A0A087Y6E6_POEFO Loading...

DEF6 guanine nucleotide exchange factor a

AlphaFold DB , UniProt , Accession A0A087Y6E6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 619 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
1M50.3Low81.7Confident121 Ų12139 Ų3960%0.59620%0.195SC*.  0146.50-65.1-167.5-71.700107.2K320M1-K320 HydrophobicContact CE-CB 4.21Å; M1-K320 HydrophobicContact CE-CD 4.16Å; M1-K320 HydrophobicContact CE-CG 3.87Å
2D72.1Confident82.3Confident78 Ų7839.8 Ų39.842%0.41719%0.194SC..  trans-72.1135176.8-174.6-14.2000109.2R4 S5 E6D2-R4 PolarHBondContact O-N 3.29Å; D2-R4 WeakPolarHBondContact OD1-CG 3.48Å; D2-R4 PolarHBondContact OD1-N 3.02Å; D2-R4 IonicContact OD1-NH1 2.64Å; D2-R4 PolarHBondContact OD1-NH1 3.34Å; D2-R4 WeakPolarHBondContact OD2-CD 3.47Å; D2-R4 IonicContact OD2-NH1 3.67Å; D2-R4 PolarHBondContact OD2-NH1 3.1Å; D2-S5 WeakPolarHBondContact O-CB 3.25Å; D2-S5 PolarHBondContact O-N 3.31Å; D2-S5 PolarHBondContact O-OG 2.94Å; D2-E6 PolarHBondContact O-N 3.37Å
3L78.6Confident82.6Confident35 Ų3537.1 Ų37.118%0.18318%0.18CC..Hα-helixtrans-52.6-36.6173.8-176.261.3000111.7S5 E6 L7 V80 E82 F85L3-S5 VanDerWaalsContact C-N 3.31Å; L3-S5 PolarHBondContact O-N 3.34Å; L3-E6 PolarHBondContact O-N 3.15Å; L3-L7 HydrophobicContact CG-CD1 4.34Å; L3-L7 WeakPolarHBondContact O-CG 3.3Å; L3-L7 PolarHBondContact O-N 3.04Å; L3-L7 VanDerWaalsContact O-N 3.16Å; L3-V80 HydrophobicContact CD2-CG1 3.73Å; L3-V80 HydrophobicContact CG-CG1 4.39Å; L3-E82 HydrophobicContact CD2-CB 3.88Å; L3-E82 HydrophobicContact CD2-CG 4.12Å; L3-F85 HydrophobicContact CD1-CZ 4.28Å; L3-F85 HydrophobicContact CD2-CE1 4.18Å; L3-F85 HydrophobicContact CD2-CZ 4.24Å
4R83.5Confident82.8Confident92 Ų9234.4 Ų34.435%0.34717%0.167SC..Hα-helixtrans-55.1-45.5172.9-61.2-178.9-179.868.51.5111.9D2 E6 L7 L8 L77 D78D2-R4 PolarHBondContact O-N 3.29Å; D2-R4 WeakPolarHBondContact OD1-CG 3.48Å; D2-R4 PolarHBondContact OD1-N 3.02Å; D2-R4 IonicContact OD1-NH1 2.64Å; D2-R4 PolarHBondContact OD1-NH1 3.34Å; D2-R4 WeakPolarHBondContact OD2-CD 3.47Å; D2-R4 IonicContact OD2-NH1 3.67Å; D2-R4 PolarHBondContact OD2-NH1 3.1Å; R4-E6 VanDerWaalsContact C-N 3.34Å; R4-E6 PolarHBondContact O-N 3.11Å; R4-L7 PolarHBondContact O-N 3.02Å; R4-L8 VanDerWaalsContact O-CB 3.3Å; R4-L8 WeakPolarHBondContact O-CB 3.21Å; R4-L8 PolarHBondContact O-N 3.22Å; R4-L77 HydrophobicContact CG-CB 4.13Å; R4-D78 IonicContact CZ-OD1 2.62Å; R4-D78 IonicContact NE-OD1 3.04Å; R4-D78 PolarHBondContact NE-OD1 3.47Å; R4-D78 IonicContact NH2-OD1 3.8Å; R4-D78 PolarHBondContact NH2-OD1 3.16Å
5S82.3Confident82.8Confident43 Ų4333 Ų3330%0.30116%0.16SC..Hα-helixtrans-68.1-32-175.970.50000112.9D2 L3D2-S5 WeakPolarHBondContact O-CB 3.25Å; D2-S5 PolarHBondContact O-N 3.31Å; D2-S5 PolarHBondContact O-OG 2.94Å; L3-S5 VanDerWaalsContact C-N 3.31Å; L3-S5 PolarHBondContact O-N 3.34Å
6E85.1Confident82.8Confident20 Ų2033.8 Ų33.89%0.09317%0.167CC..Hα-helixtrans-72.5-43.5174.9-69.3-173.4-151.100112D2 L3 R4 L8 K9 K87 K320D2-E6 PolarHBondContact O-N 3.37Å; L3-E6 PolarHBondContact O-N 3.15Å; R4-E6 VanDerWaalsContact C-N 3.34Å; R4-E6 PolarHBondContact O-N 3.11Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-K9 PolarHBondContact O-N 2.95Å; E6-K87 IonicContact OE2-NZ 2.64Å; E6-K87 PolarHBondContact OE2-NZ 3.36Å; E6-K320 VanDerWaalsContact CD-NZ 3.27Å; E6-K320 WeakPolarHBondContact OE1-CD 3.45Å; E6-K320 VanDerWaalsContact OE1-CE 3.27Å; E6-K320 WeakPolarHBondContact OE1-CE 3.48Å; E6-K320 IonicContact OE1-NZ 3.92Å; E6-K320 PolarHBondContact OE1-NZ 3.38Å; E6-K320 IonicContact OE2-NZ 2.67Å; E6-K320 PolarHBondContact OE2-NZ 3.45Å
7L88.1Confident82.9Confident0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-64.9-39.1176.5-66.2173.1000111.7L3 R4 K9 S10 I11 L42 L77 V80 F85 K87 V90L3-L7 HydrophobicContact CG-CD1 4.34Å; L3-L7 WeakPolarHBondContact O-CG 3.3Å; L3-L7 PolarHBondContact O-N 3.04Å; L3-L7 VanDerWaalsContact O-N 3.16Å; R4-L7 PolarHBondContact O-N 3.02Å; L7-K9 PolarHBondContact O-N 3.02Å; L7-S10 PolarHBondContact O-N 3.33Å; L7-I11 HydrophobicContact CB-CD1 4.13Å; L7-I11 WeakPolarHBondContact O-CB 3.48Å; L7-I11 VanDerWaalsContact O-CG1 3.26Å; L7-I11 WeakPolarHBondContact O-CG1 3.47Å; L7-I11 PolarHBondContact O-N 3.02Å; L7-L42 HydrophobicContact CD1-CD2 4Å; L7-L42 HydrophobicContact CD2-CD2 4.29Å; L7-L77 HydrophobicContact CB-CD2 4.04Å; L7-L77 HydrophobicContact CD1-CD2 4.18Å; L7-V80 HydrophobicContact CD1-CG1 3.99Å; L7-V80 HydrophobicContact CD1-CG2 4.04Å; L7-F85 HydrophobicContact CD1-CZ 4.12Å; L7-F85 HydrophobicContact CD2-CE2 3.96Å; L7-F85 HydrophobicContact CD2-CZ 4.25Å; L7-K87 HydrophobicContact CD2-CG 4.37Å; L7-V90 HydrophobicContact CD2-CB 4.46Å; L7-V90 HydrophobicContact CD2-CG1 4.23Å; L7-V90 HydrophobicContact CD2-CG2 4.35Å
8L89.1Confident82.9Confident29 Ų2931.3 Ų31.315%0.15216%0.156CC..Hα-helixtrans-60.6-29.9-178.5-167.966.1000112.8R4 E6 W12 M69 L72 L77 Y133R4-L8 VanDerWaalsContact O-CB 3.3Å; R4-L8 WeakPolarHBondContact O-CB 3.21Å; R4-L8 PolarHBondContact O-N 3.22Å; E6-L8 VanDerWaalsContact C-N 3.34Å; L8-W12 WeakPolarHBondContact O-CB 3.34Å; L8-W12 PolarHBondContact O-N 3.14Å; L8-M69 HydrophobicContact CD1-CE 4.02Å; L8-M69 HydrophobicContact CD1-SD 3.92Å; L8-L72 HydrophobicContact CD1-CD2 3.69Å; L8-L77 HydrophobicContact CD1-CD1 4.14Å; L8-Y133 HydrophobicContact CD2-CE2 4.37Å; L8-Y133 WeakPolarHBondContact CG-OH 3.46Å; L8-Y133 PolarHBondContact O-OH 3.44Å
9K90.2Very high82.7Confident9 Ų930.8 Ų30.84%0.03915%0.154CC..Hα-helixtrans-64-49.4177.4-68.1-166.3-178-159.40112.4E6 L7 W12 Y13 N126 S129 E130 D131 Y133 L135E6-K9 PolarHBondContact O-N 2.95Å; L7-K9 PolarHBondContact O-N 3.02Å; K9-W12 PolarHBondContact O-N 3.21Å; K9-Y13 WeakPolarHBondContact O-CD2 3.45Å; K9-Y13 PolarHBondContact O-N 3.41Å; K9-N126 VanDerWaalsContact CD-O 3.3Å; K9-N126 WeakPolarHBondContact CD-O 3.48Å; K9-S129 PolarHBondContact NZ-O 3.36Å; K9-S129 PolarHBondContact NZ-OG 3.41Å; K9-E130 PolarHBondContact NZ-O 2.77Å; K9-D131 VanDerWaalsContact CE-OD1 3.25Å; K9-D131 WeakPolarHBondContact CE-OD1 3.26Å; K9-D131 IonicContact NZ-OD1 2.88Å; K9-D131 PolarHBondContact NZ-OD1 3.23Å; K9-Y133 PolarHBondContact N-OH 2.97Å; K9-L135 HydrophobicContact CB-CD1 3.68Å; K9-L135 HydrophobicContact CD-CD1 4.23Å; K9-L135 HydrophobicContact CD-CD2 3.95Å; K9-L135 HydrophobicContact CG-CD1 3.92Å; K9-L135 HydrophobicContact CG-CD2 3.99Å
