A0A3Q0KUY3_SCHMA Loading...

Calmodulin-related

AlphaFold DB , UniProt , Accession A0A3Q0KUY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 675 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
1M63.1Low85Confident190 Ų19087.2 Ų87.294%0.93644%0.435SS*.  01370-78.4174.5166.900107.7F3M1-F3 HydrophobicContact CB-CE1 4.34Å; M1-F3 HydrophobicContact CB-CZ 4.29Å; M1-F3 PolarHBondContact O-N 3.32Å; M1-F3 HydrophobicContact SD-CE1 4.49Å
2D79.4Confident85.3Confident76 Ų7692.4 Ų92.441%0.40646%0.464SS..  trans-85.196.9168.5-179.913.5000108.5K4 Q5D2-K4 PolarHBondContact O-N 3.39Å; D2-K4 VanDerWaalsContact OD1-CB 3.31Å; D2-K4 WeakPolarHBondContact OD1-CB 3.46Å; D2-K4 WeakPolarHBondContact OD1-CG 3.33Å; D2-K4 PolarHBondContact OD1-N 3.2Å; D2-Q5 PolarHBondContact OD2-NE2 2.94Å
3F81.5Confident85.7Confident68 Ų6888 Ų8830%0.29845%0.447SS..Hα-helixtrans-61.8-26.3-178.4-67-71.6000112M1 Q5 F6 R7 F29 P30 Y68M1-F3 HydrophobicContact CB-CE1 4.34Å; M1-F3 HydrophobicContact CB-CZ 4.29Å; M1-F3 PolarHBondContact O-N 3.32Å; M1-F3 HydrophobicContact SD-CE1 4.49Å; F3-Q5 PolarHBondContact O-N 3.28Å; F3-F6 PolarHBondContact O-N 3.45Å; F3-F6 VanDerWaalsContact O-N 3.09Å; F3-R7 PolarHBondContact O-N 3.05Å; F3-F29 AromaticContact CE1-CD1 3.98Å; F3-F29 HydrophobicContact CE1-CD1 3.98Å; F3-F29 HydrophobicContact CE2-CD1 4.11Å; F3-F29 AromaticContact CE2-CE1 3.91Å; F3-F29 HydrophobicContact CE2-CE1 3.91Å; F3-F29 AromaticContact CZ-CD1 3.53Å; F3-F29 HydrophobicContact CZ-CD1 3.53Å; F3-F29 AromaticContact CZ-CE1 3.64Å; F3-F29 HydrophobicContact CZ-CE1 3.64Å; F3-P30 HydrophobicContact CB-CG 4.31Å; F3-P30 HydrophobicContact CD1-CG 3.89Å; F3-P30 HydrophobicContact CE1-CG 4.45Å; F3-P30 HydrophobicContact CG-CG 4.13Å; F3-Y68 HydrophobicContact CB-CD1 3.97Å; F3-Y68 VanDerWaalsContact O-CD1 3.22Å; F3-Y68 WeakPolarHBondContact O-CD1 3.4Å
4K87.9Confident86.2Confident71 Ų7187.3 Ų87.331%0.30945%0.445SS..Hα-helixtrans-57.2-36.1-175.6-58-177.3-168.4-159.10112.5D2 R7 Y68 G69 K70D2-K4 PolarHBondContact O-N 3.39Å; D2-K4 VanDerWaalsContact OD1-CB 3.31Å; D2-K4 WeakPolarHBondContact OD1-CB 3.46Å; D2-K4 WeakPolarHBondContact OD1-CG 3.33Å; D2-K4 PolarHBondContact OD1-N 3.2Å; K4-R7 WeakPolarHBondContact O-CB 3.24Å; K4-R7 PolarHBondContact O-N 3.47Å; K4-Y68 WeakPolarHBondContact CG-O 3.46Å; K4-G69 WeakPolarHBondContact CE-O 3.08Å; K4-G69 PolarHBondContact NZ-O 2.93Å; K4-K70 HydrophobicContact CB-CG 4.28Å; K4-K70 HydrophobicContact CD-CG 4.33Å; K4-K70 HydrophobicContact CG-CG 4.06Å; K4-K70 WeakPolarHBondContact O-CE 3.5Å
5Q86.3Confident86.8Confident122 Ų12281.5 Ų81.557%0.5742%0.415SS*.Hα-helixtrans-68-42.5179.3-63.2174.42700111.8D2 F3 R7 D8 T9D2-Q5 PolarHBondContact OD2-NE2 2.94Å; F3-Q5 PolarHBondContact O-N 3.28Å; Q5-R7 PolarHBondContact O-N 3.14Å; Q5-D8 PolarHBondContact O-N 3.22Å; Q5-T9 PolarHBondContact O-N 3.42Å; Q5-T9 VanDerWaalsContact O-N 3.09Å
6F88.3Confident87.3Confident52 Ų5278.2 Ų78.223%0.22840%0.4CS..Hα-helixtrans-65.2-21.9177.4-65.7-77.9000113.4F3 D8 A10 H27F3-F6 PolarHBondContact O-N 3.45Å; F3-F6 VanDerWaalsContact O-N 3.09Å; F6-D8 VanDerWaalsContact C-N 3.29Å; F6-A10 WeakPolarHBondContact O-CA 3.26Å; F6-A10 PolarHBondContact O-N 3.03Å; F6-A10 VanDerWaalsContact O-N 3.13Å; F6-H27 PolarHBondContact O-CE1 3.31Å
7R91.7Very high87.8Confident41 Ų4173.6 Ų73.616%0.15538%0.377CS..Hα-helixtrans-66.4-31.8172.3176.656.4-172.793.18.8112.6F3 K4 Q5 D65 Y68 K70F3-R7 PolarHBondContact O-N 3.05Å; K4-R7 WeakPolarHBondContact O-CB 3.24Å; K4-R7 PolarHBondContact O-N 3.47Å; Q5-R7 PolarHBondContact O-N 3.14Å; R7-D65 IonicContact CZ-OD1 3.9Å; R7-D65 IonicContact NE-OD1 2.7Å; R7-D65 PolarHBondContact NE-OD1 3.15Å; R7-D65 IonicContact NH2-OD1 3.91Å; R7-D65 PolarHBondContact NH2-OD1 3.2Å; R7-Y68 HydrophobicContact CB-CD1 3.58Å; R7-Y68 HydrophobicContact CB-CD2 4.4Å; R7-Y68 HydrophobicContact CB-CE1 3.7Å; R7-Y68 HydrophobicContact CB-CG 3.88Å; R7-Y68 HydrophobicContact CG-CD1 4.43Å; R7-Y68 HydrophobicContact CG-CD2 4.43Å; R7-Y68 HydrophobicContact CG-CG 4.28Å; R7-K70 HydrophobicContact CG-CD 4.25Å
8D90.3Very high88.2Confident113 Ų11374.6 Ų74.660%0.60438%0.376SS*.Hα-helixtrans-92.5-40.6-175.7-64.8-43.3000112.2Q5 F6 K70Q5-D8 PolarHBondContact O-N 3.22Å; F6-D8 VanDerWaalsContact C-N 3.29Å; D8-K70 IonicContact OD1-NZ 2.7Å; D8-K70 PolarHBondContact OD1-NZ 2.96Å; D8-K70 WeakPolarHBondContact OD2-CE 3.36Å; D8-K70 IonicContact OD2-NZ 3.11Å; D8-K70 PolarHBondContact OD2-NZ 3.18Å
9T89.2Confident88.6Confident75 Ų7570.6 Ų70.646%0.4636%0.356SS..Hα-helixtrans-77.9-25.617865.70000113.1Q5 E11Q5-T9 PolarHBondContact O-N 3.42Å; Q5-T9 VanDerWaalsContact O-N 3.09Å; T9-E11 PolarHBondContact O-N 3.16Å; T9-E11 VanDerWaalsContact O-N 3.11Å; T9-E11 PolarHBondContact OG1-N 2.87Å
10A88.3Confident88.5Confident30 Ų3070.8 Ų70.825%0.24836%0.358CS..  trans53.620.1-168.600000114.2F6 K25F6-A10 WeakPolarHBondContact O-CA 3.26Å; F6-A10 PolarHBondContact O-N 3.03Å; F6-A10 VanDerWaalsContact O-N 3.13Å; A10-K25 HydrophobicContact CB-CB 3.8Å; A10-K25 HydrophobicContact CB-CD 4.32Å
11E88.6Confident88.4Confident121 Ų12175.6 Ų75.657%0.56538%0.384SS*.THydrogen-bonded Turntrans-68.1136175.1-74.9173.1175.400110.7T9 S13 H27T9-E11 PolarHBondContact O-N 3.16Å; T9-E11 VanDerWaalsContact O-N 3.11Å; T9-E11 PolarHBondContact OG1-N 2.87Å; E11-S13 PolarHBondContact O-N 3.24Å; E11-H27 PolarHBondContact O-CE1 3.24Å; E11-H27 PolarHBondContact O-NE2 3.27Å
12L88.5Confident89.9Confident150 Ų15071.1 Ų71.179%0.78536%0.361SS*.THydrogen-bonded Turntrans63.920.7-179.5-50.3175.8000115.2D14 H27L12-D14 PolarHBondContact O-N 2.95Å; L12-D14 VanDerWaalsContact O-N 3.16Å; L12-H27 VanDerWaalsContact C-NE2 3.3Å; L12-H27 PolarHBondContact O-CD2 3.39Å; L12-H27 PolarHBondContact O-NE2 2.92Å
13S91.6Very high90.6Very high35 Ų3576.2 Ų76.225%0.24538%0.375CS..  trans-56.2116.3176.366.80000112.4E11 L26 H27E11-S13 PolarHBondContact O-N 3.24Å; S13-L26 CarbonylContact C-O 3.58Å; S13-L26 WeakPolarHBondContact CA-O 3.01Å; S13-L26 WeakPolarHBondContact CB-O 3.39Å; S13-H27 WeakPolarHBondContact CA-NE2 3.21Å; S13-H27 PolarHBondContact N-NE2 2.85Å
14D92.5Very high91.2Very high78 Ų7873.7 Ų73.742%0.41736%0.364SS..  trans-101.13.4179.771.9-30.2000113.4L12 L26 H27 K28L12-D14 PolarHBondContact O-N 2.95Å; L12-D14 VanDerWaalsContact O-N 3.16Å; D14-L26 PolarHBondContact N-O 3.49Å; D14-H27 WeakPolarHBondContact OD1-CA 3.36Å; D14-K28 WeakPolarHBondContact O-CE 3.2Å; D14-K28 PolarHBondContact OD1-N 2.92Å; D14-K28 WeakPolarHBondContact OD2-CB 3.47Å; D14-K28 VanDerWaalsContact OD2-CD 3.32Å; D14-K28 WeakPolarHBondContact OD2-CD 3.33Å; D14-K28 VanDerWaalsContact OD2-CG 3.28Å; D14-K28 WeakPolarHBondContact OD2-CG 3.42Å
15F94.4Very high91.6Very high1 Ų175.5 Ų75.50%0.00437%0.372CS..EExtended strand (participates in β ladder)trans-143.4143176.9-167.9-128.2000112V17 L26 K28 L31 F38 A42 N45 P46 C48F15-V17 HydrophobicContact CD1-CG2 3.72Å; F15-V17 HydrophobicContact CE1-CG2 3.32Å; F15-V17 HydrophobicContact CZ-CG2 4.1Å; F15-L26 PolarHBondContact N-O 3.26Å; F15-L26 VanDerWaalsContact N-O 3.12Å; F15-L26 PolarHBondContact O-N 3.34Å; F15-K28 HydrophobicContact CB-CG 3.81Å; F15-K28 HydrophobicContact CG-CG 4.31Å; F15-L31 HydrophobicContact CD1-CD1 3.6Å; F15-L31 HydrophobicContact CE1-CD1 3.94Å; F15-F38 AromaticContact CE1-CD1 3.64Å; F15-F38 HydrophobicContact CE1-CD1 3.64Å; F15-F38 HydrophobicContact CE1-CE1 4.01Å; F15-F38 HydrophobicContact CE1-CG 4.44Å; F15-F38 HydrophobicContact CZ-CD1 4.07Å; F15-A42 HydrophobicContact CD1-CB 4.34Å; F15-A42 HydrophobicContact CD2-CB 3.56Å; F15-A42 HydrophobicContact CE1-CB 4.07Å; F15-A42 HydrophobicContact CE2-CB 3.28Å; F15-A42 HydrophobicContact CG-CB 4.1Å; F15-A42 HydrophobicContact CZ-CB 3.54Å; F15-N45 WeakPolarHBondContact CE2-O 3.31Å; F15-P46 WeakPolarHBondContact CA-O 3.41Å; F15-P46 WeakPolarHBondContact CD2-O 3.46Å; F15-C48 HydrophobicContact CE1-CB 4.35Å; F15-C48 HydrophobicContact CE2-CB 3.99Å; F15-C48 HydrophobicContact CZ-CB 3.47Å; F15-C48 VanDerWaalsContact CZ-CB 3.47Å
16T95Very high92Very high28 Ų2869.7 Ų69.717%0.17235%0.345CS..EExtended strand (participates in β ladder)trans-123.9127.1173.2-570000110.4Y18 F24 P46 V47 C48T16-Y18 HydrophobicContact CG2-CD2 4.05Å; T16-Y18 HydrophobicContact CG2-CE2 3.55Å; T16-F24 WeakPolarHBondContact CA-O 3.4Å; T16-P46 PolarHBondContact N-O 2.78Å; T16-V47 CarbonylContact O-C 3.59Å; T16-V47 WeakPolarHBondContact O-CA 2.94Å; T16-C48 PolarHBondContact O-N 3.24Å
17V95.7Very high92.2Very high0 Ų068.2 Ų68.20%034%0.338CS..EExtended strand (participates in β ladder)trans-109.1128.8172.9-175.40000109.3F15 I19 F24 L26 F38 C48 I50 F60F15-V17 HydrophobicContact CD1-CG2 3.72Å; F15-V17 HydrophobicContact CE1-CG2 3.32Å; F15-V17 HydrophobicContact CZ-CG2 4.1Å; V17-I19 HydrophobicContact CG1-CD1 3.74Å; V17-I19 HydrophobicContact CG1-CG1 4.07Å; V17-F24 HydrophobicContact CB-CB 4.44Å; V17-F24 PolarHBondContact N-O 3.45Å; V17-F24 PolarHBondContact O-N 2.73Å; V17-L26 HydrophobicContact CB-CD1 4.45Å; V17-L26 HydrophobicContact CG2-CD1 4.06Å; V17-F38 HydrophobicContact CG2-CE1 3.91Å; V17-F38 HydrophobicContact CG2-CZ 4.32Å; V17-C48 CarbonylContact C-O 3.55Å; V17-C48 WeakPolarHBondContact CA-O 3.44Å; V17-I50 HydrophobicContact CG1-CD1 4.34Å; V17-I50 HydrophobicContact CG1-CG1 4.47Å; V17-F60 HydrophobicContact CB-CE1 4.03Å; V17-F60 HydrophobicContact CB-CZ 3.95Å; V17-F60 HydrophobicContact CG1-CE1 3.99Å; V17-F60 HydrophobicContact CG1-CE2 4.37Å; V17-F60 HydrophobicContact CG1-CZ 3.77Å; V17-F60 HydrophobicContact CG2-CZ 4.12Å
18Y95.8Very high92.3Very high91 Ų9168.5 Ų68.536%0.35734%0.34SS..EExtended strand (participates in β ladder)trans-100.5125.7170.4-70.7-94.5000109.3T16 E22 R23 V47 C48 Q49 I50T16-Y18 HydrophobicContact CG2-CD2 4.05Å; T16-Y18 HydrophobicContact CG2-CE2 3.55Å; Y18-E22 WeakPolarHBondContact CA-O 3.42Å; Y18-R23 HydrophobicContact CD1-CB 3.95Å; Y18-R23 HydrophobicContact CE1-CB 3.7Å; Y18-V47 HydrophobicContact CD2-CG1 3.73Å; Y18-V47 HydrophobicContact CE2-CG1 3.6Å; Y18-C48 PolarHBondContact N-O 3.06Å; Y18-Q49 WeakPolarHBondContact O-CA 3.46Å; Y18-I50 PolarHBondContact O-N 3.13Å
19I94.9Very high92.3Very high0 Ų069 Ų690%034%0.338CS..EExtended strand (participates in β ladder)trans-126.2121.4173.1-53.1-64.3000106.5V17 N21 E22 F24 I50 F53 F60V17-I19 HydrophobicContact CG1-CD1 3.74Å; V17-I19 HydrophobicContact CG1-CG1 4.07Å; I19-N21 PolarHBondContact O-N 2.85Å; I19-N21 VanDerWaalsContact O-N 3.15Å; I19-E22 PolarHBondContact N-O 3.4Å; I19-E22 PolarHBondContact O-N 3.36Å; I19-F24 HydrophobicContact CB-CE2 4.17Å; I19-F24 HydrophobicContact CG1-CD2 4.21Å; I19-F24 HydrophobicContact CG1-CE2 4.17Å; I19-I50 HydrophobicContact CD1-CB 3.76Å; I19-I50 HydrophobicContact CD1-CD1 4.03Å; I19-I50 HydrophobicContact CD1-CG1 4.08Å; I19-F53 HydrophobicContact CD1-CB 4.29Å; I19-F53 HydrophobicContact CD1-CD2 3.99Å; I19-F53 HydrophobicContact CD1-CG 4.19Å; I19-F53 HydrophobicContact CG2-CB 3.62Å; I19-F53 HydrophobicContact CG2-CG 4.16Å; I19-F60 HydrophobicContact CD1-CB 4.41Å; I19-F60 HydrophobicContact CD1-CD1 4.33Å; I19-F60 HydrophobicContact CD1-CD2 4.12Å; I19-F60 HydrophobicContact CD1-CG 4.01Å; I19-F60 HydrophobicContact CG1-CB 3.84Å; I19-F60 HydrophobicContact CG1-CD1 3.58Å; I19-F60 HydrophobicContact CG1-CD2 4.19Å; I19-F60 HydrophobicContact CG1-CE1 4.18Å; I19-F60 HydrophobicContact CG1-CG 3.57Å; I19-F60 HydrophobicContact CG2-CB 4.43Å
20D87.4Confident92.5Very high74 Ų7465.6 Ų65.640%0.39632%0.317SS..THydrogen-bonded Turntrans51.1-117.7-174.7-45.2-43000111G56 S57D20-G56 WeakPolarHBondContact OD2-CA 3.38Å; D20-S57 PolarHBondContact OD2-N 3.31Å; D20-S57 VanDerWaalsContact OD2-N 3.16Å
21N86.6Confident92.8Very high171 Ų17164.2 Ų64.291%0.91431%0.305SS*.THydrogen-bonded Turntrans-98.43.3176.6-67.4-33000113.8I19I19-N21 PolarHBondContact O-N 2.85Å; I19-N21 VanDerWaalsContact O-N 3.15Å
22E93.2Very high93Very high97 Ų9761.6 Ų61.645%0.45329%0.29SS..EExtended strand (participates in β ladder)trans-103.8147.2-176.6-74.8-176.5-13400112.9Y18 I19 F24 S57Y18-E22 WeakPolarHBondContact CA-O 3.42Å; I19-E22 PolarHBondContact N-O 3.4Å; I19-E22 PolarHBondContact O-N 3.36Å; E22-F24 HydrophobicContact CB-CE2 3.77Å; E22-F24 HydrophobicContact CB-CZ 4.32Å; E22-S57 VanDerWaalsContact OE1-CB 3.23Å; E22-S57 WeakPolarHBondContact OE1-CB 3.36Å; E22-S57 PolarHBondContact OE1-OG 2.93Å; E22-S57 WeakPolarHBondContact OE2-CB 3.47Å
23R94.4Very high93.1Very high182 Ų18258.3 Ų58.369%0.68728%0.277SS*.EExtended strand (participates in β ladder)trans-117.4124.4179.871.5-171.8-178.3-170.5-3.6110.6Y18Y18-R23 HydrophobicContact CD1-CB 3.95Å; Y18-R23 HydrophobicContact CE1-CB 3.7Å
24F95.8Very high93.3Very high15 Ų1559.3 Ų59.37%0.06628%0.277CS..EExtended strand (participates in β ladder)trans-109109.7179.4-65.3-95.5000109.2T16 V17 I19 E22 L26 F60 A61T16-F24 WeakPolarHBondContact CA-O 3.4Å; V17-F24 HydrophobicContact CB-CB 4.44Å; V17-F24 PolarHBondContact N-O 3.45Å; V17-F24 PolarHBondContact O-N 2.73Å; I19-F24 HydrophobicContact CB-CE2 4.17Å; I19-F24 HydrophobicContact CG1-CD2 4.21Å; I19-F24 HydrophobicContact CG1-CE2 4.17Å; E22-F24 HydrophobicContact CB-CE2 3.77Å; E22-F24 HydrophobicContact CB-CZ 4.32Å; F24-L26 HydrophobicContact CB-CD1 3.99Å; F24-L26 HydrophobicContact CB-CD2 4.42Å; F24-L26 HydrophobicContact CB-CG 4.01Å; F24-F60 HydrophobicContact CB-CD1 4.35Å; F24-F60 HydrophobicContact CB-CE1 3.76Å; F24-F60 AromaticContact CD1-CD1 3.86Å; F24-F60 HydrophobicContact CD1-CD1 3.86Å; F24-F60 HydrophobicContact CD1-CE1 4Å; F24-F60 AromaticContact CD2-CD1 3.55Å; F24-F60 HydrophobicContact CD2-CD1 3.55Å; F24-F60 AromaticContact CD2-CE1 3.8Å; F24-F60 HydrophobicContact CD2-CE1 3.8Å; F24-F60 HydrophobicContact CE1-CD1 4.02Å; F24-F60 AromaticContact CE2-CD1 3.73Å; F24-F60 HydrophobicContact CE2-CD1 3.73Å; F24-F60 HydrophobicContact CE2-CE1 4.44Å; F24-F60 AromaticContact CG-CD1 3.64Å; F24-F60 HydrophobicContact CG-CD1 3.64Å; F24-F60 AromaticContact CG-CE1 3.57Å; F24-F60 HydrophobicContact CG-CE1 3.57Å; F24-F60 AromaticContact CZ-CD1 3.97Å; F24-F60 HydrophobicContact CZ-CD1 3.97Å; F24-A61 HydrophobicContact CE1-CB 3.92Å; F24-A61 HydrophobicContact CZ-CB 4.4Å
25K94.8Very high93.4Very high110 Ų11055.6 Ų55.648%0.47826%0.257SS..EExtended strand (participates in β ladder)trans-81.8115.6170.3-73.5-172.4175.7-170.30108.9A10A10-K25 HydrophobicContact CB-CB 3.8Å; A10-K25 HydrophobicContact CB-CD 4.32Å
26L94.9Very high93.4Very high0 Ų059.3 Ų59.30%028%0.277CS..EExtended strand (participates in β ladder)trans-134.8176.5-169.2-60.6176.2000111.2S13 D14 F15 V17 F24 L31 F60 A64 Y68S13-L26 CarbonylContact C-O 3.58Å; S13-L26 WeakPolarHBondContact CA-O 3.01Å; S13-L26 WeakPolarHBondContact CB-O 3.39Å; D14-L26 PolarHBondContact N-O 3.49Å; F15-L26 PolarHBondContact N-O 3.26Å; F15-L26 VanDerWaalsContact N-O 3.12Å; F15-L26 PolarHBondContact O-N 3.34Å; V17-L26 HydrophobicContact CB-CD1 4.45Å; V17-L26 HydrophobicContact CG2-CD1 4.06Å; F24-L26 HydrophobicContact CB-CD1 3.99Å; F24-L26 HydrophobicContact CB-CD2 4.42Å; F24-L26 HydrophobicContact CB-CG 4.01Å; L26-L31 HydrophobicContact CB-CD1 4.19Å; L26-L31 HydrophobicContact CD1-CD1 4.12Å; L26-L31 HydrophobicContact CD1-CD2 4.4Å; L26-F60 HydrophobicContact CD1-CE1 3.87Å; L26-F60 HydrophobicContact CD1-CZ 3.8Å; L26-A64 HydrophobicContact CD1-CB 4.46Å; L26-A64 HydrophobicContact CD2-CB 4.25Å; L26-Y68 WeakPolarHBondContact CA-OH 3.31Å; L26-Y68 HydrophobicContact CD2-CE2 4.02Å
27H93Very high93.4Very high21 Ų2160 Ų6010%0.09728%0.277CS..  trans-114.7136.7177.7-57.888.7000110.4F6 E11 L12 S13 D14 F29 P30 L31 Y68F6-H27 PolarHBondContact O-CE1 3.31Å; E11-H27 PolarHBondContact O-CE1 3.24Å; E11-H27 PolarHBondContact O-NE2 3.27Å; L12-H27 VanDerWaalsContact C-NE2 3.3Å; L12-H27 PolarHBondContact O-CD2 3.39Å; L12-H27 PolarHBondContact O-NE2 2.92Å; S13-H27 WeakPolarHBondContact CA-NE2 3.21Å; S13-H27 PolarHBondContact N-NE2 2.85Å; D14-H27 WeakPolarHBondContact OD1-CA 3.36Å; H27-F29 PolarHBondContact O-N 3.15Å; H27-P30 HydrophobicContact CB-CG 4.09Å; H27-P30 WeakPolarHBondContact O-CD 3.21Å; H27-L31 WeakPolarHBondContact O-CG 3.35Å; H27-Y68 PolarHBondContact N-OH 3.5Å; H27-Y68 AromaticContact ND1-CE1 3.69Å; H27-Y68 AromaticContact ND1-CZ 3.73Å; H27-Y68 PolarHBondContact ND1-OH 2.94Å
28K92.9Very high93.4Very high46 Ų4660.1 Ų60.120%0.228%0.277CS..Hα-helixtrans-60.7-45.7-179.4-67.4-177-168.7-162.60112.2D14 F15 L31 Y32 A42D14-K28 WeakPolarHBondContact O-CE 3.2Å; D14-K28 PolarHBondContact OD1-N 2.92Å; D14-K28 WeakPolarHBondContact OD2-CB 3.47Å; D14-K28 VanDerWaalsContact OD2-CD 3.32Å; D14-K28 WeakPolarHBondContact OD2-CD 3.33Å; D14-K28 VanDerWaalsContact OD2-CG 3.28Å; D14-K28 WeakPolarHBondContact OD2-CG 3.42Å; F15-K28 HydrophobicContact CB-CG 3.81Å; F15-K28 HydrophobicContact CG-CG 4.31Å; K28-L31 PolarHBondContact O-N 3.45Å; K28-Y32 HydrophobicContact CB-CD1 4.43Å; K28-Y32 HydrophobicContact CB-CE1 3.92Å; K28-Y32 HydrophobicContact CB-CE2 4.19Å; K28-Y32 HydrophobicContact CG-CE1 4.42Å; K28-Y32 WeakPolarHBondContact O-CD1 3.49Å; K28-Y32 VanDerWaalsContact O-CG 3.24Å; K28-Y32 PolarHBondContact O-N 3.46Å; K28-A42 HydrophobicContact CD-CB 4.18Å; K28-A42 HydrophobicContact CG-CB 4.13Å; K28-A42 PolarHBondContact NZ-O 3Å
29F91.5Very high93.2Very high124 Ų12461 Ų6154%0.54428%0.283SS..Hα-helixtrans-60-51.5-171.9-178.9-92000113.9F3 H27 L31 Y32 T33F3-F29 AromaticContact CE1-CD1 3.98Å; F3-F29 HydrophobicContact CE1-CD1 3.98Å; F3-F29 HydrophobicContact CE2-CD1 4.11Å; F3-F29 AromaticContact CE2-CE1 3.91Å; F3-F29 HydrophobicContact CE2-CE1 3.91Å; F3-F29 AromaticContact CZ-CD1 3.53Å; F3-F29 HydrophobicContact CZ-CD1 3.53Å; F3-F29 AromaticContact CZ-CE1 3.64Å; F3-F29 HydrophobicContact CZ-CE1 3.64Å; H27-F29 PolarHBondContact O-N 3.15Å; F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 3.11Å; F29-Y32 PolarHBondContact O-N 2.85Å; F29-T33 HydrophobicContact CE1-CG2 4.27Å; F29-T33 HydrophobicContact CZ-CG2 4.33Å; F29-T33 PolarHBondContact O-N 2.97Å
30P92.9Very high93Very high4 Ų466.2 Ų66.23%0.02631%0.307CS..Hα-helixtrans-52.9-46.3172.9-28.536000113.5F3 H27 Y32 T33 C67 Y68F3-P30 HydrophobicContact CB-CG 4.31Å; F3-P30 HydrophobicContact CD1-CG 3.89Å; F3-P30 HydrophobicContact CE1-CG 4.45Å; F3-P30 HydrophobicContact CG-CG 4.13Å; H27-P30 HydrophobicContact CB-CG 4.09Å; H27-P30 WeakPolarHBondContact O-CD 3.21Å; P30-Y32 PolarHBondContact O-N 3.28Å; P30-T33 PolarHBondContact O-N 3.37Å; P30-T33 PolarHBondContact O-OG1 3.09Å; P30-C67 WeakPolarHBondContact CB-O 3.42Å; P30-Y68 HydrophobicContact CB-CD1 4.22Å; P30-Y68 HydrophobicContact CB-CD2 3.96Å; P30-Y68 HydrophobicContact CB-CE1 4.37Å; P30-Y68 HydrophobicContact CB-CE2 4.06Å; P30-Y68 HydrophobicContact CB-CG 4.1Å; P30-Y68 HydrophobicContact CG-CD1 4.06Å; P30-Y68 HydrophobicContact CG-CE1 3.98Å; P30-Y68 HydrophobicContact CG-CE2 4.46Å; P30-Y68 HydrophobicContact CG-CG 4.45Å
31L93.7Very high93.1Very high0 Ų064.8 Ų64.80%030%0.299CS..Hα-helixtrans-62.9-41.5179.5-60.3176.2000111.9F15 L26 H27 K28 F29 T33 K34 S35 F38 C67F15-L31 HydrophobicContact CD1-CD1 3.6Å; F15-L31 HydrophobicContact CE1-CD1 3.94Å; L26-L31 HydrophobicContact CB-CD1 4.19Å; L26-L31 HydrophobicContact CD1-CD1 4.12Å; L26-L31 HydrophobicContact CD1-CD2 4.4Å; H27-L31 WeakPolarHBondContact O-CG 3.35Å; K28-L31 PolarHBondContact O-N 3.45Å; F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 3.11Å; L31-T33 PolarHBondContact O-N 2.94Å; L31-K34 PolarHBondContact O-N 3.44Å; L31-K34 VanDerWaalsContact O-N 3.09Å; L31-S35 PolarHBondContact O-N 3.29Å; L31-F38 HydrophobicContact CB-CB 3.9Å; L31-F38 HydrophobicContact CB-CD2 3.96Å; L31-F38 HydrophobicContact CB-CG 4.14Å; L31-F38 HydrophobicContact CD1-CB 4.47Å; L31-F38 HydrophobicContact CD1-CD1 4.48Å; L31-F38 HydrophobicContact CD1-CD2 4.13Å; L31-F38 HydrophobicContact CD1-CG 4.12Å; L31-F38 HydrophobicContact CD2-CD2 3.99Å; L31-F38 HydrophobicContact CD2-CE2 4.16Å; L31-F38 HydrophobicContact CG-CD2 4.25Å; L31-C67 HydrophobicContact CD2-CB 3.83Å
32Y92.7Very high92.9Very high66 Ų6656.7 Ų56.726%0.25926%0.256SS..Hα-helixtrans-63-25.4179.7-70.56000113.4K28 F29 P30 K34 F38 K39 A42 S43K28-Y32 HydrophobicContact CB-CD1 4.43Å; K28-Y32 HydrophobicContact CB-CE1 3.92Å; K28-Y32 HydrophobicContact CB-CE2 4.19Å; K28-Y32 HydrophobicContact CG-CE1 4.42Å; K28-Y32 WeakPolarHBondContact O-CD1 3.49Å; K28-Y32 VanDerWaalsContact O-CG 3.24Å; K28-Y32 PolarHBondContact O-N 3.46Å; F29-Y32 PolarHBondContact O-N 2.85Å; P30-Y32 PolarHBondContact O-N 3.28Å; Y32-K34 VanDerWaalsContact C-N 3.3Å; Y32-F38 WeakPolarHBondContact CE1-O 3.33Å; Y32-K39 HydrophobicContact CD1-CB 4.09Å; Y32-K39 HydrophobicContact CE1-CB 4.48Å; Y32-K39 HydrophobicContact CG-CB 4.33Å; Y32-K39 HydrophobicContact CG-CG 4.4Å; Y32-A42 HydrophobicContact CE1-CB 3.88Å; Y32-S43 PolarHBondContact OH-N 3.26Å; Y32-S43 PolarHBondContact OH-OG 3.21Å
33T91.7Very high92.1Very high82 Ų8256.3 Ų56.350%0.50326%0.264SS..THydrogen-bonded Turntrans-76.7-16.4177.367.90000113.7F29 P30 L31F29-T33 HydrophobicContact CE1-CG2 4.27Å; F29-T33 HydrophobicContact CZ-CG2 4.33Å; F29-T33 PolarHBondContact O-N 2.97Å; P30-T33 PolarHBondContact O-N 3.37Å; P30-T33 PolarHBondContact O-OG1 3.09Å; L31-T33 PolarHBondContact O-N 2.94Å
34K94.8Very high91.3Very high55 Ų5551.6 Ų51.624%0.23926%0.259CS..THydrogen-bonded Turntrans-125.2-18.6-174.5-62.8-58.8-170.6172.90115.1L31 Y32 F66 M91 N96L31-K34 PolarHBondContact O-N 3.44Å; L31-K34 VanDerWaalsContact O-N 3.09Å; Y32-K34 VanDerWaalsContact C-N 3.3Å; K34-F66 HydrophobicContact CB-CE1 4.5Å; K34-F66 HydrophobicContact CD-CE1 3.92Å; K34-F66 HydrophobicContact CG-CD1 4.46Å; K34-F66 HydrophobicContact CG-CE1 4.14Å; K34-M91 HydrophobicContact CB-CE 3.88Å; K34-M91 WeakPolarHBondContact O-CA 3.41Å; K34-M91 WeakPolarHBondContact O-CB 3.43Å; K34-M91 WeakPolarHBondContact O-CG 3.3Å; K34-N96 PolarHBondContact O-ND2 3.48Å
35S96.1Very high90.7Very high1 Ų155 Ų551%0.00728%0.278CS..  trans-135.2116.5-174.11720000112.2L31 Y37 F38 K39 L89L31-S35 PolarHBondContact O-N 3.29Å; S35-Y37 VanDerWaalsContact C-N 3.29Å; S35-Y37 PolarHBondContact OG-N 3.11Å; S35-F38 WeakPolarHBondContact OG-CD2 3.45Å; S35-F38 PolarHBondContact OG-N 3.15Å; S35-F38 VanDerWaalsContact OG-N 3.16Å; S35-K39 PolarHBondContact O-N 2.98Å; S35-L89 WeakPolarHBondContact CB-O 3.16Å; S35-L89 PolarHBondContact OG-O 2.89Å
36D94.2Very high90.3Very high79 Ų7953.7 Ų53.742%0.42228%0.281SS..Hα-helixtrans-67.8-30.9171.6-70-43.6000111.8F38 K39 E40 K90D36-F38 PolarHBondContact O-N 2.97Å; D36-K39 WeakPolarHBondContact O-CB 3.5Å; D36-K39 PolarHBondContact O-N 2.88Å; D36-E40 WeakPolarHBondContact O-CG 3.41Å; D36-E40 PolarHBondContact O-N 2.76Å; D36-K90 HydrophobicContact CB-CB 3.94Å; D36-K90 HydrophobicContact CB-CD 4.18Å
37Y94.7Very high90.1Very high43 Ų4357 Ų5717%0.16930%0.301CS..Hα-helixtrans-58.8-48.3175.6175.4-89.4000111.8S35 K39 E40 I41 I50 L89S35-Y37 VanDerWaalsContact C-N 3.29Å; S35-Y37 PolarHBondContact OG-N 3.11Å; Y37-K39 VanDerWaalsContact C-N 3.35Å; Y37-K39 PolarHBondContact O-N 3.05Å; Y37-E40 PolarHBondContact O-N 3.23Å; Y37-I41 HydrophobicContact CD1-CD1 3.94Å; Y37-I41 HydrophobicContact CD2-CD1 3.82Å; Y37-I41 HydrophobicContact CE1-CD1 3.49Å; Y37-I41 VanDerWaalsContact CE1-CD1 3.49Å; Y37-I41 HydrophobicContact CE2-CD1 3.35Å; Y37-I41 HydrophobicContact CG-CD1 4.09Å; Y37-I41 PolarHBondContact O-N 3.26Å; Y37-I41 WeakPolarHBondContact OH-CD1 3.5Å; Y37-I50 HydrophobicContact CE1-CD1 3.71Å; Y37-I50 HydrophobicContact CE1-CG1 4.33Å; Y37-L89 WeakPolarHBondContact CB-O 3.41Å; Y37-L89 HydrophobicContact CD1-CD2 3.44Å; Y37-L89 VanDerWaalsContact CD1-CD2 3.44Å; Y37-L89 HydrophobicContact CE1-CD2 3.76Å; Y37-L89 HydrophobicContact CG-CD2 4.07Å
38F94.5Very high90.1Very high1 Ų156.4 Ų56.40%0.00430%0.299CS..Hα-helixtrans-69-33.9177.6-71.6-51.2000112.7F15 V17 L31 Y32 S35 D36 I41 A42 I50 F60 L89F15-F38 AromaticContact CE1-CD1 3.64Å; F15-F38 HydrophobicContact CE1-CD1 3.64Å; F15-F38 HydrophobicContact CE1-CE1 4.01Å; F15-F38 HydrophobicContact CE1-CG 4.44Å; F15-F38 HydrophobicContact CZ-CD1 4.07Å; V17-F38 HydrophobicContact CG2-CE1 3.91Å; V17-F38 HydrophobicContact CG2-CZ 4.32Å; L31-F38 HydrophobicContact CB-CB 3.9Å; L31-F38 HydrophobicContact CB-CD2 3.96Å; L31-F38 HydrophobicContact CB-CG 4.14Å; L31-F38 HydrophobicContact CD1-CB 4.47Å; L31-F38 HydrophobicContact CD1-CD1 4.48Å; L31-F38 HydrophobicContact CD1-CD2 4.13Å; L31-F38 HydrophobicContact CD1-CG 4.12Å; L31-F38 HydrophobicContact CD2-CD2 3.99Å; L31-F38 HydrophobicContact CD2-CE2 4.16Å; L31-F38 HydrophobicContact CG-CD2 4.25Å; Y32-F38 WeakPolarHBondContact CE1-O 3.33Å; S35-F38 WeakPolarHBondContact OG-CD2 3.45Å; S35-F38 PolarHBondContact OG-N 3.15Å; S35-F38 VanDerWaalsContact OG-N 3.16Å; D36-F38 PolarHBondContact O-N 2.97Å; F38-I41 PolarHBondContact O-N 3.34Å; F38-A42 VanDerWaalsContact O-CB 3.27Å; F38-A42 WeakPolarHBondContact O-CB 3.48Å; F38-A42 PolarHBondContact O-N 3.08Å; F38-I50 HydrophobicContact CE1-CD1 4.22Å; F38-I50 HydrophobicContact CZ-CD1 4.22Å; F38-F60 HydrophobicContact CE2-CE2 4.13Å; F38-F60 AromaticContact CZ-CE2 3.72Å; F38-F60 HydrophobicContact CZ-CE2 3.72Å; F38-F60 HydrophobicContact CZ-CZ 4.04Å; F38-L89 HydrophobicContact CD2-CD2 4.47Å; F38-L89 HydrophobicContact CE1-CD2 4.23Å; F38-L89 HydrophobicContact CE2-CD1 3.96Å; F38-L89 HydrophobicContact CE2-CD2 3.7Å; F38-L89 HydrophobicContact CE2-CG 4.36Å; F38-L89 HydrophobicContact CZ-CD1 4.31Å; F38-L89 HydrophobicContact CZ-CD2 3.54Å
39K92.5Very high90.1Very high110 Ų11060.3 Ų60.348%0.47832%0.318SS..Hα-helixtrans-61.9-41.2174.6-172.6-179.6176.6-1760112.5Y32 S35 D36 Y37 S43Y32-K39 HydrophobicContact CD1-CB 4.09Å; Y32-K39 HydrophobicContact CE1-CB 4.48Å; Y32-K39 HydrophobicContact CG-CB 4.33Å; Y32-K39 HydrophobicContact CG-CG 4.4Å; S35-K39 PolarHBondContact O-N 2.98Å; D36-K39 WeakPolarHBondContact O-CB 3.5Å; D36-K39 PolarHBondContact O-N 2.88Å; Y37-K39 VanDerWaalsContact C-N 3.35Å; Y37-K39 PolarHBondContact O-N 3.05Å; K39-S43 PolarHBondContact O-OG 2.72Å
40E91.1Very high90.1Very high110 Ų11054.9 Ų54.951%0.51430%0.295SS..Hα-helixtrans-66-51.8173.7-70.7167.2-170.400111.5D36 Y37 K90D36-E40 WeakPolarHBondContact O-CG 3.41Å; D36-E40 PolarHBondContact O-N 2.76Å; Y37-E40 PolarHBondContact O-N 3.23Å; E40-K90 IonicContact OE1-NZ 3.46Å; E40-K90 PolarHBondContact OE1-NZ 3.02Å; E40-K90 IonicContact OE2-NZ 3.66Å; E40-K90 PolarHBondContact OE2-NZ 3.14Å
41I89.2Confident89.9Confident44 Ų4459.5 Ų59.523%0.22632%0.319CS..Hα-helixtrans-78.9-47.6-169.2-72163.4000113.1Y37 F38 S43 S44 N45 C48Y37-I41 HydrophobicContact CD1-CD1 3.94Å; Y37-I41 HydrophobicContact CD2-CD1 3.82Å; Y37-I41 HydrophobicContact CE1-CD1 3.49Å; Y37-I41 VanDerWaalsContact CE1-CD1 3.49Å; Y37-I41 HydrophobicContact CE2-CD1 3.35Å; Y37-I41 HydrophobicContact CG-CD1 4.09Å; Y37-I41 PolarHBondContact O-N 3.26Å; Y37-I41 WeakPolarHBondContact OH-CD1 3.5Å; F38-I41 PolarHBondContact O-N 3.34Å; I41-S43 PolarHBondContact O-N 3.11Å; I41-S43 VanDerWaalsContact O-N 3.16Å; I41-S44 PolarHBondContact O-N 3.34Å; I41-S44 PolarHBondContact O-OG 2.9Å; I41-N45 PolarHBondContact O-N 2.92Å; I41-C48 HydrophobicContact CG2-CB 4.08Å
42A81.5Confident89.6Confident1 Ų166.8 Ų66.81%0.00836%0.358CS..THydrogen-bonded Turntrans-72.2-11.1-173.900000113.5F15 K28 Y32 F38 S44 N45F15-A42 HydrophobicContact CD1-CB 4.34Å; F15-A42 HydrophobicContact CD2-CB 3.56Å; F15-A42 HydrophobicContact CE1-CB 4.07Å; F15-A42 HydrophobicContact CE2-CB 3.28Å; F15-A42 HydrophobicContact CG-CB 4.1Å; F15-A42 HydrophobicContact CZ-CB 3.54Å; K28-A42 HydrophobicContact CD-CB 4.18Å; K28-A42 HydrophobicContact CG-CB 4.13Å; K28-A42 PolarHBondContact NZ-O 3Å; Y32-A42 HydrophobicContact CE1-CB 3.88Å; F38-A42 VanDerWaalsContact O-CB 3.27Å; F38-A42 WeakPolarHBondContact O-CB 3.48Å; F38-A42 PolarHBondContact O-N 3.08Å; A42-S44 VanDerWaalsContact C-N 3.28Å; A42-N45 WeakPolarHBondContact CA-O 3.46Å
43S77.5Confident89.6Confident88 Ų8864 Ų6462%0.61535%0.347SS*.THydrogen-bonded Turntrans-69-27.2167.7-64.30000112.2Y32 K39 I41Y32-S43 PolarHBondContact OH-N 3.26Å; Y32-S43 PolarHBondContact OH-OG 3.21Å; K39-S43 PolarHBondContact O-OG 2.72Å; I41-S43 PolarHBondContact O-N 3.11Å; I41-S43 VanDerWaalsContact O-N 3.16Å
44S78Confident89.7Confident83 Ų8360.9 Ų60.958%0.5833%0.328SS*.THydrogen-bonded Turntrans-96.8-33.7-179.970.10000113.8I41 A42I41-S44 PolarHBondContact O-N 3.34Å; I41-S44 PolarHBondContact O-OG 2.9Å; A42-S44 VanDerWaalsContact C-N 3.28Å
45N81.8Confident89.5Confident86 Ų8659.7 Ų59.746%0.4633%0.331SS..  trans-138.6141.2-172.2-73.3-78.6000112F15 I41 A42 V47F15-N45 WeakPolarHBondContact CE2-O 3.31Å; I41-N45 PolarHBondContact O-N 2.92Å; A42-N45 WeakPolarHBondContact CA-O 3.46Å; N45-V47 WeakPolarHBondContact CB-O 3.42Å; N45-V47 PolarHBondContact O-N 3.1Å
46P86.8Confident89.3Confident83 Ų8360.4 Ų60.454%0.53934%0.339SS..SBendtrans-77.5-8.5172.632.7-34.7000113.2F15 T16F15-P46 WeakPolarHBondContact CA-O 3.41Å; F15-P46 WeakPolarHBondContact CD2-O 3.46Å; T16-P46 PolarHBondContact N-O 2.78Å
47V91.7Very high89.3Confident71 Ų7157.3 Ų57.343%0.4332%0.324SS..EExtended strand (participates in β ladder)trans-128.9137.7-179.8-179.20000109.2T16 Y18 N45T16-V47 CarbonylContact O-C 3.59Å; T16-V47 WeakPolarHBondContact O-CA 2.94Å; Y18-V47 HydrophobicContact CD2-CG1 3.73Å; Y18-V47 HydrophobicContact CE2-CG1 3.6Å; N45-V47 WeakPolarHBondContact CB-O 3.42Å; N45-V47 PolarHBondContact O-N 3.1Å
48C92.1Very high89.2Confident8 Ų862.8 Ų62.85%0.05435%0.348CS..EExtended strand (participates in β ladder)trans-128.7142.9171.3178.80000109.2F15 T16 V17 Y18 I41F15-C48 HydrophobicContact CE1-CB 4.35Å; F15-C48 HydrophobicContact CE2-CB 3.99Å; F15-C48 HydrophobicContact CZ-CB 3.47Å; F15-C48 VanDerWaalsContact CZ-CB 3.47Å; T16-C48 PolarHBondContact O-N 3.24Å; V17-C48 CarbonylContact C-O 3.55Å; V17-C48 WeakPolarHBondContact CA-O 3.44Å; Y18-C48 PolarHBondContact N-O 3.06Å; I41-C48 HydrophobicContact CG2-CB 4.08Å
49Q92.7Very high89.2Confident127 Ų12763.3 Ų63.359%0.59335%0.352SS*.EExtended strand (participates in β ladder)trans-122.7129.1170.7178.4174.5-10.700108Y18 N51Y18-Q49 WeakPolarHBondContact O-CA 3.46Å; Q49-N51 WeakPolarHBondContact CG-OD1 3.38Å; Q49-N51 PolarHBondContact NE2-OD1 3.31Å
50I92.8Very high89.4Confident11 Ų1158.1 Ų58.16%0.05633%0.33CS..EExtended strand (participates in β ladder)trans-121113174.8-41.2175.2000107.4V17 Y18 I19 Y37 F38 F53 L88 L89V17-I50 HydrophobicContact CG1-CD1 4.34Å; V17-I50 HydrophobicContact CG1-CG1 4.47Å; Y18-I50 PolarHBondContact O-N 3.13Å; I19-I50 HydrophobicContact CD1-CB 3.76Å; I19-I50 HydrophobicContact CD1-CD1 4.03Å; I19-I50 HydrophobicContact CD1-CG1 4.08Å; Y37-I50 HydrophobicContact CE1-CD1 3.71Å; Y37-I50 HydrophobicContact CE1-CG1 4.33Å; F38-I50 HydrophobicContact CE1-CD1 4.22Å; F38-I50 HydrophobicContact CZ-CD1 4.22Å; I50-F53 HydrophobicContact CD1-CD2 4.41Å; I50-F53 HydrophobicContact CG2-CD2 4.13Å; I50-L88 HydrophobicContact CG2-CD2 4.28Å; I50-L89 HydrophobicContact CD1-CD2 3.88Å
51N88.9Confident89.6Confident100 Ų10054.2 Ų54.254%0.53532%0.316SS..SBendtrans-85.7156.4173.8-56.7-27.1000109.2Q49 F53Q49-N51 WeakPolarHBondContact CG-OD1 3.38Å; Q49-N51 PolarHBondContact NE2-OD1 3.31Å; N51-F53 VanDerWaalsContact C-N 3.28Å; N51-F53 PolarHBondContact O-N 3.32Å
52D86.6Confident89.9Confident154 Ų15453.9 Ų53.982%0.82432%0.316SS*.SBendtrans5539.2175.8-51.6-44.5000113.7
53F93Very high90.7Very high8 Ų853.9 Ų53.94%0.03532%0.316CS..  trans-65.9134.3180-167.2-92.5000110.8I19 I50 N51 G55 G56 F60 V63 A85 L88 L89I19-F53 HydrophobicContact CD1-CB 4.29Å; I19-F53 HydrophobicContact CD1-CD2 3.99Å; I19-F53 HydrophobicContact CD1-CG 4.19Å; I19-F53 HydrophobicContact CG2-CB 3.62Å; I19-F53 HydrophobicContact CG2-CG 4.16Å; I50-F53 HydrophobicContact CD1-CD2 4.41Å; I50-F53 HydrophobicContact CG2-CD2 4.13Å; N51-F53 VanDerWaalsContact C-N 3.28Å; N51-F53 PolarHBondContact O-N 3.32Å; F53-G55 PolarHBondContact O-N 3.3Å; F53-G56 WeakPolarHBondContact O-CA 3.43Å; F53-G56 PolarHBondContact O-N 3.33Å; F53-F60 HydrophobicContact CD1-CB 3.96Å; F53-F60 HydrophobicContact CE1-CB 3.71Å; F53-F60 HydrophobicContact CE1-CD2 4.15Å; F53-F60 HydrophobicContact CE1-CG 4.44Å; F53-F60 AromaticContact CE2-CD2 3.91Å; F53-F60 HydrophobicContact CE2-CD2 3.91Å; F53-F60 HydrophobicContact CZ-CB 4.12Å; F53-F60 AromaticContact CZ-CD2 3.66Å; F53-F60 HydrophobicContact CZ-CD2 3.66Å; F53-F60 HydrophobicContact CZ-CG 4.38Å; F53-V63 HydrophobicContact CZ-CG2 4.46Å; F53-A85 HydrophobicContact CE1-CB 3.66Å; F53-A85 HydrophobicContact CE2-CB 4.33Å; F53-A85 HydrophobicContact CZ-CB 3.44Å; F53-A85 VanDerWaalsContact CZ-CB 3.44Å; F53-L88 HydrophobicContact CD2-CD2 4Å; F53-L88 HydrophobicContact CE2-CD2 4.19Å; F53-L89 HydrophobicContact CE2-CD1 3.79Å; F53-L89 HydrophobicContact CE2-CD2 4.33Å; F53-L89 HydrophobicContact CE2-CG 4.07Å; F53-L89 HydrophobicContact CZ-CD1 3.84Å
54P92.9Very high91.5Very high15 Ų1549.7 Ų49.710%0.09729%0.287CS..THydrogen-bonded Turntrans-57.8115.3-178.6-26.935.8000112.5G56 S59 A84 I131P54-G56 VanDerWaalsContact C-N 3.26Å; P54-G56 PolarHBondContact O-N 3.35Å; P54-S59 WeakPolarHBondContact O-CB 3.31Å; P54-S59 PolarHBondContact O-OG 3.35Å; P54-A84 HydrophobicContact CB-CB 3.71Å; P54-A84 HydrophobicContact CG-CB 3.75Å; P54-I131 HydrophobicContact CB-CD1 4.48Å; P54-I131 HydrophobicContact CB-CG2 4.46Å
55G90.2Very high92.4Very high30 Ų3047.7 Ų47.731%0.30927%0.269SS..THydrogen-bonded Turntrans70.119.4-176.300000114.6F53 S59F53-G55 PolarHBondContact O-N 3.3Å; G55-S59 WeakPolarHBondContact CA-OG 3.41Å; G55-S59 WeakPolarHBondContact O-CB 3.46Å; G55-S59 PolarHBondContact O-N 3.15Å; G55-S59 PolarHBondContact O-OG 3.06Å; G55-S59 VanDerWaalsContact O-OG 3.04Å
56G92.4Very high93.1Very high16 Ų1644.1 Ų44.117%0.16525%0.25CC..Hα-helixtrans59-159.5170.900000115.9D20 F53 P54 K58 S59 F60D20-G56 WeakPolarHBondContact OD2-CA 3.38Å; F53-G56 WeakPolarHBondContact O-CA 3.43Å; F53-G56 PolarHBondContact O-N 3.33Å; P54-G56 VanDerWaalsContact C-N 3.26Å; P54-G56 PolarHBondContact O-N 3.35Å; G56-K58 VanDerWaalsContact C-N 3.26Å; G56-K58 PolarHBondContact O-N 2.92Å; G56-S59 PolarHBondContact O-N 3.42Å; G56-S59 VanDerWaalsContact O-N 3.15Å; G56-F60 PolarHBondContact O-N 2.99Å; G56-F60 VanDerWaalsContact O-N 3.1Å
57S93.9Very high93.5Very high15 Ų1540.4 Ų40.411%0.10523%0.225CC..Hα-helixtrans-50.2-41.1178.164.70000114.1D20 E22 S59 F60 A61D20-S57 PolarHBondContact OD2-N 3.31Å; D20-S57 VanDerWaalsContact OD2-N 3.16Å; E22-S57 VanDerWaalsContact OE1-CB 3.23Å; E22-S57 WeakPolarHBondContact OE1-CB 3.36Å; E22-S57 PolarHBondContact OE1-OG 2.93Å; E22-S57 WeakPolarHBondContact OE2-CB 3.47Å; S57-S59 PolarHBondContact O-N 3.03Å; S57-F60 PolarHBondContact O-N 2.7Å; S57-A61 PolarHBondContact O-N 3.25Å
58K92.9Very high93.6Very high158 Ų15837.5 Ų37.569%0.68721%0.207SC*.Hα-helixtrans-57.8-47.1178.6-67.2-178.5-178.1176.10111.9G56 A61G56-K58 VanDerWaalsContact C-N 3.26Å; G56-K58 PolarHBondContact O-N 2.92Å; K58-A61 PolarHBondContact O-N 3.09Å
59S94.4Very high93.6Very high12 Ų1237.8 Ų37.88%0.08421%0.211CC..Hα-helixtrans-69.7-38.9178.2-64.20000111.3P54 G55 G56 S57 A61 V62 V63P54-S59 WeakPolarHBondContact O-CB 3.31Å; P54-S59 PolarHBondContact O-OG 3.35Å; G55-S59 WeakPolarHBondContact CA-OG 3.41Å; G55-S59 WeakPolarHBondContact O-CB 3.46Å; G55-S59 PolarHBondContact O-N 3.15Å; G55-S59 PolarHBondContact O-OG 3.06Å; G55-S59 VanDerWaalsContact O-OG 3.04Å; G56-S59 PolarHBondContact O-N 3.42Å; G56-S59 VanDerWaalsContact O-N 3.15Å; S57-S59 PolarHBondContact O-N 3.03Å; S59-A61 VanDerWaalsContact C-N 3.31Å; S59-A61 PolarHBondContact O-N 3.19Å; S59-V62 PolarHBondContact O-N 2.68Å; S59-V63 WeakPolarHBondContact O-CG2 3.47Å; S59-V63 PolarHBondContact O-N 2.69Å; S59-V63 VanDerWaalsContact O-N 3.08Å
60F96.6Very high93.7Very high1 Ų133.4 Ų33.40%0.00419%0.19CC..Hα-helixtrans-62.3-36.7175.5-175.6-106.4000113V17 I19 F24 L26 F38 F53 G56 S57 V62 V63 A64 L89V17-F60 HydrophobicContact CB-CE1 4.03Å; V17-F60 HydrophobicContact CB-CZ 3.95Å; V17-F60 HydrophobicContact CG1-CE1 3.99Å; V17-F60 HydrophobicContact CG1-CE2 4.37Å; V17-F60 HydrophobicContact CG1-CZ 3.77Å; V17-F60 HydrophobicContact CG2-CZ 4.12Å; I19-F60 HydrophobicContact CD1-CB 4.41Å; I19-F60 HydrophobicContact CD1-CD1 4.33Å; I19-F60 HydrophobicContact CD1-CD2 4.12Å; I19-F60 HydrophobicContact CD1-CG 4.01Å; I19-F60 HydrophobicContact CG1-CB 3.84Å; I19-F60 HydrophobicContact CG1-CD1 3.58Å; I19-F60 HydrophobicContact CG1-CD2 4.19Å; I19-F60 HydrophobicContact CG1-CE1 4.18Å; I19-F60 HydrophobicContact CG1-CG 3.57Å; I19-F60 HydrophobicContact CG2-CB 4.43Å; F24-F60 HydrophobicContact CB-CD1 4.35Å; F24-F60 HydrophobicContact CB-CE1 3.76Å; F24-F60 AromaticContact CD1-CD1 3.86Å; F24-F60 HydrophobicContact CD1-CD1 3.86Å; F24-F60 HydrophobicContact CD1-CE1 4Å; F24-F60 AromaticContact CD2-CD1 3.55Å; F24-F60 HydrophobicContact CD2-CD1 3.55Å; F24-F60 AromaticContact CD2-CE1 3.8Å; F24-F60 HydrophobicContact CD2-CE1 3.8Å; F24-F60 HydrophobicContact CE1-CD1 4.02Å; F24-F60 AromaticContact CE2-CD1 3.73Å; F24-F60 HydrophobicContact CE2-CD1 3.73Å; F24-F60 HydrophobicContact CE2-CE1 4.44Å; F24-F60 AromaticContact CG-CD1 3.64Å; F24-F60 HydrophobicContact CG-CD1 3.64Å; F24-F60 AromaticContact CG-CE1 3.57Å; F24-F60 HydrophobicContact CG-CE1 3.57Å; F24-F60 AromaticContact CZ-CD1 3.97Å; F24-F60 HydrophobicContact CZ-CD1 3.97Å; L26-F60 HydrophobicContact CD1-CE1 3.87Å; L26-F60 HydrophobicContact CD1-CZ 3.8Å; F38-F60 HydrophobicContact CE2-CE2 4.13Å; F38-F60 AromaticContact CZ-CE2 3.72Å; F38-F60 HydrophobicContact CZ-CE2 3.72Å; F38-F60 HydrophobicContact CZ-CZ 4.04Å; F53-F60 HydrophobicContact CD1-CB 3.96Å; F53-F60 HydrophobicContact CE1-CB 3.71Å; F53-F60 HydrophobicContact CE1-CD2 4.15Å; F53-F60 HydrophobicContact CE1-CG 4.44Å; F53-F60 AromaticContact CE2-CD2 3.91Å; F53-F60 HydrophobicContact CE2-CD2 3.91Å; F53-F60 HydrophobicContact CZ-CB 4.12Å; F53-F60 AromaticContact CZ-CD2 3.66Å; F53-F60 HydrophobicContact CZ-CD2 3.66Å; F53-F60 HydrophobicContact CZ-CG 4.38Å; G56-F60 PolarHBondContact O-N 2.99Å; G56-F60 VanDerWaalsContact O-N 3.1Å; S57-F60 PolarHBondContact O-N 2.7Å; F60-V62 VanDerWaalsContact C-N 3.29Å; F60-V62 PolarHBondContact O-N 3.29Å; F60-V63 PolarHBondContact O-N 3.21Å; F60-A64 HydrophobicContact CE1-CB 4.41Å; F60-A64 WeakPolarHBondContact O-CB 3.43Å; F60-A64 PolarHBondContact O-N 3.48Å; F60-L89 HydrophobicContact CE2-CD1 4.41Å
61A95.5Very high93.6Very high27 Ų2737.5 Ų37.522%0.22321%0.209CC..Hα-helixtrans-57.9-41.8175.400000112.1F24 S57 K58 S59 A64 D65F24-A61 HydrophobicContact CE1-CB 3.92Å; F24-A61 HydrophobicContact CZ-CB 4.4Å; S57-A61 PolarHBondContact O-N 3.25Å; K58-A61 PolarHBondContact O-N 3.09Å; S59-A61 VanDerWaalsContact C-N 3.31Å; S59-A61 PolarHBondContact O-N 3.19Å; A61-A64 PolarHBondContact O-N 3.32Å; A61-D65 WeakPolarHBondContact O-CB 3.3Å; A61-D65 VanDerWaalsContact O-CG 3.3Å; A61-D65 PolarHBondContact O-N 3.13Å
62V96.7Very high93.9Very high38 Ų3833 Ų3323%0.2319%0.185CC..Hα-helixtrans-67.4-42.2175.8-178.80000111.4S59 F60 A64 D65 F66 I72 L82S59-V62 PolarHBondContact O-N 2.68Å; F60-V62 VanDerWaalsContact C-N 3.29Å; F60-V62 PolarHBondContact O-N 3.29Å; V62-A64 VanDerWaalsContact C-N 3.35Å; V62-A64 PolarHBondContact O-N 3.11Å; V62-D65 PolarHBondContact O-N 2.94Å; V62-F66 PolarHBondContact O-N 2.94Å; V62-I72 HydrophobicContact CG1-CB 3.81Å; V62-I72 HydrophobicContact CG1-CD1 4.44Å; V62-I72 HydrophobicContact CG1-CG2 3.71Å; V62-I72 WeakPolarHBondContact O-CG2 3.2Å; V62-L82 HydrophobicContact CB-CD2 4.04Å; V62-L82 HydrophobicContact CG1-CD1 4.29Å; V62-L82 HydrophobicContact CG1-CD2 3.85Å
63V97Very high94.2Very high1 Ų128.6 Ų28.61%0.00616%0.162CC..Hα-helixtrans-63.8-40.7176.1178.80000111.6F53 S59 F60 F66 C67 L82 A85 L89 M91 L97F53-V63 HydrophobicContact CZ-CG2 4.46Å; S59-V63 WeakPolarHBondContact O-CG2 3.47Å; S59-V63 PolarHBondContact O-N 2.69Å; S59-V63 VanDerWaalsContact O-N 3.08Å; F60-V63 PolarHBondContact O-N 3.21Å; V63-F66 WeakPolarHBondContact O-CB 3.31Å; V63-F66 PolarHBondContact O-N 3.14Å; V63-C67 PolarHBondContact O-N 3.46Å; V63-C67 VanDerWaalsContact O-N 3.12Å; V63-C67 PolarHBondContact O-SG 3.13Å; V63-L82 HydrophobicContact CG2-CD2 3.99Å; V63-A85 HydrophobicContact CG2-CB 4Å; V63-L89 HydrophobicContact CG1-CD1 3.73Å; V63-M91 HydrophobicContact CG1-CE 4Å; V63-M91 HydrophobicContact CG1-SD 3.54Å; V63-M91 VanDerWaalsContact CG1-SD 3.54Å; V63-L97 HydrophobicContact CB-CD2 4.35Å; V63-L97 HydrophobicContact CG1-CD2 4.11Å; V63-L97 HydrophobicContact CG2-CD2 3.79Å
64A95.8Very high94.4Very high0 Ų028.3 Ų28.30%016%0.16CC..Hα-helixtrans-61.3-48.3174.200000110.3L26 F60 A61 V62 F66 C67 Y68L26-A64 HydrophobicContact CD1-CB 4.46Å; L26-A64 HydrophobicContact CD2-CB 4.25Å; F60-A64 HydrophobicContact CE1-CB 4.41Å; F60-A64 WeakPolarHBondContact O-CB 3.43Å; F60-A64 PolarHBondContact O-N 3.48Å; A61-A64 PolarHBondContact O-N 3.32Å; V62-A64 VanDerWaalsContact C-N 3.35Å; V62-A64 PolarHBondContact O-N 3.11Å; A64-F66 VanDerWaalsContact C-N 3.31Å; A64-F66 PolarHBondContact O-N 3.47Å; A64-C67 WeakPolarHBondContact O-CA 3.43Å; A64-C67 WeakPolarHBondContact O-CB 3.46Å; A64-C67 PolarHBondContact O-N 3.45Å; A64-Y68 VanDerWaalsContact O-CD2 3.24Å; A64-Y68 WeakPolarHBondContact O-CD2 3.41Å; A64-Y68 PolarHBondContact O-N 3.26Å
65D95.7Very high94.5Very high40 Ų4028.7 Ų28.721%0.21416%0.162CC..Hα-helixtrans-59.5-40.3179.1-76.711000112.4R7 A61 V62 C67 Y68 G69 K70 I72R7-D65 IonicContact CZ-OD1 3.9Å; R7-D65 IonicContact NE-OD1 2.7Å; R7-D65 PolarHBondContact NE-OD1 3.15Å; R7-D65 IonicContact NH2-OD1 3.91Å; R7-D65 PolarHBondContact NH2-OD1 3.2Å; A61-D65 WeakPolarHBondContact O-CB 3.3Å; A61-D65 VanDerWaalsContact O-CG 3.3Å; A61-D65 PolarHBondContact O-N 3.13Å; V62-D65 PolarHBondContact O-N 2.94Å; D65-C67 VanDerWaalsContact C-N 3.34Å; D65-C67 PolarHBondContact O-N 2.99Å; D65-Y68 PolarHBondContact O-N 2.88Å; D65-Y68 VanDerWaalsContact O-N 3.14Å; D65-G69 PolarHBondContact O-N 3.37Å; D65-K70 HydrophobicContact CB-CB 4.04Å; D65-K70 HydrophobicContact CB-CD 3.98Å; D65-K70 WeakPolarHBondContact O-CB 3.39Å; D65-K70 PolarHBondContact O-N 3.24Å; D65-I72 HydrophobicContact CB-CG2 4.36Å
