-N 3.29Å; S46-T48 PolarHBondContact O-N 2.98Å; S46-E49 PolarHBondContact O-N 3.41Å; S46-I50 VanDerWaalsContact O-CG1 3.23Å; S46-I50 WeakPolarHBondContact O-CG1 3.38Å; S46-I50 PolarHBondContact O-N 3.42Å
47Y86.5Confident81.9Confident0 Ų074.4 Ų74.40%038%0.378CS..Hα-helixtrans-68.9-39.1-177.5-60.1-10.3000111.8D36 L37 D38 K44 L45 E49 I50 H51 F104D36-Y47 VanDerWaalsContact O-CE1 3.32Å; D36-Y47 WeakPolarHBondContact O-CE1 3.12Å; L37-Y47 HydrophobicContact CD2-CD1 3.3Å; L37-Y47 HydrophobicContact CD2-CD2 3.76Å; L37-Y47 HydrophobicContact CD2-CE1 3.56Å; L37-Y47 HydrophobicContact CD2-CE2 3.95Å; L37-Y47 HydrophobicContact CD2-CG 3.41Å; L37-Y47 VanDerWaalsContact CD2-CG 3.41Å; L37-Y47 HydrophobicContact CG-CD1 4.05Å; L37-Y47 HydrophobicContact CG-CE1 4.1Å; D38-Y47 PolarHBondContact N-OH 3.21Å; D38-Y47 PolarHBondContact O-OH 2.85Å; K44-Y47 HydrophobicContact CB-CD1 4.17Å; K44-Y47 HydrophobicContact CB-CE1 4.08Å; K44-Y47 HydrophobicContact CB-CG 4.39Å; K44-Y47 HydrophobicContact CD-CE1 4.07Å; K44-Y47 HydrophobicContact CG-CE1 4.43Å; K44-Y47 WeakPolarHBondContact O-CB 3.18Å; K44-Y47 PolarHBondContact O-N 2.93Å; L45-Y47 PolarHBondContact O-N 3.1Å; Y47-E49 VanDerWaalsContact C-N 3.32Å; Y47-I50 PolarHBondContact O-N 2.98Å; Y47-H51 WeakPolarHBondContact O-CB 3.29Å; Y47-H51 PolarHBondContact O-N 2.79Å; Y47-F104 HydrophobicContact CD2-CZ 4.34Å; Y47-F104 HydrophobicContact CG-CZ 4.48Å
48T87.7Confident82.8Confident67 Ų6774.2 Ų74.241%0.41138%0.377SS..Hα-helixtrans-65.9-35.5173.839.10000112.2L45 S46 H51 Q52L45-T48 PolarHBondContact O-N 3.2Å; L45-T48 PolarHBondContact O-OG1 2.86Å; S46-T48 PolarHBondContact O-N 2.98Å; T48-H51 PolarHBondContact O-N 3.04Å; T48-Q52 PolarHBondContact O-N 3.49Å
49E91.1Very high84Confident125 Ų12576 Ų7658%0.58438%0.383SS*.Hα-helixtrans-68.1-43.3176.1-174.4173.7-171.300111.6L45 S46 Y47 H51 Q52 Q53L45-E49 PolarHBondContact O-N 3.12Å; S46-E49 PolarHBondContact O-N 3.41Å; Y47-E49 VanDerWaalsContact C-N 3.32Å; E49-H51 VanDerWaalsContact C-N 3.34Å; E49-Q52 PolarHBondContact O-N 3.39Å; E49-Q53 WeakPolarHBondContact O-CG 3.28Å; E49-Q53 PolarHBondContact O-N 2.99Å
50I92.9Very high85.6Confident10 Ų1076.2 Ų76.25%0.05138%0.378CS..Hα-helixtrans-63.6-42.5175.2-61.5164.5000110.1F29 K33 D36 S46 Y47 Q52 Q53 Y54 F107 M111F29-I50 HydrophobicContact CE1-CG2 4.12Å; F29-I50 HydrophobicContact CZ-CG2 3.88Å; F29-I50 WeakPolarHBondContact CZ-O 3.11Å; K33-I50 HydrophobicContact CB-CG2 3.74Å; K33-I50 HydrophobicContact CD-CG2 4.42Å; K33-I50 HydrophobicContact CG-CG2 4.06Å; D36-I50 HydrophobicContact CB-CD1 3.96Å; S46-I50 VanDerWaalsContact O-CG1 3.23Å; S46-I50 WeakPolarHBondContact O-CG1 3.38Å; S46-I50 PolarHBondContact O-N 3.42Å; Y47-I50 PolarHBondContact O-N 2.98Å; I50-Q52 VanDerWaalsContact C-N 3.31Å; I50-Q52 PolarHBondContact O-N 3.5Å; I50-Q53 WeakPolarHBondContact O-CB 3.4Å; I50-Q53 PolarHBondContact O-N 3.3Å; I50-Y54 PolarHBondContact O-N 3.45Å; I50-F107 HydrophobicContact CG2-CZ 3.89Å; I50-M111 HydrophobicContact CG2-CE 4.43Å
51H94.4Very high87.1Confident13 Ų1370.6 Ų70.66%0.0635%0.353CS..Hα-helixtrans-61.3-39.6176-173.7-143.8000111.9Y47 T48 E49 Q53 Y54 K55 A100 T101 F104 F107Y47-H51 WeakPolarHBondContact O-CB 3.29Å; Y47-H51 PolarHBondContact O-N 2.79Å; T48-H51 PolarHBondContact O-N 3.04Å; E49-H51 VanDerWaalsContact C-N 3.34Å; H51-Q53 VanDerWaalsContact C-N 3.35Å; H51-Q53 PolarHBondContact O-N 3.37Å; H51-Y54 WeakPolarHBondContact O-CB 3.4Å; H51-Y54 PolarHBondContact O-N 2.82Å; H51-K55 WeakPolarHBondContact CE1-CE 3.32Å; H51-K55 WeakPolarHBondContact ND1-CE 3.46Å; H51-K55 WeakPolarHBondContact O-CG 3.32Å; H51-K55 PolarHBondContact O-N 3.21Å; H51-A100 PolarHBondContact NE2-O 2.72Å; H51-T101 PolarHBondContact CE1-O 3.44Å; H51-T101 VanDerWaalsContact CE1-O 3.27Å; H51-T101 PolarHBondContact NE2-O 3.37Å; H51-F104 HydrophobicContact CB-CD2 3.98Å; H51-F104 HydrophobicContact CB-CE2 4.18Å; H51-F104 AromaticContact CG-CD2 3.88Å; H51-F104 AromaticContact ND1-CD2 3.72Å; H51-F107 HydrophobicContact CB-CD1 3.98Å; H51-F107 HydrophobicContact CB-CE1 3.88Å; H51-F107 HydrophobicContact CB-CZ 4.39Å; H51-F107 AromaticContact CD2-CD1 3.66Å; H51-F107 AromaticContact CD2-CD2 3.76Å; H51-F107 AromaticContact CD2-CG 3.41Å; H51-F107 VanDerWaalsContact CD2-CG 3.41Å; H51-F107 WeakPolarHBondContact CD2-CG 3.16Å
52Q94.7Very high88.8Confident94 Ų9464.1 Ų64.144%0.43932%0.318SS..Hα-helixtrans-64.3-39.8175.2-170.861.55300112.2T48 E49 I50 Y54 K55 N56T48-Q52 PolarHBondContact O-N 3.49Å; E49-Q52 PolarHBondContact O-N 3.39Å; I50-Q52 VanDerWaalsContact C-N 3.31Å; I50-Q52 PolarHBondContact O-N 3.5Å; Q52-Y54 VanDerWaalsContact C-N 3.29Å; Q52-Y54 PolarHBondContact O-N 3.33Å; Q52-K55 PolarHBondContact O-N 2.93Å; Q52-N56 PolarHBondContact NE2-OD1 3.33Å; Q52-N56 PolarHBondContact O-N 3.18Å; Q52-N56 PolarHBondContact O-ND2 2.91Å; Q52-N56 PolarHBondContact O-OD1 2.88Å
53Q95.6Very high90.4Very high71 Ų7163.4 Ų63.433%0.33232%0.315SS..Hα-helixtrans-62.6-39.7174.2-67.3172.617.100111.3F29 E49 I50 H51 N56 L57F29-Q53 HydrophobicContact CE2-CB 3.75Å; F29-Q53 HydrophobicContact CZ-CB 3.91Å; E49-Q53 WeakPolarHBondContact O-CG 3.28Å; E49-Q53 PolarHBondContact O-N 2.99Å; I50-Q53 WeakPolarHBondContact O-CB 3.4Å; I50-Q53 PolarHBondContact O-N 3.3Å; H51-Q53 VanDerWaalsContact C-N 3.35Å; H51-Q53 PolarHBondContact O-N 3.37Å; Q53-N56 PolarHBondContact O-N 3.43Å; Q53-L57 PolarHBondContact O-N 3.14Å
54Y96.6Very high91.8Very high1 Ų162 Ų620%0.00431%0.307CS..Hα-helixtrans-62.4-47.1174.9-178.5-102.4000112.4V26 F29 I50 H51 Q52 N56 L57 V58 P97 A100 T101 F107V26-Y54 HydrophobicContact CG1-CE2 4.25Å; F29-Y54 AromaticContact CD1-CD2 3.68Å; F29-Y54 HydrophobicContact CD1-CD2 3.68Å; F29-Y54 AromaticContact CE1-CD2 3.73Å; F29-Y54 HydrophobicContact CE1-CD2 3.73Å; F29-Y54 HydrophobicContact CE1-CG 4.17Å; I50-Y54 PolarHBondContact O-N 3.45Å; H51-Y54 WeakPolarHBondContact O-CB 3.4Å; H51-Y54 PolarHBondContact O-N 2.82Å; Q52-Y54 VanDerWaalsContact C-N 3.29Å; Q52-Y54 PolarHBondContact O-N 3.33Å; Y54-N56 PolarHBondContact O-N 2.96Å; Y54-L57 WeakPolarHBondContact O-CB 3.48Å; Y54-L57 PolarHBondContact O-N 3.48Å; Y54-V58 HydrophobicContact CD1-CG2 4.3Å; Y54-V58 HydrophobicContact CE1-CG2 3.83Å; Y54-V58 HydrophobicContact CE2-CG2 4.17Å; Y54-V58 PolarHBondContact O-N 3.15Å; Y54-P97 WeakPolarHBondContact CE1-O 3.39Å; Y54-P97 VanDerWaalsContact OH-C 3.31Å; Y54-P97 WeakPolarHBondContact OH-CA 3.22Å; Y54-P97 VanDerWaalsContact OH-CB 3.25Å; Y54-P97 WeakPolarHBondContact OH-CB 3.41Å; Y54-P97 PolarHBondContact OH-O 3.35Å; Y54-A100 HydrophobicContact CE1-CB 3.9Å; Y54-T101 HydrophobicContact CD1-CG2 4.43Å; Y54-T101 HydrophobicContact CE1-CG2 4.19Å; Y54-F107 AromaticContact CD1-CD2 3.68Å; Y54-F107 HydrophobicContact CD1-CD2 3.68Å; Y54-F107 AromaticContact CD1-CE2 3.97Å; Y54-F107 HydrophobicContact CD1-CE2 3.97Å; Y54-F107 HydrophobicContact CD2-CD2 4.33Å; Y54-F107 AromaticContact CD2-CE2 3.96Å; Y54-F107 HydrophobicContact CD2-CE2 3.96Å; Y54-F107 HydrophobicContact CE1-CD2 4.08Å; Y54-F107 AromaticContact CG-CD2 3.8Å; Y54-F107 HydrophobicContact CG-CD2 3.8Å; Y54-F107 AromaticContact CG-CE2 3.58Å; Y54-F107 HydrophobicContact CG-CE2 3.58Å
55K96.3Very high92.8Very high42 Ų4259.9 Ų59.918%0.18330%0.298CS..Hα-helixtrans-55.4-50.9175.2-69.4180-167-1200111.1H51 Q52 L57 V58 E59 T101H51-K55 WeakPolarHBondContact CE1-CE 3.32Å; H51-K55 WeakPolarHBondContact ND1-CE 3.46Å; H51-K55 WeakPolarHBondContact O-CG 3.32Å; H51-K55 PolarHBondContact O-N 3.21Å; Q52-K55 PolarHBondContact O-N 2.93Å; K55-L57 PolarHBondContact O-N 3.41Å; K55-V58 PolarHBondContact O-N 3.08Å; K55-E59 WeakPolarHBondContact O-CB 3.31Å; K55-E59 VanDerWaalsContact O-CG 3.31Å; K55-E59 WeakPolarHBondContact O-CG 3.42Å; K55-E59 PolarHBondContact O-N 3.2Å; K55-T101 WeakPolarHBondContact CE-O 3.48Å; K55-T101 WeakPolarHBondContact CG-O 3.44Å; K55-T101 PolarHBondContact NZ-O 3.33Å
56N96.9Very high93.6Very high82 Ų8253.8 Ų53.844%0.43927%0.265SS..Hα-helixtrans-60.6-35.7-179.8-63.9-9000112.2Q52 Q53 Y54 K60Q52-N56 PolarHBondContact NE2-OD1 3.33Å; Q52-N56 PolarHBondContact O-N 3.18Å; Q52-N56 PolarHBondContact O-ND2 2.91Å; Q52-N56 PolarHBondContact O-OD1 2.88Å; Q53-N56 PolarHBondContact O-N 3.43Å; Y54-N56 PolarHBondContact O-N 2.96Å; N56-K60 VanDerWaalsContact O-CB 3.25Å; N56-K60 WeakPolarHBondContact O-CB 3.4Å; N56-K60 PolarHBondContact O-N 3.37Å; N56-K60 VanDerWaalsContact O-N 3.11Å
57L97.3Very high94.2Very high40 Ų4059 Ų5921%0.20928%0.284CS..Hα-helixtrans-65.6-51.7175.4173.464.7000111P25 F29 Q53 Y54 K55 K60 L61P25-L57 HydrophobicContact CB-CD1 4.36Å; F29-L57 HydrophobicContact CB-CD2 3.5Å; F29-L57 VanDerWaalsContact CB-CD2 3.5Å; F29-L57 HydrophobicContact CD2-CD2 4.04Å; F29-L57 HydrophobicContact CG-CD2 3.8Å; Q53-L57 PolarHBondContact O-N 3.14Å; Y54-L57 WeakPolarHBondContact O-CB 3.48Å; Y54-L57 PolarHBondContact O-N 3.48Å; K55-L57 PolarHBondContact O-N 3.41Å; L57-K60 PolarHBondContact O-N 3.44Å; L57-L61 HydrophobicContact CD1-CD1 3.95Å; L57-L61 HydrophobicContact CD1-CG 4.19Å; L57-L61 HydrophobicContact CG-CD1 4.04Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 2.96Å
58V96.6Very high94.6Very high2 Ų266.5 Ų66.51%0.01232%0.32CS..Hα-helixtrans-60.9-47.2179.8164.70000111.2W22 Y54 K55 K60 L61 L62 T101W22-V58 HydrophobicContact CH2-CB 4.24Å; W22-V58 HydrophobicContact CH2-CG1 3.74Å; W22-V58 HydrophobicContact CH2-CG2 4.01Å; W22-V58 HydrophobicContact CZ3-CG1 4.41Å; Y54-V58 HydrophobicContact CD1-CG2 4.3Å; Y54-V58 HydrophobicContact CE1-CG2 3.83Å; Y54-V58 HydrophobicContact CE2-CG2 4.17Å; Y54-V58 PolarHBondContact O-N 3.15Å; K55-V58 PolarHBondContact O-N 3.08Å; V58-K60 VanDerWaalsContact C-N 3.35Å; V58-K60 PolarHBondContact O-N 3.04Å; V58-L61 PolarHBondContact O-N 2.78Å; V58-L62 HydrophobicContact CG1-CD1 3.86Å; V58-L62 HydrophobicContact CG1-CG 4.46Å; V58-L62 WeakPolarHBondContact O-CG 3.47Å; V58-L62 PolarHBondContact O-N 3.47Å; V58-T101 HydrophobicContact CB-CG2 3.6Å; V58-T101 HydrophobicContact CG1-CG2 3.4Å; V58-T101 HydrophobicContact CG2-CG2 3.93Å
59E94.8Very high94.8Very high110 Ų11065.9 Ų65.951%0.51432%0.316SS..Hα-helixtrans-56.5-48.9177.4-75.6173.3-170.900110.9K55 L61 L62 E63K55-E59 WeakPolarHBondContact O-CB 3.31Å; K55-E59 VanDerWaalsContact O-CG 3.31Å; K55-E59 WeakPolarHBondContact O-CG 3.42Å; K55-E59 PolarHBondContact O-N 3.2Å; E59-L61 PolarHBondContact O-N 2.93Å; E59-L62 PolarHBondContact O-N 3.04Å; E59-E63 WeakPolarHBondContact O-CB 3.28Å; E59-E63 PolarHBondContact O-N 3.46Å
60K96.3Very high94.8Very high131 Ų13162.5 Ų62.557%0.5731%0.314SS*.Hα-helixtrans-63.4-40.3179.2-175-179.8178.2-177.20112.8N56 L57 V58 N64N56-K60 VanDerWaalsContact O-CB 3.25Å; N56-K60 WeakPolarHBondContact O-CB 3.4Å; N56-K60 PolarHBondContact O-N 3.37Å; N56-K60 VanDerWaalsContact O-N 3.11Å; L57-K60 PolarHBondContact O-N 3.44Å; V58-K60 VanDerWaalsContact C-N 3.35Å; V58-K60 PolarHBondContact O-N 3.04Å; K60-N64 WeakPolarHBondContact O-CB 3.41Å; K60-N64 PolarHBondContact O-N 3.27Å; K60-N64 PolarHBondContact O-OD1 2.83Å
61L96.4Very high94.8Very high24 Ų2462.5 Ų62.513%0.12631%0.314CS..Hα-helixtrans-67.2-40178.6-72.2172.9000111.7Y16 W22 P25 V26 L57 V58 E59 Y65Y16-L61 PolarHBondContact OH-O 3.2Å; W22-L61 HydrophobicContact CE3-CB 3.79Å; W22-L61 HydrophobicContact CE3-CD1 3.92Å; W22-L61 HydrophobicContact CE3-CG 4.49Å; W22-L61 HydrophobicContact CZ3-CB 3.69Å; W22-L61 HydrophobicContact CZ3-CD1 4.11Å; P25-L61 HydrophobicContact CB-CD1 4.13Å; P25-L61 HydrophobicContact CB-CD2 4.44Å; P25-L61 HydrophobicContact CG-CD2 4.32Å; V26-L61 HydrophobicContact CG2-CD1 3.78Å; L57-L61 HydrophobicContact CD1-CD1 3.95Å; L57-L61 HydrophobicContact CD1-CG 4.19Å; L57-L61 HydrophobicContact CG-CD1 4.04Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 2.96Å; V58-L61 PolarHBondContact O-N 2.78Å; E59-L61 PolarHBondContact O-N 2.93Å; L61-Y65 WeakPolarHBondContact O-CB 3.49Å; L61-Y65 PolarHBondContact O-N 2.88Å
62L93.8Very high94.6Very high20 Ų2067 Ų6711%0.10534%0.338CS..Hα-helixtrans-71.6-44176.4-72.9173.8000111.6Y16 L17 W22 V58 E59 N64 Y65 M66 V98Y16-L62 HydrophobicContact CE1-CD2 4.46Å; L17-L62 HydrophobicContact CD2-CD2 4.43Å; W22-L62 HydrophobicContact CH2-CD2 4.49Å; W22-L62 HydrophobicContact CH2-CG 4.28Å; W22-L62 HydrophobicContact CZ3-CD2 4.06Å; W22-L62 HydrophobicContact CZ3-CG 3.9Å; V58-L62 HydrophobicContact CG1-CD1 3.86Å; V58-L62 HydrophobicContact CG1-CG 4.46Å; V58-L62 WeakPolarHBondContact O-CG 3.47Å; V58-L62 PolarHBondContact O-N 3.47Å; E59-L62 PolarHBondContact O-N 3.04Å; L62-N64 PolarHBondContact O-N 3.18Å; L62-Y65 PolarHBondContact O-N 3.37Å; L62-M66 WeakPolarHBondContact O-CB 3.37Å; L62-M66 WeakPolarHBondContact O-CG 3.49Å; L62-M66 PolarHBondContact O-N 3.45Å; L62-V98 HydrophobicContact CD1-CG1 4.11Å
63E94.5Very high94.3Very high128 Ų12869.2 Ų69.260%0.59835%0.349SS*.Hα-helixtrans-59.1-47.8178.5-176178.6-16200111.1E59 Y65 M66 Q67E59-E63 WeakPolarHBondContact O-CB 3.28Å; E59-E63 PolarHBondContact O-N 3.46Å; E63-Y65 PolarHBondContact O-N 2.85Å; E63-M66 PolarHBondContact O-N 3.34Å; E63-Q67 WeakPolarHBondContact O-CB 3.42Å; E63-Q67 PolarHBondContact O-N 3.08Å
64N95.2Very high93.9Very high72 Ų7272.7 Ų72.739%0.38537%0.365SS..Hα-helixtrans-58-48.4176-85.225.6000111.6K60 L62 Q67 E68K60-N64 WeakPolarHBondContact O-CB 3.41Å; K60-N64 PolarHBondContact O-N 3.27Å; K60-N64 PolarHBondContact O-OD1 2.83Å; L62-N64 PolarHBondContact O-N 3.18Å; N64-Q67 PolarHBondContact O-N 3.44Å; N64-E68 WeakPolarHBondContact O-CG 3.44Å; N64-E68 PolarHBondContact O-N 3.03Å
65Y94.8Very high93.6Very high30 Ų3076.7 Ų76.712%0.11838%0.384CS..Hα-helixtrans-62.5-47.3180177.7-105.1000112.3S12 I13 Y16 L61 L62 E63 Q67 E68 V69 I71S12-Y65 PolarHBondContact O-OH 2.88Å; S12-Y65 VanDerWaalsContact O-OH 3.05Å; S12-Y65 PolarHBondContact OG-OH 3.34Å; I13-Y65 HydrophobicContact CG1-CD1 4.49Å; I13-Y65 HydrophobicContact CG1-CE1 3.92Å; Y16-Y65 AromaticContact CD1-CD1 3.84Å; Y16-Y65 HydrophobicContact CD1-CD1 3.84Å; Y16-Y65 AromaticContact CD1-CD2 3.95Å; Y16-Y65 HydrophobicContact CD1-CD2 3.95Å; Y16-Y65 HydrophobicContact CD1-CE1 4.38Å; Y16-Y65 HydrophobicContact CD1-CE2 4.46Å; Y16-Y65 AromaticContact CD1-CG 3.59Å; Y16-Y65 HydrophobicContact CD1-CG 3.59Å; Y16-Y65 AromaticContact CD2-CD2 3.37Å; Y16-Y65 HydrophobicContact CD2-CD2 3.37Å; Y16-Y65 AromaticContact CD2-CE2 3.74Å; Y16-Y65 HydrophobicContact CD2-CE2 3.74Å; Y16-Y65 AromaticContact CD2-CG 3.9Å; Y16-Y65 HydrophobicContact CD2-CG 3.9Å; Y16-Y65 HydrophobicContact CE1-CD1 4.38Å; Y16-Y65 HydrophobicContact CE1-CD2 4.28Å; Y16-Y65 AromaticContact CE1-CG 3.81Å; Y16-Y65 HydrophobicContact CE1-CG 3.81Å; Y16-Y65 AromaticContact CE2-CD2 3.79Å; Y16-Y65 HydrophobicContact CE2-CD2 3.79Å; Y16-Y65 HydrophobicContact CE2-CG 4.14Å; Y16-Y65 AromaticContact CG-CD1 3.99Å; Y16-Y65 HydrophobicContact CG-CD1 3.99Å; Y16-Y65 AromaticContact CG-CD2 3.45Å; Y16-Y65 HydrophobicContact CG-CD2 3.45Å; Y16-Y65 VanDerWaalsContact CG-CD2 3.45Å; Y16-Y65 HydrophobicContact CG-CE1 4.2Å; Y16-Y65 AromaticContact CG-CE2 3.67Å; Y16-Y65 HydrophobicContact CG-CE2 3.67Å; Y16-Y65 AromaticContact CG-CG 3.61Å; Y16-Y65 HydrophobicContact CG-CG 3.61Å; L61-Y65 WeakPolarHBondContact O-CB 3.49Å; L61-Y65 PolarHBondContact O-N 2.88Å; L62-Y65 PolarHBondContact O-N 3.37Å; E63-Y65 PolarHBondContact O-N 2.85Å; Y65-Q67 VanDerWaalsContact C-N 3.26Å; Y65-Q67 PolarHBondContact O-N 3.44Å; Y65-E68 PolarHBondContact O-N 3.05Å; Y65-E68 VanDerWaalsContact O-N 3.16Å; Y65-V69 HydrophobicContact CD1-CG2 4.49Å; Y65-V69 HydrophobicContact CD2-CG2 4.01Å; Y65-V69 HydrophobicContact CE1-CG2 4.02Å; Y65-V69 HydrophobicContact CE2-CG2 3.49Å; Y65-V69 VanDerWaalsContact CE2-CG2 3.49Å; Y65-V69 HydrophobicContact CG-CG2 4.49Å; Y65-V69 WeakPolarHBondContact O-CG2 3.37Å; Y65-V69 PolarHBondContact O-N 3.27Å; Y65-I71 HydrophobicContact CE1-CD1 4.44Å