10S90.3Very high82Confident1 Ų135.5 Ų35.51%0.00718%0.179CC..Hα-helixtrans-67.9-42.3177-62.50000111.3L7 W12 Y13 G14 D91 C94 N126L7-S10 PolarHBondContact O-N 3.33Å; S10-W12 VanDerWaalsContact C-N 3.33Å; S10-W12 PolarHBondContact O-N 3.31Å; S10-Y13 PolarHBondContact O-N 2.94Å; S10-G14 PolarHBondContact O-N 3.23Å; S10-G14 VanDerWaalsContact O-N 3.11Å; S10-D91 VanDerWaalsContact CB-OD1 3.23Å; S10-D91 WeakPolarHBondContact CB-OD1 3.48Å; S10-D91 PolarHBondContact OG-OD1 3.17Å; S10-C94 VanDerWaalsContact C-SG 3.51Å; S10-C94 VanDerWaalsContact O-CB 3.27Å; S10-C94 WeakPolarHBondContact O-CB 3.41Å; S10-C94 PolarHBondContact O-SG 3.07Å; S10-N126 PolarHBondContact OG-ND2 3.45Å; S10-N126 VanDerWaalsContact OG-ND2 3.08Å
11I89.1Confident81.3Confident1 Ų141.1 Ų41.11%0.00520%0.204CC..Hα-helixtrans-64.3-35.5178.1-64.6166.7000111.8L7 Y13 G14 F15 L38 L72 L77L7-I11 HydrophobicContact CB-CD1 4.13Å; L7-I11 WeakPolarHBondContact O-CB 3.48Å; L7-I11 VanDerWaalsContact O-CG1 3.26Å; L7-I11 WeakPolarHBondContact O-CG1 3.47Å; L7-I11 PolarHBondContact O-N 3.02Å; I11-Y13 PolarHBondContact O-N 3.21Å; I11-G14 CarbonylContact O-C 3.39Å; I11-G14 WeakPolarHBondContact O-CA 3.43Å; I11-G14 PolarHBondContact O-N 2.9Å; I11-G14 VanDerWaalsContact O-N 3.16Å; I11-F15 PolarHBondContact O-N 3.09Å; I11-L38 HydrophobicContact CD1-CD1 4.27Å; I11-L38 HydrophobicContact CD1-CD2 4.05Å; I11-L38 HydrophobicContact CG1-CD1 4.22Å; I11-L38 HydrophobicContact CG1-CD2 3.81Å; I11-L38 HydrophobicContact CG2-CD1 3.98Å; I11-L72 HydrophobicContact CD1-CD1 4.42Å; I11-L72 HydrophobicContact CG2-CD1 4.12Å; I11-L72 HydrophobicContact CG2-CD2 3.76Å; I11-L77 HydrophobicContact CD1-CD2 4.08Å
12W88.4Confident82.3Confident49 Ų4944.5 Ų44.519%0.18622%0.216CC..Hα-helixtrans-63.6-38.8175.917684.7000112.8L8 K9 S10 F15 T16 Y133 P134 L135L8-W12 WeakPolarHBondContact O-CB 3.34Å; L8-W12 PolarHBondContact O-N 3.14Å; K9-W12 PolarHBondContact O-N 3.21Å; S10-W12 VanDerWaalsContact C-N 3.33Å; S10-W12 PolarHBondContact O-N 3.31Å; W12-F15 PolarHBondContact O-N 2.87Å; W12-T16 HydrophobicContact CD2-CG2 4.17Å; W12-T16 HydrophobicContact CZ2-CG2 3.85Å; W12-T16 WeakPolarHBondContact O-CB 3.38Å; W12-T16 WeakPolarHBondContact O-CG2 3.38Å; W12-T16 PolarHBondContact O-N 3.46Å; W12-T16 PolarHBondContact O-OG1 3.22Å; W12-Y133 HydrophobicContact CB-CD1 4.12Å; W12-Y133 HydrophobicContact CB-CE1 3.53Å; W12-Y133 AromaticContact CD1-CD1 3.63Å; W12-Y133 AromaticContact CD1-CE1 3.88Å; W12-Y133 AromaticContact CD2-CD1 3.33Å; W12-Y133 HydrophobicContact CD2-CD1 3.33Å; W12-Y133 AromaticContact CD2-CE1 3.66Å; W12-Y133 HydrophobicContact CD2-CE1 3.66Å; W12-Y133 HydrophobicContact CD2-CG 4.39Å; W12-Y133 AromaticContact CE2-CD1 3.53Å; W12-Y133 AromaticContact CE3-CD1 3.84Å; W12-Y133 HydrophobicContact CE3-CD1 3.84Å; W12-Y133 HydrophobicContact CE3-CE1 4.07Å; W12-Y133 AromaticContact CG-CD1 3.43Å; W12-Y133 HydrophobicContact CG-CD1 3.43Å; W12-Y133 VanDerWaalsContact CG-CD1 3.43Å; W12-Y133 AromaticContact CG-CE1 3.39Å; W12-Y133 HydrophobicContact CG-CE1 3.39Å; W12-Y133 HydrophobicContact CG-CG 4.39Å; W12-Y133 HydrophobicContact CZ2-CD1 4.2Å; W12-Y133 HydrophobicContact CZ3-CD1 4.45Å; W12-Y133 AromaticContact NE1-CD1 3.67Å; W12-P134 HydrophobicContact CH2-CB 3.61Å; W12-P134 HydrophobicContact CZ2-CB 3.96Å; W12-L135 HydrophobicContact CE3-CD1 3.99Å; W12-L135 HydrophobicContact CE3-CG 4.15Å; W12-L135 HydrophobicContact CZ3-CB 4.37Å; W12-L135 HydrophobicContact CZ3-CD1 4.39Å; W12-L135 HydrophobicContact CZ3-CG 4.25Å
13Y87.3Confident82.1Confident4 Ų443.5 Ų43.52%0.01622%0.215CC..Hα-helixtrans-62.7-45.3169.7-82.6-62.7000111.3K9 S10 I11 F15 T16 A17 T98 W122 F125 N126 L135 V178 W179K9-Y13 WeakPolarHBondContact O-CD2 3.45Å; K9-Y13 PolarHBondContact O-N 3.41Å; S10-Y13 PolarHBondContact O-N 2.94Å; I11-Y13 PolarHBondContact O-N 3.21Å; Y13-F15 VanDerWaalsContact C-N 3.31Å; Y13-F15 PolarHBondContact O-N 3.16Å; Y13-T16 WeakPolarHBondContact CA-OG1 3.48Å; Y13-T16 PolarHBondContact O-N 3.48Å; Y13-T16 PolarHBondContact O-OG1 2.75Å; Y13-A17 VanDerWaalsContact O-CB 3.27Å; Y13-A17 WeakPolarHBondContact O-CB 3.33Å; Y13-A17 PolarHBondContact O-N 3.41Å; Y13-T98 VanDerWaalsContact C-OG1 3.27Å; Y13-T98 HydrophobicContact CD1-CG2 4.08Å; Y13-T98 HydrophobicContact CG-CG2 4.46Å; Y13-T98 PolarHBondContact O-OG1 3.34Å; Y13-W122 AromaticContact CD2-CE2 3.9Å; Y13-W122 AromaticContact CD2-CZ2 3.78Å; Y13-W122 HydrophobicContact CD2-CZ2 3.78Å; Y13-W122 AromaticContact CD2-NE1 3.53Å; Y13-W122 AromaticContact CE2-NE1 3.79Å; Y13-W122 HydrophobicContact CG-CZ2 4.09Å; Y13-W122 AromaticContact CG-NE1 3.79Å; Y13-F125 WeakPolarHBondContact OH-CE1 3.14Å; Y13-N126 VanDerWaalsContact CE2-OD1 3.24Å; Y13-N126 WeakPolarHBondContact CE2-OD1 3.45Å; Y13-L135 HydrophobicContact CD2-CD1 4.14Å; Y13-L135 HydrophobicContact CE2-CB 4.38Å; Y13-L135 HydrophobicContact CE2-CD1 3.61Å; Y13-V178 HydrophobicContact CE1-CG1 3.78Å; Y13-V178 HydrophobicContact CE2-CG1 4.46Å; Y13-V178 WeakPolarHBondContact OH-CG1 3.32Å; Y13-W179 AromaticContact CD1-CZ2 3.88Å; Y13-W179 HydrophobicContact CD1-CZ2 3.88Å; Y13-W179 AromaticContact CE1-CZ2 3.83Å; Y13-W179 HydrophobicContact CE1-CZ2 3.83Å
14G85.3Confident81.6Confident0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-58.9-37174.600000114S10 I11 L18S10-G14 PolarHBondContact O-N 3.23Å; S10-G14 VanDerWaalsContact O-N 3.11Å; I11-G14 CarbonylContact O-C 3.39Å; I11-G14 WeakPolarHBondContact O-CA 3.43Å; I11-G14 PolarHBondContact O-N 2.9Å; I11-G14 VanDerWaalsContact O-N 3.16Å; G14-L18 WeakPolarHBondContact O-CG 3.31Å
15F83.1Confident81.2Confident13 Ų1343.4 Ų43.46%0.05722%0.223CC..Hα-helixtrans-71.4-50.9175.3-177.2-81.5000111.9I11 W12 Y13 A17 L18 D19 V26 L31 S65 Y68I11-F15 PolarHBondContact O-N 3.09Å; W12-F15 PolarHBondContact O-N 2.87Å; Y13-F15 VanDerWaalsContact C-N 3.31Å; Y13-F15 PolarHBondContact O-N 3.16Å; F15-A17 PolarHBondContact O-N 3.41Å; F15-L18 WeakPolarHBondContact O-CA 3.42Å; F15-L18 WeakPolarHBondContact O-CB 3.4Å; F15-L18 PolarHBondContact O-N 3.49Å; F15-D19 PolarHBondContact O-N 2.98Å; F15-V26 HydrophobicContact CD1-CG2 4.23Å; F15-V26 HydrophobicContact CD2-CG2 4.38Å; F15-V26 HydrophobicContact CE1-CG2 3.69Å; F15-V26 HydrophobicContact CE2-CB 4.32Å; F15-V26 HydrophobicContact CE2-CG2 3.9Å; F15-V26 HydrophobicContact CZ-CB 4.18Å; F15-V26 HydrophobicContact CZ-CG2 3.5Å; F15-L31 HydrophobicContact CD2-CD2 3.71Å; F15-L31 HydrophobicContact CE2-CD1 4.27Å; F15-L31 HydrophobicContact CE2-CD2 3.55Å; F15-S65 VanDerWaalsContact CZ-CA 3.43Å; F15-Y68 AromaticContact CD2-CD1 3.49Å; F15-Y68 HydrophobicContact CD2-CD1 3.49Å; F15-Y68 VanDerWaalsContact CD2-CD1 3.49Å; F15-Y68 HydrophobicContact CD2-CE1 4Å; F15-Y68 HydrophobicContact CD2-CG 4.21Å; F15-Y68 AromaticContact CE2-CD1 3.64Å; F15-Y68 HydrophobicContact CE2-CD1 3.64Å; F15-Y68 AromaticContact CE2-CG 3.9Å; F15-Y68 HydrophobicContact CE2-CG 3.9Å