66F95.8Very high94.7Very high11 Ų1127.3 Ų27.35%0.04815%0.148CC..Hα-helixtrans-58.2-41.3170.7178.2-93.3000113K34 V62 V63 A64 Y68 G69 I72 M91 N96 L97 I100K34-F66 HydrophobicContact CB-CE1 4.5Å; K34-F66 HydrophobicContact CD-CE1 3.92Å; K34-F66 HydrophobicContact CG-CD1 4.46Å; K34-F66 HydrophobicContact CG-CE1 4.14Å; V62-F66 PolarHBondContact O-N 2.94Å; V63-F66 WeakPolarHBondContact O-CB 3.31Å; V63-F66 PolarHBondContact O-N 3.14Å; A64-F66 VanDerWaalsContact C-N 3.31Å; A64-F66 PolarHBondContact O-N 3.47Å; F66-Y68 PolarHBondContact O-N 3.19Å; F66-G69 PolarHBondContact O-N 2.9Å; F66-I72 HydrophobicContact CB-CD1 4.16Å; F66-I72 HydrophobicContact CB-CG2 3.96Å; F66-I72 HydrophobicContact CD2-CD1 3.71Å; F66-I72 HydrophobicContact CD2-CG1 4.17Å; F66-I72 HydrophobicContact CG-CD1 4.27Å; F66-M91 HydrophobicContact CD1-CE 3.72Å; F66-M91 HydrophobicContact CE1-CE 3.97Å; F66-N96 WeakPolarHBondContact CE1-OD1 3.09Å; F66-L97 HydrophobicContact CD1-CB 4.05Å; F66-L97 HydrophobicContact CD2-CD1 4.27Å; F66-L97 HydrophobicContact CE1-CB 3.81Å; F66-L97 HydrophobicContact CE2-CD1 4.48Å; F66-L97 HydrophobicContact CG-CD1 4.37Å; F66-L97 HydrophobicContact CZ-CB 4.12Å; F66-I100 HydrophobicContact CE2-CD1 3.66Å; F66-I100 HydrophobicContact CZ-CD1 3.9Å
67C95.3Very high94.8Very high5 Ų529 Ų293%0.03415%0.152CC..Hα-helixtrans-64.4-23.1178.2-63.90000113.4P30 L31 V63 A64 D65P30-C67 WeakPolarHBondContact CB-O 3.42Å; L31-C67 HydrophobicContact CD2-CB 3.83Å; V63-C67 PolarHBondContact O-N 3.46Å; V63-C67 VanDerWaalsContact O-N 3.12Å; V63-C67 PolarHBondContact O-SG 3.13Å; A64-C67 WeakPolarHBondContact O-CA 3.43Å; A64-C67 WeakPolarHBondContact O-CB 3.46Å; A64-C67 PolarHBondContact O-N 3.45Å; D65-C67 VanDerWaalsContact C-N 3.34Å; D65-C67 PolarHBondContact O-N 2.99Å
68Y94.3Very high94.8Very high11 Ų1129.9 Ų29.94%0.04316%0.155CC..THydrogen-bonded Turntrans-94.35.5174.7-73.9-111.3000112.9F3 K4 R7 L26 H27 P30 A64 D65 F66 K70F3-Y68 HydrophobicContact CB-CD1 3.97Å; F3-Y68 VanDerWaalsContact O-CD1 3.22Å; F3-Y68 WeakPolarHBondContact O-CD1 3.4Å; K4-Y68 WeakPolarHBondContact CG-O 3.46Å; R7-Y68 HydrophobicContact CB-CD1 3.58Å; R7-Y68 HydrophobicContact CB-CD2 4.4Å; R7-Y68 HydrophobicContact CB-CE1 3.7Å; R7-Y68 HydrophobicContact CB-CG 3.88Å; R7-Y68 HydrophobicContact CG-CD1 4.43Å; R7-Y68 HydrophobicContact CG-CD2 4.43Å; R7-Y68 HydrophobicContact CG-CG 4.28Å; L26-Y68 WeakPolarHBondContact CA-OH 3.31Å; L26-Y68 HydrophobicContact CD2-CE2 4.02Å; H27-Y68 PolarHBondContact N-OH 3.5Å; H27-Y68 AromaticContact ND1-CE1 3.69Å; H27-Y68 AromaticContact ND1-CZ 3.73Å; H27-Y68 PolarHBondContact ND1-OH 2.94Å; P30-Y68 HydrophobicContact CB-CD1 4.22Å; P30-Y68 HydrophobicContact CB-CD2 3.96Å; P30-Y68 HydrophobicContact CB-CE1 4.37Å; P30-Y68 HydrophobicContact CB-CE2 4.06Å; P30-Y68 HydrophobicContact CB-CG 4.1Å; P30-Y68 HydrophobicContact CG-CD1 4.06Å; P30-Y68 HydrophobicContact CG-CE1 3.98Å; P30-Y68 HydrophobicContact CG-CE2 4.46Å; P30-Y68 HydrophobicContact CG-CG 4.45Å; A64-Y68 VanDerWaalsContact O-CD2 3.24Å; A64-Y68 WeakPolarHBondContact O-CD2 3.41Å; A64-Y68 PolarHBondContact O-N 3.26Å; D65-Y68 PolarHBondContact O-N 2.88Å; D65-Y68 VanDerWaalsContact O-N 3.14Å; F66-Y68 PolarHBondContact O-N 3.19Å; Y68-K70 VanDerWaalsContact C-N 3.28Å; Y68-K70 PolarHBondContact O-N 2.95Å
69G92.7Very high94.9Very high14 Ų1422.4 Ų22.414%0.14412%0.123CC..THydrogen-bonded Turntrans69.322.3-178.700000113.8K4 D65 F66K4-G69 WeakPolarHBondContact CE-O 3.08Å; K4-G69 PolarHBondContact NZ-O 2.93Å; D65-G69 PolarHBondContact O-N 3.37Å; F66-G69 PolarHBondContact O-N 2.9Å
70K93.5Very high95.1Very high35 Ų3521.8 Ų21.815%0.15212%0.119CC..  trans-71.6152.9168.1-66.5-176.1164.1-165.10109.7K4 R7 D8 D65 Y68 I72K4-K70 HydrophobicContact CB-CG 4.28Å; K4-K70 HydrophobicContact CD-CG 4.33Å; K4-K70 HydrophobicContact CG-CG 4.06Å; K4-K70 WeakPolarHBondContact O-CE 3.5Å; R7-K70 HydrophobicContact CG-CD 4.25Å; D8-K70 IonicContact OD1-NZ 2.7Å; D8-K70 PolarHBondContact OD1-NZ 2.96Å; D8-K70 WeakPolarHBondContact OD2-CE 3.36Å; D8-K70 IonicContact OD2-NZ 3.11Å; D8-K70 PolarHBondContact OD2-NZ 3.18Å; D65-K70 HydrophobicContact CB-CB 4.04Å; D65-K70 HydrophobicContact CB-CD 3.98Å; D65-K70 WeakPolarHBondContact O-CB 3.39Å; D65-K70 PolarHBondContact O-N 3.24Å; Y68-K70 VanDerWaalsContact C-N 3.28Å; Y68-K70 PolarHBondContact O-N 2.95Å; K70-I72 PolarHBondContact O-N 3.26Å
71E91.6Very high95Very high96 Ų9622.6 Ų22.645%0.44912%0.122SC..  trans-68.5127.7172.1-66.2-176.9-171.400108.9N648E71-N648 PolarHBondContact OE1-ND2 2.82Å
72I95Very high95.1Very high7 Ų721.4 Ų21.44%0.03611%0.111CC..EExtended strand (participates in β ladder)trans-108.3145.8174.658.2162.3000110.1V62 D65 F66 K70 I74 L97V62-I72 HydrophobicContact CG1-CB 3.81Å; V62-I72 HydrophobicContact CG1-CD1 4.44Å; V62-I72 HydrophobicContact CG1-CG2 3.71Å; V62-I72 WeakPolarHBondContact O-CG2 3.2Å; D65-I72 HydrophobicContact CB-CG2 4.36Å; F66-I72 HydrophobicContact CB-CD1 4.16Å; F66-I72 HydrophobicContact CB-CG2 3.96Å; F66-I72 HydrophobicContact CD2-CD1 3.71Å; F66-I72 HydrophobicContact CD2-CG1 4.17Å; F66-I72 HydrophobicContact CG-CD1 4.27Å; K70-I72 PolarHBondContact O-N 3.26Å; I72-I74 HydrophobicContact CD1-CD1 3.89Å; I72-I74 HydrophobicContact CD1-CG1 3.88Å; I72-I74 HydrophobicContact CG1-CG1 4.28Å; I72-L97 HydrophobicContact CD1-CD1 3.65Å
73N94.1Very high95.1Very high61 Ų6121.1 Ų21.133%0.32611%0.106SC..EExtended strand (participates in β ladder)trans-95.1114.3172.3-167.16.4000109.3N78 E644N73-N78 PolarHBondContact O-ND2 3.12Å; N73-E644 PolarHBondContact ND2-OE1 3.09Å; N73-E644 WeakPolarHBondContact OD1-CG 3.45Å
74I95.7Very high95Very high1 Ų121.2 Ų21.21%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-101.5124.6174.4-56.5178.5000107.6I72 V79 L82 I100 F104I72-I74 HydrophobicContact CD1-CD1 3.89Å; I72-I74 HydrophobicContact CD1-CG1 3.88Å; I72-I74 HydrophobicContact CG1-CG1 4.28Å; I74-V79 HydrophobicContact CG2-CB 3.84Å; I74-V79 HydrophobicContact CG2-CG2 3.79Å; I74-L82 HydrophobicContact CG1-CD1 3.99Å; I74-L82 HydrophobicContact CG2-CD1 4.44Å; I74-I100 HydrophobicContact CD1-CG2 3.53Å; I74-F104 HydrophobicContact CB-CD2 4.16Å; I74-F104 HydrophobicContact CB-CE2 4.31Å; I74-F104 HydrophobicContact CG2-CB 4.2Å; I74-F104 HydrophobicContact CG2-CD1 4.11Å; I74-F104 HydrophobicContact CG2-CD2 3.67Å; I74-F104 HydrophobicContact CG2-CE1 4.42Å; I74-F104 HydrophobicContact CG2-CE2 4Å; I74-F104 HydrophobicContact CG2-CG 3.73Å; I74-F104 HydrophobicContact CG2-CZ 4.38Å; I74-F104 WeakPolarHBondContact O-CE2 3.35Å
75T95.4Very high95Very high23 Ų2321.2 Ų21.214%0.14111%0.107CC..  trans-129161.2-179.672.30000109.6E77 N78 V79T75-E77 PolarHBondContact O-N 3.33Å; T75-E77 PolarHBondContact OG1-N 3.31Å; T75-N78 PolarHBondContact N-OD1 3.09Å; T75-N78 PolarHBondContact O-N 3.32Å; T75-N78 VanDerWaalsContact O-N 3.17Å; T75-N78 PolarHBondContact O-OD1 3.18Å; T75-N78 PolarHBondContact OG1-N 3.09Å; T75-V79 VanDerWaalsContact O-CB 3.26Å; T75-V79 WeakPolarHBondContact O-CB 3.18Å; T75-V79 WeakPolarHBondContact O-CG1 3.4Å; T75-V79 PolarHBondContact O-N 2.95Å
76S94.7Very high95.1Very high2 Ų219.3 Ų19.31%0.01410%0.097CC..THydrogen-bonded Turntrans-62.9-13.1175.549.40000114.2N120 C123 R282S76-N120 WeakPolarHBondContact CB-O 3.41Å; S76-N120 PolarHBondContact OG-OD1 3.26Å; S76-C123 CarbonylContact O-C 3.57Å; S76-R282 PolarHBondContact OG-NH2 3.27Å
77E93.2Very high95.1Very high51 Ų5121 Ų2124%0.23811%0.107CC..THydrogen-bonded Turntrans-84-39.5177.1-58.3156.7-15300110.8T75 Y81 C123 S127 R282 L286T75-E77 PolarHBondContact O-N 3.33Å; T75-E77 PolarHBondContact OG1-N 3.31Å; E77-Y81 WeakPolarHBondContact O-CE2 3.23Å; E77-C123 HydrophobicContact CG-CB 4.17Å; E77-S127 PolarHBondContact O-OG 2.92Å; E77-R282 IonicContact OE1-CZ 2.67Å; E77-R282 IonicContact OE1-NE 3.58Å; E77-R282 PolarHBondContact OE1-NE 3.32Å; E77-R282 IonicContact OE1-NH2 2.67Å; E77-R282 PolarHBondContact OE1-NH2 3.09Å; E77-L286 HydrophobicContact CB-CD1 4.3Å; E77-L286 HydrophobicContact CG-CD1 3.92Å
78N94.5Very high95Very high34 Ų3424.2 Ų24.218%0.18212%0.123CC..THydrogen-bonded Turntrans-99.6-19.5-176.776.69.6000115N73 T75 V80 Y81 L82N73-N78 PolarHBondContact O-ND2 3.12Å; T75-N78 PolarHBondContact N-OD1 3.09Å; T75-N78 PolarHBondContact O-N 3.32Å; T75-N78 VanDerWaalsContact O-N 3.17Å; T75-N78 PolarHBondContact O-OD1 3.18Å; T75-N78 PolarHBondContact OG1-N 3.09Å; N78-V80 VanDerWaalsContact C-N 3.27Å; N78-V80 PolarHBondContact O-N 2.81Å; N78-V80 VanDerWaalsContact O-N 3.16Å; N78-Y81 PolarHBondContact O-N 2.91Å; N78-Y81 VanDerWaalsContact O-N 3.09Å; N78-L82 PolarHBondContact O-N 3.18Å; N78-L82 WeakPolarHBondContact OD1-CD1 3.25Å
79V96.4Very high95.1Very high0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-60-33.5-169.365.20000113.5I74 T75 L82 Y83 S101 F104 L105 V124I74-V79 HydrophobicContact CG2-CB 3.84Å; I74-V79 HydrophobicContact CG2-CG2 3.79Å; T75-V79 VanDerWaalsContact O-CB 3.26Å; T75-V79 WeakPolarHBondContact O-CB 3.18Å; T75-V79 WeakPolarHBondContact O-CG1 3.4Å; T75-V79 PolarHBondContact O-N 2.95Å; V79-L82 PolarHBondContact O-N 3.14Å; V79-Y83 WeakPolarHBondContact O-CB 3.5Å; V79-Y83 PolarHBondContact O-N 3.06Å; V79-S101 WeakPolarHBondContact CG2-O 3.29Å; V79-F104 HydrophobicContact CB-CD1 3.94Å; V79-F104 HydrophobicContact CB-CE1 4.28Å; V79-F104 HydrophobicContact CG1-CD1 4.01Å; V79-F104 HydrophobicContact CG1-CE1 4.18Å; V79-F104 HydrophobicContact CG2-CB 4.11Å; V79-F104 HydrophobicContact CG2-CD1 3.76Å; V79-F104 HydrophobicContact CG2-CG 4.18Å; V79-L105 HydrophobicContact CG1-CD2 3.73Å; V79-L105 HydrophobicContact CG1-CG 4.19Å; V79-L105 HydrophobicContact CG2-CD1 4.44Å; V79-L105 HydrophobicContact CG2-CD2 4.39Å; V79-L105 HydrophobicContact CG2-CG 3.92Å; V79-V124 HydrophobicContact CG1-CG2 4.19Å
80V96.7Very high95.3Very high0 Ų026.6 Ų26.60%013%0.13CC..Hα-helixtrans-68.5-41.6179.3-164.90000111N78 Y83 A84 L105 V124 I131 V136N78-V80 VanDerWaalsContact C-N 3.27Å; N78-V80 PolarHBondContact O-N 2.81Å; N78-V80 VanDerWaalsContact O-N 3.16Å; V80-Y83 PolarHBondContact O-N 3.49Å; V80-A84 WeakPolarHBondContact O-CB 3.37Å; V80-A84 PolarHBondContact O-N 3.06Å; V80-L105 HydrophobicContact CG2-CD2 4.48Å; V80-V124 HydrophobicContact CG2-CB 4.26Å; V80-V124 HydrophobicContact CG2-CG1 3.9Å; V80-V124 HydrophobicContact CG2-CG2 4.27Å; V80-I131 HydrophobicContact CB-CD1 4.31Å; V80-I131 HydrophobicContact CG1-CD1 3.78Å; V80-V136 HydrophobicContact CG1-CG1 3.75Å; V80-V136 HydrophobicContact CG1-CG2 4.13Å
81Y95.4Very high95.4Very high18 Ų1824.9 Ų24.97%0.07112%0.122CC..Hα-helixtrans-63.4-45173-54.6-61.5000111E77 N78 Y83 A84 A85 S127 E130 I131E77-Y81 WeakPolarHBondContact O-CE2 3.23Å; N78-Y81 PolarHBondContact O-N 2.91Å; N78-Y81 VanDerWaalsContact O-N 3.09Å; Y81-Y83 PolarHBondContact O-N 2.73Å; Y81-A84 PolarHBondContact O-N 2.97Å; Y81-A85 WeakPolarHBondContact O-CB 3.28Å; Y81-A85 PolarHBondContact O-N 3.43Å; Y81-S127 WeakPolarHBondContact CE2-OG 3.14Å; Y81-S127 WeakPolarHBondContact OH-CA 3.43Å; Y81-S127 PolarHBondContact OH-OG 3.33Å; Y81-E130 HydrophobicContact CE1-CB 4.35Å; Y81-E130 VanDerWaalsContact OH-CD 3.25Å; Y81-E130 PolarHBondContact OH-OE1 3.37Å; Y81-E130 PolarHBondContact OH-OE2 3.17Å; Y81-E130 VanDerWaalsContact OH-OE2 3.1Å; Y81-I131 HydrophobicContact CD1-CD1 3.48Å; Y81-I131 VanDerWaalsContact CD1-CD1 3.48Å; Y81-I131 HydrophobicContact CD1-CG1 3.87Å; Y81-I131 HydrophobicContact CE1-CD1 3.82Å; Y81-I131 HydrophobicContact CE1-CG1 3.87Å; Y81-I131 HydrophobicContact CG-CD1 4.36Å
82L96.8Very high95.5Very high1 Ų126 Ų261%0.00513%0.126CC..Hα-helixtrans-63.4-38.9177.9-64.8178.7000112.6V62 V63 I74 N78 V79 A86V62-L82 HydrophobicContact CB-CD2 4.04Å; V62-L82 HydrophobicContact CG1-CD1 4.29Å; V62-L82 HydrophobicContact CG1-CD2 3.85Å; V63-L82 HydrophobicContact CG2-CD2 3.99Å; I74-L82 HydrophobicContact CG1-CD1 3.99Å; I74-L82 HydrophobicContact CG2-CD1 4.44Å; N78-L82 PolarHBondContact O-N 3.18Å; N78-L82 WeakPolarHBondContact OD1-CD1 3.25Å; V79-L82 PolarHBondContact O-N 3.14Å; L82-A86 WeakPolarHBondContact O-CB 3.5Å; L82-A86 PolarHBondContact O-N 2.83Å
83Y97Very high95.4Very high32 Ų3228.1 Ų28.113%0.12515%0.149CC..Hα-helixtrans-66-48.2175.7-179-94.5000111.6V79 V80 Y81 A86 D87 L98 S101 R102 L105 A135 I139V79-Y83 WeakPolarHBondContact O-CB 3.5Å; V79-Y83 PolarHBondContact O-N 3.06Å; V80-Y83 PolarHBondContact O-N 3.49Å; Y81-Y83 PolarHBondContact O-N 2.73Å; Y83-A86 PolarHBondContact O-N 3.45Å; Y83-D87 PolarHBondContact O-N 3.2Å; Y83-L98 HydrophobicContact CD2-CD1 3.64Å; Y83-L98 HydrophobicContact CE1-CD1 4.41Å; Y83-L98 HydrophobicContact CE2-CD1 3.41Å; Y83-L98 VanDerWaalsContact CE2-CD1 3.41Å; Y83-L98 HydrophobicContact CE2-CG 4.07Å; Y83-L98 HydrophobicContact CG-CD1 4.22Å; Y83-S101 WeakPolarHBondContact CA-OG 3.49Å; Y83-S101 WeakPolarHBondContact CD2-OG 3.33Å; Y83-R102 HydrophobicContact CD2-CB 4.33Å; Y83-R102 HydrophobicContact CE2-CB 3.93Å; Y83-L105 HydrophobicContact CD2-CD1 4.3Å; Y83-L105 HydrophobicContact CG-CD1 4.2Å; Y83-A135 HydrophobicContact CE1-CB 3.85Å; Y83-I139 HydrophobicContact CD1-CD1 3.25Å; Y83-I139 HydrophobicContact CE1-CD1 3.31Å; Y83-I139 HydrophobicContact CE1-CG1 4.44Å; Y83-I139 HydrophobicContact CG-CD1 3.9Å
84A96.2Very high95.3Very high3 Ų333.6 Ų33.63%0.02517%0.17CC..Hα-helixtrans-63.5-41.9177.900000112.3P54 V80 Y81 D87 L88 I131 V136P54-A84 HydrophobicContact CB-CB 3.71Å; P54-A84 HydrophobicContact CG-CB 3.75Å; V80-A84 WeakPolarHBondContact O-CB 3.37Å; V80-A84 PolarHBondContact O-N 3.06Å; Y81-A84 PolarHBondContact O-N 2.97Å; A84-D87 PolarHBondContact O-N 3.22Å; A84-L88 WeakPolarHBondContact O-CB 3.3Å; A84-L88 PolarHBondContact O-N 3.12Å; A84-I131 HydrophobicContact CB-CD1 4.06Å; A84-I131 HydrophobicContact CB-CG2 3.88Å; A84-V136 HydrophobicContact CB-CG2 3.76Å
85A95.7Very high95.1Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-61.9-42.4173.600000111.9F53 V63 Y81 L88 L89F53-A85 HydrophobicContact CE1-CB 3.66Å; F53-A85 HydrophobicContact CE2-CB 4.33Å; F53-A85 HydrophobicContact CZ-CB 3.44Å; F53-A85 VanDerWaalsContact CZ-CB 3.44Å; V63-A85 HydrophobicContact CG2-CB 4Å; Y81-A85 WeakPolarHBondContact O-CB 3.28Å; Y81-A85 PolarHBondContact O-N 3.43Å; A85-L88 PolarHBondContact O-N 3.31Å; A85-L89 VanDerWaalsContact O-CB 3.27Å; A85-L89 WeakPolarHBondContact O-CB 3.27Å; A85-L89 VanDerWaalsContact O-CG 3.29Å; A85-L89 WeakPolarHBondContact O-CG 3.25Å; A85-L89 PolarHBondContact O-N 3.14Å
86A96.7Very high95.1Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-65.5-37.3177.500000112.6L82 Y83 K90 M91 L97 L98L82-A86 WeakPolarHBondContact O-CB 3.5Å; L82-A86 PolarHBondContact O-N 2.83Å; Y83-A86 PolarHBondContact O-N 3.45Å; A86-K90 PolarHBondContact O-N 3.11Å; A86-M91 HydrophobicContact CB-CB 4.11Å; A86-M91 WeakPolarHBondContact O-CB 3.43Å; A86-M91 PolarHBondContact O-N 3.38Å; A86-L97 HydrophobicContact CB-CB 3.97Å; A86-L97 HydrophobicContact CB-CD2 4.11Å; A86-L97 HydrophobicContact CB-CG 3.93Å; A86-L98 HydrophobicContact CB-CB 3.9Å; A86-L98 HydrophobicContact CB-CD1 4.03Å
87D95.9Very high95.2Very high46 Ų4635.7 Ų35.725%0.24618%0.181CC..Hα-helixtrans-71.5-44.8176.1-167.846.1000111.4Y83 A84 L89 K90 K92 L98Y83-D87 PolarHBondContact O-N 3.2Å; A84-D87 PolarHBondContact O-N 3.22Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.3Å; D87-K90 PolarHBondContact O-N 2.97Å; D87-K92 WeakPolarHBondContact OD1-CE 3.39Å; D87-K92 IonicContact OD1-NZ 3.69Å; D87-K92 PolarHBondContact OD1-NZ 2.71Å; D87-L98 HydrophobicContact CB-CD1 3.84Å
88L94.6Very high95.4Very high73 Ų7334.5 Ų34.538%0.38218%0.176SC..Hα-helixtrans-54.3-47.1174.1176.364.6000111.9I50 F53 A84 A85 K90I50-L88 HydrophobicContact CG2-CD2 4.28Å; F53-L88 HydrophobicContact CD2-CD2 4Å; F53-L88 HydrophobicContact CE2-CD2 4.19Å; A84-L88 WeakPolarHBondContact O-CB 3.3Å; A84-L88 PolarHBondContact O-N 3.12Å; A85-L88 PolarHBondContact O-N 3.31Å; L88-K90 PolarHBondContact O-N 3.11Å
89L95.7Very high95.4Very high0 Ų036.3 Ų36.30%018%0.183CC..THydrogen-bonded Turntrans-83.110.2180-64.3174.5000113.4S35 Y37 F38 I50 F53 F60 V63 A85 D87 M91S35-L89 WeakPolarHBondContact CB-O 3.16Å; S35-L89 PolarHBondContact OG-O 2.89Å; Y37-L89 WeakPolarHBondContact CB-O 3.41Å; Y37-L89 HydrophobicContact CD1-CD2 3.44Å; Y37-L89 VanDerWaalsContact CD1-CD2 3.44Å; Y37-L89 HydrophobicContact CE1-CD2 3.76Å; Y37-L89 HydrophobicContact CG-CD2 4.07Å; F38-L89 HydrophobicContact CD2-CD2 4.47Å; F38-L89 HydrophobicContact CE1-CD2 4.23Å; F38-L89 HydrophobicContact CE2-CD1 3.96Å; F38-L89 HydrophobicContact CE2-CD2 3.7Å; F38-L89 HydrophobicContact CE2-CG 4.36Å; F38-L89 HydrophobicContact CZ-CD1 4.31Å; F38-L89 HydrophobicContact CZ-CD2 3.54Å; I50-L89 HydrophobicContact CD1-CD2 3.88Å; F53-L89 HydrophobicContact CE2-CD1 3.79Å; F53-L89 HydrophobicContact CE2-CD2 4.33Å; F53-L89 HydrophobicContact CE2-CG 4.07Å; F53-L89 HydrophobicContact CZ-CD1 3.84Å; F60-L89 HydrophobicContact CE2-CD1 4.41Å; V63-L89 HydrophobicContact CG1-CD1 3.73Å; A85-L89 VanDerWaalsContact O-CB 3.27Å; A85-L89 WeakPolarHBondContact O-CB 3.27Å; A85-L89 VanDerWaalsContact O-CG 3.29Å; A85-L89 WeakPolarHBondContact O-CG 3.25Å; A85-L89 PolarHBondContact O-N 3.14Å; D87-L89 VanDerWaalsContact C-N 3.32Å; D87-L89 PolarHBondContact O-N 3.3Å; L89-M91 HydrophobicContact CB-CG 3.78Å; L89-M91 HydrophobicContact CB-SD 4.01Å; L89-M91 HydrophobicContact CD1-SD 4.19Å; L89-M91 PolarHBondContact O-N 3.05Å
90K96.1Very high95.5Very high75 Ų7536.6 Ų36.633%0.32618%0.184SC..THydrogen-bonded Turntrans51.738.8179.8-57.5174.4173.8176.20113.2D36 E40 A86 D87 L88 K92D36-K90 HydrophobicContact CB-CB 3.94Å; D36-K90 HydrophobicContact CB-CD 4.18Å; E40-K90 IonicContact OE1-NZ 3.46Å; E40-K90 PolarHBondContact OE1-NZ 3.02Å; E40-K90 IonicContact OE2-NZ 3.66Å; E40-K90 PolarHBondContact OE2-NZ 3.14Å; A86-K90 PolarHBondContact O-N 3.11Å; D87-K90 PolarHBondContact O-N 2.97Å; L88-K90 PolarHBondContact O-N 3.11Å; K90-K92 PolarHBondContact O-N 3.24Å
91M96.5Very high95.5Very high0 Ų036.6 Ų36.60%018%0.184CC..  trans-82.457.6-177.5-57.4-179.173.800111.8K34 V63 F66 A86 L89 N96 L97 L98K34-M91 HydrophobicContact CB-CE 3.88Å; K34-M91 WeakPolarHBondContact O-CA 3.41Å; K34-M91 WeakPolarHBondContact O-CB 3.43Å; K34-M91 WeakPolarHBondContact O-CG 3.3Å; V63-M91 HydrophobicContact CG1-CE 4Å; V63-M91 HydrophobicContact CG1-SD 3.54Å; V63-M91 VanDerWaalsContact CG1-SD 3.54Å; F66-M91 HydrophobicContact CD1-CE 3.72Å; F66-M91 HydrophobicContact CE1-CE 3.97Å; A86-M91 HydrophobicContact CB-CB 4.11Å; A86-M91 WeakPolarHBondContact O-CB 3.43Å; A86-M91 PolarHBondContact O-N 3.38Å; L89-M91 HydrophobicContact CB-CG 3.78Å; L89-M91 HydrophobicContact CB-SD 4.01Å; L89-M91 HydrophobicContact CD1-SD 4.19Å; L89-M91 PolarHBondContact O-N 3.05Å; M91-N96 VanDerWaalsContact O-CG 3.3Å; M91-N96 PolarHBondContact O-ND2 3.27Å; M91-L97 HydrophobicContact CB-CB 4.43Å; M91-L97 HydrophobicContact CE-CB 3.96Å; M91-L97 HydrophobicContact CE-CD2 4.24Å; M91-L97 HydrophobicContact SD-CB 4.31Å; M91-L97 HydrophobicContact SD-CD2 4.12Å; M91-L98 VanDerWaalsContact O-CB 3.25Å; M91-L98 WeakPolarHBondContact O-CB 3.39Å; M91-L98 PolarHBondContact O-N 2.92Å
92K94Very high95.5Very high118 Ų11839.2 Ų39.251%0.51319%0.194SC..  trans-89.5166-175.2-60.8-174.8178.1-177.20110.8D87 K90 N96 L98D87-K92 WeakPolarHBondContact OD1-CE 3.39Å; D87-K92 IonicContact OD1-NZ 3.69Å; D87-K92 PolarHBondContact OD1-NZ 2.71Å; K90-K92 PolarHBondContact O-N 3.24Å; K92-N96 PolarHBondContact O-ND2 2.98Å; K92-L98 HydrophobicContact CD-CD2 4.34Å; K92-L98 HydrophobicContact CG-CD2 3.77Å
93G91.9Very high95.5Very high52 Ų5244 Ų4454%0.53621%0.212SC..SBendtrans102.7170.9178.900000114.4N96G93-N96 VanDerWaalsContact O-CB 3.31Å; G93-N96 WeakPolarHBondContact O-CB 3.35Å; G93-N96 PolarHBondContact O-N 3.02Å
94K92Very high95.5Very high176 Ų17643.4 Ų43.477%0.76521%0.21SC*.THydrogen-bonded Turntrans-66132.7-171.6-169.5-174.9173.4-174.90111.7N96 E99K94-N96 PolarHBondContact O-N 3.3Å; K94-N96 VanDerWaalsContact O-N 3.17Å; K94-E99 VanDerWaalsContact CA-OE2 3.26Å; K94-E99 WeakPolarHBondContact CA-OE2 3.36Å
95D91.9Very high95.5Very high58 Ų5843.3 Ų43.331%0.3121%0.209SC..THydrogen-bonded Turntrans54.530.5-178.7-62.6-59.6000112.8E99 R103 Y647D95-E99 PolarHBondContact N-OE2 3.44Å; D95-R103 IonicContact OD1-NH1 3.91Å; D95-R103 IonicContact OD1-NH2 3.45Å; D95-R103 PolarHBondContact OD1-NH2 3.21Å; D95-Y647 PolarHBondContact OD1-OH 3.42Å
96N95.8Very high95.5Very high13 Ų1346 Ų467%0.0722%0.223CC..SBendtrans-99.7163.8169.3-154.5-4.2000110.5K34 F66 M91 K92 G93 K94 L98 E99 I100K34-N96 PolarHBondContact O-ND2 3.48Å; F66-N96 WeakPolarHBondContact CE1-OD1 3.09Å; M91-N96 VanDerWaalsContact O-CG 3.3Å; M91-N96 PolarHBondContact O-ND2 3.27Å; K92-N96 PolarHBondContact O-ND2 2.98Å; G93-N96 VanDerWaalsContact O-CB 3.31Å; G93-N96 WeakPolarHBondContact O-CB 3.35Å; G93-N96 PolarHBondContact O-N 3.02Å; K94-N96 PolarHBondContact O-N 3.3Å; K94-N96 VanDerWaalsContact O-N 3.17Å; N96-L98 VanDerWaalsContact C-N 3.25Å; N96-L98 PolarHBondContact O-N 3.26Å; N96-L98 VanDerWaalsContact O-N 3.11Å; N96-E99 PolarHBondContact O-N 2.86Å; N96-I100 WeakPolarHBondContact O-CG1 3.34Å; N96-I100 PolarHBondContact O-N 3.25Å; N96-I100 VanDerWaalsContact O-N 3.09Å
97L96.6Very high95.5Very high0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-58.1-34.1-165.9-172.361000113.6V63 F66 I72 A86 M91 I100 S101V63-L97 HydrophobicContact CB-CD2 4.35Å; V63-L97 HydrophobicContact CG1-CD2 4.11Å; V63-L97 HydrophobicContact CG2-CD2 3.79Å; F66-L97 HydrophobicContact CD1-CB 4.05Å; F66-L97 HydrophobicContact CD2-CD1 4.27Å; F66-L97 HydrophobicContact CE1-CB 3.81Å; F66-L97 HydrophobicContact CE2-CD1 4.48Å; F66-L97 HydrophobicContact CG-CD1 4.37Å; F66-L97 HydrophobicContact CZ-CB 4.12Å; I72-L97 HydrophobicContact CD1-CD1 3.65Å; A86-L97 HydrophobicContact CB-CB 3.97Å; A86-L97 HydrophobicContact CB-CD2 4.11Å; A86-L97 HydrophobicContact CB-CG 3.93Å; M91-L97 HydrophobicContact CB-CB 4.43Å; M91-L97 HydrophobicContact CE-CB 3.96Å; M91-L97 HydrophobicContact CE-CD2 4.24Å; M91-L97 HydrophobicContact SD-CB 4.31Å; M91-L97 HydrophobicContact SD-CD2 4.12Å; L97-I100 PolarHBondContact O-N 3.12Å; L97-S101 WeakPolarHBondContact O-CB 3.33Å; L97-S101 PolarHBondContact O-N 3.01Å; L97-S101 PolarHBondContact O-OG 3.49Å
98L96.4Very high95.5Very high25 Ų2545.4 Ų45.413%0.13123%0.228CC..Hα-helixtrans-66.1-39.8178.7-170.769.1000112.6Y83 A86 D87 M91 K92 N96 S101 R102Y83-L98 HydrophobicContact CD2-CD1 3.64Å; Y83-L98 HydrophobicContact CE1-CD1 4.41Å; Y83-L98 HydrophobicContact CE2-CD1 3.41Å; Y83-L98 VanDerWaalsContact CE2-CD1 3.41Å; Y83-L98 HydrophobicContact CE2-CG 4.07Å; Y83-L98 HydrophobicContact CG-CD1 4.22Å; A86-L98 HydrophobicContact CB-CB 3.9Å; A86-L98 HydrophobicContact CB-CD1 4.03Å; D87-L98 HydrophobicContact CB-CD1 3.84Å; M91-L98 VanDerWaalsContact O-CB 3.25Å; M91-L98 WeakPolarHBondContact O-CB 3.39Å; M91-L98 PolarHBondContact O-N 2.92Å; K92-L98 HydrophobicContact CD-CD2 4.34Å; K92-L98 HydrophobicContact CG-CD2 3.77Å; N96-L98 VanDerWaalsContact C-N 3.25Å; N96-L98 PolarHBondContact O-N 3.26Å; N96-L98 VanDerWaalsContact O-N 3.11Å; L98-S101 PolarHBondContact O-OG 3.49Å; L98-R102 WeakPolarHBondContact O-CB 3.3Å; L98-R102 PolarHBondContact O-N 2.95Å; L98-R102 VanDerWaalsContact O-N 3.1Å
99E96.1Very high95.5Very high72 Ų7242.6 Ų42.634%0.33621%0.212SC..Hα-helixtrans-72.6-42.3177.4-163.4-156.6156.800110.7K94 D95 N96 R102 R103K94-E99 VanDerWaalsContact CA-OE2 3.26Å; K94-E99 WeakPolarHBondContact CA-OE2 3.36Å; D95-E99 PolarHBondContact N-OE2 3.44Å; N96-E99 PolarHBondContact O-N 2.86Å; E99-R102 PolarHBondContact O-N 3.32Å; E99-R103 VanDerWaalsContact O-CB 3.32Å; E99-R103 WeakPolarHBondContact O-CB 3.35Å; E99-R103 PolarHBondContact O-N 3.21Å; E99-R103 IonicContact OE1-CZ 3.67Å; E99-R103 IonicContact OE1-NE 3.88Å; E99-R103 IonicContact OE1-NH2 2.71Å; E99-R103 PolarHBondContact OE1-NH2 3.12Å; E99-R103 IonicContact OE2-NH2 3.61Å
100I96.9Very high95.5Very high6 Ų646.9 Ų46.93%0.03123%0.228CC..Hα-helixtrans-62.8-47.3-179.2-63.4166.3000110.5F66 I74 N96 L97 R103 F104 Y647F66-I100 HydrophobicContact CE2-CD1 3.66Å; F66-I100 HydrophobicContact CZ-CD1 3.9Å; I74-I100 HydrophobicContact CD1-CG2 3.53Å; N96-I100 WeakPolarHBondContact O-CG1 3.34Å; N96-I100 PolarHBondContact O-N 3.25Å; N96-I100 VanDerWaalsContact O-N 3.09Å; L97-I100 PolarHBondContact O-N 3.12Å; I100-R103 PolarHBondContact O-N 2.81Å; I100-F104 PolarHBondContact O-N 2.94Å; I100-Y647 HydrophobicContact CD1-CD1 3.64Å; I100-Y647 HydrophobicContact CD1-CD2 4.44Å; I100-Y647 HydrophobicContact CD1-CE1 3.48Å; I100-Y647 VanDerWaalsContact CD1-CE1 3.48Å; I100-Y647 HydrophobicContact CD1-CE2 4.32Å; I100-Y647 HydrophobicContact CD1-CG 4.12Å; I100-Y647 HydrophobicContact CG1-CD1 4.38Å; I100-Y647 HydrophobicContact CG1-CD2 4.43Å; I100-Y647 HydrophobicContact CG1-CE1 3.95Å; I100-Y647 HydrophobicContact CG1-CE2 4.02Å; I100-Y647 HydrophobicContact CG2-CD2 3.67Å; I100-Y647 HydrophobicContact CG2-CE2 3.88Å; I100-Y647 HydrophobicContact CG2-CG 4.08Å
101S97Very high95.3Very high0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-67.2-37.1177.353.10000112.5V79 Y83 L97 L98 F104 L105V79-S101 WeakPolarHBondContact CG2-O 3.29Å; Y83-S101 WeakPolarHBondContact CA-OG 3.49Å; Y83-S101 WeakPolarHBondContact CD2-OG 3.33Å; L97-S101 WeakPolarHBondContact O-CB 3.33Å; L97-S101 PolarHBondContact O-N 3.01Å; L97-S101 PolarHBondContact O-OG 3.49Å; L98-S101 PolarHBondContact O-OG 3.49Å; S101-F104 PolarHBondContact O-N 3.37Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 3.04Å
102R96.3Very high95Very high74 Ų7444 Ų4428%0.27922%0.218SC..Hα-helixtrans-61.1-47.3171.2-176.363.6-156.4-161.29.1111.9Y83 L98 E99 F104 L105 D106 D142Y83-R102 HydrophobicContact CD2-CB 4.33Å; Y83-R102 HydrophobicContact CE2-CB 3.93Å; L98-R102 WeakPolarHBondContact O-CB 3.3Å; L98-R102 PolarHBondContact O-N 2.95Å; L98-R102 VanDerWaalsContact O-N 3.1Å; E99-R102 PolarHBondContact O-N 3.32Å; R102-F104 VanDerWaalsContact C-N 3.26Å; R102-F104 PolarHBondContact O-N 2.66Å; R102-L105 WeakPolarHBondContact O-CB 3.15Å; R102-L105 PolarHBondContact O-N 3.12Å; R102-L105 VanDerWaalsContact O-N 3.09Å; R102-D106 IonicContact CZ-OD1 2.63Å; R102-D106 IonicContact NE-OD1 2.79Å; R102-D106 PolarHBondContact NE-OD1 3.3Å; R102-D106 IonicContact NE-OD2 2.69Å; R102-D106 PolarHBondContact NE-OD2 3.21Å; R102-D106 IonicContact NH2-OD1 2.7Å; R102-D106 PolarHBondContact NH2-OD1 2.91Å; R102-D106 VanDerWaalsContact O-CG 3.31Å; R102-D106 PolarHBondContact O-N 3.24Å; R102-D142 IonicContact NH1-OD2 2.96Å; R102-D142 IonicContact NH2-OD2 3.19Å
103R96.3Very high94.8Very high102 Ų10240.6 Ų40.639%0.38521%0.205SC..Hα-helixtrans-61.9-34.6-179.8-161.5-171.8-57.8146.2-5.1112D95 E99 I100 G107 Y647D95-R103 IonicContact OD1-NH1 3.91Å; D95-R103 IonicContact OD1-NH2 3.45Å; D95-R103 PolarHBondContact OD1-NH2 3.21Å; E99-R103 VanDerWaalsContact O-CB 3.32Å; E99-R103 WeakPolarHBondContact O-CB 3.35Å; E99-R103 PolarHBondContact O-N 3.21Å; E99-R103 IonicContact OE1-CZ 3.67Å; E99-R103 IonicContact OE1-NE 3.88Å; E99-R103 IonicContact OE1-NH2 2.71Å; E99-R103 PolarHBondContact OE1-NH2 3.12Å; E99-R103 IonicContact OE2-NH2 3.61Å; I100-R103 PolarHBondContact O-N 2.81Å; R103-G107 PolarHBondContact O-N 3.19Å; R103-G107 VanDerWaalsContact O-N 3.16Å; R103-Y647 PolarHBondContact NH1-OH 3.47Å
104F96.9Very high94.6Very high19 Ų1941.5 Ų41.58%0.08320%0.195CC..Hα-helixtrans-66.8-46.8171.9-172.2-77000111.6I74 V79 I100 S101 R102 D106 G107 V108 F645I74-F104 HydrophobicContact CB-CD2 4.16Å; I74-F104 HydrophobicContact CB-CE2 4.31Å; I74-F104 HydrophobicContact CG2-CB 4.2Å; I74-F104 HydrophobicContact CG2-CD1 4.11Å; I74-F104 HydrophobicContact CG2-CD2 3.67Å; I74-F104 HydrophobicContact CG2-CE1 4.42Å; I74-F104 HydrophobicContact CG2-CE2 4Å; I74-F104 HydrophobicContact CG2-CG 3.73Å; I74-F104 HydrophobicContact CG2-CZ 4.38Å; I74-F104 WeakPolarHBondContact O-CE2 3.35Å; V79-F104 HydrophobicContact CB-CD1 3.94Å; V79-F104 HydrophobicContact CB-CE1 4.28Å; V79-F104 HydrophobicContact CG1-CD1 4.01Å; V79-F104 HydrophobicContact CG1-CE1 4.18Å; V79-F104 HydrophobicContact CG2-CB 4.11Å; V79-F104 HydrophobicContact CG2-CD1 3.76Å; V79-F104 HydrophobicContact CG2-CG 4.18Å; I100-F104 PolarHBondContact O-N 2.94Å; S101-F104 PolarHBondContact O-N 3.37Å; R102-F104 VanDerWaalsContact C-N 3.26Å; R102-F104 PolarHBondContact O-N 2.66Å; F104-D106 PolarHBondContact O-N 3.17Å; F104-G107 CarbonylContact O-C 3.58Å; F104-G107 WeakPolarHBondContact O-CA 3.24Å; F104-G107 PolarHBondContact O-N 2.97Å; F104-V108 HydrophobicContact CD1-CG2 3.86Å; F104-V108 HydrophobicContact CE1-CG2 3.56Å; F104-V108 HydrophobicContact CZ-CG2 4.47Å; F104-V108 PolarHBondContact O-N 3.12Å; F104-F645 HydrophobicContact CD2-CB 4.02Å; F104-F645 AromaticContact CD2-CD2 3.79Å; F104-F645 HydrophobicContact CD2-CD2 3.79Å; F104-F645 HydrophobicContact CD2-CG 4.22Å; F104-F645 HydrophobicContact CE2-CB 4.12Å; F104-F645 AromaticContact CE2-CD2 3.73Å; F104-F645 HydrophobicContact CE2-CD2 3.73Å; F104-F645 HydrophobicContact CE2-CG 4.37Å
105L96.9Very high94.2Very high0 Ų035.6 Ų35.60%017%0.168CC..Hα-helixtrans-58.5-46.2175.4-75163.7000112.1V79 V80 Y83 S101 R102 G107 V108 F109 V124 I139V79-L105 HydrophobicContact CG1-CD2 3.73Å; V79-L105 HydrophobicContact CG1-CG 4.19Å; V79-L105 HydrophobicContact CG2-CD1 4.44Å; V79-L105 HydrophobicContact CG2-CD2 4.39Å; V79-L105 HydrophobicContact CG2-CG 3.92Å; V80-L105 HydrophobicContact CG2-CD2 4.48Å; Y83-L105 HydrophobicContact CD2-CD1 4.3Å; Y83-L105 HydrophobicContact CG-CD1 4.2Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 3.04Å; R102-L105 WeakPolarHBondContact O-CB 3.15Å; R102-L105 PolarHBondContact O-N 3.12Å; R102-L105 VanDerWaalsContact O-N 3.09Å; L105-G107 PolarHBondContact O-N 2.97Å; L105-V108 PolarHBondContact O-N 3.48Å; L105-V108 VanDerWaalsContact O-N 3.11Å; L105-F109 WeakPolarHBondContact O-CB 3.47Å; L105-F109 VanDerWaalsContact O-CG 3.26Å; L105-F109 WeakPolarHBondContact O-CG 3.39Å; L105-F109 PolarHBondContact O-N 3.29Å; L105-V124 HydrophobicContact CD2-CG1 4Å; L105-V124 HydrophobicContact CD2-CG2 3.9Å; L105-I139 HydrophobicContact CD1-CD1 3.56Å; L105-I139 HydrophobicContact CD1-CG1 4.18Å; L105-I139 HydrophobicContact CD1-CG2 4.32Å; L105-I139 HydrophobicContact CD2-CG2 4.13Å
106D96Very high93.9Very high56 Ų5636.4 Ų36.430%0.29917%0.169SC..Hα-helixtrans-62.1-26.8175.6-61.7-37.5000112.1R102 F104 R110R102-D106 IonicContact CZ-OD1 2.63Å; R102-D106 IonicContact NE-OD1 2.79Å; R102-D106 PolarHBondContact NE-OD1 3.3Å; R102-D106 IonicContact NE-OD2 2.69Å; R102-D106 PolarHBondContact NE-OD2 3.21Å; R102-D106 IonicContact NH2-OD1 2.7Å; R102-D106 PolarHBondContact NH2-OD1 2.91Å; R102-D106 VanDerWaalsContact O-CG 3.31Å; R102-D106 PolarHBondContact O-N 3.24Å; F104-D106 PolarHBondContact O-N 3.17Å; D106-R110 WeakPolarHBondContact O-CB 3.43Å; D106-R110 PolarHBondContact O-N 3.23Å
107G95.9Very high93.5Very high28 Ų2837.6 Ų37.629%0.28918%0.175SC..Hα-helixtrans-73.2-44.817100000113.2R103 F104 L105 R110 S111R103-G107 PolarHBondContact O-N 3.19Å; R103-G107 VanDerWaalsContact O-N 3.16Å; F104-G107 CarbonylContact O-C 3.58Å; F104-G107 WeakPolarHBondContact O-CA 3.24Å; F104-G107 PolarHBondContact O-N 2.97Å; L105-G107 PolarHBondContact O-N 2.97Å; G107-R110 PolarHBondContact O-N 3.4Å; G107-S111 PolarHBondContact O-N 2.81Å
108V95.8Very high93.3Very high7 Ų737.9 Ų37.94%0.04218%0.177CC..Hα-helixtrans-59.6-47.1174168.80000110.8F104 L105 R110 S111 A112 N120 V124F104-V108 HydrophobicContact CD1-CG2 3.86Å; F104-V108 HydrophobicContact CE1-CG2 3.56Å; F104-V108 HydrophobicContact CZ-CG2 4.47Å; F104-V108 PolarHBondContact O-N 3.12Å; L105-V108 PolarHBondContact O-N 3.48Å; L105-V108 VanDerWaalsContact O-N 3.11Å; V108-R110 VanDerWaalsContact C-N 3.3Å; V108-R110 PolarHBondContact O-N 3.33Å; V108-S111 PolarHBondContact O-N 2.93Å; V108-A112 WeakPolarHBondContact O-CB 3.24Å; V108-A112 PolarHBondContact O-N 3.44Å; V108-N120 HydrophobicContact CG1-CB 3.74Å; V108-N120 HydrophobicContact CG2-CB 4.26Å; V108-V124 HydrophobicContact CG1-CG2 4.13Å
109F95.6Very high93.2Very high13 Ų1336.8 Ų36.86%0.05717%0.171CC..Hα-helixtrans-59.4-41177.8-69.4-8000112L105 L113 L121 V124 I139 D142 A143 I146L105-F109 WeakPolarHBondContact O-CB 3.47Å; L105-F109 VanDerWaalsContact O-CG 3.26Å; L105-F109 WeakPolarHBondContact O-CG 3.39Å; L105-F109 PolarHBondContact O-N 3.29Å; F109-L113 WeakPolarHBondContact O-CB 3.47Å; F109-L113 VanDerWaalsContact O-CG 3.32Å; F109-L113 WeakPolarHBondContact O-CG 3.35Å; F109-L113 PolarHBondContact O-N 3.11Å; F109-L121 HydrophobicContact CD1-CD1 3.93Å; F109-L121 HydrophobicContact CE1-CD1 4.02Å; F109-V124 HydrophobicContact CE1-CG1 4.25Å; F109-I139 HydrophobicContact CZ-CG2 3.99Å; F109-D142 HydrophobicContact CD2-CB 4.49Å; F109-D142 HydrophobicContact CE2-CB 3.71Å; F109-D142 HydrophobicContact CZ-CB 4.06Å; F109-A143 HydrophobicContact CE1-CB 3.76Å; F109-A143 HydrophobicContact CZ-CB 4.03Å; F109-I146 HydrophobicContact CB-CD1 3.58Å; F109-I146 HydrophobicContact CD1-CD1 3.95Å; F109-I146 HydrophobicContact CD2-CD1 4.04Å; F109-I146 HydrophobicContact CG-CD1 3.6Å
110R94.1Very high93.1Very high91 Ų9133.8 Ų33.834%0.34316%0.157SC..Hα-helixtrans-66.9-47.8175.5-162.7-173-50.6132.920.1112.6D106 G107 V108 A112 L113 E114 F169D106-R110 WeakPolarHBondContact O-CB 3.43Å; D106-R110 PolarHBondContact O-N 3.23Å; G107-R110 PolarHBondContact O-N 3.4Å; V108-R110 VanDerWaalsContact C-N 3.3Å; V108-R110 PolarHBondContact O-N 3.33Å; R110-A112 VanDerWaalsContact C-N 3.26Å; R110-A112 PolarHBondContact O-N 3.1Å; R110-L113 PolarHBondContact O-N 3.46Å; R110-E114 WeakPolarHBondContact CD-OE1 3.47Å; R110-E114 VanDerWaalsContact CG-OE1 3.3Å; R110-E114 WeakPolarHBondContact CG-OE1 3.19Å; R110-E114 WeakPolarHBondContact O-CB 3.47Å; R110-E114 WeakPolarHBondContact O-CG 3.34Å; R110-E114 PolarHBondContact O-N 3.29Å; R110-F169 HydrophobicContact CG-CE1 4.24Å; R110-F169 HydrophobicContact CG-CZ 4.01Å
111S92.1Very high93.1Very high15 Ų1533.5 Ų33.511%0.10516%0.156CC..Hα-helixtrans-59.3-37.8176.9179.90000112G107 V108 R115 K116 D117G107-S111 PolarHBondContact O-N 2.81Å; V108-S111 PolarHBondContact O-N 2.93Å; S111-R115 PolarHBondContact O-N 2.84Å; S111-K116 PolarHBondContact O-N 3.33Å; S111-K116 WeakPolarHBondContact OG-CB 3.23Å; S111-D117 WeakPolarHBondContact OG-CB 3.48Å; S111-D117 PolarHBondContact OG-N 3.48Å; S111-D117 PolarHBondContact OG-OD2 3.05Å
112A91.6Very high93Very high0 Ų033.5 Ų33.50%016%0.156CC..Hα-helixtrans-66.9-45174.700000112.4V108 R110 E114 R115 L121 I146 L150V108-A112 WeakPolarHBondContact O-CB 3.24Å; V108-A112 PolarHBondContact O-N 3.44Å; R110-A112 VanDerWaalsContact C-N 3.26Å; R110-A112 PolarHBondContact O-N 3.1Å; A112-E114 VanDerWaalsContact C-N 3.32Å; A112-E114 PolarHBondContact O-N 3.3Å; A112-R115 WeakPolarHBondContact O-CA 3.35Å; A112-R115 PolarHBondContact O-N 3.22Å; A112-L121 HydrophobicContact CB-CB 3.96Å; A112-L121 HydrophobicContact CB-CD2 3.95Å; A112-L121 HydrophobicContact CB-CG 4.4Å; A112-I146 HydrophobicContact CB-CG2 4.25Å; A112-L150 HydrophobicContact CB-CD1 4.1Å; A112-L150 WeakPolarHBondContact O-CD1 3.44Å; A112-L150 WeakPolarHBondContact O-CD2 3.45Å
113L89.6Confident93Very high46 Ų4630 Ų3024%0.24114%0.143CC..Hα-helixtrans-63-35.2175.6-75.4168.5000113F109 R110 R115 I146 L158 F162F109-L113 WeakPolarHBondContact O-CB 3.47Å; F109-L113 VanDerWaalsContact O-CG 3.32Å; F109-L113 WeakPolarHBondContact O-CG 3.35Å; F109-L113 PolarHBondContact O-N 3.11Å; R110-L113 PolarHBondContact O-N 3.46Å; L113-R115 PolarHBondContact O-N 2.74Å; L113-I146 HydrophobicContact CD1-CD1 4.4Å; L113-I146 HydrophobicContact CD1-CG1 4.38Å; L113-I146 HydrophobicContact CD2-CG1 4.27Å; L113-I146 HydrophobicContact CD2-CG2 3.88Å; L113-I146 HydrophobicContact CG-CG1 4.31Å; L113-I146 HydrophobicContact CG-CG2 3.89Å; L113-L158 HydrophobicContact CD2-CD1 4.22Å; L113-L158 HydrophobicContact CD2-CD2 3.66Å; L113-F162 HydrophobicContact CD1-CE2 4.27Å; L113-F162 HydrophobicContact CD2-CE2 4.33Å
114E87.3Confident93Very high71 Ų7125.1 Ų25.133%0.33212%0.124SC..THydrogen-bonded Turntrans-71.7-1.5171.4-70.9175.2-152.700113.2R110 A112 K116 F169R110-E114 WeakPolarHBondContact CD-OE1 3.47Å; R110-E114 VanDerWaalsContact CG-OE1 3.3Å; R110-E114 WeakPolarHBondContact CG-OE1 3.19Å; R110-E114 WeakPolarHBondContact O-CB 3.47Å; R110-E114 WeakPolarHBondContact O-CG 3.34Å; R110-E114 PolarHBondContact O-N 3.29Å; A112-E114 VanDerWaalsContact C-N 3.32Å; A112-E114 PolarHBondContact O-N 3.3Å; E114-K116 HydrophobicContact CB-CD 4.05Å; E114-K116 HydrophobicContact CB-CG 4.19Å; E114-K116 WeakPolarHBondContact OE2-CD 3.41Å; E114-K116 VanDerWaalsContact OE2-CE 3.25Å; E114-K116 WeakPolarHBondContact OE2-CE 3.12Å; E114-K116 IonicContact OE2-NZ 3.59Å; E114-K116 PolarHBondContact OE2-NZ 3.43Å; E114-F169 HydrophobicContact CG-CE1 4.09Å; E114-F169 WeakPolarHBondContact OE1-CE1 3.28Å
115R83.9Confident92.9Very high52 Ų5224.2 Ų24.220%0.19612%0.12CC..THydrogen-bonded Turntrans50.655.1-172.2-56.1-175.680.394.9-3.9111.5S111 A112 L113 L150 F177S111-R115 PolarHBondContact O-N 2.84Å; A112-R115 WeakPolarHBondContact O-CA 3.35Å; A112-R115 PolarHBondContact O-N 3.22Å; L113-R115 PolarHBondContact O-N 2.74Å; R115-L150 HydrophobicContact CG-CD2 3.86Å; R115-L150 PolarHBondContact NH1-O 2.93Å; R115-F177 HydrophobicContact CB-CD1 4.17Å; R115-F177 HydrophobicContact CB-CD2 4.41Å; R115-F177 HydrophobicContact CB-CE1 4.38Å; R115-F177 HydrophobicContact CB-CG 4.17Å; R115-F177 WeakPolarHBondContact O-CD2 3.42Å; R115-F177 WeakPolarHBondContact O-CE2 3.47Å
116K85.6Confident92.8Very high75 Ų7524.2 Ų24.233%0.32612%0.12SC..SBendtrans-109.5-60.7174-70.1173.6177.8172.50111.3S111 E114 E173S111-K116 PolarHBondContact O-N 3.33Å; S111-K116 WeakPolarHBondContact OG-CB 3.23Å; E114-K116 HydrophobicContact CB-CD 4.05Å; E114-K116 HydrophobicContact CB-CG 4.19Å; E114-K116 WeakPolarHBondContact OE2-CD 3.41Å; E114-K116 VanDerWaalsContact OE2-CE 3.25Å; E114-K116 WeakPolarHBondContact OE2-CE 3.12Å; E114-K116 IonicContact OE2-NZ 3.59Å; E114-K116 PolarHBondContact OE2-NZ 3.43Å; K116-E173 VanDerWaalsContact CE-OE2 3.29Å; K116-E173 WeakPolarHBondContact CE-OE2 3.09Å; K116-E173 IonicContact NZ-OE2 3.05Å; K116-E173 PolarHBondContact NZ-OE2 2.99Å
117D87.5Confident92.7Very high38 Ų3821.7 Ų21.720%0.20311%0.107CC..  trans-120.666.7-175-51.5-50.1000113.9S111 V119 N120 N643S111-D117 WeakPolarHBondContact OG-CB 3.48Å; S111-D117 PolarHBondContact OG-N 3.48Å; S111-D117 PolarHBondContact OG-OD2 3.05Å; D117-V119 PolarHBondContact O-N 3.37Å; D117-N120 HydrophobicContact CB-CB 4.13Å; D117-N120 WeakPolarHBondContact CB-ND2 3.49Å; D117-N120 WeakPolarHBondContact O-CB 2.8Å; D117-N120 PolarHBondContact O-N 3.1Å; D117-N120 PolarHBondContact OD2-ND2 3Å; D117-N643 PolarHBondContact OD2-ND2 3.09Å
118I92Very high92.5Very high6 Ų620.8 Ų20.83%0.03110%0.096CC..Hα-helixtrans-59.3-31.4177.7-168.7164.5000113N120 L121 I122 L147 V182 Y185I118-N120 PolarHBondContact O-N 2.69Å; I118-L121 WeakPolarHBondContact O-CB 3.05Å; I118-L121 PolarHBondContact O-N 3.16Å; I118-I122 PolarHBondContact O-N 3.43Å; I118-I122 VanDerWaalsContact O-N 3.12Å; I118-L147 HydrophobicContact CD1-CD1 4.08Å; I118-V182 HydrophobicContact CD1-CB 4.15Å; I118-V182 HydrophobicContact CD1-CG1 3.73Å; I118-V182 HydrophobicContact CD1-CG2 3.74Å; I118-Y185 HydrophobicContact CD1-CD2 4.44Å; I118-Y185 HydrophobicContact CG2-CD1 4.1Å; I118-Y185 HydrophobicContact CG2-CD2 3.69Å; I118-Y185 HydrophobicContact CG2-CE1 3.91Å; I118-Y185 HydrophobicContact CG2-CE2 3.46Å; I118-Y185 VanDerWaalsContact CG2-CE2 3.46Å; I118-Y185 HydrophobicContact CG2-CG 4Å
119V93.9Very high92.1Very high2 Ų223 Ų231%0.01211%0.111CC..Hα-helixtrans-54.1-36173.964.70000112.7D117 L121 I122 C123 H279 L283D117-V119 PolarHBondContact O-N 3.37Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 2.86Å; V119-I122 PolarHBondContact O-N 3.29Å; V119-C123 PolarHBondContact O-N 2.73Å; V119-C123 PolarHBondContact O-SG 3.06Å; V119-H279 HydrophobicContact CB-CB 4.16Å; V119-H279 HydrophobicContact CG2-CB 4.1Å; V119-L283 HydrophobicContact CG2-CD1 4.06Å; V119-L283 HydrophobicContact CG2-CD2 4.04Å; V119-L283 HydrophobicContact CG2-CG 3.86Å
120N95Very high91.5Very high9 Ų925.4 Ų25.45%0.04812%0.123CC..Hα-helixtrans-68.1-34178.4-73.3-31.8000112S76 V108 D117 I118 V124 R282S76-N120 WeakPolarHBondContact CB-O 3.41Å; S76-N120 PolarHBondContact OG-OD1 3.26Å; V108-N120 HydrophobicContact CG1-CB 3.74Å; V108-N120 HydrophobicContact CG2-CB 4.26Å; D117-N120 HydrophobicContact CB-CB 4.13Å; D117-N120 WeakPolarHBondContact CB-ND2 3.49Å; D117-N120 WeakPolarHBondContact O-CB 2.8Å; D117-N120 PolarHBondContact O-N 3.1Å; D117-N120 PolarHBondContact OD2-ND2 3Å; I118-N120 PolarHBondContact O-N 2.69Å; N120-V124 WeakPolarHBondContact O-CG2 3.36Å; N120-V124 PolarHBondContact O-N 3.34Å; N120-V124 VanDerWaalsContact O-N 3.16Å; N120-R282 PolarHBondContact OD1-NH1 3.35Å
121L95.6Very high91.2Very high0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-69.8-39.9175.3-173.366000111.4F109 A112 I118 V119 V124 L125 A143 I146 L147 L150F109-L121 HydrophobicContact CD1-CD1 3.93Å; F109-L121 HydrophobicContact CE1-CD1 4.02Å; A112-L121 HydrophobicContact CB-CB 3.96Å; A112-L121 HydrophobicContact CB-CD2 3.95Å; A112-L121 HydrophobicContact CB-CG 4.4Å; I118-L121 WeakPolarHBondContact O-CB 3.05Å; I118-L121 PolarHBondContact O-N 3.16Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 2.86Å; L121-V124 PolarHBondContact O-N 3.24Å; L121-L125 HydrophobicContact CG-CD1 4.28Å; L121-L125 WeakPolarHBondContact O-CG 3.32Å; L121-L125 PolarHBondContact O-N 2.97Å; L121-A143 HydrophobicContact CD1-CB 3.76Å; L121-I146 HydrophobicContact CD2-CB 4.25Å; L121-I146 HydrophobicContact CD2-CG2 3.71Å; L121-L147 HydrophobicContact CD2-CB 3.83Å; L121-L147 HydrophobicContact CD2-CD1 4.33Å; L121-L150 HydrophobicContact CD2-CD1 4.12Å
122I95.8Very high90.9Very high0 Ų031.7 Ų31.70%015%0.151CC..Hα-helixtrans-61.6-48174.1-57.8-61000110.6I118 V119 V124 L125 C126 L147 Y185 L189 L283I118-I122 PolarHBondContact O-N 3.43Å; I118-I122 VanDerWaalsContact O-N 3.12Å; V119-I122 PolarHBondContact O-N 3.29Å; I122-V124 VanDerWaalsContact C-N 3.29Å; I122-V124 PolarHBondContact O-N 3.48Å; I122-L125 PolarHBondContact O-N 3.31Å; I122-L125 VanDerWaalsContact O-N 3.1Å; I122-C126 PolarHBondContact O-N 3.4Å; I122-C126 PolarHBondContact O-SG 2.96Å; I122-L147 HydrophobicContact CD1-CD1 4.24Å; I122-L147 HydrophobicContact CD1-CD2 4.03Å; I122-Y185 HydrophobicContact CG1-CD1 4.4Å; I122-L189 HydrophobicContact CD1-CD2 4.13Å; I122-L189 HydrophobicContact CD1-CG 4.44Å; I122-L189 HydrophobicContact CG2-CD2 4.26Å; I122-L283 HydrophobicContact CB-CD2 4.3Å; I122-L283 HydrophobicContact CG2-CD2 3.79Å