66M92.7Very high93.2Very high21 Ų2176.3 Ų76.310%0.10338%0.382CS..Hα-helixtrans-60.7-38.3178.9-71.8173.962.600111.3L62 E63 G70 I71 E73 F76L62-M66 WeakPolarHBondContact O-CB 3.37Å; L62-M66 WeakPolarHBondContact O-CG 3.49Å; L62-M66 PolarHBondContact O-N 3.45Å; E63-M66 PolarHBondContact O-N 3.34Å; M66-G70 WeakPolarHBondContact O-CA 3.37Å; M66-G70 PolarHBondContact O-N 2.83Å; M66-I71 HydrophobicContact CE-CG2 4.48Å; M66-I71 PolarHBondContact O-N 2.88Å; M66-E73 HydrophobicContact CE-CG 4.35Å; M66-F76 HydrophobicContact CE-CB 3.6Å; M66-F76 HydrophobicContact CE-CD1 4.1Å; M66-F76 HydrophobicContact CE-CG 3.97Å; M66-F76 HydrophobicContact SD-CB 4.43Å; M66-F76 HydrophobicContact SD-CD1 4.14Å; M66-F76 HydrophobicContact SD-CG 4.18Å
67Q94Very high92.7Very high156 Ų15676.8 Ų76.873%0.72938%0.384SS*.Hα-helixtrans-67.2-40.2175.1-174.917254.900112.7E63 N64 Y65E63-Q67 WeakPolarHBondContact O-CB 3.42Å; E63-Q67 PolarHBondContact O-N 3.08Å; N64-Q67 PolarHBondContact O-N 3.44Å; Y65-Q67 VanDerWaalsContact C-N 3.26Å; Y65-Q67 PolarHBondContact O-N 3.44Å
68E93.9Very high92.2Very high158 Ų15879.7 Ų79.774%0.73840%0.4SS*.Hα-helixtrans-69.3-40.2179.5-75.4179.1-173.600112.8N64 Y65N64-E68 WeakPolarHBondContact O-CG 3.44Å; N64-E68 PolarHBondContact O-N 3.03Å; Y65-E68 PolarHBondContact O-N 3.05Å; Y65-E68 VanDerWaalsContact O-N 3.16Å
69V92.4Very high91.7Very high54 Ų5479.6 Ų79.633%0.32740%0.399SS..Hα-helixtrans-81.7-19.4179-177.80000112.1W8 Y65 I71W8-V69 HydrophobicContact CH2-CG1 3.72Å; W8-V69 HydrophobicContact CZ2-CG1 4.36Å; Y65-V69 HydrophobicContact CD1-CG2 4.49Å; Y65-V69 HydrophobicContact CD2-CG2 4.01Å; Y65-V69 HydrophobicContact CE1-CG2 4.02Å; Y65-V69 HydrophobicContact CE2-CG2 3.49Å; Y65-V69 VanDerWaalsContact CE2-CG2 3.49Å; Y65-V69 HydrophobicContact CG-CG2 4.49Å; Y65-V69 WeakPolarHBondContact O-CG2 3.37Å; Y65-V69 PolarHBondContact O-N 3.27Å; V69-I71 HydrophobicContact CB-CD1 4.09Å; V69-I71 HydrophobicContact CB-CG1 4.18Å; V69-I71 HydrophobicContact CG1-CD1 3.73Å; V69-I71 HydrophobicContact CG1-CG1 3.83Å
70G91.5Very high91.1Very high53 Ų5376.4 Ų76.455%0.54639%0.389SS..THydrogen-bonded Turntrans80.631.3-178.500000113.5M66M66-G70 WeakPolarHBondContact O-CA 3.37Å; M66-G70 PolarHBondContact O-N 2.83Å
71I92.1Very high90.5Very high11 Ų1174.5 Ų74.56%0.05639%0.388CS..  trans-89121.6176.5-60.3166.9000108.4W8 I9 I13 Y65 M66 V69 Q75 F76W8-I71 HydrophobicContact CZ3-CG1 4.48Å; I9-I71 HydrophobicContact CG2-CD1 4.35Å; I9-I71 HydrophobicContact CG2-CG2 4.26Å; I13-I71 HydrophobicContact CG1-CD1 4.5Å; Y65-I71 HydrophobicContact CE1-CD1 4.44Å; M66-I71 HydrophobicContact CE-CG2 4.48Å; M66-I71 PolarHBondContact O-N 2.88Å; V69-I71 HydrophobicContact CB-CD1 4.09Å; V69-I71 HydrophobicContact CB-CG1 4.18Å; V69-I71 HydrophobicContact CG1-CD1 3.73Å; V69-I71 HydrophobicContact CG1-CG1 3.83Å; I71-Q75 HydrophobicContact CG2-CB 4.39Å; I71-F76 HydrophobicContact CG2-CB 4.14Å
72N90.5Very high89.9Confident107 Ų10774.5 Ų74.557%0.57239%0.39SS*.  trans-76150.4174.1-64.7-67.4000111.3Q74 Q75 F76N72-Q74 PolarHBondContact O-N 3Å; N72-Q75 HydrophobicContact CB-CG 4.26Å; N72-Q75 PolarHBondContact ND2-OE1 3.45Å; N72-Q75 WeakPolarHBondContact O-CB 3.41Å; N72-Q75 PolarHBondContact O-N 3.28Å; N72-F76 PolarHBondContact O-N 3.26Å
73E87.7Confident89Confident140 Ų14078.5 Ų78.565%0.65442%0.417SS*.Hα-helixtrans-51.1-42.3176.4-66.6175-168.500113.1M66 Q75 F76 L77M66-E73 HydrophobicContact CE-CG 4.35Å; E73-Q75 VanDerWaalsContact C-N 3.33Å; E73-Q75 PolarHBondContact O-N 3.5Å; E73-F76 PolarHBondContact O-N 3.2Å; E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.35Å; E73-L77 PolarHBondContact O-N 2.86Å
74Q88.3Confident87.8Confident144 Ų14475 Ų7567%0.67340%0.4SS*.Hα-helixtrans-65.5-36.1179.2-65-62.2-41.600112.5N72 D78N72-Q74 PolarHBondContact O-N 3Å; Q74-D78 WeakPolarHBondContact O-CB 3.33Å; Q74-D78 PolarHBondContact O-N 2.82Å
75Q89.3Confident86.6Confident86 Ų8672.6 Ų72.640%0.40239%0.391SS..Hα-helixtrans-71.5-37.6177.4-63.9176.8-76.100110.9I9 I71 N72 E73 A79I9-Q75 HydrophobicContact CD1-CB 3.87Å; I71-Q75 HydrophobicContact CG2-CB 4.39Å; N72-Q75 HydrophobicContact CB-CG 4.26Å; N72-Q75 PolarHBondContact ND2-OE1 3.45Å; N72-Q75 WeakPolarHBondContact O-CB 3.41Å; N72-Q75 PolarHBondContact O-N 3.28Å; E73-Q75 VanDerWaalsContact C-N 3.33Å; E73-Q75 PolarHBondContact O-N 3.5Å; Q75-A79 WeakPolarHBondContact O-CB 3.11Å; Q75-A79 PolarHBondContact O-N 3.45Å
76F87.5Confident85.3Confident34 Ų3479.8 Ų79.815%0.14942%0.417CS..Hα-helixtrans-63.5-46173.3176.1-118000112.1I13 M66 I71 N72 E73 D78 A79 C80I13-F76 HydrophobicContact CD1-CD2 3.13Å; I13-F76 HydrophobicContact CD1-CE2 3.22Å; I13-F76 HydrophobicContact CD1-CG 4.33Å; I13-F76 HydrophobicContact CD1-CZ 4.47Å; I13-F76 HydrophobicContact CG2-CE2 4.41Å; M66-F76 HydrophobicContact CE-CB 3.6Å; M66-F76 HydrophobicContact CE-CD1 4.1Å; M66-F76 HydrophobicContact CE-CG 3.97Å; M66-F76 HydrophobicContact SD-CB 4.43Å; M66-F76 HydrophobicContact SD-CD1 4.14Å; M66-F76 HydrophobicContact SD-CG 4.18Å; I71-F76 HydrophobicContact CG2-CB 4.14Å; N72-F76 PolarHBondContact O-N 3.26Å; E73-F76 PolarHBondContact O-N 3.2Å; F76-D78 PolarHBondContact O-N 2.99Å; F76-A79 PolarHBondContact O-N 3.41Å; F76-C80 WeakPolarHBondContact CE2-SG 3.41Å; F76-C80 VanDerWaalsContact CZ-SG 3.53Å; F76-C80 WeakPolarHBondContact O-CB 3.25Å; F76-C80 PolarHBondContact O-N 3.02Å; F76-C80 PolarHBondContact O-SG 2.83Å; F76-C80 VanDerWaalsContact O-SG 3.37Å
77L86.9Confident84.2Confident91 Ų9182.9 Ų82.948%0.47644%0.441SS..Hα-helixtrans-62.4-42.3177.8-73.4169.3000112.4E73 C80 T81E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.35Å; E73-L77 PolarHBondContact O-N 2.86Å; L77-C80 PolarHBondContact O-N 3.42Å; L77-T81 WeakPolarHBondContact O-CB 3.35Å; L77-T81 PolarHBondContact O-N 3.08Å; L77-T81 PolarHBondContact O-OG1 3.1Å
78D87.6Confident82.7Confident102 Ų10280.1 Ų80.155%0.54543%0.428SS..Hα-helixtrans-63.8-45.8176.4-164.334.6000110.9Q74 F76 C80 T81 S82Q74-D78 WeakPolarHBondContact O-CB 3.33Å; Q74-D78 PolarHBondContact O-N 2.82Å; F76-D78 PolarHBondContact O-N 2.99Å; D78-C80 PolarHBondContact O-N 3.31Å; D78-T81 PolarHBondContact O-N 2.83Å; D78-T81 VanDerWaalsContact O-N 3.08Å; D78-S82 PolarHBondContact O-N 3.31Å; D78-S82 VanDerWaalsContact O-N 3.15Å
79A85.9Confident81.1Confident0 Ų077 Ų770%042%0.424CS..Hα-helixtrans-60.2-42.5176.100000112.4I9 I10 Q75 F76 T81 S82I9-A79 HydrophobicContact CB-CB 4Å; I9-A79 HydrophobicContact CD1-CB 4.47Å; I9-A79 HydrophobicContact CG2-CB 3.68Å; I10-A79 HydrophobicContact CD1-CB 3.92Å; I10-A79 HydrophobicContact CG1-CB 4.04Å; Q75-A79 WeakPolarHBondContact O-CB 3.11Å; Q75-A79 PolarHBondContact O-N 3.45Å; F76-A79 PolarHBondContact O-N 3.41Å; A79-T81 VanDerWaalsContact C-N 3.29Å; A79-T81 PolarHBondContact O-N 3.16Å; A79-S82 WeakPolarHBondContact O-CB 3.2Å; A79-S82 PolarHBondContact O-N 3.33Å
80C82.7Confident79.5Confident43 Ų4380.2 Ų80.229%0.29144%0.439SS..Hα-helixtrans-69.3-24.2176.1-73.90000113.4F76 L77 D78F76-C80 WeakPolarHBondContact CE2-SG 3.41Å; F76-C80 VanDerWaalsContact CZ-SG 3.53Å; F76-C80 WeakPolarHBondContact O-CB 3.25Å; F76-C80 PolarHBondContact O-N 3.02Å; F76-C80 PolarHBondContact O-SG 2.83Å; F76-C80 VanDerWaalsContact O-SG 3.37Å; L77-C80 PolarHBondContact O-N 3.42Å; D78-C80 PolarHBondContact O-N 3.31Å
81T83.9Confident78.2Confident90 Ų9078 Ų7855%0.55241%0.414SS*.Hα-helixtrans-80.8-22.4177.7-56.20000111.9L77 D78 A79 R86L77-T81 WeakPolarHBondContact O-CB 3.35Å; L77-T81 PolarHBondContact O-N 3.08Å; L77-T81 PolarHBondContact O-OG1 3.1Å; D78-T81 PolarHBondContact O-N 2.83Å; D78-T81 VanDerWaalsContact O-N 3.08Å; A79-T81 VanDerWaalsContact C-N 3.29Å; A79-T81 PolarHBondContact O-N 3.16Å; T81-R86 PolarHBondContact O-NH1 3.24Å
82S82.1Confident77.3Confident24 Ų2483.9 Ų83.917%0.16844%0.441CS..SBendtrans-54.6144.8177.5-1800000112.8D78 A79 F84 A85D78-S82 PolarHBondContact O-N 3.31Å; D78-S82 VanDerWaalsContact O-N 3.15Å; A79-S82 WeakPolarHBondContact O-CB 3.2Å; A79-S82 PolarHBondContact O-N 3.33Å; S82-F84 PolarHBondContact O-N 3.09Å; S82-F84 VanDerWaalsContact O-N 3.16Å; S82-F84 PolarHBondContact OG-N 3.33Å; S82-A85 PolarHBondContact O-N 2.8Å
83P75.3Confident76.8Confident105 Ų10584 Ų8468%0.68244%0.442SS*.G310 helixtrans-58.3-24.5172.224.7-35.1000112.9A85 R86 S87P83-A85 VanDerWaalsContact C-N 3.35Å; P83-A85 PolarHBondContact O-N 2.81Å; P83-R86 PolarHBondContact O-N 3.38Å; P83-S87 PolarHBondContact O-N 3.26Å
84F69.9Low76.7Confident54 Ų5480.3 Ų80.324%0.23743%0.425CS..G310 helixtrans-60-43.7179.5-168-101.9000111.9E7 I10 S82 R86 S87 Q91E7-F84 HydrophobicContact CB-CE1 4.47Å; E7-F84 HydrophobicContact CG-CD1 4.42Å; E7-F84 HydrophobicContact CG-CE1 3.85Å; E7-F84 HydrophobicContact CG-CE2 4.07Å; E7-F84 HydrophobicContact CG-CZ 3.65Å; E7-F84 WeakPolarHBondContact OE1-CE2 3.33Å; E7-F84 WeakPolarHBondContact OE1-CZ 3.48Å; I10-F84 HydrophobicContact CB-CD1 4.11Å; I10-F84 HydrophobicContact CB-CE1 4.36Å; I10-F84 HydrophobicContact CG2-CD1 3.97Å; I10-F84 HydrophobicContact CG2-CE1 4.12Å; S82-F84 PolarHBondContact O-N 3.09Å; S82-F84 VanDerWaalsContact O-N 3.16Å; S82-F84 PolarHBondContact OG-N 3.33Å; F84-R86 PolarHBondContact O-N 3.38Å; F84-R86 VanDerWaalsContact O-N 3.11Å; F84-S87 PolarHBondContact O-N 3.28Å; F84-S87 VanDerWaalsContact O-N 3.16Å; F84-S87 PolarHBondContact O-OG 2.8Å; F84-Q91 PolarHBondContact O-OE1 3.41Å
85A70.8Confident76.6Confident22 Ų2274.7 Ų74.718%0.18240%0.399CS..G310 helixtrans-63.4-17.9179.500000114.4I10 S82 P83I10-A85 HydrophobicContact CD1-CB 4.11Å; I10-A85 HydrophobicContact CG1-CB 4.41Å; S82-A85 PolarHBondContact O-N 2.8Å; P83-A85 VanDerWaalsContact C-N 3.35Å; P83-A85 PolarHBondContact O-N 2.81Å
86R67.1Low76.7Confident180 Ų18073 Ų7368%0.67939%0.391SS*.G310 helixtrans-99.5-9.3-179.8-61.2-171.9-174.785.50.5113.8T81 P83 F84T81-R86 PolarHBondContact O-NH1 3.24Å; P83-R86 PolarHBondContact O-N 3.38Å; F84-R86 PolarHBondContact O-N 3.38Å; F84-R86 VanDerWaalsContact O-N 3.11Å
87S68.3Low76.9Confident86 Ų8672.4 Ų72.460%0.60139%0.39SS*.SBendtrans-92.2-15.5-161.367.80000115P83 F84P83-S87 PolarHBondContact O-N 3.26Å; F84-S87 PolarHBondContact O-N 3.28Å; F84-S87 VanDerWaalsContact O-N 3.16Å; F84-S87 PolarHBondContact O-OG 2.8Å
88Q63.9Low77.1Confident99 Ų9969.2 Ų69.246%0.46338%0.375SS..  trans-111.3115.2-174.3-146.6172.421.700110.9L90 Q91 Q92Q88-L90 PolarHBondContact O-N 3.06Å; Q88-Q91 HydrophobicContact CB-CB 4.07Å; Q88-Q91 HydrophobicContact CB-CG 3.71Å; Q88-Q91 HydrophobicContact CG-CG 4.36Å; Q88-Q91 VanDerWaalsContact O-CB 3.31Å; Q88-Q91 WeakPolarHBondContact O-CB 3.39Å; Q88-Q91 PolarHBondContact O-N 2.9Å; Q88-Q91 VanDerWaalsContact OE1-CG 3.29Å; Q88-Q92 PolarHBondContact O-N 2.87Å
89S59.4Low77.2Confident92 Ų9269.3 Ų69.364%0.64337%0.374SS*.Hα-helixtrans-59.9-28.4179.460.90000113.5Q92S89-Q92 VanDerWaalsContact O-CB 3.28Å; S89-Q92 WeakPolarHBondContact O-CB 3.1Å; S89-Q92 PolarHBondContact O-N 3.43Å
90L57.9Low77.6Confident122 Ų12269.3 Ų69.364%0.63937%0.374SS*.Hα-helixtrans-71.5-30174.4-71169.7000112.7Q88 Q92 M94Q88-L90 PolarHBondContact O-N 3.06Å; L90-Q92 PolarHBondContact O-N 3.21Å; L90-M94 WeakPolarHBondContact O-CG 3.4Å; L90-M94 PolarHBondContact O-N 2.88Å
91Q64.9Low78.1Confident5 Ų568 Ų682%0.02337%0.365CS..Hα-helixtrans-66.6-32.8171.6-71.6173.2-37.900110.1I10 V14 F84 Q88 D93 M94 F95I10-Q91 VanDerWaalsContact CG2-NE2 3.28Å; V14-Q91 HydrophobicContact CG2-CG 3.94Å; F84-Q91 PolarHBondContact O-OE1 3.41Å; Q88-Q91 HydrophobicContact CB-CB 4.07Å; Q88-Q91 HydrophobicContact CB-CG 3.71Å; Q88-Q91 HydrophobicContact CG-CG 4.36Å; Q88-Q91 VanDerWaalsContact O-CB 3.31Å; Q88-Q91 WeakPolarHBondContact O-CB 3.39Å; Q88-Q91 PolarHBondContact O-N 2.9Å; Q88-Q91 VanDerWaalsContact OE1-CG 3.29Å; Q91-D93 VanDerWaalsContact C-N 3.35Å; Q91-D93 PolarHBondContact O-N 2.86Å; Q91-M94 PolarHBondContact O-N 3.35Å; Q91-F95 HydrophobicContact CB-CD2 3.86Å; Q91-F95 HydrophobicContact CB-CE2 3.92Å; Q91-F95 HydrophobicContact CG-CE2 4.3Å; Q91-F95 WeakPolarHBondContact O-CB 3.16Å; Q91-F95 WeakPolarHBondContact O-CD2 3.42Å; Q91-F95 PolarHBondContact O-N 3.22Å
92Q73.1Confident78.4Confident136 Ų13670.5 Ų70.564%0.63638%0.375SS*.Hα-helixtrans-60.2-41.7-178.7-165.2171.2-1.700112.9Q88 S89 L90 Q96Q88-Q92 PolarHBondContact O-N 2.87Å; S89-Q92 VanDerWaalsContact O-CB 3.28Å; S89-Q92 WeakPolarHBondContact O-CB 3.1Å; S89-Q92 PolarHBondContact O-N 3.43Å; L90-Q92 PolarHBondContact O-N 3.21Å; Q92-Q96 PolarHBondContact O-N 3.41Å; Q92-Q96 VanDerWaalsContact O-N 3.12Å
93D80.3Confident78.9Confident110 Ų11072.8 Ų72.859%0.58839%0.386SS*.Hα-helixtrans-70.6-37.6176.8-69.3-11.1000111.8Q91 Q96Q91-D93 VanDerWaalsContact C-N 3.35Å; Q91-D93 PolarHBondContact O-N 2.86Å; D93-Q96 WeakPolarHBondContact O-CB 3.47Å; D93-Q96 PolarHBondContact O-N 3.18Å
94M84.9Confident79.6Confident61 Ų6169.6 Ų69.630%0.336%0.361SS..Hα-helixtrans-72.7-32.6179.7-65.5-170.772.300113.1V14 L17 G18 L90 Q91 Q96 P97V14-M94 HydrophobicContact CG1-CE 4.21Å; V14-M94 HydrophobicContact CG1-SD 3.81Å; V14-M94 WeakPolarHBondContact O-CE 3.11Å; L17-M94 HydrophobicContact CB-CE 4.18Å; G18-M94 VanDerWaalsContact CA-CE 3.42Å; L90-M94 WeakPolarHBondContact O-CG 3.4Å; L90-M94 PolarHBondContact O-N 2.88Å; Q91-M94 PolarHBondContact O-N 3.35Å; M94-Q96 VanDerWaalsContact C-N 3.35Å; M94-P97 WeakPolarHBondContact O-CD 3.4Å
95F87.3Confident80.6Confident26 Ų2673 Ų7311%0.11438%0.378CS..Hα-helixtrans-82.6-11.3174.2-77-70000112.7I13 V14 L17 Q91 P97 V98 L99I13-F95 HydrophobicContact CG2-CE1 4.14Å; I13-F95 HydrophobicContact CG2-CZ 4.41Å; V14-F95 HydrophobicContact CG2-CE2 3.6Å; V14-F95 HydrophobicContact CG2-CZ 3.73Å; L17-F95 HydrophobicContact CD1-CD1 3.56Å; L17-F95 HydrophobicContact CD1-CE1 3.52Å; L17-F95 HydrophobicContact CD1-CG 4.21Å; L17-F95 HydrophobicContact CD1-CZ 4.13Å; Q91-F95 HydrophobicContact CB-CD2 3.86Å; Q91-F95 HydrophobicContact CB-CE2 3.92Å; Q91-F95 HydrophobicContact CG-CE2 4.3Å; Q91-F95 WeakPolarHBondContact O-CB 3.16Å; Q91-F95 WeakPolarHBondContact O-CD2 3.42Å; Q91-F95 PolarHBondContact O-N 3.22Å; F95-P97 VanDerWaalsContact C-N 3.35Å; F95-V98 HydrophobicContact CD1-CB 4.42Å; F95-V98 HydrophobicContact CD1-CG2 4.39Å; F95-V98 CarbonylContact O-C 3.59Å; F95-V98 WeakPolarHBondContact O-CA 3.42Å; F95-V98 WeakPolarHBondContact O-CB 3.49Å; F95-V98 PolarHBondContact O-N 2.75Å; F95-L99 HydrophobicContact CB-CD1 4.47Å; F95-L99 HydrophobicContact CB-CG 4.49Å; F95-L99 WeakPolarHBondContact O-CG 3.41Å; F95-L99 PolarHBondContact O-N 3.27Å
96Q90.4Very high81.5Confident52 Ų5273.7 Ų73.724%0.24338%0.38CS..Hα-helixtrans-54.6-43-179.5-166.6-175.9-19.100113.2Q92 D93 M94 V98 L99 A100 V106 L110Q92-Q96 PolarHBondContact O-N 3.41Å; Q92-Q96 VanDerWaalsContact O-N 3.12Å; D93-Q96 WeakPolarHBondContact O-CB 3.47Å; D93-Q96 PolarHBondContact O-N 3.18Å; M94-Q96 VanDerWaalsContact C-N 3.35Å; Q96-V98 VanDerWaalsContact C-N 3.3Å; Q96-V98 PolarHBondContact O-N 3.27Å; Q96-L99 PolarHBondContact O-N 3.16Å; Q96-A100 WeakPolarHBondContact O-CB 3.37Å; Q96-A100 PolarHBondContact O-N 3.08Å; Q96-V106 HydrophobicContact CG-CG1 3.65Å; Q96-L110 HydrophobicContact CG-CD1 4.24Å; Q96-L110 HydrophobicContact CG-CD2 4.19Å; Q96-L110 HydrophobicContact CG-CG 4.37Å; Q96-L110 VanDerWaalsContact NE2-CD2 3.31Å
97P91.7Very high82.8Confident21 Ų2165.2 Ų65.214%0.13635%0.348CS..Hα-helixtrans-62.2-34.3172.7-23.536.4000113.4W22 V26 Y54 M94 F95W22-P97 HydrophobicContact CZ2-CB 4.16Å; V26-P97 HydrophobicContact CG1-CB 4.3Å; Y54-P97 WeakPolarHBondContact CE1-O 3.39Å; Y54-P97 VanDerWaalsContact OH-C 3.31Å; Y54-P97 WeakPolarHBondContact OH-CA 3.22Å; Y54-P97 VanDerWaalsContact OH-CB 3.25Å; Y54-P97 WeakPolarHBondContact OH-CB 3.41Å; Y54-P97 PolarHBondContact OH-O 3.35Å; M94-P97 WeakPolarHBondContact O-CD 3.4Å; F95-P97 VanDerWaalsContact C-N 3.35Å
98V92.4Very high83.8Confident24 Ų2462.5 Ų62.515%0.14532%0.324CS..Hα-helixtrans-71.6-46.7176.1-177.20000110.4L17 W22 L62 F95 Q96 A100 T101L17-V98 HydrophobicContact CD1-CG2 4.04Å; L17-V98 HydrophobicContact CD2-CG2 3.69Å; W22-V98 HydrophobicContact CH2-CG2 3.85Å; W22-V98 HydrophobicContact CZ2-CG2 3.79Å; L62-V98 HydrophobicContact CD1-CG1 4.11Å; F95-V98 HydrophobicContact CD1-CB 4.42Å; F95-V98 HydrophobicContact CD1-CG2 4.39Å; F95-V98 CarbonylContact O-C 3.59Å; F95-V98 WeakPolarHBondContact O-CA 3.42Å; F95-V98 WeakPolarHBondContact O-CB 3.49Å; F95-V98 PolarHBondContact O-N 2.75Å; Q96-V98 VanDerWaalsContact C-N 3.3Å; Q96-V98 PolarHBondContact O-N 3.27Å; V98-A100 PolarHBondContact O-N 3.47Å; V98-T101 WeakPolarHBondContact O-CB 3.23Å; V98-T101 WeakPolarHBondContact O-CG2 3.33Å; V98-T101 PolarHBondContact O-N 3.19Å; V98-T101 PolarHBondContact O-OG1 2.68Å