16T82.3Confident81.2Confident45 Ų4541.5 Ų41.528%0.27621%0.209SC..Hα-helixtrans-66.8-22.7-179.6510000112.8W12 Y13 L18W12-T16 HydrophobicContact CD2-CG2 4.17Å; W12-T16 HydrophobicContact CZ2-CG2 3.85Å; W12-T16 WeakPolarHBondContact O-CB 3.38Å; W12-T16 WeakPolarHBondContact O-CG2 3.38Å; W12-T16 PolarHBondContact O-N 3.46Å; W12-T16 PolarHBondContact O-OG1 3.22Å; Y13-T16 WeakPolarHBondContact CA-OG1 3.48Å; Y13-T16 PolarHBondContact O-N 3.48Å; Y13-T16 PolarHBondContact O-OG1 2.75Å; T16-L18 VanDerWaalsContact C-N 3.27Å; T16-L18 PolarHBondContact O-N 2.97Å
17A83.8Confident81Confident4 Ų442.3 Ų42.33%0.03322%0.218CC..THydrogen-bonded Turntrans-66.8-24.8167.400000113.4Y13 F15 L97 T98 K101Y13-A17 VanDerWaalsContact O-CB 3.27Å; Y13-A17 WeakPolarHBondContact O-CB 3.33Å; Y13-A17 PolarHBondContact O-N 3.41Å; F15-A17 PolarHBondContact O-N 3.41Å; A17-L97 HydrophobicContact CB-CB 4.5Å; A17-T98 HydrophobicContact CB-CG2 4.13Å; A17-K101 VanDerWaalsContact O-CD 3.23Å; A17-K101 WeakPolarHBondContact O-CD 3.36Å; A17-K101 WeakPolarHBondContact O-CE 3.43Å; A17-K101 PolarHBondContact O-NZ 3.16Å
18L82.8Confident80.6Confident20 Ų2044.6 Ų44.611%0.10523%0.227CC..THydrogen-bonded Turntrans-89-22.5179.1-62.5169.3000112.7G14 F15 T16 L20 V26 Q30 L34G14-L18 WeakPolarHBondContact O-CG 3.31Å; F15-L18 WeakPolarHBondContact O-CA 3.42Å; F15-L18 WeakPolarHBondContact O-CB 3.4Å; F15-L18 PolarHBondContact O-N 3.49Å; T16-L18 VanDerWaalsContact C-N 3.27Å; T16-L18 PolarHBondContact O-N 2.97Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 3.16Å; L18-V26 HydrophobicContact CB-CB 4.46Å; L18-V26 HydrophobicContact CB-CG1 3.49Å; L18-V26 VanDerWaalsContact CB-CG1 3.49Å; L18-V26 HydrophobicContact CB-CG2 4.05Å; L18-V26 HydrophobicContact CD1-CG1 4.3Å; L18-Q30 HydrophobicContact CD1-CB 4.31Å; L18-Q30 HydrophobicContact CD2-CB 4.31Å; L18-Q30 HydrophobicContact CD2-CG 4.41Å; L18-L34 HydrophobicContact CD1-CB 4.14Å; L18-L34 HydrophobicContact CD1-CD2 3.89Å
19D79.8Confident80.2Confident22 Ų2247 Ų4712%0.11825%0.247CC..  trans-70.781.2171.2-179.35.2000110.7F15 E21 K22 S23 G24 V26F15-D19 PolarHBondContact O-N 2.98Å; D19-E21 VanDerWaalsContact C-N 3.25Å; D19-E21 PolarHBondContact O-N 3.49Å; D19-K22 PolarHBondContact O-N 2.85Å; D19-K22 VanDerWaalsContact OD1-CA 3.26Å; D19-K22 WeakPolarHBondContact OD1-CA 3.47Å; D19-K22 PolarHBondContact OD1-N 3.16Å; D19-K22 WeakPolarHBondContact OD2-CA 3.46Å; D19-S23 PolarHBondContact OD1-N 2.8Å; D19-S23 PolarHBondContact OD2-N 2.98Å; D19-G24 WeakPolarHBondContact OD2-CA 3.49Å; D19-G24 PolarHBondContact OD2-N 3.4Å; D19-V26 HydrophobicContact CB-CG2 4.06Å
20L69.6Low79.9Confident123 Ų12349.4 Ų49.464%0.64426%0.258SS*.THydrogen-bonded Turntrans-63.4-28.2-175.8-81.6164.9000113.9L18L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 3.16Å
21E67.1Low79.5Confident154 Ų15449.4 Ų49.472%0.7226%0.258SS*.THydrogen-bonded Turntrans-97.1-9.7-174.9-63.8177.2162.100112.7D19 S23D19-E21 VanDerWaalsContact C-N 3.25Å; D19-E21 PolarHBondContact O-N 3.49Å; E21-S23 PolarHBondContact O-N 3.08Å; E21-S23 PolarHBondContact OE2-OG 3.17Å
22K70.1Confident79.2Confident192 Ų19252.9 Ų52.984%0.83527%0.273SS*.SBendtrans5728.6-163.6-52.3176.8-177.31750112D19 G24D19-K22 PolarHBondContact O-N 2.85Å; D19-K22 VanDerWaalsContact OD1-CA 3.26Å; D19-K22 WeakPolarHBondContact OD1-CA 3.47Å; D19-K22 PolarHBondContact OD1-N 3.16Å; D19-K22 WeakPolarHBondContact OD2-CA 3.46Å; K22-G24 PolarHBondContact O-N 3.13Å
23S68.4Low79.1Confident57 Ų5754.8 Ų54.840%0.39929%0.29SS..SBendtrans-851.3-178.562.90000112.7D19 E21D19-S23 PolarHBondContact OD1-N 2.8Å; D19-S23 PolarHBondContact OD2-N 2.98Å; E21-S23 PolarHBondContact O-N 3.08Å; E21-S23 PolarHBondContact OE2-OG 3.17Å
24G68.7Low79.1Confident26 Ų2654.8 Ų54.827%0.26829%0.29SS..SBendtrans788-175.300000113.3D19 K22 S64 S65D19-G24 WeakPolarHBondContact OD2-CA 3.49Å; D19-G24 PolarHBondContact OD2-N 3.4Å; K22-G24 PolarHBondContact O-N 3.13Å; G24-S64 CarbonylContact O-C 3.53Å; G24-S64 VanDerWaalsContact O-CA 3.28Å; G24-S64 WeakPolarHBondContact O-CA 3.14Å; G24-S65 PolarHBondContact O-N 3.44Å
25K74.7Confident79.2Confident100 Ų10054.8 Ų54.844%0.43529%0.29SS..EExtended strand (participates in β ladder)trans-128.6144.7-168.2-61.7-176.6172.9-160.50112.3P62 V63K25-P62 HydrophobicContact CB-CB 3.91Å; K25-P62 HydrophobicContact CB-CG 4.01Å; K25-P62 HydrophobicContact CD-CG 4.1Å; K25-P62 WeakPolarHBondContact CD-O 3.43Å; K25-V63 CarbonylContact C-O 3.56Å; K25-V63 VanDerWaalsContact CA-O 3.31Å; K25-V63 WeakPolarHBondContact CA-O 3.34Å
26V81.2Confident79.4Confident2 Ų258.2 Ų58.21%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-133.6141.8-178.2-177.20000110.1F15 L18 D19 Q30 L31 P62 V63F15-V26 HydrophobicContact CD1-CG2 4.23Å; F15-V26 HydrophobicContact CD2-CG2 4.38Å; F15-V26 HydrophobicContact CE1-CG2 3.69Å; F15-V26 HydrophobicContact CE2-CB 4.32Å; F15-V26 HydrophobicContact CE2-CG2 3.9Å; F15-V26 HydrophobicContact CZ-CB 4.18Å; F15-V26 HydrophobicContact CZ-CG2 3.5Å; L18-V26 HydrophobicContact CB-CB 4.46Å; L18-V26 HydrophobicContact CB-CG1 3.49Å; L18-V26 VanDerWaalsContact CB-CG1 3.49Å; L18-V26 HydrophobicContact CB-CG2 4.05Å; L18-V26 HydrophobicContact CD1-CG1 4.3Å; D19-V26 HydrophobicContact CB-CG2 4.06Å; V26-Q30 HydrophobicContact CG1-CB 3.87Å; V26-L31 HydrophobicContact CB-CD1 4.2Å; V26-L31 HydrophobicContact CB-CD2 3.89Å; V26-L31 HydrophobicContact CB-CG 3.97Å; V26-L31 HydrophobicContact CG1-CD2 3.67Å; V26-L31 HydrophobicContact CG1-CG 3.76Å; V26-L31 HydrophobicContact CG2-CD2 4.49Å; V26-P62 CarbonylContact O-C 3.54Å; V26-P62 WeakPolarHBondContact O-CA 3.48Å; V26-V63 PolarHBondContact N-O 3Å; V26-V63 PolarHBondContact O-N 3.42Å
27S82.4Confident79.7Confident38 Ų3858.8 Ų58.827%0.26631%0.308SS..  trans-63.3142.1-179.968.30000112.5S29 Q30 L31S27-S29 PolarHBondContact O-N 3.5Å; S27-S29 VanDerWaalsContact O-N 3.15Å; S27-S29 PolarHBondContact OG-OG 2.88Å; S27-Q30 PolarHBondContact O-N 3.48Å; S27-Q30 VanDerWaalsContact O-N 3.11Å; S27-Q30 WeakPolarHBondContact OG-CB 3.32Å; S27-Q30 VanDerWaalsContact OG-CG 3.24Å; S27-Q30 WeakPolarHBondContact OG-CG 3.23Å; S27-Q30 PolarHBondContact OG-N 3.39Å; S27-Q30 PolarHBondContact OG-OE1 3.26Å; S27-L31 PolarHBondContact O-N 2.77Å; S27-L31 VanDerWaalsContact O-N 3.1Å