123C95.1Very high90.8Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-55-43.8175.7-65.70000112.3S76 E77 V119 C126 S127 L286S76-C123 CarbonylContact O-C 3.57Å; E77-C123 HydrophobicContact CG-CB 4.17Å; V119-C123 PolarHBondContact O-N 2.73Å; V119-C123 PolarHBondContact O-SG 3.06Å; C123-C126 PolarHBondContact O-N 3.47Å; C123-S127 PolarHBondContact O-N 3.47Å; C123-S127 PolarHBondContact O-OG 2.86Å; C123-L286 HydrophobicContact CB-CD1 4.18Å
124V96Very high90.7Very high0 Ų036.2 Ų36.20%018%0.178CC..Hα-helixtrans-62.3-43.7176.5166.50000111.5V79 V80 L105 V108 F109 N120 L121 I122 S127 C128 I139 A143V79-V124 HydrophobicContact CG1-CG2 4.19Å; V80-V124 HydrophobicContact CG2-CB 4.26Å; V80-V124 HydrophobicContact CG2-CG1 3.9Å; V80-V124 HydrophobicContact CG2-CG2 4.27Å; L105-V124 HydrophobicContact CD2-CG1 4Å; L105-V124 HydrophobicContact CD2-CG2 3.9Å; V108-V124 HydrophobicContact CG1-CG2 4.13Å; F109-V124 HydrophobicContact CE1-CG1 4.25Å; N120-V124 WeakPolarHBondContact O-CG2 3.36Å; N120-V124 PolarHBondContact O-N 3.34Å; N120-V124 VanDerWaalsContact O-N 3.16Å; L121-V124 PolarHBondContact O-N 3.24Å; I122-V124 VanDerWaalsContact C-N 3.29Å; I122-V124 PolarHBondContact O-N 3.48Å; V124-S127 PolarHBondContact O-N 3.16Å; V124-C128 PolarHBondContact O-N 3.25Å; V124-C128 PolarHBondContact O-SG 3.24Å; V124-I139 HydrophobicContact CG1-CG2 4.05Å; V124-A143 HydrophobicContact CG1-CB 4.41Å
125L95.8Very high90.7Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-66-39.1178.4-73.6163.9000112.4L121 I122 C128 C129 A143 L147 L189 M193L121-L125 HydrophobicContact CG-CD1 4.28Å; L121-L125 WeakPolarHBondContact O-CG 3.32Å; L121-L125 PolarHBondContact O-N 2.97Å; I122-L125 PolarHBondContact O-N 3.31Å; I122-L125 VanDerWaalsContact O-N 3.1Å; L125-C128 PolarHBondContact O-N 3.33Å; L125-C129 PolarHBondContact O-SG 2.75Å; L125-A143 HydrophobicContact CD2-CB 3.62Å; L125-A143 HydrophobicContact CG-CB 3.96Å; L125-L147 HydrophobicContact CD1-CB 4.2Å; L125-L147 HydrophobicContact CD1-CD2 3.38Å; L125-L147 HydrophobicContact CD1-CG 4.41Å; L125-L189 HydrophobicContact CB-CD2 3.71Å; L125-L189 HydrophobicContact CD1-CD2 4.05Å; L125-M193 HydrophobicContact CD2-CE 3.64Å
126C94.7Very high91.2Very high0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-58.5-53.5172.2-63.20000110.8I122 C123 C128 C129 Y188 P190 L286 L293I122-C126 PolarHBondContact O-N 3.4Å; I122-C126 PolarHBondContact O-SG 2.96Å; C123-C126 PolarHBondContact O-N 3.47Å; C126-C128 PolarHBondContact O-N 3.28Å; C126-C129 VanDerWaalsContact O-CB 3.26Å; C126-C129 WeakPolarHBondContact O-CB 3.45Å; C126-C129 PolarHBondContact O-N 3.48Å; C126-C129 PolarHBondContact O-SG 2.82Å; C126-Y188 PolarHBondContact SG-O 3.39Å; C126-P190 HydrophobicContact CB-CG 4.45Å; C126-L286 HydrophobicContact CB-CD2 4.12Å; C126-L293 HydrophobicContact CB-CD1 4.08Å
127S92.9Very high91.6Very high2 Ų233 Ų331%0.01417%0.168CC..Hα-helixtrans-67.2-20.3-179.4-59.60000114E77 Y81 C123 V124 C129E77-S127 PolarHBondContact O-OG 2.92Å; Y81-S127 WeakPolarHBondContact CE2-OG 3.14Å; Y81-S127 WeakPolarHBondContact OH-CA 3.43Å; Y81-S127 PolarHBondContact OH-OG 3.33Å; C123-S127 PolarHBondContact O-N 3.47Å; C123-S127 PolarHBondContact O-OG 2.86Å; V124-S127 PolarHBondContact O-N 3.16Å; S127-C129 VanDerWaalsContact C-N 3.3Å; S127-C129 PolarHBondContact O-N 2.69Å
128C93.5Very high91.8Very high9 Ų938 Ų386%0.06119%0.188CC..Hα-helixtrans-69.9-22.8171.4-73.20000113.6V124 L125 C126 E130 V136 C140V124-C128 PolarHBondContact O-N 3.25Å; V124-C128 PolarHBondContact O-SG 3.24Å; L125-C128 PolarHBondContact O-N 3.33Å; C126-C128 PolarHBondContact O-N 3.28Å; C128-E130 VanDerWaalsContact C-N 3.29Å; C128-E130 PolarHBondContact O-N 3.05Å; C128-V136 HydrophobicContact CB-CG1 4.07Å; C128-C140 HydrophobicContact CB-CB 3.93Å
129C86.8Confident91.9Very high54 Ų5437.8 Ų37.837%0.36519%0.187SC..SBendtrans-67.5-29.8-175.8-62.70000113.2L125 C126 S127 P190 M193L125-C129 PolarHBondContact O-SG 2.75Å; C126-C129 VanDerWaalsContact O-CB 3.26Å; C126-C129 WeakPolarHBondContact O-CB 3.45Å; C126-C129 PolarHBondContact O-N 3.48Å; C126-C129 PolarHBondContact O-SG 2.82Å; S127-C129 VanDerWaalsContact C-N 3.3Å; S127-C129 PolarHBondContact O-N 2.69Å; C129-P190 HydrophobicContact CB-CB 4.48Å; C129-P190 HydrophobicContact CB-CG 4.26Å; C129-P190 VanDerWaalsContact SG-CG 3.52Å; C129-M193 WeakPolarHBondContact SG-CG 3.47Å
130E83.2Confident92Very high64 Ų6438.3 Ų38.330%0.29919%0.19SC..SBendtrans-87.5-17.6-171.5-72.1163.8-129.700113.2Y81 C128 N290Y81-E130 HydrophobicContact CE1-CB 4.35Å; Y81-E130 VanDerWaalsContact OH-CD 3.25Å; Y81-E130 PolarHBondContact OH-OE1 3.37Å; Y81-E130 PolarHBondContact OH-OE2 3.17Å; Y81-E130 VanDerWaalsContact OH-OE2 3.1Å; C128-E130 VanDerWaalsContact C-N 3.29Å; C128-E130 PolarHBondContact O-N 3.05Å; E130-N290 VanDerWaalsContact CD-ND2 3.28Å; E130-N290 PolarHBondContact OE1-ND2 3.12Å; E130-N290 PolarHBondContact OE1-OD1 3.14Å; E130-N290 PolarHBondContact OE2-ND2 2.9Å; E130-N290 VanDerWaalsContact OE2-ND2 3.12Å
131I88.3Confident91.9Very high22 Ų2242.8 Ų42.811%0.11321%0.211CC..  trans-109.8112-167.1-47168000111.9P54 V80 Y81 A84 S133 V136P54-I131 HydrophobicContact CB-CD1 4.48Å; P54-I131 HydrophobicContact CB-CG2 4.46Å; V80-I131 HydrophobicContact CB-CD1 4.31Å; V80-I131 HydrophobicContact CG1-CD1 3.78Å; Y81-I131 HydrophobicContact CD1-CD1 3.48Å; Y81-I131 VanDerWaalsContact CD1-CD1 3.48Å; Y81-I131 HydrophobicContact CD1-CG1 3.87Å; Y81-I131 HydrophobicContact CE1-CD1 3.82Å; Y81-I131 HydrophobicContact CE1-CG1 3.87Å; Y81-I131 HydrophobicContact CG-CD1 4.36Å; A84-I131 HydrophobicContact CB-CD1 4.06Å; A84-I131 HydrophobicContact CB-CG2 3.88Å; I131-S133 PolarHBondContact O-N 3.41Å; I131-V136 HydrophobicContact CB-CB 4.49Å; I131-V136 HydrophobicContact CB-CG1 4.28Å; I131-V136 HydrophobicContact CB-CG2 4.25Å; I131-V136 HydrophobicContact CD1-CG2 4.23Å; I131-V136 HydrophobicContact CG2-CB 4.49Å; I131-V136 HydrophobicContact CG2-CG2 3.95Å
132K85.1Confident91.8Very high215 Ų21545.6 Ų45.694%0.93523%0.226SC*.  trans-82.552.4176.3-61.3175.3-175.31690112.7
133S88.9Confident91.8Very high29 Ų2945.6 Ų45.620%0.20323%0.226CC..  trans-111.6135.2178.51720000112I131 A135 V136 K137I131-S133 PolarHBondContact O-N 3.41Å; S133-A135 PolarHBondContact O-N 3.32Å; S133-A135 PolarHBondContact OG-N 3.01Å; S133-V136 WeakPolarHBondContact O-CA 3.33Å; S133-V136 PolarHBondContact O-N 3.32Å; S133-K137 PolarHBondContact O-N 2.86Å
134D88.3Confident91.8Very high112 Ų11245.8 Ų45.860%0.59923%0.227SC*.Hα-helixtrans-62-29.1176.5-70.4-28.3000113.1V136 K137D134-V136 VanDerWaalsContact C-N 3.34Å; D134-K137 WeakPolarHBondContact OD1-CD 3.37Å; D134-K137 VanDerWaalsContact OD1-CE 3.31Å; D134-K137 WeakPolarHBondContact OD1-CE 3.5Å; D134-K137 IonicContact OD1-NZ 2.66Å; D134-K137 PolarHBondContact OD1-NZ 2.96Å
135A87.2Confident91.6Very high19 Ų1949.5 Ų49.516%0.15725%0.25CS..Hα-helixtrans-69.5-34.417400000111.5Y83 S133Y83-A135 HydrophobicContact CE1-CB 3.85Å; S133-A135 PolarHBondContact O-N 3.32Å; S133-A135 PolarHBondContact OG-N 3.01Å
136V93.9Very high91.5Very high2 Ų249.8 Ų49.81%0.01225%0.251CS..Hα-helixtrans-77-31.7175.8178.30000112V80 A84 C128 I131 S133 D134 K138 I139 C140V80-V136 HydrophobicContact CG1-CG1 3.75Å; V80-V136 HydrophobicContact CG1-CG2 4.13Å; A84-V136 HydrophobicContact CB-CG2 3.76Å; C128-V136 HydrophobicContact CB-CG1 4.07Å; I131-V136 HydrophobicContact CB-CB 4.49Å; I131-V136 HydrophobicContact CB-CG1 4.28Å; I131-V136 HydrophobicContact CB-CG2 4.25Å; I131-V136 HydrophobicContact CD1-CG2 4.23Å; I131-V136 HydrophobicContact CG2-CB 4.49Å; I131-V136 HydrophobicContact CG2-CG2 3.95Å; S133-V136 WeakPolarHBondContact O-CA 3.33Å; S133-V136 PolarHBondContact O-N 3.32Å; D134-V136 VanDerWaalsContact C-N 3.34Å; V136-K138 VanDerWaalsContact C-N 3.27Å; V136-K138 PolarHBondContact O-N 3.29Å; V136-I139 PolarHBondContact O-N 2.66Å; V136-I139 VanDerWaalsContact O-N 3.11Å; V136-C140 WeakPolarHBondContact O-CB 3.36Å; V136-C140 PolarHBondContact O-N 2.68Å
137K93.1Very high91.4Very high111 Ų11149.8 Ų49.848%0.48325%0.251SS..Hα-helixtrans-53.3-44.8173.9-70.5177.9-170.8164.10111.9S133 D134 C140 E141S133-K137 PolarHBondContact O-N 2.86Å; D134-K137 WeakPolarHBondContact OD1-CD 3.37Å; D134-K137 VanDerWaalsContact OD1-CE 3.31Å; D134-K137 WeakPolarHBondContact OD1-CE 3.5Å; D134-K137 IonicContact OD1-NZ 2.66Å; D134-K137 PolarHBondContact OD1-NZ 2.96Å; K137-C140 WeakPolarHBondContact O-CB 3.22Å; K137-C140 PolarHBondContact O-N 3.08Å; K137-E141 WeakPolarHBondContact O-CG 3.4Å; K137-E141 PolarHBondContact O-N 3.17Å
138K92.5Very high91.3Very high143 Ų14350 Ų5062%0.62225%0.253SS*.Hα-helixtrans-63.6-43.3176.6-65.6-174.6178.1-175.80112.9V136 C140 E141 D142V136-K138 VanDerWaalsContact C-N 3.27Å; V136-K138 PolarHBondContact O-N 3.29Å; K138-C140 VanDerWaalsContact C-N 3.29Å; K138-C140 PolarHBondContact O-N 2.83Å; K138-E141 PolarHBondContact O-N 3.47Å; K138-D142 WeakPolarHBondContact O-CB 3.48Å; K138-D142 VanDerWaalsContact O-CG 3.27Å; K138-D142 PolarHBondContact O-N 3.14Å
139I94.9Very high91.1Very high0 Ų050.4 Ų50.40%026%0.255CS..Hα-helixtrans-60.9-41.5175-67.6164.8000110.5Y83 L105 F109 V124 V136 A143Y83-I139 HydrophobicContact CD1-CD1 3.25Å; Y83-I139 HydrophobicContact CE1-CD1 3.31Å; Y83-I139 HydrophobicContact CE1-CG1 4.44Å; Y83-I139 HydrophobicContact CG-CD1 3.9Å; L105-I139 HydrophobicContact CD1-CD1 3.56Å; L105-I139 HydrophobicContact CD1-CG1 4.18Å; L105-I139 HydrophobicContact CD1-CG2 4.32Å; L105-I139 HydrophobicContact CD2-CG2 4.13Å; F109-I139 HydrophobicContact CZ-CG2 3.99Å; V124-I139 HydrophobicContact CG1-CG2 4.05Å; V136-I139 PolarHBondContact O-N 2.66Å; V136-I139 VanDerWaalsContact O-N 3.11Å; I139-A143 WeakPolarHBondContact O-CB 3.07Å; I139-A143 PolarHBondContact O-N 2.93Å
140C95Very high91.2Very high13 Ų1348 Ų489%0.08824%0.239CC..Hα-helixtrans-65.9-41.1177-179.30000111.9C128 V136 K137 K138 T144 M193C128-C140 HydrophobicContact CB-CB 3.93Å; V136-C140 WeakPolarHBondContact O-CB 3.36Å; V136-C140 PolarHBondContact O-N 2.68Å; K137-C140 WeakPolarHBondContact O-CB 3.22Å; K137-C140 PolarHBondContact O-N 3.08Å; K138-C140 VanDerWaalsContact C-N 3.29Å; K138-C140 PolarHBondContact O-N 2.83Å; C140-T144 VanDerWaalsContact O-CB 3.25Å; C140-T144 WeakPolarHBondContact O-CB 3.31Å; C140-T144 PolarHBondContact O-N 3.48Å; C140-T144 PolarHBondContact O-OG1 3.23Å; C140-M193 WeakPolarHBondContact SG-CE 3.42Å
141E93.7Very high91.4Very high103 Ų10346.1 Ų46.148%0.48123%0.229SC..Hα-helixtrans-62.9-53.9173.3-73.9160.4-172.700111.5K137 K138 A143 T144 T145K137-E141 WeakPolarHBondContact O-CG 3.4Å; K137-E141 PolarHBondContact O-N 3.17Å; K138-E141 PolarHBondContact O-N 3.47Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.43Å; E141-T144 PolarHBondContact O-N 3.24Å; E141-T145 PolarHBondContact O-N 3.16Å; E141-T145 PolarHBondContact O-OG1 3.41Å; E141-T145 VanDerWaalsContact O-OG1 3.12Å
142D93.8Very high91.2Very high59 Ų5947 Ų4732%0.31623%0.233SC..Hα-helixtrans-52-51.2175.5-70.7-18.8000110.8R102 F109 K138 T144 T145 I146R102-D142 IonicContact NH1-OD2 2.96Å; R102-D142 IonicContact NH2-OD2 3.19Å; F109-D142 HydrophobicContact CD2-CB 4.49Å; F109-D142 HydrophobicContact CE2-CB 3.71Å; F109-D142 HydrophobicContact CZ-CB 4.06Å; K138-D142 WeakPolarHBondContact O-CB 3.48Å; K138-D142 VanDerWaalsContact O-CG 3.27Å; K138-D142 PolarHBondContact O-N 3.14Å; D142-T144 PolarHBondContact O-N 2.87Å; D142-T145 PolarHBondContact O-N 2.92Å; D142-I146 VanDerWaalsContact O-CG1 3.3Å; D142-I146 WeakPolarHBondContact O-CG1 3.37Å; D142-I146 PolarHBondContact O-N 3.14Å
143A95.5Very high90.5Very high0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-65.6-38.2-179.100000113F109 L121 V124 L125 I139 E141 L147F109-A143 HydrophobicContact CE1-CB 3.76Å; F109-A143 HydrophobicContact CZ-CB 4.03Å; L121-A143 HydrophobicContact CD1-CB 3.76Å; V124-A143 HydrophobicContact CG1-CB 4.41Å; L125-A143 HydrophobicContact CD2-CB 3.62Å; L125-A143 HydrophobicContact CG-CB 3.96Å; I139-A143 WeakPolarHBondContact O-CB 3.07Å; I139-A143 PolarHBondContact O-N 2.93Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.43Å; A143-L147 WeakPolarHBondContact O-CB 3.33Å; A143-L147 PolarHBondContact O-N 3.33Å
144T94.3Very high88.9Confident5 Ų541.9 Ų41.93%0.03122%0.223CC..Hα-helixtrans-64.6-46.2175.3-57.20000109.9C140 E141 D142 I146 L147 M148 M193 I197 I200C140-T144 VanDerWaalsContact O-CB 3.25Å; C140-T144 WeakPolarHBondContact O-CB 3.31Å; C140-T144 PolarHBondContact O-N 3.48Å; C140-T144 PolarHBondContact O-OG1 3.23Å; E141-T144 PolarHBondContact O-N 3.24Å; D142-T144 PolarHBondContact O-N 2.87Å; T144-I146 PolarHBondContact O-N 3.24Å; T144-L147 PolarHBondContact O-N 2.91Å; T144-M148 HydrophobicContact CG2-CG 4.3Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 VanDerWaalsContact O-CG 3.28Å; T144-M148 WeakPolarHBondContact O-CG 3.31Å; T144-M148 PolarHBondContact O-N 3.35Å; T144-M193 WeakPolarHBondContact OG1-CE 3.46Å; T144-I197 HydrophobicContact CG2-CD1 4.46Å; T144-I197 HydrophobicContact CG2-CG1 3.88Å; T144-I200 HydrophobicContact CG2-CD1 3.84Å
145T93.1Very high86.9Confident78 Ų7843.7 Ų43.748%0.47923%0.228SC..Hα-helixtrans-61.8-42.1178.7-61.50000111.8E141 D142 S149E141-T145 PolarHBondContact O-N 3.16Å; E141-T145 PolarHBondContact O-OG1 3.41Å; E141-T145 VanDerWaalsContact O-OG1 3.12Å; D142-T145 PolarHBondContact O-N 2.92Å; T145-S149 WeakPolarHBondContact O-CB 3.48Å; T145-S149 PolarHBondContact O-N 2.7Å
146I92.6Very high84.6Confident5 Ų549.8 Ų49.83%0.02626%0.258CS..Hα-helixtrans-61.4-50.6174.2-67.6164.9000110.2F109 A112 L113 L121 D142 T144 M148 S149 L150 F162F109-I146 HydrophobicContact CB-CD1 3.58Å; F109-I146 HydrophobicContact CD1-CD1 3.95Å; F109-I146 HydrophobicContact CD2-CD1 4.04Å; F109-I146 HydrophobicContact CG-CD1 3.6Å; A112-I146 HydrophobicContact CB-CG2 4.25Å; L113-I146 HydrophobicContact CD1-CD1 4.4Å; L113-I146 HydrophobicContact CD1-CG1 4.38Å; L113-I146 HydrophobicContact CD2-CG1 4.27Å; L113-I146 HydrophobicContact CD2-CG2 3.88Å; L113-I146 HydrophobicContact CG-CG1 4.31Å; L113-I146 HydrophobicContact CG-CG2 3.89Å; L121-I146 HydrophobicContact CD2-CB 4.25Å; L121-I146 HydrophobicContact CD2-CG2 3.71Å; D142-I146 VanDerWaalsContact O-CG1 3.3Å; D142-I146 WeakPolarHBondContact O-CG1 3.37Å; D142-I146 PolarHBondContact O-N 3.14Å; T144-I146 PolarHBondContact O-N 3.24Å; I146-M148 PolarHBondContact O-N 3.04Å; I146-S149 PolarHBondContact O-N 3.44Å; I146-S149 VanDerWaalsContact O-N 3.13Å; I146-S149 PolarHBondContact O-OG 3.35Å; I146-L150 HydrophobicContact CG2-CD1 3.83Å; I146-L150 HydrophobicContact CG2-CG 4.35Å; I146-L150 WeakPolarHBondContact O-CG 3.5Å; I146-L150 PolarHBondContact O-N 3.14Å; I146-F162 HydrophobicContact CG1-CZ 4.21Å
147L93.3Very high82.1Confident0 Ų052.7 Ų52.70%028%0.278CS..Hα-helixtrans-60.4-43.8-179.3-17858000112.2I118 L121 I122 L125 A143 T144 S149 L150 W151 V182 L186 L189 I197I118-L147 HydrophobicContact CD1-CD1 4.08Å; L121-L147 HydrophobicContact CD2-CB 3.83Å; L121-L147 HydrophobicContact CD2-CD1 4.33Å; I122-L147 HydrophobicContact CD1-CD1 4.24Å; I122-L147 HydrophobicContact CD1-CD2 4.03Å; L125-L147 HydrophobicContact CD1-CB 4.2Å; L125-L147 HydrophobicContact CD1-CD2 3.38Å; L125-L147 HydrophobicContact CD1-CG 4.41Å; A143-L147 WeakPolarHBondContact O-CB 3.33Å; A143-L147 PolarHBondContact O-N 3.33Å; T144-L147 PolarHBondContact O-N 2.91Å; L147-S149 VanDerWaalsContact C-N 3.35Å; L147-S149 PolarHBondContact O-N 2.9Å; L147-L150 PolarHBondContact O-N 3.07Å; L147-W151 WeakPolarHBondContact O-CB 3.2Å; L147-W151 PolarHBondContact O-N 2.82Å; L147-V182 HydrophobicContact CD1-CG1 3.86Å; L147-L186 HydrophobicContact CD1-CD2 4.09Å; L147-L186 HydrophobicContact CD2-CD2 3.68Å; L147-L186 HydrophobicContact CG-CD2 4Å; L147-L189 HydrophobicContact CD2-CD1 4.04Å; L147-I197 HydrophobicContact CD2-CD1 3.77Å
148M91Very high79.6Confident8 Ų850.5 Ų50.54%0.03927%0.272CS..Hα-helixtrans-57.8-45.6173.7-73-54.8-5900111.8T144 I146 L150 W151 L152 I197 I200 A201T144-M148 HydrophobicContact CG2-CG 4.3Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 VanDerWaalsContact O-CG 3.28Å; T144-M148 WeakPolarHBondContact O-CG 3.31Å; T144-M148 PolarHBondContact O-N 3.35Å; I146-M148 PolarHBondContact O-N 3.04Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 PolarHBondContact O-N 2.98Å; M148-W151 HydrophobicContact CE-CE3 4.23Å; M148-W151 HydrophobicContact CE-CZ3 4.49Å; M148-W151 PolarHBondContact O-N 3.02Å; M148-W151 HydrophobicContact SD-CE3 4.09Å; M148-W151 HydrophobicContact SD-CZ3 4.44Å; M148-L152 HydrophobicContact CE-CD1 3.42Å; M148-L152 VanDerWaalsContact CE-CD1 3.42Å; M148-L152 HydrophobicContact CE-CD2 4.46Å; M148-L152 HydrophobicContact CE-CG 3.91Å; M148-L152 WeakPolarHBondContact O-CB 3.41Å; M148-L152 WeakPolarHBondContact O-CG 3.31Å; M148-L152 PolarHBondContact O-N 3.16Å; M148-I197 HydrophobicContact SD-CB 4.33Å; M148-I197 HydrophobicContact SD-CG1 4.25Å; M148-I197 HydrophobicContact SD-CG2 3.8Å; M148-I200 HydrophobicContact CE-CG2 4.13Å; M148-I200 HydrophobicContact CG-CG2 4.2Å; M148-I200 HydrophobicContact SD-CG2 4.42Å; M148-A201 HydrophobicContact CE-CB 3.82Å
149S88.3Confident77Confident16 Ų1653.7 Ų53.711%0.11229%0.286CS..Hα-helixtrans-63.7-36.6177.976.20000112.7T145 I146 L147 H153T145-S149 WeakPolarHBondContact O-CB 3.48Å; T145-S149 PolarHBondContact O-N 2.7Å; I146-S149 PolarHBondContact O-N 3.44Å; I146-S149 VanDerWaalsContact O-N 3.13Å; I146-S149 PolarHBondContact O-OG 3.35Å; L147-S149 VanDerWaalsContact C-N 3.35Å; L147-S149 PolarHBondContact O-N 2.9Å; S149-H153 WeakPolarHBondContact O-CB 3.4Å; S149-H153 PolarHBondContact O-N 2.96Å; S149-H153 VanDerWaalsContact O-N 3.14Å
150L88.7Confident74.2Confident5 Ų556.8 Ų56.83%0.02632%0.318CS..Hα-helixtrans-72-33.6178-70172.2000112.9A112 R115 L121 I146 L147 M148 L158 V182A112-L150 HydrophobicContact CB-CD1 4.1Å; A112-L150 WeakPolarHBondContact O-CD1 3.44Å; A112-L150 WeakPolarHBondContact O-CD2 3.45Å; R115-L150 HydrophobicContact CG-CD2 3.86Å; R115-L150 PolarHBondContact NH1-O 2.93Å; L121-L150 HydrophobicContact CD2-CD1 4.12Å; I146-L150 HydrophobicContact CG2-CD1 3.83Å; I146-L150 HydrophobicContact CG2-CG 4.35Å; I146-L150 WeakPolarHBondContact O-CG 3.5Å; I146-L150 PolarHBondContact O-N 3.14Å; L147-L150 PolarHBondContact O-N 3.07Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 PolarHBondContact O-N 2.98Å; L150-L158 HydrophobicContact CD2-CD1 4.34Å; L150-V182 HydrophobicContact CB-CG2 4.5Å
151W88.6Confident71.5Confident24 Ų2460.6 Ų60.69%0.09134%0.344CS..Hα-helixtrans-77.1-51-179.6-173.129000112.3L147 M148 V182 S183 L186 I197 I198 A201 V210 A214L147-W151 WeakPolarHBondContact O-CB 3.2Å; L147-W151 PolarHBondContact O-N 2.82Å; M148-W151 HydrophobicContact CE-CE3 4.23Å; M148-W151 HydrophobicContact CE-CZ3 4.49Å; M148-W151 PolarHBondContact O-N 3.02Å; M148-W151 HydrophobicContact SD-CE3 4.09Å; M148-W151 HydrophobicContact SD-CZ3 4.44Å; W151-V182 HydrophobicContact CB-CB 4.29Å; W151-V182 HydrophobicContact CB-CG1 3.58Å; W151-V182 HydrophobicContact CG-CB 4.48Å; W151-V182 HydrophobicContact CG-CG1 4Å; W151-S183 PolarHBondContact NE1-OG 2.61Å; W151-L186 HydrophobicContact CD2-CD1 3.63Å; W151-L186 HydrophobicContact CE3-CD1 3.74Å; W151-L186 HydrophobicContact CG-CD1 4.33Å; W151-L186 HydrophobicContact CH2-CD1 3.71Å; W151-L186 HydrophobicContact CZ2-CD1 3.57Å; W151-L186 HydrophobicContact CZ3-CD1 3.78Å; W151-I197 HydrophobicContact CE3-CG2 4.15Å; W151-I197 HydrophobicContact CZ3-CG2 3.78Å; W151-I198 HydrophobicContact CH2-CD1 3.82Å; W151-I198 HydrophobicContact CZ3-CD1 4.35Å; W151-A201 HydrophobicContact CH2-CB 4.39Å; W151-A201 HydrophobicContact CZ3-CB 3.86Å; W151-V210 HydrophobicContact CZ2-CG1 3.73Å; W151-A214 HydrophobicContact CH2-CB 4.14Å; W151-A214 HydrophobicContact CZ2-CB 3.69Å
152L84Confident68.7Low39 Ų3961.2 Ų61.220%0.20435%0.345CS..Hα-helixtrans-87.4-26.2-171.7-57.5-173.4000113.9M148 Q204 V206M148-L152 HydrophobicContact CE-CD1 3.42Å; M148-L152 VanDerWaalsContact CE-CD1 3.42Å; M148-L152 HydrophobicContact CE-CD2 4.46Å; M148-L152 HydrophobicContact CE-CG 3.91Å; M148-L152 WeakPolarHBondContact O-CB 3.41Å; M148-L152 WeakPolarHBondContact O-CG 3.31Å; M148-L152 PolarHBondContact O-N 3.16Å; L152-Q204 VanDerWaalsContact CD1-OE1 3.32Å; L152-V206 HydrophobicContact CD1-CG2 3.34Å; L152-V206 HydrophobicContact CD2-CB 4.31Å; L152-V206 HydrophobicContact CD2-CG1 3.81Å; L152-V206 HydrophobicContact CD2-CG2 3.46Å; L152-V206 VanDerWaalsContact CD2-CG2 3.46Å; L152-V206 HydrophobicContact CG-CG2 4Å
153H69.6Low65.8Low86 Ų8663.5 Ų63.540%0.39837%0.365SS..SBendtrans-116.978.6-174.2-58.5-42.3000111.6S149 E155S149-H153 WeakPolarHBondContact O-CB 3.4Å; S149-H153 PolarHBondContact O-N 2.96Å; S149-H153 VanDerWaalsContact O-N 3.14Å; H153-E155 PolarHBondContact O-N 3.47Å
154G56.2Low62.7Low51 Ų5169 Ų6953%0.52640%0.401SS..  trans-52.8111.9170.200000112.1N156G154-N156 PolarHBondContact O-N 3.41Å
155E45.9Very low59.7Low150 Ų15076.7 Ų76.770%0.70144%0.437SS*.SBendtrans54.4-23.9169.8-58.9-168.3153.700119.7H153H153-E155 PolarHBondContact O-N 3.47Å
156N38.8Very low57Low147 Ų14779.3 Ų79.379%0.78645%0.453SS*.SBendtrans-108.8-12.9-162.6-73.5-48.8000116.6G154G154-N156 PolarHBondContact O-N 3.41Å
157S41.5Very low54.4Low63 Ų6383.9 Ų83.944%0.44148%0.475SS..SBendtrans-103.4-5.9-173.2-154.40000116.4K159S157-K159 PolarHBondContact O-N 2.84Å
158L41.3Very low51.3Low66 Ų6691.8 Ų91.835%0.34652%0.517SS..THydrogen-bonded Turntrans-72.810.8-172.6-85.5172.3000115.9L113 L150L113-L158 HydrophobicContact CD2-CD1 4.22Å; L113-L158 HydrophobicContact CD2-CD2 3.66Å; L150-L158 HydrophobicContact CD2-CD1 4.34Å
159K37.5Very low48.7Very low209 Ų20997.4 Ų97.491%0.90954%0.542SS*.THydrogen-bonded Turntrans-86.1-2.8-179.9-69.1-175.5179175.90115.2S157S157-K159 PolarHBondContact O-N 2.84Å
160G35.7Very low46.1Very low66 Ų66102.7 Ų102.768%0.6857%0.574SS**SBendtrans-123.9-19-168.500000118.5
161C37.8Very low43.4Very low93 Ų93109.8 Ų109.863%0.62861%0.606SS**SBendtrans-930.7-160.9-77.10000117.7
162F35.4Very low40.8Very low115 Ų115112.9 Ų112.950%0.50463%0.631SS.*SBendtrans-133.6130.9179-62.8-73.2000112.2L113 I146L113-F162 HydrophobicContact CD1-CE2 4.27Å; L113-F162 HydrophobicContact CD2-CE2 4.33Å; I146-F162 HydrophobicContact CG1-CZ 4.21Å
163S33.5Very low38.6Very low107 Ų107118.3 Ų118.375%0.74866%0.656SS**  trans-65.2133.2-177.9-172.80000111.2H165S163-H165 VanDerWaalsContact C-N 3.34Å; S163-H165 PolarHBondContact O-N 3.25Å
164P29.4Very low37Very low116 Ų116123.3 Ų123.375%0.75367%0.671SS**SBendtrans-82.773-165.834.1-37.8000112.9
165H32.1Very low35.9Very low167 Ų167129.5 Ų129.577%0.77369%0.686SS**SBendtrans-115.5112.1158.1-71.4-5.2000108.1S163S163-H165 VanDerWaalsContact C-N 3.34Å; S163-H165 PolarHBondContact O-N 3.25Å
166T36Very low35.5Very low133 Ų133129.7 Ų129.782%0.81669%0.69SS**SBendtrans56.484.1-172.951.80000116
167M37.3Very low35.7Very low101 Ų101124.6 Ų124.650%0.49866%0.661SS.*  -173.2125.1122.7-84.8-24.1179.900112.4F169M167-F169 HydrophobicContact CB-CD2 4.2Å; M167-F169 HydrophobicContact CB-CE2 3.71Å; M167-F169 HydrophobicContact CB-CZ 4.31Å; M167-F169 HydrophobicContact CG-CE2 4.3Å; M167-F169 HydrophobicContact CG-CZ 4.43Å
168N28.5Very low36Very low165 Ų165127 Ų12788%0.88268%0.678SS**PPolyproline II helixtrans-99.8116.9166.8-70.9-14.9000108.3
169F35.9Very low36.6Very low127 Ų127128.6 Ų128.656%0.55769%0.687SS**PPolyproline II helixtrans-93.7120.1177.1-76.3-83.4000111.7R110 E114 M167R110-F169 HydrophobicContact CG-CE1 4.24Å; R110-F169 HydrophobicContact CG-CZ 4.01Å; E114-F169 HydrophobicContact CG-CE1 4.09Å; E114-F169 WeakPolarHBondContact OE1-CE1 3.28Å; M167-F169 HydrophobicContact CB-CD2 4.2Å; M167-F169 HydrophobicContact CB-CE2 3.71Å; M167-F169 HydrophobicContact CB-CZ 4.31Å; M167-F169 HydrophobicContact CG-CE2 4.3Å; M167-F169 HydrophobicContact CG-CZ 4.43Å
170T35.4Very low37.9Very low127 Ų127120 Ų12078%0.77965%0.65SS**PPolyproline II helixtrans-83.7141.2174.143.70000111.7S172T170-S172 PolarHBondContact O-N 3.25Å; T170-S172 VanDerWaalsContact O-N 3.14Å
171H31.7Very low39.9Very low154 Ų154118.3 Ų118.371%0.71363%0.628SS**SBendtrans-79.487.5-177.5-80.2-145.7000112.9R174H171-R174 PolarHBondContact CE1-NH2 2.75Å; H171-R174 PolarHBondContact ND1-NH2 3.47Å; H171-R174 PolarHBondContact NE2-NH2 2.84Å
172S33.2Very low42.2Very low88 Ų88114.3 Ų114.362%0.61560%0.601SS**  trans-168.697.9165.152.50000111.9T170T170-S172 PolarHBondContact O-N 3.25Å; T170-S172 VanDerWaalsContact O-N 3.14Å
173E38.4Very low44.7Very low154 Ų154109.4 Ų109.472%0.7258%0.581SS**  trans159.156.1165.1-92.2160.8-156.400109.3K116K116-E173 VanDerWaalsContact CE-OE2 3.29Å; K116-E173 WeakPolarHBondContact CE-OE2 3.09Å; K116-E173 IonicContact NZ-OE2 3.05Å; K116-E173 PolarHBondContact NZ-OE2 2.99Å
174R35.1Very low47.4Very low191 Ų191104.3 Ų104.372%0.72155%0.545SS*.  trans-105.516.7-167.6-71.3-169.4-179.1-159.2-2115.8H171H171-R174 PolarHBondContact CE1-NH2 2.75Å; H171-R174 PolarHBondContact ND1-NH2 3.47Å; H171-R174 PolarHBondContact NE2-NH2 2.84Å
175E34.4Very low50.4Low180 Ų18098.9 Ų98.984%0.84151%0.51SS*.  trans-133120.1-177.3-64.5176.2167.600107.9
176I37.5Very low53.3Low154 Ų15490.9 Ų90.979%0.7947%0.473SS*.SBendtrans163.7-25.5156.4-88.8154.2000112.7S178I176-S178 PolarHBondContact O-N 3.24Å; I176-S178 VanDerWaalsContact O-N 3.15Å
177F42.7Very low56.1Low40 Ų4084.6 Ų84.618%0.17543%0.434CS..  trans-85.419.7-162.1-128-96.5000118.2R115 D179 E180R115-F177 HydrophobicContact CB-CD1 4.17Å; R115-F177 HydrophobicContact CB-CD2 4.41Å; R115-F177 HydrophobicContact CB-CE1 4.38Å; R115-F177 HydrophobicContact CB-CG 4.17Å; R115-F177 WeakPolarHBondContact O-CD2 3.42Å; R115-F177 WeakPolarHBondContact O-CE2 3.47Å; F177-D179 VanDerWaalsContact C-N 3.3Å; F177-D179 PolarHBondContact O-N 3.04Å; F177-E180 HydrophobicContact CD1-CB 4.12Å; F177-E180 HydrophobicContact CE1-CB 3.6Å; F177-E180 HydrophobicContact CE1-CG 4.32Å; F177-E180 HydrophobicContact CZ-CB 4.17Å; F177-E180 HydrophobicContact CZ-CG 4.44Å
178S46.3Very low58.8Low113 Ų11379.8 Ų79.879%0.7941%0.411SS*.THydrogen-bonded Turntrans-73.5-5.4-166.956.10000116.9I176I176-S178 PolarHBondContact O-N 3.24Å; I176-S178 VanDerWaalsContact O-N 3.15Å
179D54.1Low61.9Low101 Ų10172 Ų7254%0.5437%0.369SS..THydrogen-bonded Turntrans-119-15.2-176.1-100.3-49.2000115.9F177 K274F177-D179 VanDerWaalsContact C-N 3.3Å; F177-D179 PolarHBondContact O-N 3.04Å; D179-K274 WeakPolarHBondContact O-CB 3.44Å; D179-K274 WeakPolarHBondContact O-CD 3.42Å; D179-K274 IonicContact OD1-NZ 2.79Å; D179-K274 PolarHBondContact OD1-NZ 3.49Å
180E65.5Low64.6Low27 Ų2766.2 Ų66.213%0.12634%0.344CS..  trans-86.2121.4-174.5-75.3-177.2-125.300113.6F177 Y185 K276F177-E180 HydrophobicContact CD1-CB 4.12Å; F177-E180 HydrophobicContact CE1-CB 3.6Å; F177-E180 HydrophobicContact CE1-CG 4.32Å; F177-E180 HydrophobicContact CZ-CB 4.17Å; F177-E180 HydrophobicContact CZ-CG 4.44Å; E180-Y185 HydrophobicContact CB-CE2 4.46Å; E180-Y185 WeakPolarHBondContact OE2-CE2 3.19Å; E180-Y185 PolarHBondContact OE2-OH 3.09Å; E180-K276 WeakPolarHBondContact OE1-CE 3.17Å; E180-K276 IonicContact OE1-NZ 2.65Å; E180-K276 PolarHBondContact OE1-NZ 2.71Å
181S78.5Confident67.4Low31 Ų3160.4 Ų60.422%0.21731%0.308CS..  trans-90.9120.1177165.50000111.1S183 D184 Y185S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 2.9Å; S181-S183 PolarHBondContact OG-N 3.12Å; S181-D184 VanDerWaalsContact CB-CG 3.44Å; S181-D184 VanDerWaalsContact CB-OD1 3.25Å; S181-D184 WeakPolarHBondContact CB-OD1 3.3Å; S181-D184 WeakPolarHBondContact CB-OD2 3.5Å; S181-D184 WeakPolarHBondContact O-CB 3.45Å; S181-D184 PolarHBondContact O-N 3.33Å; S181-D184 VanDerWaalsContact OG-CG 3.28Å; S181-D184 PolarHBondContact OG-OD1 3.39Å; S181-Y185 WeakPolarHBondContact O-CD2 3.36Å
182V86.1Confident70.3Confident9 Ų955.6 Ų55.66%0.05530%0.301CS..Hα-helixtrans-62.7-34.4176.9177.10000111.7I118 L147 L150 W151 D184 Y185 L186I118-V182 HydrophobicContact CD1-CB 4.15Å; I118-V182 HydrophobicContact CD1-CG1 3.73Å; I118-V182 HydrophobicContact CD1-CG2 3.74Å; L147-V182 HydrophobicContact CD1-CG1 3.86Å; L150-V182 HydrophobicContact CB-CG2 4.5Å; W151-V182 HydrophobicContact CB-CB 4.29Å; W151-V182 HydrophobicContact CB-CG1 3.58Å; W151-V182 HydrophobicContact CG-CB 4.48Å; W151-V182 HydrophobicContact CG-CG1 4Å; V182-D184 PolarHBondContact O-N 2.97Å; V182-D184 VanDerWaalsContact O-N 3.13Å; V182-Y185 PolarHBondContact O-N 3.37Å; V182-L186 PolarHBondContact O-N 3.34Å
183S86.6Confident73.1Confident12 Ų1252.1 Ų52.18%0.08428%0.275CS..Hα-helixtrans-53.4-34.1176.5-53.90000112.3W151 S181 L186W151-S183 PolarHBondContact NE1-OG 2.61Å; S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 2.9Å; S181-S183 PolarHBondContact OG-N 3.12Å; S183-L186 WeakPolarHBondContact O-CB 3.5Å; S183-L186 PolarHBondContact O-N 2.87Å
184D90.9Very high75.8Confident1 Ų144.8 Ų44.81%0.00524%0.241CC..Hα-helixtrans-76.1-36.7-171.8-548.2000110.2S181 V182 L186 A187 K217 V273 K274 I275S181-D184 VanDerWaalsContact CB-CG 3.44Å; S181-D184 VanDerWaalsContact CB-OD1 3.25Å; S181-D184 WeakPolarHBondContact CB-OD1 3.3Å; S181-D184 WeakPolarHBondContact CB-OD2 3.5Å; S181-D184 WeakPolarHBondContact O-CB 3.45Å; S181-D184 PolarHBondContact O-N 3.33Å; S181-D184 VanDerWaalsContact OG-CG 3.28Å; S181-D184 PolarHBondContact OG-OD1 3.39Å; V182-D184 PolarHBondContact O-N 2.97Å; V182-D184 VanDerWaalsContact O-N 3.13Å; D184-L186 PolarHBondContact O-N 3Å; D184-A187 WeakPolarHBondContact O-CB 3.37Å; D184-A187 PolarHBondContact O-N 3.46Å; D184-K217 WeakPolarHBondContact OD1-CD 3.34Å; D184-K217 WeakPolarHBondContact OD1-CE 3.42Å; D184-K217 IonicContact OD1-NZ 2.66Å; D184-K217 PolarHBondContact OD1-NZ 3.35Å; D184-V273 HydrophobicContact CB-CG1 4.02Å; D184-V273 WeakPolarHBondContact OD2-CA 3.47Å; D184-K274 PolarHBondContact OD2-N 2.87Å; D184-I275 HydrophobicContact CB-CD1 3.83Å; D184-I275 HydrophobicContact CB-CG1 3.75Å
185Y92.4Very high78.6Confident1 Ų136.9 Ų36.90%0.00421%0.213CC..Hα-helixtrans-65-25.6173.2-73.4-79.2000113I118 I122 E180 S181 V182 A187 Y188 I275 H279 L283I118-Y185 HydrophobicContact CD1-CD2 4.44Å; I118-Y185 HydrophobicContact CG2-CD1 4.1Å; I118-Y185 HydrophobicContact CG2-CD2 3.69Å; I118-Y185 HydrophobicContact CG2-CE1 3.91Å; I118-Y185 HydrophobicContact CG2-CE2 3.46Å; I118-Y185 VanDerWaalsContact CG2-CE2 3.46Å; I118-Y185 HydrophobicContact CG2-CG 4Å; I122-Y185 HydrophobicContact CG1-CD1 4.4Å; E180-Y185 HydrophobicContact CB-CE2 4.46Å; E180-Y185 WeakPolarHBondContact OE2-CE2 3.19Å; E180-Y185 PolarHBondContact OE2-OH 3.09Å; S181-Y185 WeakPolarHBondContact O-CD2 3.36Å; V182-Y185 PolarHBondContact O-N 3.37Å; Y185-A187 PolarHBondContact O-N 3.14Å; Y185-Y188 PolarHBondContact O-N 3.01Å; Y185-Y188 VanDerWaalsContact O-N 3.1Å; Y185-I275 HydrophobicContact CD1-CG1 4.43Å; Y185-I275 HydrophobicContact CD1-CG2 4.44Å; Y185-I275 HydrophobicContact CD2-CG1 4.37Å; Y185-I275 HydrophobicContact CE1-CB 4.49Å; Y185-I275 HydrophobicContact CE1-CG1 4.25Å; Y185-I275 HydrophobicContact CE1-CG2 3.7Å; Y185-I275 HydrophobicContact CE2-CG1 4.2Å; Y185-I275 HydrophobicContact CG-CG1 4.49Å; Y185-H279 HydrophobicContact CE1-CB 4.16Å; Y185-H279 AromaticContact CE1-ND1 3.78Å; Y185-H279 AromaticContact CZ-ND1 3.68Å; Y185-H279 PolarHBondContact OH-ND1 3.31Å; Y185-L283 HydrophobicContact CD1-CD1 4.24Å; Y185-L283 HydrophobicContact CE1-CD1 4.5Å
186L93.7Very high81.4Confident0 Ų031.9 Ų31.90%019%0.188CC..G310 helixtrans-63.2-26.7176.6-55.4-176.6000112.8L147 W151 V182 S183 D184 Y188 L189 F194 I197 A214L147-L186 HydrophobicContact CD1-CD2 4.09Å; L147-L186 HydrophobicContact CD2-CD2 3.68Å; L147-L186 HydrophobicContact CG-CD2 4Å; W151-L186 HydrophobicContact CD2-CD1 3.63Å; W151-L186 HydrophobicContact CE3-CD1 3.74Å; W151-L186 HydrophobicContact CG-CD1 4.33Å; W151-L186 HydrophobicContact CH2-CD1 3.71Å; W151-L186 HydrophobicContact CZ2-CD1 3.57Å; W151-L186 HydrophobicContact CZ3-CD1 3.78Å; V182-L186 PolarHBondContact O-N 3.34Å; S183-L186 WeakPolarHBondContact O-CB 3.5Å; S183-L186 PolarHBondContact O-N 2.87Å; D184-L186 PolarHBondContact O-N 3Å; L186-Y188 PolarHBondContact O-N 3.17Å; L186-Y188 VanDerWaalsContact O-N 3.14Å; L186-L189 HydrophobicContact CB-CD1 4.33Å; L186-L189 HydrophobicContact CD2-CD1 3.89Å; L186-L189 WeakPolarHBondContact O-CB 3.28Å; L186-L189 PolarHBondContact O-N 3.49Å; L186-L189 VanDerWaalsContact O-N 3.08Å; L186-F194 HydrophobicContact CB-CD2 4.16Å; L186-F194 HydrophobicContact CB-CE2 3.99Å; L186-I197 HydrophobicContact CD1-CG2 4.36Å; L186-I197 HydrophobicContact CD2-CG2 4.48Å; L186-A214 HydrophobicContact CD1-CB 4.18Å
187A93.5Very high84Confident1 Ų124.6 Ų24.61%0.00815%0.15CC..G310 helixtrans-66-10.617600000113.6D184 Y185 R221 F268D184-A187 WeakPolarHBondContact O-CB 3.37Å; D184-A187 PolarHBondContact O-N 3.46Å; Y185-A187 PolarHBondContact O-N 3.14Å; A187-R221 WeakPolarHBondContact O-CD 3.42Å; A187-R221 PolarHBondContact O-NH1 3.12Å; A187-F268 HydrophobicContact CB-CD1 4.3Å; A187-F268 HydrophobicContact CB-CE1 3.61Å
188Y93.7Very high86.4Confident0 Ų022.7 Ų22.70%014%0.142CC..G310 helixtrans-97.36.1173.6-71.5-86.9000114.4C126 Y185 L186 F268 I275 Q280 L283 E284 Y287C126-Y188 PolarHBondContact SG-O 3.39Å; Y185-Y188 PolarHBondContact O-N 3.01Å; Y185-Y188 VanDerWaalsContact O-N 3.1Å; L186-Y188 PolarHBondContact O-N 3.17Å; L186-Y188 VanDerWaalsContact O-N 3.14Å; Y188-F268 HydrophobicContact CE2-CE1 4.4Å; Y188-F268 HydrophobicContact CE2-CE2 4.5Å; Y188-F268 AromaticContact CE2-CZ 3.59Å; Y188-F268 HydrophobicContact CE2-CZ 3.59Å; Y188-F268 AromaticContact CZ-CZ 3.85Å; Y188-I275 HydrophobicContact CD2-CD1 4.09Å; Y188-I275 HydrophobicContact CE2-CD1 3.56Å; Y188-Q280 WeakPolarHBondContact OH-CG 3.43Å; Y188-Q280 PolarHBondContact OH-NE2 3.46Å; Y188-L283 HydrophobicContact CD1-CB 3.44Å; Y188-L283 VanDerWaalsContact CD1-CB 3.44Å; Y188-L283 HydrophobicContact CD1-CD1 4.04Å; Y188-L283 HydrophobicContact CD1-CG 4.23Å; Y188-L283 HydrophobicContact CD2-CD1 3.79Å; Y188-L283 HydrophobicContact CE1-CB 3.62Å; Y188-L283 HydrophobicContact CE1-CD1 4.39Å; Y188-L283 HydrophobicContact CE2-CD1 4.17Å; Y188-L283 HydrophobicContact CG-CB 4Å; Y188-L283 HydrophobicContact CG-CD1 3.71Å; Y188-L283 HydrophobicContact CG-CG 4.3Å; Y188-E284 HydrophobicContact CE1-CG 4.28Å; Y188-E284 VanDerWaalsContact CE1-OE1 3.26Å; Y188-E284 WeakPolarHBondContact CE1-OE1 3.41Å; Y188-Y287 HydrophobicContact CD1-CE2 4.44Å; Y188-Y287 WeakPolarHBondContact O-CE2 3.32Å; Y188-Y287 PolarHBondContact O-OH 2.99Å; Y188-Y287 VanDerWaalsContact O-OH 3.11Å
189L94.4Very high88.6Confident0 Ų020.8 Ų20.80%012%0.123CC..SBendtrans-84150.5173.5-64.5170.4000111.1I122 L125 L147 L186 F194 I197 Y218 Y287I122-L189 HydrophobicContact CD1-CD2 4.13Å; I122-L189 HydrophobicContact CD1-CG 4.44Å; I122-L189 HydrophobicContact CG2-CD2 4.26Å; L125-L189 HydrophobicContact CB-CD2 3.71Å; L125-L189 HydrophobicContact CD1-CD2 4.05Å; L147-L189 HydrophobicContact CD2-CD1 4.04Å; L186-L189 HydrophobicContact CB-CD1 4.33Å; L186-L189 HydrophobicContact CD2-CD1 3.89Å; L186-L189 WeakPolarHBondContact O-CB 3.28Å; L186-L189 PolarHBondContact O-N 3.49Å; L186-L189 VanDerWaalsContact O-N 3.08Å; L189-F194 HydrophobicContact CB-CB 4.33Å; L189-I197 HydrophobicContact CD1-CD1 3.48Å; L189-I197 VanDerWaalsContact CD1-CD1 3.48Å; L189-Y218 WeakPolarHBondContact O-CE2 3.33Å; L189-Y287 PolarHBondContact O-OH 3.04Å
190P93.4Very high90.4Very high7 Ų718.1 Ų18.15%0.04511%0.109CC..  trans-69.1152.8170.9-2238.7000110.9C126 C129 G192 M193 F194 L293C126-P190 HydrophobicContact CB-CG 4.45Å; C129-P190 HydrophobicContact CB-CB 4.48Å; C129-P190 HydrophobicContact CB-CG 4.26Å; C129-P190 VanDerWaalsContact SG-CG 3.52Å; P190-G192 VanDerWaalsContact C-N 3.29Å; P190-G192 PolarHBondContact O-N 3.18Å; P190-G192 VanDerWaalsContact O-N 3.12Å; P190-M193 PolarHBondContact O-N 3.06Å; P190-F194 PolarHBondContact O-N 3.08Å; P190-L293 HydrophobicContact CB-CD2 4.24Å; P190-L293 HydrophobicContact CG-CD2 3.55Å
191L93.4Very high91.6Very high4 Ų416.9 Ų16.92%0.02110%0.103CC..Hα-helixtrans-52.6-44.7-168.3179.965.8000112.9M193 F194 L195 Y218 D296 Q303 K306 I307L191-M193 VanDerWaalsContact C-N 3.31Å; L191-M193 PolarHBondContact O-N 3.08Å; L191-F194 PolarHBondContact O-N 3.36Å; L191-L195 HydrophobicContact CD1-CD1 3.9Å; L191-L195 HydrophobicContact CD1-CG 4.05Å; L191-L195 HydrophobicContact CD2-CD1 4.48Å; L191-L195 HydrophobicContact CG-CD1 3.85Å; L191-L195 HydrophobicContact CG-CG 4.38Å; L191-L195 WeakPolarHBondContact O-CB 3.29Å; L191-L195 VanDerWaalsContact O-CG 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.19Å; L191-L195 PolarHBondContact O-N 3.02Å; L191-Y218 WeakPolarHBondContact CA-OH 3.4Å; L191-Y218 HydrophobicContact CD1-CE1 4.37Å; L191-Y218 PolarHBondContact N-OH 2.91Å; L191-D296 PolarHBondContact N-OD2 2.77Å; L191-Q303 HydrophobicContact CB-CG 4.28Å; L191-Q303 HydrophobicContact CD1-CB 4.13Å; L191-Q303 HydrophobicContact CD1-CG 4.03Å; L191-Q303 HydrophobicContact CD2-CB 4.35Å; L191-Q303 HydrophobicContact CD2-CG 3.81Å; L191-Q303 HydrophobicContact CG-CG 4.24Å; L191-K306 HydrophobicContact CD2-CB 4.38Å; L191-K306 HydrophobicContact CD2-CD 3.52Å; L191-I307 HydrophobicContact CD1-CD1 3.99Å; L191-I307 HydrophobicContact CD1-CG1 4.05Å
192G91.6Very high92.1Very high54 Ų5417.7 Ų17.756%0.55710%0.101SC*.Hα-helixtrans-61.8-35.3-18000000113.8P190 K196P190-G192 VanDerWaalsContact C-N 3.29Å; P190-G192 PolarHBondContact O-N 3.18Å; P190-G192 VanDerWaalsContact O-N 3.12Å; G192-K196 WeakPolarHBondContact O-CB 3.13Å; G192-K196 PolarHBondContact O-N 3.48Å
193M92.7Very high92.2Very high15 Ų1523.6 Ų23.67%0.07413%0.132CC..Hα-helixtrans-81.8-36.5177.1-76.2-58.6-68.300112.4L125 C129 C140 T144 P190 L191 K196 I197L125-M193 HydrophobicContact CD2-CE 3.64Å; C129-M193 WeakPolarHBondContact SG-CG 3.47Å; C140-M193 WeakPolarHBondContact SG-CE 3.42Å; T144-M193 WeakPolarHBondContact OG1-CE 3.46Å; P190-M193 PolarHBondContact O-N 3.06Å; L191-M193 VanDerWaalsContact C-N 3.31Å; L191-M193 PolarHBondContact O-N 3.08Å; M193-K196 HydrophobicContact CE-CD 4.27Å; M193-K196 PolarHBondContact O-N 2.87Å; M193-K196 HydrophobicContact SD-CD 3.91Å; M193-I197 WeakPolarHBondContact O-CB 3.3Å; M193-I197 PolarHBondContact O-N 3Å
194F95.1Very high92.3Very high0 Ų027.8 Ų27.80%015%0.151CC..Hα-helixtrans-58.2-52.2172.5-177.1-101.8000110.8L186 L189 P190 L191 K196 I197 I198 A214 Y218 I307L186-F194 HydrophobicContact CB-CD2 4.16Å; L186-F194 HydrophobicContact CB-CE2 3.99Å; L189-F194 HydrophobicContact CB-CB 4.33Å; P190-F194 PolarHBondContact O-N 3.08Å; L191-F194 PolarHBondContact O-N 3.36Å; F194-K196 VanDerWaalsContact C-N 3.33Å; F194-K196 PolarHBondContact O-N 3.46Å; F194-I197 PolarHBondContact O-N 3.32Å; F194-I197 VanDerWaalsContact O-N 3.1Å; F194-I198 HydrophobicContact CD1-CG1 4.09Å; F194-I198 HydrophobicContact CE1-CD1 4.26Å; F194-I198 HydrophobicContact CE1-CG1 3.68Å; F194-I198 HydrophobicContact CE2-CD1 4.15Å; F194-I198 HydrophobicContact CE2-CG1 4.27Å; F194-I198 HydrophobicContact CZ-CD1 3.83Å; F194-I198 HydrophobicContact CZ-CG1 3.78Å; F194-I198 WeakPolarHBondContact O-CG1 3.44Å; F194-I198 PolarHBondContact O-N 3.5Å; F194-A214 HydrophobicContact CE2-CB 4.47Å; F194-A214 HydrophobicContact CZ-CB 4.47Å; F194-Y218 HydrophobicContact CB-CD2 3.99Å; F194-Y218 HydrophobicContact CB-CE2 3.63Å; F194-Y218 HydrophobicContact CD1-CD1 4.46Å; F194-Y218 AromaticContact CD1-CD2 3.68Å; F194-Y218 HydrophobicContact CD1-CD2 3.68Å; F194-Y218 AromaticContact CD1-CE2 3.95Å; F194-Y218 HydrophobicContact CD1-CE2 3.95Å; F194-Y218 AromaticContact CD1-CG 3.99Å; F194-Y218 HydrophobicContact CD1-CG 3.99Å; F194-Y218 AromaticContact CD2-CD2 3.35Å; F194-Y218 HydrophobicContact CD2-CD2 3.35Å; F194-Y218 AromaticContact CD2-CE2 3.92Å; F194-Y218 HydrophobicContact CD2-CE2 3.92Å; F194-Y218 HydrophobicContact CD2-CG 4.16Å; F194-Y218 HydrophobicContact CE1-CD1 4.45Å; F194-Y218 AromaticContact CE1-CD2 3.96Å; F194-Y218 HydrophobicContact CE1-CD2 3.96Å; F194-Y218 AromaticContact CE1-CG 3.87Å; F194-Y218 HydrophobicContact CE1-CG 3.87Å; F194-Y218 AromaticContact CE2-CD2 3.65Å; F194-Y218 HydrophobicContact CE2-CD2 3.65Å; F194-Y218 HydrophobicContact CE2-CG 4.05Å; F194-Y218 AromaticContact CG-CD2 3.37Å; F194-Y218 HydrophobicContact CG-CD2 3.37Å; F194-Y218 AromaticContact CG-CE2 3.54Å; F194-Y218 HydrophobicContact CG-CE2 3.54Å; F194-Y218 HydrophobicContact CG-CG 4.13Å; F194-Y218 AromaticContact CZ-CD2 3.95Å; F194-Y218 HydrophobicContact CZ-CD2 3.95Å; F194-Y218 AromaticContact CZ-CG 3.91Å; F194-Y218 HydrophobicContact CZ-CG 3.91Å; F194-I307 HydrophobicContact CD1-CD1 4.06Å; F194-I307 HydrophobicContact CD1-CG1 4.41Å; F194-I307 HydrophobicContact CE1-CD1 3.96Å; F194-I307 HydrophobicContact CE1-CG1 4.33Å
195L93.9Very high92Very high25 Ų2534.9 Ų34.913%0.13119%0.188CC..Hα-helixtrans-60.5-39177.3-66.9171.4000112.6L191 I197 I198 N199 K306 I307 T310L191-L195 HydrophobicContact CD1-CD1 3.9Å; L191-L195 HydrophobicContact CD1-CG 4.05Å; L191-L195 HydrophobicContact CD2-CD1 4.48Å; L191-L195 HydrophobicContact CG-CD1 3.85Å; L191-L195 HydrophobicContact CG-CG 4.38Å; L191-L195 WeakPolarHBondContact O-CB 3.29Å; L191-L195 VanDerWaalsContact O-CG 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.19Å; L191-L195 PolarHBondContact O-N 3.02Å; L195-I197 VanDerWaalsContact C-N 3.33Å; L195-I197 PolarHBondContact O-N 3.44Å; L195-I198 PolarHBondContact O-N 3.26Å; L195-N199 WeakPolarHBondContact O-CB 3.4Å; L195-N199 VanDerWaalsContact O-CG 3.27Å; L195-N199 PolarHBondContact O-N 3.49Å; L195-N199 PolarHBondContact O-ND2 2.91Å; L195-K306 HydrophobicContact CD1-CB 3.96Å; L195-K306 HydrophobicContact CD1-CD 4.37Å; L195-I307 HydrophobicContact CD2-CG1 3.91Å; L195-T310 HydrophobicContact CD2-CG2 4.46Å
196K92.6Very high91.7Very high75 Ų7536.2 Ų36.233%0.32620%0.196SC..Hα-helixtrans-58.5-45.3173.6-175.3-173.2178.5-168.60111.3G192 M193 F194 N199 I200G192-K196 WeakPolarHBondContact O-CB 3.13Å; G192-K196 PolarHBondContact O-N 3.48Å; M193-K196 HydrophobicContact CE-CD 4.27Å; M193-K196 PolarHBondContact O-N 2.87Å; M193-K196 HydrophobicContact SD-CD 3.91Å; F194-K196 VanDerWaalsContact C-N 3.33Å; F194-K196 PolarHBondContact O-N 3.46Å; K196-N199 PolarHBondContact O-N 3.45Å; K196-I200 HydrophobicContact CG-CD1 3.95Å; K196-I200 WeakPolarHBondContact O-CD1 3.45Å; K196-I200 VanDerWaalsContact O-CG1 3.23Å; K196-I200 WeakPolarHBondContact O-CG1 3.48Å; K196-I200 PolarHBondContact O-N 3.44Å