99L89.3Confident85.1Confident103 Ų10360.8 Ų60.854%0.53932%0.323SS..Hα-helixtrans-63.2-29.5178.3-66.1173.3000112.6F95 Q96 T101 D102 D103F95-L99 HydrophobicContact CB-CD1 4.47Å; F95-L99 HydrophobicContact CB-CG 4.49Å; F95-L99 WeakPolarHBondContact O-CG 3.41Å; F95-L99 PolarHBondContact O-N 3.27Å; Q96-L99 PolarHBondContact O-N 3.16Å; L99-T101 PolarHBondContact O-N 2.95Å; L99-T101 VanDerWaalsContact O-N 3.16Å; L99-D102 PolarHBondContact O-N 3.41Å; L99-D103 PolarHBondContact O-N 2.93Å; L99-D103 VanDerWaalsContact O-N 3.13Å
100A93.3Very high86.6Confident0 Ų057.2 Ų57.20%030%0.297CS..THydrogen-bonded Turntrans-61.8-16.6174.900000113.3H51 Y54 Q96 V98 D102 V106 F107 L110H51-A100 PolarHBondContact NE2-O 2.72Å; Y54-A100 HydrophobicContact CE1-CB 3.9Å; Q96-A100 WeakPolarHBondContact O-CB 3.37Å; Q96-A100 PolarHBondContact O-N 3.08Å; V98-A100 PolarHBondContact O-N 3.47Å; A100-D102 VanDerWaalsContact C-N 3.32Å; A100-V106 HydrophobicContact CB-CB 4.37Å; A100-V106 HydrophobicContact CB-CG1 3.97Å; A100-F107 HydrophobicContact CB-CB 4.05Å; A100-L110 HydrophobicContact CB-CD1 3.76Å
101T94.3Very high88.3Confident16 Ų1651.4 Ų51.410%0.09827%0.267CS..THydrogen-bonded Turntrans-65.4-37.717460.80000111.8H51 Y54 K55 V58 V98 L99H51-T101 PolarHBondContact CE1-O 3.44Å; H51-T101 VanDerWaalsContact CE1-O 3.27Å; H51-T101 PolarHBondContact NE2-O 3.37Å; Y54-T101 HydrophobicContact CD1-CG2 4.43Å; Y54-T101 HydrophobicContact CE1-CG2 4.19Å; K55-T101 WeakPolarHBondContact CE-O 3.48Å; K55-T101 WeakPolarHBondContact CG-O 3.44Å; K55-T101 PolarHBondContact NZ-O 3.33Å; V58-T101 HydrophobicContact CB-CG2 3.6Å; V58-T101 HydrophobicContact CG1-CG2 3.4Å; V58-T101 HydrophobicContact CG2-CG2 3.93Å; V98-T101 WeakPolarHBondContact O-CB 3.23Å; V98-T101 WeakPolarHBondContact O-CG2 3.33Å; V98-T101 PolarHBondContact O-N 3.19Å; V98-T101 PolarHBondContact O-OG1 2.68Å; L99-T101 PolarHBondContact O-N 2.95Å; L99-T101 VanDerWaalsContact O-N 3.16Å
102D90.4Very high89.5Confident142 Ų14253.4 Ų53.476%0.75928%0.279SS*.THydrogen-bonded Turntrans-95.9-27.6-177.6-67.7-34.2000112.7L99 A100L99-D102 PolarHBondContact O-N 3.41Å; A100-D102 VanDerWaalsContact C-N 3.32Å
103D91.8Very high90.4Very high73 Ų7351.6 Ų51.639%0.3927%0.27SS..  trans-105.5106.6178.1-167.4-26.7000111.9L99 Q105 V106 F107L99-D103 PolarHBondContact O-N 2.93Å; L99-D103 VanDerWaalsContact O-N 3.13Å; D103-Q105 VanDerWaalsContact C-N 3.28Å; D103-Q105 PolarHBondContact O-N 3.17Å; D103-Q105 WeakPolarHBondContact OD1-CA 2.93Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.35Å; D103-Q105 PolarHBondContact OD1-N 3.49Å; D103-V106 HydrophobicContact CB-CB 4.05Å; D103-V106 HydrophobicContact CB-CG2 3.82Å; D103-V106 PolarHBondContact O-N 3.11Å; D103-V106 PolarHBondContact OD1-N 2.95Å; D103-F107 PolarHBondContact O-N 3.46Å
104F90.5Very high91Very high38 Ų3848.2 Ų48.217%0.16725%0.25CS..Hα-helixtrans-63.1-30.3176.9179.3-99.5000113.3Y47 H51 F107 R108Y47-F104 HydrophobicContact CD2-CZ 4.34Å; Y47-F104 HydrophobicContact CG-CZ 4.48Å; H51-F104 HydrophobicContact CB-CD2 3.98Å; H51-F104 HydrophobicContact CB-CE2 4.18Å; H51-F104 AromaticContact CG-CD2 3.88Å; H51-F104 AromaticContact ND1-CD2 3.72Å; F104-F107 AromaticContact CD2-CD1 4Å; F104-F107 HydrophobicContact CD2-CD1 4Å; F104-F107 AromaticContact CE2-CD1 3.97Å; F104-F107 HydrophobicContact CE2-CD1 3.97Å; F104-F107 HydrophobicContact CE2-CE1 4.32Å; F104-F107 PolarHBondContact O-N 2.89Å; F104-R108 WeakPolarHBondContact O-CB 3.41Å; F104-R108 PolarHBondContact O-N 2.72Å
105Q89.8Confident91.3Very high125 Ų12546.4 Ų46.458%0.58424%0.242SC*.Hα-helixtrans-71.1-40.2178.1-66-61.3-46.500111.1D103 F107 R108 S109D103-Q105 VanDerWaalsContact C-N 3.28Å; D103-Q105 PolarHBondContact O-N 3.17Å; D103-Q105 WeakPolarHBondContact OD1-CA 2.93Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.35Å; D103-Q105 PolarHBondContact OD1-N 3.49Å; Q105-F107 VanDerWaalsContact C-N 3.34Å; Q105-R108 PolarHBondContact O-N 3.01Å; Q105-S109 WeakPolarHBondContact O-CB 3.31Å; Q105-S109 PolarHBondContact O-N 3.39Å
106V91.5Very high91.5Very high37 Ų3750.4 Ų50.422%0.22426%0.262CS..Hα-helixtrans-63.5-43.7173.2179.70000110.1Q96 A100 D103 S109 L110Q96-V106 HydrophobicContact CG-CG1 3.65Å; A100-V106 HydrophobicContact CB-CB 4.37Å; A100-V106 HydrophobicContact CB-CG1 3.97Å; D103-V106 HydrophobicContact CB-CB 4.05Å; D103-V106 HydrophobicContact CB-CG2 3.82Å; D103-V106 PolarHBondContact O-N 3.11Å; D103-V106 PolarHBondContact OD1-N 2.95Å; V106-S109 PolarHBondContact O-N 3.23Å; V106-L110 HydrophobicContact CG1-CD1 4.49Å; V106-L110 WeakPolarHBondContact O-CG 3.38Å; V106-L110 PolarHBondContact O-N 2.97Å
107F93.2Very high91.5Very high1 Ų152.3 Ų52.30%0.00427%0.271CS..Hα-helixtrans-57.1-51.8173.1171-102.8000112.3F29 L37 I50 H51 Y54 A100 D103 F104 Q105 S109 L110 M111F29-F107 HydrophobicContact CE1-CE2 4.44Å; L37-F107 HydrophobicContact CD1-CE1 4.27Å; L37-F107 HydrophobicContact CD1-CZ 4.43Å; I50-F107 HydrophobicContact CG2-CZ 3.89Å; H51-F107 HydrophobicContact CB-CD1 3.98Å; H51-F107 HydrophobicContact CB-CE1 3.88Å; H51-F107 HydrophobicContact CB-CZ 4.39Å; H51-F107 AromaticContact CD2-CD1 3.66Å; H51-F107 AromaticContact CD2-CD2 3.76Å; H51-F107 AromaticContact CD2-CG 3.41Å; H51-F107 VanDerWaalsContact CD2-CG 3.41Å; H51-F107 WeakPolarHBondContact CD2-CG 3.16Å; Y54-F107 AromaticContact CD1-CD2 3.68Å; Y54-F107 HydrophobicContact CD1-CD2 3.68Å; Y54-F107 AromaticContact CD1-CE2 3.97Å; Y54-F107 HydrophobicContact CD1-CE2 3.97Å; Y54-F107 HydrophobicContact CD2-CD2 4.33Å; Y54-F107 AromaticContact CD2-CE2 3.96Å; Y54-F107 HydrophobicContact CD2-CE2 3.96Å; Y54-F107 HydrophobicContact CE1-CD2 4.08Å; Y54-F107 AromaticContact CG-CD2 3.8Å; Y54-F107 HydrophobicContact CG-CD2 3.8Å; Y54-F107 AromaticContact CG-CE2 3.58Å; Y54-F107 HydrophobicContact CG-CE2 3.58Å; A100-F107 HydrophobicContact CB-CB 4.05Å; D103-F107 PolarHBondContact O-N 3.46Å; F104-F107 AromaticContact CD2-CD1 4Å; F104-F107 HydrophobicContact CD2-CD1 4Å; F104-F107 AromaticContact CE2-CD1 3.97Å; F104-F107 HydrophobicContact CE2-CD1 3.97Å; F104-F107 HydrophobicContact CE2-CE1 4.32Å; F104-F107 PolarHBondContact O-N 2.89Å; Q105-F107 VanDerWaalsContact C-N 3.34Å; F107-S109 VanDerWaalsContact C-N 3.3Å; F107-S109 PolarHBondContact O-N 3.43Å; F107-L110 PolarHBondContact O-N 3.34Å; F107-M111 HydrophobicContact CD1-CG 4.42Å; F107-M111 HydrophobicContact CD2-CG 4.13Å; F107-M111 HydrophobicContact CE1-CG 3.98Å; F107-M111 HydrophobicContact CE2-CG 3.64Å; F107-M111 HydrophobicContact CE2-SD 3.82Å; F107-M111 HydrophobicContact CG-CG 4.48Å; F107-M111 HydrophobicContact CZ-CE 4.27Å; F107-M111 HydrophobicContact CZ-CG 3.54Å; F107-M111 HydrophobicContact CZ-SD 3.97Å; F107-M111 VanDerWaalsContact O-CG 3.28Å; F107-M111 WeakPolarHBondContact O-CG 3.35Å; F107-M111 PolarHBondContact O-N 3.33Å
108R89.9Confident91.6Very high29 Ų2953.7 Ų53.711%0.10928%0.277CS..Hα-helixtrans-56.7-46.1177.9-179.5-179.2171.9132-0.8111D39 E40 F104 Q105 L110 M111 V112D39-R108 PolarHBondContact O-NH2 2.97Å; D39-R108 IonicContact OD1-NH2 3.88Å; E40-R108 PolarHBondContact O-NH2 3.46Å; F104-R108 WeakPolarHBondContact O-CB 3.41Å; F104-R108 PolarHBondContact O-N 2.72Å; Q105-R108 PolarHBondContact O-N 3.01Å; R108-L110 PolarHBondContact O-N 3.43Å; R108-M111 PolarHBondContact O-N 3.05Å; R108-V112 HydrophobicContact CG-CG2 4.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.26Å; R108-V112 PolarHBondContact O-N 3.21Å
109S90.5Very high91.4Very high64 Ų6458 Ų5845%0.44830%0.296SS..Hα-helixtrans-58.2-47178.3-175.20000111.9Q105 V106 F107 M111 V112 Q113Q105-S109 WeakPolarHBondContact O-CB 3.31Å; Q105-S109 PolarHBondContact O-N 3.39Å; V106-S109 PolarHBondContact O-N 3.23Å; F107-S109 VanDerWaalsContact C-N 3.3Å; F107-S109 PolarHBondContact O-N 3.43Å; S109-M111 VanDerWaalsContact C-N 3.35Å; S109-M111 PolarHBondContact O-N 2.98Å; S109-V112 PolarHBondContact O-N 3.47Å; S109-Q113 VanDerWaalsContact O-CB 3.22Å; S109-Q113 WeakPolarHBondContact O-CB 3.39Å; S109-Q113 PolarHBondContact O-N 2.87Å
110L91.9Very high91.4Very high17 Ų1757.9 Ų57.99%0.08930%0.295CS..Hα-helixtrans-60.2-43.7176.5-76.1175000112.3M30 Q96 A100 V106 F107 R108 Q113 K114M30-L110 HydrophobicContact SD-CB 4.39Å; Q96-L110 HydrophobicContact CG-CD1 4.24Å; Q96-L110 HydrophobicContact CG-CD2 4.19Å; Q96-L110 HydrophobicContact CG-CG 4.37Å; Q96-L110 VanDerWaalsContact NE2-CD2 3.31Å; A100-L110 HydrophobicContact CB-CD1 3.76Å; V106-L110 HydrophobicContact CG1-CD1 4.49Å; V106-L110 WeakPolarHBondContact O-CG 3.38Å; V106-L110 PolarHBondContact O-N 2.97Å; F107-L110 PolarHBondContact O-N 3.34Å; R108-L110 PolarHBondContact O-N 3.43Å; L110-Q113 PolarHBondContact O-N 2.87Å; L110-K114 WeakPolarHBondContact O-CB 3.39Å; L110-K114 WeakPolarHBondContact O-CG 3.39Å; L110-K114 PolarHBondContact O-N 3.24Å
111M92.6Very high91.4Very high0 Ų062.9 Ų62.90%032%0.318CS..Hα-helixtrans-66.4-45.5180-65.4-62.6-7500111.8M30 K33 C34 L37 I50 F107 R108 S109 Q113 K114 N115M30-M111 HydrophobicContact CB-SD 3.95Å; M30-M111 HydrophobicContact CG-SD 3.68Å; K33-M111 HydrophobicContact CB-CE 3.45Å; K33-M111 VanDerWaalsContact CB-CE 3.45Å; C34-M111 HydrophobicContact CB-CB 4.45Å; C34-M111 HydrophobicContact CB-CE 3.98Å; C34-M111 VanDerWaalsContact CB-O 3.24Å; C34-M111 WeakPolarHBondContact CB-O 3.47Å; C34-M111 VanDerWaalsContact N-CE 3.29Å; L37-M111 HydrophobicContact CD1-CB 3.36Å; L37-M111 HydrophobicContact CD1-CE 3.63Å; L37-M111 HydrophobicContact CD1-CG 3.5Å; L37-M111 VanDerWaalsContact CD1-CG 3.5Å; L37-M111 HydrophobicContact CD1-SD 4.43Å; I50-M111 HydrophobicContact CG2-CE 4.43Å; F107-M111 HydrophobicContact CD1-CG 4.42Å; F107-M111 HydrophobicContact CD2-CG 4.13Å; F107-M111 HydrophobicContact CE1-CG 3.98Å; F107-M111 HydrophobicContact CE2-CG 3.64Å; F107-M111 HydrophobicContact CE2-SD 3.82Å; F107-M111 HydrophobicContact CG-CG 4.48Å; F107-M111 HydrophobicContact CZ-CE 4.27Å; F107-M111 HydrophobicContact CZ-CG 3.54Å; F107-M111 HydrophobicContact CZ-SD 3.97Å; F107-M111 VanDerWaalsContact O-CG 3.28Å; F107-M111 WeakPolarHBondContact O-CG 3.35Å; F107-M111 PolarHBondContact O-N 3.33Å; R108-M111 PolarHBondContact O-N 3.05Å; S109-M111 VanDerWaalsContact C-N 3.35Å; S109-M111 PolarHBondContact O-N 2.98Å; M111-Q113 VanDerWaalsContact C-N 3.34Å; M111-K114 PolarHBondContact O-N 3.31Å; M111-N115 PolarHBondContact O-N 2.75Å
112V89.9Confident91.1Very high46 Ų4664.5 Ų64.528%0.27933%0.334SS..Hα-helixtrans-63.6-42.2176.5172.40000110.7R108 S109 K114 N115 M116R108-V112 HydrophobicContact CG-CG2 4.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.26Å; R108-V112 PolarHBondContact O-N 3.21Å; S109-V112 PolarHBondContact O-N 3.47Å; V112-K114 VanDerWaalsContact C-N 3.34Å; V112-K114 PolarHBondContact O-N 2.99Å; V112-N115 WeakPolarHBondContact O-CB 3.4Å; V112-N115 PolarHBondContact O-N 3.18Å; V112-M116 PolarHBondContact O-N 3.48Å
113Q91.7Very high90.9Very high98 Ų9860.2 Ų60.246%0.45831%0.311SS..Hα-helixtrans-59.4-44.7175.3-180178.5-35.300111.5S109 L110 M111 M116 E117S109-Q113 VanDerWaalsContact O-CB 3.22Å; S109-Q113 WeakPolarHBondContact O-CB 3.39Å; S109-Q113 PolarHBondContact O-N 2.87Å; L110-Q113 PolarHBondContact O-N 2.87Å; M111-Q113 VanDerWaalsContact C-N 3.34Å; Q113-M116 PolarHBondContact O-N 3.25Å; Q113-E117 PolarHBondContact O-N 2.97Å
114K93.1Very high90.6Very high39 Ų3965.3 Ų65.317%0.1732%0.324CS..Hα-helixtrans-65.6-38.7176.1-78.2-73.1167.3-163.70112.7M30 C34 L110 M111 V112 E117 L118M30-K114 HydrophobicContact CB-CB 4.33Å; M30-K114 HydrophobicContact CB-CG 4.04Å; M30-K114 HydrophobicContact CE-CD 4.22Å; M30-K114 HydrophobicContact CE-CG 4.04Å; M30-K114 HydrophobicContact SD-CG 3.94Å; C34-K114 HydrophobicContact CB-CB 4.49Å; L110-K114 WeakPolarHBondContact O-CB 3.39Å; L110-K114 WeakPolarHBondContact O-CG 3.39Å; L110-K114 PolarHBondContact O-N 3.24Å; M111-K114 PolarHBondContact O-N 3.31Å; V112-K114 VanDerWaalsContact C-N 3.34Å; V112-K114 PolarHBondContact O-N 2.99Å; K114-E117 IonicContact NZ-OE1 2.81Å; K114-E117 IonicContact NZ-OE2 3.78Å; K114-E117 PolarHBondContact NZ-OE2 3.47Å; K114-E117 PolarHBondContact O-N 3.2Å; K114-L118 WeakPolarHBondContact O-CG 3.49Å; K114-L118 PolarHBondContact O-N 2.85Å
115N91.8Very high90.6Very high24 Ų2466.7 Ų66.713%0.12834%0.336CS..Hα-helixtrans-59.7-48.8173.6-169.2-55.5000111C34 T35 M111 V112 E117 L118 Q119C34-N115 HydrophobicContact CB-CB 3.96Å; C34-N115 PolarHBondContact O-ND2 3.36Å; T35-N115 WeakPolarHBondContact CA-ND2 3.45Å; M111-N115 PolarHBondContact O-N 2.75Å; V112-N115 WeakPolarHBondContact O-CB 3.4Å; V112-N115 PolarHBondContact O-N 3.18Å; N115-E117 VanDerWaalsContact C-N 3.32Å; N115-E117 PolarHBondContact O-N 3.49Å; N115-L118 PolarHBondContact O-N 3.16Å; N115-Q119 WeakPolarHBondContact O-CG 3.28Å; N115-Q119 PolarHBondContact O-N 3.24Å; N115-Q119 PolarHBondContact OD1-NE2 2.9Å
116M90.4Very high90.4Very high109 Ų10963.4 Ų63.454%0.53732%0.322SS..Hα-helixtrans-59.4-42.3177.2-175.1176.766.700112V112 Q113 Q119 L120V112-M116 PolarHBondContact O-N 3.48Å; Q113-M116 PolarHBondContact O-N 3.25Å; M116-Q119 PolarHBondContact O-N 3.33Å; M116-L120 HydrophobicContact CG-CD1 4.31Å; M116-L120 VanDerWaalsContact O-CG 3.31Å; M116-L120 WeakPolarHBondContact O-CG 3.44Å; M116-L120 PolarHBondContact O-N 3.31Å
117E91.9Very high90.1Very high92 Ų9267.4 Ų67.443%0.4334%0.336SS..Hα-helixtrans-59-47.7175.2-175.2-180179.800111.8Q113 K114 N115 Q119 L120 Q121Q113-E117 PolarHBondContact O-N 2.97Å; K114-E117 IonicContact NZ-OE1 2.81Å; K114-E117 IonicContact NZ-OE2 3.78Å; K114-E117 PolarHBondContact NZ-OE2 3.47Å; K114-E117 PolarHBondContact O-N 3.2Å; N115-E117 VanDerWaalsContact C-N 3.32Å; N115-E117 PolarHBondContact O-N 3.49Å; E117-Q119 PolarHBondContact O-N 3.18Å; E117-L120 PolarHBondContact O-N 2.92Å; E117-Q121 PolarHBondContact O-N 3.29Å
118L92.4Very high89.9Confident51 Ų5174.9 Ų74.927%0.26737%0.371SS..Hα-helixtrans-63-40.6177.4-73.3178.8000112.4E31 K114 N115 Q121 A122E31-L118 HydrophobicContact CB-CD1 4.12Å; E31-L118 HydrophobicContact CG-CD1 4.14Å; E31-L118 HydrophobicContact CG-CD2 4.28Å; K114-L118 WeakPolarHBondContact O-CG 3.49Å; K114-L118 PolarHBondContact O-N 2.85Å; N115-L118 PolarHBondContact O-N 3.16Å; L118-Q121 PolarHBondContact O-N 3.11Å; L118-A122 WeakPolarHBondContact O-CB 3.43Å; L118-A122 PolarHBondContact O-N 3.47Å
119Q90.1Very high89.6Confident115 Ų11581.5 Ų81.554%0.53740%0.4SS..Hα-helixtrans-61.1-45.9175-70.6-178.615.500111.4N115 M116 E117 Q121 A122 L123N115-Q119 WeakPolarHBondContact O-CG 3.28Å; N115-Q119 PolarHBondContact O-N 3.24Å; N115-Q119 PolarHBondContact OD1-NE2 2.9Å; M116-Q119 PolarHBondContact O-N 3.33Å; E117-Q119 PolarHBondContact O-N 3.18Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q119-Q121 PolarHBondContact O-N 3.45Å; Q119-A122 PolarHBondContact O-N 2.8Å; Q119-L123 WeakPolarHBondContact O-CG 3.31Å; Q119-L123 PolarHBondContact O-N 3.34Å
120L88.9Confident89.1Confident99 Ų9983.5 Ų83.552%0.51841%0.406SS..Hα-helixtrans-63.7-38.1177-70.6173.1000112M116 E117 L123 R124M116-L120 HydrophobicContact CG-CD1 4.31Å; M116-L120 VanDerWaalsContact O-CG 3.31Å; M116-L120 WeakPolarHBondContact O-CG 3.44Å; M116-L120 PolarHBondContact O-N 3.31Å; E117-L120 PolarHBondContact O-N 2.92Å; L120-L123 HydrophobicContact CD2-CD1 4.45Å; L120-L123 PolarHBondContact O-N 3.45Å; L120-R124 PolarHBondContact O-N 3.31Å
121Q91.9Very high88.4Confident105 Ų10586 Ų8649%0.49144%0.436SS..Hα-helixtrans-64.6-43.9174-176.9173.9-19.400111.5E117 L118 Q119 L123 R124 V125E117-Q121 PolarHBondContact O-N 3.29Å; L118-Q121 PolarHBondContact O-N 3.11Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q119-Q121 PolarHBondContact O-N 3.45Å; Q121-L123 PolarHBondContact O-N 3.34Å; Q121-R124 WeakPolarHBondContact O-CB 3.41Å; Q121-R124 PolarHBondContact O-N 3.12Å; Q121-V125 WeakPolarHBondContact O-CG2 3.47Å; Q121-V125 PolarHBondContact O-N 3.2Å