28K78.2Confident80Confident47 Ų4758.6 Ų58.620%0.20431%0.306CS..Hα-helixtrans-52.6-37.6178.9-74.9-174.7175.2-178.50112.5L31 K32 F55 D59 V63K28-L31 PolarHBondContact O-N 3.03Å; K28-K32 WeakPolarHBondContact O-CG 3.06Å; K28-K32 PolarHBondContact O-N 3.43Å; K28-F55 HydrophobicContact CD-CB 4.27Å; K28-F55 PolarHBondContact NZ-O 2.93Å; K28-D59 WeakPolarHBondContact CE-O 3.47Å; K28-D59 PolarHBondContact NZ-O 3.3Å; K28-V63 HydrophobicContact CD-CG2 4.49Å; K28-V63 HydrophobicContact CG-CG2 3.64Å
29S80.6Confident80.2Confident80 Ų8057.9 Ų57.956%0.55930%0.302SS*.Hα-helixtrans-66.6-42.7178.953.80000113.2S27 K32 V33S27-S29 PolarHBondContact O-N 3.5Å; S27-S29 VanDerWaalsContact O-N 3.15Å; S27-S29 PolarHBondContact OG-OG 2.88Å; S29-K32 PolarHBondContact O-N 2.91Å; S29-V33 PolarHBondContact O-N 3.37Å; S29-V33 VanDerWaalsContact O-N 3.12Å
30Q83.9Confident80.6Confident59 Ų5960.8 Ų60.828%0.27632%0.321SS..Hα-helixtrans-64.2-40174.4-73.7165.6-34.600111.7L18 V26 S27 V33 L34L18-Q30 HydrophobicContact CD1-CB 4.31Å; L18-Q30 HydrophobicContact CD2-CB 4.31Å; L18-Q30 HydrophobicContact CD2-CG 4.41Å; V26-Q30 HydrophobicContact CG1-CB 3.87Å; S27-Q30 PolarHBondContact O-N 3.48Å; S27-Q30 VanDerWaalsContact O-N 3.11Å; S27-Q30 WeakPolarHBondContact OG-CB 3.32Å; S27-Q30 VanDerWaalsContact OG-CG 3.24Å; S27-Q30 WeakPolarHBondContact OG-CG 3.23Å; S27-Q30 PolarHBondContact OG-N 3.39Å; S27-Q30 PolarHBondContact OG-OE1 3.26Å; Q30-V33 PolarHBondContact O-N 3Å; Q30-L34 WeakPolarHBondContact O-CB 3.49Å; Q30-L34 PolarHBondContact O-N 2.87Å
31L83.6Confident81.6Confident1 Ų156.5 Ų56.51%0.00530%0.3CS..Hα-helixtrans-68.6-33.8175.4-64.3-179.2000112.8F15 V26 S27 K28 L34 S35 V63 Y68F15-L31 HydrophobicContact CD2-CD2 3.71Å; F15-L31 HydrophobicContact CE2-CD1 4.27Å; F15-L31 HydrophobicContact CE2-CD2 3.55Å; V26-L31 HydrophobicContact CB-CD1 4.2Å; V26-L31 HydrophobicContact CB-CD2 3.89Å; V26-L31 HydrophobicContact CB-CG 3.97Å; V26-L31 HydrophobicContact CG1-CD2 3.67Å; V26-L31 HydrophobicContact CG1-CG 3.76Å; V26-L31 HydrophobicContact CG2-CD2 4.49Å; S27-L31 PolarHBondContact O-N 2.77Å; S27-L31 VanDerWaalsContact O-N 3.1Å; K28-L31 PolarHBondContact O-N 3.03Å; L31-L34 HydrophobicContact CD2-CD2 4.49Å; L31-L34 PolarHBondContact O-N 3.42Å; L31-S35 VanDerWaalsContact O-CB 3.27Å; L31-S35 WeakPolarHBondContact O-CB 3.34Å; L31-S35 PolarHBondContact O-N 3.35Å; L31-S35 PolarHBondContact O-OG 3.24Å; L31-V63 HydrophobicContact CD1-CB 3.74Å; L31-V63 HydrophobicContact CD1-CG1 3.96Å; L31-V63 HydrophobicContact CD1-CG2 4.46Å; L31-Y68 HydrophobicContact CB-CD2 4.28Å; L31-Y68 HydrophobicContact CB-CE2 4.22Å; L31-Y68 HydrophobicContact CD1-CD2 3.88Å; L31-Y68 HydrophobicContact CD1-CG 4.09Å; L31-Y68 HydrophobicContact CD2-CD1 4.32Å; L31-Y68 HydrophobicContact CD2-CD2 4.16Å; L31-Y68 HydrophobicContact CD2-CE1 4.42Å; L31-Y68 HydrophobicContact CD2-CE2 4.27Å; L31-Y68 HydrophobicContact CD2-CG 4.18Å; L31-Y68 HydrophobicContact CG-CD2 4.34Å
32K82.2Confident82.6Confident75 Ų7549.2 Ų49.233%0.32627%0.266SS..Hα-helixtrans-60.8-47.2171-78-173.6178-175.60111.5K28 S29 S35 H36 L51 E52K28-K32 WeakPolarHBondContact O-CG 3.06Å; K28-K32 PolarHBondContact O-N 3.43Å; S29-K32 PolarHBondContact O-N 2.91Å; K32-S35 PolarHBondContact O-N 2.9Å; K32-H36 WeakPolarHBondContact O-CB 3.35Å; K32-H36 PolarHBondContact O-N 2.89Å; K32-L51 HydrophobicContact CB-CD2 4.36Å; K32-L51 HydrophobicContact CG-CD2 4Å; K32-L51 HydrophobicContact CG-CG 4.24Å; K32-E52 IonicContact NZ-OE1 2.78Å; K32-E52 PolarHBondContact NZ-OE1 2.75Å
33V86.1Confident83.4Confident88 Ų8843.7 Ų43.753%0.53325%0.252SS..Hα-helixtrans-64.2-43.2177.2175.40000111.9S29 Q30 H36 N37S29-V33 PolarHBondContact O-N 3.37Å; S29-V33 VanDerWaalsContact O-N 3.12Å; Q30-V33 PolarHBondContact O-N 3Å; V33-H36 PolarHBondContact O-N 3.28Å; V33-N37 WeakPolarHBondContact O-CB 3.43Å; V33-N37 PolarHBondContact O-N 2.65Å; V33-N37 PolarHBondContact O-ND2 3.29Å
34L87.8Confident84.3Confident5 Ų541.6 Ų41.63%0.02624%0.236CC..Hα-helixtrans-61.2-46.6175.4178.861.5000111.4L18 Q30 L31 H36 N37 L38 Y68 L97L18-L34 HydrophobicContact CD1-CB 4.14Å; L18-L34 HydrophobicContact CD1-CD2 3.89Å; Q30-L34 WeakPolarHBondContact O-CB 3.49Å; Q30-L34 PolarHBondContact O-N 2.87Å; L31-L34 HydrophobicContact CD2-CD2 4.49Å; L31-L34 PolarHBondContact O-N 3.42Å; L34-H36 PolarHBondContact O-N 3.31Å; L34-N37 PolarHBondContact O-N 3.24Å; L34-L38 HydrophobicContact CD1-CD1 3.92Å; L34-L38 HydrophobicContact CD1-CG 4.05Å; L34-L38 HydrophobicContact CG-CD1 3.85Å; L34-L38 HydrophobicContact CG-CG 4.38Å; L34-L38 WeakPolarHBondContact O-CB 3.41Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 3.43Å; L34-Y68 HydrophobicContact CD2-CE1 4.41Å; L34-L97 HydrophobicContact CD1-CD1 3.76Å
35S87.4Confident84.7Confident0 Ų045.6 Ų45.60%026%0.257CS..Hα-helixtrans-59.4-47.6178.8-60.50000111.8L31 K32 N37 L38 C39 Y68L31-S35 VanDerWaalsContact O-CB 3.27Å; L31-S35 WeakPolarHBondContact O-CB 3.34Å; L31-S35 PolarHBondContact O-N 3.35Å; L31-S35 PolarHBondContact O-OG 3.24Å; K32-S35 PolarHBondContact O-N 2.9Å; S35-N37 PolarHBondContact O-N 3.11Å; S35-L38 PolarHBondContact O-N 3.42Å; S35-C39 PolarHBondContact O-N 2.99Å; S35-C39 PolarHBondContact O-SG 3.4Å; S35-Y68 PolarHBondContact OG-OH 2.73Å
36H86.8Confident84.5Confident84 Ų8444 Ų4439%0.38925%0.251SS..Hα-helixtrans-58.9-47.9177.9176.7-83.2000111.8K32 V33 L34 C39 T40 H46K32-H36 WeakPolarHBondContact O-CB 3.35Å; K32-H36 PolarHBondContact O-N 2.89Å; V33-H36 PolarHBondContact O-N 3.28Å; L34-H36 PolarHBondContact O-N 3.31Å; H36-C39 PolarHBondContact O-N 3.3Å; H36-T40 WeakPolarHBondContact O-CB 3.4Å; H36-T40 PolarHBondContact O-N 3.22Å; H36-T40 PolarHBondContact O-OG1 2.91Å; H36-H46 AromaticContact CD2-CD2 3.64Å; H36-H46 AromaticContact CD2-CE1 3.94Å; H36-H46 AromaticContact CD2-NE2 3.57Å
37N89.3Confident84Confident58 Ų5847 Ų4731%0.3127%0.267SS..Hα-helixtrans-68.2-37.7-178.8-65.6-8.5000111.7V33 L34 S35 T40 V41 L93V33-N37 WeakPolarHBondContact O-CB 3.43Å; V33-N37 PolarHBondContact O-N 2.65Å; V33-N37 PolarHBondContact O-ND2 3.29Å; L34-N37 PolarHBondContact O-N 3.24Å; S35-N37 PolarHBondContact O-N 3.11Å; N37-T40 PolarHBondContact O-N 3.49Å; N37-V41 WeakPolarHBondContact O-CG2 3.26Å; N37-V41 PolarHBondContact O-N 3.2Å; N37-L93 HydrophobicContact CB-CD1 4.09Å; N37-L93 HydrophobicContact CB-CD2 3.81Å