197I92.9Very high91.4Very high0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-66.6-43178.4-83.1156.9000112T144 L147 M148 W151 L186 L189 M193 F194 L195 N199 I200 A201T144-I197 HydrophobicContact CG2-CD1 4.46Å; T144-I197 HydrophobicContact CG2-CG1 3.88Å; L147-I197 HydrophobicContact CD2-CD1 3.77Å; M148-I197 HydrophobicContact SD-CB 4.33Å; M148-I197 HydrophobicContact SD-CG1 4.25Å; M148-I197 HydrophobicContact SD-CG2 3.8Å; W151-I197 HydrophobicContact CE3-CG2 4.15Å; W151-I197 HydrophobicContact CZ3-CG2 3.78Å; L186-I197 HydrophobicContact CD1-CG2 4.36Å; L186-I197 HydrophobicContact CD2-CG2 4.48Å; L189-I197 HydrophobicContact CD1-CD1 3.48Å; L189-I197 VanDerWaalsContact CD1-CD1 3.48Å; M193-I197 WeakPolarHBondContact O-CB 3.3Å; M193-I197 PolarHBondContact O-N 3Å; F194-I197 PolarHBondContact O-N 3.32Å; F194-I197 VanDerWaalsContact O-N 3.1Å; L195-I197 VanDerWaalsContact C-N 3.33Å; L195-I197 PolarHBondContact O-N 3.44Å; I197-N199 PolarHBondContact O-N 3.27Å; I197-I200 PolarHBondContact O-N 3.14Å; I197-A201 WeakPolarHBondContact O-CB 3.45Å; I197-A201 PolarHBondContact O-N 2.99Å
198I93.5Very high91.1Very high1 Ų145.7 Ų45.71%0.00524%0.24CC..Hα-helixtrans-62.4-41.5175.7-64.5-50000111.7W151 F194 L195 A201 R202 V211 A214 T310W151-I198 HydrophobicContact CH2-CD1 3.82Å; W151-I198 HydrophobicContact CZ3-CD1 4.35Å; F194-I198 HydrophobicContact CD1-CG1 4.09Å; F194-I198 HydrophobicContact CE1-CD1 4.26Å; F194-I198 HydrophobicContact CE1-CG1 3.68Å; F194-I198 HydrophobicContact CE2-CD1 4.15Å; F194-I198 HydrophobicContact CE2-CG1 4.27Å; F194-I198 HydrophobicContact CZ-CD1 3.83Å; F194-I198 HydrophobicContact CZ-CG1 3.78Å; F194-I198 WeakPolarHBondContact O-CG1 3.44Å; F194-I198 PolarHBondContact O-N 3.5Å; L195-I198 PolarHBondContact O-N 3.26Å; I198-A201 WeakPolarHBondContact O-CB 3.34Å; I198-A201 PolarHBondContact O-N 3.12Å; I198-R202 PolarHBondContact O-N 2.66Å; I198-V211 HydrophobicContact CD1-CG1 4.37Å; I198-V211 HydrophobicContact CG2-CG1 3.78Å; I198-A214 HydrophobicContact CD1-CB 4.44Å; I198-T310 HydrophobicContact CG2-CG2 4.27Å
199N92.2Very high90.8Very high73 Ų7352.1 Ų52.139%0.3927%0.268SS..Hα-helixtrans-65.9-45.2177-70.3-20.7000111.7L195 K196 I197 A201 R202 D203L195-N199 WeakPolarHBondContact O-CB 3.4Å; L195-N199 VanDerWaalsContact O-CG 3.27Å; L195-N199 PolarHBondContact O-N 3.49Å; L195-N199 PolarHBondContact O-ND2 2.91Å; K196-N199 PolarHBondContact O-N 3.45Å; I197-N199 PolarHBondContact O-N 3.27Å; N199-A201 VanDerWaalsContact C-N 3.3Å; N199-A201 PolarHBondContact O-N 2.94Å; N199-R202 PolarHBondContact O-N 2.66Å; N199-R202 VanDerWaalsContact O-N 3.12Å; N199-D203 PolarHBondContact O-N 3.08Å
200I91.1Very high90.5Very high45 Ų4554.4 Ų54.423%0.23128%0.283CS..Hα-helixtrans-60.5-39.2175-65.6163.8000111.2T144 M148 K196 I197 R202 D203 Q204T144-I200 HydrophobicContact CG2-CD1 3.84Å; M148-I200 HydrophobicContact CE-CG2 4.13Å; M148-I200 HydrophobicContact CG-CG2 4.2Å; M148-I200 HydrophobicContact SD-CG2 4.42Å; K196-I200 HydrophobicContact CG-CD1 3.95Å; K196-I200 WeakPolarHBondContact O-CD1 3.45Å; K196-I200 VanDerWaalsContact O-CG1 3.23Å; K196-I200 WeakPolarHBondContact O-CG1 3.48Å; K196-I200 PolarHBondContact O-N 3.44Å; I197-I200 PolarHBondContact O-N 3.14Å; I200-R202 VanDerWaalsContact C-N 3.33Å; I200-R202 PolarHBondContact O-N 3.28Å; I200-D203 PolarHBondContact O-N 3.2Å; I200-Q204 WeakPolarHBondContact O-CB 3.36Å; I200-Q204 VanDerWaalsContact O-CG 3.3Å; I200-Q204 WeakPolarHBondContact O-CG 3.44Å; I200-Q204 PolarHBondContact O-N 2.7Å; I200-Q204 VanDerWaalsContact O-N 3.12Å
201A90.9Very high90.4Very high0 Ų054.1 Ų54.10%028%0.28CS..Hα-helixtrans-61.6-40.3175.700000112.1M148 W151 I197 I198 N199 Q204 N205 V206 V211M148-A201 HydrophobicContact CE-CB 3.82Å; W151-A201 HydrophobicContact CH2-CB 4.39Å; W151-A201 HydrophobicContact CZ3-CB 3.86Å; I197-A201 WeakPolarHBondContact O-CB 3.45Å; I197-A201 PolarHBondContact O-N 2.99Å; I198-A201 WeakPolarHBondContact O-CB 3.34Å; I198-A201 PolarHBondContact O-N 3.12Å; N199-A201 VanDerWaalsContact C-N 3.3Å; N199-A201 PolarHBondContact O-N 2.94Å; A201-Q204 CarbonylContact O-C 3.53Å; A201-Q204 PolarHBondContact O-N 3.07Å; A201-N205 PolarHBondContact O-N 3.25Å; A201-V206 HydrophobicContact CB-CB 4.33Å; A201-V206 HydrophobicContact CB-CG2 4.1Å; A201-V206 WeakPolarHBondContact O-CB 3.5Å; A201-V206 WeakPolarHBondContact O-CG2 3.41Å; A201-V206 PolarHBondContact O-N 3.16Å; A201-V206 VanDerWaalsContact O-N 3.14Å; A201-V211 HydrophobicContact CB-CG2 4.43Å
202R88.8Confident90.2Very high49 Ų4954.2 Ų54.219%0.18528%0.281CS..Hα-helixtrans-73-38.8177.5-75.3-167.5176.8133.3-5.6113.7I198 N199 I200 Q204 N205 E208 V211 T310I198-R202 PolarHBondContact O-N 2.66Å; N199-R202 PolarHBondContact O-N 2.66Å; N199-R202 VanDerWaalsContact O-N 3.12Å; I200-R202 VanDerWaalsContact C-N 3.33Å; I200-R202 PolarHBondContact O-N 3.28Å; R202-Q204 PolarHBondContact O-N 2.82Å; R202-N205 WeakPolarHBondContact O-CA 3.33Å; R202-N205 PolarHBondContact O-N 3.23Å; R202-E208 IonicContact CZ-OE1 2.74Å; R202-E208 IonicContact CZ-OE2 2.87Å; R202-E208 IonicContact NE-OE1 3.25Å; R202-E208 IonicContact NE-OE2 2.84Å; R202-E208 PolarHBondContact NE-OE2 3.38Å; R202-E208 IonicContact NH2-OE1 2.74Å; R202-E208 PolarHBondContact NH2-OE1 2.96Å; R202-E208 IonicContact NH2-OE2 2.64Å; R202-E208 PolarHBondContact NH2-OE2 3.05Å; R202-V211 HydrophobicContact CG-CG2 4.43Å; R202-T310 PolarHBondContact NH1-O 3.28Å
203D89.5Confident90.2Very high132 Ų13253.4 Ų53.471%0.70626%0.264SS*.Hα-helixtrans-59.6-28171.9-67.5-23000111.4N199 I200 N205N199-D203 PolarHBondContact O-N 3.08Å; I200-D203 PolarHBondContact O-N 3.2Å; D203-N205 VanDerWaalsContact C-N 3.34Å
204Q87.9Confident90.1Very high101 Ų10152.7 Ų52.747%0.47226%0.26SS..THydrogen-bonded Turntrans-86.56.2173.8-67.4177.61400114.4L152 I200 A201 R202 V206L152-Q204 VanDerWaalsContact CD1-OE1 3.32Å; I200-Q204 WeakPolarHBondContact O-CB 3.36Å; I200-Q204 VanDerWaalsContact O-CG 3.3Å; I200-Q204 WeakPolarHBondContact O-CG 3.44Å; I200-Q204 PolarHBondContact O-N 2.7Å; I200-Q204 VanDerWaalsContact O-N 3.12Å; A201-Q204 CarbonylContact O-C 3.53Å; A201-Q204 PolarHBondContact O-N 3.07Å; R202-Q204 PolarHBondContact O-N 2.82Å; Q204-V206 VanDerWaalsContact C-N 3.33Å; Q204-V206 HydrophobicContact CB-CG2 4.49Å; Q204-V206 PolarHBondContact O-N 3.15Å
205N85.4Confident90.1Very high149 Ų14952.8 Ų52.880%0.79726%0.261SS*.THydrogen-bonded Turntrans5638.7179.9-59.1-86.3000114.5A201 R202 D203A201-N205 PolarHBondContact O-N 3.25Å; R202-N205 WeakPolarHBondContact O-CA 3.33Å; R202-N205 PolarHBondContact O-N 3.23Å; D203-N205 VanDerWaalsContact C-N 3.34Å
206V86.5Confident90Very high29 Ų2951.6 Ų51.618%0.17626%0.255CS..  trans-61.7146.9173.3173.40000111L152 A201 Q204 E208 V210 V211L152-V206 HydrophobicContact CD1-CG2 3.34Å; L152-V206 HydrophobicContact CD2-CB 4.31Å; L152-V206 HydrophobicContact CD2-CG1 3.81Å; L152-V206 HydrophobicContact CD2-CG2 3.46Å; L152-V206 VanDerWaalsContact CD2-CG2 3.46Å; L152-V206 HydrophobicContact CG-CG2 4Å; A201-V206 HydrophobicContact CB-CB 4.33Å; A201-V206 HydrophobicContact CB-CG2 4.1Å; A201-V206 WeakPolarHBondContact O-CB 3.5Å; A201-V206 WeakPolarHBondContact O-CG2 3.41Å; A201-V206 PolarHBondContact O-N 3.16Å; A201-V206 VanDerWaalsContact O-N 3.14Å; Q204-V206 VanDerWaalsContact C-N 3.33Å; Q204-V206 HydrophobicContact CB-CG2 4.49Å; Q204-V206 PolarHBondContact O-N 3.15Å; V206-E208 PolarHBondContact O-N 2.71Å; V206-V210 HydrophobicContact CG1-CB 4.03Å; V206-V210 HydrophobicContact CG1-CG1 4.32Å; V206-V211 HydrophobicContact CG1-CG2 4.34Å
207E85.8Confident90Very high142 Ų14248.8 Ų48.866%0.66424%0.242SC*.  trans-55.7121.4174.1-69.1-171-167.400111K209 V210E207-K209 PolarHBondContact O-N 3.24Å; E207-V210 HydrophobicContact CB-CG2 4.28Å; E207-V210 WeakPolarHBondContact O-CB 3.35Å; E207-V210 PolarHBondContact O-N 3.08Å
208E87.9Confident90.1Very high58 Ų5849 Ų4927%0.27124%0.243SC..Hα-helixtrans-56.2-25.4-176.5-173.666.8-173.900112.6R202 V206 V210 V211 L212 P312R202-E208 IonicContact CZ-OE1 2.74Å; R202-E208 IonicContact CZ-OE2 2.87Å; R202-E208 IonicContact NE-OE1 3.25Å; R202-E208 IonicContact NE-OE2 2.84Å; R202-E208 PolarHBondContact NE-OE2 3.38Å; R202-E208 IonicContact NH2-OE1 2.74Å; R202-E208 PolarHBondContact NH2-OE1 2.96Å; R202-E208 IonicContact NH2-OE2 2.64Å; R202-E208 PolarHBondContact NH2-OE2 3.05Å; V206-E208 PolarHBondContact O-N 2.71Å; E208-V210 VanDerWaalsContact C-N 3.33Å; E208-V210 PolarHBondContact O-N 3.21Å; E208-V211 WeakPolarHBondContact O-CB 3.47Å; E208-V211 PolarHBondContact O-N 2.82Å; E208-L212 HydrophobicContact CG-CD1 4Å; E208-L212 HydrophobicContact CG-CG 4.2Å; E208-L212 WeakPolarHBondContact O-CB 3.39Å; E208-L212 VanDerWaalsContact O-CG 3.24Å; E208-L212 WeakPolarHBondContact O-CG 3.4Å; E208-L212 PolarHBondContact O-N 3.29Å; E208-P312 WeakPolarHBondContact OE1-CD 3.22Å
209K87.8Confident90.1Very high135 Ų13548.9 Ų48.959%0.58724%0.243SC*.Hα-helixtrans-57.6-40.2171.4-70.8-170.9175.6-174.50113.6E207 L212 D213 F320E207-K209 PolarHBondContact O-N 3.24Å; K209-L212 PolarHBondContact O-N 2.82Å; K209-D213 WeakPolarHBondContact O-CB 3.5Å; K209-D213 PolarHBondContact O-N 3.15Å; K209-F320 HydrophobicContact CB-CZ 3.79Å; K209-F320 HydrophobicContact CG-CZ 4.02Å; K209-F320 WeakPolarHBondContact O-CE1 3.37Å; K209-F320 WeakPolarHBondContact O-CZ 3.46Å
210V87.9Confident90.1Very high49 Ų4945.4 Ų45.430%0.29722%0.224SC..Hα-helixtrans-70.9-37.3179-179.20000110.4W151 V206 E207 E208 A214W151-V210 HydrophobicContact CZ2-CG1 3.73Å; V206-V210 HydrophobicContact CG1-CB 4.03Å; V206-V210 HydrophobicContact CG1-CG1 4.32Å; E207-V210 HydrophobicContact CB-CG2 4.28Å; E207-V210 WeakPolarHBondContact O-CB 3.35Å; E207-V210 PolarHBondContact O-N 3.08Å; E208-V210 VanDerWaalsContact C-N 3.33Å; E208-V210 PolarHBondContact O-N 3.21Å; V210-A214 PolarHBondContact O-N 2.97Å
211V90.3Very high90.2Very high0 Ų043.9 Ų43.90%022%0.216CC..Hα-helixtrans-65.7-44.9174.1173.20000111.2I198 A201 R202 V206 E208 A214 C215I198-V211 HydrophobicContact CD1-CG1 4.37Å; I198-V211 HydrophobicContact CG2-CG1 3.78Å; A201-V211 HydrophobicContact CB-CG2 4.43Å; R202-V211 HydrophobicContact CG-CG2 4.43Å; V206-V211 HydrophobicContact CG1-CG2 4.34Å; E208-V211 WeakPolarHBondContact O-CB 3.47Å; E208-V211 PolarHBondContact O-N 2.82Å; V211-A214 PolarHBondContact O-N 3.49Å; V211-C215 WeakPolarHBondContact O-CB 3.49Å; V211-C215 PolarHBondContact O-N 3.38Å; V211-C215 PolarHBondContact O-SG 3.45Å
212L91Very high90.2Very high6 Ų644 Ų443%0.03122%0.216CC..Hα-helixtrans-66.4-41.1179.1-70.9168.4000112.4E208 K209 C215 A216 L311 D316 I317 F320E208-L212 HydrophobicContact CG-CD1 4Å; E208-L212 HydrophobicContact CG-CG 4.2Å; E208-L212 WeakPolarHBondContact O-CB 3.39Å; E208-L212 VanDerWaalsContact O-CG 3.24Å; E208-L212 WeakPolarHBondContact O-CG 3.4Å; E208-L212 PolarHBondContact O-N 3.29Å; K209-L212 PolarHBondContact O-N 2.82Å; L212-C215 PolarHBondContact O-N 3.37Å; L212-A216 WeakPolarHBondContact O-CB 3.38Å; L212-A216 PolarHBondContact O-N 3.47Å; L212-L311 HydrophobicContact CD2-CD1 4.02Å; L212-L311 HydrophobicContact CD2-CD2 4.11Å; L212-D316 HydrophobicContact CD1-CB 3.82Å; L212-I317 HydrophobicContact CD2-CB 4.19Å; L212-I317 HydrophobicContact CD2-CG1 4.43Å; L212-F320 HydrophobicContact CB-CD2 3.74Å; L212-F320 HydrophobicContact CB-CE2 3.7Å; L212-F320 HydrophobicContact CB-CG 4.46Å; L212-F320 HydrophobicContact CB-CZ 4.39Å; L212-F320 HydrophobicContact CD1-CE2 4.1Å
213D90Very high90.3Very high37 Ų3741.6 Ų41.620%0.19821%0.207CC..Hα-helixtrans-57.4-48.4172.6176.368.4000111.8K209 C215 A216 K217 F320K209-D213 WeakPolarHBondContact O-CB 3.5Å; K209-D213 PolarHBondContact O-N 3.15Å; D213-C215 PolarHBondContact O-N 3.39Å; D213-A216 PolarHBondContact O-N 3.49Å; D213-K217 VanDerWaalsContact CG-NZ 3.29Å; D213-K217 WeakPolarHBondContact O-CB 3.33Å; D213-K217 WeakPolarHBondContact O-CG 3.33Å; D213-K217 PolarHBondContact O-N 3.05Å; D213-K217 WeakPolarHBondContact OD1-CE 3.24Å; D213-K217 IonicContact OD1-NZ 3.4Å; D213-K217 PolarHBondContact OD1-NZ 2.6Å; D213-K217 WeakPolarHBondContact OD2-CE 3.41Å; D213-K217 IonicContact OD2-NZ 2.79Å; D213-K217 PolarHBondContact OD2-NZ 3.49Å; D213-F320 HydrophobicContact CB-CD1 3.7Å; D213-F320 HydrophobicContact CB-CE1 3.92Å
214A91.8Very high90.3Very high0 Ų036.6 Ų36.60%018%0.181CC..Hα-helixtrans-63.4-40.1177.100000112.4W151 L186 F194 I198 V210 V211 Y218W151-A214 HydrophobicContact CH2-CB 4.14Å; W151-A214 HydrophobicContact CZ2-CB 3.69Å; L186-A214 HydrophobicContact CD1-CB 4.18Å; F194-A214 HydrophobicContact CE2-CB 4.47Å; F194-A214 HydrophobicContact CZ-CB 4.47Å; I198-A214 HydrophobicContact CD1-CB 4.44Å; V210-A214 PolarHBondContact O-N 2.97Å; V211-A214 PolarHBondContact O-N 3.49Å; A214-Y218 VanDerWaalsContact O-CB 3.3Å; A214-Y218 WeakPolarHBondContact O-CB 3.44Å; A214-Y218 PolarHBondContact O-N 2.95Å
215C93.5Very high90.3Very high2 Ų233.2 Ų33.21%0.01416%0.164CC..Hα-helixtrans-66.4-42175.9-66.80000112.3V211 L212 D213 Y218 L219 I307 I317V211-C215 WeakPolarHBondContact O-CB 3.49Å; V211-C215 PolarHBondContact O-N 3.38Å; V211-C215 PolarHBondContact O-SG 3.45Å; L212-C215 PolarHBondContact O-N 3.37Å; D213-C215 PolarHBondContact O-N 3.39Å; C215-Y218 PolarHBondContact O-N 3.02Å; C215-L219 WeakPolarHBondContact O-CB 3.29Å; C215-L219 WeakPolarHBondContact O-CG 3.46Å; C215-L219 PolarHBondContact O-N 3.26Å; C215-I307 HydrophobicContact CB-CG2 4.14Å; C215-I317 HydrophobicContact CB-CD1 4.44Å
216A93Very high90.2Very high0 Ų028.6 Ų28.60%014%0.136CC..Hα-helixtrans-61.8-45.2177.400000111.5L212 D213 G220 L271 I317 F320 I321 W325L212-A216 WeakPolarHBondContact O-CB 3.38Å; L212-A216 PolarHBondContact O-N 3.47Å; D213-A216 PolarHBondContact O-N 3.49Å; A216-G220 PolarHBondContact O-N 3.42Å; A216-L271 HydrophobicContact CB-CD1 4.43Å; A216-I317 HydrophobicContact CB-CD1 4.2Å; A216-I317 HydrophobicContact CB-CG1 4.01Å; A216-F320 HydrophobicContact CB-CB 3.74Å; A216-I321 HydrophobicContact CB-CG2 3.86Å; A216-W325 PolarHBondContact O-NE1 3.4Å
217K92.4Very high90.1Very high16 Ų1630.2 Ų30.27%0.0714%0.144CC..Hα-helixtrans-64.1-49.3175.1-72.6168.3179.3168.90111.9D184 D213 L219 G220 R221 F268 L271 N272 V273D184-K217 WeakPolarHBondContact OD1-CD 3.34Å; D184-K217 WeakPolarHBondContact OD1-CE 3.42Å; D184-K217 IonicContact OD1-NZ 2.66Å; D184-K217 PolarHBondContact OD1-NZ 3.35Å; D213-K217 VanDerWaalsContact CG-NZ 3.29Å; D213-K217 WeakPolarHBondContact O-CB 3.33Å; D213-K217 WeakPolarHBondContact O-CG 3.33Å; D213-K217 PolarHBondContact O-N 3.05Å; D213-K217 WeakPolarHBondContact OD1-CE 3.24Å; D213-K217 IonicContact OD1-NZ 3.4Å; D213-K217 PolarHBondContact OD1-NZ 2.6Å; D213-K217 WeakPolarHBondContact OD2-CE 3.41Å; D213-K217 IonicContact OD2-NZ 2.79Å; D213-K217 PolarHBondContact OD2-NZ 3.49Å; K217-L219 PolarHBondContact O-N 3.33Å; K217-G220 PolarHBondContact O-N 2.94Å; K217-G220 VanDerWaalsContact O-N 3.14Å; K217-R221 PolarHBondContact O-N 3.02Å; K217-R221 VanDerWaalsContact O-N 3.12Å; K217-F268 WeakPolarHBondContact O-CD1 3.4Å; K217-L271 HydrophobicContact CG-CD1 4.36Å; K217-N272 WeakPolarHBondContact CE-O 3.4Å; K217-V273 HydrophobicContact CD-CG2 4.43Å; K217-V273 HydrophobicContact CG-CG2 4.3Å
218Y94.3Very high90Very high4 Ų426.3 Ų26.32%0.01613%0.132CC..Hα-helixtrans-51.3-56.7175.9-176.1-76.8000111L189 L191 F194 A214 C215 G220 R221 V222 Q303 I307L189-Y218 WeakPolarHBondContact O-CE2 3.33Å; L191-Y218 WeakPolarHBondContact CA-OH 3.4Å; L191-Y218 HydrophobicContact CD1-CE1 4.37Å; L191-Y218 PolarHBondContact N-OH 2.91Å; F194-Y218 HydrophobicContact CB-CD2 3.99Å; F194-Y218 HydrophobicContact CB-CE2 3.63Å; F194-Y218 HydrophobicContact CD1-CD1 4.46Å; F194-Y218 AromaticContact CD1-CD2 3.68Å; F194-Y218 HydrophobicContact CD1-CD2 3.68Å; F194-Y218 AromaticContact CD1-CE2 3.95Å; F194-Y218 HydrophobicContact CD1-CE2 3.95Å; F194-Y218 AromaticContact CD1-CG 3.99Å; F194-Y218 HydrophobicContact CD1-CG 3.99Å; F194-Y218 AromaticContact CD2-CD2 3.35Å; F194-Y218 HydrophobicContact CD2-CD2 3.35Å; F194-Y218 AromaticContact CD2-CE2 3.92Å; F194-Y218 HydrophobicContact CD2-CE2 3.92Å; F194-Y218 HydrophobicContact CD2-CG 4.16Å; F194-Y218 HydrophobicContact CE1-CD1 4.45Å; F194-Y218 AromaticContact CE1-CD2 3.96Å; F194-Y218 HydrophobicContact CE1-CD2 3.96Å; F194-Y218 AromaticContact CE1-CG 3.87Å; F194-Y218 HydrophobicContact CE1-CG 3.87Å; F194-Y218 AromaticContact CE2-CD2 3.65Å; F194-Y218 HydrophobicContact CE2-CD2 3.65Å; F194-Y218 HydrophobicContact CE2-CG 4.05Å; F194-Y218 AromaticContact CG-CD2 3.37Å; F194-Y218 HydrophobicContact CG-CD2 3.37Å; F194-Y218 AromaticContact CG-CE2 3.54Å; F194-Y218 HydrophobicContact CG-CE2 3.54Å; F194-Y218 HydrophobicContact CG-CG 4.13Å; F194-Y218 AromaticContact CZ-CD2 3.95Å; F194-Y218 HydrophobicContact CZ-CD2 3.95Å; F194-Y218 AromaticContact CZ-CG 3.91Å; F194-Y218 HydrophobicContact CZ-CG 3.91Å; A214-Y218 VanDerWaalsContact O-CB 3.3Å; A214-Y218 WeakPolarHBondContact O-CB 3.44Å; A214-Y218 PolarHBondContact O-N 2.95Å; C215-Y218 PolarHBondContact O-N 3.02Å; Y218-G220 VanDerWaalsContact C-N 3.29Å; Y218-G220 PolarHBondContact O-N 3.07Å; Y218-R221 WeakPolarHBondContact O-CB 3.49Å; Y218-R221 PolarHBondContact O-N 3.45Å; Y218-R221 VanDerWaalsContact O-N 3.12Å; Y218-V222 HydrophobicContact CD1-CG2 3.99Å; Y218-V222 HydrophobicContact CE1-CG2 3.67Å; Y218-V222 WeakPolarHBondContact O-CG2 3.48Å; Y218-V222 PolarHBondContact O-N 3.01Å; Y218-Q303 VanDerWaalsContact CE1-OE1 3.23Å; Y218-Q303 PolarHBondContact OH-OE1 3.31Å; Y218-I307 HydrophobicContact CD1-CD1 3.29Å; Y218-I307 HydrophobicContact CE1-CD1 3.47Å; Y218-I307 VanDerWaalsContact CE1-CD1 3.47Å; Y218-I307 HydrophobicContact CG-CD1 4.11Å
219L93.7Very high89.5Confident0 Ų025.7 Ų25.70%013%0.129CC..Hα-helixtrans-64.8-32.3-179.4-68.3174.4000112.7C215 K217 R221 V222 L223 F304 I307 F308 I317 W325C215-L219 WeakPolarHBondContact O-CB 3.29Å; C215-L219 WeakPolarHBondContact O-CG 3.46Å; C215-L219 PolarHBondContact O-N 3.26Å; K217-L219 PolarHBondContact O-N 3.33Å; L219-R221 VanDerWaalsContact C-N 3.27Å; L219-R221 PolarHBondContact O-N 2.89Å; L219-V222 WeakPolarHBondContact O-CB 3.45Å; L219-V222 PolarHBondContact O-N 3.49Å; L219-L223 WeakPolarHBondContact O-CG 3.2Å; L219-L223 PolarHBondContact O-N 3.41Å; L219-F304 HydrophobicContact CB-CE1 4.34Å; L219-F304 HydrophobicContact CB-CE2 4.27Å; L219-F304 HydrophobicContact CB-CZ 3.86Å; L219-F304 HydrophobicContact CD1-CD1 4.34Å; L219-F304 HydrophobicContact CD1-CE1 4.07Å; L219-F304 HydrophobicContact CD1-CZ 4.42Å; L219-F304 HydrophobicContact CD2-CD1 4.08Å; L219-F304 HydrophobicContact CD2-CD2 3.74Å; L219-F304 HydrophobicContact CD2-CE1 4.1Å; L219-F304 HydrophobicContact CD2-CE2 3.75Å; L219-F304 HydrophobicContact CD2-CG 3.9Å; L219-F304 HydrophobicContact CD2-CZ 3.92Å; L219-F304 HydrophobicContact CG-CE1 4.42Å; L219-F304 HydrophobicContact CG-CZ 4.29Å; L219-I307 HydrophobicContact CD1-CG2 3.94Å; L219-I307 HydrophobicContact CD2-CB 4.38Å; L219-I307 HydrophobicContact CD2-CD1 3.72Å; L219-I307 HydrophobicContact CG-CD1 4.14Å; L219-I307 HydrophobicContact CG-CG2 4.33Å; L219-F308 HydrophobicContact CD1-CD2 4.24Å; L219-F308 HydrophobicContact CD1-CE2 3.75Å; L219-I317 HydrophobicContact CD1-CD1 4.35Å; L219-W325 HydrophobicContact CB-CZ2 3.6Å; L219-W325 HydrophobicContact CD1-CH2 4.3Å; L219-W325 HydrophobicContact CD1-CZ2 3.83Å; L219-W325 HydrophobicContact CG-CZ2 4.4Å
220G92.6Very high88.9Confident0 Ų021.7 Ų21.70%012%0.116CC..Hα-helixtrans-60.5-35.217400000113A216 K217 Y218 D224 C269A216-G220 PolarHBondContact O-N 3.42Å; K217-G220 PolarHBondContact O-N 2.94Å; K217-G220 VanDerWaalsContact O-N 3.14Å; Y218-G220 VanDerWaalsContact C-N 3.29Å; Y218-G220 PolarHBondContact O-N 3.07Å; G220-D224 PolarHBondContact O-N 2.79Å; G220-C269 PolarHBondContact O-SG 2.8Å; G220-C269 VanDerWaalsContact O-SG 3.37Å
221R92.8Very high88.4Confident12 Ų1222.3 Ų22.35%0.04512%0.122CC..Hα-helixtrans-67.6-45.5172.4-163.8-174.4165.3-132.2-6.9111.9A187 K217 Y218 L219 L223 D224 F225 F268 E284 Y287A187-R221 WeakPolarHBondContact O-CD 3.42Å; A187-R221 PolarHBondContact O-NH1 3.12Å; K217-R221 PolarHBondContact O-N 3.02Å; K217-R221 VanDerWaalsContact O-N 3.12Å; Y218-R221 WeakPolarHBondContact O-CB 3.49Å; Y218-R221 PolarHBondContact O-N 3.45Å; Y218-R221 VanDerWaalsContact O-N 3.12Å; L219-R221 VanDerWaalsContact C-N 3.27Å; L219-R221 PolarHBondContact O-N 2.89Å; R221-L223 VanDerWaalsContact C-N 3.27Å; R221-L223 PolarHBondContact O-N 2.64Å; R221-D224 PolarHBondContact O-N 3.27Å; R221-F225 PolarHBondContact O-N 2.95Å; R221-F268 HydrophobicContact CB-CD1 3.66Å; R221-F268 HydrophobicContact CB-CE1 3.54Å; R221-F268 HydrophobicContact CB-CZ 4.49Å; R221-F268 HydrophobicContact CG-CD1 4.26Å; R221-F268 HydrophobicContact CG-CE1 3.74Å; R221-F268 HydrophobicContact CG-CZ 4.25Å; R221-E284 IonicContact CZ-OE1 2.82Å; R221-E284 IonicContact NE-OE1 2.6Å; R221-E284 PolarHBondContact NE-OE1 3.31Å; R221-E284 IonicContact NH2-OE1 3.23Å; R221-E284 PolarHBondContact NH2-OE1 3.05Å; R221-Y287 VanDerWaalsContact NH1-CZ 3.27Å; R221-Y287 PolarHBondContact NH1-OH 3.36Å
222V91.5Very high87.6Confident2 Ų228.1 Ų28.11%0.01214%0.144CC..Hα-helixtrans-59.5-40179.7-179.70000110.9Y218 L219 Y226 L297 T300 F304Y218-V222 HydrophobicContact CD1-CG2 3.99Å; Y218-V222 HydrophobicContact CE1-CG2 3.67Å; Y218-V222 WeakPolarHBondContact O-CG2 3.48Å; Y218-V222 PolarHBondContact O-N 3.01Å; L219-V222 WeakPolarHBondContact O-CB 3.45Å; L219-V222 PolarHBondContact O-N 3.49Å; V222-Y226 WeakPolarHBondContact O-CB 3.46Å; V222-Y226 PolarHBondContact O-N 3.43Å; V222-L297 HydrophobicContact CG2-CD1 4.26Å; V222-T300 HydrophobicContact CG1-CG2 3.68Å; V222-F304 HydrophobicContact CB-CE2 4.45Å; V222-F304 HydrophobicContact CG1-CD2 4.39Å; V222-F304 HydrophobicContact CG1-CE2 4.22Å
223L90.5Very high86.7Confident0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-66.5-40.8175.9-70.8173000113.3L219 R221 Y226 D227 C269 F304 W325 K328 A329 L332L219-L223 WeakPolarHBondContact O-CG 3.2Å; L219-L223 PolarHBondContact O-N 3.41Å; R221-L223 VanDerWaalsContact C-N 3.27Å; R221-L223 PolarHBondContact O-N 2.64Å; L223-Y226 PolarHBondContact O-N 3.39Å; L223-D227 WeakPolarHBondContact O-CB 3.48Å; L223-D227 PolarHBondContact O-N 3.2Å; L223-C269 VanDerWaalsContact CB-SG 3.58Å; L223-F304 HydrophobicContact CD1-CZ 3.87Å; L223-F304 HydrophobicContact CD2-CE2 3.71Å; L223-F304 HydrophobicContact CD2-CZ 3.59Å; L223-F304 HydrophobicContact CG-CE2 3.86Å; L223-F304 HydrophobicContact CG-CZ 3.62Å; L223-W325 HydrophobicContact CD1-CD2 3.87Å; L223-W325 HydrophobicContact CD1-CE3 4.49Å; L223-W325 HydrophobicContact CD1-CG 3.94Å; L223-W325 WeakPolarHBondContact CD1-O 3.39Å; L223-K328 HydrophobicContact CB-CB 4.12Å; L223-K328 HydrophobicContact CB-CD 4.25Å; L223-K328 HydrophobicContact CD1-CB 4.13Å; L223-K328 HydrophobicContact CD2-CB 3.99Å; L223-K328 HydrophobicContact CG-CB 4.3Å; L223-A329 HydrophobicContact CD1-CB 4.24Å; L223-A329 HydrophobicContact CD2-CB 4.34Å; L223-L332 HydrophobicContact CD2-CB 4.39Å; L223-L332 HydrophobicContact CD2-CD1 4.09Å
224D89.5Confident85.4Confident27 Ų2735.7 Ų35.714%0.14418%0.181CC..Hα-helixtrans-69-35.4177.2-75.8-14.4000112.5G220 R221 S228 P267 F268 C269 K328G220-D224 PolarHBondContact O-N 2.79Å; R221-D224 PolarHBondContact O-N 3.27Å; D224-S228 WeakPolarHBondContact O-CB 3.36Å; D224-S228 PolarHBondContact O-N 2.98Å; D224-S228 VanDerWaalsContact O-N 3.09Å; D224-S228 PolarHBondContact O-OG 3.24Å; D224-P267 VanDerWaalsContact OD2-C 3.28Å; D224-P267 WeakPolarHBondContact OD2-CA 3.08Å; D224-F268 WeakPolarHBondContact OD2-CA 3.4Å; D224-F268 PolarHBondContact OD2-N 3.3Å; D224-C269 PolarHBondContact OD1-N 2.86Å; D224-C269 PolarHBondContact OD1-SG 3.36Å; D224-C269 PolarHBondContact OD2-N 3.13Å; D224-K328 IonicContact OD1-NZ 2.62Å; D224-K328 PolarHBondContact OD1-NZ 3.35Å
225F87Confident83.9Confident30 Ų3040.6 Ų40.613%0.13221%0.21CC..Hα-helixtrans-62.5-47.5171.1-179.5-98.1000111.4R221 D227 S228 E229 L294 L297 K298R221-F225 PolarHBondContact O-N 2.95Å; F225-D227 PolarHBondContact O-N 2.89Å; F225-S228 PolarHBondContact O-N 3.31Å; F225-E229 HydrophobicContact CD1-CG 4.21Å; F225-E229 HydrophobicContact CE1-CG 3.7Å; F225-E229 HydrophobicContact CE2-CG 4.27Å; F225-E229 HydrophobicContact CZ-CG 3.72Å; F225-E229 PolarHBondContact O-N 3.42Å; F225-L294 HydrophobicContact CE2-CD1 3.69Å; F225-L294 HydrophobicContact CZ-CD1 3.67Å; F225-L297 HydrophobicContact CB-CD2 4.05Å; F225-L297 HydrophobicContact CB-CG 4.14Å; F225-L297 HydrophobicContact CD1-CB 4.47Å; F225-L297 HydrophobicContact CD1-CD2 4.04Å; F225-L297 HydrophobicContact CD1-CG 3.69Å; F225-L297 HydrophobicContact CD2-CD2 3.48Å; F225-L297 VanDerWaalsContact CD2-CD2 3.48Å; F225-L297 HydrophobicContact CD2-CG 4.09Å; F225-L297 HydrophobicContact CE1-CB 4.42Å; F225-L297 HydrophobicContact CE1-CD2 4.4Å; F225-L297 HydrophobicContact CE1-CG 4.09Å; F225-L297 HydrophobicContact CE2-CD2 3.89Å; F225-L297 HydrophobicContact CE2-CG 4.47Å; F225-L297 HydrophobicContact CG-CD2 3.56Å; F225-L297 HydrophobicContact CG-CG 3.68Å; F225-L297 HydrophobicContact CZ-CD2 4.34Å; F225-L297 HydrophobicContact CZ-CG 4.47Å; F225-K298 HydrophobicContact CE1-CB 4.48Å; F225-K298 HydrophobicContact CE1-CG 3.84Å; F225-K298 HydrophobicContact CZ-CG 4.12Å
226Y85.3Confident82.3Confident51 Ų5142.7 Ų42.720%0.223%0.225CC..Hα-helixtrans-57-49.7177.2-178.8-105.5000112.4V222 L223 S228 E229 V230 T300 L332V222-Y226 WeakPolarHBondContact O-CB 3.46Å; V222-Y226 PolarHBondContact O-N 3.43Å; L223-Y226 PolarHBondContact O-N 3.39Å; Y226-S228 VanDerWaalsContact C-N 3.28Å; Y226-S228 PolarHBondContact O-N 3.43Å; Y226-E229 PolarHBondContact O-N 3.24Å; Y226-E229 VanDerWaalsContact O-N 3.13Å; Y226-V230 HydrophobicContact CD1-CG2 4.14Å; Y226-V230 HydrophobicContact CD2-CG2 4.36Å; Y226-V230 HydrophobicContact CE1-CG2 3.74Å; Y226-V230 HydrophobicContact CE2-CG2 3.98Å; Y226-V230 HydrophobicContact CG-CG2 4.44Å; Y226-V230 WeakPolarHBondContact O-CG2 3.32Å; Y226-V230 PolarHBondContact O-N 3.4Å; Y226-T300 HydrophobicContact CD2-CG2 4.26Å; Y226-L332 HydrophobicContact CD1-CB 4.31Å; Y226-L332 HydrophobicContact CD1-CD1 4.14Å; Y226-L332 HydrophobicContact CD2-CD1 4.21Å; Y226-L332 HydrophobicContact CE1-CB 4.08Å; Y226-L332 HydrophobicContact CE1-CD1 4.48Å; Y226-L332 HydrophobicContact CE1-CG 4.48Å; Y226-L332 HydrophobicContact CG-CD1 3.99Å
227D83.2Confident80.4Confident64 Ų6449.7 Ų49.734%0.34226%0.256SS..Hα-helixtrans-59.9-38.7179.5-165.124.8000112L223 F225 S231 K328L223-D227 WeakPolarHBondContact O-CB 3.48Å; L223-D227 PolarHBondContact O-N 3.2Å; F225-D227 PolarHBondContact O-N 2.89Å; D227-S231 VanDerWaalsContact O-CB 3.32Å; D227-S231 WeakPolarHBondContact O-CB 3.45Å; D227-S231 PolarHBondContact O-N 3.35Å; D227-S231 PolarHBondContact O-OG 2.99Å; D227-K328 HydrophobicContact CB-CD 4.23Å; D227-K328 WeakPolarHBondContact OD2-CE 3.43Å; D227-K328 IonicContact OD2-NZ 2.71Å; D227-K328 PolarHBondContact OD2-NZ 3.13Å
228S83Confident78.4Confident60 Ų6054.1 Ų54.142%0.4228%0.28SS..Hα-helixtrans-70-31.7175.7-57.50000113.6D224 F225 Y226 R232D224-S228 WeakPolarHBondContact O-CB 3.36Å; D224-S228 PolarHBondContact O-N 2.98Å; D224-S228 VanDerWaalsContact O-N 3.09Å; D224-S228 PolarHBondContact O-OG 3.24Å; F225-S228 PolarHBondContact O-N 3.31Å; Y226-S228 VanDerWaalsContact C-N 3.28Å; Y226-S228 PolarHBondContact O-N 3.43Å; S228-R232 PolarHBondContact O-N 3.46Å; S228-R232 PolarHBondContact O-NE 2.69Å
229E77.8Confident76.4Confident45 Ų4556.4 Ų56.421%0.2130%0.297CS..Hα-helixtrans-76.1-43.6173.3-75.4-68.2151.600111.5F225 Y226 S231 R232 N233F225-E229 HydrophobicContact CD1-CG 4.21Å; F225-E229 HydrophobicContact CE1-CG 3.7Å; F225-E229 HydrophobicContact CE2-CG 4.27Å; F225-E229 HydrophobicContact CZ-CG 3.72Å; F225-E229 PolarHBondContact O-N 3.42Å; Y226-E229 PolarHBondContact O-N 3.24Å; Y226-E229 VanDerWaalsContact O-N 3.13Å; E229-S231 PolarHBondContact O-N 3.49Å; E229-R232 PolarHBondContact O-N 2.99Å; E229-R232 IonicContact OE1-CZ 3.09Å; E229-R232 IonicContact OE1-NH1 3.22Å; E229-R232 PolarHBondContact OE1-NH1 2.83Å; E229-R232 IonicContact OE1-NH2 2.61Å; E229-R232 PolarHBondContact OE1-NH2 3.36Å; E229-R232 IonicContact OE2-CZ 3.21Å; E229-R232 IonicContact OE2-NH1 2.88Å; E229-R232 IonicContact OE2-NH2 2.76Å; E229-N233 PolarHBondContact O-N 3.29Å; E229-N233 PolarHBondContact O-ND2 3.25Å
230V76.7Confident74.3Confident51 Ų5161.8 Ų61.831%0.30933%0.326SS..Hα-helixtrans-59.5-48.3176.2171.90000110.2Y226 R232 N233 E234Y226-V230 HydrophobicContact CD1-CG2 4.14Å; Y226-V230 HydrophobicContact CD2-CG2 4.36Å; Y226-V230 HydrophobicContact CE1-CG2 3.74Å; Y226-V230 HydrophobicContact CE2-CG2 3.98Å; Y226-V230 HydrophobicContact CG-CG2 4.44Å; Y226-V230 WeakPolarHBondContact O-CG2 3.32Å; Y226-V230 PolarHBondContact O-N 3.4Å; V230-R232 VanDerWaalsContact C-N 3.34Å; V230-R232 PolarHBondContact O-N 3.18Å; V230-N233 PolarHBondContact O-N 3.02Å; V230-N233 VanDerWaalsContact O-N 3.1Å; V230-E234 PolarHBondContact O-N 3.38Å; V230-E234 VanDerWaalsContact O-N 3.09Å
231S75.8Confident72.2Confident61 Ų6165.5 Ų65.543%0.42736%0.356SS..Hα-helixtrans-56.9-43.4177.7-61.80000112.7D227 E229 N233 E234 V235D227-S231 VanDerWaalsContact O-CB 3.32Å; D227-S231 WeakPolarHBondContact O-CB 3.45Å; D227-S231 PolarHBondContact O-N 3.35Å; D227-S231 PolarHBondContact O-OG 2.99Å; E229-S231 PolarHBondContact O-N 3.49Å; S231-N233 PolarHBondContact O-N 2.86Å; S231-E234 PolarHBondContact O-N 3.36Å; S231-V235 WeakPolarHBondContact O-CG2 3.47Å; S231-V235 PolarHBondContact O-N 3.2Å
232R74.9Confident70Confident123 Ų12372.8 Ų72.846%0.46439%0.391SS..Hα-helixtrans-64.4-38.6176.3-84.2178.9-78.6143.7-5.5112.6S228 E229 V230 E234 V235 S236S228-R232 PolarHBondContact O-N 3.46Å; S228-R232 PolarHBondContact O-NE 2.69Å; E229-R232 PolarHBondContact O-N 2.99Å; E229-R232 IonicContact OE1-CZ 3.09Å; E229-R232 IonicContact OE1-NH1 3.22Å; E229-R232 PolarHBondContact OE1-NH1 2.83Å; E229-R232 IonicContact OE1-NH2 2.61Å; E229-R232 PolarHBondContact OE1-NH2 3.36Å; E229-R232 IonicContact OE2-CZ 3.21Å; E229-R232 IonicContact OE2-NH1 2.88Å; E229-R232 IonicContact OE2-NH2 2.76Å; V230-R232 VanDerWaalsContact C-N 3.34Å; V230-R232 PolarHBondContact O-N 3.18Å; R232-E234 VanDerWaalsContact C-N 3.31Å; R232-E234 PolarHBondContact O-N 2.85Å; R232-V235 PolarHBondContact O-N 2.98Å; R232-S236 PolarHBondContact O-N 3.45Å; R232-S236 PolarHBondContact O-OG 2.83Å
233N70.7Confident67.5Low79 Ų7978.9 Ų78.942%0.42242%0.423SS..Hα-helixtrans-73.4-16.8178.9-75.5-62.2000114.4E229 V230 S231 S236 K237E229-N233 PolarHBondContact O-N 3.29Å; E229-N233 PolarHBondContact O-ND2 3.25Å; V230-N233 PolarHBondContact O-N 3.02Å; V230-N233 VanDerWaalsContact O-N 3.1Å; S231-N233 PolarHBondContact O-N 2.86Å; N233-S236 PolarHBondContact O-OG 3.29Å; N233-K237 WeakPolarHBondContact O-CD 3.13Å; N233-K237 WeakPolarHBondContact O-CE 3.49Å; N233-K237 WeakPolarHBondContact O-CG 3.33Å
234E62.6Low65Low123 Ų12386.3 Ų86.358%0.57546%0.463SS*.Hα-helixtrans-83.7-38.8170.4-69.3-170.6167.800111.9V230 S231 R232 K237 N238V230-E234 PolarHBondContact O-N 3.38Å; V230-E234 VanDerWaalsContact O-N 3.09Å; S231-E234 PolarHBondContact O-N 3.36Å; R232-E234 VanDerWaalsContact C-N 3.31Å; R232-E234 PolarHBondContact O-N 2.85Å; E234-K237 PolarHBondContact O-N 3.02Å; E234-N238 PolarHBondContact O-N 3.13Å; E234-N238 PolarHBondContact O-ND2 3.37Å
235V61.8Low62.8Low102 Ų10289.8 Ų89.862%0.61849%0.489SS*.Hα-helixtrans-62.6-43.9177.4175.10000111.7S231 R232 K237 N238 S239S231-V235 WeakPolarHBondContact O-CG2 3.47Å; S231-V235 PolarHBondContact O-N 3.2Å; R232-V235 PolarHBondContact O-N 2.98Å; V235-K237 PolarHBondContact O-N 2.97Å; V235-N238 PolarHBondContact O-N 3.18Å; V235-S239 PolarHBondContact O-N 3.4Å; V235-S239 VanDerWaalsContact O-N 3.14Å
236S60.2Low60.7Low47 Ų4796.2 Ų96.233%0.32953%0.525SS..Hα-helixtrans-62.4-41.3179.4570000113.2R232 N233 N238 S239 D240R232-S236 PolarHBondContact O-N 3.45Å; R232-S236 PolarHBondContact O-OG 2.83Å; N233-S236 PolarHBondContact O-OG 3.29Å; S236-N238 VanDerWaalsContact C-N 3.25Å; S236-N238 PolarHBondContact O-N 3.38Å; S236-S239 PolarHBondContact O-N 3.19Å; S236-S239 PolarHBondContact O-OG 3.49Å; S236-D240 PolarHBondContact O-N 3.37Å; S236-D240 VanDerWaalsContact O-N 3.09Å
237K53.1Low58.4Low146 Ų146102.3 Ų102.364%0.63556%0.558SS**Hα-helixtrans-62.7-32.4176.7-69.6174.2-168.4171.80112.8N233 E234 V235N233-K237 WeakPolarHBondContact O-CD 3.13Å; N233-K237 WeakPolarHBondContact O-CE 3.49Å; N233-K237 WeakPolarHBondContact O-CG 3.33Å; E234-K237 PolarHBondContact O-N 3.02Å; V235-K237 PolarHBondContact O-N 2.97Å
238N48.5Very low56.4Low109 Ų109109.3 Ų109.358%0.58359%0.585SS**Hα-helixtrans-76.1-35.5177.8-69.1-27.5000112.2E234 V235 S236E234-N238 PolarHBondContact O-N 3.13Å; E234-N238 PolarHBondContact O-ND2 3.37Å; V235-N238 PolarHBondContact O-N 3.18Å; S236-N238 VanDerWaalsContact C-N 3.25Å; S236-N238 PolarHBondContact O-N 3.38Å
239S52.9Low54Low52 Ų52114 Ų11436%0.36461%0.605SS.*Hα-helixtrans-70.6-35.6175.852.70000113.5V235 S236 A241 Q242 N243V235-S239 PolarHBondContact O-N 3.4Å; V235-S239 VanDerWaalsContact O-N 3.14Å; S236-S239 PolarHBondContact O-N 3.19Å; S236-S239 PolarHBondContact O-OG 3.49Å; S239-A241 VanDerWaalsContact C-N 3.29Å; S239-A241 PolarHBondContact O-N 3.03Å; S239-Q242 PolarHBondContact O-N 3.45Å; S239-N243 PolarHBondContact O-ND2 3.3Å
240D49.6Very low52.1Low114 Ų114118 Ų11861%0.6163%0.633SS**Hα-helixtrans-72-25-178.9-67.3-13.9000112.3S236 Q242S236-D240 PolarHBondContact O-N 3.37Å; S236-D240 VanDerWaalsContact O-N 3.09Å; D240-Q242 VanDerWaalsContact C-N 3.3Å; D240-Q242 PolarHBondContact O-N 3.3Å
241A47.8Very low50Low78 Ų78121.2 Ų121.265%0.64566%0.655SS**THydrogen-bonded Turntrans-73.1-16.5177.400000114.2S239S239-A241 VanDerWaalsContact C-N 3.29Å; S239-A241 PolarHBondContact O-N 3.03Å
242Q47.8Very low47.9Very low165 Ų165122.9 Ų122.977%0.77167%0.666SS**THydrogen-bonded Turntrans-110.7-6.1-173.7-69.3-175.5-5800115S239 D240S239-Q242 PolarHBondContact O-N 3.45Å; D240-Q242 VanDerWaalsContact C-N 3.3Å; D240-Q242 PolarHBondContact O-N 3.3Å
243N39.8Very low45.7Very low129 Ų129125.3 Ų125.369%0.6968%0.68SS**  trans-111.426.6-172-74.2-38.1000115.3S239 S245S239-N243 PolarHBondContact O-ND2 3.3Å; N243-S245 PolarHBondContact O-N 2.83Å
244N36.8Very low43.6Very low156 Ų156129.2 Ų129.283%0.83470%0.696SS**  trans-90.469.1174.8-82.2-49.7000112.9
245S43.5Very low41.9Very low100 Ų100130.6 Ų130.670%0.69971%0.712SS**SBendtrans-152.2126.9161.260.40000112.4N243N243-S245 PolarHBondContact O-N 2.83Å
246D42.1Very low40.4Very low166 Ų166130.1 Ų130.189%0.88871%0.714SS**  trans67110.9167.4-62.7-25000120.2
247M37.2Very low38.8Very low179 Ų179136 Ų13688%0.88274%0.742SS**  trans-73.8143.9169.8-72.8-168.4144.200113.5
248K41.7Very low37.6Very low211 Ų211134.1 Ų134.192%0.91775%0.747SS**  trans-161.4133.7137.3-108.2153.8-170172.30112.7
249N33.5Very low36.6Very low157 Ų157132.3 Ų132.384%0.8475%0.753SS**  trans-71.7132.3-177.5-67.5-34000113.3
250V38.1Very low35.5Very low130 Ų130137.3 Ų137.379%0.78877%0.771SS**  trans-145.1123.7153.4-1770000109.3
251P32.4Very low34.4Very low118 Ų118139.2 Ų139.277%0.76678%0.781SS**  trans-97.2112.4171.733.5-27.1000110.8
252S30.3Very low33.6Very low96 Ų96141 Ų14167%0.67178%0.779SS**  trans-167.4127.7166.8-89.50000115.3
253K28.8Very low32.8Very low175 Ų175140.1 Ų140.176%0.76178%0.778SS**  trans71.1130.8138.4-63180177.1-174.10121.2
254E26.1Very low32.7Very low161 Ų161140.3 Ų140.375%0.75279%0.786SS**  trans53.675.5139.6-66.1167.1-175.700116.9S256E254-S256 VanDerWaalsContact C-N 3.25Å; E254-S256 PolarHBondContact O-N 2.96Å; E254-S256 PolarHBondContact O-OG 3.37Å
255V28.5Very low33.3Very low151 Ų151135.6 Ų135.692%0.91577%0.774SS**  trans-63.394.4155.8-178.60000107.8
256S29.5Very low34.3Very low93 Ų93138.3 Ų138.365%0.6578%0.776SS**  trans-78.6131178.5-620000109.4E254 S258E254-S256 VanDerWaalsContact C-N 3.25Å; E254-S256 PolarHBondContact O-N 2.96Å; E254-S256 PolarHBondContact O-OG 3.37Å; S256-S258 PolarHBondContact O-N 2.98Å
257N26.4Very low36.1Very low171 Ų171132.8 Ų132.891%0.91475%0.749SS**  trans-56.2102.5-178.7-69-35.7000112.5
258S29.3Very low38.4Very low106 Ų106124.4 Ų124.474%0.74171%0.708SS**  trans-86.8115.7157.1560000108.4S256 E260S256-S258 PolarHBondContact O-N 2.98Å; S258-E260 PolarHBondContact O-N 2.67Å
259G26.7Very low40.4Very low70 Ų70114.5 Ų114.572%0.72267%0.665SS**  trans-64108-176.800000112.2N261G259-N261 PolarHBondContact O-N 3.47Å; G259-N261 VanDerWaalsContact O-N 3.13Å
260E29.4Very low42.5Very low157 Ų157108.1 Ų108.173%0.73464%0.637SS**  trans-67.7106.4165.4-71-174147.800109S258 I262S258-E260 PolarHBondContact O-N 2.67Å; E260-I262 VanDerWaalsContact C-N 3.35Å; E260-I262 PolarHBondContact O-N 2.67Å
261N27.6Very low44.8Very low154 Ų154103.2 Ų103.282%0.82461%0.606SS**  trans-67.190.4171.6-72.5-45.3000109.7G259 I263G259-N261 PolarHBondContact O-N 3.47Å; G259-N261 VanDerWaalsContact O-N 3.13Å; N261-I263 PolarHBondContact O-N 2.99Å
262I29.9Very low47.2Very low116 Ų116103.5 Ų103.560%0.59560%0.601SS**  trans-76.373.1172.8-51.7-167.1000110.2E260E260-I262 VanDerWaalsContact C-N 3.35Å; E260-I262 PolarHBondContact O-N 2.67Å
263I31.1Very low49.7Very low147 Ų147100.4 Ų100.475%0.75458%0.578SS**  trans-149.1109.2155.1-49.4179.1000106.4N261N261-I263 PolarHBondContact O-N 2.99Å
264P38.7Very low52.4Low133 Ų13396.3 Ų96.386%0.86456%0.56SS**SBend-146.291.7112.534-15.7000112.8
265G49.4Very low55.2Low57 Ų5789.6 Ų89.659%0.58853%0.529SS*.SBendtrans178.2146.3170.200000109.9
266Q64.7Low58Low157 Ų15786.2 Ų86.273%0.73450%0.502SS*.  trans-69.9124.3164.1-78.8-175.2-39.600107.5G270Q266-G270 PolarHBondContact O-N 2.79Å
267P79Confident60.7Low50 Ų5086.1 Ų86.133%0.32550%0.501SS..SBendtrans-67.9169.3-178.231.1-36.7000111.1D224 G270D224-P267 VanDerWaalsContact OD2-C 3.28Å; D224-P267 WeakPolarHBondContact OD2-CA 3.08Å; P267-G270 PolarHBondContact O-N 3.45Å
268F85.4Confident63.7Low2 Ų282.4 Ų82.41%0.00948%0.482CS..G310 helixtrans60.441.4-177.6-52.2-92.1000112.7A187 Y188 K217 R221 D224 G270 L271 V273 I275A187-F268 HydrophobicContact CB-CD1 4.3Å; A187-F268 HydrophobicContact CB-CE1 3.61Å; Y188-F268 HydrophobicContact CE2-CE1 4.4Å; Y188-F268 HydrophobicContact CE2-CE2 4.5Å; Y188-F268 AromaticContact CE2-CZ 3.59Å; Y188-F268 HydrophobicContact CE2-CZ 3.59Å; Y188-F268 AromaticContact CZ-CZ 3.85Å; K217-F268 WeakPolarHBondContact O-CD1 3.4Å; R221-F268 HydrophobicContact CB-CD1 3.66Å; R221-F268 HydrophobicContact CB-CE1 3.54Å; R221-F268 HydrophobicContact CB-CZ 4.49Å; R221-F268 HydrophobicContact CG-CD1 4.26Å; R221-F268 HydrophobicContact CG-CE1 3.74Å; R221-F268 HydrophobicContact CG-CZ 4.25Å; D224-F268 WeakPolarHBondContact OD2-CA 3.4Å; D224-F268 PolarHBondContact OD2-N 3.3Å; F268-G270 PolarHBondContact O-N 3.48Å; F268-G270 VanDerWaalsContact O-N 3.15Å; F268-L271 HydrophobicContact CB-CB 4.25Å; F268-L271 VanDerWaalsContact O-CB 3.27Å; F268-L271 WeakPolarHBondContact O-CB 3.44Å; F268-L271 WeakPolarHBondContact O-CG 3.23Å; F268-L271 PolarHBondContact O-N 3.35Å; F268-V273 HydrophobicContact CB-CG2 3.88Å; F268-V273 HydrophobicContact CD1-CG2 4.26Å; F268-V273 HydrophobicContact CD2-CB 3.81Å; F268-V273 HydrophobicContact CD2-CG1 3.77Å; F268-V273 HydrophobicContact CD2-CG2 3.6Å; F268-V273 HydrophobicContact CE2-CB 4.26Å; F268-V273 HydrophobicContact CE2-CG1 3.68Å; F268-V273 HydrophobicContact CE2-CG2 4.26Å; F268-V273 HydrophobicContact CG-CB 4.37Å; F268-V273 HydrophobicContact CG-CG2 3.64Å; F268-V273 HydrophobicContact CZ-CG1 4.36Å; F268-I275 HydrophobicContact CZ-CD1 4.45Å
269C83.1Confident66.6Low3 Ų378 Ų782%0.0245%0.449CS..G310 helixtrans57.320.8-174.5-64.50000114.3G220 L223 D224 N322 T324 W325G220-C269 PolarHBondContact O-SG 2.8Å; G220-C269 VanDerWaalsContact O-SG 3.37Å; L223-C269 VanDerWaalsContact CB-SG 3.58Å; D224-C269 PolarHBondContact OD1-N 2.86Å; D224-C269 PolarHBondContact OD1-SG 3.36Å; D224-C269 PolarHBondContact OD2-N 3.13Å; C269-N322 PolarHBondContact O-ND2 3.08Å; C269-N322 PolarHBondContact O-OD1 3.26Å; C269-T324 HydrophobicContact CB-CG2 4.2Å; C269-T324 WeakPolarHBondContact O-CB 3.41Å; C269-W325 HydrophobicContact CB-CB 3.89Å; C269-W325 HydrophobicContact CB-CG 4.37Å
270G78.8Confident69.6Low24 Ų2477 Ų7725%0.24743%0.426CS..G310 helixtrans76.324.8-172.300000114.2Q266 P267 F268 N322Q266-G270 PolarHBondContact O-N 2.79Å; P267-G270 PolarHBondContact O-N 3.45Å; F268-G270 PolarHBondContact O-N 3.48Å; F268-G270 VanDerWaalsContact O-N 3.15Å; G270-N322 PolarHBondContact O-ND2 3.33Å
271L85.5Confident72.5Confident26 Ų2675.4 Ų75.414%0.13642%0.421CS..  trans-72.2154.4164.6-65176.7000110.5A216 K217 F268 V273 F320A216-L271 HydrophobicContact CB-CD1 4.43Å; K217-L271 HydrophobicContact CG-CD1 4.36Å; F268-L271 HydrophobicContact CB-CB 4.25Å; F268-L271 VanDerWaalsContact O-CB 3.27Å; F268-L271 WeakPolarHBondContact O-CB 3.44Å; F268-L271 WeakPolarHBondContact O-CG 3.23Å; F268-L271 PolarHBondContact O-N 3.35Å; L271-V273 PolarHBondContact O-N 3.09Å; L271-V273 VanDerWaalsContact O-N 3.08Å; L271-F320 VanDerWaalsContact CD2-O 3.29Å; L271-F320 WeakPolarHBondContact CD2-O 3.44Å
272N83.2Confident75.6Confident124 Ų12471.2 Ų71.266%0.66339%0.394SS*.  trans-72.5105.1177.9-172.94.1000109.9K217K217-N272 WeakPolarHBondContact CE-O 3.4Å
273V83.5Confident78.5Confident32 Ų3265.7 Ų65.719%0.19437%0.366CS..  trans-123.2126.4-180165.20000110.4D184 K217 F268 L271 I275D184-V273 HydrophobicContact CB-CG1 4.02Å; D184-V273 WeakPolarHBondContact OD2-CA 3.47Å; K217-V273 HydrophobicContact CD-CG2 4.43Å; K217-V273 HydrophobicContact CG-CG2 4.3Å; F268-V273 HydrophobicContact CB-CG2 3.88Å; F268-V273 HydrophobicContact CD1-CG2 4.26Å; F268-V273 HydrophobicContact CD2-CB 3.81Å; F268-V273 HydrophobicContact CD2-CG1 3.77Å; F268-V273 HydrophobicContact CD2-CG2 3.6Å; F268-V273 HydrophobicContact CE2-CB 4.26Å; F268-V273 HydrophobicContact CE2-CG1 3.68Å; F268-V273 HydrophobicContact CE2-CG2 4.26Å; F268-V273 HydrophobicContact CG-CB 4.37Å; F268-V273 HydrophobicContact CG-CG2 3.64Å; F268-V273 HydrophobicContact CZ-CG1 4.36Å; L271-V273 PolarHBondContact O-N 3.09Å; L271-V273 VanDerWaalsContact O-N 3.08Å; V273-I275 HydrophobicContact CG1-CB 4.26Å; V273-I275 HydrophobicContact CG1-CD1 3.74Å; V273-I275 HydrophobicContact CG1-CG1 3.81Å