122A88.6Confident87.6Confident51 Ų5188.9 Ų88.942%0.42146%0.46SS..Hα-helixtrans-60.2-45.2175.600000111.5L118 Q119 R124 V125 I126L118-A122 WeakPolarHBondContact O-CB 3.43Å; L118-A122 PolarHBondContact O-N 3.47Å; Q119-A122 PolarHBondContact O-N 2.8Å; A122-R124 VanDerWaalsContact C-N 3.32Å; A122-R124 PolarHBondContact O-N 3.41Å; A122-V125 PolarHBondContact O-N 3Å; A122-I126 VanDerWaalsContact O-CG1 3.25Å; A122-I126 WeakPolarHBondContact O-CG1 3.42Å; A122-I126 PolarHBondContact O-N 3.25Å
123L86.1Confident86.6Confident52 Ų5289 Ų8927%0.27246%0.458SS..Hα-helixtrans-58.8-43.2174.8-71.3173.3000111.8Q119 L120 Q121 V125 I126 K127 L133 L137Q119-L123 WeakPolarHBondContact O-CG 3.31Å; Q119-L123 PolarHBondContact O-N 3.34Å; L120-L123 HydrophobicContact CD2-CD1 4.45Å; L120-L123 PolarHBondContact O-N 3.45Å; Q121-L123 PolarHBondContact O-N 3.34Å; L123-V125 PolarHBondContact O-N 3.43Å; L123-I126 PolarHBondContact O-N 3.36Å; L123-K127 WeakPolarHBondContact O-CB 3.45Å; L123-K127 PolarHBondContact O-N 2.98Å; L123-L133 HydrophobicContact CB-CD2 4.23Å; L123-L133 HydrophobicContact CD2-CD2 3.88Å; L123-L133 WeakPolarHBondContact O-CD2 3.46Å; L123-L137 HydrophobicContact CD2-CB 4.06Å; L123-L137 HydrophobicContact CD2-CD1 3.81Å; L123-L137 HydrophobicContact CD2-CG 4.35Å
124R86.6Confident85.5Confident179 Ų17986.6 Ų86.668%0.67545%0.451SS*.Hα-helixtrans-59.6-47.9176-173.3-175.2-59.6171.33.7111.6L120 Q121 A122 I126 K127 E128L120-R124 PolarHBondContact O-N 3.31Å; Q121-R124 WeakPolarHBondContact O-CB 3.41Å; Q121-R124 PolarHBondContact O-N 3.12Å; A122-R124 VanDerWaalsContact C-N 3.32Å; A122-R124 PolarHBondContact O-N 3.41Å; R124-I126 VanDerWaalsContact C-N 3.34Å; R124-I126 PolarHBondContact O-N 3.21Å; R124-K127 WeakPolarHBondContact O-CB 3.35Å; R124-K127 PolarHBondContact O-N 3.34Å; R124-E128 WeakPolarHBondContact O-CB 3.29Å; R124-E128 PolarHBondContact O-N 2.94Å
125V90.3Very high83.9Confident67 Ų6793.4 Ų93.441%0.40648%0.484SS..Hα-helixtrans-62.2-41.9178.7172.20000111.1Q121 A122 L123 E128 K129Q121-V125 WeakPolarHBondContact O-CG2 3.47Å; Q121-V125 PolarHBondContact O-N 3.2Å; A122-V125 PolarHBondContact O-N 3Å; L123-V125 PolarHBondContact O-N 3.43Å; V125-E128 PolarHBondContact O-N 3.5Å; V125-K129 HydrophobicContact CG1-CD 3.86Å; V125-K129 HydrophobicContact CG1-CG 4.38Å; V125-K129 WeakPolarHBondContact O-CB 3.46Å; V125-K129 VanDerWaalsContact O-CG 3.28Å; V125-K129 WeakPolarHBondContact O-CG 3.43Å; V125-K129 PolarHBondContact O-N 3.34Å
126I85.8Confident82.5Confident56 Ų5697.7 Ų97.729%0.28751%0.514SS..Hα-helixtrans-61.3-46.8176.2-68.8166.1000110.4A122 L123 R124 E128 K129 N130 L133 P134A122-I126 VanDerWaalsContact O-CG1 3.25Å; A122-I126 WeakPolarHBondContact O-CG1 3.42Å; A122-I126 PolarHBondContact O-N 3.25Å; L123-I126 PolarHBondContact O-N 3.36Å; R124-I126 VanDerWaalsContact C-N 3.34Å; R124-I126 PolarHBondContact O-N 3.21Å; I126-E128 PolarHBondContact O-N 2.97Å; I126-K129 PolarHBondContact O-N 3.36Å; I126-N130 VanDerWaalsContact O-CB 3.26Å; I126-N130 WeakPolarHBondContact O-CB 3.24Å; I126-N130 PolarHBondContact O-N 2.85Å; I126-L133 HydrophobicContact CB-CD2 4.28Å; I126-L133 HydrophobicContact CG2-CD2 4.08Å; I126-P134 HydrophobicContact CG2-CG 4.18Å
127K84.8Confident81.3Confident121 Ų12196.5 Ų96.553%0.52651%0.51SS..Hα-helixtrans-60.4-44.5178.7-171.7177.3176.8176.40112.1L123 R124 G131 L133L123-K127 WeakPolarHBondContact O-CB 3.45Å; L123-K127 PolarHBondContact O-N 2.98Å; R124-K127 WeakPolarHBondContact O-CB 3.35Å; R124-K127 PolarHBondContact O-N 3.34Å; K127-G131 CarbonylContact O-C 3.6Å; K127-G131 WeakPolarHBondContact O-CA 3.46Å; K127-G131 PolarHBondContact O-N 3.39Å; K127-L133 HydrophobicContact CB-CD2 4.11Å; K127-L133 HydrophobicContact CB-CG 3.93Å; K127-L133 HydrophobicContact CD-CD1 4.48Å; K127-L133 HydrophobicContact CD-CG 4.4Å; K127-L133 HydrophobicContact CG-CG 4.24Å
128E88.1Confident79.9Confident159 Ų15995.7 Ų95.774%0.74351%0.511SS*.Hα-helixtrans-66.3-42.2-179.7-173.9177.1-173.500111.8R124 V125 I126R124-E128 WeakPolarHBondContact O-CB 3.29Å; R124-E128 PolarHBondContact O-N 2.94Å; V125-E128 PolarHBondContact O-N 3.5Å; I126-E128 PolarHBondContact O-N 2.97Å
129K83.8Confident78.3Confident167 Ų167101 Ų10173%0.72654%0.54SS*.Hα-helixtrans-71.2-34.5179.3-68.9179.180.681.90113.1V125 I126V125-K129 HydrophobicContact CG1-CD 3.86Å; V125-K129 HydrophobicContact CG1-CG 4.38Å; V125-K129 WeakPolarHBondContact O-CB 3.46Å; V125-K129 VanDerWaalsContact O-CG 3.28Å; V125-K129 WeakPolarHBondContact O-CG 3.43Å; V125-K129 PolarHBondContact O-N 3.34Å; I126-K129 PolarHBondContact O-N 3.36Å
130N80.2Confident76.5Confident107 Ų10798.7 Ų98.757%0.57255%0.546SS*.Hα-helixtrans-103.6-5.5-171.5-61-5.1000113.3I126 A132I126-N130 VanDerWaalsContact O-CB 3.26Å; I126-N130 WeakPolarHBondContact O-CB 3.24Å; I126-N130 PolarHBondContact O-N 2.85Å; N130-A132 WeakPolarHBondContact CB-O 3.28Å; N130-A132 PolarHBondContact O-N 3.46Å
131G77.4Confident74.8Confident68 Ų6898.9 Ų98.970%0.70155%0.551SS**SBendtrans74.8-24.9-174.900000114.4K127K127-G131 CarbonylContact O-C 3.6Å; K127-G131 WeakPolarHBondContact O-CA 3.46Å; K127-G131 PolarHBondContact O-N 3.39Å
132A76.8Confident73.2Confident61 Ų6197.9 Ų97.950%0.50455%0.55SS..SBendtrans-143.8154.9173.100000110.4N130N130-A132 WeakPolarHBondContact CB-O 3.28Å; N130-A132 PolarHBondContact O-N 3.46Å
133L68.5Low72Confident48 Ų48100.5 Ų100.525%0.25156%0.56SS.*  trans-71.7144.2168.6-79.7167.3000109.4L123 I126 K127L123-L133 HydrophobicContact CB-CD2 4.23Å; L123-L133 HydrophobicContact CD2-CD2 3.88Å; L123-L133 WeakPolarHBondContact O-CD2 3.46Å; I126-L133 HydrophobicContact CB-CD2 4.28Å; I126-L133 HydrophobicContact CG2-CD2 4.08Å; K127-L133 HydrophobicContact CB-CD2 4.11Å; K127-L133 HydrophobicContact CB-CG 3.93Å; K127-L133 HydrophobicContact CD-CD1 4.48Å; K127-L133 HydrophobicContact CD-CG 4.4Å; K127-L133 HydrophobicContact CG-CG 4.24Å
134P69Low70.4Confident48 Ų48102.8 Ų102.831%0.31257%0.571SS.*  trans-51.3143.3167.8-25.834.2000111.3I126 C136 L137 T138I126-P134 HydrophobicContact CG2-CG 4.18Å; P134-C136 PolarHBondContact O-N 2.87Å; P134-C136 VanDerWaalsContact O-N 3.15Å; P134-L137 HydrophobicContact CB-CD1 4.44Å; P134-L137 HydrophobicContact CB-CG 4.5Å; P134-L137 HydrophobicContact CG-CD1 4.15Å; P134-L137 CarbonylContact O-C 3.54Å; P134-L137 WeakPolarHBondContact O-CA 3.32Å; P134-L137 PolarHBondContact O-N 3.26Å; P134-T138 PolarHBondContact O-N 2.92Å; P134-T138 PolarHBondContact O-OG1 3.39Å
135E59.1Low69.8Low183 Ų18396.9 Ų96.986%0.85556%0.555SS**G310 helixtrans-58.9-29.3-177.6-165.6162.5-171.400112.5L137 T138E135-L137 VanDerWaalsContact C-N 3.25Å; E135-L137 PolarHBondContact O-N 3.46Å; E135-T138 PolarHBondContact O-N 3.46Å
136C61.5Low69.1Low114 Ų11498.4 Ų98.477%0.7756%0.557SS**G310 helixtrans-71.2-11.4173.260.60000115.4P134P134-C136 PolarHBondContact O-N 2.87Å; P134-C136 VanDerWaalsContact O-N 3.15Å
137L65.2Low68.5Low84 Ų8499.4 Ų99.444%0.4456%0.563SS.*G310 helixtrans-116.57.2179.1-59.8176.8000111.9L123 P134 E135L123-L137 HydrophobicContact CD2-CB 4.06Å; L123-L137 HydrophobicContact CD2-CD1 3.81Å; L123-L137 HydrophobicContact CD2-CG 4.35Å; P134-L137 HydrophobicContact CB-CD1 4.44Å; P134-L137 HydrophobicContact CB-CG 4.5Å; P134-L137 HydrophobicContact CG-CD1 4.15Å; P134-L137 CarbonylContact O-C 3.54Å; P134-L137 WeakPolarHBondContact O-CA 3.32Å; P134-L137 PolarHBondContact O-N 3.26Å; E135-L137 VanDerWaalsContact C-N 3.25Å; E135-L137 PolarHBondContact O-N 3.46Å
138T63.8Low68Low74 Ų7498.6 Ų98.645%0.45456%0.561SS.*SBendtrans-96.1147.3175-39.70000108P134 E135 G140P134-T138 PolarHBondContact O-N 2.92Å; P134-T138 PolarHBondContact O-OG1 3.39Å; E135-T138 PolarHBondContact O-N 3.46Å; T138-G140 PolarHBondContact O-N 2.83Å
139D58.8Low67.5Low164 Ų16497.2 Ų97.288%0.87755%0.554SS**SBendtrans-41.5112-176.4-141.47.9000109.8V141D139-V141 PolarHBondContact O-N 3.02Å
140G52.1Low67.4Low65 Ų6594.2 Ų94.267%0.6754%0.543SS*.  trans-53.8100.7-161.400000111.2T138 D142T138-G140 PolarHBondContact O-N 2.83Å; G140-D142 PolarHBondContact O-N 3.45Å
141V52.3Low67.4Low103 Ų10394.4 Ų94.462%0.62454%0.54SS*.  trans-60103.5150-170.80000102.4D139 V143D139-V141 PolarHBondContact O-N 3.02Å; V141-V143 VanDerWaalsContact O-CG2 3.32Å; V141-V143 WeakPolarHBondContact O-CG2 3.25Å; V141-V143 PolarHBondContact O-N 3.31Å
142D59.1Low67.8Low85 Ų8597.4 Ų97.446%0.45554%0.538SS..  trans-67.283.5-178.5-176.7-6.9000107.1G140 M144 T145 E146G140-D142 PolarHBondContact O-N 3.45Å; D142-M144 PolarHBondContact O-N 2.94Å; D142-M144 VanDerWaalsContact O-N 3.09Å; D142-M144 WeakPolarHBondContact OD1-CA 3.33Å; D142-M144 VanDerWaalsContact OD1-CB 3.27Å; D142-M144 WeakPolarHBondContact OD1-CB 3.44Å; D142-M144 PolarHBondContact OD1-N 3.36Å; D142-M144 VanDerWaalsContact OD1-N 3.16Å; D142-T145 VanDerWaalsContact CG-CB 3.41Å; D142-T145 PolarHBondContact O-N 3.07Å; D142-T145 PolarHBondContact OD1-N 2.96Å; D142-T145 WeakPolarHBondContact OD2-CB 3.32Å; D142-T145 PolarHBondContact OD2-OG1 3.13Å; D142-E146 PolarHBondContact O-N 3.35Å
143V61.7Low68.4Low105 Ų105101.6 Ų101.664%0.63655%0.545SS*.Hα-helixtrans-56-28.1-179.5-177.50000109.3V141 L147V141-V143 VanDerWaalsContact O-CG2 3.32Å; V141-V143 WeakPolarHBondContact O-CG2 3.25Å; V141-V143 PolarHBondContact O-N 3.31Å; V143-L147 WeakPolarHBondContact O-CB 3.39Å; V143-L147 PolarHBondContact O-N 2.92Å
144M53.2Low69.6Low101 Ų101104.6 Ų104.650%0.49856%0.56SS.*Hα-helixtrans-71.6-49.8176.8-160.765-111.400111.1D142 E146 L147 E148D142-M144 PolarHBondContact O-N 2.94Å; D142-M144 VanDerWaalsContact O-N 3.09Å; D142-M144 WeakPolarHBondContact OD1-CA 3.33Å; D142-M144 VanDerWaalsContact OD1-CB 3.27Å; D142-M144 WeakPolarHBondContact OD1-CB 3.44Å; D142-M144 PolarHBondContact OD1-N 3.36Å; D142-M144 VanDerWaalsContact OD1-N 3.16Å; M144-E146 PolarHBondContact O-N 3.24Å; M144-L147 HydrophobicContact CE-CD2 4.41Å; M144-L147 PolarHBondContact O-N 3.42Å; M144-E148 HydrophobicContact CE-CG 3.96Å; M144-E148 WeakPolarHBondContact O-CB 3.46Å; M144-E148 WeakPolarHBondContact O-CG 3.48Å; M144-E148 PolarHBondContact O-N 3.43Å
145T73.3Confident70.5Confident55 Ų55107.5 Ų107.534%0.33757%0.572SS.*Hα-helixtrans-65.3-37.2175.7-68.70000112.5D142 L147 E148 Q149D142-T145 VanDerWaalsContact CG-CB 3.41Å; D142-T145 PolarHBondContact O-N 3.07Å; D142-T145 PolarHBondContact OD1-N 2.96Å; D142-T145 WeakPolarHBondContact OD2-CB 3.32Å; D142-T145 PolarHBondContact OD2-OG1 3.13Å; T145-L147 VanDerWaalsContact C-N 3.35Å; T145-E148 PolarHBondContact O-N 3.49Å; T145-Q149 WeakPolarHBondContact O-CB 3.48Å; T145-Q149 WeakPolarHBondContact O-CG 3.39Å; T145-Q149 PolarHBondContact O-N 3.02Å
146E75.7Confident71.6Confident98 Ų98105.3 Ų105.346%0.45856%0.562SS.*Hα-helixtrans-65.6-40.1175.7-174.2164.2-15000111.3D142 M144 Q149 Q150D142-E146 PolarHBondContact O-N 3.35Å; M144-E146 PolarHBondContact O-N 3.24Å; E146-Q149 PolarHBondContact O-N 3.01Å; E146-Q150 WeakPolarHBondContact O-CG 3.5Å; E146-Q150 PolarHBondContact O-N 2.99Å
147L73.8Confident73Confident78 Ų78104.6 Ų104.641%0.40855%0.547SS..Hα-helixtrans-68.5-43.3176.1-168.164.6000111.8V143 M144 T145 Q149 Q150 E151V143-L147 WeakPolarHBondContact O-CB 3.39Å; V143-L147 PolarHBondContact O-N 2.92Å; M144-L147 HydrophobicContact CE-CD2 4.41Å; M144-L147 PolarHBondContact O-N 3.42Å; T145-L147 VanDerWaalsContact C-N 3.35Å; L147-Q149 VanDerWaalsContact C-N 3.33Å; L147-Q149 PolarHBondContact O-N 3.41Å; L147-Q150 PolarHBondContact O-N 3.38Å; L147-Q150 VanDerWaalsContact O-N 3.16Å; L147-E151 WeakPolarHBondContact O-CG 3.4Å; L147-E151 PolarHBondContact O-N 3.03Å
148E74.1Confident74.3Confident104 Ų104104.8 Ų104.849%0.48655%0.551SS.*Hα-helixtrans-60.9-39.6175-76.2179.2171.900112.2M144 T145 E151 M152M144-E148 HydrophobicContact CE-CG 3.96Å; M144-E148 WeakPolarHBondContact O-CB 3.46Å; M144-E148 WeakPolarHBondContact O-CG 3.48Å; M144-E148 PolarHBondContact O-N 3.43Å; T145-E148 PolarHBondContact O-N 3.49Å; E148-E151 PolarHBondContact O-N 2.94Å; E148-M152 WeakPolarHBondContact O-CB 3.44Å; E148-M152 PolarHBondContact O-N 3.47Å
149Q78.2Confident75.4Confident129 Ų129106.8 Ų106.860%0.60356%0.559SS**Hα-helixtrans-65.1-40.1174.2-80.9-179.78.800112.3T145 E146 L147 M152 K153T145-Q149 WeakPolarHBondContact O-CB 3.48Å; T145-Q149 WeakPolarHBondContact O-CG 3.39Å; T145-Q149 PolarHBondContact O-N 3.02Å; E146-Q149 PolarHBondContact O-N 3.01Å; L147-Q149 VanDerWaalsContact C-N 3.33Å; L147-Q149 PolarHBondContact O-N 3.41Å; Q149-M152 PolarHBondContact O-N 2.9Å; Q149-K153 WeakPolarHBondContact O-CB 3.34Å; Q149-K153 PolarHBondContact O-N 2.96Å
150Q82.1Confident77Confident104 Ų104105 Ų10549%0.48654%0.543SS..Hα-helixtrans-64.4-43.3175.5-73.4177.615.300111.4E146 L147 K153 I154E146-Q150 WeakPolarHBondContact O-CG 3.5Å; E146-Q150 PolarHBondContact O-N 2.99Å; L147-Q150 PolarHBondContact O-N 3.38Å; L147-Q150 VanDerWaalsContact O-N 3.16Å; Q150-K153 PolarHBondContact O-N 3.4Å; Q150-I154 WeakPolarHBondContact O-CG1 3.33Å; Q150-I154 PolarHBondContact O-N 3Å
151E80.3Confident78.7Confident112 Ų112107.4 Ų107.452%0.52354%0.535SS..Hα-helixtrans-62.6-43.7176.4-72.4-178.8174.300112.1L147 E148 K153 I154 L155L147-E151 WeakPolarHBondContact O-CG 3.4Å; L147-E151 PolarHBondContact O-N 3.03Å; E148-E151 PolarHBondContact O-N 2.94Å; E151-K153 VanDerWaalsContact C-N 3.3Å; E151-K153 PolarHBondContact O-N 3.26Å; E151-I154 PolarHBondContact O-N 3.34Å; E151-L155 WeakPolarHBondContact O-CB 3.26Å; E151-L155 PolarHBondContact O-N 3.42Å
152M84.6Confident80.3Confident131 Ų131106 Ų10665%0.64553%0.53SS*.Hα-helixtrans-61.2-40.1176.5-171.3-178.9-59.400111.8E148 Q149 L155 E156E148-M152 WeakPolarHBondContact O-CB 3.44Å; E148-M152 PolarHBondContact O-N 3.47Å; Q149-M152 PolarHBondContact O-N 2.9Å; M152-L155 PolarHBondContact O-N 3.41Å; M152-E156 WeakPolarHBondContact O-CB 3.49Å; M152-E156 PolarHBondContact O-N 2.93Å
153K91.1Very high81.7Confident149 Ų149108.6 Ų108.665%0.64854%0.537SS*.Hα-helixtrans-66.1-40.5177.9-169.8177.4-177.21800112.2Q149 Q150 E151 E156 E157Q149-K153 WeakPolarHBondContact O-CB 3.34Å; Q149-K153 PolarHBondContact O-N 2.96Å; Q150-K153 PolarHBondContact O-N 3.4Å; E151-K153 VanDerWaalsContact C-N 3.3Å; E151-K153 PolarHBondContact O-N 3.26Å; K153-E156 PolarHBondContact O-N 2.92Å; K153-E157 WeakPolarHBondContact O-CB 3.41Å; K153-E157 PolarHBondContact O-N 3.47Å
154I92.7Very high83.1Confident110 Ų110107.9 Ų107.956%0.56453%0.527SS*.Hα-helixtrans-63-45.3174.1-66.2164.2000109.8Q150 E151 E156 E157 V158Q150-I154 WeakPolarHBondContact O-CG1 3.33Å; Q150-I154 PolarHBondContact O-N 3Å; E151-I154 PolarHBondContact O-N 3.34Å; I154-E156 PolarHBondContact O-N 2.9Å; I154-E157 PolarHBondContact O-N 3.5Å; I154-V158 HydrophobicContact CG2-CG2 4.45Å; I154-V158 VanDerWaalsContact O-CG2 3.31Å; I154-V158 WeakPolarHBondContact O-CG2 3.34Å; I154-V158 PolarHBondContact O-N 3.24Å
155L88.4Confident84.5Confident109 Ų109109.6 Ų109.657%0.57153%0.534SS*.Hα-helixtrans-62-42.5179.4-176.261.2000112.3E151 M152 V158 L159E151-L155 WeakPolarHBondContact O-CB 3.26Å; E151-L155 PolarHBondContact O-N 3.42Å; M152-L155 PolarHBondContact O-N 3.41Å; L155-V158 PolarHBondContact O-N 2.97Å; L155-L159 HydrophobicContact CG-CD1 4.2Å; L155-L159 WeakPolarHBondContact O-CB 3.25Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 3.46Å
156E81.3Confident85.1Confident138 Ų138114.6 Ų114.665%0.64555%0.547SS*.Hα-helixtrans-62.8-43175.6-172.3-179.1-173.800111.6M152 K153 I154 V158 L159 K160M152-E156 WeakPolarHBondContact O-CB 3.49Å; M152-E156 PolarHBondContact O-N 2.93Å; K153-E156 PolarHBondContact O-N 2.92Å; I154-E156 PolarHBondContact O-N 2.9Å; E156-V158 VanDerWaalsContact C-N 3.35Å; E156-V158 PolarHBondContact O-N 2.91Å; E156-L159 PolarHBondContact O-N 3.48Å; E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.31Å; E156-K160 PolarHBondContact O-N 3.35Å
157E91Very high85.6Confident98 Ų98113.8 Ų113.846%0.45855%0.546SS..Hα-helixtrans-64.9-39.3178.3-164.7-179150.600111.9K153 I154 K160 K161K153-E157 WeakPolarHBondContact O-CB 3.41Å; K153-E157 PolarHBondContact O-N 3.47Å; I154-E157 PolarHBondContact O-N 3.5Å; E157-K160 PolarHBondContact O-N 3.14Å; E157-K161 HydrophobicContact CG-CD 4.44Å; E157-K161 WeakPolarHBondContact O-CB 3.45Å; E157-K161 PolarHBondContact O-N 3.45Å; E157-K161 IonicContact OE1-NZ 3.69Å; E157-K161 PolarHBondContact OE1-NZ 2.92Å