38L89.4Confident83.2Confident0 Ų048.4 Ų48.40%028%0.275CS..Hα-helixtrans-63.1-45.9172.7-72.7171.6000111.8I11 L34 S35 T40 V41 L42 L72 I76 V90 L93I11-L38 HydrophobicContact CD1-CD1 4.27Å; I11-L38 HydrophobicContact CD1-CD2 4.05Å; I11-L38 HydrophobicContact CG1-CD1 4.22Å; I11-L38 HydrophobicContact CG1-CD2 3.81Å; I11-L38 HydrophobicContact CG2-CD1 3.98Å; L34-L38 HydrophobicContact CD1-CD1 3.92Å; L34-L38 HydrophobicContact CD1-CG 4.05Å; L34-L38 HydrophobicContact CG-CD1 3.85Å; L34-L38 HydrophobicContact CG-CG 4.38Å; L34-L38 WeakPolarHBondContact O-CB 3.41Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 3.43Å; S35-L38 PolarHBondContact O-N 3.42Å; L38-T40 VanDerWaalsContact C-N 3.31Å; L38-T40 PolarHBondContact O-N 2.97Å; L38-V41 PolarHBondContact O-N 3.16Å; L38-L42 HydrophobicContact CB-CD1 4.44Å; L38-L42 VanDerWaalsContact O-CB 3.23Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 WeakPolarHBondContact O-CD1 3.48Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.96Å; L38-L72 HydrophobicContact CD1-CD1 4.28Å; L38-I76 HydrophobicContact CB-CD1 4.23Å; L38-V90 HydrophobicContact CD2-CG1 4.13Å; L38-L93 HydrophobicContact CD2-CD2 4.04Å; L38-L93 HydrophobicContact CG-CD2 4.4Å
39C87.4Confident82.8Confident4 Ų449.5 Ų49.53%0.02729%0.286CS..Hα-helixtrans-59.2-44.4175.5-63.70000111.5S35 H36 V41 L42 S43 I44S35-C39 PolarHBondContact O-N 2.99Å; S35-C39 PolarHBondContact O-SG 3.4Å; H36-C39 PolarHBondContact O-N 3.3Å; C39-V41 PolarHBondContact O-N 3.17Å; C39-L42 PolarHBondContact O-N 3.24Å; C39-S43 PolarHBondContact O-N 3.13Å; C39-S43 VanDerWaalsContact O-N 3.12Å; C39-I44 HydrophobicContact CB-CB 4.33Å; C39-I44 PolarHBondContact O-N 2.96Å
40T88.9Confident82.2Confident83 Ų8346.2 Ų46.251%0.50926%0.264SS..Hα-helixtrans-59.1-48.3178.6-560000111.6H36 N37 L38 S43H36-T40 WeakPolarHBondContact O-CB 3.4Å; H36-T40 PolarHBondContact O-N 3.22Å; H36-T40 PolarHBondContact O-OG1 2.91Å; N37-T40 PolarHBondContact O-N 3.49Å; L38-T40 VanDerWaalsContact C-N 3.31Å; L38-T40 PolarHBondContact O-N 2.97Å; T40-S43 PolarHBondContact O-N 3.39Å
41V90.1Very high81.4Confident34 Ų3443.7 Ų43.721%0.20625%0.252CS..Hα-helixtrans-75.1-32.2-176.6178.10000112.5N37 L38 C39 S43 N89 V90 L93N37-V41 WeakPolarHBondContact O-CG2 3.26Å; N37-V41 PolarHBondContact O-N 3.2Å; L38-V41 PolarHBondContact O-N 3.16Å; C39-V41 PolarHBondContact O-N 3.17Å; V41-S43 PolarHBondContact O-N 3.22Å; V41-N89 HydrophobicContact CG1-CB 3.44Å; V41-N89 VanDerWaalsContact CG1-CB 3.44Å; V41-V90 HydrophobicContact CG1-CB 4.34Å; V41-V90 HydrophobicContact CG1-CG2 3.63Å; V41-L93 HydrophobicContact CG2-CD2 4.17Å
42L88.5Confident80.7Confident0 Ų048.1 Ų48.10%027%0.273CS..THydrogen-bonded Turntrans-79.80.5174.9-65.7167000113.3L7 L38 C39 I44 I76 V80 F85 V90L7-L42 HydrophobicContact CD1-CD2 4Å; L7-L42 HydrophobicContact CD2-CD2 4.29Å; L38-L42 HydrophobicContact CB-CD1 4.44Å; L38-L42 VanDerWaalsContact O-CB 3.23Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 WeakPolarHBondContact O-CD1 3.48Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.96Å; C39-L42 PolarHBondContact O-N 3.24Å; L42-I44 HydrophobicContact CB-CD1 3.65Å; L42-I44 HydrophobicContact CB-CG1 3.85Å; L42-I44 HydrophobicContact CD1-CD1 3.95Å; L42-I44 HydrophobicContact CG-CD1 4.44Å; L42-I44 PolarHBondContact O-N 2.68Å; L42-I76 HydrophobicContact CD1-CG2 3.46Å; L42-I76 VanDerWaalsContact CD1-CG2 3.46Å; L42-V80 HydrophobicContact CD1-CG2 4.02Å; L42-V80 HydrophobicContact CD2-CG2 4.18Å; L42-F85 HydrophobicContact CD2-CD1 4.39Å; L42-F85 HydrophobicContact CD2-CD2 3.68Å; L42-F85 HydrophobicContact CD2-CE1 4.45Å; L42-F85 HydrophobicContact CD2-CE2 3.74Å; L42-F85 HydrophobicContact CD2-CG 4.03Å; L42-F85 HydrophobicContact CD2-CZ 4.14Å; L42-V90 HydrophobicContact CD2-CG2 3.68Å; L42-V90 HydrophobicContact CG-CG2 4.26Å
43S86.4Confident80.1Confident77 Ų7749.6 Ų49.654%0.53828%0.28SS..THydrogen-bonded Turntrans57.530.4-175-52.10000114.1C39 T40 V41 S84C39-S43 PolarHBondContact O-N 3.13Å; C39-S43 VanDerWaalsContact O-N 3.12Å; T40-S43 PolarHBondContact O-N 3.39Å; V41-S43 PolarHBondContact O-N 3.22Å; S43-S84 WeakPolarHBondContact CB-O 3.3Å; S43-S84 PolarHBondContact OG-O 3.44Å
44I86Confident79.4Confident12 Ų1248.6 Ų48.66%0.06227%0.27CS..PPolyproline II helixtrans-88.1133.9179.9-63.2168.2000109.3C39 L42 H46 I76 K79 V80C39-I44 HydrophobicContact CB-CB 4.33Å; C39-I44 PolarHBondContact O-N 2.96Å; L42-I44 HydrophobicContact CB-CD1 3.65Å; L42-I44 HydrophobicContact CB-CG1 3.85Å; L42-I44 HydrophobicContact CD1-CD1 3.95Å; L42-I44 HydrophobicContact CG-CD1 4.44Å; L42-I44 PolarHBondContact O-N 2.68Å; I44-H46 PolarHBondContact O-N 3.5Å; I44-H46 VanDerWaalsContact O-N 3.09Å; I44-I76 HydrophobicContact CD1-CG2 3.91Å; I44-I76 VanDerWaalsContact CD1-O 3.29Å; I44-I76 WeakPolarHBondContact CD1-O 3.28Å; I44-K79 HydrophobicContact CD1-CB 4.22Å; I44-K79 HydrophobicContact CG1-CB 4.35Å; I44-K79 HydrophobicContact CG2-CB 3.94Å; I44-K79 HydrophobicContact CG2-CD 3.89Å; I44-V80 HydrophobicContact CD1-CG2 3.97Å
45P77.6Confident78.6Confident110 Ų11049.8 Ų49.871%0.71428%0.275SS*.PPolyproline II helixtrans-55.7116.2172.4-25.334.7000111.5D47P45-D47 PolarHBondContact O-N 3.4Å
46H71Confident77.6Confident67 Ų6756.5 Ų56.531%0.3130%0.3SS..PPolyproline II helixtrans-72.8116-177.8-173.5-86.9000110.7H36 I44 P48H36-H46 AromaticContact CD2-CD2 3.64Å; H36-H46 AromaticContact CD2-CE1 3.94Å; H36-H46 AromaticContact CD2-NE2 3.57Å; I44-H46 PolarHBondContact O-N 3.5Å; I44-H46 VanDerWaalsContact O-N 3.09Å; H46-P48 VanDerWaalsContact O-CD 3.29Å; H46-P48 WeakPolarHBondContact O-CD 3.43Å
47D70.1Confident76.2Confident66 Ų6658.4 Ų58.435%0.35331%0.314SS..  trans-103.196.5173.5-173.3-17.7000108.9P45 V49 A50P45-D47 PolarHBondContact O-N 3.4Å; D47-V49 PolarHBondContact O-N 3.46Å; D47-V49 PolarHBondContact OD1-N 3.26Å; D47-A50 HydrophobicContact CB-CB 4.09Å; D47-A50 VanDerWaalsContact CG-CB 3.45Å; D47-A50 PolarHBondContact OD1-N 3.47Å; D47-A50 WeakPolarHBondContact OD2-CB 3.42Å
48P66.6Low74.5Confident67 Ų6764.1 Ų64.144%0.43534%0.344SS..Hα-helixtrans-67.2-29.6178.528.6-33.2000111.4H46 L51 E52H46-P48 VanDerWaalsContact O-CD 3.29Å; H46-P48 WeakPolarHBondContact O-CD 3.43Å; P48-L51 PolarHBondContact O-N 3.17Å; P48-E52 WeakPolarHBondContact O-CG 3.39Å; P48-E52 PolarHBondContact O-N 2.97Å
49V68.3Low72.9Confident70 Ų7069.2 Ų69.242%0.42437%0.371SS..Hα-helixtrans-72.6-43.9-174.9-173.80000110.1D47 L51 E52 E53D47-V49 PolarHBondContact O-N 3.46Å; D47-V49 PolarHBondContact OD1-N 3.26Å; V49-L51 VanDerWaalsContact C-N 3.27Å; V49-L51 PolarHBondContact O-N 3.07Å; V49-E52 PolarHBondContact O-N 3.45Å; V49-E52 VanDerWaalsContact O-N 3.17Å; V49-E53 HydrophobicContact CG1-CG 4.2Å; V49-E53 WeakPolarHBondContact O-CB 3.35Å; V49-E53 WeakPolarHBondContact O-CG 3.29Å; V49-E53 PolarHBondContact O-N 3.09Å