274K84.3Confident81.4Confident89 Ų8961.5 Ų61.539%0.38734%0.343SS..  trans-11468.1-175.8-57.8-167.6-179.5-170.70110.9D179 D184D179-K274 WeakPolarHBondContact O-CB 3.44Å; D179-K274 WeakPolarHBondContact O-CD 3.42Å; D179-K274 IonicContact OD1-NZ 2.79Å; D179-K274 PolarHBondContact OD1-NZ 3.49Å; D184-K274 PolarHBondContact OD2-N 2.87Å
275I86.1Confident83.9Confident20 Ų2060.5 Ų60.510%0.10333%0.325CS..  trans-112138.3172.6-63.8171.4000107.8D184 Y185 Y188 F268 V273 H279 Q280D184-I275 HydrophobicContact CB-CD1 3.83Å; D184-I275 HydrophobicContact CB-CG1 3.75Å; Y185-I275 HydrophobicContact CD1-CG1 4.43Å; Y185-I275 HydrophobicContact CD1-CG2 4.44Å; Y185-I275 HydrophobicContact CD2-CG1 4.37Å; Y185-I275 HydrophobicContact CE1-CB 4.49Å; Y185-I275 HydrophobicContact CE1-CG1 4.25Å; Y185-I275 HydrophobicContact CE1-CG2 3.7Å; Y185-I275 HydrophobicContact CE2-CG1 4.2Å; Y185-I275 HydrophobicContact CG-CG1 4.49Å; Y188-I275 HydrophobicContact CD2-CD1 4.09Å; Y188-I275 HydrophobicContact CE2-CD1 3.56Å; F268-I275 HydrophobicContact CZ-CD1 4.45Å; V273-I275 HydrophobicContact CG1-CB 4.26Å; V273-I275 HydrophobicContact CG1-CD1 3.74Å; V273-I275 HydrophobicContact CG1-CG1 3.81Å; I275-H279 HydrophobicContact CG2-CB 4.01Å; I275-Q280 HydrophobicContact CG2-CB 4.17Å
276K87.3Confident85.9Confident80 Ų8058.3 Ų58.335%0.34830%0.3SS..  trans-62.2141.6174.8-64-179.2168.1118.80110.7E180 D278 H279 Q280E180-K276 WeakPolarHBondContact OE1-CE 3.17Å; E180-K276 IonicContact OE1-NZ 2.65Å; E180-K276 PolarHBondContact OE1-NZ 2.71Å; K276-D278 VanDerWaalsContact C-N 3.31Å; K276-D278 WeakPolarHBondContact CB-OD1 3.49Å; K276-D278 PolarHBondContact O-N 3.05Å; K276-H279 HydrophobicContact CB-CB 4.25Å; K276-H279 WeakPolarHBondContact O-CB 3.45Å; K276-H279 PolarHBondContact O-N 3.47Å; K276-H279 VanDerWaalsContact O-N 3.15Å; K276-Q280 PolarHBondContact O-N 3.27Å
277S85.7Confident87.1Confident90 Ų9051 Ų5163%0.62927%0.265SS*.Hα-helixtrans-63.1-34.2-174.551.20000113.5Q280 I281S277-Q280 PolarHBondContact O-N 3.46Å; S277-I281 WeakPolarHBondContact O-CB 3.36Å; S277-I281 WeakPolarHBondContact O-CD1 3.46Å; S277-I281 WeakPolarHBondContact O-CG1 3.1Å; S277-I281 PolarHBondContact O-N 3.1Å
278D88.7Confident87.6Confident94 Ų9454.3 Ų54.350%0.50327%0.274SS..Hα-helixtrans-67.5-42.8173.967.1-38.2000112K276 Q280 I281 R282K276-D278 VanDerWaalsContact C-N 3.31Å; K276-D278 WeakPolarHBondContact CB-OD1 3.49Å; K276-D278 PolarHBondContact O-N 3.05Å; D278-Q280 VanDerWaalsContact C-N 3.35Å; D278-Q280 PolarHBondContact O-N 3.46Å; D278-I281 PolarHBondContact O-N 3.25Å; D278-R282 VanDerWaalsContact O-CB 3.28Å; D278-R282 WeakPolarHBondContact O-CB 3.3Å; D278-R282 PolarHBondContact O-N 3.42Å
279H91.6Very high87.7Confident13 Ų1358.7 Ų58.76%0.0630%0.298CS..Hα-helixtrans-60.2-44.2172.7-68-170.7000111.1V119 Y185 I275 K276 R282 L283V119-H279 HydrophobicContact CB-CB 4.16Å; V119-H279 HydrophobicContact CG2-CB 4.1Å; Y185-H279 HydrophobicContact CE1-CB 4.16Å; Y185-H279 AromaticContact CE1-ND1 3.78Å; Y185-H279 AromaticContact CZ-ND1 3.68Å; Y185-H279 PolarHBondContact OH-ND1 3.31Å; I275-H279 HydrophobicContact CG2-CB 4.01Å; K276-H279 HydrophobicContact CB-CB 4.25Å; K276-H279 WeakPolarHBondContact O-CB 3.45Å; K276-H279 PolarHBondContact O-N 3.47Å; K276-H279 VanDerWaalsContact O-N 3.15Å; H279-R282 PolarHBondContact O-N 3.34Å; H279-L283 VanDerWaalsContact O-CG 3.3Å; H279-L283 WeakPolarHBondContact O-CG 3.39Å; H279-L283 PolarHBondContact O-N 2.87Å
280Q89.7Confident87.8Confident50 Ų5060 Ų6023%0.23431%0.305CS..Hα-helixtrans-62.2-51176.5171.6161.731.400112.1Y188 I275 K276 S277 D278 R282 L283 E284Y188-Q280 WeakPolarHBondContact OH-CG 3.43Å; Y188-Q280 PolarHBondContact OH-NE2 3.46Å; I275-Q280 HydrophobicContact CG2-CB 4.17Å; K276-Q280 PolarHBondContact O-N 3.27Å; S277-Q280 PolarHBondContact O-N 3.46Å; D278-Q280 VanDerWaalsContact C-N 3.35Å; D278-Q280 PolarHBondContact O-N 3.46Å; Q280-R282 PolarHBondContact O-N 3.14Å; Q280-L283 PolarHBondContact O-N 3.25Å; Q280-E284 HydrophobicContact CG-CG 4.42Å; Q280-E284 WeakPolarHBondContact O-CB 3.41Å; Q280-E284 WeakPolarHBondContact O-CG 3.49Å; Q280-E284 PolarHBondContact O-N 3.21Å
281I89.5Confident88.2Confident123 Ų12365.4 Ų65.463%0.63133%0.327SS*.Hα-helixtrans-55.3-40.9178.1-71.7163.6000110.7S277 D278 K285S277-I281 WeakPolarHBondContact O-CB 3.36Å; S277-I281 WeakPolarHBondContact O-CD1 3.46Å; S277-I281 WeakPolarHBondContact O-CG1 3.1Å; S277-I281 PolarHBondContact O-N 3.1Å; D278-I281 PolarHBondContact O-N 3.25Å; I281-K285 WeakPolarHBondContact O-CB 3.29Å; I281-K285 PolarHBondContact O-N 3.12Å
282R92Very high88.2Confident66 Ų6667.4 Ų67.425%0.24934%0.343CS..Hα-helixtrans-68.3-43.4179.7-174.5175.4178.2-142.6-13.5113S76 E77 N120 D278 H279 Q280 K285 L286S76-R282 PolarHBondContact OG-NH2 3.27Å; E77-R282 IonicContact OE1-CZ 2.67Å; E77-R282 IonicContact OE1-NE 3.58Å; E77-R282 PolarHBondContact OE1-NE 3.32Å; E77-R282 IonicContact OE1-NH2 2.67Å; E77-R282 PolarHBondContact OE1-NH2 3.09Å; N120-R282 PolarHBondContact OD1-NH1 3.35Å; D278-R282 VanDerWaalsContact O-CB 3.28Å; D278-R282 WeakPolarHBondContact O-CB 3.3Å; D278-R282 PolarHBondContact O-N 3.42Å; H279-R282 PolarHBondContact O-N 3.34Å; Q280-R282 PolarHBondContact O-N 3.14Å; R282-K285 WeakPolarHBondContact O-CB 3.42Å; R282-K285 PolarHBondContact O-N 3.32Å; R282-L286 PolarHBondContact O-N 3.38Å
283L92.1Very high88.4Confident0 Ų061.7 Ų61.70%031%0.312CS..Hα-helixtrans-68.2-39.8177.6-70165.3000111.9V119 I122 Y185 Y188 H279 Q280 K285 L286 Y287V119-L283 HydrophobicContact CG2-CD1 4.06Å; V119-L283 HydrophobicContact CG2-CD2 4.04Å; V119-L283 HydrophobicContact CG2-CG 3.86Å; I122-L283 HydrophobicContact CB-CD2 4.3Å; I122-L283 HydrophobicContact CG2-CD2 3.79Å; Y185-L283 HydrophobicContact CD1-CD1 4.24Å; Y185-L283 HydrophobicContact CE1-CD1 4.5Å; Y188-L283 HydrophobicContact CD1-CB 3.44Å; Y188-L283 VanDerWaalsContact CD1-CB 3.44Å; Y188-L283 HydrophobicContact CD1-CD1 4.04Å; Y188-L283 HydrophobicContact CD1-CG 4.23Å; Y188-L283 HydrophobicContact CD2-CD1 3.79Å; Y188-L283 HydrophobicContact CE1-CB 3.62Å; Y188-L283 HydrophobicContact CE1-CD1 4.39Å; Y188-L283 HydrophobicContact CE2-CD1 4.17Å; Y188-L283 HydrophobicContact CG-CB 4Å; Y188-L283 HydrophobicContact CG-CD1 3.71Å; Y188-L283 HydrophobicContact CG-CG 4.3Å; H279-L283 VanDerWaalsContact O-CG 3.3Å; H279-L283 WeakPolarHBondContact O-CG 3.39Å; H279-L283 PolarHBondContact O-N 2.87Å; Q280-L283 PolarHBondContact O-N 3.25Å; L283-K285 VanDerWaalsContact C-N 3.32Å; L283-K285 PolarHBondContact O-N 3.27Å; L283-L286 PolarHBondContact O-N 3.17Å; L283-Y287 PolarHBondContact O-N 2.92Å; L283-Y287 VanDerWaalsContact O-N 3.13Å
284E90.7Very high88.6Confident58 Ų5862.2 Ų62.227%0.27131%0.314SS..Hα-helixtrans-63.9-36.9172.7-73.5-58.9143.800112Y188 R221 Q280 Y287 K288Y188-E284 HydrophobicContact CE1-CG 4.28Å; Y188-E284 VanDerWaalsContact CE1-OE1 3.26Å; Y188-E284 WeakPolarHBondContact CE1-OE1 3.41Å; R221-E284 IonicContact CZ-OE1 2.82Å; R221-E284 IonicContact NE-OE1 2.6Å; R221-E284 PolarHBondContact NE-OE1 3.31Å; R221-E284 IonicContact NH2-OE1 3.23Å; R221-E284 PolarHBondContact NH2-OE1 3.05Å; Q280-E284 HydrophobicContact CG-CG 4.42Å; Q280-E284 WeakPolarHBondContact O-CB 3.41Å; Q280-E284 WeakPolarHBondContact O-CG 3.49Å; Q280-E284 PolarHBondContact O-N 3.21Å; E284-Y287 PolarHBondContact O-N 3.36Å; E284-K288 WeakPolarHBondContact O-CG 3.49Å; E284-K288 PolarHBondContact O-N 3.25Å; E284-K288 VanDerWaalsContact O-N 3.1Å
285K91Very high88.7Confident113 Ų11362.1 Ų62.149%0.49131%0.314SS..Hα-helixtrans-62.8-44.4171.7-171.4-169.7174.2-154.50112I281 R282 L283 Y287 K288 D289I281-K285 WeakPolarHBondContact O-CB 3.29Å; I281-K285 PolarHBondContact O-N 3.12Å; R282-K285 WeakPolarHBondContact O-CB 3.42Å; R282-K285 PolarHBondContact O-N 3.32Å; L283-K285 VanDerWaalsContact C-N 3.32Å; L283-K285 PolarHBondContact O-N 3.27Å; K285-Y287 VanDerWaalsContact C-N 3.29Å; K285-Y287 PolarHBondContact O-N 2.9Å; K285-K288 PolarHBondContact O-N 3.4Å; K285-K288 VanDerWaalsContact O-N 3.1Å; K285-D289 WeakPolarHBondContact CE-OD2 3.33Å; K285-D289 IonicContact NZ-OD2 2.69Å; K285-D289 PolarHBondContact O-N 3.14Å
286L91.5Very high88.7Confident11 Ų1163.2 Ų63.26%0.05832%0.321CS..Hα-helixtrans-58.6-38.5177.3168.5143.4000112.4E77 C123 C126 R282 L283 N290 L293E77-L286 HydrophobicContact CB-CD1 4.3Å; E77-L286 HydrophobicContact CG-CD1 3.92Å; C123-L286 HydrophobicContact CB-CD1 4.18Å; C126-L286 HydrophobicContact CB-CD2 4.12Å; R282-L286 PolarHBondContact O-N 3.38Å; L283-L286 PolarHBondContact O-N 3.17Å; L286-N290 VanDerWaalsContact O-CB 3.3Å; L286-N290 WeakPolarHBondContact O-CB 3.46Å; L286-N290 PolarHBondContact O-N 3.47Å; L286-L293 HydrophobicContact CD2-CD1 3.44Å; L286-L293 VanDerWaalsContact CD2-CD1 3.44Å; L286-L293 HydrophobicContact CG-CD1 4.25Å
287Y90.8Very high88.6Confident4 Ų459.7 Ų59.72%0.01631%0.305CS..Hα-helixtrans-69.7-35.2174-91.6-98.2000113.3Y188 L189 R221 L283 E284 K285 L293 L297Y188-Y287 HydrophobicContact CD1-CE2 4.44Å; Y188-Y287 WeakPolarHBondContact O-CE2 3.32Å; Y188-Y287 PolarHBondContact O-OH 2.99Å; Y188-Y287 VanDerWaalsContact O-OH 3.11Å; L189-Y287 PolarHBondContact O-OH 3.04Å; R221-Y287 VanDerWaalsContact NH1-CZ 3.27Å; R221-Y287 PolarHBondContact NH1-OH 3.36Å; L283-Y287 PolarHBondContact O-N 2.92Å; L283-Y287 VanDerWaalsContact O-N 3.13Å; E284-Y287 PolarHBondContact O-N 3.36Å; K285-Y287 VanDerWaalsContact C-N 3.29Å; K285-Y287 PolarHBondContact O-N 2.9Å; Y287-L293 HydrophobicContact CD1-CB 3.76Å; Y287-L293 HydrophobicContact CE1-CB 3.85Å; Y287-L293 WeakPolarHBondContact CE1-O 3.36Å; Y287-L293 HydrophobicContact CG-CB 4.28Å; Y287-L297 HydrophobicContact CD1-CB 4.32Å; Y287-L297 HydrophobicContact CD1-CD2 3.9Å; Y287-L297 HydrophobicContact CE1-CB 4.23Å; Y287-L297 HydrophobicContact CE1-CD2 4.22Å
288K89.1Confident88.7Confident118 Ų11859.7 Ų59.751%0.51329%0.294SS..Hα-helixtrans-69.9-40.3175.5-71.1174.8-179.8-173.70113E284 K285 N290E284-K288 WeakPolarHBondContact O-CG 3.49Å; E284-K288 PolarHBondContact O-N 3.25Å; E284-K288 VanDerWaalsContact O-N 3.1Å; K285-K288 PolarHBondContact O-N 3.4Å; K285-K288 VanDerWaalsContact O-N 3.1Å; K288-N290 VanDerWaalsContact C-N 3.27Å; K288-N290 PolarHBondContact O-N 3.47Å
289D87.2Confident88.6Confident95 Ų9558.7 Ų58.751%0.50829%0.289SS..Hα-helixtrans-76.4-15.8-176.8-73.1-13.7000112.5K285K285-D289 WeakPolarHBondContact CE-OD2 3.33Å; K285-D289 IonicContact NZ-OD2 2.69Å; K285-D289 PolarHBondContact O-N 3.14Å
290N86.6Confident88.3Confident29 Ų2958.5 Ų58.516%0.15529%0.288CS..  trans-116.7109.9-176.7-168-37.7000113.2E130 L286 K288 S292 L293 L294E130-N290 VanDerWaalsContact CD-ND2 3.28Å; E130-N290 PolarHBondContact OE1-ND2 3.12Å; E130-N290 PolarHBondContact OE1-OD1 3.14Å; E130-N290 PolarHBondContact OE2-ND2 2.9Å; E130-N290 VanDerWaalsContact OE2-ND2 3.12Å; L286-N290 VanDerWaalsContact O-CB 3.3Å; L286-N290 WeakPolarHBondContact O-CB 3.46Å; L286-N290 PolarHBondContact O-N 3.47Å; K288-N290 VanDerWaalsContact C-N 3.27Å; K288-N290 PolarHBondContact O-N 3.47Å; N290-S292 VanDerWaalsContact C-N 3.32Å; N290-S292 PolarHBondContact O-N 3.12Å; N290-S292 WeakPolarHBondContact OD1-CB 3.39Å; N290-S292 PolarHBondContact OD1-N 3.06Å; N290-L293 HydrophobicContact CB-CB 4.26Å; N290-L293 HydrophobicContact CB-CD1 4Å; N290-L293 HydrophobicContact CB-CG 4.02Å; N290-L293 PolarHBondContact O-N 2.85Å; N290-L293 PolarHBondContact OD1-N 2.97Å; N290-L294 PolarHBondContact O-N 3.03Å; N290-L294 VanDerWaalsContact O-N 3.08Å
291I85.5Confident88Confident139 Ų13957.5 Ų57.571%0.71329%0.289SS*.Hα-helixtrans-60.7-38.1-178.5-59.9170.6000112.1L294 E295I291-L294 PolarHBondContact O-N 3.47Å; I291-E295 WeakPolarHBondContact O-CB 3.39Å; I291-E295 PolarHBondContact O-N 3.48Å
292S85.7Confident87.9Confident68 Ų6856 Ų5648%0.47628%0.279SS..Hα-helixtrans-67.1-41-177.5-168.20000111.6N290 E295 D296N290-S292 VanDerWaalsContact C-N 3.32Å; N290-S292 PolarHBondContact O-N 3.12Å; N290-S292 WeakPolarHBondContact OD1-CB 3.39Å; N290-S292 PolarHBondContact OD1-N 3.06Å; S292-E295 PolarHBondContact O-N 2.95Å; S292-D296 PolarHBondContact O-N 2.9Å; S292-D296 VanDerWaalsContact O-N 3.11Å
293L87.7Confident87.8Confident4 Ų452.9 Ų52.92%0.02127%0.268CS..Hα-helixtrans-71.6-36.7178.7-57.3-174.5000111.6C126 P190 L286 Y287 N290 L297C126-L293 HydrophobicContact CB-CD1 4.08Å; P190-L293 HydrophobicContact CB-CD2 4.24Å; P190-L293 HydrophobicContact CG-CD2 3.55Å; L286-L293 HydrophobicContact CD2-CD1 3.44Å; L286-L293 VanDerWaalsContact CD2-CD1 3.44Å; L286-L293 HydrophobicContact CG-CD1 4.25Å; Y287-L293 HydrophobicContact CD1-CB 3.76Å; Y287-L293 HydrophobicContact CE1-CB 3.85Å; Y287-L293 WeakPolarHBondContact CE1-O 3.36Å; Y287-L293 HydrophobicContact CG-CB 4.28Å; N290-L293 HydrophobicContact CB-CB 4.26Å; N290-L293 HydrophobicContact CB-CD1 4Å; N290-L293 HydrophobicContact CB-CG 4.02Å; N290-L293 PolarHBondContact O-N 2.85Å; N290-L293 PolarHBondContact OD1-N 2.97Å; L293-L297 WeakPolarHBondContact O-CB 3.15Å; L293-L297 PolarHBondContact O-N 3.38Å; L293-L297 VanDerWaalsContact O-N 3.08Å
294L87.2Confident87.8Confident42 Ų4252.9 Ų52.922%0.2227%0.268CS..Hα-helixtrans-65.9-38.9174.3-167.967.2000112F225 N290 I291 L297 K298F225-L294 HydrophobicContact CE2-CD1 3.69Å; F225-L294 HydrophobicContact CZ-CD1 3.67Å; N290-L294 PolarHBondContact O-N 3.03Å; N290-L294 VanDerWaalsContact O-N 3.08Å; I291-L294 PolarHBondContact O-N 3.47Å; L294-L297 PolarHBondContact O-N 2.96Å; L294-K298 WeakPolarHBondContact O-CG 3.27Å; L294-K298 PolarHBondContact O-N 3.14Å
295E86.5Confident87.7Confident87 Ų8751.3 Ų51.341%0.40726%0.26SS..Hα-helixtrans-72.1-38.2179.5-155.565.9-160.800112.3I291 S292 L297 K298 N299I291-E295 WeakPolarHBondContact O-CB 3.39Å; I291-E295 PolarHBondContact O-N 3.48Å; S292-E295 PolarHBondContact O-N 2.95Å; E295-L297 VanDerWaalsContact C-N 3.29Å; E295-L297 PolarHBondContact O-N 3.46Å; E295-K298 PolarHBondContact O-N 3.1Å; E295-K298 WeakPolarHBondContact OE2-CD 3.46Å; E295-K298 WeakPolarHBondContact OE2-CE 3.42Å; E295-K298 IonicContact OE2-NZ 3.93Å; E295-K298 PolarHBondContact OE2-NZ 3.39Å; E295-N299 PolarHBondContact O-N 2.98Å; E295-N299 PolarHBondContact O-ND2 3.05Å
296D86.3Confident87.7Confident44 Ų4449.8 Ų49.824%0.23525%0.254CS..Hα-helixtrans-56.4-46.1168.3-169.452.1000110.3L191 S292 K298 N299 Q303L191-D296 PolarHBondContact N-OD2 2.77Å; S292-D296 PolarHBondContact O-N 2.9Å; S292-D296 VanDerWaalsContact O-N 3.11Å; D296-K298 PolarHBondContact O-N 3.41Å; D296-N299 PolarHBondContact O-N 3.21Å; D296-Q303 PolarHBondContact O-NE2 2.96Å
297L86.1Confident87.7Confident5 Ų549.3 Ų49.33%0.02625%0.251CS..Hα-helixtrans-65.5-32.8179.6-165.961.9000113.6V222 F225 Y287 L293 L294 E295 N299 T300 Q303V222-L297 HydrophobicContact CG2-CD1 4.26Å; F225-L297 HydrophobicContact CB-CD2 4.05Å; F225-L297 HydrophobicContact CB-CG 4.14Å; F225-L297 HydrophobicContact CD1-CB 4.47Å; F225-L297 HydrophobicContact CD1-CD2 4.04Å; F225-L297 HydrophobicContact CD1-CG 3.69Å; F225-L297 HydrophobicContact CD2-CD2 3.48Å; F225-L297 VanDerWaalsContact CD2-CD2 3.48Å; F225-L297 HydrophobicContact CD2-CG 4.09Å; F225-L297 HydrophobicContact CE1-CB 4.42Å; F225-L297 HydrophobicContact CE1-CD2 4.4Å; F225-L297 HydrophobicContact CE1-CG 4.09Å; F225-L297 HydrophobicContact CE2-CD2 3.89Å; F225-L297 HydrophobicContact CE2-CG 4.47Å; F225-L297 HydrophobicContact CG-CD2 3.56Å; F225-L297 HydrophobicContact CG-CG 3.68Å; F225-L297 HydrophobicContact CZ-CD2 4.34Å; F225-L297 HydrophobicContact CZ-CG 4.47Å; Y287-L297 HydrophobicContact CD1-CB 4.32Å; Y287-L297 HydrophobicContact CD1-CD2 3.9Å; Y287-L297 HydrophobicContact CE1-CB 4.23Å; Y287-L297 HydrophobicContact CE1-CD2 4.22Å; L293-L297 WeakPolarHBondContact O-CB 3.15Å; L293-L297 PolarHBondContact O-N 3.38Å; L293-L297 VanDerWaalsContact O-N 3.08Å; L294-L297 PolarHBondContact O-N 2.96Å; E295-L297 VanDerWaalsContact C-N 3.29Å; E295-L297 PolarHBondContact O-N 3.46Å; L297-N299 VanDerWaalsContact C-N 3.35Å; L297-T300 WeakPolarHBondContact O-CG2 3.41Å; L297-Q303 PolarHBondContact O-NE2 3.47Å; L297-Q303 VanDerWaalsContact O-NE2 3.13Å
298K86.6Confident87.6Confident91 Ų9149.5 Ų49.540%0.39625%0.252SS..Hα-helixtrans-68.8-26.8173.8-74.5176.8-158.2160.70114F225 L294 E295 D296 T300F225-K298 HydrophobicContact CE1-CB 4.48Å; F225-K298 HydrophobicContact CE1-CG 3.84Å; F225-K298 HydrophobicContact CZ-CG 4.12Å; L294-K298 WeakPolarHBondContact O-CG 3.27Å; L294-K298 PolarHBondContact O-N 3.14Å; E295-K298 PolarHBondContact O-N 3.1Å; E295-K298 WeakPolarHBondContact OE2-CD 3.46Å; E295-K298 WeakPolarHBondContact OE2-CE 3.42Å; E295-K298 IonicContact OE2-NZ 3.93Å; E295-K298 PolarHBondContact OE2-NZ 3.39Å; D296-K298 PolarHBondContact O-N 3.41Å; K298-T300 PolarHBondContact O-N 2.99Å
299N86.6Confident87.6Confident72 Ų7249.4 Ų49.439%0.38525%0.253SS..  trans-77.950.6178.3-69.6-45.8000111.5E295 D296 L297 A301 E302 Q303E295-N299 PolarHBondContact O-N 2.98Å; E295-N299 PolarHBondContact O-ND2 3.05Å; D296-N299 PolarHBondContact O-N 3.21Å; L297-N299 VanDerWaalsContact C-N 3.35Å; N299-A301 VanDerWaalsContact C-N 3.34Å; N299-A301 PolarHBondContact O-N 3.36Å; N299-E302 HydrophobicContact CB-CB 4.24Å; N299-E302 WeakPolarHBondContact O-CB 3.35Å; N299-E302 PolarHBondContact O-N 3.34Å; N299-Q303 PolarHBondContact O-N 2.94Å
300T85.6Confident87.6Confident9 Ų946.7 Ų46.76%0.05524%0.24CC..Hα-helixtrans-58.4-42.7-17059.90000112.3V222 Y226 L297 K298 E302 Q303 F304 L332V222-T300 HydrophobicContact CG1-CG2 3.68Å; Y226-T300 HydrophobicContact CD2-CG2 4.26Å; L297-T300 WeakPolarHBondContact O-CG2 3.41Å; K298-T300 PolarHBondContact O-N 2.99Å; T300-E302 VanDerWaalsContact C-N 3.34Å; T300-E302 PolarHBondContact O-N 3.21Å; T300-Q303 PolarHBondContact O-N 3.36Å; T300-F304 WeakPolarHBondContact O-CD2 3.39Å; T300-F304 PolarHBondContact O-N 2.9Å; T300-L332 WeakPolarHBondContact OG1-CD1 3.47Å
301A84.7Confident87.6Confident30 Ų3045.8 Ų45.825%0.24824%0.235CC..Hα-helixtrans-61.9-39.4175.700000112.4N299 F304 E305N299-A301 VanDerWaalsContact C-N 3.34Å; N299-A301 PolarHBondContact O-N 3.36Å; A301-F304 PolarHBondContact O-N 3Å; A301-E305 WeakPolarHBondContact O-CG 3.3Å; A301-E305 PolarHBondContact O-N 3.36Å
302E86.9Confident87.4Confident90 Ų9043.6 Ų43.642%0.42123%0.23SC..Hα-helixtrans-69.5-37.6178.7-171.2-178.6162.700112N299 T300 E305 K306N299-E302 HydrophobicContact CB-CB 4.24Å; N299-E302 WeakPolarHBondContact O-CB 3.35Å; N299-E302 PolarHBondContact O-N 3.34Å; T300-E302 VanDerWaalsContact C-N 3.34Å; T300-E302 PolarHBondContact O-N 3.21Å; E302-E305 PolarHBondContact O-N 2.93Å; E302-K306 HydrophobicContact CG-CD 4.06Å; E302-K306 WeakPolarHBondContact O-CB 3.32Å; E302-K306 WeakPolarHBondContact O-CG 3.25Å; E302-K306 PolarHBondContact O-N 2.87Å; E302-K306 VanDerWaalsContact OE1-CE 3.3Å; E302-K306 WeakPolarHBondContact OE1-CE 3.28Å; E302-K306 IonicContact OE1-NZ 2.9Å; E302-K306 PolarHBondContact OE1-NZ 3.28Å
303Q90.5Very high87.4Confident1 Ų146.7 Ų46.71%0.00524%0.235CC..Hα-helixtrans-61.8-45172.5-67.7178.968.700111.6L191 Y218 D296 L297 N299 T300 I307L191-Q303 HydrophobicContact CB-CG 4.28Å; L191-Q303 HydrophobicContact CD1-CB 4.13Å; L191-Q303 HydrophobicContact CD1-CG 4.03Å; L191-Q303 HydrophobicContact CD2-CB 4.35Å; L191-Q303 HydrophobicContact CD2-CG 3.81Å; L191-Q303 HydrophobicContact CG-CG 4.24Å; Y218-Q303 VanDerWaalsContact CE1-OE1 3.23Å; Y218-Q303 PolarHBondContact OH-OE1 3.31Å; D296-Q303 PolarHBondContact O-NE2 2.96Å; L297-Q303 PolarHBondContact O-NE2 3.47Å; L297-Q303 VanDerWaalsContact O-NE2 3.13Å; N299-Q303 PolarHBondContact O-N 2.94Å; T300-Q303 PolarHBondContact O-N 3.36Å; Q303-I307 WeakPolarHBondContact O-CB 3.47Å; Q303-I307 WeakPolarHBondContact O-CG1 3.31Å; Q303-I307 PolarHBondContact O-N 3.12Å
304F90.8Very high87.1Confident0 Ų047.3 Ų47.30%024%0.24CC..Hα-helixtrans-60.2-51.3174.7-96.3-93.6000112L219 V222 L223 T300 A301 K306 I307 F308 W325 A329 L332 I346L219-F304 HydrophobicContact CB-CE1 4.34Å; L219-F304 HydrophobicContact CB-CE2 4.27Å; L219-F304 HydrophobicContact CB-CZ 3.86Å; L219-F304 HydrophobicContact CD1-CD1 4.34Å; L219-F304 HydrophobicContact CD1-CE1 4.07Å; L219-F304 HydrophobicContact CD1-CZ 4.42Å; L219-F304 HydrophobicContact CD2-CD1 4.08Å; L219-F304 HydrophobicContact CD2-CD2 3.74Å; L219-F304 HydrophobicContact CD2-CE1 4.1Å; L219-F304 HydrophobicContact CD2-CE2 3.75Å; L219-F304 HydrophobicContact CD2-CG 3.9Å; L219-F304 HydrophobicContact CD2-CZ 3.92Å; L219-F304 HydrophobicContact CG-CE1 4.42Å; L219-F304 HydrophobicContact CG-CZ 4.29Å; V222-F304 HydrophobicContact CB-CE2 4.45Å; V222-F304 HydrophobicContact CG1-CD2 4.39Å; V222-F304 HydrophobicContact CG1-CE2 4.22Å; L223-F304 HydrophobicContact CD1-CZ 3.87Å; L223-F304 HydrophobicContact CD2-CE2 3.71Å; L223-F304 HydrophobicContact CD2-CZ 3.59Å; L223-F304 HydrophobicContact CG-CE2 3.86Å; L223-F304 HydrophobicContact CG-CZ 3.62Å; T300-F304 WeakPolarHBondContact O-CD2 3.39Å; T300-F304 PolarHBondContact O-N 2.9Å; A301-F304 PolarHBondContact O-N 3Å; F304-K306 PolarHBondContact O-N 3.41Å; F304-I307 PolarHBondContact O-N 3.34Å; F304-F308 HydrophobicContact CD1-CD2 4.22Å; F304-F308 AromaticContact CD1-CE2 3.81Å; F304-F308 HydrophobicContact CD1-CE2 3.81Å; F304-F308 HydrophobicContact CE1-CE2 4.13Å; F304-F308 WeakPolarHBondContact O-CB 3.49Å; F304-F308 VanDerWaalsContact O-CD2 3.32Å; F304-F308 WeakPolarHBondContact O-CD2 3.44Å; F304-F308 PolarHBondContact O-N 2.87Å; F304-W325 AromaticContact CE1-CH2 3.88Å; F304-W325 HydrophobicContact CE1-CH2 3.88Å; F304-W325 HydrophobicContact CE1-CZ2 4.13Å; F304-W325 HydrophobicContact CZ-CH2 4.4Å; F304-W325 HydrophobicContact CZ-CZ2 4.26Å; F304-A329 HydrophobicContact CE1-CB 4.18Å; F304-A329 HydrophobicContact CZ-CB 4.43Å; F304-L332 HydrophobicContact CD2-CD1 4.38Å; F304-L332 HydrophobicContact CD2-CD2 4.32Å; F304-L332 HydrophobicContact CE2-CD1 4.38Å; F304-L332 HydrophobicContact CG-CD2 4.45Å; F304-I346 HydrophobicContact CD1-CD1 3.98Å; F304-I346 HydrophobicContact CE1-CD1 4.28Å
305E90.1Very high86.8Confident25 Ų2547.6 Ų47.612%0.11724%0.241CC..Hα-helixtrans-56.7-53178.2-70.1-65.1132.400111.7A301 E302 I307 F308 E309 S340 K341 C342A301-E305 WeakPolarHBondContact O-CG 3.3Å; A301-E305 PolarHBondContact O-N 3.36Å; E302-E305 PolarHBondContact O-N 2.93Å; E305-I307 PolarHBondContact O-N 3.14Å; E305-F308 PolarHBondContact O-N 3.12Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 WeakPolarHBondContact O-CG 3.35Å; E305-E309 PolarHBondContact O-N 2.98Å; E305-S340 VanDerWaalsContact OE1-C 3.23Å; E305-S340 WeakPolarHBondContact OE1-CA 3.49Å; E305-S340 VanDerWaalsContact OE1-CB 3.31Å; E305-S340 WeakPolarHBondContact OE1-CB 3.47Å; E305-K341 VanDerWaalsContact CD-N 3.29Å; E305-K341 PolarHBondContact OE1-N 3.48Å; E305-K341 WeakPolarHBondContact OE2-CB 3.43Å; E305-K341 WeakPolarHBondContact OE2-CG 3.26Å; E305-K341 PolarHBondContact OE2-N 3.43Å; E305-K341 VanDerWaalsContact OE2-N 3.08Å; E305-C342 WeakPolarHBondContact OE1-CB 3.48Å; E305-C342 PolarHBondContact OE1-N 3.12Å; E305-C342 PolarHBondContact OE1-SG 2.88Å; E305-C342 PolarHBondContact OE2-N 3.49Å
306K90.5Very high86.8Confident81 Ų8146.4 Ų46.435%0.35224%0.238SC..Hα-helixtrans-64.2-37-176.7-76.5171.8166.5171.70113.4L191 L195 E302 F304 T310L191-K306 HydrophobicContact CD2-CB 4.38Å; L191-K306 HydrophobicContact CD2-CD 3.52Å; L195-K306 HydrophobicContact CD1-CB 3.96Å; L195-K306 HydrophobicContact CD1-CD 4.37Å; E302-K306 HydrophobicContact CG-CD 4.06Å; E302-K306 WeakPolarHBondContact O-CB 3.32Å; E302-K306 WeakPolarHBondContact O-CG 3.25Å; E302-K306 PolarHBondContact O-N 2.87Å; E302-K306 VanDerWaalsContact OE1-CE 3.3Å; E302-K306 WeakPolarHBondContact OE1-CE 3.28Å; E302-K306 IonicContact OE1-NZ 2.9Å; E302-K306 PolarHBondContact OE1-NZ 3.28Å; F304-K306 PolarHBondContact O-N 3.41Å; K306-T310 WeakPolarHBondContact O-CB 3.49Å; K306-T310 PolarHBondContact O-N 3.24Å; K306-T310 PolarHBondContact O-OG1 3.02Å
307I91.2Very high86.9Confident1 Ų144.3 Ų44.31%0.00523%0.226CC..Hα-helixtrans-70.3-45.7176.7-70.5169.5000110.1L191 F194 L195 C215 Y218 L219 Q303 F304 E305 T310 L311L191-I307 HydrophobicContact CD1-CD1 3.99Å; L191-I307 HydrophobicContact CD1-CG1 4.05Å; F194-I307 HydrophobicContact CD1-CD1 4.06Å; F194-I307 HydrophobicContact CD1-CG1 4.41Å; F194-I307 HydrophobicContact CE1-CD1 3.96Å; F194-I307 HydrophobicContact CE1-CG1 4.33Å; L195-I307 HydrophobicContact CD2-CG1 3.91Å; C215-I307 HydrophobicContact CB-CG2 4.14Å; Y218-I307 HydrophobicContact CD1-CD1 3.29Å; Y218-I307 HydrophobicContact CE1-CD1 3.47Å; Y218-I307 VanDerWaalsContact CE1-CD1 3.47Å; Y218-I307 HydrophobicContact CG-CD1 4.11Å; L219-I307 HydrophobicContact CD1-CG2 3.94Å; L219-I307 HydrophobicContact CD2-CB 4.38Å; L219-I307 HydrophobicContact CD2-CD1 3.72Å; L219-I307 HydrophobicContact CG-CD1 4.14Å; L219-I307 HydrophobicContact CG-CG2 4.33Å; Q303-I307 WeakPolarHBondContact O-CB 3.47Å; Q303-I307 WeakPolarHBondContact O-CG1 3.31Å; Q303-I307 PolarHBondContact O-N 3.12Å; F304-I307 PolarHBondContact O-N 3.34Å; E305-I307 PolarHBondContact O-N 3.14Å; I307-T310 WeakPolarHBondContact O-CA 3.4Å; I307-T310 WeakPolarHBondContact O-CB 3.42Å; I307-T310 PolarHBondContact O-N 2.82Å; I307-T310 VanDerWaalsContact O-N 3.08Å; I307-L311 WeakPolarHBondContact O-CG 3.25Å; I307-L311 PolarHBondContact O-N 3.21Å
308F89.2Confident86.9Confident9 Ų946.8 Ų46.84%0.03924%0.236CC..Hα-helixtrans-64.8-40177.2-87.6-108.6000112.9L219 F304 E305 T310 L311 P314 W325 C342 D345 I346 I349L219-F308 HydrophobicContact CD1-CD2 4.24Å; L219-F308 HydrophobicContact CD1-CE2 3.75Å; F304-F308 HydrophobicContact CD1-CD2 4.22Å; F304-F308 AromaticContact CD1-CE2 3.81Å; F304-F308 HydrophobicContact CD1-CE2 3.81Å; F304-F308 HydrophobicContact CE1-CE2 4.13Å; F304-F308 WeakPolarHBondContact O-CB 3.49Å; F304-F308 VanDerWaalsContact O-CD2 3.32Å; F304-F308 WeakPolarHBondContact O-CD2 3.44Å; F304-F308 PolarHBondContact O-N 2.87Å; E305-F308 PolarHBondContact O-N 3.12Å; F308-T310 PolarHBondContact O-N 3.21Å; F308-L311 PolarHBondContact O-N 3.32Å; F308-L311 VanDerWaalsContact O-N 3.08Å; F308-P314 HydrophobicContact CD1-CB 3.46Å; F308-P314 VanDerWaalsContact CD1-CB 3.46Å; F308-P314 HydrophobicContact CD1-CG 4.43Å; F308-P314 HydrophobicContact CE1-CB 3.78Å; F308-P314 HydrophobicContact CG-CB 4.44Å; F308-W325 HydrophobicContact CE2-CH2 4.41Å; F308-W325 HydrophobicContact CZ-CH2 4.3Å; F308-C342 HydrophobicContact CB-CB 3.69Å; F308-C342 HydrophobicContact CD1-CB 3.98Å; F308-C342 HydrophobicContact CD2-CB 4.29Å; F308-C342 HydrophobicContact CG-CB 3.73Å; F308-D345 HydrophobicContact CD1-CB 4.23Å; F308-D345 HydrophobicContact CE1-CB 4.26Å; F308-I346 HydrophobicContact CE1-CG1 3.92Å; F308-I346 HydrophobicContact CE2-CD1 4.42Å; F308-I346 HydrophobicContact CE2-CG1 4.43Å; F308-I346 HydrophobicContact CZ-CD1 4.17Å; F308-I346 HydrophobicContact CZ-CG1 3.71Å; F308-I349 HydrophobicContact CE1-CD1 3.92Å; F308-I349 HydrophobicContact CZ-CD1 4.24Å
309E88.4Confident86.8Confident115 Ų11548.4 Ų48.454%0.53725%0.249SC..Hα-helixtrans-60.6-26.2172.2-76.5-175.4158.600112.6E305 K341E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 WeakPolarHBondContact O-CG 3.35Å; E305-E309 PolarHBondContact O-N 2.98Å; E309-K341 IonicContact OE1-NZ 2.79Å; E309-K341 PolarHBondContact OE1-NZ 3.15Å
310T86.8Confident86.8Confident38 Ų3847.3 Ų47.323%0.23324%0.241CC..Hα-helixtrans-81.5-23.9176.7-57.90000111.9L195 I198 R202 K306 I307 F308L195-T310 HydrophobicContact CD2-CG2 4.46Å; I198-T310 HydrophobicContact CG2-CG2 4.27Å; R202-T310 PolarHBondContact NH1-O 3.28Å; K306-T310 WeakPolarHBondContact O-CB 3.49Å; K306-T310 PolarHBondContact O-N 3.24Å; K306-T310 PolarHBondContact O-OG1 3.02Å; I307-T310 WeakPolarHBondContact O-CA 3.4Å; I307-T310 WeakPolarHBondContact O-CB 3.42Å; I307-T310 PolarHBondContact O-N 2.82Å; I307-T310 VanDerWaalsContact O-N 3.08Å; F308-T310 PolarHBondContact O-N 3.21Å
311L86.6Confident87.1Confident10 Ų1047.7 Ų47.75%0.05224%0.242CC..  trans-80.9127.2-178.8-60.9-176.3000112L212 I307 F308 K313 P314 I317L212-L311 HydrophobicContact CD2-CD1 4.02Å; L212-L311 HydrophobicContact CD2-CD2 4.11Å; I307-L311 WeakPolarHBondContact O-CG 3.25Å; I307-L311 PolarHBondContact O-N 3.21Å; F308-L311 PolarHBondContact O-N 3.32Å; F308-L311 VanDerWaalsContact O-N 3.08Å; L311-K313 VanDerWaalsContact C-N 3.27Å; L311-K313 PolarHBondContact O-N 2.8Å; L311-P314 HydrophobicContact CB-CB 4.36Å; L311-P314 HydrophobicContact CD1-CB 4.41Å; L311-I317 HydrophobicContact CD1-CD1 4.42Å
312P82.1Confident87.3Confident94 Ų9448.2 Ų48.261%0.6124%0.241SC*.SBendtrans-70.9-25.1178.230.1-35.1000112.7E208E208-P312 WeakPolarHBondContact OE1-CD 3.22Å
313K85.6Confident87.4Confident133 Ų13345.4 Ų45.458%0.57823%0.23SC*.  trans-140.582.1175.9-69.3-177.9-179175.50109.4L311 N315 D316L311-K313 VanDerWaalsContact C-N 3.27Å; L311-K313 PolarHBondContact O-N 2.8Å; K313-N315 PolarHBondContact O-N 2.71Å; K313-N315 VanDerWaalsContact O-N 3.12Å; K313-D316 HydrophobicContact CB-CB 4.4Å; K313-D316 VanDerWaalsContact CB-OD2 3.3Å; K313-D316 WeakPolarHBondContact CB-OD2 3.4Å; K313-D316 WeakPolarHBondContact CD-OD2 3.42Å; K313-D316 PolarHBondContact O-N 3.44Å; K313-D316 VanDerWaalsContact O-N 3.07Å
314P81.8Confident87.4Confident17 Ų1748 Ų4811%0.1125%0.246CC..G310 helixtrans-58.7-28.6-177.821.4-32.3000113F308 L311 D316 I317 D345F308-P314 HydrophobicContact CD1-CB 3.46Å; F308-P314 VanDerWaalsContact CD1-CB 3.46Å; F308-P314 HydrophobicContact CD1-CG 4.43Å; F308-P314 HydrophobicContact CE1-CB 3.78Å; F308-P314 HydrophobicContact CG-CB 4.44Å; L311-P314 HydrophobicContact CB-CB 4.36Å; L311-P314 HydrophobicContact CD1-CB 4.41Å; P314-D316 PolarHBondContact O-N 2.7Å; P314-D316 VanDerWaalsContact O-N 3.15Å; P314-I317 WeakPolarHBondContact O-CB 3.12Å; P314-I317 WeakPolarHBondContact O-CG2 3.4Å; P314-I317 PolarHBondContact O-N 3.48Å; P314-D345 HydrophobicContact CB-CB 4.14Å; P314-D345 HydrophobicContact CG-CB 3.89Å
315N80.7Confident87.4Confident47 Ų4748 Ų4825%0.25125%0.246SC..G310 helixtrans-62.2-17.8177.3-66.2-29.7000115K313 I317 Y318K313-N315 PolarHBondContact O-N 2.71Å; K313-N315 VanDerWaalsContact O-N 3.12Å; N315-I317 VanDerWaalsContact C-N 3.3Å; N315-Y318 WeakPolarHBondContact O-CB 3.26Å
316D85.9Confident87.5Confident62 Ų6246.8 Ų46.833%0.33224%0.24SC..G310 helixtrans-82.5-10.2-177.7-64.1-9.7000111.9L212 K313 P314 Y318L212-D316 HydrophobicContact CD1-CB 3.82Å; K313-D316 HydrophobicContact CB-CB 4.4Å; K313-D316 VanDerWaalsContact CB-OD2 3.3Å; K313-D316 WeakPolarHBondContact CB-OD2 3.4Å; K313-D316 WeakPolarHBondContact CD-OD2 3.42Å; K313-D316 PolarHBondContact O-N 3.44Å; K313-D316 VanDerWaalsContact O-N 3.07Å; P314-D316 PolarHBondContact O-N 2.7Å; P314-D316 VanDerWaalsContact O-N 3.15Å; D316-Y318 PolarHBondContact O-N 3.11Å; D316-Y318 VanDerWaalsContact O-N 3.16Å
317I88.1Confident87.4Confident0 Ų043.2 Ų43.20%023%0.225CC..G310 helixtrans-63.8-16.7171.2-152.5172.6000112.7L212 C215 A216 L219 L311 P314 N315 D319 F320 I321 W325 I349L212-I317 HydrophobicContact CD2-CB 4.19Å; L212-I317 HydrophobicContact CD2-CG1 4.43Å; C215-I317 HydrophobicContact CB-CD1 4.44Å; A216-I317 HydrophobicContact CB-CD1 4.2Å; A216-I317 HydrophobicContact CB-CG1 4.01Å; L219-I317 HydrophobicContact CD1-CD1 4.35Å; L311-I317 HydrophobicContact CD1-CD1 4.42Å; P314-I317 WeakPolarHBondContact O-CB 3.12Å; P314-I317 WeakPolarHBondContact O-CG2 3.4Å; P314-I317 PolarHBondContact O-N 3.48Å; N315-I317 VanDerWaalsContact C-N 3.3Å; I317-D319 PolarHBondContact O-N 2.94Å; I317-F320 PolarHBondContact O-N 3.08Å; I317-I321 HydrophobicContact CG1-CG2 4.32Å; I317-I321 HydrophobicContact CG2-CD1 4.41Å; I317-W325 HydrophobicContact CD1-CH2 4.5Å; I317-W325 HydrophobicContact CD1-CZ2 4.39Å; I317-I349 HydrophobicContact CG2-CD1 3.65Å; I317-I349 HydrophobicContact CG2-CG1 4.44Å
318Y85.5Confident87.3Confident58 Ų5844.9 Ų44.923%0.22723%0.232CC..G310 helixtrans-46.8-41.5177.8168.9-86.2000113.5N315 D316 F320 R352 M353N315-Y318 WeakPolarHBondContact O-CB 3.26Å; D316-Y318 PolarHBondContact O-N 3.11Å; D316-Y318 VanDerWaalsContact O-N 3.16Å; Y318-F320 PolarHBondContact O-N 3.43Å; Y318-R352 HydrophobicContact CD2-CB 3.78Å; Y318-R352 HydrophobicContact CE2-CB 3.73Å; Y318-M353 HydrophobicContact CD2-CG 3.43Å; Y318-M353 VanDerWaalsContact CD2-CG 3.43Å; Y318-M353 HydrophobicContact CD2-SD 4.42Å; Y318-M353 HydrophobicContact CE2-CB 4.2Å; Y318-M353 HydrophobicContact CE2-CG 3.33Å
319D85.9Confident87.3Confident125 Ų12544.5 Ų44.567%0.66823%0.23SC*.G310 helixtrans-70.2-11.5-177-73.2-22.9000113.5I317I317-D319 PolarHBondContact O-N 2.94Å
320F86.7Confident87.3Confident49 Ų4939 Ų3922%0.21521%0.205CC..G310 helixtrans-1151.8-172.6-58.5-86000113.8K209 L212 D213 A216 L271 I317 Y318K209-F320 HydrophobicContact CB-CZ 3.79Å; K209-F320 HydrophobicContact CG-CZ 4.02Å; K209-F320 WeakPolarHBondContact O-CE1 3.37Å; K209-F320 WeakPolarHBondContact O-CZ 3.46Å; L212-F320 HydrophobicContact CB-CD2 3.74Å; L212-F320 HydrophobicContact CB-CE2 3.7Å; L212-F320 HydrophobicContact CB-CG 4.46Å; L212-F320 HydrophobicContact CB-CZ 4.39Å; L212-F320 HydrophobicContact CD1-CE2 4.1Å; D213-F320 HydrophobicContact CB-CD1 3.7Å; D213-F320 HydrophobicContact CB-CE1 3.92Å; A216-F320 HydrophobicContact CB-CB 3.74Å; L271-F320 VanDerWaalsContact CD2-O 3.29Å; L271-F320 WeakPolarHBondContact CD2-O 3.44Å; I317-F320 PolarHBondContact O-N 3.08Å; Y318-F320 PolarHBondContact O-N 3.43Å
321I90.4Very high87.2Confident16 Ų1641 Ų418%0.08221%0.214CC..  trans-121.6154.5-175.260.6168.2000112.6A216 I317 W325 I326 I349 M353A216-I321 HydrophobicContact CB-CG2 3.86Å; I317-I321 HydrophobicContact CG1-CG2 4.32Å; I317-I321 HydrophobicContact CG2-CD1 4.41Å; I321-W325 HydrophobicContact CB-CB 4.22Å; I321-W325 HydrophobicContact CB-CD2 4Å; I321-W325 HydrophobicContact CB-CE3 4.07Å; I321-W325 HydrophobicContact CB-CG 4.06Å; I321-W325 HydrophobicContact CD1-CD2 4.44Å; I321-W325 HydrophobicContact CD1-CE3 3.66Å; I321-W325 HydrophobicContact CD1-CZ3 3.87Å; I321-W325 HydrophobicContact CG1-CE3 4.49Å; I321-W325 HydrophobicContact CG2-CD2 3.57Å; I321-W325 HydrophobicContact CG2-CE3 3.86Å; I321-W325 HydrophobicContact CG2-CG 3.88Å; I321-W325 HydrophobicContact CG2-CH2 4.49Å; I321-W325 HydrophobicContact CG2-CZ2 4.18Å; I321-W325 HydrophobicContact CG2-CZ3 4.33Å; I321-I326 HydrophobicContact CD1-CB 4.39Å; I321-I326 HydrophobicContact CD1-CD1 4.36Å; I321-I349 HydrophobicContact CD1-CG2 3.54Å; I321-M353 HydrophobicContact CD1-CE 4.22Å; I321-M353 HydrophobicContact CD1-SD 3.54Å; I321-M353 VanDerWaalsContact CD1-SD 3.54Å; I321-M353 HydrophobicContact CG1-CE 3.91Å; I321-M353 HydrophobicContact CG1-SD 3.87Å; I321-M353 WeakPolarHBondContact O-CE 3.35Å
322N90.5Very high87.1Confident42 Ų4240.7 Ų40.723%0.22521%0.212CC..  trans-110175.3178.268.118.7000111.7C269 G270 T324 W325 I326C269-N322 PolarHBondContact O-ND2 3.08Å; C269-N322 PolarHBondContact O-OD1 3.26Å; G270-N322 PolarHBondContact O-ND2 3.33Å; N322-T324 VanDerWaalsContact C-N 3.3Å; N322-T324 PolarHBondContact O-N 3.09Å; N322-T324 WeakPolarHBondContact OD1-CB 3.3Å; N322-T324 PolarHBondContact OD1-N 2.7Å; N322-W325 PolarHBondContact O-N 2.77Å; N322-W325 WeakPolarHBondContact OD1-CB 3.38Å; N322-W325 PolarHBondContact OD1-N 2.97Å; N322-I326 PolarHBondContact O-N 2.9Å
323T89.1Confident87.2Confident31 Ų3136.2 Ų36.219%0.1918%0.183CC..Hα-helixtrans-61.1-37.6-179.650.60000112.4W325 I326 I327 N356 F357T323-W325 PolarHBondContact O-N 2.98Å; T323-I326 VanDerWaalsContact O-CG2 3.29Å; T323-I326 WeakPolarHBondContact O-CG2 3.36Å; T323-I326 PolarHBondContact O-N 2.75Å; T323-I327 WeakPolarHBondContact O-CB 3.49Å; T323-I327 WeakPolarHBondContact O-CD1 3.43Å; T323-I327 WeakPolarHBondContact O-CG1 3.37Å; T323-I327 PolarHBondContact O-N 2.74Å; T323-N356 HydrophobicContact CG2-CB 4.27Å; T323-F357 HydrophobicContact CG2-CD2 3.93Å; T323-F357 HydrophobicContact CG2-CE2 4.29Å; T323-F357 HydrophobicContact CG2-CG 4.49Å
324T88.9Confident86.9Confident54 Ų5431.6 Ų31.633%0.33117%0.165SC..Hα-helixtrans-57.6-49.4175.3-54.70000112C269 N322 I327 K328C269-T324 HydrophobicContact CB-CG2 4.2Å; C269-T324 WeakPolarHBondContact O-CB 3.41Å; N322-T324 VanDerWaalsContact C-N 3.3Å; N322-T324 PolarHBondContact O-N 3.09Å; N322-T324 WeakPolarHBondContact OD1-CB 3.3Å; N322-T324 PolarHBondContact OD1-N 2.7Å; T324-I327 PolarHBondContact O-N 2.66Å; T324-K328 WeakPolarHBondContact O-CG 3.41Å; T324-K328 PolarHBondContact O-N 3.31Å
325W92.4Very high86.7Confident0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-58.1-51-179.8-171109.3000111A216 L219 L223 C269 F304 F308 I317 I321 N322 T323 I327 K328 A329A216-W325 PolarHBondContact O-NE1 3.4Å; L219-W325 HydrophobicContact CB-CZ2 3.6Å; L219-W325 HydrophobicContact CD1-CH2 4.3Å; L219-W325 HydrophobicContact CD1-CZ2 3.83Å; L219-W325 HydrophobicContact CG-CZ2 4.4Å; L223-W325 HydrophobicContact CD1-CD2 3.87Å; L223-W325 HydrophobicContact CD1-CE3 4.49Å; L223-W325 HydrophobicContact CD1-CG 3.94Å; L223-W325 WeakPolarHBondContact CD1-O 3.39Å; C269-W325 HydrophobicContact CB-CB 3.89Å; C269-W325 HydrophobicContact CB-CG 4.37Å; F304-W325 AromaticContact CE1-CH2 3.88Å; F304-W325 HydrophobicContact CE1-CH2 3.88Å; F304-W325 HydrophobicContact CE1-CZ2 4.13Å; F304-W325 HydrophobicContact CZ-CH2 4.4Å; F304-W325 HydrophobicContact CZ-CZ2 4.26Å; F308-W325 HydrophobicContact CE2-CH2 4.41Å; F308-W325 HydrophobicContact CZ-CH2 4.3Å; I317-W325 HydrophobicContact CD1-CH2 4.5Å; I317-W325 HydrophobicContact CD1-CZ2 4.39Å; I321-W325 HydrophobicContact CB-CB 4.22Å; I321-W325 HydrophobicContact CB-CD2 4Å; I321-W325 HydrophobicContact CB-CE3 4.07Å; I321-W325 HydrophobicContact CB-CG 4.06Å; I321-W325 HydrophobicContact CD1-CD2 4.44Å; I321-W325 HydrophobicContact CD1-CE3 3.66Å; I321-W325 HydrophobicContact CD1-CZ3 3.87Å; I321-W325 HydrophobicContact CG1-CE3 4.49Å; I321-W325 HydrophobicContact CG2-CD2 3.57Å; I321-W325 HydrophobicContact CG2-CE3 3.86Å; I321-W325 HydrophobicContact CG2-CG 3.88Å; I321-W325 HydrophobicContact CG2-CH2 4.49Å; I321-W325 HydrophobicContact CG2-CZ2 4.18Å; I321-W325 HydrophobicContact CG2-CZ3 4.33Å; N322-W325 PolarHBondContact O-N 2.77Å; N322-W325 WeakPolarHBondContact OD1-CB 3.38Å; N322-W325 PolarHBondContact OD1-N 2.97Å; T323-W325 PolarHBondContact O-N 2.98Å; W325-I327 PolarHBondContact O-N 2.62Å; W325-K328 PolarHBondContact O-N 3.44Å; W325-A329 HydrophobicContact CE3-CB 4.1Å; W325-A329 HydrophobicContact CH2-CB 4.44Å; W325-A329 HydrophobicContact CZ3-CB 3.84Å; W325-A329 WeakPolarHBondContact O-CB 3.34Å; W325-A329 PolarHBondContact O-N 3.2Å
326I90.8Very high86.2Confident0 Ų035.1 Ų35.10%019%0.189CC..Hα-helixtrans-69.3-33.5-176.1-167.862.1000112.3I321 N322 T323 A329 L330 I346 I349 A350 M353 F357I321-I326 HydrophobicContact CD1-CB 4.39Å; I321-I326 HydrophobicContact CD1-CD1 4.36Å; N322-I326 PolarHBondContact O-N 2.9Å; T323-I326 VanDerWaalsContact O-CG2 3.29Å; T323-I326 WeakPolarHBondContact O-CG2 3.36Å; T323-I326 PolarHBondContact O-N 2.75Å; I326-A329 PolarHBondContact O-N 2.75Å; I326-L330 HydrophobicContact CG1-CD1 4.34Å; I326-L330 WeakPolarHBondContact O-CB 3.45Å; I326-L330 WeakPolarHBondContact O-CD1 3.5Å; I326-L330 WeakPolarHBondContact O-CG 3.2Å; I326-L330 PolarHBondContact O-N 3.2Å; I326-I346 HydrophobicContact CD1-CG2 3.97Å; I326-I349 HydrophobicContact CD1-CB 4.23Å; I326-I349 HydrophobicContact CD1-CG2 3.8Å; I326-I349 HydrophobicContact CG1-CG2 4.5Å; I326-A350 HydrophobicContact CD1-CB 4.24Å; I326-A350 HydrophobicContact CG1-CB 3.83Å; I326-M353 HydrophobicContact CB-SD 3.68Å; I326-M353 HydrophobicContact CG1-SD 3.92Å; I326-M353 HydrophobicContact CG2-CE 4.08Å; I326-M353 HydrophobicContact CG2-SD 3.59Å; I326-M353 VanDerWaalsContact CG2-SD 3.59Å; I326-F357 HydrophobicContact CG2-CE2 3.8Å; I326-F357 HydrophobicContact CG2-CZ 3.69Å
327I88.5Confident85.4Confident6 Ų636.4 Ų36.43%0.03119%0.192CC..Hα-helixtrans-66.3-44.9175.1-66.2160.3000110.5T323 T324 W325 A329 L330 L331 F357 D361 K364 L365T323-I327 WeakPolarHBondContact O-CB 3.49Å; T323-I327 WeakPolarHBondContact O-CD1 3.43Å; T323-I327 WeakPolarHBondContact O-CG1 3.37Å; T323-I327 PolarHBondContact O-N 2.74Å; T324-I327 PolarHBondContact O-N 2.66Å; W325-I327 PolarHBondContact O-N 2.62Å; I327-A329 PolarHBondContact O-N 2.64Å; I327-L330 PolarHBondContact O-N 3.45Å; I327-L331 HydrophobicContact CG2-CD1 4.21Å; I327-L331 WeakPolarHBondContact O-CG 3.14Å; I327-L331 PolarHBondContact O-N 3.02Å; I327-F357 HydrophobicContact CD1-CE1 4.06Å; I327-F357 HydrophobicContact CG1-CE1 3.73Å; I327-F357 HydrophobicContact CG1-CZ 4Å; I327-D361 HydrophobicContact CD1-CB 3.56Å; I327-D361 WeakPolarHBondContact CD1-OD1 3.43Å; I327-K364 HydrophobicContact CD1-CD 4.21Å; I327-K364 HydrophobicContact CG2-CB 4.09Å; I327-K364 HydrophobicContact CG2-CD 4.05Å; I327-L365 HydrophobicContact CG2-CD2 4.39Å
328K89.2Confident84.1Confident37 Ų3743.3 Ų43.316%0.16123%0.234CC..Hα-helixtrans-63.4-40.5175.6-67.1-168.4-168.6-165.20111.8L223 D224 D227 T324 W325 L331 L332L223-K328 HydrophobicContact CB-CB 4.12Å; L223-K328 HydrophobicContact CB-CD 4.25Å; L223-K328 HydrophobicContact CD1-CB 4.13Å; L223-K328 HydrophobicContact CD2-CB 3.99Å; L223-K328 HydrophobicContact CG-CB 4.3Å; D224-K328 IonicContact OD1-NZ 2.62Å; D224-K328 PolarHBondContact OD1-NZ 3.35Å; D227-K328 HydrophobicContact CB-CD 4.23Å; D227-K328 WeakPolarHBondContact OD2-CE 3.43Å; D227-K328 IonicContact OD2-NZ 2.71Å; D227-K328 PolarHBondContact OD2-NZ 3.13Å; T324-K328 WeakPolarHBondContact O-CG 3.41Å; T324-K328 PolarHBondContact O-N 3.31Å; W325-K328 PolarHBondContact O-N 3.44Å; K328-L331 PolarHBondContact O-N 3.4Å; K328-L332 WeakPolarHBondContact O-CB 3.38Å; K328-L332 PolarHBondContact O-N 3.36Å
329A89.8Confident83.1Confident0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-63.6-40175.300000112.9L223 F304 W325 I326 I327 L332 T333 I346L223-A329 HydrophobicContact CD1-CB 4.24Å; L223-A329 HydrophobicContact CD2-CB 4.34Å; F304-A329 HydrophobicContact CE1-CB 4.18Å; F304-A329 HydrophobicContact CZ-CB 4.43Å; W325-A329 HydrophobicContact CE3-CB 4.1Å; W325-A329 HydrophobicContact CH2-CB 4.44Å; W325-A329 HydrophobicContact CZ3-CB 3.84Å; W325-A329 WeakPolarHBondContact O-CB 3.34Å; W325-A329 PolarHBondContact O-N 3.2Å; I326-A329 PolarHBondContact O-N 2.75Å; I327-A329 PolarHBondContact O-N 2.64Å; A329-L332 PolarHBondContact O-N 3Å; A329-T333 WeakPolarHBondContact O-CG2 3.41Å; A329-T333 PolarHBondContact O-N 3.37Å; A329-T333 PolarHBondContact O-OG1 3.1Å; A329-T333 VanDerWaalsContact O-OG1 3.08Å; A329-I346 HydrophobicContact CB-CD1 4.49Å; A329-I346 HydrophobicContact CB-CG2 4.16Å