158V93.6Very high86.3Confident88 Ų88115.8 Ų115.853%0.53355%0.554SS.*Hα-helixtrans-64.9-46.2175.21710000111.1I154 L155 E156 K160 K161 S162I154-V158 HydrophobicContact CG2-CG2 4.45Å; I154-V158 VanDerWaalsContact O-CG2 3.31Å; I154-V158 WeakPolarHBondContact O-CG2 3.34Å; I154-V158 PolarHBondContact O-N 3.24Å; L155-V158 PolarHBondContact O-N 2.97Å; E156-V158 VanDerWaalsContact C-N 3.35Å; E156-V158 PolarHBondContact O-N 2.91Å; V158-K160 VanDerWaalsContact C-N 3.31Å; V158-K160 PolarHBondContact O-N 2.7Å; V158-K161 PolarHBondContact O-N 3.27Å; V158-S162 WeakPolarHBondContact O-CB 3.28Å; V158-S162 PolarHBondContact O-N 2.97Å
159L86.3Confident86.7Confident116 Ų116114.4 Ų114.461%0.60755%0.547SS*.Hα-helixtrans-60.8-41.5176.5-80.8163.6000111.8L155 E156 K163L155-L159 HydrophobicContact CG-CD1 4.2Å; L155-L159 WeakPolarHBondContact O-CB 3.25Å; L155-L159 WeakPolarHBondContact O-CG 3.35Å; L155-L159 PolarHBondContact O-N 3.46Å; E156-L159 PolarHBondContact O-N 3.48Å; L159-K163 WeakPolarHBondContact O-CB 3.5Å; L159-K163 PolarHBondContact O-N 3.33Å; L159-K163 VanDerWaalsContact O-N 3.07Å
160K92.3Very high86.5Confident126 Ų126111.9 Ų111.955%0.54854%0.536SS..Hα-helixtrans-64.4-49.3177.1-177.8179.4173.1-176.10111.7E156 E157 V158 S162 K163 E164E156-K160 VanDerWaalsContact O-CB 3.3Å; E156-K160 WeakPolarHBondContact O-CB 3.31Å; E156-K160 PolarHBondContact O-N 3.35Å; E157-K160 PolarHBondContact O-N 3.14Å; V158-K160 VanDerWaalsContact C-N 3.31Å; V158-K160 PolarHBondContact O-N 2.7Å; K160-S162 PolarHBondContact O-N 2.87Å; K160-K163 WeakPolarHBondContact O-CB 3.42Å; K160-K163 PolarHBondContact O-N 2.92Å; K160-E164 WeakPolarHBondContact CE-OE1 3.35Å; K160-E164 WeakPolarHBondContact CG-OE1 3.42Å; K160-E164 WeakPolarHBondContact O-CG 3.44Å; K160-E164 PolarHBondContact O-N 2.91Å
161K87.6Confident86.8Confident117 Ų117110.5 Ų110.551%0.50954%0.538SS..Hα-helixtrans-60.7-43.2177.7-83.6173170.1158.80112.1E157 V158 K163 E164 E165E157-K161 HydrophobicContact CG-CD 4.44Å; E157-K161 WeakPolarHBondContact O-CB 3.45Å; E157-K161 PolarHBondContact O-N 3.45Å; E157-K161 IonicContact OE1-NZ 3.69Å; E157-K161 PolarHBondContact OE1-NZ 2.92Å; V158-K161 PolarHBondContact O-N 3.27Å; K161-K163 VanDerWaalsContact C-N 3.31Å; K161-K163 PolarHBondContact O-N 3.39Å; K161-E164 PolarHBondContact O-N 2.96Å; K161-E165 VanDerWaalsContact O-CB 3.31Å; K161-E165 WeakPolarHBondContact O-CB 3.35Å; K161-E165 PolarHBondContact O-N 3.36Å
162S85.4Confident86.9Confident72 Ų72112.9 Ų112.950%0.50354%0.542SS..Hα-helixtrans-62.7-38.5177.5178.60000112.2V158 K160 Y166V158-S162 WeakPolarHBondContact O-CB 3.28Å; V158-S162 PolarHBondContact O-N 2.97Å; K160-S162 PolarHBondContact O-N 2.87Å; S162-Y166 WeakPolarHBondContact O-CB 3.22Å; S162-Y166 PolarHBondContact O-N 3.34Å
163K89.1Confident86.6Confident140 Ų140114.1 Ų114.161%0.60954%0.54SS*.Hα-helixtrans-65.6-48174.5-178.7-175173.7-171.50111.9L159 K160 K161 E165 Y166 D167L159-K163 WeakPolarHBondContact O-CB 3.5Å; L159-K163 PolarHBondContact O-N 3.33Å; L159-K163 VanDerWaalsContact O-N 3.07Å; K160-K163 WeakPolarHBondContact O-CB 3.42Å; K160-K163 PolarHBondContact O-N 2.92Å; K161-K163 VanDerWaalsContact C-N 3.31Å; K161-K163 PolarHBondContact O-N 3.39Å; K163-E165 VanDerWaalsContact C-N 3.35Å; K163-E165 PolarHBondContact O-N 3.33Å; K163-Y166 PolarHBondContact O-N 3.46Å; K163-D167 PolarHBondContact O-N 3.2Å
164E90.1Very high85.9Confident90 Ų90112.2 Ų112.242%0.42154%0.536SS..Hα-helixtrans-61-44.7179.3-72.6170.4178.900111.1K160 K161 Y166 D167 E168K160-E164 WeakPolarHBondContact CE-OE1 3.35Å; K160-E164 WeakPolarHBondContact CG-OE1 3.42Å; K160-E164 WeakPolarHBondContact O-CG 3.44Å; K160-E164 PolarHBondContact O-N 2.91Å; K161-E164 PolarHBondContact O-N 2.96Å; E164-Y166 VanDerWaalsContact C-N 3.33Å; E164-Y166 PolarHBondContact O-N 3.41Å; E164-D167 PolarHBondContact O-N 3.42Å; E164-E168 WeakPolarHBondContact O-CB 3.45Å; E164-E168 VanDerWaalsContact O-CG 3.31Å; E164-E168 WeakPolarHBondContact O-CG 3.49Å; E164-E168 PolarHBondContact O-N 2.94Å
165E83.7Confident84.9Confident138 Ų138113.2 Ų113.265%0.64554%0.542SS*.Hα-helixtrans-61.9-40.3176.8-173175.3-167.800112.1K161 K163 E169K161-E165 VanDerWaalsContact O-CB 3.31Å; K161-E165 WeakPolarHBondContact O-CB 3.35Å; K161-E165 PolarHBondContact O-N 3.36Å; K163-E165 VanDerWaalsContact C-N 3.35Å; K163-E165 PolarHBondContact O-N 3.33Å; E165-E169 VanDerWaalsContact O-CB 3.25Å; E165-E169 WeakPolarHBondContact O-CB 3.43Å; E165-E169 PolarHBondContact O-N 2.91Å
166Y85.9Confident83.5Confident159 Ų159111.6 Ų111.662%0.62454%0.539SS*.Hα-helixtrans-65.2-45.1175.6-178.2-92.7000112.3S162 K163 E164 E168 E169 M170S162-Y166 WeakPolarHBondContact O-CB 3.22Å; S162-Y166 PolarHBondContact O-N 3.34Å; K163-Y166 PolarHBondContact O-N 3.46Å; E164-Y166 VanDerWaalsContact C-N 3.33Å; E164-Y166 PolarHBondContact O-N 3.41Å; Y166-E168 VanDerWaalsContact C-N 3.33Å; Y166-E168 PolarHBondContact O-N 2.97Å; Y166-E169 PolarHBondContact O-N 3.41Å; Y166-M170 VanDerWaalsContact O-CB 3.28Å; Y166-M170 WeakPolarHBondContact O-CB 3.4Å; Y166-M170 PolarHBondContact O-N 2.91Å
167D86.4Confident82.6Confident81 Ų81111.6 Ų111.643%0.43354%0.539SS..Hα-helixtrans-65-38.3179.4-72.3-16.9000111.2K163 E164 S171K163-D167 PolarHBondContact O-N 3.2Å; E164-D167 PolarHBondContact O-N 3.42Å; D167-S171 WeakPolarHBondContact O-CB 3.34Å; D167-S171 PolarHBondContact O-N 2.9Å; D167-S171 PolarHBondContact O-OG 2.71Å
168E89.1Confident81.2Confident121 Ų121115 Ų11557%0.56555%0.553SS**Hα-helixtrans-67.6-45174.5-75.4-177.7-174.400112.5E164 Y166 M170 S171 R172E164-E168 WeakPolarHBondContact O-CB 3.45Å; E164-E168 VanDerWaalsContact O-CG 3.31Å; E164-E168 WeakPolarHBondContact O-CG 3.49Å; E164-E168 PolarHBondContact O-N 2.94Å; Y166-E168 VanDerWaalsContact C-N 3.33Å; Y166-E168 PolarHBondContact O-N 2.97Å; E168-M170 VanDerWaalsContact C-N 3.32Å; E168-M170 PolarHBondContact O-N 3.47Å; E168-S171 WeakPolarHBondContact O-CB 3.3Å; E168-S171 PolarHBondContact O-N 3.47Å; E168-R172 WeakPolarHBondContact O-CB 3.31Å; E168-R172 PolarHBondContact O-N 3.4Å
169E81.8Confident79.5Confident74 Ų74119.1 Ų119.135%0.34656%0.563SS.*Hα-helixtrans-64-40177.1179.555.9-154.300111E165 Y166 R172 R173E165-E169 VanDerWaalsContact O-CB 3.25Å; E165-E169 WeakPolarHBondContact O-CB 3.43Å; E165-E169 PolarHBondContact O-N 2.91Å; Y166-E169 PolarHBondContact O-N 3.41Å; E169-R172 WeakPolarHBondContact O-CB 3.49Å; E169-R172 PolarHBondContact O-N 3.2Å; E169-R172 IonicContact OE2-NE 2.88Å; E169-R173 WeakPolarHBondContact O-CG 3.36Å; E169-R173 PolarHBondContact O-N 2.91Å; E169-R173 IonicContact OE1-NE 2.72Å; E169-R173 PolarHBondContact OE1-NE 2.79Å; E169-R173 IonicContact OE1-NH2 3.9Å
170M73.9Confident77.6Confident77 Ų77118.3 Ų118.338%0.37956%0.563SS.*Hα-helixtrans-65.3-41.7174.1-168.953.9-103.400111.4Y166 E168 R172 R173 L174Y166-M170 VanDerWaalsContact O-CB 3.28Å; Y166-M170 WeakPolarHBondContact O-CB 3.4Å; Y166-M170 PolarHBondContact O-N 2.91Å; E168-M170 VanDerWaalsContact C-N 3.32Å; E168-M170 PolarHBondContact O-N 3.47Å; M170-R172 VanDerWaalsContact C-N 3.31Å; M170-R172 PolarHBondContact O-N 3.24Å; M170-R173 HydrophobicContact CE-CB 3.94Å; M170-R173 PolarHBondContact O-N 2.99Å; M170-L174 HydrophobicContact CE-CB 4.37Å; M170-L174 PolarHBondContact O-N 2.78Å
171S87.6Confident75.5Confident74 Ų74115.2 Ų115.252%0.51757%0.567SS.*Hα-helixtrans-61.9-39.4174.4-61.90000112D167 E168 L174 L175D167-S171 WeakPolarHBondContact O-CB 3.34Å; D167-S171 PolarHBondContact O-N 2.9Å; D167-S171 PolarHBondContact O-OG 2.71Å; E168-S171 WeakPolarHBondContact O-CB 3.3Å; E168-S171 PolarHBondContact O-N 3.47Å; S171-L174 PolarHBondContact O-N 2.92Å; S171-L175 WeakPolarHBondContact O-CB 3.3Å; S171-L175 PolarHBondContact O-N 3.15Å
172R82.6Confident73.6Confident162 Ų162118.6 Ų118.661%0.61158%0.582SS**Hα-helixtrans-64.7-44.1177.4-170-175.8-56-148.32.9111.9E168 E169 M170 L175 S176E168-R172 WeakPolarHBondContact O-CB 3.31Å; E168-R172 PolarHBondContact O-N 3.4Å; E169-R172 WeakPolarHBondContact O-CB 3.49Å; E169-R172 PolarHBondContact O-N 3.2Å; E169-R172 IonicContact OE2-NE 2.88Å; M170-R172 VanDerWaalsContact C-N 3.31Å; M170-R172 PolarHBondContact O-N 3.24Å; R172-L175 PolarHBondContact O-N 2.92Å; R172-S176 WeakPolarHBondContact O-CB 3.4Å; R172-S176 PolarHBondContact O-N 3.3Å
173R79.3Confident71.4Confident158 Ų158121.2 Ų121.260%0.59660%0.595SS**Hα-helixtrans-61.4-45.8175-76.8-179.3-170.5-171.81.3111.9E169 M170 L175 S176 E177E169-R173 WeakPolarHBondContact O-CG 3.36Å; E169-R173 PolarHBondContact O-N 2.91Å; E169-R173 IonicContact OE1-NE 2.72Å; E169-R173 PolarHBondContact OE1-NE 2.79Å; E169-R173 IonicContact OE1-NH2 3.9Å; M170-R173 HydrophobicContact CE-CB 3.94Å; M170-R173 PolarHBondContact O-N 2.99Å; R173-L175 VanDerWaalsContact C-N 3.34Å; R173-L175 PolarHBondContact O-N 3.5Å; R173-S176 WeakPolarHBondContact O-CB 3.49Å; R173-S176 PolarHBondContact O-N 3.46Å; R173-E177 WeakPolarHBondContact O-CB 3.39Å; R173-E177 PolarHBondContact O-N 3.3Å
174L75.9Confident69.2Low108 Ų108119.9 Ų119.957%0.56560%0.603SS**Hα-helixtrans-62.1-40.9178.1-161.494.4000112.1M170 S171 K178M170-L174 HydrophobicContact CE-CB 4.37Å; M170-L174 PolarHBondContact O-N 2.78Å; S171-L174 PolarHBondContact O-N 2.92Å; L174-K178 WeakPolarHBondContact O-CB 3.5Å; L174-K178 PolarHBondContact O-N 3.07Å; L174-K178 VanDerWaalsContact O-N 3.07Å
175L70.7Confident67.1Low132 Ų132127.6 Ų127.669%0.69163%0.629SS**Hα-helixtrans-66.5-38.8176.8-133.293.7000111.8S171 R172 R173 K179S171-L175 WeakPolarHBondContact O-CB 3.3Å; S171-L175 PolarHBondContact O-N 3.15Å; R172-L175 PolarHBondContact O-N 2.92Å; R173-L175 VanDerWaalsContact C-N 3.34Å; R173-L175 PolarHBondContact O-N 3.5Å; L175-K179 WeakPolarHBondContact O-CB 3.45Å; L175-K179 PolarHBondContact O-N 3.29Å; L175-K179 VanDerWaalsContact O-N 3.16Å
176S59.9Low65.1Low74 Ų74132.1 Ų132.152%0.51764%0.64SS.*Hα-helixtrans-64.6-47.3176.6-172.50000111.2R172 R173 K178 K179 T180R172-S176 WeakPolarHBondContact O-CB 3.4Å; R172-S176 PolarHBondContact O-N 3.3Å; R173-S176 WeakPolarHBondContact O-CB 3.49Å; R173-S176 PolarHBondContact O-N 3.46Å; S176-K178 VanDerWaalsContact C-N 3.33Å; S176-K178 PolarHBondContact O-N 3.39Å; S176-K179 WeakPolarHBondContact O-CA 3.23Å; S176-K179 WeakPolarHBondContact O-CB 3.47Å; S176-K179 PolarHBondContact O-N 2.85Å; S176-T180 PolarHBondContact O-N 2.83Å; S176-T180 PolarHBondContact O-OG1 2.91Å
177E62.3Low62.7Low139 Ų139130.3 Ų130.365%0.6565%0.65SS**Hα-helixtrans-61.5-39.3177.9-169.4174.2-163.500112.3R173 K179 T180 G181R173-E177 WeakPolarHBondContact O-CB 3.39Å; R173-E177 PolarHBondContact O-N 3.3Å; E177-K179 VanDerWaalsContact C-N 3.25Å; E177-K179 PolarHBondContact O-N 3.15Å; E177-T180 WeakPolarHBondContact CA-OG1 3.25Å; E177-T180 PolarHBondContact O-N 3.5Å; E177-T180 PolarHBondContact O-OG1 3.35Å; E177-G181 PolarHBondContact O-N 2.97Å; E177-G181 VanDerWaalsContact O-N 3.11Å
178K60.9Low60.4Low170 Ų170131.2 Ų131.274%0.73966%0.663SS**Hα-helixtrans-65.8-26.9173.3-168.3170.9-176.9171.90113.1L174 S176L174-K178 WeakPolarHBondContact O-CB 3.5Å; L174-K178 PolarHBondContact O-N 3.07Å; L174-K178 VanDerWaalsContact O-N 3.07Å; S176-K178 VanDerWaalsContact C-N 3.33Å; S176-K178 PolarHBondContact O-N 3.39Å
179K57.6Low57.6Low174 Ų174132.7 Ų132.776%0.75768%0.675SS**Hα-helixtrans-85.1-34.5179.8-164.1161.8-176.7175.60112.6L175 S176 E177 G181L175-K179 WeakPolarHBondContact O-CB 3.45Å; L175-K179 PolarHBondContact O-N 3.29Å; L175-K179 VanDerWaalsContact O-N 3.16Å; S176-K179 WeakPolarHBondContact O-CA 3.23Å; S176-K179 WeakPolarHBondContact O-CB 3.47Å; S176-K179 PolarHBondContact O-N 2.85Å; E177-K179 VanDerWaalsContact C-N 3.25Å; E177-K179 PolarHBondContact O-N 3.15Å; K179-G181 VanDerWaalsContact C-N 3.33Å
180T48.4Very low55.8Low99 Ų99138.6 Ų138.661%0.60770%0.699SS**Hα-helixtrans-73.2-21.6170.626.20000113.3S176 E177 F182S176-T180 PolarHBondContact O-N 2.83Å; S176-T180 PolarHBondContact O-OG1 2.91Å; E177-T180 WeakPolarHBondContact CA-OG1 3.25Å; E177-T180 PolarHBondContact O-N 3.5Å; E177-T180 PolarHBondContact O-OG1 3.35Å; T180-F182 PolarHBondContact O-N 3.33Å
181G47.9Very low54.2Low60 Ų60140.9 Ų140.962%0.61972%0.72SS**THydrogen-bonded Turntrans-68.9-6.9172.800000115.9E177 K179E177-G181 PolarHBondContact O-N 2.97Å; E177-G181 VanDerWaalsContact O-N 3.11Å; K179-G181 VanDerWaalsContact C-N 3.33Å
182F46.8Very low51.8Low189 Ų189144.5 Ų144.583%0.82973%0.734SS**THydrogen-bonded Turntrans-95.2-3.7-176.3-118.3-91.7000115.2T180T180-F182 PolarHBondContact O-N 3.33Å
183T39.3Very low49.5Very low126 Ų126143.8 Ų143.877%0.77375%0.747SS**SBendtrans-115.449.1174.560.50000112.1
184S43.8Very low47.7Very low112 Ų112145.5 Ų145.578%0.78376%0.762SS**  trans-159.491.3154.9-165.30000110.4
185R45.6Very low46.2Very low253 Ų253143.7 Ų143.796%0.95577%0.77SS**  trans-120.7103.4160.8-168.2174.5-173.7-162.51.4107.1
186R41.1Very low45.1Very low233 Ų233143.7 Ų143.788%0.87977%0.77SS**  trans150.1105.8131.6-172176.4-165.6-150.82.2113.5
187S35Very low44.4Very low121 Ų121149.6 Ų149.685%0.84679%0.79SS**  174.6145.7119.250.70000111.6
188S39.5Very low43.6Very low100 Ų100146.8 Ų146.870%0.69979%0.79SS**  trans-59.5140.5-174.7-173.50000114.4
189D30.3Very low42.9Very low152 Ų152147.6 Ų147.681%0.81379%0.788SS**  179.4139.6110.7-85.7-20.4000112.2
190K43.9Very low42.3Very low197 Ų197147.6 Ų147.686%0.85779%0.791SS**  trans-77.8146.4169.5-71.1-176.1174-177.20109
191P40.3Very low42.2Very low126 Ų126147 Ų14782%0.81880%0.796SS**  -143.5168.787.331.8-11.8000115.2
192N36.5Very low41.8Very low150 Ų150147.4 Ų147.480%0.80279%0.787SS**  trans-48.8142.4-176.1-58.7-29.9000115.9
193T34.4Very low41.9Very low146 Ų146143.9 Ų143.990%0.89678%0.776SS**  -159.8123.7126.5-120000109.9
194E41.6Very low42.4Very low195 Ų195142.9 Ų142.991%0.91177%0.77SS**  trans-75.6149.7172.4-62.2174.3132.600110.4
195G45Very low42.6Very low70 Ų70141.1 Ų141.172%0.72276%0.758SS**  trans129.9120.6149.500000116.8
196D47Very low42.5Very low131 Ų131135.9 Ų135.970%0.70174%0.741SS**  trans95.237.4146-65.9-25.9000122.5R199D196-R199 IonicContact OD1-NH1 3.39Å; D196-R199 PolarHBondContact OD1-NH1 2.89Å
197E45.3Very low42.9Very low199 Ų199130.1 Ų130.193%0.9373%0.727SS**SBendtrans-132.124.8166.9-142.8171.3-166.700115.1
198A44.5Very low43.4Very low79 Ų79131.5 Ų131.565%0.65372%0.722SS**SBendtrans-1246.917800000114.4T202A198-T202 PolarHBondContact O-OG1 2.97Å
199R47.9Very low43.6Very low187 Ų187131.4 Ų131.471%0.70672%0.717SS**SBendtrans-100.8-20.2-173.2-72.1-179.3172.5160.5-5.2115D196D196-R199 IonicContact OD1-NH1 3.39Å; D196-R199 PolarHBondContact OD1-NH1 2.89Å
200E44.1Very low44.1Very low175 Ų175134.6 Ų134.682%0.81872%0.718SS**SBendtrans-84.2-34.8-175.8-132.9-176178.900113.5T202E200-T202 PolarHBondContact O-N 3.36Å
201A46.2Very low44.1Very low85 Ų85132.4 Ų132.470%0.70272%0.715SS**Hα-helixtrans-71.4-14.917700000114.2
202T40.7Very low44.2Very low70 Ų70133.6 Ų133.643%0.42971%0.714SS.*Hα-helixtrans-95.9-15.3-175.6-440000113.2A198 E200A198-T202 PolarHBondContact O-OG1 2.97Å; E200-T202 PolarHBondContact O-N 3.36Å
203L47.9Very low44.4Very low115 Ų115135.8 Ų135.860%0.60272%0.716SS**Hα-helixtrans-87-37.8-177.5-103.9149.5000112.7K206 I207L203-K206 PolarHBondContact O-N 3.48Å; L203-I207 WeakPolarHBondContact O-CG1 3.43Å; L203-I207 PolarHBondContact O-N 3.05Å
204T48.8Very low44.6Very low104 Ų104138.6 Ų138.664%0.63872%0.716SS**Hα-helixtrans-72.7-3317931.50000113.2K206T204-K206 VanDerWaalsContact C-N 3.35Å; T204-K206 PolarHBondContact O-N 2.93Å
205S48.3Very low44.2Very low76 Ų76138 Ų13853%0.53171%0.714SS.*Hα-helixtrans-68.3-30.2173.8-175.80000113.2T209S205-T209 PolarHBondContact O-OG1 3.49Å
206K44.4Very low43.6Very low142 Ų142142.9 Ų142.962%0.61772%0.723SS**Hα-helixtrans-81-21.4-179.9-75.4177.7-179.4173.20114.3L203 T204L203-K206 PolarHBondContact O-N 3.48Å; T204-K206 VanDerWaalsContact C-N 3.35Å; T204-K206 PolarHBondContact O-N 2.93Å
207I48.6Very low42.6Very low112 Ų112140.2 Ų140.257%0.57473%0.727SS**Hα-helixtrans-81.8-38178-65.6170.2000110.8L203 T209L203-I207 WeakPolarHBondContact O-CG1 3.43Å; L203-I207 PolarHBondContact O-N 3.05Å; I207-T209 PolarHBondContact O-N 3.21Å