50A68.9Low71.5Confident11 Ų1177.2 Ų77.29%0.09141%0.414CS..Hα-helixtrans-61.7-32.6176.700000113.4D47 H54 Y75D47-A50 HydrophobicContact CB-CB 4.09Å; D47-A50 VanDerWaalsContact CG-CB 3.45Å; D47-A50 PolarHBondContact OD1-N 3.47Å; D47-A50 WeakPolarHBondContact OD2-CB 3.42Å; A50-H54 WeakPolarHBondContact O-CB 3.47Å; A50-H54 PolarHBondContact O-N 3.45Å; A50-H54 VanDerWaalsContact O-N 3.07Å; A50-Y75 HydrophobicContact CB-CD1 4.29Å; A50-Y75 HydrophobicContact CB-CE1 4.2Å
51L67.8Low70.1Confident6 Ų674.4 Ų74.43%0.03140%0.401CS..Hα-helixtrans-74.6-36.1175.417657.4000112.4K32 P48 V49 F55 Y71K32-L51 HydrophobicContact CB-CD2 4.36Å; K32-L51 HydrophobicContact CG-CD2 4Å; K32-L51 HydrophobicContact CG-CG 4.24Å; P48-L51 PolarHBondContact O-N 3.17Å; V49-L51 VanDerWaalsContact C-N 3.27Å; V49-L51 PolarHBondContact O-N 3.07Å; L51-F55 HydrophobicContact CD1-CD2 3.81Å; L51-F55 HydrophobicContact CD1-CE2 3.74Å; L51-F55 WeakPolarHBondContact O-CD2 3.47Å; L51-Y71 HydrophobicContact CB-CE2 3.91Å; L51-Y71 HydrophobicContact CD1-CD1 4.27Å; L51-Y71 HydrophobicContact CD1-CD2 4.12Å; L51-Y71 HydrophobicContact CD1-CE1 3.84Å; L51-Y71 HydrophobicContact CD1-CE2 3.69Å; L51-Y71 HydrophobicContact CD1-CG 4.43Å; L51-Y71 HydrophobicContact CG-CE2 4.36Å
52E68.9Low68.8Low94 Ų9475.5 Ų75.544%0.43941%0.409SS..Hα-helixtrans-73.2-38.4173.3-66.8-163.8144.600111.8K32 P48 V49 H54 F55 R56K32-E52 IonicContact NZ-OE1 2.78Å; K32-E52 PolarHBondContact NZ-OE1 2.75Å; P48-E52 WeakPolarHBondContact O-CG 3.39Å; P48-E52 PolarHBondContact O-N 2.97Å; V49-E52 PolarHBondContact O-N 3.45Å; V49-E52 VanDerWaalsContact O-N 3.17Å; E52-H54 VanDerWaalsContact C-N 3.34Å; E52-H54 PolarHBondContact O-N 3.18Å; E52-F55 CarbonylContact O-C 3.49Å; E52-F55 PolarHBondContact O-N 3.16Å; E52-R56 WeakPolarHBondContact O-CA 3.48Å; E52-R56 WeakPolarHBondContact O-CB 3.39Å; E52-R56 WeakPolarHBondContact O-CG 3.34Å; E52-R56 PolarHBondContact O-N 3.32Å
53E69.1Low68Low105 Ų10576.4 Ų76.449%0.49141%0.414SS..Hα-helixtrans-66.1-32.7175.1-76.3-175.1170.900113.3V49 F55 R56V49-E53 HydrophobicContact CG1-CG 4.2Å; V49-E53 WeakPolarHBondContact O-CB 3.35Å; V49-E53 WeakPolarHBondContact O-CG 3.29Å; V49-E53 PolarHBondContact O-N 3.09Å; E53-F55 PolarHBondContact O-N 3.39Å; E53-R56 VanDerWaalsContact CG-NH1 3.28Å; E53-R56 IonicContact OE1-CZ 3.19Å; E53-R56 VanDerWaalsContact OE1-CZ 3.3Å; E53-R56 IonicContact OE1-NH1 2.65Å; E53-R56 PolarHBondContact OE1-NH1 3.04Å; E53-R56 IonicContact OE1-NH2 2.78Å; E53-R56 PolarHBondContact OE1-NH2 3.33Å; E53-R56 VanDerWaalsContact OE1-NH2 3.15Å
54H72.3Confident67.4Low68 Ų6874.8 Ų74.832%0.31540%0.403SS..THydrogen-bonded Turntrans-72.9-15.1175.3-164.373000114A50 E52 Y71A50-H54 WeakPolarHBondContact O-CB 3.47Å; A50-H54 PolarHBondContact O-N 3.45Å; A50-H54 VanDerWaalsContact O-N 3.07Å; E52-H54 VanDerWaalsContact C-N 3.34Å; E52-H54 PolarHBondContact O-N 3.18Å; H54-Y71 HydrophobicContact CB-CD2 3.96Å; H54-Y71 AromaticContact CD2-CD2 3.97Å; H54-Y71 AromaticContact CG-CD2 3.97Å
55F70.3Confident66.4Low29 Ų2976.9 Ų76.913%0.12742%0.419CS..THydrogen-bonded Turntrans-130.521.5-179.2-65.5-59.8000112.9K28 L51 E52 E53 V63 Y68 Y71K28-F55 HydrophobicContact CD-CB 4.27Å; K28-F55 PolarHBondContact NZ-O 2.93Å; L51-F55 HydrophobicContact CD1-CD2 3.81Å; L51-F55 HydrophobicContact CD1-CE2 3.74Å; L51-F55 WeakPolarHBondContact O-CD2 3.47Å; E52-F55 CarbonylContact O-C 3.49Å; E52-F55 PolarHBondContact O-N 3.16Å; E53-F55 PolarHBondContact O-N 3.39Å; F55-V63 HydrophobicContact CD1-CG2 4.06Å; F55-V63 HydrophobicContact CE1-CB 4.49Å; F55-V63 HydrophobicContact CE1-CG1 3.75Å; F55-V63 HydrophobicContact CE1-CG2 3.92Å; F55-V63 HydrophobicContact CZ-CG1 4.21Å; F55-Y68 HydrophobicContact CZ-CD2 4.27Å; F55-Y71 HydrophobicContact CE2-CG 4.43Å
56R65.7Low66Low141 Ų14179.5 Ų79.553%0.53242%0.421SS..SBendtrans-68.2-43.1-160.6-142.2-178.4-149.115318.7113.5E52 E53E52-R56 WeakPolarHBondContact O-CA 3.48Å; E52-R56 WeakPolarHBondContact O-CB 3.39Å; E52-R56 WeakPolarHBondContact O-CG 3.34Å; E52-R56 PolarHBondContact O-N 3.32Å; E53-R56 VanDerWaalsContact CG-NH1 3.28Å; E53-R56 IonicContact OE1-CZ 3.19Å; E53-R56 VanDerWaalsContact OE1-CZ 3.3Å; E53-R56 IonicContact OE1-NH1 2.65Å; E53-R56 PolarHBondContact OE1-NH1 3.04Å; E53-R56 IonicContact OE1-NH2 2.78Å; E53-R56 PolarHBondContact OE1-NH2 3.33Å; E53-R56 VanDerWaalsContact OE1-NH2 3.15Å
57D57.3Low66.2Low125 Ų12577.5 Ų77.567%0.66842%0.419SS*.SBendtrans-136.9179.2-169.7-63.6-76.2000111.7D59D57-D59 PolarHBondContact O-N 3.44Å; D57-D59 VanDerWaalsContact O-N 3.11Å
58D54.8Low66.7Low178 Ų17874.5 Ų74.595%0.95240%0.403SS*.SBendtrans65.6-16.8173.7-67.8-11.3000121.1
59D55.9Low67.4Low106 Ų10674 Ų7457%0.56740%0.396SS*.  trans-148.2103.3178.1-154.1-16.5000113.7K28 D57 G61K28-D59 WeakPolarHBondContact CE-O 3.47Å; K28-D59 PolarHBondContact NZ-O 3.3Å; D57-D59 PolarHBondContact O-N 3.44Å; D57-D59 VanDerWaalsContact O-N 3.11Å; D59-G61 PolarHBondContact O-N 3.35Å; D59-G61 PolarHBondContact OD1-N 3.37Å; D59-G61 VanDerWaalsContact OD1-N 3.08Å
60D56.1Low68Low173 Ų17373.9 Ų73.993%0.92540%0.396SS*.  trans-75.5-4172.8-100.3-28.3000113
61G61.5Low68.7Low23 Ų2373.7 Ų73.724%0.23739%0.393CS..SBendtrans-72.2168.8-179.300000115D59D59-G61 PolarHBondContact O-N 3.35Å; D59-G61 PolarHBondContact OD1-N 3.37Å; D59-G61 VanDerWaalsContact OD1-N 3.08Å
62P62.8Low69.6Low58 Ų5873.5 Ų73.538%0.37739%0.392SS..PPolyproline II helixtrans-69132.4170.429.7-32.7000110.3K25 V26K25-P62 HydrophobicContact CB-CB 3.91Å; K25-P62 HydrophobicContact CB-CG 4.01Å; K25-P62 HydrophobicContact CD-CG 4.1Å; K25-P62 WeakPolarHBondContact CD-O 3.43Å; V26-P62 CarbonylContact O-C 3.54Å; V26-P62 WeakPolarHBondContact O-CA 3.48Å
63V71.6Confident70.4Confident18 Ų1871.8 Ų71.811%0.10939%0.386CS..EExtended strand (participates in β ladder)trans-77.4131.7-172.2173.30000110.2K25 V26 K28 L31 F55K25-V63 CarbonylContact C-O 3.56Å; K25-V63 VanDerWaalsContact CA-O 3.31Å; K25-V63 WeakPolarHBondContact CA-O 3.34Å; V26-V63 PolarHBondContact N-O 3Å; V26-V63 PolarHBondContact O-N 3.42Å; K28-V63 HydrophobicContact CD-CG2 4.49Å; K28-V63 HydrophobicContact CG-CG2 3.64Å; L31-V63 HydrophobicContact CD1-CB 3.74Å; L31-V63 HydrophobicContact CD1-CG1 3.96Å; L31-V63 HydrophobicContact CD1-CG2 4.46Å; F55-V63 HydrophobicContact CD1-CG2 4.06Å; F55-V63 HydrophobicContact CE1-CB 4.49Å; F55-V63 HydrophobicContact CE1-CG1 3.75Å; F55-V63 HydrophobicContact CE1-CG2 3.92Å; F55-V63 HydrophobicContact CZ-CG1 4.21Å