330L87.9Confident82.4Confident1 Ų143.9 Ų43.91%0.00523%0.234CC..Hα-helixtrans-62-45.8173.3-74.8164.2000111.5I326 I327 T333 D334 I346 L347 A350 L365 V369 I373I326-L330 HydrophobicContact CG1-CD1 4.34Å; I326-L330 WeakPolarHBondContact O-CB 3.45Å; I326-L330 WeakPolarHBondContact O-CD1 3.5Å; I326-L330 WeakPolarHBondContact O-CG 3.2Å; I326-L330 PolarHBondContact O-N 3.2Å; I327-L330 PolarHBondContact O-N 3.45Å; L330-T333 PolarHBondContact O-N 3.08Å; L330-T333 PolarHBondContact O-OG1 2.97Å; L330-T333 VanDerWaalsContact O-OG1 3.08Å; L330-D334 WeakPolarHBondContact O-CB 2.91Å; L330-D334 PolarHBondContact O-N 3.5Å; L330-I346 HydrophobicContact CD2-CG2 4.02Å; L330-I346 HydrophobicContact CG-CG2 4.24Å; L330-L347 HydrophobicContact CD2-CD2 3.74Å; L330-A350 HydrophobicContact CD1-CB 3.85Å; L330-A350 HydrophobicContact CD2-CB 4.06Å; L330-A350 HydrophobicContact CG-CB 4.31Å; L330-L365 HydrophobicContact CD1-CD2 4.01Å; L330-V369 HydrophobicContact CB-CG1 4.42Å; L330-V369 HydrophobicContact CD1-CG1 4.5Å; L330-V369 HydrophobicContact CD2-CG1 4.21Å; L330-I373 HydrophobicContact CD1-CD1 3.74Å; L330-I373 HydrophobicContact CD2-CD1 4.06Å; L330-I373 HydrophobicContact CD2-CG1 4.02Å
331L85.9Confident82.1Confident80 Ų8048.5 Ų48.542%0.41925%0.254SS..Hα-helixtrans-62.5-42.8177.3-68.1170.1000112.1I327 K328 T333 D334 S335I327-L331 HydrophobicContact CG2-CD1 4.21Å; I327-L331 WeakPolarHBondContact O-CG 3.14Å; I327-L331 PolarHBondContact O-N 3.02Å; K328-L331 PolarHBondContact O-N 3.4Å; L331-T333 PolarHBondContact O-N 3.11Å; L331-D334 PolarHBondContact O-N 3.28Å; L331-S335 PolarHBondContact O-N 3.08Å; L331-S335 VanDerWaalsContact O-N 3.14Å; L331-S335 PolarHBondContact O-OG 3.27Å
332L84.5Confident81.8Confident2 Ų248 Ų481%0.0125%0.252CS..Hα-helixtrans-61.9-41.5176.5177.4147.6000112.5L223 Y226 T300 F304 K328 A329 N336L223-L332 HydrophobicContact CD2-CB 4.39Å; L223-L332 HydrophobicContact CD2-CD1 4.09Å; Y226-L332 HydrophobicContact CD1-CB 4.31Å; Y226-L332 HydrophobicContact CD1-CD1 4.14Å; Y226-L332 HydrophobicContact CD2-CD1 4.21Å; Y226-L332 HydrophobicContact CE1-CB 4.08Å; Y226-L332 HydrophobicContact CE1-CD1 4.48Å; Y226-L332 HydrophobicContact CE1-CG 4.48Å; Y226-L332 HydrophobicContact CG-CD1 3.99Å; T300-L332 WeakPolarHBondContact OG1-CD1 3.47Å; F304-L332 HydrophobicContact CD2-CD1 4.38Å; F304-L332 HydrophobicContact CD2-CD2 4.32Å; F304-L332 HydrophobicContact CE2-CD1 4.38Å; F304-L332 HydrophobicContact CG-CD2 4.45Å; K328-L332 WeakPolarHBondContact O-CB 3.38Å; K328-L332 PolarHBondContact O-N 3.36Å; A329-L332 PolarHBondContact O-N 3Å; L332-N336 PolarHBondContact O-ND2 3.29Å
333T82.7Confident81.6Confident0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-76.6-25.4176.657.20000113A329 L330 L331 N336 K337 R343 I346A329-T333 WeakPolarHBondContact O-CG2 3.41Å; A329-T333 PolarHBondContact O-N 3.37Å; A329-T333 PolarHBondContact O-OG1 3.1Å; A329-T333 VanDerWaalsContact O-OG1 3.08Å; L330-T333 PolarHBondContact O-N 3.08Å; L330-T333 PolarHBondContact O-OG1 2.97Å; L330-T333 VanDerWaalsContact O-OG1 3.08Å; L331-T333 PolarHBondContact O-N 3.11Å; T333-N336 CarbonylContact O-C 3.23Å; T333-N336 VanDerWaalsContact O-C 3.23Å; T333-N336 PolarHBondContact O-N 3.26Å; T333-K337 PolarHBondContact O-N 3.14Å; T333-R343 VanDerWaalsContact C-NH1 3.34Å; T333-R343 HydrophobicContact CG2-CB 4.26Å; T333-R343 PolarHBondContact O-NH1 3.34Å; T333-R343 PolarHBondContact OG1-NH1 2.87Å; T333-I346 HydrophobicContact CG2-CD1 3.64Å
334D80.6Confident81.4Confident37 Ų3746.9 Ų46.920%0.19824%0.243CC..Hα-helixtrans-69.9-39.4175.2-13357.4000112.3L330 L331 N336 K337 R343 V369L330-D334 WeakPolarHBondContact O-CB 2.91Å; L330-D334 PolarHBondContact O-N 3.5Å; L331-D334 PolarHBondContact O-N 3.28Å; D334-N336 PolarHBondContact O-N 3.28Å; D334-K337 WeakPolarHBondContact O-CG 3.3Å; D334-K337 WeakPolarHBondContact OD1-CE 3.5Å; D334-K337 IonicContact OD1-NZ 2.75Å; D334-K337 PolarHBondContact OD1-NZ 3.1Å; D334-K337 WeakPolarHBondContact OD2-CE 3.49Å; D334-K337 IonicContact OD2-NZ 2.69Å; D334-K337 PolarHBondContact OD2-NZ 3.12Å; D334-R343 IonicContact OD1-CZ 3.76Å; D334-R343 VanDerWaalsContact OD1-CZ 3.24Å; D334-R343 IonicContact OD1-NH1 2.73Å; D334-R343 PolarHBondContact OD1-NH1 3.45Å; D334-R343 IonicContact OD1-NH2 2.69Å; D334-R343 PolarHBondContact OD1-NH2 3.15Å; D334-V369 HydrophobicContact CB-CG2 4.11Å; D334-V369 WeakPolarHBondContact OD1-CG2 3.33Å; D334-V369 WeakPolarHBondContact OD2-CG2 3.4Å
335S76.5Confident81.3Confident87 Ų8746.1 Ų46.161%0.60824%0.237SC*.THydrogen-bonded Turntrans-63.3-20.9169.8-64.50000113L331L331-S335 PolarHBondContact O-N 3.08Å; L331-S335 VanDerWaalsContact O-N 3.14Å; L331-S335 PolarHBondContact O-OG 3.27Å
336N71.7Confident81.1Confident50 Ų5046.1 Ų46.127%0.26724%0.237SC..THydrogen-bonded Turntrans-120.729.4-174.5-68.9-70.2000113.7L332 T333 D334 V338 K339 S340L332-N336 PolarHBondContact O-ND2 3.29Å; T333-N336 CarbonylContact O-C 3.23Å; T333-N336 VanDerWaalsContact O-C 3.23Å; T333-N336 PolarHBondContact O-N 3.26Å; D334-N336 PolarHBondContact O-N 3.28Å; N336-V338 PolarHBondContact O-N 3.3Å; N336-K339 PolarHBondContact O-N 3.28Å; N336-S340 PolarHBondContact O-N 2.71Å; N336-S340 PolarHBondContact O-OG 3.34Å
337K67.4Low81Confident89 Ų8946.2 Ų46.239%0.38724%0.237SC..THydrogen-bonded Turntrans-44.6-39.9-176.2-86.2174.6-167.2-178.60115.4T333 D334 S368T333-K337 PolarHBondContact O-N 3.14Å; D334-K337 WeakPolarHBondContact O-CG 3.3Å; D334-K337 WeakPolarHBondContact OD1-CE 3.5Å; D334-K337 IonicContact OD1-NZ 2.75Å; D334-K337 PolarHBondContact OD1-NZ 3.1Å; D334-K337 WeakPolarHBondContact OD2-CE 3.49Å; D334-K337 IonicContact OD2-NZ 2.69Å; D334-K337 PolarHBondContact OD2-NZ 3.12Å; K337-S368 PolarHBondContact NZ-OG 3.4Å
338V62.1Low80.9Confident146 Ų14648.2 Ų48.289%0.88525%0.246SC*.THydrogen-bonded Turntrans-78.1-19-172.3-175.40000113N336N336-V338 PolarHBondContact O-N 3.3Å
339K64.4Low80.8Confident175 Ų17546.5 Ų46.576%0.76124%0.238SC*.THydrogen-bonded Turntrans-117.7-18.2-167.2-66.2-175.1179.8179.40115.4N336N336-K339 PolarHBondContact O-N 3.28Å
340S71Confident80.8Confident20 Ų2046.5 Ų46.514%0.1424%0.238CC..  trans-93.7112.8-169.241.50000112.4E305 N336 R343E305-S340 VanDerWaalsContact OE1-C 3.23Å; E305-S340 WeakPolarHBondContact OE1-CA 3.49Å; E305-S340 VanDerWaalsContact OE1-CB 3.31Å; E305-S340 WeakPolarHBondContact OE1-CB 3.47Å; N336-S340 PolarHBondContact O-N 2.71Å; N336-S340 PolarHBondContact O-OG 3.34Å; S340-R343 WeakPolarHBondContact O-CB 3.5Å
341K79.1Confident80.7Confident145 Ų14548.6 Ų48.663%0.6325%0.247SC*.SBendtrans-73.3-37.1171-45.9170.6-167.6165.50110E305 E309 R343 L344E305-K341 VanDerWaalsContact CD-N 3.29Å; E305-K341 PolarHBondContact OE1-N 3.48Å; E305-K341 WeakPolarHBondContact OE2-CB 3.43Å; E305-K341 WeakPolarHBondContact OE2-CG 3.26Å; E305-K341 PolarHBondContact OE2-N 3.43Å; E305-K341 VanDerWaalsContact OE2-N 3.08Å; E309-K341 IonicContact OE1-NZ 2.79Å; E309-K341 PolarHBondContact OE1-NZ 3.15Å; K341-R343 PolarHBondContact O-N 3.34Å; K341-R343 VanDerWaalsContact O-N 3.14Å; K341-L344 PolarHBondContact O-N 3.14Å
342C85.2Confident80.6Confident6 Ų651.5 Ų51.54%0.04125%0.253CS..THydrogen-bonded Turntrans-65.5-15.8-179.573.80000113.3E305 F308 L344 D345 I346E305-C342 WeakPolarHBondContact OE1-CB 3.48Å; E305-C342 PolarHBondContact OE1-N 3.12Å; E305-C342 PolarHBondContact OE1-SG 2.88Å; E305-C342 PolarHBondContact OE2-N 3.49Å; F308-C342 HydrophobicContact CB-CB 3.69Å; F308-C342 HydrophobicContact CD1-CB 3.98Å; F308-C342 HydrophobicContact CD2-CB 4.29Å; F308-C342 HydrophobicContact CG-CB 3.73Å; C342-L344 PolarHBondContact O-N 2.95Å; C342-D345 PolarHBondContact O-N 3.13Å; C342-D345 VanDerWaalsContact O-N 3.12Å; C342-I346 HydrophobicContact CB-CD1 4.43Å; C342-I346 WeakPolarHBondContact O-CG1 3.49Å; C342-I346 PolarHBondContact O-N 2.9Å
343R85.5Confident80.8Confident20 Ų2051.5 Ų51.58%0.07525%0.253CS..Hα-helixtrans-51.5-43.5175.6179.4177.5175.885.7-6111.9T333 D334 S340 K341 D345 I346 L347 D372T333-R343 VanDerWaalsContact C-NH1 3.34Å; T333-R343 HydrophobicContact CG2-CB 4.26Å; T333-R343 PolarHBondContact O-NH1 3.34Å; T333-R343 PolarHBondContact OG1-NH1 2.87Å; D334-R343 IonicContact OD1-CZ 3.76Å; D334-R343 VanDerWaalsContact OD1-CZ 3.24Å; D334-R343 IonicContact OD1-NH1 2.73Å; D334-R343 PolarHBondContact OD1-NH1 3.45Å; D334-R343 IonicContact OD1-NH2 2.69Å; D334-R343 PolarHBondContact OD1-NH2 3.15Å; S340-R343 WeakPolarHBondContact O-CB 3.5Å; K341-R343 PolarHBondContact O-N 3.34Å; K341-R343 VanDerWaalsContact O-N 3.14Å; R343-D345 VanDerWaalsContact C-N 3.3Å; R343-D345 PolarHBondContact O-N 2.99Å; R343-I346 PolarHBondContact O-N 3.33Å; R343-L347 HydrophobicContact CG-CD1 3.91Å; R343-L347 HydrophobicContact CG-CG 4.19Å; R343-L347 WeakPolarHBondContact O-CB 3.39Å; R343-L347 VanDerWaalsContact O-CG 3.23Å; R343-L347 WeakPolarHBondContact O-CG 3.18Å; R343-L347 PolarHBondContact O-N 2.93Å; R343-D372 IonicContact CZ-OD2 2.66Å; R343-D372 IonicContact NH2-OD2 2.75Å; R343-D372 PolarHBondContact NH2-OD2 3.35Å
344L85.8Confident80.9Confident29 Ų2951.6 Ų51.615%0.15225%0.254CS..Hα-helixtrans-62.7-38.2-177.3-178.460.7000112K341 C342 K348 A376 M379 V381K341-L344 PolarHBondContact O-N 3.14Å; C342-L344 PolarHBondContact O-N 2.95Å; L344-K348 WeakPolarHBondContact O-CG 3.4Å; L344-K348 PolarHBondContact O-N 3.46Å; L344-K348 VanDerWaalsContact O-N 3.14Å; L344-A376 WeakPolarHBondContact CD1-O 3.13Å; L344-M379 HydrophobicContact CD1-CB 3.81Å; L344-V381 HydrophobicContact CD2-CG2 3.73Å
345D86.2Confident81Confident38 Ų3852.7 Ų52.720%0.20326%0.262CS..Hα-helixtrans-77.7-36.8178.9-60.3-40.8000111.6F308 P314 C342 R343 L347 K348 I349F308-D345 HydrophobicContact CD1-CB 4.23Å; F308-D345 HydrophobicContact CE1-CB 4.26Å; P314-D345 HydrophobicContact CB-CB 4.14Å; P314-D345 HydrophobicContact CG-CB 3.89Å; C342-D345 PolarHBondContact O-N 3.13Å; C342-D345 VanDerWaalsContact O-N 3.12Å; R343-D345 VanDerWaalsContact C-N 3.3Å; R343-D345 PolarHBondContact O-N 2.99Å; D345-L347 VanDerWaalsContact C-N 3.29Å; D345-L347 PolarHBondContact O-N 3.31Å; D345-K348 PolarHBondContact O-N 3.36Å; D345-K348 VanDerWaalsContact O-N 3.17Å; D345-K348 IonicContact OD1-NZ 3.3Å; D345-K348 PolarHBondContact OD1-NZ 3.12Å; D345-I349 WeakPolarHBondContact O-CB 3.37Å; D345-I349 WeakPolarHBondContact O-CD1 3.15Å; D345-I349 WeakPolarHBondContact O-CG1 3.33Å; D345-I349 PolarHBondContact O-N 3.42Å
346I89Confident81.4Confident0 Ų052.8 Ų52.80%026%0.255CS..Hα-helixtrans-59-40.1170-70.5165.4000111.2F304 F308 I326 A329 L330 T333 C342 R343 I349 A350F304-I346 HydrophobicContact CD1-CD1 3.98Å; F304-I346 HydrophobicContact CE1-CD1 4.28Å; F308-I346 HydrophobicContact CE1-CG1 3.92Å; F308-I346 HydrophobicContact CE2-CD1 4.42Å; F308-I346 HydrophobicContact CE2-CG1 4.43Å; F308-I346 HydrophobicContact CZ-CD1 4.17Å; F308-I346 HydrophobicContact CZ-CG1 3.71Å; I326-I346 HydrophobicContact CD1-CG2 3.97Å; A329-I346 HydrophobicContact CB-CD1 4.49Å; A329-I346 HydrophobicContact CB-CG2 4.16Å; L330-I346 HydrophobicContact CD2-CG2 4.02Å; L330-I346 HydrophobicContact CG-CG2 4.24Å; T333-I346 HydrophobicContact CG2-CD1 3.64Å; C342-I346 HydrophobicContact CB-CD1 4.43Å; C342-I346 WeakPolarHBondContact O-CG1 3.49Å; C342-I346 PolarHBondContact O-N 2.9Å; R343-I346 PolarHBondContact O-N 3.33Å; I346-I349 PolarHBondContact O-N 3.41Å; I346-A350 VanDerWaalsContact O-CB 3.31Å; I346-A350 WeakPolarHBondContact O-CB 3.42Å; I346-A350 PolarHBondContact O-N 3.46Å
347L87.4Confident82Confident2 Ų250.5 Ų50.51%0.0124%0.243CC..Hα-helixtrans-65.7-40174.7-69.1170.5000112.3L330 R343 D345 A350 K351 D372 I373 A376 M379L330-L347 HydrophobicContact CD2-CD2 3.74Å; R343-L347 HydrophobicContact CG-CD1 3.91Å; R343-L347 HydrophobicContact CG-CG 4.19Å; R343-L347 WeakPolarHBondContact O-CB 3.39Å; R343-L347 VanDerWaalsContact O-CG 3.23Å; R343-L347 WeakPolarHBondContact O-CG 3.18Å; R343-L347 PolarHBondContact O-N 2.93Å; D345-L347 VanDerWaalsContact C-N 3.29Å; D345-L347 PolarHBondContact O-N 3.31Å; L347-A350 PolarHBondContact O-N 2.86Å; L347-K351 WeakPolarHBondContact O-CB 3.47Å; L347-K351 PolarHBondContact O-N 3.18Å; L347-D372 HydrophobicContact CD1-CB 3.99Å; L347-D372 HydrophobicContact CD2-CB 3.9Å; L347-I373 HydrophobicContact CD2-CB 4.43Å; L347-I373 HydrophobicContact CD2-CG1 3.62Å; L347-A376 HydrophobicContact CB-CB 3.71Å; L347-M379 HydrophobicContact CD1-SD 4.36Å
348K86.5Confident82.8Confident49 Ų4948.6 Ų48.621%0.21324%0.241CC..Hα-helixtrans-65.4-42.1174.6-69.2167.8-162.7152.60112.3L344 D345 K351 R352 A376L344-K348 WeakPolarHBondContact O-CG 3.4Å; L344-K348 PolarHBondContact O-N 3.46Å; L344-K348 VanDerWaalsContact O-N 3.14Å; D345-K348 PolarHBondContact O-N 3.36Å; D345-K348 VanDerWaalsContact O-N 3.17Å; D345-K348 IonicContact OD1-NZ 3.3Å; D345-K348 PolarHBondContact OD1-NZ 3.12Å; K348-K351 PolarHBondContact O-N 2.97Å; K348-R352 PolarHBondContact O-N 2.87Å; K348-R352 VanDerWaalsContact O-N 3.14Å; K348-A376 HydrophobicContact CG-CB 4.07Å
349I87.5Confident83.6Confident0 Ų046.9 Ų46.90%022%0.223CC..Hα-helixtrans-61.3-48.2174.3-67158.4000109.7F308 I317 I321 I326 D345 I346 K351 R352 M353F308-I349 HydrophobicContact CE1-CD1 3.92Å; F308-I349 HydrophobicContact CZ-CD1 4.24Å; I317-I349 HydrophobicContact CG2-CD1 3.65Å; I317-I349 HydrophobicContact CG2-CG1 4.44Å; I321-I349 HydrophobicContact CD1-CG2 3.54Å; I326-I349 HydrophobicContact CD1-CB 4.23Å; I326-I349 HydrophobicContact CD1-CG2 3.8Å; I326-I349 HydrophobicContact CG1-CG2 4.5Å; D345-I349 WeakPolarHBondContact O-CB 3.37Å; D345-I349 WeakPolarHBondContact O-CD1 3.15Å; D345-I349 WeakPolarHBondContact O-CG1 3.33Å; D345-I349 PolarHBondContact O-N 3.42Å; I346-I349 PolarHBondContact O-N 3.41Å; I349-K351 VanDerWaalsContact C-N 3.32Å; I349-K351 PolarHBondContact O-N 2.94Å; I349-R352 WeakPolarHBondContact O-CB 3.48Å; I349-R352 PolarHBondContact O-N 3.26Å; I349-R352 VanDerWaalsContact O-N 3.17Å; I349-M353 HydrophobicContact CG2-SD 4.08Å; I349-M353 WeakPolarHBondContact O-CG 3.47Å; I349-M353 PolarHBondContact O-N 2.97Å
350A88.9Confident84.5Confident0 Ų045.3 Ų45.30%022%0.219CC..Hα-helixtrans-57.8-42.817600000112.3I326 L330 I346 L347 R352 M353 L354 I373I326-A350 HydrophobicContact CD1-CB 4.24Å; I326-A350 HydrophobicContact CG1-CB 3.83Å; L330-A350 HydrophobicContact CD1-CB 3.85Å; L330-A350 HydrophobicContact CD2-CB 4.06Å; L330-A350 HydrophobicContact CG-CB 4.31Å; I346-A350 VanDerWaalsContact O-CB 3.31Å; I346-A350 WeakPolarHBondContact O-CB 3.42Å; I346-A350 PolarHBondContact O-N 3.46Å; L347-A350 PolarHBondContact O-N 2.86Å; A350-R352 VanDerWaalsContact C-N 3.31Å; A350-R352 PolarHBondContact O-N 3.23Å; A350-M353 PolarHBondContact O-N 2.96Å; A350-L354 WeakPolarHBondContact O-CG 3.23Å; A350-L354 PolarHBondContact O-N 2.67Å; A350-L354 VanDerWaalsContact O-N 3.12Å; A350-I373 HydrophobicContact CB-CD1 4.09Å; A350-I373 HydrophobicContact CB-CG1 3.98Å; A350-I373 HydrophobicContact CB-CG2 4.04Å
351K86.4Confident85.2Confident45 Ų4545 Ų4520%0.19622%0.215CC..Hα-helixtrans-58.1-42.5176.8-172.1175.8179.4169.70111.9L347 K348 I349 I373 L374 N377L347-K351 WeakPolarHBondContact O-CB 3.47Å; L347-K351 PolarHBondContact O-N 3.18Å; K348-K351 PolarHBondContact O-N 2.97Å; I349-K351 VanDerWaalsContact C-N 3.32Å; I349-K351 PolarHBondContact O-N 2.94Å; K351-I373 HydrophobicContact CB-CG2 3.97Å; K351-L374 WeakPolarHBondContact CE-O 3.36Å; K351-L374 PolarHBondContact NZ-O 3.24Å; K351-N377 PolarHBondContact NZ-ND2 3Å
352R85Confident85.4Confident141 Ų14138.2 Ų38.253%0.53219%0.186SC..Hα-helixtrans-64.7-36.4172.8-75178.4147.9-165.9-8112.6Y318 K348 I349 A350Y318-R352 HydrophobicContact CD2-CB 3.78Å; Y318-R352 HydrophobicContact CE2-CB 3.73Å; K348-R352 PolarHBondContact O-N 2.87Å; K348-R352 VanDerWaalsContact O-N 3.14Å; I349-R352 WeakPolarHBondContact O-CB 3.48Å; I349-R352 PolarHBondContact O-N 3.26Å; I349-R352 VanDerWaalsContact O-N 3.17Å; A350-R352 VanDerWaalsContact C-N 3.31Å; A350-R352 PolarHBondContact O-N 3.23Å
353M87Confident85.2Confident3 Ų340 Ų402%0.01520%0.195CC..Hα-helixtrans-78.3-11.6-178-67-175.887.700114.8Y318 I321 I326 I349 A350 T355 N356 F357Y318-M353 HydrophobicContact CD2-CG 3.43Å; Y318-M353 VanDerWaalsContact CD2-CG 3.43Å; Y318-M353 HydrophobicContact CD2-SD 4.42Å; Y318-M353 HydrophobicContact CE2-CB 4.2Å; Y318-M353 HydrophobicContact CE2-CG 3.33Å; I321-M353 HydrophobicContact CD1-CE 4.22Å; I321-M353 HydrophobicContact CD1-SD 3.54Å; I321-M353 VanDerWaalsContact CD1-SD 3.54Å; I321-M353 HydrophobicContact CG1-CE 3.91Å; I321-M353 HydrophobicContact CG1-SD 3.87Å; I321-M353 WeakPolarHBondContact O-CE 3.35Å; I326-M353 HydrophobicContact CB-SD 3.68Å; I326-M353 HydrophobicContact CG1-SD 3.92Å; I326-M353 HydrophobicContact CG2-CE 4.08Å; I326-M353 HydrophobicContact CG2-SD 3.59Å; I326-M353 VanDerWaalsContact CG2-SD 3.59Å; I349-M353 HydrophobicContact CG2-SD 4.08Å; I349-M353 WeakPolarHBondContact O-CG 3.47Å; I349-M353 PolarHBondContact O-N 2.97Å; A350-M353 PolarHBondContact O-N 2.96Å; M353-T355 PolarHBondContact O-N 3.43Å; M353-N356 WeakPolarHBondContact O-CB 3.3Å; M353-N356 PolarHBondContact O-N 2.89Å; M353-F357 HydrophobicContact CB-CD2 4.35Å; M353-F357 HydrophobicContact CB-CE2 3.8Å; M353-F357 VanDerWaalsContact O-CD2 3.28Å; M353-F357 WeakPolarHBondContact O-CD2 3.44Å
354L85Confident85.1Confident2 Ų244.1 Ų44.11%0.0121%0.213CC..THydrogen-bonded Turntrans-53.9-26.6-175.2-71.8177.2000114.8A350 N356 F362 M370 I373 L374 V450A350-L354 WeakPolarHBondContact O-CG 3.23Å; A350-L354 PolarHBondContact O-N 2.67Å; A350-L354 VanDerWaalsContact O-N 3.12Å; L354-N356 PolarHBondContact O-N 2.84Å; L354-F362 HydrophobicContact CD2-CE1 3.98Å; L354-F362 HydrophobicContact CD2-CZ 4.17Å; L354-M370 HydrophobicContact CD2-CE 4.04Å; L354-I373 HydrophobicContact CD1-CG2 4.04Å; L354-I373 HydrophobicContact CD2-CG2 4.25Å; L354-I373 HydrophobicContact CG-CG2 4.26Å; L354-L374 HydrophobicContact CD1-CD2 3.52Å; L354-V450 HydrophobicContact CB-CG1 3.82Å; L354-V450 HydrophobicContact CB-CG2 4.45Å; L354-V450 HydrophobicContact CD1-CG1 4.28Å
355T83.6Confident85Confident60 Ų6042.9 Ų42.937%0.36821%0.207SC..THydrogen-bonded Turntrans-58.4-37.4172.649.90000112.4M353 P447 V450 K453M353-T355 PolarHBondContact O-N 3.43Å; T355-P447 HydrophobicContact CG2-CG 4.29Å; T355-V450 HydrophobicContact CG2-CG2 3.89Å; T355-K453 PolarHBondContact O-NZ 3.25Å; T355-K453 VanDerWaalsContact O-NZ 3.15Å
356N84.2Confident84.8Confident89 Ų8943.3 Ų43.348%0.47621%0.213SC..THydrogen-bonded Turntrans-88.8-13-169.1-54.2-8.7000112.6T323 M353 L354T323-N356 HydrophobicContact CG2-CB 4.27Å; M353-N356 WeakPolarHBondContact O-CB 3.3Å; M353-N356 PolarHBondContact O-N 2.89Å; L354-N356 PolarHBondContact O-N 2.84Å
357F84.4Confident84.4Confident1 Ų143.8 Ų43.80%0.00422%0.216CC..  trans-68133.7-178.1-83.7-128.6000111.5T323 I326 I327 M353 D361 F362 L365 K453T323-F357 HydrophobicContact CG2-CD2 3.93Å; T323-F357 HydrophobicContact CG2-CE2 4.29Å; T323-F357 HydrophobicContact CG2-CG 4.49Å; I326-F357 HydrophobicContact CG2-CE2 3.8Å; I326-F357 HydrophobicContact CG2-CZ 3.69Å; I327-F357 HydrophobicContact CD1-CE1 4.06Å; I327-F357 HydrophobicContact CG1-CE1 3.73Å; I327-F357 HydrophobicContact CG1-CZ 4Å; M353-F357 HydrophobicContact CB-CD2 4.35Å; M353-F357 HydrophobicContact CB-CE2 3.8Å; M353-F357 VanDerWaalsContact O-CD2 3.28Å; M353-F357 WeakPolarHBondContact O-CD2 3.44Å; F357-D361 HydrophobicContact CB-CB 4.13Å; F357-D361 HydrophobicContact CD1-CB 3.64Å; F357-D361 HydrophobicContact CE1-CB 4.36Å; F357-D361 HydrophobicContact CG-CB 4.1Å; F357-F362 HydrophobicContact CB-CD2 3.89Å; F357-F362 HydrophobicContact CB-CE2 3.38Å; F357-F362 HydrophobicContact CB-CZ 3.88Å; F357-F362 HydrophobicContact CG-CE2 4.38Å; F357-L365 HydrophobicContact CE1-CD1 3.91Å; F357-K453 PolarHBondContact O-NZ 2.64Å
358S83.4Confident84.1Confident49 Ų4945.3 Ų45.334%0.34323%0.227SC..  trans-78.2164.8168.772.50000111.3Q360 D361 F362S358-Q360 PolarHBondContact O-N 3.28Å; S358-D361 WeakPolarHBondContact CB-OD2 3.32Å; S358-D361 PolarHBondContact N-OD2 3.11Å; S358-D361 WeakPolarHBondContact O-CB 3.38Å; S358-D361 PolarHBondContact O-N 2.95Å; S358-D361 PolarHBondContact OG-N 2.88Å; S358-D361 PolarHBondContact OG-OD2 3.38Å; S358-F362 VanDerWaalsContact O-CD2 3.31Å; S358-F362 WeakPolarHBondContact O-CD2 3.38Å; S358-F362 PolarHBondContact O-N 2.74Å
359E80.7Confident84Confident111 Ų11143.1 Ų43.152%0.51922%0.218SC..Hα-helixtrans-58.1-34175.6-63.7-173161.600111.8D361 F362 D363 K456E359-D361 VanDerWaalsContact C-N 3.32Å; E359-D361 PolarHBondContact O-N 3.29Å; E359-F362 PolarHBondContact O-N 3.02Å; E359-D363 PolarHBondContact O-N 2.85Å; E359-K456 WeakPolarHBondContact OE1-CD 3.48Å; E359-K456 IonicContact OE1-NZ 2.68Å; E359-K456 PolarHBondContact OE1-NZ 3Å
360Q83.4Confident83.9Confident142 Ų14243.1 Ų43.166%0.66422%0.218SC*.Hα-helixtrans-70.4-23.8175.1-62-178.91.200113.6S358 K364S358-Q360 PolarHBondContact O-N 3.28Å; Q360-K364 WeakPolarHBondContact O-CE 3.14Å; Q360-K364 WeakPolarHBondContact O-CG 3.48Å
361D85.3Confident83.5Confident13 Ų1343.6 Ų43.67%0.0722%0.22CC..Hα-helixtrans-78.7-37.4177.8-67.8-41.4000111.5I327 F357 S358 E359 D363 K364I327-D361 HydrophobicContact CD1-CB 3.56Å; I327-D361 WeakPolarHBondContact CD1-OD1 3.43Å; F357-D361 HydrophobicContact CB-CB 4.13Å; F357-D361 HydrophobicContact CD1-CB 3.64Å; F357-D361 HydrophobicContact CE1-CB 4.36Å; F357-D361 HydrophobicContact CG-CB 4.1Å; S358-D361 WeakPolarHBondContact CB-OD2 3.32Å; S358-D361 PolarHBondContact N-OD2 3.11Å; S358-D361 WeakPolarHBondContact O-CB 3.38Å; S358-D361 PolarHBondContact O-N 2.95Å; S358-D361 PolarHBondContact OG-N 2.88Å; S358-D361 PolarHBondContact OG-OD2 3.38Å; E359-D361 VanDerWaalsContact C-N 3.32Å; E359-D361 PolarHBondContact O-N 3.29Å; D361-D363 VanDerWaalsContact C-N 3.31Å; D361-D363 PolarHBondContact O-N 2.9Å; D361-K364 PolarHBondContact O-N 3.21Å; D361-K364 IonicContact OD1-NZ 3.88Å; D361-K364 PolarHBondContact OD1-NZ 3.47Å
362F82.1Confident83.4Confident3 Ų342.9 Ų42.91%0.01322%0.218CC..Hα-helixtrans-59.6-43169.1-77.2-80.3000111.2L354 F357 S358 E359 K364 L365 M370 K453 I454 Y457L354-F362 HydrophobicContact CD2-CE1 3.98Å; L354-F362 HydrophobicContact CD2-CZ 4.17Å; F357-F362 HydrophobicContact CB-CD2 3.89Å; F357-F362 HydrophobicContact CB-CE2 3.38Å; F357-F362 HydrophobicContact CB-CZ 3.88Å; F357-F362 HydrophobicContact CG-CE2 4.38Å; S358-F362 VanDerWaalsContact O-CD2 3.31Å; S358-F362 WeakPolarHBondContact O-CD2 3.38Å; S358-F362 PolarHBondContact O-N 2.74Å; E359-F362 PolarHBondContact O-N 3.02Å; F362-K364 PolarHBondContact O-N 3.29Å; F362-K364 VanDerWaalsContact O-N 3.12Å; F362-L365 PolarHBondContact O-N 3.11Å; F362-M370 HydrophobicContact CD1-CE 3.89Å; F362-M370 HydrophobicContact CD1-SD 3.64Å; F362-M370 HydrophobicContact CE1-CE 3.87Å; F362-M370 HydrophobicContact CE1-SD 3.88Å; F362-K453 HydrophobicContact CD2-CB 4.36Å; F362-K453 HydrophobicContact CE2-CB 3.88Å; F362-K453 HydrophobicContact CE2-CD 3.74Å; F362-K453 HydrophobicContact CE2-CG 4.42Å; F362-K453 HydrophobicContact CZ-CB 4.22Å; F362-K453 HydrophobicContact CZ-CD 4.47Å; F362-I454 HydrophobicContact CE1-CG1 3.94Å; F362-I454 HydrophobicContact CZ-CG1 4.47Å; F362-Y457 HydrophobicContact CB-CD2 3.78Å; F362-Y457 HydrophobicContact CB-CE2 4.45Å; F362-Y457 HydrophobicContact CB-CG 4.22Å; F362-Y457 WeakPolarHBondContact O-CE2 3.5Å
363D81.9Confident83.4Confident43 Ų4336.2 Ų36.223%0.2319%0.193CC..Hα-helixtrans-55-32.2-179.2-76.4-36.5000115E359 D361 L365 K460 K461E359-D363 PolarHBondContact O-N 2.85Å; D361-D363 VanDerWaalsContact C-N 3.31Å; D361-D363 PolarHBondContact O-N 2.9Å; D363-L365 VanDerWaalsContact C-N 3.3Å; D363-K460 VanDerWaalsContact OD1-CD 3.28Å; D363-K460 WeakPolarHBondContact OD1-CD 3.48Å; D363-K460 WeakPolarHBondContact OD1-CE 3.44Å; D363-K460 IonicContact OD1-NZ 2.7Å; D363-K460 PolarHBondContact OD1-NZ 3.16Å; D363-K460 IonicContact OD2-NZ 3.24Å; D363-K460 PolarHBondContact OD2-NZ 2.89Å; D363-K461 PolarHBondContact O-NZ 3.33Å
364K83Confident83.1Confident107 Ų10736.1 Ų36.147%0.46519%0.193SC..THydrogen-bonded Turntrans-72.8-19.7179.6-63.5165.2-166.8162.30113I327 Q360 D361 F362I327-K364 HydrophobicContact CD1-CD 4.21Å; I327-K364 HydrophobicContact CG2-CB 4.09Å; I327-K364 HydrophobicContact CG2-CD 4.05Å; Q360-K364 WeakPolarHBondContact O-CE 3.14Å; Q360-K364 WeakPolarHBondContact O-CG 3.48Å; D361-K364 PolarHBondContact O-N 3.21Å; D361-K364 IonicContact OD1-NZ 3.88Å; D361-K364 PolarHBondContact OD1-NZ 3.47Å; F362-K364 PolarHBondContact O-N 3.29Å; F362-K364 VanDerWaalsContact O-N 3.12Å
365L84.4Confident83Confident3 Ų337.4 Ų37.42%0.01620%0.2CC..SBendtrans-89.1147-178.1-58.9-177.3000111.9I327 L330 F357 F362 D363 V369 M370 I373 Y457I327-L365 HydrophobicContact CG2-CD2 4.39Å; L330-L365 HydrophobicContact CD1-CD2 4.01Å; F357-L365 HydrophobicContact CE1-CD1 3.91Å; F362-L365 PolarHBondContact O-N 3.11Å; D363-L365 VanDerWaalsContact C-N 3.3Å; L365-V369 HydrophobicContact CD2-CG1 4.05Å; L365-M370 HydrophobicContact CD1-CE 3.55Å; L365-I373 HydrophobicContact CD1-CD1 3.89Å; L365-Y457 PolarHBondContact O-OH 3.25Å
366S82.7Confident82.7Confident46 Ų4634.6 Ų34.632%0.32218%0.182SC..  trans-82152.2170.878.50000111.1S368 V369 M370 Y457S366-S368 PolarHBondContact O-N 3.34Å; S366-S368 VanDerWaalsContact O-N 3.16Å; S366-V369 PolarHBondContact O-N 2.91Å; S366-V369 VanDerWaalsContact O-N 3.07Å; S366-V369 WeakPolarHBondContact OG-CG2 3.5Å; S366-V369 PolarHBondContact OG-N 3.41Å; S366-V369 VanDerWaalsContact OG-N 3.14Å; S366-M370 PolarHBondContact O-N 3.1Å; S366-Y457 PolarHBondContact O-OH 2.9Å
367P79.6Confident82.1Confident10 Ų1034 Ų347%0.06518%0.179CC..Hα-helixtrans-62.2-20.5175.3-27.437.5000114.3N371 K461 L467 Q471P367-N371 PolarHBondContact O-N 3Å; P367-N371 PolarHBondContact O-ND2 3.33Å; P367-K461 HydrophobicContact CG-CB 4.28Å; P367-K461 HydrophobicContact CG-CG 4.28Å; P367-L467 HydrophobicContact CB-CD1 3.77Å; P367-L467 HydrophobicContact CG-CD1 4.18Å; P367-Q471 HydrophobicContact CB-CB 4.42Å; P367-Q471 HydrophobicContact CB-CG 4.48Å
368S81.9Confident81.2Confident35 Ų3540 Ų4025%0.24521%0.212CC..Hα-helixtrans-69.8-51.7168.9170.80000110.9K337 S366 M370 N371 D372K337-S368 PolarHBondContact NZ-OG 3.4Å; S366-S368 PolarHBondContact O-N 3.34Å; S366-S368 VanDerWaalsContact O-N 3.16Å; S368-M370 VanDerWaalsContact C-N 3.28Å; S368-M370 PolarHBondContact O-N 2.96Å; S368-N371 PolarHBondContact O-N 3.22Å; S368-N371 VanDerWaalsContact O-N 3.16Å; S368-D372 PolarHBondContact O-N 2.81Å
369V84.3Confident80.2Confident3 Ų341.7 Ų41.72%0.01822%0.215CC..Hα-helixtrans-58.3-42.41771720000111L330 D334 L365 S366 N371 D372 I373L330-V369 HydrophobicContact CB-CG1 4.42Å; L330-V369 HydrophobicContact CD1-CG1 4.5Å; L330-V369 HydrophobicContact CD2-CG1 4.21Å; D334-V369 HydrophobicContact CB-CG2 4.11Å; D334-V369 WeakPolarHBondContact OD1-CG2 3.33Å; D334-V369 WeakPolarHBondContact OD2-CG2 3.4Å; L365-V369 HydrophobicContact CD2-CG1 4.05Å; S366-V369 PolarHBondContact O-N 2.91Å; S366-V369 VanDerWaalsContact O-N 3.07Å; S366-V369 WeakPolarHBondContact OG-CG2 3.5Å; S366-V369 PolarHBondContact OG-N 3.41Å; S366-V369 VanDerWaalsContact OG-N 3.14Å; V369-N371 VanDerWaalsContact C-N 3.34Å; V369-N371 PolarHBondContact O-N 2.98Å; V369-D372 PolarHBondContact O-N 3.48Å; V369-I373 HydrophobicContact CG1-CD1 3.7Å; V369-I373 HydrophobicContact CG1-CG1 4.23Å; V369-I373 VanDerWaalsContact O-CG1 3.24Å; V369-I373 WeakPolarHBondContact O-CG1 3.08Å; V369-I373 PolarHBondContact O-N 3.04Å
370M84.4Confident78.9Confident0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-59.2-44.1177.5-168.799.3-66.300112L354 F362 L365 S366 S368 I373 L374 Y457 L475L354-M370 HydrophobicContact CD2-CE 4.04Å; F362-M370 HydrophobicContact CD1-CE 3.89Å; F362-M370 HydrophobicContact CD1-SD 3.64Å; F362-M370 HydrophobicContact CE1-CE 3.87Å; F362-M370 HydrophobicContact CE1-SD 3.88Å; L365-M370 HydrophobicContact CD1-CE 3.55Å; S366-M370 PolarHBondContact O-N 3.1Å; S368-M370 VanDerWaalsContact C-N 3.28Å; S368-M370 PolarHBondContact O-N 2.96Å; M370-I373 HydrophobicContact CE-CD1 4.16Å; M370-I373 PolarHBondContact O-N 3.2Å; M370-L374 WeakPolarHBondContact O-CG 3.29Å; M370-L374 PolarHBondContact O-N 2.97Å; M370-Y457 HydrophobicContact CB-CE1 4.15Å; M370-Y457 HydrophobicContact CG-CD1 4.44Å; M370-Y457 HydrophobicContact CG-CE1 3.95Å; M370-Y457 HydrophobicContact SD-CD1 3.94Å; M370-Y457 HydrophobicContact SD-CE1 3.78Å; M370-L475 HydrophobicContact CB-CD2 4.35Å; M370-L475 HydrophobicContact CG-CD2 3.83Å
371N81.6Confident77.3Confident9 Ų943.8 Ų43.85%0.04823%0.232CC..Hα-helixtrans-63.8-43.9175.7-87.9-61.6000112.4P367 S368 V369 I373 L374 N375 Q471 Q474 L475P367-N371 PolarHBondContact O-N 3Å; P367-N371 PolarHBondContact O-ND2 3.33Å; S368-N371 PolarHBondContact O-N 3.22Å; S368-N371 VanDerWaalsContact O-N 3.16Å; V369-N371 VanDerWaalsContact C-N 3.34Å; V369-N371 PolarHBondContact O-N 2.98Å; N371-I373 PolarHBondContact O-N 3.3Å; N371-L374 PolarHBondContact O-N 3.26Å; N371-N375 VanDerWaalsContact O-CB 3.3Å; N371-N375 WeakPolarHBondContact O-CB 3.27Å; N371-N375 PolarHBondContact O-N 3.33Å; N371-N375 PolarHBondContact O-ND2 2.86Å; N371-Q471 PolarHBondContact ND2-O 2.89Å; N371-Q474 HydrophobicContact CB-CG 4.36Å; N371-Q474 VanDerWaalsContact OD1-CB 3.28Å; N371-Q474 WeakPolarHBondContact OD1-CB 3.35Å; N371-Q474 WeakPolarHBondContact OD1-CG 3.02Å; N371-L475 WeakPolarHBondContact OD1-CD2 3.25Å; N371-L475 WeakPolarHBondContact OD1-CG 3.42Å; N371-L475 PolarHBondContact OD1-N 3.08Å
372D83.6Confident74.8Confident31 Ų3152 Ų5217%0.16627%0.27CS..Hα-helixtrans-62.3-40.6178.5-66.10.7000111.6R343 L347 S368 V369 N375 A376R343-D372 IonicContact CZ-OD2 2.66Å; R343-D372 IonicContact NH2-OD2 2.75Å; R343-D372 PolarHBondContact NH2-OD2 3.35Å; L347-D372 HydrophobicContact CD1-CB 3.99Å; L347-D372 HydrophobicContact CD2-CB 3.9Å; S368-D372 PolarHBondContact O-N 2.81Å; V369-D372 PolarHBondContact O-N 3.48Å; D372-N375 PolarHBondContact O-N 2.79Å; D372-A376 PolarHBondContact O-N 3.35Å
373I83.9Confident72.3Confident0 Ų061.1 Ų61.10%031%0.31CS..Hα-helixtrans-61.6-47.9177.2-69.7165000110.7L330 L347 A350 K351 L354 L365 V369 M370 N371 N375 A376L330-I373 HydrophobicContact CD1-CD1 3.74Å; L330-I373 HydrophobicContact CD2-CD1 4.06Å; L330-I373 HydrophobicContact CD2-CG1 4.02Å; L347-I373 HydrophobicContact CD2-CB 4.43Å; L347-I373 HydrophobicContact CD2-CG1 3.62Å; A350-I373 HydrophobicContact CB-CD1 4.09Å; A350-I373 HydrophobicContact CB-CG1 3.98Å; A350-I373 HydrophobicContact CB-CG2 4.04Å; K351-I373 HydrophobicContact CB-CG2 3.97Å; L354-I373 HydrophobicContact CD1-CG2 4.04Å; L354-I373 HydrophobicContact CD2-CG2 4.25Å; L354-I373 HydrophobicContact CG-CG2 4.26Å; L365-I373 HydrophobicContact CD1-CD1 3.89Å; V369-I373 HydrophobicContact CG1-CD1 3.7Å; V369-I373 HydrophobicContact CG1-CG1 4.23Å; V369-I373 VanDerWaalsContact O-CG1 3.24Å; V369-I373 WeakPolarHBondContact O-CG1 3.08Å; V369-I373 PolarHBondContact O-N 3.04Å; M370-I373 HydrophobicContact CE-CD1 4.16Å; M370-I373 PolarHBondContact O-N 3.2Å; N371-I373 PolarHBondContact O-N 3.3Å; I373-N375 VanDerWaalsContact C-N 3.34Å; I373-A376 VanDerWaalsContact O-CB 3.24Å; I373-A376 WeakPolarHBondContact O-CB 3.45Å; I373-A376 PolarHBondContact O-N 3.13Å
374L82Confident69.8Low1 Ų166.6 Ų66.61%0.00534%0.338CS..Hα-helixtrans-67-40.2-178.3-61.3174000110.8K351 L354 M370 N371 A376 L446 I454 L475 Q478K351-L374 WeakPolarHBondContact CE-O 3.36Å; K351-L374 PolarHBondContact NZ-O 3.24Å; L354-L374 HydrophobicContact CD1-CD2 3.52Å; M370-L374 WeakPolarHBondContact O-CG 3.29Å; M370-L374 PolarHBondContact O-N 2.97Å; N371-L374 PolarHBondContact O-N 3.26Å; L374-A376 VanDerWaalsContact C-N 3.25Å; L374-A376 PolarHBondContact O-N 3.41Å; L374-L446 HydrophobicContact CD2-CD1 3.88Å; L374-L446 HydrophobicContact CD2-CD2 3.97Å; L374-I454 HydrophobicContact CD1-CD1 4.25Å; L374-I454 HydrophobicContact CD2-CD1 4.06Å; L374-L475 HydrophobicContact CD1-CD2 3.64Å; L374-Q478 HydrophobicContact CB-CB 4.42Å; L374-Q478 PolarHBondContact O-OE1 2.92Å
375N81.5Confident67.3Low30 Ų3067.2 Ų67.216%0.1635%0.353CS..Hα-helixtrans-73.8-6.3178.7-82.2-38.2000114.2N371 D372 I373 N377 N378 M379 Q474 Q478N371-N375 VanDerWaalsContact O-CB 3.3Å; N371-N375 WeakPolarHBondContact O-CB 3.27Å; N371-N375 PolarHBondContact O-N 3.33Å; N371-N375 PolarHBondContact O-ND2 2.86Å; D372-N375 PolarHBondContact O-N 2.79Å; I373-N375 VanDerWaalsContact C-N 3.34Å; N375-N377 PolarHBondContact O-N 3.24Å; N375-N378 PolarHBondContact O-N 3.1Å; N375-M379 HydrophobicContact CB-CG 4.36Å; N375-M379 PolarHBondContact O-N 3.48Å; N375-Q474 PolarHBondContact ND2-NE2 3.06Å; N375-Q474 VanDerWaalsContact ND2-NE2 3.11Å; N375-Q474 PolarHBondContact OD1-NE2 3.48Å; N375-Q474 VanDerWaalsContact OD1-NE2 3.14Å; N375-Q478 VanDerWaalsContact OD1-CD 3.25Å; N375-Q478 PolarHBondContact OD1-NE2 3.45Å; N375-Q478 PolarHBondContact OD1-OE1 3.28Å; N375-Q478 VanDerWaalsContact OD1-OE1 3.12Å
376A77.9Confident64.7Low0 Ų072 Ų720%039%0.387CS..THydrogen-bonded Turntrans-54.3-25-167.600000116.1L344 L347 K348 D372 I373 L374L344-A376 WeakPolarHBondContact CD1-O 3.13Å; L347-A376 HydrophobicContact CB-CB 3.71Å; K348-A376 HydrophobicContact CG-CB 4.07Å; D372-A376 PolarHBondContact O-N 3.35Å; I373-A376 VanDerWaalsContact O-CB 3.24Å; I373-A376 WeakPolarHBondContact O-CB 3.45Å; I373-A376 PolarHBondContact O-N 3.13Å; L374-A376 VanDerWaalsContact C-N 3.25Å; L374-A376 PolarHBondContact O-N 3.41Å
377N71.5Confident62.3Low78 Ų7877 Ų7742%0.41741%0.41SS..THydrogen-bonded Turntrans-80.6-23.7176.6-63.9-5.4000112.9K351 N375 E444K351-N377 PolarHBondContact NZ-ND2 3Å; N375-N377 PolarHBondContact O-N 3.24Å; N377-E444 PolarHBondContact ND2-OE2 2.9Å; N377-E444 VanDerWaalsContact ND2-OE2 3.1Å
378N66.3Low60.1Low127 Ų12784.7 Ų84.768%0.67945%0.445SS*.THydrogen-bonded Turntrans-94.9-16.6-176.6-62.6-15.5000112.4N375 Q380N375-N378 PolarHBondContact O-N 3.1Å; N378-Q380 PolarHBondContact O-N 2.98Å; N378-Q380 VanDerWaalsContact O-N 3.14Å
379M61.3Low57.7Low84 Ų8487 Ų8741%0.41447%0.467SS..  trans-74.1101.5176.9-61.9-173.88800110.2L344 L347 N375L344-M379 HydrophobicContact CD1-CB 3.81Å; L347-M379 HydrophobicContact CD1-SD 4.36Å; N375-M379 HydrophobicContact CB-CG 4.36Å; N375-M379 PolarHBondContact O-N 3.48Å
380Q53.8Low55.4Low181 Ų18193 Ų9385%0.84650%0.497SS*.  trans-79140.8164.7-62.5-170.612.400109.4N378 E382N378-Q380 PolarHBondContact O-N 2.98Å; N378-Q380 VanDerWaalsContact O-N 3.14Å; Q380-E382 PolarHBondContact O-N 3.33Å
381V49.2Very low52.9Low115 Ų115100.2 Ų100.270%0.69754%0.536SS*.  trans-66.8115.1172.3-179.70000107.9L344 K383L344-V381 HydrophobicContact CD2-CG2 3.73Å; V381-K383 PolarHBondContact O-N 3.1Å
382E33.3Very low50.7Low185 Ų185107.3 Ų107.386%0.86457%0.573SS**  trans-59.6103.7169.6-74.9-172154.200109Q380 L384Q380-E382 PolarHBondContact O-N 3.33Å; E382-L384 PolarHBondContact O-N 2.93Å
383K31Very low48.4Very low195 Ų195110.2 Ų110.285%0.84860%0.595SS**  trans-64.2117.7162.2-98.6-178.4173178.60107V381V381-K383 PolarHBondContact O-N 3.1Å
384L28.5Very low46.1Very low159 Ų159121.1 Ų121.183%0.83264%0.636SS**  trans-48.2129.9170.2-129.782.6000109.3E382 S386E382-L384 PolarHBondContact O-N 2.93Å; L384-S386 PolarHBondContact O-N 3.16Å
385P30.6Very low43.9Very low120 Ų120132.1 Ų132.178%0.77968%0.678SS**  trans-60.9114.8172.8-21.232.6000109.2
386S30.6Very low41.6Very low102 Ų102135.5 Ų135.571%0.71370%0.704SS**  trans-74.7141.8161.7190000107.9L384L384-S386 PolarHBondContact O-N 3.16Å
387D30.9Very low39.7Very low153 Ų153141.5 Ų141.582%0.81875%0.746SS**  trans67.969.3165.3-50.5-28.7000118.1
388E34.8Very low38Very low171 Ų171146.5 Ų146.580%0.79976%0.764SS**  trans-97.491.3139.4-77.1-154.3153.100110.6I390E388-I390 VanDerWaalsContact C-N 3.26Å; E388-I390 PolarHBondContact O-N 3.1Å
389A30.2Very low36.5Very low84 Ų84151.4 Ų151.469%0.69477%0.773SS**  trans-70.978.4171.800000111.2N391A389-N391 PolarHBondContact O-N 3.22Å; A389-N391 PolarHBondContact O-ND2 3.27Å
390I37.3Very low35.2Very low127 Ų127157.5 Ų157.565%0.65180%0.797SS**  trans-69.893.5174.1-60.1-178.5000109.7E388 L392E388-I390 VanDerWaalsContact C-N 3.26Å; E388-I390 PolarHBondContact O-N 3.1Å; I390-L392 HydrophobicContact CG2-CD1 4.12Å; I390-L392 HydrophobicContact CG2-CG 4.1Å; I390-L392 PolarHBondContact O-N 3.15Å
391N30.8Very low34.1Very low153 Ų153153.6 Ų153.682%0.81879%0.789SS**  trans-6589.5167.6-81.8-76.2000110.8A389A389-N391 PolarHBondContact O-N 3.22Å; A389-N391 PolarHBondContact O-ND2 3.27Å
392L36.2Very low33.5Very low158 Ų158159.2 Ų159.283%0.82780%0.8SS**  trans-123.6111.8162.9-77.5176.3000111.8I390I390-L392 HydrophobicContact CG2-CD1 4.12Å; I390-L392 HydrophobicContact CG2-CG 4.1Å; I390-L392 PolarHBondContact O-N 3.15Å
393S35.3Very low33.4Very low91 Ų91157.5 Ų157.564%0.63679%0.79SS**  trans-77.3160.4-172.577.30000113.9
394R36Very low33.6Very low229 Ų229157.8 Ų157.886%0.86479%0.794SS**  trans63.7104.8155.6-60.1164.1171.9169.9-2.5115.1
395R34.5Very low33.6Very low233 Ų233156.8 Ų156.888%0.87979%0.785SS**  -168.6123.575.2-97.3174.3166.3167.2-4.9113.3
396S33.2Very low33.9Very low101 Ų101159.2 Ų159.271%0.70679%0.789SS**  trans27.1120.6141.760.40000121.4
397S39.1Very low34.2Very low125 Ų125160.9 Ų160.987%0.87479%0.79SS**  -163.194.3127-850000114.6
398K35.4Very low34.3Very low184 Ų184160.4 Ų160.480%0.878%0.783SS**  trans15.3134.6149-74.2171.8176.3168.50122.1
399R35.1Very low34.4Very low230 Ų230157.7 Ų157.787%0.86877%0.773SS**  trans74138142.2-70.2172.7171.1-179.4-5116.1
400K34.4Very low34.6Very low212 Ų212160.6 Ų160.692%0.92278%0.777SS**  cis-137.3165.823.4-96.4167.8177.7174.70112.1
401S30.6Very low34.4Very low98 Ų98158.8 Ų158.869%0.68578%0.782SS**  trans-117.3150.6-177.857.70000113.7
402Y36.4Very low34.7Very low233 Ų233158.8 Ų158.891%0.91479%0.787SS**  trans-174.3104.6146.7-85.2-68.8000103.8
403K31.3Very low34.4Very low150 Ų150159.7 Ų159.765%0.65279%0.787SS**  69.797.251.1-149.1-174.8-158-88.40113.5E405K403-E405 IonicContact NZ-OE1 2.75Å; K403-E405 PolarHBondContact NZ-OE1 2.93Å; K403-E405 IonicContact NZ-OE2 3.34Å; K403-E405 PolarHBondContact NZ-OE2 2.89Å
404E34.2Very low34.6Very low201 Ų201163.6 Ų163.694%0.93980%0.799SS**  trans-150.6143.3140.4-138.3154.8-14800109.6
405E29.1Very low34.4Very low138 Ų138160.2 Ų160.265%0.64580%0.798SS**  trans-119.1135.6-167.1-68146.9149.300109.8K403K403-E405 IonicContact NZ-OE1 2.75Å; K403-E405 PolarHBondContact NZ-OE1 2.93Å; K403-E405 IonicContact NZ-OE2 3.34Å; K403-E405 PolarHBondContact NZ-OE2 2.89Å
406I36.5Very low34.4Very low170 Ų170152.5 Ų152.587%0.87279%0.79SS**  trans-134.8125153-59.2-175.1000110.3
407L35.9Very low34.4Very low137 Ų137154 Ų15472%0.71780%0.801SS**  trans-28166.7162.7-79.479000118.5
408E33.8Very low33.9Very low144 Ų144158.6 Ų158.667%0.67380%0.799SS**  cis174.8171.9-21.9-155.9176.6-135.300107.5
409N37Very low33.8Very low113 Ų113159.9 Ų159.960%0.60481%0.805SS**  trans87.8122.8150-64.2-38.8000123.5
410N35Very low33.6Very low145 Ų145157.2 Ų157.278%0.77580%0.802SS**  trans77.3106.6147.1-51.5-19.8000117.9
411A32.4Very low33.8Very low90 Ų90153 Ų15374%0.74480%0.799SS**  cis81.511234.300000116.1
412T37.6Very low33.6Very low153 Ų153153.9 Ų153.994%0.93981%0.806SS**  trans-164.3122.2146.4180000110.7
413E29.9Very low33.7Very low176 Ų176151 Ų15182%0.82280%0.804SS**  trans-94.4150.7171.1-58.5174.2122.400110.9
414I38.3Very low33.8Very low173 Ų173152.5 Ų152.589%0.88781%0.811SS**  trans-137.2121.3155.2-62.5-174.3000110.1
415L31.7Very low33.5Very low159 Ų159151.4 Ų151.483%0.83281%0.806SS**  trans-75.7154.7174.1-104.478.8000112.7
416G34.7Very low33.7Very low70 Ų70149.6 Ų149.672%0.72281%0.814SS**  trans-149.821.7-169.700000120.9
417S34.9Very low33.4Very low134 Ų134149.1 Ų149.194%0.93781%0.813SS**  trans68.1142.3160.5-61.20000121.5
418R27.2Very low33.4Very low221 Ų221150.7 Ų150.783%0.83482%0.821SS**  trans-117.6141-172.1177.4-168.1-163.51746109.6
419K34.7Very low33.3Very low211 Ų211152.4 Ų152.492%0.91783%0.829SS**  trans-151.2129.6159.7-107178-174.4179.40112.3
420Q30.8Very low32.9Very low173 Ų173154.6 Ų154.681%0.80884%0.84SS**  trans-106.9148.5166.8-68.5170.9-60.100108.7
421S36.9Very low32.8Very low124 Ų124153.5 Ų153.587%0.86784%0.839SS**  trans-158.1126.5156.354.80000110.9
422S27.5Very low32.6Very low117 Ų117154.3 Ų154.382%0.81884%0.839SS**  trans-99.9139.1178.745.10000111.7
423I37.7Very low32.3Very low173 Ų173156.5 Ų156.589%0.88784%0.839SS**  trans-138.3153.3160.6-63.8-172000108.6
424K33.9Very low32.1Very low180 Ų180156.5 Ų156.578%0.78384%0.836SS**  trans-95.5155.2-159.1-60173.9173.3-1770115.4
425E27.4Very low31.8Very low179 Ų179157.5 Ų157.584%0.83684%0.836SS**  trans19.5122.6136.8-58164.6146.100119.9
426A34.8Very low31.6Very low100 Ų100157.1 Ų157.183%0.82683%0.831SS**  trans-154.7133.7138.600000109.7
427N29.4Very low31.2Very low159 Ų159161.7 Ų161.785%0.8584%0.838SS**  trans-76.9137.2-180-62.7-27.8000111.6
428I36.5Very low30.9Very low171 Ų171160 Ų16088%0.87782%0.822SS**  trans-136.3123.7149.8-62.4-176000106.6
429E31.8Very low30.9Very low179 Ų179157.2 Ų157.284%0.83682%0.824SS**  trans-81.8163.6174.9-70.1176.7131.900111.6
430D28.7Very low30.6Very low159 Ų159154.2 Ų154.285%0.8581%0.813SS**  trans100151.5146.7-134.1-8.1000119.8
431V33.2Very low30.5Very low122 Ų122152.2 Ų152.274%0.73981%0.813SS**  trans7480.8179.7-159.70000116.9
432S27.4Very low30.4Very low107 Ų107155.1 Ų155.175%0.74881%0.81SS**  trans-15.3128.3144.956.50000118.7
433E31.8Very low31.2Very low199 Ų199153.9 Ų153.993%0.9380%0.802SS**  trans-149.8147138.4-124.2169-15100110.9
434K25.7Very low32Very low177 Ų177152.6 Ų152.677%0.7779%0.792SS**  trans-91.3136.1-168.5-62.8176.7177.9-176.60111.6
435H30.8Very low33.3Very low193 Ų193149.8 Ų149.889%0.89478%0.784SS**  trans-135.1104.1152.1-94.8-70.7000110.5
436E29Very low35.3Very low152 Ų152142.6 Ų142.671%0.7175%0.751SS**  trans-76.6131.6170.3-68.6167.3142.700109.5
437N26Very low37.1Very low166 Ų166140.9 Ų140.989%0.88873%0.732SS**  trans-96.781.8166.6-84.4-25.7000109.2
438T28.5Very low39.1Very low97 Ų97137.7 Ų137.760%0.59571%0.712SS**  trans-89.997.2174.327.20000111.3E440T438-E440 VanDerWaalsContact C-N 3.29Å; T438-E440 PolarHBondContact O-N 2.83Å; T438-E440 VanDerWaalsContact O-N 3.1Å
439N26.3Very low41Very low163 Ų163133 Ų13387%0.87269%0.694SS**  trans-80.378.2164-81.8-19.8000109.7T441N439-T441 PolarHBondContact O-N 2.87Å