208M46.3Very low41.8Very low150 Ų150136 Ų13674%0.73972%0.719SS**Hα-helixtrans-72.1-29178.8-163.9174-88.100112.7
209T44.6Very low41.1Very low99 Ų99139.9 Ų139.961%0.60773%0.728SS**THydrogen-bonded Turntrans-82-15.6179.9-42.20000113.7S205 I207S205-T209 PolarHBondContact O-OG1 3.49Å; I207-T209 PolarHBondContact O-N 3.21Å
210R40.8Very low40Very low218 Ų218137.6 Ų137.682%0.82373%0.73SS**THydrogen-bonded Turntrans-86.2-12.9177.6-94.4-177-176.9170.81.7115
211L43.7Very low39.1Very low152 Ų152134.4 Ų134.480%0.79673%0.725SS**SBendtrans-90.9-9.3178.1-82.3162.9000113.9
212L42.4Very low38.1Very low151 Ų151137.4 Ų137.479%0.79174%0.735SS**SBendtrans-111.78.2-178-71.7172.9000115
213F40.7Very low37.4Very low195 Ų195142.8 Ų142.886%0.85576%0.756SS**  trans-14069-179-125.2-93.8000112.6
214K37.4Very low36.2Very low205 Ų205147.1 Ų147.189%0.89177%0.77SS**  trans-148.767.2162-157.2164.7-175.8179.60113
215Q33.8Very low35.1Very low184 Ų184151.3 Ų151.386%0.8677%0.774SS**SBendtrans-169.699137.4-122.1-179.5-3.900109.5
216N31.8Very low34Very low171 Ų171153.8 Ų153.891%0.91479%0.786SS**  trans174.7132.2137.5-90.7-3000112.1
217G27.2Very low32.9Very low76 Ų76153 Ų15378%0.78478%0.784SS**  trans125.797.9177.200000110.3
218S28.5Very low31.9Very low110 Ų110157.6 Ų157.677%0.76980%0.8SS**  cis79.5135.446-160.80000115.2
219L28.9Very low31.3Very low161 Ų161155.7 Ų155.784%0.84380%0.799SS**  trans89.7138170.5-59.7152.5000117.1
220D25.3Very low30.7Very low139 Ų139156.5 Ų156.574%0.74381%0.806SS**  cis-168.6170-11.5-171.320.6000108.4
221C25.1Very low29.9Very low107 Ų107150.1 Ų150.172%0.72380%0.8SS**  trans-51.9156.9-167.1-62.70000121.2
222T25.1Very low29.1Very low148 Ų148154 Ų15491%0.90880%0.804SS**  trans-143.4147.3130.935.70000111.9
223E25.5Very low28.3Very low184 Ų184153.7 Ų153.786%0.8680%0.804SS**  trans-73.2152.5-160.2-62.5165.3119.400117.4
224F22.2Very low27.9Very low205 Ų205151.2 Ų151.290%0.89980%0.799SS**  -156.7127.4120.4-142.4-99.3000111.2
225R26.1Very low27.5Very low192 Ų192150.9 Ų150.973%0.72580%0.798SS**  trans-95.5134.8-178.5171-175176-155.1-4.1110.1E227R225-E227 IonicContact CZ-OE1 3.28Å; R225-E227 IonicContact NH2-OE1 2.62Å; R225-E227 PolarHBondContact NH2-OE1 3Å
226V25Very low27.1Very low129 Ų129146.3 Ų146.378%0.78279%0.791SS**  trans-150.7141.6135.4-167.60000109.9
227E22.8Very low27Very low126 Ų126142.7 Ų142.759%0.58979%0.785SS**  trans-62.9151.8-168-71.1153165.800118.1R225R225-E227 IonicContact CZ-OE1 3.28Å; R225-E227 IonicContact NH2-OE1 2.62Å; R225-E227 PolarHBondContact NH2-OE1 3Å
228F27.2Very low27.1Very low207 Ų207144.4 Ų144.491%0.90879%0.785SS**  trans-149148.9131.2-94.8-79.8000110.9
229P32.8Very low27.1Very low110 Ų110145.3 Ų145.371%0.71479%0.791SS**  trans-104.9-166.1-166.546.7-36.3000111.9
230P31.4Very low27.1Very low117 Ų117143.3 Ų143.376%0.7679%0.791SS**  -125.5175.2-101.434.2-13.5000115.7
231A25.2Very low27.3Very low84 Ų84144.3 Ų144.369%0.69480%0.795SS**  trans73.9146148.400000118.3
232R26.9Very low27.5Very low232 Ų232144.3 Ų144.388%0.87579%0.791SS**  cis-171.9136.7-3.7-108.9171.2-173.4-176.42.1105.6
233D25.2Very low27.5Very low146 Ų146145.5 Ų145.578%0.78179%0.786SS**  trans-170.8148.7155.3-90-22.7000104.2
234N31.6Very low27.5Very low143 Ų143143 Ų14377%0.76579%0.789SS**  cis-163.6169.15.8-114.2-37.4000107.2
235K29Very low27.8Very low198 Ų198136.6 Ų136.686%0.86178%0.781SS**  trans-95.1120.3171.6-166.2-179.1-177.2-175.40110.2
236A26.8Very low27.9Very low87 Ų87133.1 Ų133.172%0.71979%0.786SS**  trans64.3129.5144.400000123.2
237A28.1Very low28Very low96 Ų96132.3 Ų132.379%0.79379%0.786SS**  trans70.1141.4141.100000118.7
238S29.7Very low28.5Very low112 Ų112131.6 Ų131.678%0.78380%0.795SS**  cis-172.4161.5-15.4-98.60000107
239S29.2Very low28.7Very low128 Ų128129.5 Ų129.590%0.89579%0.792SS**  trans74.599.5163.868.50000118.8
240S28.4Very low28.8Very low119 Ų119132 Ų13283%0.83279%0.794SS**  trans-107120.3163.450.60000109.7
241I29.8Very low28.8Very low160 Ų160132 Ų13282%0.82179%0.794SS**  trans-83.8126.2148.8-71.5167.7000105.3
242V29Very low29.1Very low108 Ų108139.2 Ų139.266%0.65580%0.803SS**  175.3145129.1-91.20000114.3
243H26Very low29.7Very low173 Ų173134.4 Ų134.480%0.80180%0.799SS**  trans72.9101.2146.4-59.6-38.4000120.4
244S25.9Very low30.1Very low131 Ų131134.7 Ų134.792%0.91680%0.8SS**PPolyproline II helixtrans-95.5123.9151.3-72.50000110.3
245G26.8Very low30.2Very low71 Ų71133.4 Ų133.473%0.73280%0.799SS**PPolyproline II helixtrans-80153.1175.500000113.5
246S28.9Very low30.4Very low118 Ų118128.5 Ų128.583%0.82580%0.795SS**PPolyproline II helixtrans-49.5137.3175.3179.50000114.4
247S27.3Very low30.5Very low113 Ų113131.3 Ų131.379%0.7980%0.803SS**  trans-139106.7158-69.70000109I249S247-I249 PolarHBondContact O-N 3.01Å
248S33Very low30.9Very low111 Ų111138 Ų13878%0.77681%0.808SS**  trans-50.8121.8170.8176.20000112.6
249I31.7Very low30.9Very low163 Ų163138.4 Ų138.484%0.83681%0.806SS**  trans-139.2124.5161.4-56.6-176.6000109.4S247S247-I249 PolarHBondContact O-N 3.01Å
250Q35.3Very low31Very low163 Ų163138.6 Ų138.676%0.76280%0.804SS**  trans-60.2150.6-179.1-68.8-105.92.500114.7R252Q250-R252 PolarHBondContact O-N 3.08Å
251P32Very low30.9Very low116 Ų116139.5 Ų139.575%0.75381%0.805SS**  trans-75.6110168.429.7-29.7000110.5V253P251-V253 PolarHBondContact O-N 3.36Å
252R30.7Very low31Very low235 Ų235141.8 Ų141.889%0.88781%0.809SS**  trans-81.9106.2174.3-167.2174.3-174.7171.40.7109.8Q250Q250-R252 PolarHBondContact O-N 3.08Å
253V38.7Very low31Very low132 Ų132142.2 Ų142.280%0.882%0.817SS**PPolyproline II helixtrans-54.7130.1170.7179.70000110.9P251P251-V253 PolarHBondContact O-N 3.36Å
254L33.4Very low31.2Very low152 Ų152139.4 Ų139.480%0.79682%0.816SS**PPolyproline II helixtrans-95152.2167-69.5179.1000111.2
255P35.2Very low31.4Very low116 Ų116143.3 Ų143.375%0.75382%0.817SS**PPolyproline II helixtrans-84.8152.7-158.1-6.225.3000114.4V257P255-V257 PolarHBondContact O-N 3.14Å
256A33.3Very low31.5Very low94 Ų94145.3 Ų145.378%0.77782%0.819SS**PPolyproline II helixtrans-59.4127.2172.100000112.9R258A256-R258 PolarHBondContact O-N 3.46Å
257V27.8Very low31.4Very low146 Ų146145.4 Ų145.489%0.88582%0.82SS**PPolyproline II helixtrans-64.6116.3167.3173.10000108.7P255P255-V257 PolarHBondContact O-N 3.14Å
258R36.7Very low31.5Very low236 Ų236147.8 Ų147.889%0.89182%0.824SS**PPolyproline II helixtrans-78.7133175.5-72.5179.9169.5165.8-2.7110.3A256A256-R258 PolarHBondContact O-N 3.46Å
259T30.6Very low31.2Very low121 Ų121147.2 Ų147.274%0.74283%0.826SS**PPolyproline II helixtrans-62.1147.8167.249.20000111.7T261T259-T261 PolarHBondContact O-N 2.96Å
260P31.2Very low31.3Very low132 Ų132147.4 Ų147.486%0.85783%0.829SS**PPolyproline II helixtrans-63.2121.8178.1-20.932.4000112.8K262P260-K262 PolarHBondContact O-N 3.49Å
261T25.6Very low31.1Very low139 Ų139144.2 Ų144.285%0.85383%0.825SS**  trans-72.2112.716644.20000109.7T259T259-T261 PolarHBondContact O-N 2.96Å
262K31.7Very low31.3Very low208 Ų208149.5 Ų149.590%0.90483%0.83SS**  trans-87.9108.2167.9-159.3171.2-174.2176.10108.5P260P260-K262 PolarHBondContact O-N 3.49Å
263S29.1Very low31.5Very low116 Ų116147.2 Ų147.281%0.81183%0.829SS**  trans-78.1133.6169.847.10000109.8
264S31Very low31.6Very low114 Ų114147.4 Ų147.480%0.79783%0.831SS**  trans-143.2119.3161.6590000110.2
265K29.4Very low32Very low214 Ų214144.3 Ų144.393%0.9383%0.827SS**  trans-74.1147.1160.5-83.7177.9175.6175.40109.5
266S29.5Very low32.1Very low112 Ų112147.2 Ų147.278%0.78383%0.83SS**  trans-56144.5-175.2-178.90000116.2
267S27.2Very low32.5Very low120 Ų120151.4 Ų151.484%0.83983%0.834SS**  -169.1139.112728.20000112.1
268N27.8Very low33.2Very low163 Ų163147.6 Ų147.687%0.87281%0.814SS**  trans-62.5146.1179.5-86.5-20.5000114.5
269A27.7Very low33.7Very low100 Ų100141.9 Ų141.983%0.82680%0.801SS**  -179.4138.3120.500000112.1
270N33.2Very low34.7Very low167 Ų167140.4 Ų140.489%0.89380%0.796SS**  trans-55.5144.8172.1-80.5-21000113.4
271S31.4Very low35.8Very low96 Ų96144 Ų14467%0.67179%0.792SS**  163.9120.2123.71790000113
272R36.8Very low37.2Very low227 Ų227142.7 Ų142.786%0.85778%0.776SS**  trans59.7146.4140.3-64.9176.1-179.6-179.70.3121.6
273Q33.6Very low38.4Very low186 Ų186135.4 Ų135.487%0.86976%0.755SS**  trans98.297.4155.2-77.5166.1-31.900119.2
274T41.9Very low39.9Very low137 Ų137132.2 Ų132.284%0.8474%0.735SS**  trans-33.5126.8138.944.90000113.8
275A41.5Very low40.9Very low87 Ų87129.3 Ų129.372%0.71972%0.718SS**  trans163.3-4.613700000116.3
276E37.8Very low42.2Very low176 Ų176125.2 Ų125.282%0.82270%0.703SS**  trans-112.727.5-166.1-60.2-168.6147.200116.7
277Q41.3Very low44Very low183 Ų183122.6 Ų122.686%0.85569%0.687SS**SBendtrans-101.4-6.3-178.6-86.3-174.8-10.500115.8
278S43.3Very low45.9Very low66 Ų66125.6 Ų125.646%0.46268%0.682SS.*SBendtrans-77.2-48.7174.4410000111.9S280 R281 E282S278-S280 VanDerWaalsContact C-N 3.33Å; S278-S280 PolarHBondContact O-N 3.06Å; S278-R281 PolarHBondContact O-N 3.39Å; S278-E282 PolarHBondContact O-N 3.32Å
279D46.8Very low47.6Very low115 Ų115123.1 Ų123.162%0.61567%0.668SS**Hα-helixtrans-66.6-32-169.1-60.3-32.7000113.5R281 A283D279-R281 VanDerWaalsContact C-N 3.34Å; D279-R281 PolarHBondContact O-N 2.93Å; D279-A283 WeakPolarHBondContact O-CB 3.4Å; D279-A283 PolarHBondContact O-N 2.99Å; D279-A283 VanDerWaalsContact O-N 3.07Å
280S50.3Low49.4Very low90 Ų90124.5 Ų124.563%0.62966%0.657SS**Hα-helixtrans-74.4-23.2-178.7-177.60000113.6S278 A284S278-S280 VanDerWaalsContact C-N 3.33Å; S278-S280 PolarHBondContact O-N 3.06Å; S280-A284 PolarHBondContact O-N 2.98Å
281R55.2Low51Low208 Ų208121.3 Ų121.379%0.78564%0.637SS**Hα-helixtrans-87.9-32.6-179.7-163.9175.2180178.8-1111.4S278 D279 A285S278-R281 PolarHBondContact O-N 3.39Å; D279-R281 VanDerWaalsContact C-N 3.34Å; D279-R281 PolarHBondContact O-N 2.93Å; R281-A285 WeakPolarHBondContact O-CB 3.5Å; R281-A285 PolarHBondContact O-N 3.49Å; R281-A285 VanDerWaalsContact O-N 3.16Å
282E54.7Low52.2Low112 Ų112119.1 Ų119.152%0.52362%0.624SS.*Hα-helixtrans-67.1-44.8170.4-79.8145.5175.100111S278 A284 A285 E286S278-E282 PolarHBondContact O-N 3.32Å; E282-A284 VanDerWaalsContact C-N 3.34Å; E282-A284 PolarHBondContact O-N 3.44Å; E282-A285 PolarHBondContact O-N 3.36Å; E282-A285 VanDerWaalsContact O-N 3.16Å; E282-E286 WeakPolarHBondContact O-CG 3.4Å; E282-E286 PolarHBondContact O-N 3.32Å
283A57.3Low53.3Low55 Ų55112.3 Ų112.346%0.45560%0.602SS.*Hα-helixtrans-62.3-36.3176.200000113.8D279 A287D279-A283 WeakPolarHBondContact O-CB 3.4Å; D279-A283 PolarHBondContact O-N 2.99Å; D279-A283 VanDerWaalsContact O-N 3.07Å; A283-A287 WeakPolarHBondContact O-CB 3.32Å; A283-A287 PolarHBondContact O-N 2.83Å; A283-A287 VanDerWaalsContact O-N 3.07Å
284A60Low54.6Low48 Ų48111.4 Ų111.440%0.39759%0.591SS.*Hα-helixtrans-70.4-38.8175.700000111.8S280 E282 Y288S280-A284 PolarHBondContact O-N 2.98Å; E282-A284 VanDerWaalsContact C-N 3.34Å; E282-A284 PolarHBondContact O-N 3.44Å; A284-Y288 WeakPolarHBondContact O-CD2 3.29Å; A284-Y288 PolarHBondContact O-N 2.81Å
285A52.1Low55.2Low53 Ų53113.1 Ų113.144%0.43859%0.589SS.*Hα-helixtrans-68.4-37.6176.700000112R281 E282 Y288 L289R281-A285 WeakPolarHBondContact O-CB 3.5Å; R281-A285 PolarHBondContact O-N 3.49Å; R281-A285 VanDerWaalsContact O-N 3.16Å; E282-A285 PolarHBondContact O-N 3.36Å; E282-A285 VanDerWaalsContact O-N 3.16Å; A285-Y288 PolarHBondContact O-N 3.18Å; A285-L289 WeakPolarHBondContact O-CG 3.34Å; A285-L289 PolarHBondContact O-N 2.87Å
286E57.8Low55.7Low129 Ų129112 Ų11260%0.60358%0.579SS**Hα-helixtrans-64.8-42.9174.3-76.7179.4167.100111.9E282 Y288 L289 E290E282-E286 WeakPolarHBondContact O-CG 3.4Å; E282-E286 PolarHBondContact O-N 3.32Å; E286-Y288 VanDerWaalsContact C-N 3.33Å; E286-Y288 PolarHBondContact O-N 2.97Å; E286-L289 PolarHBondContact O-N 2.93Å; E286-L289 VanDerWaalsContact O-N 3.14Å; E286-E290 WeakPolarHBondContact O-CB 3.36Å; E286-E290 PolarHBondContact O-N 3.34Å
287A66.4Low56.2Low56 Ų56106.8 Ų106.846%0.46357%0.573SS.*Hα-helixtrans-60.7-38.8177.700000113.1A283 E290 E291A283-A287 WeakPolarHBondContact O-CB 3.32Å; A283-A287 PolarHBondContact O-N 2.83Å; A283-A287 VanDerWaalsContact O-N 3.07Å; A287-E290 PolarHBondContact O-N 3.47Å; A287-E291 WeakPolarHBondContact O-CB 3.38Å; A287-E291 PolarHBondContact O-N 3.04Å
288Y66.5Low56.7Low183 Ų183104 Ų10472%0.71856%0.559SS**Hα-helixtrans-69.9-34.8175.9-81.2-68.3000113A284 A285 E286 A292A284-Y288 WeakPolarHBondContact O-CD2 3.29Å; A284-Y288 PolarHBondContact O-N 2.81Å; A285-Y288 PolarHBondContact O-N 3.18Å; E286-Y288 VanDerWaalsContact C-N 3.33Å; E286-Y288 PolarHBondContact O-N 2.97Å; Y288-A292 PolarHBondContact O-N 2.86Å
289L64.2Low57Low112 Ų112106.6 Ų106.659%0.58658%0.577SS**Hα-helixtrans-69.9-38.1175.7-70.6169.6000111A285 E286 A292 H293A285-L289 WeakPolarHBondContact O-CG 3.34Å; A285-L289 PolarHBondContact O-N 2.87Å; E286-L289 PolarHBondContact O-N 2.93Å; E286-L289 VanDerWaalsContact O-N 3.14Å; L289-A292 PolarHBondContact O-N 3.02Å; L289-H293 PolarHBondContact O-CD2 3.34Å; L289-H293 PolarHBondContact O-N 2.7Å; L289-H293 VanDerWaalsContact O-N 3.07Å
290E65.2Low57.5Low129 Ų129106.9 Ų106.960%0.60357%0.573SS**Hα-helixtrans-71.8-35.2178.8-160.3148.8-144.200112.5E286 A287 H293 R294E286-E290 WeakPolarHBondContact O-CB 3.36Å; E286-E290 PolarHBondContact O-N 3.34Å; A287-E290 PolarHBondContact O-N 3.47Å; E290-H293 PolarHBondContact O-N 3.16Å; E290-R294 PolarHBondContact O-N 3.5Å; E290-R294 VanDerWaalsContact O-N 3.07Å
291E66.1Low57.9Low100 Ų100105.3 Ų105.347%0.46756%0.56SS.*Hα-helixtrans-59.8-46.4169.7-172.487-13600111.5A287 H293 R294 E295A287-E291 WeakPolarHBondContact O-CB 3.38Å; A287-E291 PolarHBondContact O-N 3.04Å; E291-H293 VanDerWaalsContact C-N 3.34Å; E291-H293 PolarHBondContact O-N 3.16Å; E291-R294 WeakPolarHBondContact O-CB 3.32Å; E291-R294 PolarHBondContact O-N 3.24Å; E291-R294 IonicContact OE1-CZ 2.75Å; E291-R294 IonicContact OE1-NH2 2.71Å; E291-R294 PolarHBondContact OE1-NH2 3.38Å; E291-R294 IonicContact OE2-NH2 3.91Å; E291-R294 PolarHBondContact OE2-NH2 3.19Å; E291-E295 PolarHBondContact O-N 3.45Å
292A58Low57.8Low49 Ų4999.9 Ų99.941%0.40554%0.54SS..Hα-helixtrans-67.3-32.8178.700000112.9Y288 L289 A296Y288-A292 PolarHBondContact O-N 2.86Å; L289-A292 PolarHBondContact O-N 3.02Å; A292-A296 WeakPolarHBondContact O-CB 3.36Å; A292-A296 PolarHBondContact O-N 3Å; A292-A296 VanDerWaalsContact O-N 3.14Å
293H59.5Low58Low84 Ų84100.8 Ų100.839%0.38955%0.554SS.*Hα-helixtrans-68.8-37.5174.5-83.8-129.2000112.3L289 E290 E291 A296 F298L289-H293 PolarHBondContact O-CD2 3.34Å; L289-H293 PolarHBondContact O-N 2.7Å; L289-H293 VanDerWaalsContact O-N 3.07Å; E290-H293 PolarHBondContact O-N 3.16Å; E291-H293 VanDerWaalsContact C-N 3.34Å; E291-H293 PolarHBondContact O-N 3.16Å; H293-A296 PolarHBondContact O-N 2.89Å; H293-F298 PolarHBondContact O-N 2.85Å
294R61.8Low58.2Low168 Ų168104.1 Ų104.163%0.63456%0.56SS**Hα-helixtrans-65.9-41.5174.6-179.617363.2-157.61.9111.7E290 E291 A296 G297E290-R294 PolarHBondContact O-N 3.5Å; E290-R294 VanDerWaalsContact O-N 3.07Å; E291-R294 WeakPolarHBondContact O-CB 3.32Å; E291-R294 PolarHBondContact O-N 3.24Å; E291-R294 IonicContact OE1-CZ 2.75Å; E291-R294 IonicContact OE1-NH2 2.71Å; E291-R294 PolarHBondContact OE1-NH2 3.38Å; E291-R294 IonicContact OE2-NH2 3.91Å; E291-R294 PolarHBondContact OE2-NH2 3.19Å; R294-A296 VanDerWaalsContact C-N 3.32Å; R294-A296 PolarHBondContact O-N 2.93Å; R294-G297 PolarHBondContact O-N 3.16Å
295E53.7Low58.4Low173 Ų173103.9 Ų103.981%0.80855%0.552SS**Hα-helixtrans-69.1-29.3179.1-159173.1-163.100112.5E291 G297E291-E295 PolarHBondContact O-N 3.45Å; E295-G297 VanDerWaalsContact C-N 3.32Å; E295-G297 PolarHBondContact O-N 3.09Å
296A51.7Low59.6Low62 Ų62107 Ų10751%0.51256%0.56SS.*THydrogen-bonded Turntrans-843.9176.900000115A292 H293 R294 F298A292-A296 WeakPolarHBondContact O-CB 3.36Å; A292-A296 PolarHBondContact O-N 3Å; A292-A296 VanDerWaalsContact O-N 3.14Å; H293-A296 PolarHBondContact O-N 2.89Å; R294-A296 VanDerWaalsContact C-N 3.32Å; R294-A296 PolarHBondContact O-N 2.93Å; A296-F298 HydrophobicContact CB-CD2 3.81Å; A296-F298 HydrophobicContact CB-CE2 3.94Å; A296-F298 PolarHBondContact O-N 3.06Å