64S73.4Confident71Confident44 Ų4472.8 Ų72.831%0.30839%0.389SS..EExtended strand (participates in β ladder)trans-70.3158177.269.20000112.5G24 Q66 G67 Y68G24-S64 CarbonylContact O-C 3.53Å; G24-S64 VanDerWaalsContact O-CA 3.28Å; G24-S64 WeakPolarHBondContact O-CA 3.14Å; S64-Q66 PolarHBondContact O-N 3.35Å; S64-G67 WeakPolarHBondContact O-CA 3.49Å; S64-G67 PolarHBondContact O-N 2.98Å; S64-G67 PolarHBondContact OG-N 2.99Å; S64-G67 VanDerWaalsContact OG-N 3.12Å; S64-Y68 PolarHBondContact O-N 3.17Å
65S64.1Low71.5Confident55 Ų5571.9 Ų71.939%0.38538%0.383SS..Hα-helixtrans-50.8-40.8169.257.60000112.3F15 G24 G67 Y68 M69F15-S65 VanDerWaalsContact CZ-CA 3.43Å; G24-S65 PolarHBondContact O-N 3.44Å; S65-G67 VanDerWaalsContact C-N 3.31Å; S65-G67 PolarHBondContact O-N 3.25Å; S65-Y68 PolarHBondContact O-N 3.39Å; S65-M69 WeakPolarHBondContact O-CB 3.27Å; S65-M69 WeakPolarHBondContact O-CG 3.25Å; S65-M69 PolarHBondContact O-N 3.45Å
66Q69.5Low72.2Confident165 Ų16570.5 Ų70.577%0.77138%0.377SS*.Hα-helixtrans-67.2-27.4176.9-166.6172.34.600113.5S64 P70S64-Q66 PolarHBondContact O-N 3.35Å; Q66-P70 WeakPolarHBondContact O-CD 3.37Å
67G74.6Confident73.2Confident26 Ų2663.9 Ų63.927%0.26835%0.352SS..Hα-helixtrans-81.6-31.1173.400000114.1S64 S65S64-G67 WeakPolarHBondContact O-CA 3.49Å; S64-G67 PolarHBondContact O-N 2.98Å; S64-G67 PolarHBondContact OG-N 2.99Å; S64-G67 VanDerWaalsContact OG-N 3.12Å; S65-G67 VanDerWaalsContact C-N 3.31Å; S65-G67 PolarHBondContact O-N 3.25Å
68Y80.6Confident74.5Confident3 Ų361.9 Ų61.91%0.01234%0.341CS..Hα-helixtrans-81.1-30.2177.1-177.8-113.8000113.4F15 L31 L34 S35 F55 S64 S65 Y71 L72F15-Y68 AromaticContact CD2-CD1 3.49Å; F15-Y68 HydrophobicContact CD2-CD1 3.49Å; F15-Y68 VanDerWaalsContact CD2-CD1 3.49Å; F15-Y68 HydrophobicContact CD2-CE1 4Å; F15-Y68 HydrophobicContact CD2-CG 4.21Å; F15-Y68 AromaticContact CE2-CD1 3.64Å; F15-Y68 HydrophobicContact CE2-CD1 3.64Å; F15-Y68 AromaticContact CE2-CG 3.9Å; F15-Y68 HydrophobicContact CE2-CG 3.9Å; L31-Y68 HydrophobicContact CB-CD2 4.28Å; L31-Y68 HydrophobicContact CB-CE2 4.22Å; L31-Y68 HydrophobicContact CD1-CD2 3.88Å; L31-Y68 HydrophobicContact CD1-CG 4.09Å; L31-Y68 HydrophobicContact CD2-CD1 4.32Å; L31-Y68 HydrophobicContact CD2-CD2 4.16Å; L31-Y68 HydrophobicContact CD2-CE1 4.42Å; L31-Y68 HydrophobicContact CD2-CE2 4.27Å; L31-Y68 HydrophobicContact CD2-CG 4.18Å; L31-Y68 HydrophobicContact CG-CD2 4.34Å; L34-Y68 HydrophobicContact CD2-CE1 4.41Å; S35-Y68 PolarHBondContact OG-OH 2.73Å; F55-Y68 HydrophobicContact CZ-CD2 4.27Å; S64-Y68 PolarHBondContact O-N 3.17Å; S65-Y68 PolarHBondContact O-N 3.39Å; Y68-Y71 HydrophobicContact CD2-CD1 4.34Å; Y68-Y71 AromaticContact CE2-CD1 3.84Å; Y68-Y71 HydrophobicContact CE2-CD1 3.84Å; Y68-Y71 WeakPolarHBondContact O-CB 3.47Å; Y68-Y71 PolarHBondContact O-N 3.09Å; Y68-L72 HydrophobicContact CD1-CB 4.31Å; Y68-L72 HydrophobicContact CD1-CD2 4.47Å; Y68-L72 HydrophobicContact CE1-CB 4.05Å; Y68-L72 HydrophobicContact CE1-CD1 4.25Å; Y68-L72 HydrophobicContact CE1-CD2 4.08Å; Y68-L72 HydrophobicContact CE1-CG 4.36Å; Y68-L72 WeakPolarHBondContact O-CB 3.48Å; Y68-L72 PolarHBondContact O-N 3.44Å
69M81.5Confident76Confident57 Ų5757.8 Ų57.828%0.28132%0.315SS..Hα-helixtrans-56.9-42.9-179.3-78.9-74.1-172.600114.4L8 S65 Y71 L72 N73L8-M69 HydrophobicContact CD1-CE 4.02Å; L8-M69 HydrophobicContact CD1-SD 3.92Å; S65-M69 WeakPolarHBondContact O-CB 3.27Å; S65-M69 WeakPolarHBondContact O-CG 3.25Å; S65-M69 PolarHBondContact O-N 3.45Å; M69-Y71 PolarHBondContact O-N 3.33Å; M69-L72 PolarHBondContact O-N 3.36Å; M69-L72 HydrophobicContact SD-CD2 4.25Å; M69-N73 PolarHBondContact O-N 3.4Å; M69-N73 PolarHBondContact O-ND2 3.45Å
70P82.1Confident77.5Confident67 Ų6754 Ų5444%0.43530%0.296SS..Hα-helixtrans-58.9-42.7174.7-27.435.8000113.4Q66 K74Q66-P70 WeakPolarHBondContact O-CD 3.37Å; P70-K74 WeakPolarHBondContact O-CB 3.42Å; P70-K74 PolarHBondContact O-N 2.78Å; P70-K74 VanDerWaalsContact O-N 3.08Å
71Y83.4Confident78.7Confident6 Ų650.1 Ų50.12%0.02428%0.278CS..Hα-helixtrans-61.5-52.8174.3178.6-94.1000111.5L51 H54 F55 Y68 M69 N73 K74 Y75 I76L51-Y71 HydrophobicContact CB-CE2 3.91Å; L51-Y71 HydrophobicContact CD1-CD1 4.27Å; L51-Y71 HydrophobicContact CD1-CD2 4.12Å; L51-Y71 HydrophobicContact CD1-CE1 3.84Å; L51-Y71 HydrophobicContact CD1-CE2 3.69Å; L51-Y71 HydrophobicContact CD1-CG 4.43Å; L51-Y71 HydrophobicContact CG-CE2 4.36Å; H54-Y71 HydrophobicContact CB-CD2 3.96Å; H54-Y71 AromaticContact CD2-CD2 3.97Å; H54-Y71 AromaticContact CG-CD2 3.97Å; F55-Y71 HydrophobicContact CE2-CG 4.43Å; Y68-Y71 HydrophobicContact CD2-CD1 4.34Å; Y68-Y71 AromaticContact CE2-CD1 3.84Å; Y68-Y71 HydrophobicContact CE2-CD1 3.84Å; Y68-Y71 WeakPolarHBondContact O-CB 3.47Å; Y68-Y71 PolarHBondContact O-N 3.09Å; M69-Y71 PolarHBondContact O-N 3.33Å; Y71-N73 VanDerWaalsContact C-N 3.3Å; Y71-N73 PolarHBondContact O-N 3.14Å; Y71-K74 PolarHBondContact O-N 3.26Å; Y71-Y75 AromaticContact CD2-CD2 3.32Å; Y71-Y75 HydrophobicContact CD2-CD2 3.32Å; Y71-Y75 AromaticContact CD2-CE2 3.97Å; Y71-Y75 HydrophobicContact CD2-CE2 3.97Å; Y71-Y75 HydrophobicContact CD2-CG 4.12Å; Y71-Y75 AromaticContact CE2-CD2 3.51Å; Y71-Y75 HydrophobicContact CE2-CD2 3.51Å; Y71-Y75 HydrophobicContact CE2-CE2 4.32Å; Y71-Y75 AromaticContact CE2-CG 3.86Å; Y71-Y75 HydrophobicContact CE2-CG 3.86Å; Y71-Y75 HydrophobicContact CG-CD2 4.12Å; Y71-Y75 PolarHBondContact O-N 3.5Å; Y71-I76 HydrophobicContact CE1-CD1 3.88Å; Y71-I76 HydrophobicContact CE1-CG1 4.08Å
72L85.4Confident79.6Confident3 Ų355.7 Ų55.72%0.01630%0.298CS..Iπ-helixtrans-57.8-41.9-176.6178.464.8000111.7L8 I11 L38 Y68 M69 I76 L77L8-L72 HydrophobicContact CD1-CD2 3.69Å; I11-L72 HydrophobicContact CD1-CD1 4.42Å; I11-L72 HydrophobicContact CG2-CD1 4.12Å; I11-L72 HydrophobicContact CG2-CD2 3.76Å; L38-L72 HydrophobicContact CD1-CD1 4.28Å; Y68-L72 HydrophobicContact CD1-CB 4.31Å; Y68-L72 HydrophobicContact CD1-CD2 4.47Å; Y68-L72 HydrophobicContact CE1-CB 4.05Å; Y68-L72 HydrophobicContact CE1-CD1 4.25Å; Y68-L72 HydrophobicContact CE1-CD2 4.08Å; Y68-L72 HydrophobicContact CE1-CG 4.36Å; Y68-L72 WeakPolarHBondContact O-CB 3.48Å; Y68-L72 PolarHBondContact O-N 3.44Å; M69-L72 PolarHBondContact O-N 3.36Å; M69-L72 HydrophobicContact SD-CD2 4.25Å; L72-I76 HydrophobicContact CD1-CB 4.23Å; L72-I76 HydrophobicContact CD1-CD1 4.1Å; L72-I76 HydrophobicContact CD1-CG2 4.41Å; L72-I76 WeakPolarHBondContact O-CB 3.38Å; L72-I76 PolarHBondContact O-N 3.11Å; L72-L77 HydrophobicContact CD1-CG 4.42Å; L72-L77 HydrophobicContact CD2-CD1 4.43Å; L72-L77 HydrophobicContact CG-CD1 4.01Å; L72-L77 HydrophobicContact CG-CG 4.24Å; L72-L77 WeakPolarHBondContact O-CG 3.34Å; L72-L77 PolarHBondContact O-N 3.32Å