440E28.7Very low43.2Very low149 Ų149124.5 Ų124.570%0.69665%0.654SS**  trans-72.6106.2174.4-70.6-175.716400111.6T438 K442T438-E440 VanDerWaalsContact C-N 3.29Å; T438-E440 PolarHBondContact O-N 2.83Å; T438-E440 VanDerWaalsContact O-N 3.1Å; E440-K442 PolarHBondContact O-N 3.03Å
441T29.7Very low45.6Very low131 Ų131117 Ų11780%0.80462%0.615SS**  trans-68.698165.3440000110.3N439 S443N439-T441 PolarHBondContact O-N 2.87Å; T441-S443 PolarHBondContact O-N 2.61Å; T441-S443 VanDerWaalsContact O-N 3.13Å
442K32.8Very low47.7Very low184 Ų184113.1 Ų113.180%0.859%0.59SS**  trans-68.4104.6173.4-75.4-179.1176.1175.40111.2E440 E444E440-K442 PolarHBondContact O-N 3.03Å; K442-E444 PolarHBondContact O-N 3.05Å
443S44.5Very low50.3Low92 Ų92110.7 Ų110.764%0.64357%0.566SS**PPolyproline II helixtrans-66.1116.4170-55.80000110.8T441 I445T441-S443 PolarHBondContact O-N 2.61Å; T441-S443 VanDerWaalsContact O-N 3.13Å; S443-I445 PolarHBondContact O-N 3.13Å
444E55.8Low52.6Low145 Ų145101.2 Ų101.268%0.67852%0.522SS*.PPolyproline II helixtrans-65.4120.1173.1-67.817913800110.6N377 K442N377-E444 PolarHBondContact ND2-OE2 2.9Å; N377-E444 VanDerWaalsContact ND2-OE2 3.1Å; K442-E444 PolarHBondContact O-N 3.05Å
445I61.3Low55.2Low121 Ų12192.9 Ų92.962%0.62149%0.485SS*.PPolyproline II helixtrans-74128.1-179.1-56.4175.5000109.5S443S443-I445 PolarHBondContact O-N 3.13Å
446L68.8Low57.7Low29 Ų2989.2 Ų89.215%0.15247%0.467CS..PPolyproline II helixtrans-65141.8175.1-74160.5000111.2L374 E448 V450 Q478L374-L446 HydrophobicContact CD2-CD1 3.88Å; L374-L446 HydrophobicContact CD2-CD2 3.97Å; L446-E448 PolarHBondContact O-N 2.96Å; L446-V450 HydrophobicContact CD2-CG1 4.48Å; L446-Q478 WeakPolarHBondContact CD1-O 3.43Å
447P72.3Confident60.2Low64 Ų6482.3 Ų82.342%0.41643%0.434SS..PPolyproline II helixtrans-57.5137.7173-2433.8000112T355 S449 V450 A451T355-P447 HydrophobicContact CG2-CG 4.29Å; P447-S449 PolarHBondContact O-N 3.49Å; P447-S449 VanDerWaalsContact O-N 3.17Å; P447-V450 HydrophobicContact CB-CG2 4.22Å; P447-V450 HydrophobicContact CG-CG2 4.39Å; P447-V450 WeakPolarHBondContact O-CA 3.43Å; P447-V450 WeakPolarHBondContact O-CB 3.22Å; P447-V450 PolarHBondContact O-N 2.55Å; P447-A451 PolarHBondContact O-N 3.16Å
448E72Confident62.8Low91 Ų9174.4 Ų74.443%0.42539%0.392SS..Hα-helixtrans-53.5-38.7-179.1179.4178.4174.100112.9L446 V450 A451 N452 P482 Q485L446-E448 PolarHBondContact O-N 2.96Å; E448-V450 VanDerWaalsContact C-N 3.26Å; E448-V450 PolarHBondContact O-N 2.87Å; E448-A451 PolarHBondContact O-N 3.46Å; E448-N452 WeakPolarHBondContact O-CB 3.44Å; E448-N452 PolarHBondContact O-N 2.75Å; E448-N452 PolarHBondContact O-OD1 2.7Å; E448-P482 HydrophobicContact CB-CG 4.44Å; E448-P482 HydrophobicContact CG-CG 3.88Å; E448-Q485 PolarHBondContact OE1-NE2 3.07Å
449S75.5Confident65.4Low72 Ų7271 Ų7150%0.50337%0.37SS..Hα-helixtrans-63-30175.959.70000113.6P447 K453P447-S449 PolarHBondContact O-N 3.49Å; P447-S449 VanDerWaalsContact O-N 3.17Å; S449-K453 WeakPolarHBondContact O-CG 3.28Å; S449-K453 PolarHBondContact O-N 3.17Å
450V79.4Confident68.2Low1 Ų167.5 Ų67.51%0.00635%0.347CS..Hα-helixtrans-80.5-44.31761760000110.1L354 T355 L446 P447 E448 N452 K453 I454L354-V450 HydrophobicContact CB-CG1 3.82Å; L354-V450 HydrophobicContact CB-CG2 4.45Å; L354-V450 HydrophobicContact CD1-CG1 4.28Å; T355-V450 HydrophobicContact CG2-CG2 3.89Å; L446-V450 HydrophobicContact CD2-CG1 4.48Å; P447-V450 HydrophobicContact CB-CG2 4.22Å; P447-V450 HydrophobicContact CG-CG2 4.39Å; P447-V450 WeakPolarHBondContact O-CA 3.43Å; P447-V450 WeakPolarHBondContact O-CB 3.22Å; P447-V450 PolarHBondContact O-N 2.55Å; E448-V450 VanDerWaalsContact C-N 3.26Å; E448-V450 PolarHBondContact O-N 2.87Å; V450-N452 VanDerWaalsContact C-N 3.28Å; V450-N452 PolarHBondContact O-N 3.33Å; V450-K453 PolarHBondContact O-N 3.26Å; V450-K453 VanDerWaalsContact O-N 3.14Å; V450-I454 HydrophobicContact CG1-CD1 3.72Å; V450-I454 HydrophobicContact CG1-CG1 4.32Å; V450-I454 WeakPolarHBondContact O-CG1 3.35Å; V450-I454 PolarHBondContact O-N 2.74Å
451A78.6Confident70.7Confident3 Ų361 Ų613%0.02532%0.317CS..Hα-helixtrans-53.4-46.4173.900000111.6P447 E448 K453 I454 I455 I479P447-A451 PolarHBondContact O-N 3.16Å; E448-A451 PolarHBondContact O-N 3.46Å; A451-K453 PolarHBondContact O-N 2.81Å; A451-I454 PolarHBondContact O-N 3.31Å; A451-I454 VanDerWaalsContact O-N 3.16Å; A451-I455 WeakPolarHBondContact O-CG1 3.46Å; A451-I455 PolarHBondContact O-N 2.99Å; A451-I479 HydrophobicContact CB-CG2 3.95Å
452N77.3Confident73.1Confident40 Ų4055.2 Ų55.221%0.21428%0.282CS..Hα-helixtrans-64.4-36.9179.5-67.30.9000112.7E448 V450 K456 Q485 L488E448-N452 WeakPolarHBondContact O-CB 3.44Å; E448-N452 PolarHBondContact O-N 2.75Å; E448-N452 PolarHBondContact O-OD1 2.7Å; V450-N452 VanDerWaalsContact C-N 3.28Å; V450-N452 PolarHBondContact O-N 3.33Å; N452-K456 WeakPolarHBondContact O-CG 3.49Å; N452-K456 PolarHBondContact O-N 3.12Å; N452-Q485 PolarHBondContact ND2-OE1 3.19Å; N452-L488 HydrophobicContact CB-CD2 4.39Å; N452-L488 WeakPolarHBondContact OD1-CD1 3.46Å; N452-L488 WeakPolarHBondContact OD1-CD2 3.34Å
453K80.6Confident75.5Confident56 Ų5651.1 Ų51.124%0.24327%0.269CS..Hα-helixtrans-67-41.5172.6-71.6177.9-172178.60111.7T355 F357 F362 S449 V450 A451 K456 Y457T355-K453 PolarHBondContact O-NZ 3.25Å; T355-K453 VanDerWaalsContact O-NZ 3.15Å; F357-K453 PolarHBondContact O-NZ 2.64Å; F362-K453 HydrophobicContact CD2-CB 4.36Å; F362-K453 HydrophobicContact CE2-CB 3.88Å; F362-K453 HydrophobicContact CE2-CD 3.74Å; F362-K453 HydrophobicContact CE2-CG 4.42Å; F362-K453 HydrophobicContact CZ-CB 4.22Å; F362-K453 HydrophobicContact CZ-CD 4.47Å; S449-K453 WeakPolarHBondContact O-CG 3.28Å; S449-K453 PolarHBondContact O-N 3.17Å; V450-K453 PolarHBondContact O-N 3.26Å; V450-K453 VanDerWaalsContact O-N 3.14Å; A451-K453 PolarHBondContact O-N 2.81Å; K453-K456 PolarHBondContact O-N 2.92Å; K453-Y457 WeakPolarHBondContact O-CB 3.4Å; K453-Y457 PolarHBondContact O-N 3.4Å
454I81.6Confident77.2Confident0 Ų049.8 Ų49.80%025%0.253CS..Hα-helixtrans-66.2-40.9178.9-63.6165.6000110.9F362 L374 V450 A451 K456 Y457 M458 I479F362-I454 HydrophobicContact CE1-CG1 3.94Å; F362-I454 HydrophobicContact CZ-CG1 4.47Å; L374-I454 HydrophobicContact CD1-CD1 4.25Å; L374-I454 HydrophobicContact CD2-CD1 4.06Å; V450-I454 HydrophobicContact CG1-CD1 3.72Å; V450-I454 HydrophobicContact CG1-CG1 4.32Å; V450-I454 WeakPolarHBondContact O-CG1 3.35Å; V450-I454 PolarHBondContact O-N 2.74Å; A451-I454 PolarHBondContact O-N 3.31Å; A451-I454 VanDerWaalsContact O-N 3.16Å; I454-K456 PolarHBondContact O-N 3.5Å; I454-Y457 CarbonylContact O-C 3.6Å; I454-Y457 WeakPolarHBondContact O-CB 3.21Å; I454-Y457 PolarHBondContact O-N 2.99Å; I454-Y457 VanDerWaalsContact O-N 3.16Å; I454-M458 HydrophobicContact CG2-CG 4.27Å; I454-M458 HydrophobicContact CG2-SD 3.92Å; I454-M458 VanDerWaalsContact O-CG 3.3Å; I454-M458 WeakPolarHBondContact O-CG 3.37Å; I454-M458 PolarHBondContact O-N 2.83Å; I454-I479 HydrophobicContact CB-CD1 4.27Å; I454-I479 HydrophobicContact CG2-CD1 3.67Å
455I80.2Confident78.3Confident2 Ų250.7 Ų50.71%0.0126%0.257CS..Hα-helixtrans-61.9-43.7176.6-67.3167.6000111.2A451 Y457 M458 L459 I479 L488 D491 L492A451-I455 WeakPolarHBondContact O-CG1 3.46Å; A451-I455 PolarHBondContact O-N 2.99Å; I455-Y457 PolarHBondContact O-N 3.02Å; I455-M458 PolarHBondContact O-N 3.23Å; I455-L459 PolarHBondContact O-N 3.38Å; I455-I479 HydrophobicContact CD1-CG2 4.39Å; I455-I479 HydrophobicContact CG1-CD1 4.45Å; I455-L488 HydrophobicContact CD1-CB 4.21Å; I455-L488 HydrophobicContact CD1-CD2 4.14Å; I455-D491 HydrophobicContact CG2-CB 3.96Å; I455-L492 HydrophobicContact CD1-CD2 4.38Å; I455-L492 HydrophobicContact CD1-CG 4.48Å; I455-L492 HydrophobicContact CG1-CD2 4.02Å; I455-L492 HydrophobicContact CG2-CD2 4.2Å; I455-L492 HydrophobicContact CG2-CG 4.49Å
456K82.2Confident79.2Confident116 Ų11650.9 Ų50.950%0.50425%0.253SS..Hα-helixtrans-59.4-43.4171.8-75.8177.1167-174.30112.6E359 N452 K453 I454 L459 K460E359-K456 WeakPolarHBondContact OE1-CD 3.48Å; E359-K456 IonicContact OE1-NZ 2.68Å; E359-K456 PolarHBondContact OE1-NZ 3Å; N452-K456 WeakPolarHBondContact O-CG 3.49Å; N452-K456 PolarHBondContact O-N 3.12Å; K453-K456 PolarHBondContact O-N 2.92Å; I454-K456 PolarHBondContact O-N 3.5Å; K456-L459 WeakPolarHBondContact O-CB 3.32Å; K456-L459 PolarHBondContact O-N 3.44Å; K456-K460 PolarHBondContact O-N 3.02Å
457Y82.7Confident79.7Confident6 Ų649.9 Ų49.92%0.02425%0.248CC..Hα-helixtrans-62.4-42.7176.1164.7-96.2000111.8F362 L365 S366 M370 K453 I454 I455 K460 K461F362-Y457 HydrophobicContact CB-CD2 3.78Å; F362-Y457 HydrophobicContact CB-CE2 4.45Å; F362-Y457 HydrophobicContact CB-CG 4.22Å; F362-Y457 WeakPolarHBondContact O-CE2 3.5Å; L365-Y457 PolarHBondContact O-OH 3.25Å; S366-Y457 PolarHBondContact O-OH 2.9Å; M370-Y457 HydrophobicContact CB-CE1 4.15Å; M370-Y457 HydrophobicContact CG-CD1 4.44Å; M370-Y457 HydrophobicContact CG-CE1 3.95Å; M370-Y457 HydrophobicContact SD-CD1 3.94Å; M370-Y457 HydrophobicContact SD-CE1 3.78Å; K453-Y457 WeakPolarHBondContact O-CB 3.4Å; K453-Y457 PolarHBondContact O-N 3.4Å; I454-Y457 CarbonylContact O-C 3.6Å; I454-Y457 WeakPolarHBondContact O-CB 3.21Å; I454-Y457 PolarHBondContact O-N 2.99Å; I454-Y457 VanDerWaalsContact O-N 3.16Å; I455-Y457 PolarHBondContact O-N 3.02Å; Y457-K460 PolarHBondContact O-N 3.09Å; Y457-K461 HydrophobicContact CD2-CG 3.98Å; Y457-K461 HydrophobicContact CE1-CG 4.11Å; Y457-K461 HydrophobicContact CE2-CD 4.09Å; Y457-K461 HydrophobicContact CE2-CG 3.55Å; Y457-K461 HydrophobicContact CG-CG 4.46Å; Y457-K461 WeakPolarHBondContact O-CG 3.37Å; Y457-K461 PolarHBondContact O-N 3.17Å
458M80.7Confident80Confident0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-63.3-42.5176.1-70.3168.768.600111.9I454 I455 K460 K461 A462 L467 Y472 L475 I479 I495I454-M458 HydrophobicContact CG2-CG 4.27Å; I454-M458 HydrophobicContact CG2-SD 3.92Å; I454-M458 VanDerWaalsContact O-CG 3.3Å; I454-M458 WeakPolarHBondContact O-CG 3.37Å; I454-M458 PolarHBondContact O-N 2.83Å; I455-M458 PolarHBondContact O-N 3.23Å; M458-K460 VanDerWaalsContact C-N 3.35Å; M458-K460 PolarHBondContact O-N 3.38Å; M458-K461 PolarHBondContact O-N 2.99Å; M458-A462 VanDerWaalsContact O-CB 3.29Å; M458-A462 WeakPolarHBondContact O-CB 3.34Å; M458-A462 PolarHBondContact O-N 3.45Å; M458-L467 HydrophobicContact CB-CD2 4.26Å; M458-Y472 HydrophobicContact CE-CD2 3.32Å; M458-Y472 HydrophobicContact CE-CE2 3.69Å; M458-Y472 HydrophobicContact CE-CG 4.28Å; M458-L475 HydrophobicContact CE-CB 3.69Å; M458-L475 HydrophobicContact CE-CD1 4.04Å; M458-L475 HydrophobicContact CG-CD1 3.61Å; M458-L475 HydrophobicContact SD-CB 3.72Å; M458-L475 HydrophobicContact SD-CD1 3.76Å; M458-L475 HydrophobicContact SD-CG 4.33Å; M458-I479 HydrophobicContact SD-CD1 3.89Å; M458-I495 HydrophobicContact CB-CD1 3.59Å
459L82.5Confident80.2Confident27 Ų2745.3 Ų45.314%0.14122%0.224CC..Hα-helixtrans-53.5-51.7170.7-92.3173.5000111.4I455 K456 A462 D463 D491 K494 I495I455-L459 PolarHBondContact O-N 3.38Å; K456-L459 WeakPolarHBondContact O-CB 3.32Å; K456-L459 PolarHBondContact O-N 3.44Å; L459-A462 PolarHBondContact O-N 2.84Å; L459-D463 PolarHBondContact O-N 3.38Å; L459-D491 HydrophobicContact CD1-CB 3.63Å; L459-D491 HydrophobicContact CG-CB 4.3Å; L459-K494 HydrophobicContact CD2-CB 4.08Å; L459-I495 HydrophobicContact CB-CG1 4.28Å; L459-I495 HydrophobicContact CD2-CD1 4.46Å; L459-I495 HydrophobicContact CD2-CG1 3.67Å; L459-I495 HydrophobicContact CG-CD1 4.01Å; L459-I495 HydrophobicContact CG-CG1 3.74Å
460K84.2Confident80.3Confident89 Ų8949.5 Ų49.539%0.38724%0.236SC..Hα-helixtrans-67.1-41.1-177.6-175.8172.2172-176.50113D363 K456 Y457 M458 A462 D463 E464D363-K460 VanDerWaalsContact OD1-CD 3.28Å; D363-K460 WeakPolarHBondContact OD1-CD 3.48Å; D363-K460 WeakPolarHBondContact OD1-CE 3.44Å; D363-K460 IonicContact OD1-NZ 2.7Å; D363-K460 PolarHBondContact OD1-NZ 3.16Å; D363-K460 IonicContact OD2-NZ 3.24Å; D363-K460 PolarHBondContact OD2-NZ 2.89Å; K456-K460 PolarHBondContact O-N 3.02Å; Y457-K460 PolarHBondContact O-N 3.09Å; M458-K460 VanDerWaalsContact C-N 3.35Å; M458-K460 PolarHBondContact O-N 3.38Å; K460-A462 VanDerWaalsContact C-N 3.32Å; K460-A462 PolarHBondContact O-N 3.36Å; K460-D463 PolarHBondContact O-N 3.4Å; K460-E464 WeakPolarHBondContact O-CG 3.46Å; K460-E464 PolarHBondContact O-N 3.06Å
461K82.6Confident80.3Confident12 Ų1251.6 Ų51.65%0.05225%0.246CC..Hα-helixtrans-71.2-25.3175.7-65.8-52.3-177-1620113.2D363 P367 Y457 M458 E464 Q465 K466 L467D363-K461 PolarHBondContact O-NZ 3.33Å; P367-K461 HydrophobicContact CG-CB 4.28Å; P367-K461 HydrophobicContact CG-CG 4.28Å; Y457-K461 HydrophobicContact CD2-CG 3.98Å; Y457-K461 HydrophobicContact CE1-CG 4.11Å; Y457-K461 HydrophobicContact CE2-CD 4.09Å; Y457-K461 HydrophobicContact CE2-CG 3.55Å; Y457-K461 HydrophobicContact CG-CG 4.46Å; Y457-K461 WeakPolarHBondContact O-CG 3.37Å; Y457-K461 PolarHBondContact O-N 3.17Å; M458-K461 PolarHBondContact O-N 2.99Å; K461-E464 IonicContact NZ-OE1 3.75Å; K461-E464 PolarHBondContact NZ-OE1 2.74Å; K461-E464 IonicContact NZ-OE2 2.67Å; K461-E464 PolarHBondContact NZ-OE2 3.49Å; K461-E464 VanDerWaalsContact NZ-OE2 3.09Å; K461-Q465 PolarHBondContact O-N 3.45Å; K461-K466 PolarHBondContact O-N 3.15Å; K461-L467 HydrophobicContact CB-CB 4.29Å; K461-L467 PolarHBondContact O-N 3.31Å
462A80.5Confident80.4Confident9 Ų951.5 Ų51.57%0.07425%0.245CC..Hα-helixtrans-70.8-40.8167.700000111.9M458 L459 K460 E464 Q465 L467 I495 K498 L499M458-A462 VanDerWaalsContact O-CB 3.29Å; M458-A462 WeakPolarHBondContact O-CB 3.34Å; M458-A462 PolarHBondContact O-N 3.45Å; L459-A462 PolarHBondContact O-N 2.84Å; K460-A462 VanDerWaalsContact C-N 3.32Å; K460-A462 PolarHBondContact O-N 3.36Å; A462-E464 VanDerWaalsContact C-N 3.34Å; A462-Q465 PolarHBondContact O-N 2.94Å; A462-L467 HydrophobicContact CB-CD2 4.33Å; A462-I495 HydrophobicContact CB-CG2 4Å; A462-K498 HydrophobicContact CB-CB 4.48Å; A462-L499 HydrophobicContact CB-CD2 4.41Å
463D81.3Confident80.3Confident99 Ų9950.1 Ų50.153%0.52924%0.237SC..Hα-helixtrans-63.5-37.1172.3-75.8-43.1000112.7L459 K460 Q465 K498L459-D463 PolarHBondContact O-N 3.38Å; K460-D463 PolarHBondContact O-N 3.4Å; D463-Q465 PolarHBondContact O-N 3.39Å; D463-K498 WeakPolarHBondContact OD1-CD 3.38Å; D463-K498 WeakPolarHBondContact OD1-CE 3.34Å; D463-K498 IonicContact OD1-NZ 2.7Å; D463-K498 PolarHBondContact OD1-NZ 3.39Å; D463-K498 IonicContact OD2-NZ 2.74Å; D463-K498 PolarHBondContact OD2-NZ 3.01Å
464E81.9Confident80.1Confident64 Ų6450.3 Ų50.330%0.29924%0.239SC..THydrogen-bonded Turntrans-72.5-2171.8-69.8177-144.100113.8K460 K461 A462 K466K460-E464 WeakPolarHBondContact O-CG 3.46Å; K460-E464 PolarHBondContact O-N 3.06Å; K461-E464 IonicContact NZ-OE1 3.75Å; K461-E464 PolarHBondContact NZ-OE1 2.74Å; K461-E464 IonicContact NZ-OE2 2.67Å; K461-E464 PolarHBondContact NZ-OE2 3.49Å; K461-E464 VanDerWaalsContact NZ-OE2 3.09Å; A462-E464 VanDerWaalsContact C-N 3.34Å; E464-K466 HydrophobicContact CB-CB 4.48Å; E464-K466 HydrophobicContact CB-CD 4.06Å; E464-K466 HydrophobicContact CB-CG 4.14Å; E464-K466 PolarHBondContact O-N 3.02Å; E464-K466 WeakPolarHBondContact OE2-CD 3.42Å; E464-K466 WeakPolarHBondContact OE2-CE 2.92Å; E464-K466 IonicContact OE2-NZ 2.82Å; E464-K466 PolarHBondContact OE2-NZ 3.45Å
465Q79.2Confident79.8Confident163 Ų16350.3 Ų50.376%0.76224%0.239SC*.THydrogen-bonded Turntrans55.526.9-172.3-59.1-174-16.300114.9K461 A462 D463K461-Q465 PolarHBondContact O-N 3.45Å; A462-Q465 PolarHBondContact O-N 2.94Å; D463-Q465 PolarHBondContact O-N 3.39Å
466K79Confident79.6Confident125 Ų12550.3 Ų50.354%0.54324%0.239SC..  trans-100.7-3.8-177.7-69.6176.3-165.4162.50114.5K461 E464K461-K466 PolarHBondContact O-N 3.15Å; E464-K466 HydrophobicContact CB-CB 4.48Å; E464-K466 HydrophobicContact CB-CD 4.06Å; E464-K466 HydrophobicContact CB-CG 4.14Å; E464-K466 PolarHBondContact O-N 3.02Å; E464-K466 WeakPolarHBondContact OE2-CD 3.42Å; E464-K466 WeakPolarHBondContact OE2-CE 2.92Å; E464-K466 IonicContact OE2-NZ 2.82Å; E464-K466 PolarHBondContact OE2-NZ 3.45Å
467L79.4Confident79.2Confident9 Ų948.5 Ų48.55%0.04723%0.231CC..  trans-101.2129.3179.2-175.466.3000110.2P367 M458 K461 A462 Q471 Y472 L475 I495 L499P367-L467 HydrophobicContact CB-CD1 3.77Å; P367-L467 HydrophobicContact CG-CD1 4.18Å; M458-L467 HydrophobicContact CB-CD2 4.26Å; K461-L467 HydrophobicContact CB-CB 4.29Å; K461-L467 PolarHBondContact O-N 3.31Å; A462-L467 HydrophobicContact CB-CD2 4.33Å; L467-Q471 HydrophobicContact CD1-CB 3.75Å; L467-Y472 HydrophobicContact CD2-CD2 4.19Å; L467-L475 HydrophobicContact CD1-CD1 4.2Å; L467-I495 HydrophobicContact CD2-CG2 4.02Å; L467-L499 HydrophobicContact CB-CD2 4.29Å; L467-L499 HydrophobicContact CD2-CD1 4.28Å; L467-L499 HydrophobicContact CG-CD2 4.42Å; L467-L499 WeakPolarHBondContact O-CD2 3.47Å
468T79.2Confident78.5Confident48 Ų4849.9 Ų49.929%0.29424%0.238SC..  trans-94.1159.6172.769.10000112Q470 Q471 Y472T468-Q470 VanDerWaalsContact C-N 3.32Å; T468-Q470 PolarHBondContact O-N 3.04Å; T468-Q471 PolarHBondContact O-N 2.72Å; T468-Q471 WeakPolarHBondContact OG1-CB 3.42Å; T468-Q471 VanDerWaalsContact OG1-CD 3.28Å; T468-Q471 VanDerWaalsContact OG1-CG 3.25Å; T468-Q471 WeakPolarHBondContact OG1-CG 3.47Å; T468-Q471 PolarHBondContact OG1-N 2.92Å; T468-Q471 PolarHBondContact OG1-OE1 2.95Å; T468-Y472 PolarHBondContact O-N 3.16Å
469M76.3Confident78Confident11 Ų1150 Ų505%0.05424%0.238CC..Hα-helixtrans-56.4-43.6176-77.7-63.8-6400112.5Q471 Y472 I473 L496 L499 Q504 I514M469-Q471 PolarHBondContact O-N 3.5Å; M469-Y472 WeakPolarHBondContact O-CB 2.9Å; M469-Y472 PolarHBondContact O-N 3.41Å; M469-I473 VanDerWaalsContact O-CG1 3.31Å; M469-I473 WeakPolarHBondContact O-CG1 3.44Å; M469-I473 PolarHBondContact O-N 3.44Å; M469-L496 HydrophobicContact CE-CD1 3.91Å; M469-L496 HydrophobicContact SD-CD1 4.37Å; M469-L499 HydrophobicContact CG-CB 4.41Å; M469-L499 HydrophobicContact SD-CB 3.5Å; M469-L499 VanDerWaalsContact SD-CB 3.5Å; M469-L499 HydrophobicContact SD-CD1 3.81Å; M469-L499 HydrophobicContact SD-CG 4.27Å; M469-Q504 HydrophobicContact CG-CB 3.69Å; M469-Q504 HydrophobicContact CG-CG 4.18Å; M469-I514 HydrophobicContact CE-CD1 4.1Å
470Q77.3Confident77Confident160 Ų16054 Ų5475%0.74826%0.256SS*.Hα-helixtrans-62.8-41.2176.9-69.1-179.3-29.500112.4T468 I473 Q474T468-Q470 VanDerWaalsContact C-N 3.32Å; T468-Q470 PolarHBondContact O-N 3.04Å; Q470-I473 PolarHBondContact O-N 3.04Å; Q470-Q474 WeakPolarHBondContact O-CB 3.43Å; Q470-Q474 PolarHBondContact O-N 3.39Å
471Q79.1Confident75.6Confident45 Ų4550.6 Ų50.621%0.2124%0.243CC..Hα-helixtrans-66.9-37.5175.6-72.2165.1-12.900111.9P367 N371 L467 T468 M469 Q474 L475P367-Q471 HydrophobicContact CB-CB 4.42Å; P367-Q471 HydrophobicContact CB-CG 4.48Å; N371-Q471 PolarHBondContact ND2-O 2.89Å; L467-Q471 HydrophobicContact CD1-CB 3.75Å; T468-Q471 PolarHBondContact O-N 2.72Å; T468-Q471 WeakPolarHBondContact OG1-CB 3.42Å; T468-Q471 VanDerWaalsContact OG1-CD 3.28Å; T468-Q471 VanDerWaalsContact OG1-CG 3.25Å; T468-Q471 WeakPolarHBondContact OG1-CG 3.47Å; T468-Q471 PolarHBondContact OG1-N 2.92Å; T468-Q471 PolarHBondContact OG1-OE1 2.95Å; M469-Q471 PolarHBondContact O-N 3.5Å; Q471-Q474 PolarHBondContact O-N 3.44Å; Q471-L475 VanDerWaalsContact O-CG 3.25Å; Q471-L475 WeakPolarHBondContact O-CG 3.26Å; Q471-L475 PolarHBondContact O-N 3.21Å
472Y80.4Confident74.2Confident0 Ų052.2 Ų52.20%026%0.255CS..Hα-helixtrans-63-47.6175.4172.8-101.8000111.7M458 L467 T468 M469 Q474 L475 L476 L492 I495 L496 L499 I514M458-Y472 HydrophobicContact CE-CD2 3.32Å; M458-Y472 HydrophobicContact CE-CE2 3.69Å; M458-Y472 HydrophobicContact CE-CG 4.28Å; L467-Y472 HydrophobicContact CD2-CD2 4.19Å; T468-Y472 PolarHBondContact O-N 3.16Å; M469-Y472 WeakPolarHBondContact O-CB 2.9Å; M469-Y472 PolarHBondContact O-N 3.41Å; Y472-Q474 PolarHBondContact O-N 2.9Å; Y472-L475 PolarHBondContact O-N 3.45Å; Y472-L476 HydrophobicContact CD1-CD1 3.93Å; Y472-L476 HydrophobicContact CD1-CG 4.49Å; Y472-L476 HydrophobicContact CE1-CD1 3.33Å; Y472-L476 HydrophobicContact CE1-CG 4.11Å; Y472-L476 HydrophobicContact CE2-CD1 4.36Å; Y472-L476 HydrophobicContact CE2-CG 4.33Å; Y472-L476 PolarHBondContact O-N 2.89Å; Y472-L492 PolarHBondContact OH-O 3.2Å; Y472-I495 HydrophobicContact CD2-CB 4.26Å; Y472-I495 HydrophobicContact CD2-CG2 3.36Å; Y472-I495 HydrophobicContact CE2-CB 3.66Å; Y472-I495 HydrophobicContact CE2-CD1 4.17Å; Y472-I495 HydrophobicContact CE2-CG2 3.28Å; Y472-I495 HydrophobicContact CG-CG2 4.36Å; Y472-L496 HydrophobicContact CE1-CD1 4.08Å; Y472-L499 HydrophobicContact CD1-CD1 4.11Å; Y472-L499 HydrophobicContact CD2-CD1 3.95Å; Y472-L499 HydrophobicContact CG-CD1 3.62Å; Y472-I514 HydrophobicContact CD1-CD1 4.48Å; Y472-I514 HydrophobicContact CE1-CD1 4.22Å; Y472-I514 HydrophobicContact CE1-CG1 4.43Å
473I75Confident72.8Confident11 Ų1157.1 Ų57.16%0.05628%0.28CS..Hα-helixtrans-60.6-44.5176.1-68.4162.9000110.9M469 Q470 L475 L476 K477 D510 E513 I514M469-I473 VanDerWaalsContact O-CG1 3.31Å; M469-I473 WeakPolarHBondContact O-CG1 3.44Å; M469-I473 PolarHBondContact O-N 3.44Å; Q470-I473 PolarHBondContact O-N 3.04Å; I473-L475 VanDerWaalsContact C-N 3.33Å; I473-L475 PolarHBondContact O-N 3.46Å; I473-L476 PolarHBondContact O-N 2.79Å; I473-K477 WeakPolarHBondContact O-CG 3.48Å; I473-K477 PolarHBondContact O-N 2.91Å; I473-D510 HydrophobicContact CD1-CB 3.76Å; I473-E513 WeakPolarHBondContact CG2-OE2 3.32Å; I473-I514 HydrophobicContact CD1-CD1 4.34Å; I473-I514 HydrophobicContact CG1-CD1 4Å; I473-I514 HydrophobicContact CG1-CG1 4.01Å
474Q76.5Confident71.4Confident60 Ų6059.6 Ų59.628%0.2829%0.293SS..Hα-helixtrans-68.2-29.5179.6-170.959.340.500113.5N371 N375 Q470 Q471 Y472 Q478N371-Q474 HydrophobicContact CB-CG 4.36Å; N371-Q474 VanDerWaalsContact OD1-CB 3.28Å; N371-Q474 WeakPolarHBondContact OD1-CB 3.35Å; N371-Q474 WeakPolarHBondContact OD1-CG 3.02Å; N375-Q474 PolarHBondContact ND2-NE2 3.06Å; N375-Q474 VanDerWaalsContact ND2-NE2 3.11Å; N375-Q474 PolarHBondContact OD1-NE2 3.48Å; N375-Q474 VanDerWaalsContact OD1-NE2 3.14Å; Q470-Q474 WeakPolarHBondContact O-CB 3.43Å; Q470-Q474 PolarHBondContact O-N 3.39Å; Q471-Q474 PolarHBondContact O-N 3.44Å; Y472-Q474 PolarHBondContact O-N 2.9Å; Q474-Q478 PolarHBondContact O-NE2 3.23Å
475L76.7Confident70.2Confident0 Ų060 Ų600%030%0.295CS..Hα-helixtrans-72.9-44.4170.8-69.2172.3000111M370 N371 L374 M458 L467 Q471 Y472 I473 K477 Q478 I479M370-L475 HydrophobicContact CB-CD2 4.35Å; M370-L475 HydrophobicContact CG-CD2 3.83Å; N371-L475 WeakPolarHBondContact OD1-CD2 3.25Å; N371-L475 WeakPolarHBondContact OD1-CG 3.42Å; N371-L475 PolarHBondContact OD1-N 3.08Å; L374-L475 HydrophobicContact CD1-CD2 3.64Å; M458-L475 HydrophobicContact CE-CB 3.69Å; M458-L475 HydrophobicContact CE-CD1 4.04Å; M458-L475 HydrophobicContact CG-CD1 3.61Å; M458-L475 HydrophobicContact SD-CB 3.72Å; M458-L475 HydrophobicContact SD-CD1 3.76Å; M458-L475 HydrophobicContact SD-CG 4.33Å; L467-L475 HydrophobicContact CD1-CD1 4.2Å; Q471-L475 VanDerWaalsContact O-CG 3.25Å; Q471-L475 WeakPolarHBondContact O-CG 3.26Å; Q471-L475 PolarHBondContact O-N 3.21Å; Y472-L475 PolarHBondContact O-N 3.45Å; I473-L475 VanDerWaalsContact C-N 3.33Å; I473-L475 PolarHBondContact O-N 3.46Å; L475-K477 VanDerWaalsContact C-N 3.35Å; L475-K477 PolarHBondContact O-N 2.97Å; L475-Q478 PolarHBondContact O-N 3.37Å; L475-Q478 VanDerWaalsContact O-N 3.14Å; L475-I479 WeakPolarHBondContact O-CG1 3.35Å; L475-I479 PolarHBondContact O-N 2.89Å
476L75.5Confident69.2Low3 Ų355.5 Ų55.52%0.01628%0.279CS..Hα-helixtrans-55.4-45.4176.9-83.8-179000112.7Y472 I473 Q478 I479 L492 I514 I518Y472-L476 HydrophobicContact CD1-CD1 3.93Å; Y472-L476 HydrophobicContact CD1-CG 4.49Å; Y472-L476 HydrophobicContact CE1-CD1 3.33Å; Y472-L476 HydrophobicContact CE1-CG 4.11Å; Y472-L476 HydrophobicContact CE2-CD1 4.36Å; Y472-L476 HydrophobicContact CE2-CG 4.33Å; Y472-L476 PolarHBondContact O-N 2.89Å; I473-L476 PolarHBondContact O-N 2.79Å; L476-Q478 PolarHBondContact O-N 2.86Å; L476-I479 PolarHBondContact O-N 3.34Å; L476-I479 VanDerWaalsContact O-N 3.11Å; L476-L492 HydrophobicContact CD2-CD1 3.98Å; L476-L492 HydrophobicContact CD2-CD2 3.78Å; L476-L492 HydrophobicContact CD2-CG 4.43Å; L476-I514 HydrophobicContact CD1-CB 4.5Å; L476-I514 HydrophobicContact CD1-CG1 4.09Å; L476-I514 HydrophobicContact CD1-CG2 4.13Å; L476-I518 HydrophobicContact CD1-CD1 4.48Å
477K74.3Confident68.5Low77 Ų7752.9 Ų52.934%0.33528%0.276SS..THydrogen-bonded Turntrans-53.1-29.4179-75.3177.2-171.1-168.40113.9I473 L475 E513I473-K477 WeakPolarHBondContact O-CG 3.48Å; I473-K477 PolarHBondContact O-N 2.91Å; L475-K477 VanDerWaalsContact C-N 3.35Å; L475-K477 PolarHBondContact O-N 2.97Å; K477-E513 WeakPolarHBondContact CE-OE1 3.28Å; K477-E513 WeakPolarHBondContact CE-OE2 3.44Å; K477-E513 IonicContact NZ-OE1 2.77Å; K477-E513 PolarHBondContact NZ-OE1 3.41Å; K477-E513 IonicContact NZ-OE2 2.73Å; K477-E513 PolarHBondContact NZ-OE2 2.94Å
478Q68.2Low67.8Low36 Ų3653 Ų5317%0.16828%0.277CS..THydrogen-bonded Turntrans-98.8-17.7-173-59.8-176.379.300112.4L374 N375 L446 Q474 L475 L476 Q480L374-Q478 HydrophobicContact CB-CB 4.42Å; L374-Q478 PolarHBondContact O-OE1 2.92Å; N375-Q478 VanDerWaalsContact OD1-CD 3.25Å; N375-Q478 PolarHBondContact OD1-NE2 3.45Å; N375-Q478 PolarHBondContact OD1-OE1 3.28Å; N375-Q478 VanDerWaalsContact OD1-OE1 3.12Å; L446-Q478 WeakPolarHBondContact CD1-O 3.43Å; Q474-Q478 PolarHBondContact O-NE2 3.23Å; L475-Q478 PolarHBondContact O-N 3.37Å; L475-Q478 VanDerWaalsContact O-N 3.14Å; L476-Q478 PolarHBondContact O-N 2.86Å; Q478-Q480 PolarHBondContact O-N 2.87Å
479I68.7Low67.3Low2 Ų250.8 Ų50.81%0.0126%0.263CS..  trans-95.592.4175.5-57.3165.2000108.3A451 I454 I455 M458 L475 L476 V481A451-I479 HydrophobicContact CB-CG2 3.95Å; I454-I479 HydrophobicContact CB-CD1 4.27Å; I454-I479 HydrophobicContact CG2-CD1 3.67Å; I455-I479 HydrophobicContact CD1-CG2 4.39Å; I455-I479 HydrophobicContact CG1-CD1 4.45Å; M458-I479 HydrophobicContact SD-CD1 3.89Å; L475-I479 WeakPolarHBondContact O-CG1 3.35Å; L475-I479 PolarHBondContact O-N 2.89Å; L476-I479 PolarHBondContact O-N 3.34Å; L476-I479 VanDerWaalsContact O-N 3.11Å; I479-V481 HydrophobicContact CG2-CG2 4.14Å; I479-V481 PolarHBondContact O-N 3.17Å
480Q61.2Low67.1Low110 Ų11050.8 Ų50.851%0.51426%0.264SS..  trans-70.3100.5162.3-69.9-174.23.200108.3Q478 P482Q478-Q480 PolarHBondContact O-N 2.87Å; Q480-P482 WeakPolarHBondContact O-CD 3.17Å
481V56.7Low66.9Low18 Ų1844.5 Ų44.511%0.10924%0.235CC..  trans-65.7122.1178.7-175.60000109I479 N483 L488 L492I479-V481 HydrophobicContact CG2-CG2 4.14Å; I479-V481 PolarHBondContact O-N 3.17Å; V481-N483 PolarHBondContact O-N 3.26Å; V481-L488 HydrophobicContact CG1-CB 4.38Å; V481-L488 HydrophobicContact CG1-CD1 4.4Å; V481-L492 HydrophobicContact CG2-CD1 3.71Å
482P52.3Low66.8Low46 Ų4642.3 Ų42.330%0.29923%0.225SC..  trans-68.4124.4174.725.2-30000110E448 Q480 N484E448-P482 HydrophobicContact CB-CG 4.44Å; E448-P482 HydrophobicContact CG-CG 3.88Å; Q480-P482 WeakPolarHBondContact O-CD 3.17Å; P482-N484 PolarHBondContact O-N 3.02Å
483N51.4Low66.5Low113 Ų11342.4 Ų42.460%0.60423%0.225SC*.THydrogen-bonded Turntrans-56.11.2-163.9-68.8-33.9000118.5V481 N522V481-N483 PolarHBondContact O-N 3.26Å; N483-N522 PolarHBondContact O-ND2 2.98Å
484N51.1Low66.5Low150 Ų15045.7 Ų45.780%0.80224%0.239SC*.THydrogen-bonded Turntrans-114.33.2-162.4-70.4-11.8000115.8P482P482-N484 PolarHBondContact O-N 3.02Å
485Q57.6Low66.4Low72 Ų7242.8 Ų42.834%0.33623%0.226SC..  trans-120.2100.5-178.5-78.5177.820.800114E448 N452 S487 L488E448-Q485 PolarHBondContact OE1-NE2 3.07Å; N452-Q485 PolarHBondContact ND2-OE1 3.19Å; Q485-S487 PolarHBondContact O-N 3.34Å; Q485-L488 HydrophobicContact CB-CD1 3.88Å; Q485-L488 HydrophobicContact CB-CG 4.05Å; Q485-L488 PolarHBondContact O-N 3.45Å; Q485-L488 VanDerWaalsContact O-N 3.1Å
486T58.7Low66.3Low70 Ų7042.8 Ų42.843%0.42923%0.226SC..Hα-helixtrans-56.4-23.9177.554.30000114.7N490 N522T486-N490 PolarHBondContact O-ND2 2.96Å; T486-N522 WeakPolarHBondContact CA-O 3.48Å; T486-N522 VanDerWaalsContact CB-O 3.23Å; T486-N522 WeakPolarHBondContact CB-O 3.45Å; T486-N522 HydrophobicContact CG2-CB 4.12Å; T486-N522 WeakPolarHBondContact CG2-O 3.3Å
487S63.1Low66.3Low70 Ų7043.1 Ų43.149%0.4923%0.227SC..Hα-helixtrans-67.7-36.5177.4-161.90000112.8Q485 D491Q485-S487 PolarHBondContact O-N 3.34Å; S487-D491 PolarHBondContact O-N 2.87Å
488L65.4Low66.4Low11 Ų1142.8 Ų42.86%0.05823%0.226CC..Hα-helixtrans-75.1-45.6-170.9-58.8175.3000111.7N452 I455 V481 Q485 N490 D491 L492N452-L488 HydrophobicContact CB-CD2 4.39Å; N452-L488 WeakPolarHBondContact OD1-CD1 3.46Å; N452-L488 WeakPolarHBondContact OD1-CD2 3.34Å; I455-L488 HydrophobicContact CD1-CB 4.21Å; I455-L488 HydrophobicContact CD1-CD2 4.14Å; V481-L488 HydrophobicContact CG1-CB 4.38Å; V481-L488 HydrophobicContact CG1-CD1 4.4Å; Q485-L488 HydrophobicContact CB-CD1 3.88Å; Q485-L488 HydrophobicContact CB-CG 4.05Å; Q485-L488 PolarHBondContact O-N 3.45Å; Q485-L488 VanDerWaalsContact O-N 3.1Å; L488-N490 PolarHBondContact O-N 3.15Å; L488-D491 PolarHBondContact O-N 2.76Å; L488-L492 WeakPolarHBondContact O-CG 3.35Å; L488-L492 PolarHBondContact O-N 3.11Å
489D67.7Low66.5Low2 Ų241.3 Ų41.31%0.01122%0.219CC..Hα-helixtrans-59.7-37176.7-68.1-59.6000111.4V493 S519 N522D489-V493 WeakPolarHBondContact O-CG2 3.45Å; D489-V493 PolarHBondContact O-N 3.39Å; D489-V493 VanDerWaalsContact O-N 3.12Å; D489-S519 PolarHBondContact OD1-N 3.19Å; D489-N522 HydrophobicContact CB-CB 4.02Å; D489-N522 WeakPolarHBondContact OD2-CB 3.45Å; D489-N522 PolarHBondContact OD2-ND2 2.8Å
490N72.1Confident66.7Low11 Ų1143.3 Ų43.36%0.05923%0.232CC..Hα-helixtrans-62.5-42.5172.4-80.9-54000113T486 L488 V493 K494 C523 T524 T527T486-N490 PolarHBondContact O-ND2 2.96Å; L488-N490 PolarHBondContact O-N 3.15Å; N490-V493 PolarHBondContact O-N 3.3Å; N490-K494 VanDerWaalsContact O-CG 3.27Å; N490-K494 WeakPolarHBondContact O-CG 3.35Å; N490-K494 PolarHBondContact O-N 2.88Å; N490-C523 WeakPolarHBondContact OD1-CA 3.41Å; N490-T524 PolarHBondContact ND2-N 3.4Å; N490-T524 PolarHBondContact OD1-N 3.32Å; N490-T524 PolarHBondContact OD1-OG1 3.09Å; N490-T527 HydrophobicContact CB-CG2 4.36Å; N490-T527 WeakPolarHBondContact OD1-CG2 3.18Å; N490-T527 PolarHBondContact OD1-OG1 3.29Å
491D74.2Confident67.2Low27 Ų2744.7 Ų44.714%0.14424%0.236CC..Hα-helixtrans-72-34.9-177.8-72.8-20.4000111.7I455 L459 S487 L488 K494 I495I455-D491 HydrophobicContact CG2-CB 3.96Å; L459-D491 HydrophobicContact CD1-CB 3.63Å; L459-D491 HydrophobicContact CG-CB 4.3Å; S487-D491 PolarHBondContact O-N 2.87Å; L488-D491 PolarHBondContact O-N 2.76Å; D491-K494 PolarHBondContact O-N 3.49Å; D491-K494 IonicContact OD1-NZ 3.79Å; D491-K494 PolarHBondContact OD1-NZ 2.88Å; D491-I495 WeakPolarHBondContact O-CG1 3.43Å; D491-I495 PolarHBondContact O-N 3.23Å
492L76Confident67.4Low0 Ų046.9 Ų46.90%025%0.252CS..Hα-helixtrans-61.8-45.8170-69.1178.9000112.5I455 Y472 L476 V481 L488 I495 L496 I518I455-L492 HydrophobicContact CD1-CD2 4.38Å; I455-L492 HydrophobicContact CD1-CG 4.48Å; I455-L492 HydrophobicContact CG1-CD2 4.02Å; I455-L492 HydrophobicContact CG2-CD2 4.2Å; I455-L492 HydrophobicContact CG2-CG 4.49Å; Y472-L492 PolarHBondContact OH-O 3.2Å; L476-L492 HydrophobicContact CD2-CD1 3.98Å; L476-L492 HydrophobicContact CD2-CD2 3.78Å; L476-L492 HydrophobicContact CD2-CG 4.43Å; V481-L492 HydrophobicContact CG2-CD1 3.71Å; L488-L492 WeakPolarHBondContact O-CG 3.35Å; L488-L492 PolarHBondContact O-N 3.11Å; L492-I495 HydrophobicContact CD2-CD1 4.22Å; L492-I495 WeakPolarHBondContact O-CB 3.26Å; L492-I495 PolarHBondContact O-N 3.31Å; L492-L496 PolarHBondContact O-N 2.92Å; L492-L496 VanDerWaalsContact O-N 3.12Å; L492-I518 HydrophobicContact CB-CD1 4Å; L492-I518 HydrophobicContact CB-CG1 4.39Å; L492-I518 HydrophobicContact CD1-CG1 4.29Å
493V74Confident67.8Low1 Ų147.7 Ų47.71%0.00627%0.269CS..Hα-helixtrans-65.6-37.8176.2174.40000111.5D489 N490 I495 L496 I497 I518 L520 A531 F537D489-V493 WeakPolarHBondContact O-CG2 3.45Å; D489-V493 PolarHBondContact O-N 3.39Å; D489-V493 VanDerWaalsContact O-N 3.12Å; N490-V493 PolarHBondContact O-N 3.3Å; V493-I495 VanDerWaalsContact C-N 3.34Å; V493-I495 PolarHBondContact O-N 2.93Å; V493-L496 WeakPolarHBondContact O-CB 3.43Å; V493-L496 PolarHBondContact O-N 3.19Å; V493-I497 HydrophobicContact CG1-CD1 3.93Å; V493-I497 HydrophobicContact CG1-CG1 4.39Å; V493-I497 VanDerWaalsContact O-CG1 3.3Å; V493-I497 WeakPolarHBondContact O-CG1 3.27Å; V493-I497 PolarHBondContact O-N 2.89Å; V493-I518 HydrophobicContact CG2-CG2 4Å; V493-L520 HydrophobicContact CG2-CD2 4.23Å; V493-A531 HydrophobicContact CG1-CB 4.09Å; V493-F537 HydrophobicContact CG2-CE2 4.25Å
494K75.4Confident68.1Low80 Ų8046.1 Ų46.135%0.34826%0.258SS..Hα-helixtrans-61.7-37.9172.7-72.3169.8-156.6159.50113L459 N490 D491 K498 T527L459-K494 HydrophobicContact CD2-CB 4.08Å; N490-K494 VanDerWaalsContact O-CG 3.27Å; N490-K494 WeakPolarHBondContact O-CG 3.35Å; N490-K494 PolarHBondContact O-N 2.88Å; D491-K494 PolarHBondContact O-N 3.49Å; D491-K494 IonicContact OD1-NZ 3.79Å; D491-K494 PolarHBondContact OD1-NZ 2.88Å; K494-K498 VanDerWaalsContact O-CG 3.3Å; K494-K498 WeakPolarHBondContact O-CG 3.36Å; K494-K498 PolarHBondContact O-N 3.24Å; K494-K498 VanDerWaalsContact O-N 3.11Å; K494-T527 HydrophobicContact CG-CG2 4.38Å
495I74.5Confident68.1Low0 Ų044.5 Ų44.50%026%0.256CS..Hα-helixtrans-61.6-47.7173.3-64.9156.8000109.7M458 L459 A462 L467 Y472 D491 L492 V493 I497 K498 L499M458-I495 HydrophobicContact CB-CD1 3.59Å; L459-I495 HydrophobicContact CB-CG1 4.28Å; L459-I495 HydrophobicContact CD2-CD1 4.46Å; L459-I495 HydrophobicContact CD2-CG1 3.67Å; L459-I495 HydrophobicContact CG-CD1 4.01Å; L459-I495 HydrophobicContact CG-CG1 3.74Å; A462-I495 HydrophobicContact CB-CG2 4Å; L467-I495 HydrophobicContact CD2-CG2 4.02Å; Y472-I495 HydrophobicContact CD2-CB 4.26Å; Y472-I495 HydrophobicContact CD2-CG2 3.36Å; Y472-I495 HydrophobicContact CE2-CB 3.66Å; Y472-I495 HydrophobicContact CE2-CD1 4.17Å; Y472-I495 HydrophobicContact CE2-CG2 3.28Å; Y472-I495 HydrophobicContact CG-CG2 4.36Å; D491-I495 WeakPolarHBondContact O-CG1 3.43Å; D491-I495 PolarHBondContact O-N 3.23Å; L492-I495 HydrophobicContact CD2-CD1 4.22Å; L492-I495 WeakPolarHBondContact O-CB 3.26Å; L492-I495 PolarHBondContact O-N 3.31Å; V493-I495 VanDerWaalsContact C-N 3.34Å; V493-I495 PolarHBondContact O-N 2.93Å; I495-I497 PolarHBondContact O-N 2.62Å; I495-K498 PolarHBondContact O-N 2.91Å; I495-K498 VanDerWaalsContact O-N 3.12Å; I495-L499 HydrophobicContact CG2-CD1 3.77Å; I495-L499 HydrophobicContact CG2-CG 4.18Å; I495-L499 WeakPolarHBondContact O-CG 3.41Å; I495-L499 PolarHBondContact O-N 3.03Å
496L74.5Confident68.1Low0 Ų044.4 Ų44.40%025%0.252CS..Hα-helixtrans-58.6-48.3179-17365.5000111.5M469 Y472 L492 V493 K498 L499 T500 I514 L536 F537M469-L496 HydrophobicContact CE-CD1 3.91Å; M469-L496 HydrophobicContact SD-CD1 4.37Å; Y472-L496 HydrophobicContact CE1-CD1 4.08Å; L492-L496 PolarHBondContact O-N 2.92Å; L492-L496 VanDerWaalsContact O-N 3.12Å; V493-L496 WeakPolarHBondContact O-CB 3.43Å; V493-L496 PolarHBondContact O-N 3.19Å; L496-K498 VanDerWaalsContact C-N 3.27Å; L496-K498 PolarHBondContact O-N 3.26Å; L496-L499 PolarHBondContact O-N 2.66Å; L496-T500 PolarHBondContact O-N 2.68Å; L496-T500 PolarHBondContact O-OG1 2.91Å; L496-I514 HydrophobicContact CD1-CD1 3.89Å; L496-I514 HydrophobicContact CD2-CG2 4.23Å; L496-L536 HydrophobicContact CD2-CB 4.21Å; L496-L536 HydrophobicContact CD2-CD1 4.18Å; L496-L536 HydrophobicContact CG-CD1 4.17Å; L496-L536 HydrophobicContact CG-CD2 4.44Å; L496-F537 HydrophobicContact CD2-CE1 4.02Å; L496-F537 HydrophobicContact CD2-CE2 4.05Å; L496-F537 HydrophobicContact CD2-CZ 3.48Å; L496-F537 VanDerWaalsContact CD2-CZ 3.48Å
497I75.9Confident68.2Low10 Ų1046 Ų465%0.05126%0.258CS..Hα-helixtrans-50.9-45.6173.8-71.2162.6000111.5V493 I495 K501 D530 L534 L536V493-I497 HydrophobicContact CG1-CD1 3.93Å; V493-I497 HydrophobicContact CG1-CG1 4.39Å; V493-I497 VanDerWaalsContact O-CG1 3.3Å; V493-I497 WeakPolarHBondContact O-CG1 3.27Å; V493-I497 PolarHBondContact O-N 2.89Å; I495-I497 PolarHBondContact O-N 2.62Å; I497-K501 HydrophobicContact CG2-CD 4.04Å; I497-K501 WeakPolarHBondContact O-CB 3.39Å; I497-K501 VanDerWaalsContact O-CG 3.31Å; I497-K501 WeakPolarHBondContact O-CG 3.5Å; I497-K501 PolarHBondContact O-N 3.28Å; I497-K501 VanDerWaalsContact O-N 3.09Å; I497-D530 HydrophobicContact CD1-CB 3.6Å; I497-D530 HydrophobicContact CG1-CB 4.5Å; I497-L534 HydrophobicContact CB-CD1 4.3Å; I497-L534 HydrophobicContact CG1-CD1 4.1Å; I497-L534 HydrophobicContact CG2-CD1 3.72Å; I497-L536 HydrophobicContact CB-CD1 4.32Å; I497-L536 HydrophobicContact CG1-CD1 3.42Å; I497-L536 VanDerWaalsContact CG1-CD1 3.42Å
498K75.9Confident68.2Low70 Ų7050.4 Ų50.430%0.30427%0.271SS..Hα-helixtrans-68.5-42.5-179.2-71.1170.7-176.2-176.50112.4A462 D463 K494 I495 L496 K501 S502A462-K498 HydrophobicContact CB-CB 4.48Å; D463-K498 WeakPolarHBondContact OD1-CD 3.38Å; D463-K498 WeakPolarHBondContact OD1-CE 3.34Å; D463-K498 IonicContact OD1-NZ 2.7Å; D463-K498 PolarHBondContact OD1-NZ 3.39Å; D463-K498 IonicContact OD2-NZ 2.74Å; D463-K498 PolarHBondContact OD2-NZ 3.01Å; K494-K498 VanDerWaalsContact O-CG 3.3Å; K494-K498 WeakPolarHBondContact O-CG 3.36Å; K494-K498 PolarHBondContact O-N 3.24Å; K494-K498 VanDerWaalsContact O-N 3.11Å; I495-K498 PolarHBondContact O-N 2.91Å; I495-K498 VanDerWaalsContact O-N 3.12Å; L496-K498 VanDerWaalsContact C-N 3.27Å; L496-K498 PolarHBondContact O-N 3.26Å; K498-K501 PolarHBondContact O-N 3.1Å; K498-S502 PolarHBondContact O-N 3.35Å
499L71.3Confident68Low4 Ų457.4 Ų57.42%0.02130%0.303CS..Hα-helixtrans-69-32.2178.5-65.1174000112.8A462 L467 M469 Y472 I495 L496 S502A462-L499 HydrophobicContact CB-CD2 4.41Å; L467-L499 HydrophobicContact CB-CD2 4.29Å; L467-L499 HydrophobicContact CD2-CD1 4.28Å; L467-L499 HydrophobicContact CG-CD2 4.42Å; L467-L499 WeakPolarHBondContact O-CD2 3.47Å; M469-L499 HydrophobicContact CG-CB 4.41Å; M469-L499 HydrophobicContact SD-CB 3.5Å; M469-L499 VanDerWaalsContact SD-CB 3.5Å; M469-L499 HydrophobicContact SD-CD1 3.81Å; M469-L499 HydrophobicContact SD-CG 4.27Å; Y472-L499 HydrophobicContact CD1-CD1 4.11Å; Y472-L499 HydrophobicContact CD2-CD1 3.95Å; Y472-L499 HydrophobicContact CG-CD1 3.62Å; I495-L499 HydrophobicContact CG2-CD1 3.77Å; I495-L499 HydrophobicContact CG2-CG 4.18Å; I495-L499 WeakPolarHBondContact O-CG 3.41Å; I495-L499 PolarHBondContact O-N 3.03Å; L496-L499 PolarHBondContact O-N 2.66Å; L499-S502 PolarHBondContact O-OG 2.77Å
500T71.8Confident68Low45 Ų4559 Ų5928%0.27631%0.312SS..Hα-helixtrans-73.7-38.9174.3-44.90000111.2L496 S502 G503 L536L496-T500 PolarHBondContact O-N 2.68Å; L496-T500 PolarHBondContact O-OG1 2.91Å; T500-S502 PolarHBondContact O-N 3.42Å; T500-G503 PolarHBondContact O-N 3.33Å; T500-L536 HydrophobicContact CG2-CD2 3.89Å; T500-L536 WeakPolarHBondContact OG1-CD2 3.1Å
501K72.2Confident67.6Low138 Ų13859.2 Ų59.260%0.632%0.315SS*.Hα-helixtrans-64.6-21.1175.1-77175.7179.3172.40114.2I497 K498 G503I497-K501 HydrophobicContact CG2-CD 4.04Å; I497-K501 WeakPolarHBondContact O-CB 3.39Å; I497-K501 VanDerWaalsContact O-CG 3.31Å; I497-K501 WeakPolarHBondContact O-CG 3.5Å; I497-K501 PolarHBondContact O-N 3.28Å; I497-K501 VanDerWaalsContact O-N 3.09Å; K498-K501 PolarHBondContact O-N 3.1Å; K501-G503 VanDerWaalsContact C-N 3.31Å
502S61.5Low67Low65 Ų6563.7 Ų63.746%0.45534%0.335SS..THydrogen-bonded Turntrans-85.23.8175.463.70000114.6K498 L499 T500K498-S502 PolarHBondContact O-N 3.35Å; L499-S502 PolarHBondContact O-OG 2.77Å; T500-S502 PolarHBondContact O-N 3.42Å
503G60.1Low66.5Low63 Ų6367 Ų6765%0.64935%0.35SS*.THydrogen-bonded Turntrans85.319.9168.500000115.9T500 K501T500-G503 PolarHBondContact O-N 3.33Å; K501-G503 VanDerWaalsContact C-N 3.31Å
504Q56.7Low66.1Low79 Ų7967 Ų6737%0.36935%0.35SS..  trans-74.1125.4170.2-63.8-119-70.400110.1M469M469-Q504 HydrophobicContact CG-CB 3.69Å; M469-Q504 HydrophobicContact CG-CG 4.18Å
505P52.1Low65.6Low117 Ų11765.3 Ų65.376%0.7635%0.345SS*.  trans-68144173.729.8-34.3000110.2
506R56.6Low65.1Low70 Ų7070.5 Ų70.526%0.26438%0.376SS..  trans-112.8131.7-178.2-177.1-167.8-169.6-174.512.4109.5D510 A511 L536R506-D510 HydrophobicContact CG-CB 4.23Å; R506-A511 VanDerWaalsContact NE-CB 3.35Å; R506-A511 VanDerWaalsContact NH2-CA 3.33Å; R506-L536 VanDerWaalsContact NH1-C 3.34Å; R506-L536 PolarHBondContact NH1-O 3.39Å; R506-L536 PolarHBondContact NH2-O 2.78Å
507N62.1Low64.5Low103 Ų10373.2 Ų73.255%0.55139%0.389SS*.  trans-85.2152.3168.3-66.9-19.1000110.1E509 D510 A511N507-E509 PolarHBondContact O-N 3.11Å; N507-D510 WeakPolarHBondContact CB-OD2 3.39Å; N507-D510 PolarHBondContact N-OD2 3.14Å; N507-D510 WeakPolarHBondContact O-CB 3.44Å; N507-D510 PolarHBondContact O-N 2.66Å; N507-D510 VanDerWaalsContact O-N 3.15Å; N507-A511 PolarHBondContact O-N 2.88Å
508E61.2Low64.1Low163 Ų16373.2 Ų73.276%0.76239%0.389SS*.Hα-helixtrans-60.9-29.2177.8-64-174.5156.200112.2A511 H512E508-A511 VanDerWaalsContact O-CB 3.24Å; E508-A511 WeakPolarHBondContact O-CB 3.47Å; E508-A511 PolarHBondContact O-N 3.21Å; E508-A511 VanDerWaalsContact O-N 3.16Å; E508-H512 PolarHBondContact O-CD2 2.73Å; E508-H512 PolarHBondContact O-N 2.79Å; E508-H512 VanDerWaalsContact O-N 3.15Å
509E63.1Low63.6Low158 Ų15872 Ų7274%0.73839%0.389SS*.Hα-helixtrans-62.4-46.7174.3-62.2178.4167.200112N507 A511 H512 E513N507-E509 PolarHBondContact O-N 3.11Å; E509-A511 PolarHBondContact O-N 2.83Å; E509-H512 PolarHBondContact O-N 2.95Å; E509-E513 PolarHBondContact O-N 3.26Å
510D65.8Low63.5Low36 Ų3672.6 Ų72.619%0.19339%0.392CS..Hα-helixtrans-58.1-34.5173.7-55.9-42000111I473 R506 N507 I514I473-D510 HydrophobicContact CD1-CB 3.76Å; R506-D510 HydrophobicContact CG-CB 4.23Å; N507-D510 WeakPolarHBondContact CB-OD2 3.39Å; N507-D510 PolarHBondContact N-OD2 3.14Å; N507-D510 WeakPolarHBondContact O-CB 3.44Å; N507-D510 PolarHBondContact O-N 2.66Å; N507-D510 VanDerWaalsContact O-N 3.15Å; D510-I514 WeakPolarHBondContact O-CD1 3.32Å; D510-I514 WeakPolarHBondContact O-CG1 3.09Å; D510-I514 PolarHBondContact O-N 2.65Å; D510-I514 VanDerWaalsContact O-N 3.11Å