297G49.3Very low60.3Low67 Ų67105.4 Ų105.469%0.69156%0.561SS**THydrogen-bonded Turntrans75.717174.300000115.7R294 E295 S299R294-G297 PolarHBondContact O-N 3.16Å; E295-G297 VanDerWaalsContact C-N 3.32Å; E295-G297 PolarHBondContact O-N 3.09Å; G297-S299 PolarHBondContact O-N 2.53Å
298F50.9Low60.4Low125 Ų125106.1 Ų106.155%0.54856%0.563SS.*  trans-83.8102.8174.8-68.5-78.8000110.5H293 A296 K300H293-F298 PolarHBondContact O-N 2.85Å; A296-F298 HydrophobicContact CB-CD2 3.81Å; A296-F298 HydrophobicContact CB-CE2 3.94Å; A296-F298 PolarHBondContact O-N 3.06Å; F298-K300 PolarHBondContact O-N 2.87Å; F298-K300 VanDerWaalsContact O-N 3.14Å
299S49.6Very low60.8Low121 Ų121102.2 Ų102.285%0.84655%0.551SS**  trans-72.74-176.6177.80000115.4G297G297-S299 PolarHBondContact O-N 2.53Å
300K57Low61.4Low121 Ų12199.7 Ų99.753%0.52654%0.536SS..SBendtrans-137.3136.7179.3-66.4-174.2-179.9-1760111.6F298 E304F298-K300 PolarHBondContact O-N 2.87Å; F298-K300 VanDerWaalsContact O-N 3.14Å; K300-E304 HydrophobicContact CB-CB 4.31Å
301P58.3Low62Low56 Ų5698.9 Ų98.936%0.36453%0.533SS..  trans-61.8150.7174.325.1-31.3000110.5T303 E304P301-T303 PolarHBondContact O-N 2.94Å; P301-E304 HydrophobicContact CG-CB 4.3Å; P301-E304 HydrophobicContact CG-CG 3.97Å; P301-E304 PolarHBondContact O-N 3.47Å
302Y53.6Low62.6Low94 Ų94100.5 Ų100.537%0.36954%0.54SS..G310 helixtrans-52.3-25.1-178.3-179.8-107.4000113.4Q310Y302-Q310 HydrophobicContact CD1-CG 4.4Å; Y302-Q310 VanDerWaalsContact CD1-NE2 3.27Å; Y302-Q310 HydrophobicContact CD2-CG 4.06Å; Y302-Q310 HydrophobicContact CE1-CG 3.81Å; Y302-Q310 HydrophobicContact CE2-CB 4.48Å; Y302-Q310 HydrophobicContact CE2-CG 3.38Å; Y302-Q310 VanDerWaalsContact CZ-NE2 3.28Å; Y302-Q310 VanDerWaalsContact OH-CG 3.29Å; Y302-Q310 WeakPolarHBondContact OH-CG 3.48Å
303T59.6Low63.2Low131 Ų131101.1 Ų101.180%0.80454%0.536SS*.G310 helixtrans-74.6-17.2177.6-40.40000114.2P301P301-T303 PolarHBondContact O-N 2.94Å
304E62Low64.2Low126 Ų126103.1 Ų103.159%0.58955%0.546SS*.G310 helixtrans-101.62.3-179.7-76.5-175.7-175.200114.1K300 P301K300-E304 HydrophobicContact CB-CB 4.31Å; P301-E304 HydrophobicContact CG-CB 4.3Å; P301-E304 HydrophobicContact CG-CG 3.97Å; P301-E304 PolarHBondContact O-N 3.47Å
305L62.3Low65.2Low43 Ų43100.5 Ų100.523%0.22554%0.541CS..SBendtrans-84148.8176.9-63.2176.6000111.2Q309 L313L305-Q309 HydrophobicContact CB-CB 4.42Å; L305-L313 HydrophobicContact CD1-CD1 3.7Å
306L78.2Confident66Low118 Ų118100.4 Ų100.462%0.61853%0.533SS*.  trans-58.7143.2172.3-113.975.1000109.6S308 Q309 Q310L306-S308 PolarHBondContact O-N 3.49Å; L306-Q309 PolarHBondContact O-N 3.07Å; L306-Q310 PolarHBondContact O-N 2.88Å
307P71.9Confident67Low96 Ų96100 Ų10062%0.62353%0.53SS*.Hα-helixtrans-52.7-33.3-178.7-28.734.8000113.9Q310 E311P307-Q310 PolarHBondContact O-N 3.04Å; P307-E311 WeakPolarHBondContact O-CB 3.5Å; P307-E311 PolarHBondContact O-N 3.14Å
308S69.9Low68.6Low71 Ų7199.7 Ų99.750%0.49752%0.521SS..Hα-helixtrans-68.5-36.117655.10000113.8L306 Q312L306-S308 PolarHBondContact O-N 3.49Å; S308-Q312 WeakPolarHBondContact O-CB 3.45Å; S308-Q312 PolarHBondContact O-N 3.38Å
309Q73.1Confident70.4Confident101 Ų10199.9 Ų99.947%0.47252%0.519SS..Hα-helixtrans-73.7-37.6175.2-72.6-175-12.900111.3L305 L306 Q312 L313L305-Q309 HydrophobicContact CB-CB 4.42Å; L306-Q309 PolarHBondContact O-N 3.07Å; Q309-Q312 PolarHBondContact O-N 3.34Å; Q309-L313 WeakPolarHBondContact O-CG 3.14Å; Q309-L313 PolarHBondContact O-N 3.14Å
310Q77.3Confident72.1Confident59 Ų5998.8 Ų98.828%0.27650%0.503SS..Hα-helixtrans-61.5-46.5174.8-163.8179.222.200111.1Y302 L306 P307 Q312 L313 Q314Y302-Q310 HydrophobicContact CD1-CG 4.4Å; Y302-Q310 VanDerWaalsContact CD1-NE2 3.27Å; Y302-Q310 HydrophobicContact CD2-CG 4.06Å; Y302-Q310 HydrophobicContact CE1-CG 3.81Å; Y302-Q310 HydrophobicContact CE2-CB 4.48Å; Y302-Q310 HydrophobicContact CE2-CG 3.38Å; Y302-Q310 VanDerWaalsContact CZ-NE2 3.28Å; Y302-Q310 VanDerWaalsContact OH-CG 3.29Å; Y302-Q310 WeakPolarHBondContact OH-CG 3.48Å; L306-Q310 PolarHBondContact O-N 2.88Å; P307-Q310 PolarHBondContact O-N 3.04Å; Q310-Q312 PolarHBondContact O-N 2.9Å; Q310-L313 PolarHBondContact O-N 2.99Å; Q310-Q314 WeakPolarHBondContact O-CB 3.27Å; Q310-Q314 PolarHBondContact O-N 3.44Å
311E78.6Confident73.2Confident112 Ų112100.7 Ų100.752%0.52351%0.507SS..Hα-helixtrans-62.4-42.3175.7-171.7177.1-173.400111.7P307 L313 Q314 Q315P307-E311 WeakPolarHBondContact O-CB 3.5Å; P307-E311 PolarHBondContact O-N 3.14Å; E311-L313 PolarHBondContact O-N 3.48Å; E311-Q314 PolarHBondContact O-N 3.48Å; E311-Q315 WeakPolarHBondContact O-CB 3.41Å; E311-Q315 VanDerWaalsContact O-CG 3.31Å; E311-Q315 WeakPolarHBondContact O-CG 3.35Å; E311-Q315 PolarHBondContact O-N 3.19Å
312Q77.7Confident74.7Confident134 Ų134104.1 Ų104.163%0.62652%0.518SS*.Hα-helixtrans-63.6-39.5177.4-168.6176.98.400112.4S308 Q309 Q310 Q315 R316S308-Q312 WeakPolarHBondContact O-CB 3.45Å; S308-Q312 PolarHBondContact O-N 3.38Å; Q309-Q312 PolarHBondContact O-N 3.34Å; Q310-Q312 PolarHBondContact O-N 2.9Å; Q312-Q315 PolarHBondContact O-N 3.07Å; Q312-R316 WeakPolarHBondContact O-CB 3.47Å; Q312-R316 PolarHBondContact O-N 3.4Å
313L71.3Confident76.1Confident62 Ų62103.3 Ų103.333%0.32552%0.517SS..Hα-helixtrans-65.8-39.5173.7-72.9173.5000111.7L305 Q309 Q310 E311 R316 A317L305-L313 HydrophobicContact CD1-CD1 3.7Å; Q309-L313 WeakPolarHBondContact O-CG 3.14Å; Q309-L313 PolarHBondContact O-N 3.14Å; Q310-L313 PolarHBondContact O-N 2.99Å; E311-L313 PolarHBondContact O-N 3.48Å; L313-R316 PolarHBondContact O-N 3.34Å; L313-A317 WeakPolarHBondContact O-CB 3.13Å; L313-A317 PolarHBondContact O-N 2.9Å
314Q79.8Confident77Confident125 Ų125104.1 Ų104.158%0.58451%0.506SS*.Hα-helixtrans-67.1-40.9177.3-164.2172.913.300111.9Q310 E311 A317 A318Q310-Q314 WeakPolarHBondContact O-CB 3.27Å; Q310-Q314 PolarHBondContact O-N 3.44Å; E311-Q314 PolarHBondContact O-N 3.48Å; Q314-A317 PolarHBondContact O-N 3.4Å; Q314-A318 WeakPolarHBondContact O-CB 3.19Å; Q314-A318 PolarHBondContact O-N 3.22Å
315Q82.9Confident78.2Confident114 Ų114101.7 Ų101.753%0.53350%0.497SS..Hα-helixtrans-62-43.9172.7-72.3177.610.600111.3E311 Q312 A318 Y319E311-Q315 WeakPolarHBondContact O-CB 3.41Å; E311-Q315 VanDerWaalsContact O-CG 3.31Å; E311-Q315 WeakPolarHBondContact O-CG 3.35Å; E311-Q315 PolarHBondContact O-N 3.19Å; Q312-Q315 PolarHBondContact O-N 3.07Å; Q315-A318 PolarHBondContact O-N 3.32Å; Q315-Y319 WeakPolarHBondContact O-CB 3.38Å; Q315-Y319 PolarHBondContact O-N 3.07Å
316R70.6Confident79.5Confident171 Ų171105.9 Ų105.965%0.64551%0.513SS*.Hα-helixtrans-62.4-43.2175.2-174.9177.3-179.6167.5-0.1111.7Q312 L313 Y319 L320Q312-R316 WeakPolarHBondContact O-CB 3.47Å; Q312-R316 PolarHBondContact O-N 3.4Å; L313-R316 PolarHBondContact O-N 3.34Å; R316-Y319 PolarHBondContact O-N 2.95Å; R316-L320 HydrophobicContact CG-CD1 4.13Å; R316-L320 WeakPolarHBondContact O-CB 3.4Å; R316-L320 VanDerWaalsContact O-CG 3.3Å; R316-L320 WeakPolarHBondContact O-CG 3.46Å; R316-L320 PolarHBondContact O-N 3.16Å
317A73.9Confident79.6Confident54 Ų54106 Ų10645%0.44651%0.513SS..Hα-helixtrans-64.4-41.3177.500000111.9L313 Q314 L320 R321L313-A317 WeakPolarHBondContact O-CB 3.13Å; L313-A317 PolarHBondContact O-N 2.9Å; Q314-A317 PolarHBondContact O-N 3.4Å; A317-L320 PolarHBondContact O-N 3.41Å; A317-R321 WeakPolarHBondContact O-CB 3.36Å; A317-R321 PolarHBondContact O-N 3.29Å
318A82.8Confident80Confident60 Ų60107.4 Ų107.450%0.49651%0.512SS..Hα-helixtrans-63.3-44.2175.100000111.5Q314 Q315 R321 Q322Q314-A318 WeakPolarHBondContact O-CB 3.19Å; Q314-A318 PolarHBondContact O-N 3.22Å; Q315-A318 PolarHBondContact O-N 3.32Å; A318-R321 PolarHBondContact O-N 3.05Å; A318-Q322 WeakPolarHBondContact O-CB 3.32Å; A318-Q322 PolarHBondContact O-N 3.48Å
319Y88.5Confident81Confident129 Ų129106.8 Ų106.851%0.50651%0.511SS..Hα-helixtrans-61.4-47.2176.6179.7-101.2000112.2Q315 R316 R321 Q322 Q323Q315-Y319 WeakPolarHBondContact O-CB 3.38Å; Q315-Y319 PolarHBondContact O-N 3.07Å; R316-Y319 PolarHBondContact O-N 2.95Å; Y319-R321 VanDerWaalsContact C-N 3.32Å; Y319-R321 PolarHBondContact O-N 3.48Å; Y319-Q322 WeakPolarHBondContact O-CB 3.44Å; Y319-Q322 PolarHBondContact O-N 3.49Å; Y319-Q323 HydrophobicContact CD1-CG 4.26Å; Y319-Q323 HydrophobicContact CE1-CG 3.84Å; Y319-Q323 HydrophobicContact CE2-CG 4.39Å; Y319-Q323 WeakPolarHBondContact O-CG 3.34Å; Y319-Q323 PolarHBondContact O-N 3.34Å; Y319-Q323 PolarHBondContact OH-NE2 2.62Å; Y319-Q323 VanDerWaalsContact OH-NE2 3.14Å
320L85Confident81.3Confident98 Ų98107.1 Ų107.151%0.51352%0.515SS..Hα-helixtrans-63.7-37.9177.9-70.9171.7000112.1R316 A317 Q323 R324R316-L320 HydrophobicContact CG-CD1 4.13Å; R316-L320 WeakPolarHBondContact O-CB 3.4Å; R316-L320 VanDerWaalsContact O-CG 3.3Å; R316-L320 WeakPolarHBondContact O-CG 3.46Å; R316-L320 PolarHBondContact O-N 3.16Å; A317-L320 PolarHBondContact O-N 3.41Å; L320-Q323 PolarHBondContact O-N 3.35Å; L320-R324 WeakPolarHBondContact O-CB 3.4Å; L320-R324 PolarHBondContact O-N 2.88Å
321R80.6Confident81.3Confident161 Ų161110.9 Ų110.961%0.60853%0.531SS*.Hα-helixtrans-62.4-44.8173.6-169.8-179.7-64.1-164.5-0.1111.2A317 A318 Y319 Q323 R324 D325A317-R321 WeakPolarHBondContact O-CB 3.36Å; A317-R321 PolarHBondContact O-N 3.29Å; A318-R321 PolarHBondContact O-N 3.05Å; Y319-R321 VanDerWaalsContact C-N 3.32Å; Y319-R321 PolarHBondContact O-N 3.48Å; R321-Q323 VanDerWaalsContact C-N 3.34Å; R321-Q323 PolarHBondContact O-N 3.46Å; R321-R324 PolarHBondContact O-N 3.46Å; R321-D325 WeakPolarHBondContact O-CB 3.42Å; R321-D325 PolarHBondContact O-N 3.27Å
322Q89.6Confident81.5Confident128 Ų128112.6 Ų112.660%0.59854%0.536SS*.Hα-helixtrans-61.1-41.9176-170.5-177.826.500111.8A318 Y319 D325 K326A318-Q322 WeakPolarHBondContact O-CB 3.32Å; A318-Q322 PolarHBondContact O-N 3.48Å; Y319-Q322 WeakPolarHBondContact O-CB 3.44Å; Y319-Q322 PolarHBondContact O-N 3.49Å; Q322-D325 PolarHBondContact O-N 3.14Å; Q322-K326 VanDerWaalsContact O-CB 3.29Å; Q322-K326 WeakPolarHBondContact O-CB 3.41Å; Q322-K326 PolarHBondContact O-N 3.33Å
323Q81.8Confident81.7Confident76 Ų76110.7 Ų110.736%0.35553%0.527SS..Hα-helixtrans-63.4-45.6176.4-72-62.7-24.200112Y319 L320 R321 D325 K326 L327Y319-Q323 HydrophobicContact CD1-CG 4.26Å; Y319-Q323 HydrophobicContact CE1-CG 3.84Å; Y319-Q323 HydrophobicContact CE2-CG 4.39Å; Y319-Q323 WeakPolarHBondContact O-CG 3.34Å; Y319-Q323 PolarHBondContact O-N 3.34Å; Y319-Q323 PolarHBondContact OH-NE2 2.62Å; Y319-Q323 VanDerWaalsContact OH-NE2 3.14Å; L320-Q323 PolarHBondContact O-N 3.35Å; R321-Q323 VanDerWaalsContact C-N 3.34Å; R321-Q323 PolarHBondContact O-N 3.46Å; Q323-D325 PolarHBondContact O-N 3.07Å; Q323-K326 PolarHBondContact O-N 3.27Å; Q323-L327 WeakPolarHBondContact O-CB 3.47Å; Q323-L327 PolarHBondContact O-N 3.03Å
324R79.6Confident81.9Confident148 Ų148113.3 Ų113.356%0.55854%0.538SS*.Hα-helixtrans-58.3-47.9174.9-179.1-160.267.3-175.9-0.2111.4L320 R321 K326 L327 H328L320-R324 WeakPolarHBondContact O-CB 3.4Å; L320-R324 PolarHBondContact O-N 2.88Å; R321-R324 PolarHBondContact O-N 3.46Å; R324-K326 VanDerWaalsContact C-N 3.34Å; R324-K326 PolarHBondContact O-N 3.29Å; R324-L327 PolarHBondContact O-N 3.47Å; R324-H328 WeakPolarHBondContact O-CB 3.32Å; R324-H328 PolarHBondContact O-N 3.27Å
325D87.4Confident81.4Confident76 Ų76112.8 Ų112.841%0.40654%0.536SS..Hα-helixtrans-68.1-37.4-176.2-66.1-9.4000111R321 Q322 Q323 H328 A329R321-D325 WeakPolarHBondContact O-CB 3.42Å; R321-D325 PolarHBondContact O-N 3.27Å; Q322-D325 PolarHBondContact O-N 3.14Å; Q323-D325 PolarHBondContact O-N 3.07Å; D325-H328 PolarHBondContact O-N 3.42Å; D325-A329 WeakPolarHBondContact O-CB 3.47Å; D325-A329 PolarHBondContact O-N 3.05Å
326K89.5Confident81.1Confident131 Ų131113.2 Ų113.257%0.5754%0.536SS*.Hα-helixtrans-61.2-44.3172-173.2178.9-177.9-177.70111.9Q322 Q323 R324 A329 L330Q322-K326 VanDerWaalsContact O-CB 3.29Å; Q322-K326 WeakPolarHBondContact O-CB 3.41Å; Q322-K326 PolarHBondContact O-N 3.33Å; Q323-K326 PolarHBondContact O-N 3.27Å; R324-K326 VanDerWaalsContact C-N 3.34Å; R324-K326 PolarHBondContact O-N 3.29Å; K326-A329 PolarHBondContact O-N 3.06Å; K326-L330 WeakPolarHBondContact O-CG 3.31Å; K326-L330 PolarHBondContact O-N 3.27Å
327L80.1Confident81.2Confident119 Ų119109.5 Ų109.562%0.62353%0.528SS*.Hα-helixtrans-66-42.5178.1-160.8156.1000111Q323 R324 A329 L330 K331Q323-L327 WeakPolarHBondContact O-CB 3.47Å; Q323-L327 PolarHBondContact O-N 3.03Å; R324-L327 PolarHBondContact O-N 3.47Å; L327-A329 VanDerWaalsContact C-N 3.33Å; L327-A329 PolarHBondContact O-N 3.49Å; L327-L330 PolarHBondContact O-N 3.49Å; L327-K331 WeakPolarHBondContact O-CB 3.48Å; L327-K331 PolarHBondContact O-N 3.4Å
328H80.1Confident80.8Confident126 Ų126115.5 Ų115.558%0.58354%0.539SS*.Hα-helixtrans-65.2-36.8176.4-162.5-84.4000112.1R324 D325 K331 K332R324-H328 WeakPolarHBondContact O-CB 3.32Å; R324-H328 PolarHBondContact O-N 3.27Å; D325-H328 PolarHBondContact O-N 3.42Å; H328-K331 PolarHBondContact O-N 2.97Å; H328-K332 WeakPolarHBondContact O-CB 3.45Å; H328-K332 PolarHBondContact O-N 3.3Å
329A90.2Very high79.9Confident58 Ų58118.4 Ų118.448%0.47954%0.542SS..Hα-helixtrans-65.2-45.6173.800000111.9D325 K326 L327 K331 K332 E333D325-A329 WeakPolarHBondContact O-CB 3.47Å; D325-A329 PolarHBondContact O-N 3.05Å; K326-A329 PolarHBondContact O-N 3.06Å; L327-A329 VanDerWaalsContact C-N 3.33Å; L327-A329 PolarHBondContact O-N 3.49Å; A329-K331 VanDerWaalsContact C-N 3.32Å; A329-K331 PolarHBondContact O-N 2.93Å; A329-K332 PolarHBondContact O-N 2.93Å; A329-E333 PolarHBondContact O-N 3.41Å
330L80.5Confident78.4Confident108 Ų108116.1 Ų116.157%0.56554%0.542SS*.Hα-helixtrans-60.3-41.9174.6-76.3170.4000111.9K326 L327 E333 Q334K326-L330 WeakPolarHBondContact O-CG 3.31Å; K326-L330 PolarHBondContact O-N 3.27Å; L327-L330 PolarHBondContact O-N 3.49Å; L330-E333 PolarHBondContact O-N 3.04Å; L330-Q334 WeakPolarHBondContact O-CB 3.49Å; L330-Q334 PolarHBondContact O-N 3.4Å
331K77.4Confident77Confident139 Ų139114.7 Ų114.760%0.60454%0.544SS*.Hα-helixtrans-63.6-41.5175.9-170.6176.3-178.9175.60111.7L327 H328 A329 Q335L327-K331 WeakPolarHBondContact O-CB 3.48Å; L327-K331 PolarHBondContact O-N 3.4Å; H328-K331 PolarHBondContact O-N 2.97Å; A329-K331 VanDerWaalsContact C-N 3.32Å; A329-K331 PolarHBondContact O-N 2.93Å; K331-Q335 VanDerWaalsContact O-CB 3.31Å; K331-Q335 WeakPolarHBondContact O-CB 3.49Å; K331-Q335 PolarHBondContact O-N 3.31Å
332K81.6Confident75.6Confident147 Ų147111.3 Ų111.364%0.63955%0.551SS**Hα-helixtrans-66.1-39176.6-170.6178.5179-176.80111.9H328 A329 Q335 K336H328-K332 WeakPolarHBondContact O-CB 3.45Å; H328-K332 PolarHBondContact O-N 3.3Å; A329-K332 PolarHBondContact O-N 2.93Å; K332-Q335 PolarHBondContact O-N 2.97Å; K332-K336 WeakPolarHBondContact O-CB 3.37Å; K332-K336 PolarHBondContact O-N 2.72Å
333E82.9Confident73.9Confident94 Ų94112.4 Ų112.444%0.43956%0.56SS.*Hα-helixtrans-68.8-44.9176.2-165.959.8-144.700111.2A329 L330 Q335 K336 I337A329-E333 PolarHBondContact O-N 3.41Å; L330-E333 PolarHBondContact O-N 3.04Å; E333-Q335 VanDerWaalsContact C-N 3.28Å; E333-Q335 PolarHBondContact O-N 3.27Å; E333-K336 CarbonylContact O-C 3.48Å; E333-K336 WeakPolarHBondContact O-CB 3.3Å; E333-K336 PolarHBondContact O-N 3.44Å; E333-K336 VanDerWaalsContact O-N 3.08Å; E333-I337 HydrophobicContact CG-CD1 4.17Å; E333-I337 VanDerWaalsContact O-CG1 3.32Å; E333-I337 WeakPolarHBondContact O-CG1 2.93Å; E333-I337 PolarHBondContact O-N 3.39Å
334Q75.1Confident72.1Confident118 Ų118117.2 Ų117.255%0.55158%0.582SS**Hα-helixtrans-56.9-42.6171.6-96.7-163.54600112.1L330 K336 I337 R338L330-Q334 WeakPolarHBondContact O-CB 3.49Å; L330-Q334 PolarHBondContact O-N 3.4Å; Q334-K336 VanDerWaalsContact C-N 3.28Å; Q334-K336 PolarHBondContact O-N 3.44Å; Q334-I337 PolarHBondContact O-N 2.92Å; Q334-R338 WeakPolarHBondContact O-CB 3.31Å; Q334-R338 WeakPolarHBondContact O-CG 3.47Å; Q334-R338 PolarHBondContact O-N 3.46Å