511A64.4Low63.1Low15 Ų1573.9 Ų73.912%0.12440%0.398CS..Hα-helixtrans-65.3-46.8179.300000112R506 N507 E508 E509 I515R506-A511 VanDerWaalsContact NE-CB 3.35Å; R506-A511 VanDerWaalsContact NH2-CA 3.33Å; N507-A511 PolarHBondContact O-N 2.88Å; E508-A511 VanDerWaalsContact O-CB 3.24Å; E508-A511 WeakPolarHBondContact O-CB 3.47Å; E508-A511 PolarHBondContact O-N 3.21Å; E508-A511 VanDerWaalsContact O-N 3.16Å; E509-A511 PolarHBondContact O-N 2.83Å; A511-I515 VanDerWaalsContact O-CD1 3.26Å; A511-I515 WeakPolarHBondContact O-CD1 3.33Å; A511-I515 WeakPolarHBondContact O-CG1 3.44Å; A511-I515 PolarHBondContact O-N 2.88Å
512H62.8Low62.8Low121 Ų12168.3 Ų68.356%0.5637%0.374SS*.Hα-helixtrans-65.6-41.5178-71.7-59.4000112.3E508 E509 I515 T516E508-H512 PolarHBondContact O-CD2 2.73Å; E508-H512 PolarHBondContact O-N 2.79Å; E508-H512 VanDerWaalsContact O-N 3.15Å; E509-H512 PolarHBondContact O-N 2.95Å; H512-I515 PolarHBondContact O-N 3.43Å; H512-T516 PolarHBondContact O-N 2.8Å
513E65Low63.1Low70 Ų7065.4 Ų65.433%0.32735%0.354SS..Hα-helixtrans-68.3-36.4-178.4-161.3165.6-134.100112.5I473 K477 E509 I515 T516 H517I473-E513 WeakPolarHBondContact CG2-OE2 3.32Å; K477-E513 WeakPolarHBondContact CE-OE1 3.28Å; K477-E513 WeakPolarHBondContact CE-OE2 3.44Å; K477-E513 IonicContact NZ-OE1 2.77Å; K477-E513 PolarHBondContact NZ-OE1 3.41Å; K477-E513 IonicContact NZ-OE2 2.73Å; K477-E513 PolarHBondContact NZ-OE2 2.94Å; E509-E513 PolarHBondContact O-N 3.26Å; E513-I515 VanDerWaalsContact C-N 3.34Å; E513-I515 PolarHBondContact O-N 3.49Å; E513-T516 PolarHBondContact O-N 3.28Å; E513-T516 PolarHBondContact O-OG1 3.47Å; E513-H517 PolarHBondContact O-CD2 3.16Å
514I65.9Low63.9Low1 Ų165.1 Ų65.11%0.00534%0.34CS..Hα-helixtrans-67.2-36.5173.8-65.8164.6000111.2M469 Y472 I473 L476 L496 D510 T516 H517 I518 F537M469-I514 HydrophobicContact CE-CD1 4.1Å; Y472-I514 HydrophobicContact CD1-CD1 4.48Å; Y472-I514 HydrophobicContact CE1-CD1 4.22Å; Y472-I514 HydrophobicContact CE1-CG1 4.43Å; I473-I514 HydrophobicContact CD1-CD1 4.34Å; I473-I514 HydrophobicContact CG1-CD1 4Å; I473-I514 HydrophobicContact CG1-CG1 4.01Å; L476-I514 HydrophobicContact CD1-CB 4.5Å; L476-I514 HydrophobicContact CD1-CG1 4.09Å; L476-I514 HydrophobicContact CD1-CG2 4.13Å; L496-I514 HydrophobicContact CD1-CD1 3.89Å; L496-I514 HydrophobicContact CD2-CG2 4.23Å; D510-I514 WeakPolarHBondContact O-CD1 3.32Å; D510-I514 WeakPolarHBondContact O-CG1 3.09Å; D510-I514 PolarHBondContact O-N 2.65Å; D510-I514 VanDerWaalsContact O-N 3.11Å; I514-T516 VanDerWaalsContact C-N 3.3Å; I514-T516 PolarHBondContact O-N 3.5Å; I514-H517 PolarHBondContact O-N 3.12Å; I514-I518 HydrophobicContact CG2-CD1 3.57Å; I514-I518 HydrophobicContact CG2-CG1 4.28Å; I514-I518 PolarHBondContact O-N 3.44Å; I514-F537 HydrophobicContact CG2-CE1 4.08Å; I514-F537 HydrophobicContact CG2-CZ 4.41Å
515I65.3Low64.8Low44 Ų4463.4 Ų63.423%0.22634%0.339CS..Hα-helixtrans-64-32.8178.3-69.3161.6000112A511 H512 E513 H517 F537 P538A511-I515 VanDerWaalsContact O-CD1 3.26Å; A511-I515 WeakPolarHBondContact O-CD1 3.33Å; A511-I515 WeakPolarHBondContact O-CG1 3.44Å; A511-I515 PolarHBondContact O-N 2.88Å; H512-I515 PolarHBondContact O-N 3.43Å; E513-I515 VanDerWaalsContact C-N 3.34Å; E513-I515 PolarHBondContact O-N 3.49Å; I515-H517 PolarHBondContact O-N 3.31Å; I515-F537 HydrophobicContact CD1-CD1 4.01Å; I515-F537 HydrophobicContact CG1-CD1 3.44Å; I515-F537 VanDerWaalsContact CG1-CD1 3.44Å; I515-F537 HydrophobicContact CG1-CE1 3.85Å; I515-P538 VanDerWaalsContact CD1-CD 3.47Å; I515-P538 HydrophobicContact CD1-CG 4.03Å
516T63.5Low65.9Low108 Ų10863.2 Ų63.266%0.66333%0.331SS*.Hα-helixtrans-69.9-18.7178.656.10000113.5H512 E513 I514H512-T516 PolarHBondContact O-N 2.8Å; E513-T516 PolarHBondContact O-N 3.28Å; E513-T516 PolarHBondContact O-OG1 3.47Å; I514-T516 VanDerWaalsContact C-N 3.3Å; I514-T516 PolarHBondContact O-N 3.5Å
517H60.9Low66.9Low58 Ų5860.1 Ų60.127%0.26932%0.32SS..Hα-helixtrans-106.5-13.8-175.8-74-76.2000115.1E513 I514 I515E513-H517 PolarHBondContact O-CD2 3.16Å; I514-H517 PolarHBondContact O-N 3.12Å; I515-H517 PolarHBondContact O-N 3.31Å
518I67.3Low67.5Low10 Ų1055.6 Ų55.65%0.05130%0.296CS..  trans-113.3122-176.7-58.9-178.8000111.6L476 L492 V493 I514 L520L476-I518 HydrophobicContact CD1-CD1 4.48Å; L492-I518 HydrophobicContact CB-CD1 4Å; L492-I518 HydrophobicContact CB-CG1 4.39Å; L492-I518 HydrophobicContact CD1-CG1 4.29Å; V493-I518 HydrophobicContact CG2-CG2 4Å; I514-I518 HydrophobicContact CG2-CD1 3.57Å; I514-I518 HydrophobicContact CG2-CG1 4.28Å; I514-I518 PolarHBondContact O-N 3.44Å; I518-L520 HydrophobicContact CG2-CD2 4.17Å; I518-L520 PolarHBondContact O-N 3.19Å; I518-L520 VanDerWaalsContact O-N 3.09Å
519S65.9Low68.3Low45 Ų4551.4 Ų51.432%0.31528%0.279SS..  trans-83.882.5177.3-78.60000111.7D489 N521 N522D489-S519 PolarHBondContact OD1-N 3.19Å; S519-N521 PolarHBondContact O-N 3.36Å; S519-N522 WeakPolarHBondContact O-CB 3.36Å; S519-N522 PolarHBondContact O-N 2.98Å
520L68.7Low69Low15 Ų1546.9 Ų46.98%0.07926%0.26CS..G310 helixtrans-51.3-26.6179.5-62.9178000114.3V493 I518 N522 C523 L528 F537 A545V493-L520 HydrophobicContact CG2-CD2 4.23Å; I518-L520 HydrophobicContact CG2-CD2 4.17Å; I518-L520 PolarHBondContact O-N 3.19Å; I518-L520 VanDerWaalsContact O-N 3.09Å; L520-N522 PolarHBondContact O-N 3.3Å; L520-N522 VanDerWaalsContact O-N 3.13Å; L520-C523 WeakPolarHBondContact O-CB 3.39Å; L520-C523 PolarHBondContact O-N 2.96Å; L520-L528 HydrophobicContact CB-CD2 4.34Å; L520-L528 HydrophobicContact CD2-CD2 4.47Å; L520-F537 HydrophobicContact CD1-CB 4.39Å; L520-F537 HydrophobicContact CD1-CD2 4.22Å; L520-F537 HydrophobicContact CD1-CG 4.13Å; L520-F537 HydrophobicContact CD2-CD2 3.88Å; L520-F537 HydrophobicContact CD2-CE2 3.62Å; L520-F537 HydrophobicContact CD2-CG 4.48Å; L520-F537 HydrophobicContact CD2-CZ 4Å; L520-A545 HydrophobicContact CB-CB 3.64Å
521N64.2Low69.5Low73 Ų7345.2 Ų45.239%0.3925%0.251SS..G310 helixtrans-59.5-17.6175.4-68.4-12.5000114.7S519 Y548S519-N521 PolarHBondContact O-N 3.36Å; N521-Y548 HydrophobicContact CB-CD1 3.64Å; N521-Y548 HydrophobicContact CB-CE1 3.88Å; N521-Y548 HydrophobicContact CB-CG 4.34Å; N521-Y548 WeakPolarHBondContact O-CD1 3.2Å
522N66.5Low70.1Confident20 Ų2048.3 Ų48.311%0.10727%0.265CS..G310 helixtrans-101.3-7.1-178.7-82.9-16.1000113.5N483 T486 D489 S519 L520N483-N522 PolarHBondContact O-ND2 2.98Å; T486-N522 WeakPolarHBondContact CA-O 3.48Å; T486-N522 VanDerWaalsContact CB-O 3.23Å; T486-N522 WeakPolarHBondContact CB-O 3.45Å; T486-N522 HydrophobicContact CG2-CB 4.12Å; T486-N522 WeakPolarHBondContact CG2-O 3.3Å; D489-N522 HydrophobicContact CB-CB 4.02Å; D489-N522 WeakPolarHBondContact OD2-CB 3.45Å; D489-N522 PolarHBondContact OD2-ND2 2.8Å; S519-N522 WeakPolarHBondContact O-CB 3.36Å; S519-N522 PolarHBondContact O-N 2.98Å; L520-N522 PolarHBondContact O-N 3.3Å; L520-N522 VanDerWaalsContact O-N 3.13Å
523C67.7Low70.8Confident5 Ų549.2 Ų49.23%0.03427%0.27CS..SBendtrans-71158.3179.7-63.60000112.6N490 L520 L528 V549N490-C523 WeakPolarHBondContact OD1-CA 3.41Å; L520-C523 WeakPolarHBondContact O-CB 3.39Å; L520-C523 PolarHBondContact O-N 2.96Å; C523-L528 HydrophobicContact CB-CD1 4.34Å; C523-L528 HydrophobicContact CB-CD2 3.94Å; C523-L528 HydrophobicContact CB-CG 3.81Å; C523-V549 WeakPolarHBondContact O-CG2 3.22Å
524T75.2Confident71.2Confident57 Ų5748.7 Ų48.735%0.3527%0.269SS..  trans-74.1162.3169.9530000111.1N490 D526 T527 L528N490-T524 PolarHBondContact ND2-N 3.4Å; N490-T524 PolarHBondContact OD1-N 3.32Å; N490-T524 PolarHBondContact OD1-OG1 3.09Å; T524-D526 PolarHBondContact O-N 3.12Å; T524-T527 PolarHBondContact N-OG1 3.35Å; T524-T527 PolarHBondContact O-N 3.26Å; T524-T527 PolarHBondContact O-OG1 2.86Å; T524-T527 VanDerWaalsContact O-OG1 3.11Å; T524-T527 PolarHBondContact OG1-N 3.17Å; T524-T527 PolarHBondContact OG1-OG1 2.69Å; T524-T527 VanDerWaalsContact OG1-OG1 3.12Å; T524-L528 WeakPolarHBondContact O-CG 3.42Å; T524-L528 PolarHBondContact O-N 3.16Å; T524-L528 VanDerWaalsContact O-N 3.13Å
525A76.3Confident71.5Confident42 Ų4254.5 Ų54.535%0.34730%0.3SS..Hα-helixtrans-59.3-35.7174.300000111.8N529A525-N529 WeakPolarHBondContact O-CB 3.25Å; A525-N529 PolarHBondContact O-N 3.16Å
526D76Confident71.7Confident113 Ų11352.5 Ų52.560%0.60429%0.289SS*.Hα-helixtrans-71-43.3-176.8-37.3-59.4000111.6T524 L528 N529 D530T524-D526 PolarHBondContact O-N 3.12Å; D526-L528 PolarHBondContact O-N 2.63Å; D526-N529 WeakPolarHBondContact O-CB 3.29Å; D526-N529 PolarHBondContact O-N 3.05Å; D526-D530 PolarHBondContact O-N 3.3Å
527T76.4Confident72.2Confident6 Ų647.6 Ų47.64%0.03726%0.259CS..Hα-helixtrans-70.3-31.3176.452.30000112.6N490 K494 T524 A531N490-T527 HydrophobicContact CB-CG2 4.36Å; N490-T527 WeakPolarHBondContact OD1-CG2 3.18Å; N490-T527 PolarHBondContact OD1-OG1 3.29Å; K494-T527 HydrophobicContact CG-CG2 4.38Å; T524-T527 PolarHBondContact N-OG1 3.35Å; T524-T527 PolarHBondContact O-N 3.26Å; T524-T527 PolarHBondContact O-OG1 2.86Å; T524-T527 VanDerWaalsContact O-OG1 3.11Å; T524-T527 PolarHBondContact OG1-N 3.17Å; T524-T527 PolarHBondContact OG1-OG1 2.69Å; T524-T527 VanDerWaalsContact OG1-OG1 3.12Å; T527-A531 WeakPolarHBondContact O-CB 3.39Å; T527-A531 PolarHBondContact O-N 3.04Å
528L75.6Confident72.9Confident8 Ų847.3 Ų47.34%0.04226%0.262CS..Hα-helixtrans-68.5-34.1170.4-70.1173.7000112L520 C523 T524 D526 L532 V542 A545 A546 V549L520-L528 HydrophobicContact CB-CD2 4.34Å; L520-L528 HydrophobicContact CD2-CD2 4.47Å; C523-L528 HydrophobicContact CB-CD1 4.34Å; C523-L528 HydrophobicContact CB-CD2 3.94Å; C523-L528 HydrophobicContact CB-CG 3.81Å; T524-L528 WeakPolarHBondContact O-CG 3.42Å; T524-L528 PolarHBondContact O-N 3.16Å; T524-L528 VanDerWaalsContact O-N 3.13Å; D526-L528 PolarHBondContact O-N 2.63Å; L528-L532 WeakPolarHBondContact O-CB 3.32Å; L528-L532 PolarHBondContact O-N 2.87Å; L528-L532 VanDerWaalsContact O-N 3.08Å; L528-V542 HydrophobicContact CB-CG1 4.46Å; L528-V542 HydrophobicContact CD2-CG1 4.44Å; L528-A545 HydrophobicContact CD1-CB 4.23Å; L528-A545 HydrophobicContact CD2-CB 4.1Å; L528-A546 HydrophobicContact CD1-CB 4.44Å; L528-V549 HydrophobicContact CD1-CG2 4.01Å
529N78.7Confident73.3Confident75 Ų7550.9 Ų50.940%0.40129%0.286SS..Hα-helixtrans-68.8-50173.4-172.581.4000111.3A525 D526 A531 L532 E533A525-N529 WeakPolarHBondContact O-CB 3.25Å; A525-N529 PolarHBondContact O-N 3.16Å; D526-N529 WeakPolarHBondContact O-CB 3.29Å; D526-N529 PolarHBondContact O-N 3.05Å; N529-A531 PolarHBondContact O-N 3.35Å; N529-L532 WeakPolarHBondContact O-CA 3.31Å; N529-L532 WeakPolarHBondContact O-CB 3.38Å; N529-L532 PolarHBondContact O-N 2.95Å; N529-E533 PolarHBondContact ND2-OE1 3.09Å; N529-E533 PolarHBondContact O-N 3.02Å
530D77.7Confident74Confident63 Ų6357.3 Ų57.334%0.33731%0.308SS..Hα-helixtrans-56.1-38.8174.9-72.3-7.2000112I497 D526 L532 L534I497-D530 HydrophobicContact CD1-CB 3.6Å; I497-D530 HydrophobicContact CG1-CB 4.5Å; D526-D530 PolarHBondContact O-N 3.3Å; D530-L532 VanDerWaalsContact C-N 3.35Å; D530-L534 WeakPolarHBondContact O-CB 3.42Å; D530-L534 WeakPolarHBondContact O-CD1 3.49Å; D530-L534 WeakPolarHBondContact O-CG 3.18Å; D530-L534 PolarHBondContact O-N 3.49Å
531A75.5Confident74.5Confident1 Ų159 Ų591%0.00832%0.319CS..Hα-helixtrans-72-26.9177.400000113.4V493 T527 N529 L536 F537V493-A531 HydrophobicContact CG1-CB 4.09Å; T527-A531 WeakPolarHBondContact O-CB 3.39Å; T527-A531 PolarHBondContact O-N 3.04Å; N529-A531 PolarHBondContact O-N 3.35Å; A531-L536 HydrophobicContact CB-CB 4.18Å; A531-L536 HydrophobicContact CB-CD1 4.14Å; A531-L536 HydrophobicContact CB-CG 4.49Å; A531-L536 WeakPolarHBondContact O-CB 3.5Å; A531-L536 PolarHBondContact O-N 2.86Å; A531-F537 HydrophobicContact CB-CD2 4.12Å; A531-F537 HydrophobicContact CB-CE2 4.31Å
532L76.5Confident75.1Confident79 Ų7955.8 Ų55.841%0.41430%0.302SS..Hα-helixtrans-76.8-42.6173-168.671.4000111.3L528 N529 D530 L534 D535 V542L528-L532 WeakPolarHBondContact O-CB 3.32Å; L528-L532 PolarHBondContact O-N 2.87Å; L528-L532 VanDerWaalsContact O-N 3.08Å; N529-L532 WeakPolarHBondContact O-CA 3.31Å; N529-L532 WeakPolarHBondContact O-CB 3.38Å; N529-L532 PolarHBondContact O-N 2.95Å; D530-L532 VanDerWaalsContact C-N 3.35Å; L532-L534 PolarHBondContact O-N 2.9Å; L532-D535 PolarHBondContact O-N 2.86Å; L532-V542 HydrophobicContact CB-CG1 4.26Å; L532-V542 HydrophobicContact CD1-CB 4.2Å; L532-V542 HydrophobicContact CD1-CG1 4.09Å
533E78.4Confident75.8Confident141 Ų14157.3 Ų57.366%0.65932%0.317SS*.Hα-helixtrans-63.6-20.8178.3-73.6-176.5-167.200113.6N529N529-E533 PolarHBondContact ND2-OE1 3.09Å; N529-E533 PolarHBondContact O-N 3.02Å
534L72.5Confident76.4Confident58 Ų5859.7 Ų59.730%0.30434%0.338SS..THydrogen-bonded Turntrans-110.111.5-178.7-64.8167.4000113.3I497 D530 L532 L536I497-L534 HydrophobicContact CB-CD1 4.3Å; I497-L534 HydrophobicContact CG1-CD1 4.1Å; I497-L534 HydrophobicContact CG2-CD1 3.72Å; D530-L534 WeakPolarHBondContact O-CB 3.42Å; D530-L534 WeakPolarHBondContact O-CD1 3.49Å; D530-L534 WeakPolarHBondContact O-CG 3.18Å; D530-L534 PolarHBondContact O-N 3.49Å; L532-L534 PolarHBondContact O-N 2.9Å; L534-L536 HydrophobicContact CB-CD1 4.41Å; L534-L536 HydrophobicContact CB-CD2 4.01Å; L534-L536 HydrophobicContact CB-CG 3.82Å; L534-L536 PolarHBondContact O-N 3.17Å; L534-L536 VanDerWaalsContact O-N 3.11Å
535D72.6Confident76.4Confident124 Ų12457 Ų5766%0.66332%0.322SS*.THydrogen-bonded Turntrans48.836.1-177.4-75.2-45.5000113.8L532 F537L532-D535 PolarHBondContact O-N 2.86Å; D535-F537 VanDerWaalsContact C-N 3.3Å; D535-F537 PolarHBondContact O-N 3.17Å
536L70.3Confident76.6Confident1 Ų157.1 Ų57.11%0.00532%0.322CS..  trans-72.2-20.8-174.1-62.6-173.3000113.6L496 I497 T500 R506 A531 L534L496-L536 HydrophobicContact CD2-CB 4.21Å; L496-L536 HydrophobicContact CD2-CD1 4.18Å; L496-L536 HydrophobicContact CG-CD1 4.17Å; L496-L536 HydrophobicContact CG-CD2 4.44Å; I497-L536 HydrophobicContact CB-CD1 4.32Å; I497-L536 HydrophobicContact CG1-CD1 3.42Å; I497-L536 VanDerWaalsContact CG1-CD1 3.42Å; T500-L536 HydrophobicContact CG2-CD2 3.89Å; T500-L536 WeakPolarHBondContact OG1-CD2 3.1Å; R506-L536 VanDerWaalsContact NH1-C 3.34Å; R506-L536 PolarHBondContact NH1-O 3.39Å; R506-L536 PolarHBondContact NH2-O 2.78Å; A531-L536 HydrophobicContact CB-CB 4.18Å; A531-L536 HydrophobicContact CB-CD1 4.14Å; A531-L536 HydrophobicContact CB-CG 4.49Å; A531-L536 WeakPolarHBondContact O-CB 3.5Å; A531-L536 PolarHBondContact O-N 2.86Å; L534-L536 HydrophobicContact CB-CD1 4.41Å; L534-L536 HydrophobicContact CB-CD2 4.01Å; L534-L536 HydrophobicContact CB-CG 3.82Å; L534-L536 PolarHBondContact O-N 3.17Å; L534-L536 VanDerWaalsContact O-N 3.11Å
537F72.6Confident76.8Confident6 Ų657.2 Ų57.23%0.02632%0.322CS..SBendtrans-145.5155.1179-59.4-70.1000110.1V493 L496 I514 I515 L520 A531 D535 V542V493-F537 HydrophobicContact CG2-CE2 4.25Å; L496-F537 HydrophobicContact CD2-CE1 4.02Å; L496-F537 HydrophobicContact CD2-CE2 4.05Å; L496-F537 HydrophobicContact CD2-CZ 3.48Å; L496-F537 VanDerWaalsContact CD2-CZ 3.48Å; I514-F537 HydrophobicContact CG2-CE1 4.08Å; I514-F537 HydrophobicContact CG2-CZ 4.41Å; I515-F537 HydrophobicContact CD1-CD1 4.01Å; I515-F537 HydrophobicContact CG1-CD1 3.44Å; I515-F537 VanDerWaalsContact CG1-CD1 3.44Å; I515-F537 HydrophobicContact CG1-CE1 3.85Å; L520-F537 HydrophobicContact CD1-CB 4.39Å; L520-F537 HydrophobicContact CD1-CD2 4.22Å; L520-F537 HydrophobicContact CD1-CG 4.13Å; L520-F537 HydrophobicContact CD2-CD2 3.88Å; L520-F537 HydrophobicContact CD2-CE2 3.62Å; L520-F537 HydrophobicContact CD2-CG 4.48Å; L520-F537 HydrophobicContact CD2-CZ 4Å; A531-F537 HydrophobicContact CB-CD2 4.12Å; A531-F537 HydrophobicContact CB-CE2 4.31Å; D535-F537 VanDerWaalsContact C-N 3.3Å; D535-F537 PolarHBondContact O-N 3.17Å; F537-V542 HydrophobicContact CB-CG2 3.65Å
538P76Confident76.9Confident52 Ų5262.4 Ų62.434%0.33834%0.342SS..  trans-49.2129.8175.8-28.735.1000111.3I515 K540 T541 V542I515-P538 VanDerWaalsContact CD1-CD 3.47Å; I515-P538 HydrophobicContact CD1-CG 4.03Å; P538-K540 PolarHBondContact O-N 3.49Å; P538-T541 HydrophobicContact CB-CG2 4.46Å; P538-T541 PolarHBondContact O-N 3.49Å; P538-T541 PolarHBondContact O-OG1 3.32Å; P538-V542 PolarHBondContact O-N 3.25Å
539P76.1Confident76.9Confident84 Ų8462.8 Ų62.855%0.54535%0.345SS..Hα-helixtrans-54.2-29.9-175.8-30.635.6000113.6A543P539-A543 WeakPolarHBondContact O-CB 3.49Å; P539-A543 PolarHBondContact O-N 3.09Å
540K80.3Confident76.9Confident181 Ų18161.4 Ų61.479%0.78734%0.344SS*.Hα-helixtrans-63.8-39174.6-171.2179.4179.5-1760113.6P538 A544P538-K540 PolarHBondContact O-N 3.49Å; K540-A544 WeakPolarHBondContact O-CB 3.49Å; K540-A544 PolarHBondContact O-N 2.84Å
541T79.5Confident76.9Confident50 Ų5062.4 Ų62.431%0.30735%0.349SS..Hα-helixtrans-77.2-38.417954.50000111.2P538 A544 A545P538-T541 HydrophobicContact CB-CG2 4.46Å; P538-T541 PolarHBondContact O-N 3.49Å; P538-T541 PolarHBondContact O-OG1 3.32Å; T541-A544 PolarHBondContact O-N 2.87Å; T541-A545 PolarHBondContact O-N 3.23Å
542V77.8Confident76.9Confident5 Ų566.2 Ų66.23%0.0337%0.365CS..Hα-helixtrans-63.2-45.7174.1-173.70000111L528 L532 F537 P538 A544 A545 A546L528-V542 HydrophobicContact CB-CG1 4.46Å; L528-V542 HydrophobicContact CD2-CG1 4.44Å; L532-V542 HydrophobicContact CB-CG1 4.26Å; L532-V542 HydrophobicContact CD1-CB 4.2Å; L532-V542 HydrophobicContact CD1-CG1 4.09Å; F537-V542 HydrophobicContact CB-CG2 3.65Å; P538-V542 PolarHBondContact O-N 3.25Å; V542-A544 VanDerWaalsContact C-N 3.34Å; V542-A544 PolarHBondContact O-N 3.21Å; V542-A545 PolarHBondContact O-N 2.9Å; V542-A546 WeakPolarHBondContact O-CB 3.24Å; V542-A546 PolarHBondContact O-N 3.44Å
543A80Confident76.5Confident52 Ų5268.5 Ų68.543%0.4337%0.372SS..Hα-helixtrans-61.8-39.4177.300000112.7P539 A546 L547P539-A543 WeakPolarHBondContact O-CB 3.49Å; P539-A543 PolarHBondContact O-N 3.09Å; A543-A546 PolarHBondContact O-N 3.43Å; A543-L547 WeakPolarHBondContact O-CG 3.37Å; A543-L547 PolarHBondContact O-N 2.82Å
544A79.5Confident76Confident56 Ų5667.3 Ų67.346%0.46337%0.366SS..Hα-helixtrans-63.8-44.9175.600000112.2K540 T541 V542 L547 Y548K540-A544 WeakPolarHBondContact O-CB 3.49Å; K540-A544 PolarHBondContact O-N 2.84Å; T541-A544 PolarHBondContact O-N 2.87Å; V542-A544 VanDerWaalsContact C-N 3.34Å; V542-A544 PolarHBondContact O-N 3.21Å; A544-L547 PolarHBondContact O-N 3.34Å; A544-Y548 PolarHBondContact O-N 3.24Å; A544-Y548 VanDerWaalsContact O-N 3.11Å
545A75.9Confident75.4Confident1 Ų171 Ų711%0.00838%0.382CS..Hα-helixtrans-64.4-42.7175.700000112.3L520 L528 T541 V542 L547 Y548 V549L520-A545 HydrophobicContact CB-CB 3.64Å; L528-A545 HydrophobicContact CD1-CB 4.23Å; L528-A545 HydrophobicContact CD2-CB 4.1Å; T541-A545 PolarHBondContact O-N 3.23Å; V542-A545 PolarHBondContact O-N 2.9Å; A545-L547 PolarHBondContact O-N 3.21Å; A545-Y548 WeakPolarHBondContact O-CB 3.5Å; A545-Y548 PolarHBondContact O-N 3.14Å; A545-Y548 VanDerWaalsContact O-N 3.15Å; A545-V549 WeakPolarHBondContact O-CG2 3.37Å; A545-V549 PolarHBondContact O-N 2.98Å
546A80.6Confident74.7Confident44 Ų4469.9 Ų69.936%0.36438%0.376SS..Hα-helixtrans-61.8-40.9177.600000112.4L528 V542 A543 V549 A550L528-A546 HydrophobicContact CD1-CB 4.44Å; V542-A546 WeakPolarHBondContact O-CB 3.24Å; V542-A546 PolarHBondContact O-N 3.44Å; A543-A546 PolarHBondContact O-N 3.43Å; A546-V549 PolarHBondContact O-N 3.34Å; A546-A550 WeakPolarHBondContact O-CB 3.34Å; A546-A550 PolarHBondContact O-N 3.34Å
547L80.3Confident74Confident115 Ų11573 Ų7360%0.60240%0.398SS*.Hα-helixtrans-62.2-42.2172.7-74.7168.8000111.9A543 A544 A545 A550 N551A543-L547 WeakPolarHBondContact O-CG 3.37Å; A543-L547 PolarHBondContact O-N 2.82Å; A544-L547 PolarHBondContact O-N 3.34Å; A545-L547 PolarHBondContact O-N 3.21Å; L547-A550 PolarHBondContact O-N 3.02Å; L547-N551 VanDerWaalsContact O-CG 3.26Å; L547-N551 PolarHBondContact O-N 3.03Å
548Y79.1Confident73Confident114 Ų11477.6 Ų77.645%0.44742%0.422SS..Hα-helixtrans-63.3-45.7176.8-174.8-97.5000112.2N521 A544 A545 A550 N551 K552N521-Y548 HydrophobicContact CB-CD1 3.64Å; N521-Y548 HydrophobicContact CB-CE1 3.88Å; N521-Y548 HydrophobicContact CB-CG 4.34Å; N521-Y548 WeakPolarHBondContact O-CD1 3.2Å; A544-Y548 PolarHBondContact O-N 3.24Å; A544-Y548 VanDerWaalsContact O-N 3.11Å; A545-Y548 WeakPolarHBondContact O-CB 3.5Å; A545-Y548 PolarHBondContact O-N 3.14Å; A545-Y548 VanDerWaalsContact O-N 3.15Å; Y548-A550 VanDerWaalsContact C-N 3.33Å; Y548-A550 PolarHBondContact O-N 3.29Å; Y548-N551 PolarHBondContact O-N 3.42Å; Y548-K552 HydrophobicContact CE1-CD 4.34Å; Y548-K552 WeakPolarHBondContact O-CB 3.48Å; Y548-K552 PolarHBondContact O-N 2.98Å
549V75.7Confident71.5Confident17 Ų1778.6 Ų78.610%0.10343%0.43CS..Hα-helixtrans-63.2-38.1176.3172.80000111.6C523 L528 A545 A546 K553C523-V549 WeakPolarHBondContact O-CG2 3.22Å; L528-V549 HydrophobicContact CD1-CG2 4.01Å; A545-V549 WeakPolarHBondContact O-CG2 3.37Å; A545-V549 PolarHBondContact O-N 2.98Å; A546-V549 PolarHBondContact O-N 3.34Å; V549-K553 WeakPolarHBondContact O-CG 3.38Å; V549-K553 PolarHBondContact O-N 2.65Å; V549-K553 VanDerWaalsContact O-N 3.14Å
550A79Confident69.8Low46 Ų4680.4 Ų80.438%0.3844%0.44SS..Hα-helixtrans-64.5-46.6175.100000112.1A546 L547 Y548 K553 Q554A546-A550 WeakPolarHBondContact O-CB 3.34Å; A546-A550 PolarHBondContact O-N 3.34Å; L547-A550 PolarHBondContact O-N 3.02Å; Y548-A550 VanDerWaalsContact C-N 3.33Å; Y548-A550 PolarHBondContact O-N 3.29Å; A550-K553 PolarHBondContact O-N 3.46Å; A550-Q554 PolarHBondContact O-N 2.79Å; A550-Q554 VanDerWaalsContact O-N 3.09Å
551N77.4Confident67.8Low84 Ų8475.4 Ų75.445%0.44943%0.428SS..Hα-helixtrans-63.5-44177.9-69-10.6000111.8L547 Y548 K553 Q554 E555L547-N551 VanDerWaalsContact O-CG 3.26Å; L547-N551 PolarHBondContact O-N 3.03Å; Y548-N551 PolarHBondContact O-N 3.42Å; N551-K553 VanDerWaalsContact C-N 3.27Å; N551-K553 PolarHBondContact O-N 2.98Å; N551-Q554 WeakPolarHBondContact O-CA 3.44Å; N551-Q554 WeakPolarHBondContact O-CB 3.14Å; N551-Q554 PolarHBondContact O-N 2.7Å; N551-E555 PolarHBondContact O-N 3.45Å
552K74.5Confident65.5Low80 Ų8079.1 Ų79.135%0.34845%0.446SS..Hα-helixtrans-61.4-33.5177.1-168.5176.2-175.91790112.7Y548 N556Y548-K552 HydrophobicContact CE1-CD 4.34Å; Y548-K552 WeakPolarHBondContact O-CB 3.48Å; Y548-K552 PolarHBondContact O-N 2.98Å; K552-N556 PolarHBondContact O-N 3.41Å; K552-N556 PolarHBondContact O-ND2 2.79Å
553K69.1Low63.3Low128 Ų12886.4 Ų86.456%0.55748%0.484SS*.Hα-helixtrans-68.1-39.8170.9-76.2-179.4178.8-176.60111.9V549 A550 N551 S557V549-K553 WeakPolarHBondContact O-CG 3.38Å; V549-K553 PolarHBondContact O-N 2.65Å; V549-K553 VanDerWaalsContact O-N 3.14Å; A550-K553 PolarHBondContact O-N 3.46Å; N551-K553 VanDerWaalsContact C-N 3.27Å; N551-K553 PolarHBondContact O-N 2.98Å; K553-S557 PolarHBondContact O-N 3.24Å; K553-S557 PolarHBondContact O-OG 3.39Å
554Q66.8Low61.3Low115 Ų11591.8 Ų91.854%0.53751%0.505SS..Hα-helixtrans-64.3-48.3176-71-1760.500111.8A550 N551 N556 S557 I558A550-Q554 PolarHBondContact O-N 2.79Å; A550-Q554 VanDerWaalsContact O-N 3.09Å; N551-Q554 WeakPolarHBondContact O-CA 3.44Å; N551-Q554 WeakPolarHBondContact O-CB 3.14Å; N551-Q554 PolarHBondContact O-N 2.7Å; Q554-N556 PolarHBondContact O-N 3.05Å; Q554-S557 WeakPolarHBondContact CA-OG 3.26Å; Q554-S557 PolarHBondContact O-N 3.35Å; Q554-S557 PolarHBondContact O-OG 3.23Å; Q554-I558 VanDerWaalsContact O-CG1 3.31Å; Q554-I558 WeakPolarHBondContact O-CG1 3.02Å; Q554-I558 PolarHBondContact O-N 3.36Å
555E60.5Low59Low135 Ų13597.9 Ų97.963%0.63152%0.524SS*.Hα-helixtrans-56.7-46.1179.3-70.8179.716100112.4N551 S557 I558 S559N551-E555 PolarHBondContact O-N 3.45Å; E555-S557 VanDerWaalsContact C-N 3.3Å; E555-S557 PolarHBondContact O-N 2.93Å; E555-I558 PolarHBondContact O-N 3.49Å; E555-I558 VanDerWaalsContact O-N 3.15Å; E555-S559 PolarHBondContact O-N 3.14Å; E555-S559 PolarHBondContact O-OG 2.84Å; E555-S559 VanDerWaalsContact O-OG 3.09Å
556N57.4Low57.1Low101 Ų101108.5 Ų108.554%0.5457%0.566SS.*Hα-helixtrans-61.9-34.8176-76.5-21.7000113.1K552 Q554 S559 T560K552-N556 PolarHBondContact O-N 3.41Å; K552-N556 PolarHBondContact O-ND2 2.79Å; Q554-N556 PolarHBondContact O-N 3.05Å; N556-S559 WeakPolarHBondContact CA-OG 3.36Å; N556-S559 PolarHBondContact O-OG 2.71Å; N556-S559 VanDerWaalsContact O-OG 3.12Å; N556-T560 PolarHBondContact O-N 2.71Å; N556-T560 PolarHBondContact O-OG1 3.45Å
557S55.7Low55.1Low66 Ų66111.7 Ų111.746%0.46258%0.583SS.*Hα-helixtrans-74-28.9175.571.20000113.4K553 Q554 E555 T560 S561K553-S557 PolarHBondContact O-N 3.24Å; K553-S557 PolarHBondContact O-OG 3.39Å; Q554-S557 WeakPolarHBondContact CA-OG 3.26Å; Q554-S557 PolarHBondContact O-N 3.35Å; Q554-S557 PolarHBondContact O-OG 3.23Å; E555-S557 VanDerWaalsContact C-N 3.3Å; E555-S557 PolarHBondContact O-N 2.93Å; S557-T560 PolarHBondContact O-OG1 2.82Å; S557-S561 WeakPolarHBondContact O-CB 3.43Å; S557-S561 PolarHBondContact O-OG 3.15Å
558I51.5Low52.8Low103 Ų103116.7 Ų116.753%0.52860%0.595SS.*Hα-helixtrans-77.4-40176.9-65.8160.9000110.3Q554 E555 T560 S561Q554-I558 VanDerWaalsContact O-CG1 3.31Å; Q554-I558 WeakPolarHBondContact O-CG1 3.02Å; Q554-I558 PolarHBondContact O-N 3.36Å; E555-I558 PolarHBondContact O-N 3.49Å; E555-I558 VanDerWaalsContact O-N 3.15Å; I558-T560 VanDerWaalsContact C-N 3.28Å; I558-T560 PolarHBondContact O-N 3.13Å; I558-S561 PolarHBondContact O-N 3.3Å; I558-S561 PolarHBondContact O-OG 3.11Å
559S45.2Very low50.7Low74 Ų74116.9 Ų116.952%0.51761%0.608SS.*Hα-helixtrans-69-22.1178.751.40000114.5E555 N556E555-S559 PolarHBondContact O-N 3.14Å; E555-S559 PolarHBondContact O-OG 2.84Å; E555-S559 VanDerWaalsContact O-OG 3.09Å; N556-S559 WeakPolarHBondContact CA-OG 3.36Å; N556-S559 PolarHBondContact O-OG 2.71Å; N556-S559 VanDerWaalsContact O-OG 3.12Å
560T40.5Very low48.8Very low122 Ų122127.3 Ų127.375%0.74865%0.646SS**THydrogen-bonded Turntrans-94.9-3.9177.746.30000114N556 S557 I558N556-T560 PolarHBondContact O-N 2.71Å; N556-T560 PolarHBondContact O-OG1 3.45Å; S557-T560 PolarHBondContact O-OG1 2.82Å; I558-T560 VanDerWaalsContact C-N 3.28Å; I558-T560 PolarHBondContact O-N 3.13Å
561S38.1Very low46.8Very low76 Ų76133.1 Ų133.153%0.53167%0.67SS.*  trans-114.921.3-178.154.80000114.4S557 I558 N563S557-S561 WeakPolarHBondContact O-CB 3.43Å; S557-S561 PolarHBondContact O-OG 3.15Å; I558-S561 PolarHBondContact O-N 3.3Å; I558-S561 PolarHBondContact O-OG 3.11Å; S561-N563 PolarHBondContact O-N 3Å
562N31.6Very low44.8Very low128 Ų128134 Ų13468%0.68468%0.68SS**  trans-72.157.4169.3-80.9-32.2000112.6
563N31.8Very low42.9Very low157 Ų157136.1 Ų136.184%0.8470%0.7SS**SBendtrans-177.571.6164-92-38.7000110.5S561S561-N563 PolarHBondContact O-N 3Å
564L36.2Very low41.5Very low166 Ų166140.6 Ų140.687%0.86971%0.714SS**  trans-165131.3153.4-105.9144.1000110.9
565E33.2Very low40.2Very low184 Ų184145.3 Ų145.386%0.8673%0.729SS**PPolyproline II helixtrans-56.6139.9176.7-76.2164111.200112.2P567E565-P567 VanDerWaalsContact O-CD 3.31Å; E565-P567 WeakPolarHBondContact O-CD 3.31Å
566Y34.6Very low39.2Very low224 Ų224145 Ų14588%0.87874%0.737SS**PPolyproline II helixtrans-80.4119.3165.1-86.9-93.2000110.5
567P38.1Very low38.1Very low111 Ų111149.1 Ų149.172%0.72175%0.75SS**PPolyproline II helixtrans-83.9136.5151.3910.6000109.1E565E565-P567 VanDerWaalsContact O-CD 3.31Å; E565-P567 WeakPolarHBondContact O-CD 3.31Å
568Y33.7Very low37.3Very low220 Ų220152 Ų15286%0.86377%0.766SS**PPolyproline II helixtrans-64.5164.1166.1-83.9-107.2000111
569T34.3Very low36.7Very low118 Ų118155.6 Ų155.672%0.72479%0.786SS**  trans74.7133.7-167.276.90000111.5
570W35.3Very low36.3Very low236 Ų236160.7 Ų160.789%0.89480%0.804SS**  cis-137.5140.928.6-72.758.5000112.3
571L36.7Very low36.3Very low168 Ų168162.8 Ų162.888%0.8881%0.81SS**  trans-111.2116.6166.2-92.8166000109.4T573L571-T573 PolarHBondContact O-N 2.76Å
572P36.7Very low36.3Very low103 Ų103164.7 Ų164.767%0.66982%0.82SS**  trans-73.5112.8172.3-16.931.7000111.2Y574P572-Y574 HydrophobicContact CB-CD2 4.43Å; P572-Y574 HydrophobicContact CB-CE2 4.27Å; P572-Y574 PolarHBondContact O-N 2.97Å
573T33.6Very low36.5Very low124 Ų124167 Ų16776%0.76183%0.829SS**  trans-75.7106.9174.249.30000111.4L571L571-T573 PolarHBondContact O-N 2.76Å
574Y39.7Very low36.8Very low221 Ų221171.6 Ų171.687%0.86783%0.834SS**  trans-108.197.6162-76.4-77000110.5P572P572-Y574 HydrophobicContact CB-CD2 4.43Å; P572-Y574 HydrophobicContact CB-CE2 4.27Å; P572-Y574 PolarHBondContact O-N 2.97Å
575Y39Very low36.9Very low214 Ų214167.6 Ų167.684%0.83983%0.833SS**  trans-68.5136.2167.3-104.9-99000110.4
576T39.8Very low37Very low129 Ų129170.7 Ų170.779%0.79184%0.837SS**  trans-165.3119130.214.40000113
577K35.5Very low37.3Very low188 Ų188165.5 Ų165.582%0.81783%0.831SS**  trans56.7106.3152-62.3176.9178.4176.70120.4
578P38Very low37.2Very low125 Ų125171.4 Ų171.481%0.81284%0.839SS**PPolyproline II helixtrans-85142.8137.2-1.220.9000110.5
579L40.3Very low37.3Very low179 Ų179166 Ų16694%0.93783%0.832SS**PPolyproline II helixtrans-74.1132.9175.9-82.6157.7000111.7
580M35Very low37.5Very low182 Ų182165.6 Ų165.690%0.89783%0.829SS**PPolyproline II helixtrans-79.3130.6174.1-72.8-83.1-173.100111.3
581L41.2Very low37.4Very low166 Ų166160.1 Ų160.187%0.86982%0.818SS**  trans-125.8134.5158.9-77.5172.2000109
582P39Very low37.4Very low115 Ų115160.8 Ų160.875%0.74782%0.816SS**  trans-93.5131.9-163.534.1-35.1000115.6
583M34.6Very low37.2Very low176 Ų176163.2 Ų163.287%0.86782%0.823SS**  trans41.8111.4133.6-63.8-72.2-178.600120.1
584R39.3Very low37.3Very low255 Ų255167.8 Ų167.896%0.96283%0.827SS**  174.2125.4113.1-96.7172178-166.10.9112.9
585G37.2Very low37Very low82 Ų82161.2 Ų161.285%0.84581%0.814SS**  trans167.3122.2169.100000110.9
586R35.7Very low36.7Very low248 Ų248157.7 Ų157.794%0.93681%0.81SS**  trans-85.6152.1-168.9-76.8-175.3175-169.6-0.4113.9
587P40.2Very low36.6Very low116 Ų116156.6 Ų156.675%0.75381%0.807SS**  trans-97.1168.5173.439.5-35.7000113.3
588R37.4Very low36.7Very low234 Ų234154.9 Ų154.988%0.88380%0.802SS**  trans-176.2143.6143.6-106.7166.9-166.2-152.60.8114
589C35.8Very low36.7Very low107 Ų107158.6 Ų158.672%0.72380%0.801SS**  trans66.9139.3146.3-70.10000120.5
590T37.2Very low36.3Very low109 Ų109155.5 Ų155.567%0.66979%0.794SS**  cis-164.6167-243.60000111.5
591D33.4Very low36.3Very low121 Ų121156.9 Ų156.965%0.64779%0.79SS**  trans30.4127147.8-48.3-28.9000121.8
592H37.6Very low36Very low183 Ų183154.4 Ų154.485%0.84779%0.786SS**  -175.2166.591.9-90.5-60.8000113.6
593L31.9Very low35.7Very low154 Ų154155.5 Ų155.581%0.80678%0.779SS**  trans-100.5-169.9-164.7-75.2154000113.9
594Y35.8Very low35.8Very low219 Ų219158.1 Ų158.186%0.85978%0.781SS**  trans93.4108.6174.3-61.5-77.3000114.7
595S33.8Very low35.8Very low83 Ų83150.4 Ų150.458%0.5876%0.764SS**  cis97.4134.925.887.90000116
596N33Very low35.7Very low141 Ų141151.3 Ų151.375%0.75476%0.758SS**  trans97.7139151.3-66.6-14.3000121.7
597S37.6Very low35.7Very low106 Ų106149.4 Ų149.474%0.74175%0.752SS**  trans83.5142.7146.676.60000119.5
598H37.7Very low35.5Very low151 Ų151150.8 Ų150.870%0.69975%0.753SS**  cis-173.6161.5-23.2-113-68.3000110.2
599Y36.5Very low35.3Very low204 Ų204148.4 Ų148.480%0.875%0.749SS**  trans66.2158.2161.1-65.5-67.7000119.6
600S33.4Very low35.3Very low114 Ų114149 Ų14980%0.79776%0.755SS**  cis-171.2167.4-43.6-107.70000112.3
601R33.3Very low35.1Very low211 Ų211154.9 Ų154.980%0.79677%0.765SS**  trans-77.3158-175-64.7161.8158.6-173.6-5117.2F603R601-F603 HydrophobicContact CB-CD2 4.22Å; R601-F603 HydrophobicContact CG-CD2 4.49Å
602S36.1Very low35.1Very low114 Ų114154.2 Ų154.280%0.79777%0.769SS**  trans-154.2127.7130.751.70000107.4
603F33Very low34.9Very low137 Ų137150.4 Ų150.460%0.60176%0.763SS**  cis64.7110.642.7-85-81000115.7R601R601-F603 HydrophobicContact CB-CD2 4.22Å; R601-F603 HydrophobicContact CG-CD2 4.49Å
604Y35.9Very low34.9Very low231 Ų231147.7 Ų147.791%0.90676%0.757SS**  -167.2138.2109.7-103-74.9000112.1
605P39Very low34.9Very low94 Ų94145.2 Ų145.261%0.6176%0.758SS**  trans-112.9178.2174.641.4-33.6000113.1
606S35.5Very low34.8Very low101 Ų101148 Ų14871%0.70677%0.766SS**  trans170131.9135.7-78.90000116.1
607Y36.2Very low34.7Very low207 Ų207153 Ų15381%0.81278%0.775SS**  trans41.4152.2133-64.2-88.7000121.9
608D35.6Very low34.3Very low146 Ų146154.5 Ų154.578%0.78177%0.774SS**  cis-157.6-179.631.7-141.3-24.5000116.3
609K33.6Very low34Very low183 Ų183155.7 Ų155.780%0.79679%0.785SS**  trans-108.2152.6-172.5-66.5169.4175169.20115.7
610S35.6Very low33.6Very low121 Ų121154.2 Ų154.285%0.84679%0.785SS**  trans-178.1134.3138.719.60000108.8
611R32.5Very low33.5Very low232 Ų232153.7 Ų153.788%0.87578%0.782SS**  cis102.2127.616.7-155.7-175.4-160.1-162.65.8114.2
612S32.8Very low33.1Very low107 Ų107150.6 Ų150.675%0.74878%0.776SS**  trans72.2149.81709.30000116.5
613S34.9Very low32.9Very low102 Ų102156 Ų15671%0.71378%0.781SS**  cis-168.9146.4-2.342.20000112.8
614S31.6Very low32.7Very low98 Ų98156.4 Ų156.469%0.68578%0.782SS**  trans34.5130.8145.164.40000122.3
615L35Very low32.3Very low166 Ų166155.2 Ų155.287%0.86978%0.778SS**  -176.9148.5101.9-97.8165.4000113.5
616N31.1Very low31.8Very low142 Ų142158.1 Ų158.176%0.75979%0.788SS**  trans-69.3153.1177.1-64.5-39.3000113.1
617R32.9Very low31.3Very low247 Ų247156.2 Ų156.293%0.93279%0.785SS**  -166.1141.8117.1-104.2165.9-160.3-160.14.9113.2
618N28.4Very low31Very low136 Ų136156.6 Ų156.673%0.72779%0.791SS**  trans-74.5157.9-179.8-50.2-18.5000111.5
619L31.7Very low30.6Very low176 Ų176157.9 Ų157.992%0.92179%0.792SS**  trans-157.5116.2130.8-112.7149.2000110.3
620E26.7Very low30.5Very low173 Ų173153.2 Ų153.281%0.80878%0.78SS**  trans-78.4151.1170-61.8158.8129.200109.7
621S31.4Very low30.3Very low103 Ų103158.8 Ų158.872%0.7278%0.784SS**  trans-152.894.1150.447.80000111.2
622E26.4Very low29.9Very low146 Ų146155.2 Ų155.268%0.68278%0.781SS**  trans-59.8140.6149.8-75-172.211300109K624E622-K624 IonicContact OE1-NZ 2.99Å; E622-K624 PolarHBondContact OE1-NZ 3.43Å
623Y32.2Very low29.8Very low227 Ų227157.6 Ų157.689%0.8979%0.785SS**  trans-128.794.6153.5-91.1-77.1000110.2
624K26.9Very low29.3Very low146 Ų146157.6 Ų157.664%0.63579%0.785SS**  trans-89.3151.3165.4-98.9173.9-172.5129.60109.7E622E622-K624 IonicContact OE1-NZ 2.99Å; E622-K624 PolarHBondContact OE1-NZ 3.43Å
625Y27.6Very low29.1Very low207 Ų207163.4 Ų163.481%0.81279%0.794SS**  trans58.7119.7157.2-85-106.4000116.6
626N28.5Very low28.6Very low154 Ų154159.2 Ų159.282%0.82478%0.778SS**  -168.716079.7-91.1-48.8000113.7
627G26.1Very low28.3Very low62 Ų62158.4 Ų158.464%0.63978%0.784SS**  trans-48.1164.8-172.400000119.9
628F28.8Very low27.9Very low214 Ų214155.1 Ų155.194%0.93978%0.777SS**  -163.298.3122.4-99.2-69.4000111.3
629H28.8Very low27.7Very low174 Ų174156.7 Ų156.781%0.80678%0.78SS**  trans-77.1164.2139.8-116.6-86.8000107.1
630P29.8Very low27.3Very low84 Ų84153.9 Ų153.955%0.54577%0.772SS.*  cis-132.2163.8-2.340.5-25.4000114.3
631Y31.4Very low27.3Very low238 Ų238156.2 Ų156.293%0.93377%0.774SS**  trans-102.670155.2-75.3-71.7000110.8
632L25.9Very low27.3Very low157 Ų157155.2 Ų155.282%0.82277%0.766SS**  trans-9787.7156.4-86173.1000108
633L29.7Very low27.8Very low158 Ų158152.4 Ų152.483%0.82776%0.755SS**  trans-131.8106.3160.6-80.8177000109
634S25.1Very low27.9Very low102 Ų102145.4 Ų145.471%0.71373%0.731SS**  trans-52.4131.8163.250.30000111.1
635Y26.3Very low28.5Very low220 Ų220144.4 Ų144.486%0.86373%0.727SS**  trans-158.8135.1140.6-103.2-68.6000111.8
636S25.1Very low29Very low78 Ų78143 Ų14355%0.54572%0.72SS.*  trans44.5112.3167.958.40000119F638S636-F638 PolarHBondContact O-N 2.79Å
637S23.7Very low29.6Very low125 Ų125138.5 Ų138.587%0.87469%0.692SS**  trans-47.6100.6148.551.10000112
638F24.6Very low30.2Very low178 Ų178139.2 Ų139.278%0.78168%0.681SS**PPolyproline II helixtrans-93.8116.5157-90.7-91.3000108.1S636S636-F638 PolarHBondContact O-N 2.79Å
639Q24.3Very low30.4Very low169 Ų169131.7 Ų131.779%0.7966%0.655SS**PPolyproline II helixtrans-62.8133171.1-64.5177.4-8900108.3Y641Q639-Y641 PolarHBondContact O-N 3.18Å; Q639-Y641 VanDerWaalsContact O-N 3.15Å
640P25.1Very low30.4Very low116 Ų116129.7 Ų129.775%0.75365%0.65SS**PPolyproline II helixtrans-63.6117.6159.628.1-30.3000106.3P642P640-P642 WeakPolarHBondContact O-CD 3.49Å; P640-P642 VanDerWaalsContact O-N 3.14Å
641Y25.9Very low30.3Very low222 Ų222130.4 Ų130.487%0.87166%0.663SS**  trans-59.6115.7170.8-88.7-88.9000107.8Q639 N643Q639-Y641 PolarHBondContact O-N 3.18Å; Q639-Y641 VanDerWaalsContact O-N 3.15Å; Y641-N643 PolarHBondContact O-N 3.22Å
642P31.6Very low30.2Very low83 Ų83124.3 Ų124.354%0.53966%0.655SS.*  trans-71.4134.3170.5-9.127000107.3P640 E644P640-P642 WeakPolarHBondContact O-CD 3.49Å; P640-P642 VanDerWaalsContact O-N 3.14Å; P642-E644 HydrophobicContact CB-CB 3.92Å; P642-E644 HydrophobicContact CB-CG 3.62Å; P642-E644 PolarHBondContact O-N 3.18Å
643N36.4Very low30.2Very low86 Ų86125.4 Ų125.446%0.4666%0.662SS.*  trans-72.743.6160.8-92.4-29.7000110.8D117 Y641 F645D117-N643 PolarHBondContact OD2-ND2 3.09Å; Y641-N643 PolarHBondContact O-N 3.22Å; N643-F645 PolarHBondContact O-N 3.05Å
644E34Very low30.2Very low80 Ų80126 Ų12637%0.37466%0.662SS.*  trans-88.196.9172.1-72.3-171.1151.800109N73 P642 R646N73-E644 PolarHBondContact ND2-OE1 3.09Å; N73-E644 WeakPolarHBondContact OD1-CG 3.45Å; P642-E644 HydrophobicContact CB-CB 3.92Å; P642-E644 HydrophobicContact CB-CG 3.62Å; P642-E644 PolarHBondContact O-N 3.18Å; E644-R646 PolarHBondContact O-N 3.32Å
645F40.7Very low30.2Very low125 Ų125131.1 Ų131.155%0.54867%0.672SS.*EExtended strand (participates in β ladder)trans-75.891170.7-84-87.7000109.9F104 N643 Y647F104-F645 HydrophobicContact CD2-CB 4.02Å; F104-F645 AromaticContact CD2-CD2 3.79Å; F104-F645 HydrophobicContact CD2-CD2 3.79Å; F104-F645 HydrophobicContact CD2-CG 4.22Å; F104-F645 HydrophobicContact CE2-CB 4.12Å; F104-F645 AromaticContact CE2-CD2 3.73Å; F104-F645 HydrophobicContact CE2-CD2 3.73Å; F104-F645 HydrophobicContact CE2-CG 4.37Å; N643-F645 PolarHBondContact O-N 3.05Å; F645-Y647 PolarHBondContact O-N 3.21Å
646R36.4Very low30.5Very low177 Ų177130.3 Ų130.367%0.66867%0.673SS**EExtended strand (participates in β ladder)trans-68.7106.4165.3-64.4-170.9-172.9-171.42.9109.4E644E644-R646 PolarHBondContact O-N 3.32Å
647Y42.6Very low30.7Very low61 Ų61131.4 Ų131.424%0.23968%0.681CS.*EExtended strand (participates in β ladder)trans-86.9120.6177.5-141.9-92.3000110.4D95 I100 R103 F645D95-Y647 PolarHBondContact OD1-OH 3.42Å; I100-Y647 HydrophobicContact CD1-CD1 3.64Å; I100-Y647 HydrophobicContact CD1-CD2 4.44Å; I100-Y647 HydrophobicContact CD1-CE1 3.48Å; I100-Y647 VanDerWaalsContact CD1-CE1 3.48Å; I100-Y647 HydrophobicContact CD1-CE2 4.32Å; I100-Y647 HydrophobicContact CD1-CG 4.12Å; I100-Y647 HydrophobicContact CG1-CD1 4.38Å; I100-Y647 HydrophobicContact CG1-CD2 4.43Å; I100-Y647 HydrophobicContact CG1-CE1 3.95Å; I100-Y647 HydrophobicContact CG1-CE2 4.02Å; I100-Y647 HydrophobicContact CG2-CD2 3.67Å; I100-Y647 HydrophobicContact CG2-CE2 3.88Å; I100-Y647 HydrophobicContact CG2-CG 4.08Å; R103-Y647 PolarHBondContact NH1-OH 3.47Å; F645-Y647 PolarHBondContact O-N 3.21Å
648N37.1Very low31Very low76 Ų76133.3 Ų133.341%0.40668%0.681SS.*  trans-110.2111.8-179.1-156.1-24.3000111E71 N650E71-N648 PolarHBondContact OE1-ND2 2.82Å; N648-N650 VanDerWaalsContact C-N 3.34Å; N648-N650 PolarHBondContact O-N 2.92Å; N648-N650 PolarHBondContact OD1-ND2 3.37Å
649S33.6Very low31.4Very low56 Ų56129.5 Ų129.539%0.39268%0.675SS.*  trans-8567.7-175.464.20000112.7
650N28.6Very low31.8Very low133 Ų133130 Ų13071%0.71167%0.674SS**  trans-108.867.4177.9-79.1-28.3000112.4N648N648-N650 VanDerWaalsContact C-N 3.34Å; N648-N650 PolarHBondContact O-N 2.92Å; N648-N650 PolarHBondContact OD1-ND2 3.37Å
651A27.7Very low32.1Very low99 Ų99131.4 Ų131.482%0.81868%0.676SS**  trans-153.764.5176.700000114
652S30.1Very low32.6Very low110 Ų110126.6 Ų126.677%0.76967%0.665SS**  trans-156.856.3167.164.70000114.3M654S652-M654 VanDerWaalsContact C-N 3.32Å
653N26.4Very low32.7Very low180 Ų180129.9 Ų129.996%0.96368%0.678SS**  trans-96.260.1157.2-106.8-12000109.3
654M28.5Very low32.7Very low169 Ų169135.1 Ų135.183%0.83369%0.693SS**  trans-115.1118.4170.1-74.3-17277.800109.7S652 F656S652-M654 VanDerWaalsContact C-N 3.32Å; M654-F656 PolarHBondContact O-N 3.21Å
655K26.3Very low32.8Very low211 Ų211138.9 Ų138.992%0.91772%0.715SS**  trans-62.2113.6175.7-62.1171.2179176.80108.9
656F30.8Very low32.7Very low202 Ų202138.5 Ų138.589%0.88673%0.728SS**  trans-88114160-99.3-88.7000108.6M654M654-F656 PolarHBondContact O-N 3.21Å
657S30.8Very low32.7Very low101 Ų101139.4 Ų139.471%0.70674%0.736SS**  trans-80.2137.8161.836.50000109.4
658D28.9Very low32.5Very low165 Ų165142.7 Ų142.788%0.88277%0.765SS**  trans-55.2147.3178.7-63.5-60.2000112.8
659P32.6Very low32.4Very low99 Ų99147.7 Ų147.764%0.64379%0.788SS**  -141.1160.1128.537.8-24.8000115
660F34Very low32.9Very low179 Ų179149.8 Ų149.879%0.78581%0.808SS**  trans77.984.2168.5-57.3-71.8000119
661N31.1Very low33.5Very low145 Ų145152.5 Ų152.578%0.77581%0.814SS**  trans-83.1114.3145.5-173.22.5000108.7
662N35.4Very low34.1Very low122 Ų122154 Ų15465%0.65281%0.808SS**  trans-137.385.2-177-127.7-3000109.6
663N34.6Very low34.6Very low152 Ų152159.9 Ų159.981%0.81381%0.814SS**  trans-87.9116.4175.2-87.3-21.6000111
664Y36.1Very low35.8Very low196 Ų196154.2 Ų154.277%0.76980%0.798SS**  trans-108.6152.6166.6-97.3-90.5000110.4
665L36.8Very low36.7Very low159 Ų159160.3 Ų160.383%0.83282%0.82SS**  trans69.9110.4167.8-58.1149.4000114.9
666S39Very low37.3Very low117 Ų117157.8 Ų157.882%0.81882%0.815SS**  -172.8155.757.1-680000113
667K36.4Very low37.6Very low196 Ų196155.5 Ų155.585%0.85281%0.812SS**  trans-68.7163.8175.7-99.2174.5-175.5174.80112.7
668P38.1Very low38Very low129 Ų129158.5 Ų158.584%0.83882%0.818SS**  -146.5-176.551.840.5-18.4000119.6
669M34.9Very low38.5Very low182 Ų182158.1 Ų158.190%0.89781%0.814SS**  trans-61144.8-163.7-54.6161.279.200118.1
670A42.7Very low38.9Very low99 Ų99161.8 Ų161.882%0.81882%0.824SS**  trans-162.1104.8131.400000114.6
671K41.7Very low39.2Very low190 Ų190160.7 Ų160.783%0.82683%0.827SS**  trans34.5129.1145.1-67176.3176.4173.70123.1
672N40.7Very low39.8Very low131 Ų131161.8 Ų161.870%0.70183%0.831SS**  trans63.4147.3136.2-69.2-10.8000118.8
673R41Very low40.1Very low233 Ų233164.8 Ų164.888%0.87984%0.844SS**  cis-160.8158.7-7.3-91.7158.5-176.2-175.5-0.7103.2
674G51.8Low40.6Very low61 Ų61165.9 Ų165.963%0.62985%0.847SS**  cis174.3-169.34.100000108.6
675F48Very low41Very low298 Ų298163.2 Ų163.2100%1.30785%0.854SS**  trans76.60-159.7-63-75.6000113.8

Retrieved 675 of 675 residues in 172.7 ms (Link to these results)

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