335Q69.7Low70.2Confident114 Ų114118.9 Ų118.953%0.53360%0.597SS.*Hα-helixtrans-69.1-29179.1-167.1173.90.400112.3K331 K332 E333 Q339K331-Q335 VanDerWaalsContact O-CB 3.31Å; K331-Q335 WeakPolarHBondContact O-CB 3.49Å; K331-Q335 PolarHBondContact O-N 3.31Å; K332-Q335 PolarHBondContact O-N 2.97Å; E333-Q335 VanDerWaalsContact C-N 3.28Å; E333-Q335 PolarHBondContact O-N 3.27Å; Q335-Q339 WeakPolarHBondContact O-CG 3.42Å; Q335-Q339 PolarHBondContact O-N 3.47Å; Q335-Q339 VanDerWaalsContact O-N 3.17Å; Q335-Q339 PolarHBondContact O-NE2 2.92Å; Q335-Q339 VanDerWaalsContact O-NE2 3.11Å
336K76.8Confident68Low122 Ų122121 Ų12153%0.5361%0.614SS.*Hα-helixtrans-72-44.6171.8-171.5-175.9174.3-1630111.1K332 E333 Q334 R338 Q339 T340K332-K336 WeakPolarHBondContact O-CB 3.37Å; K332-K336 PolarHBondContact O-N 2.72Å; E333-K336 CarbonylContact O-C 3.48Å; E333-K336 WeakPolarHBondContact O-CB 3.3Å; E333-K336 PolarHBondContact O-N 3.44Å; E333-K336 VanDerWaalsContact O-N 3.08Å; Q334-K336 VanDerWaalsContact C-N 3.28Å; Q334-K336 PolarHBondContact O-N 3.44Å; K336-R338 VanDerWaalsContact C-N 3.32Å; K336-R338 PolarHBondContact O-N 2.88Å; K336-Q339 CarbonylContact O-C 3.6Å; K336-Q339 PolarHBondContact O-N 2.89Å; K336-Q339 VanDerWaalsContact O-N 3.08Å; K336-T340 PolarHBondContact O-N 3.36Å; K336-T340 PolarHBondContact O-OG1 2.95Å; K336-T340 VanDerWaalsContact O-OG1 3.13Å
337I72.8Confident65.6Low94 Ų94120.8 Ų120.848%0.48263%0.626SS.*Hα-helixtrans-59.7-42.3174.8-66.9164.8000110.8E333 Q334 Q339 T340 A341E333-I337 HydrophobicContact CG-CD1 4.17Å; E333-I337 VanDerWaalsContact O-CG1 3.32Å; E333-I337 WeakPolarHBondContact O-CG1 2.93Å; E333-I337 PolarHBondContact O-N 3.39Å; Q334-I337 PolarHBondContact O-N 2.92Å; I337-Q339 VanDerWaalsContact C-N 3.32Å; I337-Q339 PolarHBondContact O-N 3.48Å; I337-T340 VanDerWaalsContact CA-OG1 3.31Å; I337-T340 WeakPolarHBondContact CA-OG1 3.39Å; I337-T340 PolarHBondContact O-N 2.91Å; I337-T340 PolarHBondContact O-OG1 3.28Å; I337-A341 VanDerWaalsContact O-CB 3.28Å; I337-A341 WeakPolarHBondContact O-CB 3.48Å; I337-A341 PolarHBondContact O-N 2.95Å
338R64.8Low63.4Low180 Ų180120.1 Ų120.168%0.67964%0.638SS**Hα-helixtrans-63.5-35.6174.1-75.8-178.3178.4-169.6-1112.9Q334 K336 A342Q334-R338 WeakPolarHBondContact O-CB 3.31Å; Q334-R338 WeakPolarHBondContact O-CG 3.47Å; Q334-R338 PolarHBondContact O-N 3.46Å; K336-R338 VanDerWaalsContact C-N 3.32Å; K336-R338 PolarHBondContact O-N 2.88Å; R338-A342 WeakPolarHBondContact O-CB 3.49Å; R338-A342 PolarHBondContact O-N 3.31Å
339Q63Low61.4Low120 Ų120119.4 Ų119.456%0.56165%0.647SS**Hα-helixtrans-75-32.7176.1-78.817267.700112.9Q335 K336 I337Q335-Q339 WeakPolarHBondContact O-CG 3.42Å; Q335-Q339 PolarHBondContact O-N 3.47Å; Q335-Q339 VanDerWaalsContact O-N 3.17Å; Q335-Q339 PolarHBondContact O-NE2 2.92Å; Q335-Q339 VanDerWaalsContact O-NE2 3.11Å; K336-Q339 CarbonylContact O-C 3.6Å; K336-Q339 PolarHBondContact O-N 2.89Å; K336-Q339 VanDerWaalsContact O-N 3.08Å; I337-Q339 VanDerWaalsContact C-N 3.32Å; I337-Q339 PolarHBondContact O-N 3.48Å
340T57.4Low59.5Low81 Ų81121.9 Ų121.950%0.49766%0.658SS.*Hα-helixtrans-76.3-35.7174.749.20000112.1K336 I337 A342 L343 E344K336-T340 PolarHBondContact O-N 3.36Å; K336-T340 PolarHBondContact O-OG1 2.95Å; K336-T340 VanDerWaalsContact O-OG1 3.13Å; I337-T340 VanDerWaalsContact CA-OG1 3.31Å; I337-T340 WeakPolarHBondContact CA-OG1 3.39Å; I337-T340 PolarHBondContact O-N 2.91Å; I337-T340 PolarHBondContact O-OG1 3.28Å; T340-A342 VanDerWaalsContact C-N 3.29Å; T340-A342 PolarHBondContact O-N 3.41Å; T340-L343 PolarHBondContact O-N 3.23Å; T340-L343 VanDerWaalsContact O-N 3.14Å; T340-E344 PolarHBondContact O-N 3.07Å
341A55.3Low57.3Low69 Ų69123 Ų12357%0.5767%0.67SS**Hα-helixtrans-67.7-27.8174.600000112.8I337 L343I337-A341 VanDerWaalsContact O-CB 3.28Å; I337-A341 WeakPolarHBondContact O-CB 3.48Å; I337-A341 PolarHBondContact O-N 2.95Å; A341-L343 PolarHBondContact O-N 3.42Å
342A52Low55.8Low89 Ų89122 Ų12274%0.73668%0.678SS**THydrogen-bonded Turntrans-76.7-3.8173.300000114.1R338 T340R338-A342 WeakPolarHBondContact O-CB 3.49Å; R338-A342 PolarHBondContact O-N 3.31Å; T340-A342 VanDerWaalsContact C-N 3.29Å; T340-A342 PolarHBondContact O-N 3.41Å
343L53.8Low53.7Low152 Ų152119.3 Ų119.380%0.79668%0.683SS**THydrogen-bonded Turntrans-112.5-6.4-179.3-106.9147.5000113.4T340 A341T340-L343 PolarHBondContact O-N 3.23Å; T340-L343 VanDerWaalsContact O-N 3.14Å; A341-L343 PolarHBondContact O-N 3.42Å
344E43.4Very low51.9Low177 Ų177120.2 Ų120.283%0.82770%0.697SS**  trans-115.387.8171.7-79.1-152.9146.900111.3T340T340-E344 PolarHBondContact O-N 3.07Å
345E39.6Very low50Low183 Ų183121 Ų12186%0.85571%0.71SS**  trans-117.1127.7149.3-158.6-176.8-163.700106.4
346P41.2Very low49Very low120 Ų120119.7 Ų119.778%0.77972%0.718SS**  trans-89.3149.9-170.334.6-32.3000112.3
347P39.6Very low46.9Very low126 Ų126121 Ų12182%0.81873%0.731SS**  trans-120.8151.7131.534.1-26.5000111.7
348A34.7Very low45.8Very low106 Ų106122.9 Ų122.988%0.87675%0.753SS**  trans-56.5150.3-171.100000116
349S37.3Very low44.8Very low110 Ų110122.3 Ų122.377%0.76976%0.758SS**  trans-75.3171.9-178.377.10000114.3
350P50.8Low44.2Very low110 Ų110122.1 Ų122.171%0.71476%0.759SS**  -144.4145.354.332.5-9.1000119.7
351T34.5Very low44.7Very low132 Ų132121.5 Ų121.581%0.8176%0.758SS**  trans34.1157.8143.611.80000123.2
352P46.3Very low45.1Very low119 Ų119122.2 Ų122.277%0.77376%0.764SS**  cis-133.7174.54.538.1-17000117.3
353A36.2Very low45.6Very low90 Ų90125.4 Ų125.474%0.74476%0.764SS**  trans-65.9164.4-179.400000114.2
354P45.9Very low46.3Very low112 Ų112124.1 Ų124.173%0.72775%0.754SS**  -149.3159.282.542.5-24.9000117.2
355T34Very low47.5Very low136 Ų136121.4 Ų121.483%0.83474%0.739SS**  trans64131.8146.626.90000123.5
356A48.7Very low49.2Very low85 Ų85119.5 Ų119.570%0.70273%0.728SS**  trans-30.7136.6164.900000117.4
357N33.4Very low51Low151 Ų151119.5 Ų119.581%0.80772%0.716SS**  trans-167.8135131.3-87.9-27000110.8E359N357-E359 PolarHBondContact O-N 3.06Å
358S50.5Low52.5Low133 Ų133119.2 Ų119.293%0.9371%0.707SS**  trans-67.895.7168-70.50000109.9
359E42.2Very low54.5Low168 Ų168120.2 Ų120.279%0.78569%0.693SS**  trans-126.4114.2164.8-74.5-170.3149.300109N357 S361N357-E359 PolarHBondContact O-N 3.06Å; E359-S361 PolarHBondContact O-N 2.9Å
360I51.6Low56.7Low115 Ų115122.5 Ų122.559%0.5969%0.689SS**  trans-39.9107.7164.137.3163.4000109.6A362 K365I360-A362 PolarHBondContact O-N 3.28Å; I360-K365 HydrophobicContact CD1-CD 4.07Å; I360-K365 HydrophobicContact CD1-CG 4.34Å
361S67.3Low58.1Low69 Ų69124.7 Ų124.748%0.48368%0.683SS.*  trans-50.5137.8-177.9173.30000109.6E359 E363 E364 K365E359-S361 PolarHBondContact O-N 2.9Å; S361-E363 PolarHBondContact O-N 3.5Å; S361-E364 PolarHBondContact O-N 2.81Å; S361-K365 PolarHBondContact O-N 3.25Å
362A64.4Low60.5Low83 Ų83125.1 Ų125.169%0.68667%0.674SS**Hα-helixtrans-50.5-26.4-177.100000112.6I360 K366I360-A362 PolarHBondContact O-N 3.28Å; A362-K366 PolarHBondContact O-N 2.92Å; A362-K366 VanDerWaalsContact O-N 3.13Å
363E63Low62.4Low156 Ų156125.7 Ų125.773%0.72967%0.666SS**Hα-helixtrans-72.2-40.8176-165150.7-151.600113.8S361 K366 K367S361-E363 PolarHBondContact O-N 3.5Å; E363-K366 PolarHBondContact O-N 2.9Å; E363-K367 WeakPolarHBondContact O-CB 3.31Å; E363-K367 PolarHBondContact O-N 2.87Å
364E66.8Low64.5Low125 Ų125126.5 Ų126.558%0.58466%0.657SS**Hα-helixtrans-67.1-38.1173.1-75-157.7120.900111.8S361 K366 K367 L368S361-E364 PolarHBondContact O-N 2.81Å; E364-K366 VanDerWaalsContact C-N 3.32Å; E364-K366 PolarHBondContact O-N 3.49Å; E364-K367 PolarHBondContact O-N 2.78Å; E364-L368 WeakPolarHBondContact O-CB 3.4Å; E364-L368 PolarHBondContact O-N 3.48Å
365K69.5Low66.3Low121 Ų121123.8 Ų123.853%0.52664%0.644SS.*Hα-helixtrans-64.1-39.6176.3-155.3173.7-173.7173.60111.2I360 S361 L368 Q369I360-K365 HydrophobicContact CD1-CD 4.07Å; I360-K365 HydrophobicContact CD1-CG 4.34Å; S361-K365 PolarHBondContact O-N 3.25Å; K365-L368 PolarHBondContact O-N 3.28Å; K365-Q369 WeakPolarHBondContact O-CB 3.25Å; K365-Q369 WeakPolarHBondContact O-CG 3.49Å; K365-Q369 PolarHBondContact O-N 2.81Å
366K75.5Confident68.4Low142 Ų142121.2 Ų121.262%0.61763%0.625SS**Hα-helixtrans-64.8-41.7172.8-122.7175-178.8174.80111.8A362 E363 E364 Q369 K370A362-K366 PolarHBondContact O-N 2.92Å; A362-K366 VanDerWaalsContact O-N 3.13Å; E363-K366 PolarHBondContact O-N 2.9Å; E364-K366 VanDerWaalsContact C-N 3.32Å; E364-K366 PolarHBondContact O-N 3.49Å; K366-Q369 PolarHBondContact O-N 3.28Å; K366-K370 WeakPolarHBondContact O-CG 3.41Å; K366-K370 PolarHBondContact O-N 3.39Å
367K78.2Confident69.9Low121 Ų121123.4 Ų123.453%0.52662%0.619SS.*Hα-helixtrans-66.1-40.5178.2-166.4173.7-174.9174.90111.7E363 E364 K370 R371E363-K367 WeakPolarHBondContact O-CB 3.31Å; E363-K367 PolarHBondContact O-N 2.87Å; E364-K367 PolarHBondContact O-N 2.78Å; K367-K370 PolarHBondContact O-N 3.49Å; K367-R371 WeakPolarHBondContact O-CG 3.39Å; K367-R371 PolarHBondContact O-N 2.87Å
368L72.8Confident71.8Confident120 Ų120120.6 Ų120.663%0.62860%0.604SS**Hα-helixtrans-67.8-39.2176.4-167.266000111.6E364 K365 R371 K372E364-L368 WeakPolarHBondContact O-CB 3.4Å; E364-L368 PolarHBondContact O-N 3.48Å; K365-L368 PolarHBondContact O-N 3.28Å; L368-R371 PolarHBondContact O-N 2.96Å; L368-K372 WeakPolarHBondContact O-CB 3.49Å; L368-K372 PolarHBondContact O-N 3.46Å
369Q76.5Confident73.2Confident127 Ų127120.6 Ų120.659%0.59359%0.587SS**Hα-helixtrans-63.4-42.2174.1-78.9-175.7-10.400112.5K365 K366 K372 H373K365-Q369 WeakPolarHBondContact O-CB 3.25Å; K365-Q369 WeakPolarHBondContact O-CG 3.49Å; K365-Q369 PolarHBondContact O-N 2.81Å; K366-Q369 PolarHBondContact O-N 3.28Å; Q369-K372 PolarHBondContact O-N 3.42Å; Q369-H373 WeakPolarHBondContact O-CB 3.28Å; Q369-H373 PolarHBondContact O-N 2.96Å
370K82.7Confident74.7Confident157 Ų157118.7 Ų118.768%0.68358%0.578SS**Hα-helixtrans-62.4-42.6174.5-72.8-179.5179.4-175.80111.9K366 K367 H373 L374K366-K370 WeakPolarHBondContact O-CG 3.41Å; K366-K370 PolarHBondContact O-N 3.39Å; K367-K370 PolarHBondContact O-N 3.49Å; K370-H373 PolarHBondContact O-N 3.2Å; K370-L374 WeakPolarHBondContact O-CB 3.46Å; K370-L374 PolarHBondContact O-N 3.44Å
371R80.9Confident75.4Confident157 Ų157119.5 Ų119.559%0.59258%0.579SS**Hα-helixtrans-64.5-42.4176.4-75.8176.1174.3172.3-3.6112.2K367 L368 L374 A375K367-R371 WeakPolarHBondContact O-CG 3.39Å; K367-R371 PolarHBondContact O-N 2.87Å; L368-R371 PolarHBondContact O-N 2.96Å; R371-L374 PolarHBondContact O-N 3.4Å; R371-A375 WeakPolarHBondContact O-CB 3.4Å; R371-A375 PolarHBondContact O-N 3.41Å
372K84.8Confident75.3Confident140 Ų140121.5 Ų121.561%0.60959%0.588SS**Hα-helixtrans-62.1-46.3176.6-172.7179.4176.9-177.30111.4L368 Q369 L374 A375 D376L368-K372 WeakPolarHBondContact O-CB 3.49Å; L368-K372 PolarHBondContact O-N 3.46Å; Q369-K372 PolarHBondContact O-N 3.42Å; K372-L374 VanDerWaalsContact C-N 3.33Å; K372-L374 PolarHBondContact O-N 3.42Å; K372-A375 PolarHBondContact O-N 3.45Å; K372-D376 PolarHBondContact O-N 2.91Å
373H86.3Confident75.1Confident131 Ų131123.4 Ų123.461%0.60659%0.585SS**Hα-helixtrans-62.7-38.9178.2-171.770.9000112.8Q369 K370 D376 K377Q369-H373 WeakPolarHBondContact O-CB 3.28Å; Q369-H373 PolarHBondContact O-N 2.96Å; K370-H373 PolarHBondContact O-N 3.2Å; H373-D376 PolarHBondContact O-N 3.36Å; H373-K377 WeakPolarHBondContact O-CB 3.36Å; H373-K377 PolarHBondContact O-N 3.35Å
374L80.7Confident74.6Confident108 Ų108124 Ų12457%0.56559%0.586SS**Hα-helixtrans-66.4-40.9176.1-173.464.1000112K370 R371 K372 K377 L378K370-L374 WeakPolarHBondContact O-CB 3.46Å; K370-L374 PolarHBondContact O-N 3.44Å; R371-L374 PolarHBondContact O-N 3.4Å; K372-L374 VanDerWaalsContact C-N 3.33Å; K372-L374 PolarHBondContact O-N 3.42Å; L374-K377 PolarHBondContact O-N 3.02Å; L374-L378 HydrophobicContact CG-CD1 4.22Å; L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 WeakPolarHBondContact O-CG 3.5Å; L374-L378 PolarHBondContact O-N 3.29Å
375A81.9Confident73.5Confident54 Ų54130.1 Ų130.145%0.44661%0.61SS.*Hα-helixtrans-65-41.6176.700000112.1R371 K372 L378 K379R371-A375 WeakPolarHBondContact O-CB 3.4Å; R371-A375 PolarHBondContact O-N 3.41Å; K372-A375 PolarHBondContact O-N 3.45Å; A375-L378 PolarHBondContact O-N 3.04Å; A375-K379 VanDerWaalsContact O-CB 3.3Å; A375-K379 WeakPolarHBondContact O-CB 3.45Å; A375-K379 PolarHBondContact O-N 2.91Å
376D79.6Confident73.7Confident82 Ų82130.6 Ų130.644%0.43962%0.615SS.*Hα-helixtrans-65.9-38.8177.1-72.3-28.8000111.6K372 H373 K379 E380K372-D376 PolarHBondContact O-N 2.91Å; H373-D376 PolarHBondContact O-N 3.36Å; D376-K379 PolarHBondContact O-N 3.33Å; D376-E380 PolarHBondContact O-N 3.5Å
377K80.4Confident73.6Confident132 Ų132130 Ų13057%0.57461%0.614SS**Hα-helixtrans-67-42.4177-165.3173.1-176.7-179.60112.5H373 L374 K379 E380 E381H373-K377 WeakPolarHBondContact O-CB 3.36Å; H373-K377 PolarHBondContact O-N 3.35Å; L374-K377 PolarHBondContact O-N 3.02Å; K377-K379 VanDerWaalsContact C-N 3.31Å; K377-K379 PolarHBondContact O-N 2.97Å; K377-E380 PolarHBondContact O-N 3.42Å; K377-E381 PolarHBondContact O-N 3.16Å; K377-E381 VanDerWaalsContact O-N 3.07Å
378L72.6Confident73.4Confident92 Ų92130.5 Ų130.548%0.48262%0.619SS.*Hα-helixtrans-64.3-37.8173.6-76.2166.6000111.6L374 A375 E381 V382L374-L378 HydrophobicContact CG-CD1 4.22Å; L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 WeakPolarHBondContact O-CG 3.5Å; L374-L378 PolarHBondContact O-N 3.29Å; A375-L378 PolarHBondContact O-N 3.04Å; L378-E381 PolarHBondContact O-N 3.35Å; L378-V382 WeakPolarHBondContact O-CB 3.48Å; L378-V382 VanDerWaalsContact O-CG2 3.23Å; L378-V382 WeakPolarHBondContact O-CG2 3.46Å; L378-V382 PolarHBondContact O-N 3.01Å
379K79.8Confident73.4Confident133 Ų133131.1 Ų131.158%0.57862%0.619SS**Hα-helixtrans-65.4-40.5176.7-172.9179.8176.3-1730112A375 D376 K377 I383A375-K379 VanDerWaalsContact O-CB 3.3Å; A375-K379 WeakPolarHBondContact O-CB 3.45Å; A375-K379 PolarHBondContact O-N 2.91Å; D376-K379 PolarHBondContact O-N 3.33Å; K377-K379 VanDerWaalsContact C-N 3.31Å; K377-K379 PolarHBondContact O-N 2.97Å; K379-I383 HydrophobicContact CG-CD1 3.72Å; K379-I383 WeakPolarHBondContact O-CB 3.45Å; K379-I383 WeakPolarHBondContact O-CD1 3.49Å; K379-I383 VanDerWaalsContact O-CG1 3.25Å; K379-I383 WeakPolarHBondContact O-CG1 3.49Å; K379-I383 PolarHBondContact O-N 3.11Å; K379-I383 VanDerWaalsContact O-N 3.14Å
380E74Confident73.2Confident127 Ų127131.4 Ų131.459%0.59362%0.62SS**Hα-helixtrans-65.8-40.1173.6-80.9-155.6139.600112.7D376 K377 V382 I383 K384D376-E380 PolarHBondContact O-N 3.5Å; K377-E380 PolarHBondContact O-N 3.42Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 PolarHBondContact O-N 3.07Å; E380-I383 PolarHBondContact O-N 3.39Å; E380-K384 WeakPolarHBondContact O-CB 3.49Å; E380-K384 PolarHBondContact O-N 3.24Å; E380-K384 VanDerWaalsContact O-N 3.08Å
381E66.6Low72.6Confident132 Ų132129.7 Ų129.762%0.61762%0.616SS**Hα-helixtrans-67.1-33.4178.6-112-175.8161.300113.2K377 L378K377-E381 PolarHBondContact O-N 3.16Å; K377-E381 VanDerWaalsContact O-N 3.07Å; L378-E381 PolarHBondContact O-N 3.35Å
382V64.4Low72Confident111 Ų111127.7 Ų127.767%0.67362%0.618SS**Hα-helixtrans-79.2-30179172.20000112L378 E380L378-V382 WeakPolarHBondContact O-CB 3.48Å; L378-V382 VanDerWaalsContact O-CG2 3.23Å; L378-V382 WeakPolarHBondContact O-CG2 3.46Å; L378-V382 PolarHBondContact O-N 3.01Å; E380-V382 VanDerWaalsContact C-N 3.34Å; E380-V382 PolarHBondContact O-N 3.07Å
383I59.7Low71Confident123 Ų123126.8 Ų126.863%0.63162%0.619SS**Hα-helixtrans-85.5-20.9179.5-65.7170.7000112.3K379 E380K379-I383 HydrophobicContact CG-CD1 3.72Å; K379-I383 WeakPolarHBondContact O-CB 3.45Å; K379-I383 WeakPolarHBondContact O-CD1 3.49Å; K379-I383 VanDerWaalsContact O-CG1 3.25Å; K379-I383 WeakPolarHBondContact O-CG1 3.49Å; K379-I383 PolarHBondContact O-N 3.11Å; K379-I383 VanDerWaalsContact O-N 3.14Å; E380-I383 PolarHBondContact O-N 3.39Å
384K52.9Low69.8Low170 Ų170126.4 Ų126.474%0.73962%0.62SS**THydrogen-bonded Turntrans-91.211.9176.8-87.1179.9175.21660115.1E380E380-K384 WeakPolarHBondContact O-CB 3.49Å; E380-K384 PolarHBondContact O-N 3.24Å; E380-K384 VanDerWaalsContact O-N 3.08Å
385K44.5Very low68.8Low253 Ų253128.1 Ų128.1100%1.163%0.625SS**  trans-100.70173.3-92.1-173174.5177.60112.9

Retrieved 385 of 385 residues in 152.3 ms (Link to these results)

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