73N85.8Confident80.3Confident58 Ų5856.4 Ų56.431%0.3132%0.316SS..Iπ-helixtrans-67.1-61.1175.5-74.2-75000111.1M69 Y71 Y75 L77 D78M69-N73 PolarHBondContact O-N 3.4Å; M69-N73 PolarHBondContact O-ND2 3.45Å; Y71-N73 VanDerWaalsContact C-N 3.3Å; Y71-N73 PolarHBondContact O-N 3.14Å; N73-Y75 PolarHBondContact O-N 3.07Å; N73-L77 PolarHBondContact O-N 3.1Å; N73-D78 WeakPolarHBondContact O-CB 3.38Å; N73-D78 PolarHBondContact O-N 3.37Å
74K83.3Confident80.8Confident125 Ų12558.1 Ų58.154%0.54333%0.329SS..Iπ-helixtrans-66.4-37-169-173.6-175.5173.1-159.70114.6P70 Y71P70-K74 WeakPolarHBondContact O-CB 3.42Å; P70-K74 PolarHBondContact O-N 2.78Å; P70-K74 VanDerWaalsContact O-N 3.08Å; Y71-K74 PolarHBondContact O-N 3.26Å
75Y82.2Confident81.5Confident50 Ų5057.6 Ų57.620%0.19632%0.321CS..Iπ-helixtrans-108.3-17.5-170.4-61.1-70.5000114.5A50 Y71 N73 K79A50-Y75 HydrophobicContact CB-CD1 4.29Å; A50-Y75 HydrophobicContact CB-CE1 4.2Å; Y71-Y75 AromaticContact CD2-CD2 3.32Å; Y71-Y75 HydrophobicContact CD2-CD2 3.32Å; Y71-Y75 AromaticContact CD2-CE2 3.97Å; Y71-Y75 HydrophobicContact CD2-CE2 3.97Å; Y71-Y75 HydrophobicContact CD2-CG 4.12Å; Y71-Y75 AromaticContact CE2-CD2 3.51Å; Y71-Y75 HydrophobicContact CE2-CD2 3.51Å; Y71-Y75 HydrophobicContact CE2-CE2 4.32Å; Y71-Y75 AromaticContact CE2-CG 3.86Å; Y71-Y75 HydrophobicContact CE2-CG 3.86Å; Y71-Y75 HydrophobicContact CG-CD2 4.12Å; Y71-Y75 PolarHBondContact O-N 3.5Å; N73-Y75 PolarHBondContact O-N 3.07Å; Y75-K79 VanDerWaalsContact O-CD 3.3Å; Y75-K79 WeakPolarHBondContact O-CD 3.35Å
76I85.3Confident82.4Confident0 Ų058.6 Ų58.60%032%0.322CS..Iπ-helixtrans-112.8-70.1175.8-57.6-176.6000110L38 L42 I44 Y71 L72 D78 K79 V80L38-I76 HydrophobicContact CB-CD1 4.23Å; L42-I76 HydrophobicContact CD1-CG2 3.46Å; L42-I76 VanDerWaalsContact CD1-CG2 3.46Å; I44-I76 HydrophobicContact CD1-CG2 3.91Å; I44-I76 VanDerWaalsContact CD1-O 3.29Å; I44-I76 WeakPolarHBondContact CD1-O 3.28Å; Y71-I76 HydrophobicContact CE1-CD1 3.88Å; Y71-I76 HydrophobicContact CE1-CG1 4.08Å; L72-I76 HydrophobicContact CD1-CB 4.23Å; L72-I76 HydrophobicContact CD1-CD1 4.1Å; L72-I76 HydrophobicContact CD1-CG2 4.41Å; L72-I76 WeakPolarHBondContact O-CB 3.38Å; L72-I76 PolarHBondContact O-N 3.11Å; I76-D78 PolarHBondContact O-N 3.07Å; I76-K79 WeakPolarHBondContact O-CA 3.42Å; I76-K79 PolarHBondContact O-N 2.99Å; I76-V80 PolarHBondContact O-N 3.23Å
77L86.2Confident83.3Confident2 Ų253.2 Ų53.21%0.0130%0.296CS..G310 helixtrans-64.2-35-169.3-62.9175.2000113.6R4 L7 L8 I11 L72 N73 K79 V80R4-L77 HydrophobicContact CG-CB 4.13Å; L7-L77 HydrophobicContact CB-CD2 4.04Å; L7-L77 HydrophobicContact CD1-CD2 4.18Å; L8-L77 HydrophobicContact CD1-CD1 4.14Å; I11-L77 HydrophobicContact CD1-CD2 4.08Å; L72-L77 HydrophobicContact CD1-CG 4.42Å; L72-L77 HydrophobicContact CD2-CD1 4.43Å; L72-L77 HydrophobicContact CG-CD1 4.01Å; L72-L77 HydrophobicContact CG-CG 4.24Å; L72-L77 WeakPolarHBondContact O-CG 3.34Å; L72-L77 PolarHBondContact O-N 3.32Å; N73-L77 PolarHBondContact O-N 3.1Å; L77-K79 PolarHBondContact O-N 3.4Å; L77-V80 WeakPolarHBondContact O-CB 3.48Å; L77-V80 PolarHBondContact O-N 3.38Å
78D85.6Confident84Confident83 Ų8356 Ų5644%0.44430%0.302SS..G310 helixtrans-73.2-12.8174.4-74.3-29.8000114.1R4 N73 I76R4-D78 IonicContact CZ-OD1 2.62Å; R4-D78 IonicContact NE-OD1 3.04Å; R4-D78 PolarHBondContact NE-OD1 3.47Å; R4-D78 IonicContact NH2-OD1 3.8Å; R4-D78 PolarHBondContact NH2-OD1 3.16Å; N73-D78 WeakPolarHBondContact O-CB 3.38Å; N73-D78 PolarHBondContact O-N 3.37Å; I76-D78 PolarHBondContact O-N 3.07Å
79K85.9Confident84.4Confident91 Ų9159.4 Ų59.440%0.39632%0.32SS..G310 helixtrans-98.3-1.1173.2-60.6-170.6-171.8170.70113.3I44 Y75 I76 L77I44-K79 HydrophobicContact CD1-CB 4.22Å; I44-K79 HydrophobicContact CG1-CB 4.35Å; I44-K79 HydrophobicContact CG2-CB 3.94Å; I44-K79 HydrophobicContact CG2-CD 3.89Å; Y75-K79 VanDerWaalsContact O-CD 3.3Å; Y75-K79 WeakPolarHBondContact O-CD 3.35Å; I76-K79 WeakPolarHBondContact O-CA 3.42Å; I76-K79 PolarHBondContact O-N 2.99Å; L77-K79 PolarHBondContact O-N 3.4Å
80V86.1Confident84.9Confident27 Ų2756.7 Ų56.716%0.16431%0.307CS..  trans-71.8129.5177.6176.30000110.2L3 L7 L42 I44 I76 L77 F85L3-V80 HydrophobicContact CD2-CG1 3.73Å; L3-V80 HydrophobicContact CG-CG1 4.39Å; L7-V80 HydrophobicContact CD1-CG1 3.99Å; L7-V80 HydrophobicContact CD1-CG2 4.04Å; L42-V80 HydrophobicContact CD1-CG2 4.02Å; L42-V80 HydrophobicContact CD2-CG2 4.18Å; I44-V80 HydrophobicContact CD1-CG2 3.97Å; I76-V80 PolarHBondContact O-N 3.23Å; L77-V80 WeakPolarHBondContact O-CB 3.48Å; L77-V80 PolarHBondContact O-N 3.38Å; V80-F85 HydrophobicContact CG1-CD1 4.11Å; V80-F85 HydrophobicContact CG1-CE1 3.35Å; V80-F85 HydrophobicContact CG1-CZ 3.88Å
81V82.4Confident85.3Confident91 Ų9153.7 Ų53.755%0.55229%0.287SS*.  trans-109.5130.5172.6-178.90000109G83 S84 F85V81-G83 PolarHBondContact O-N 3.07Å; V81-S84 PolarHBondContact O-N 3.5Å; V81-S84 PolarHBondContact O-OG 3.23Å; V81-F85 WeakPolarHBondContact O-CD1 3.49Å; V81-F85 WeakPolarHBondContact O-CE1 3.38Å
82E79.3Confident85.8Confident141 Ų14158.6 Ų58.666%0.65931%0.311SS*.THydrogen-bonded Turntrans-64.1126.7178.7-166.7166.3-159.400110.4L3L3-E82 HydrophobicContact CD2-CB 3.88Å; L3-E82 HydrophobicContact CD2-CG 4.12Å
83G77.9Confident86.1Confident73 Ų7360 Ų6075%0.75332%0.318SS*.THydrogen-bonded Turntrans86.1-2-176.900000116.4V81 F85V81-G83 PolarHBondContact O-N 3.07Å; G83-F85 VanDerWaalsContact C-N 3.31Å
84S82.9Confident86.3Confident54 Ų5457.2 Ų57.238%0.37830%0.303SS..SBendtrans-82.1-5.6174.572.30000114.5S43 V81S43-S84 WeakPolarHBondContact CB-O 3.3Å; S43-S84 PolarHBondContact OG-O 3.44Å; V81-S84 PolarHBondContact O-N 3.5Å; V81-S84 PolarHBondContact O-OG 3.23Å
85F86.4Confident86.8Confident32 Ų3251.6 Ų51.614%0.1428%0.278CS..SBendtrans-149.4162.6-17270-79.5000111.3L3 L7 L42 V80 V81 G83 K87 V90L3-F85 HydrophobicContact CD1-CZ 4.28Å; L3-F85 HydrophobicContact CD2-CE1 4.18Å; L3-F85 HydrophobicContact CD2-CZ 4.24Å; L7-F85 HydrophobicContact CD1-CZ 4.12Å; L7-F85 HydrophobicContact CD2-CE2 3.96Å; L7-F85 HydrophobicContact CD2-CZ 4.25Å; L42-F85 HydrophobicContact CD2-CD1 4.39Å; L42-F85 HydrophobicContact CD2-CD2 3.68Å; L42-F85 HydrophobicContact CD2-CE1 4.45Å; L42-F85 HydrophobicContact CD2-CE2 3.74Å; L42-F85 HydrophobicContact CD2-CG 4.03Å; L42-F85 HydrophobicContact CD2-CZ 4.14Å; V80-F85 HydrophobicContact CG1-CD1 4.11Å; V80-F85 HydrophobicContact CG1-CE1 3.35Å; V80-F85 HydrophobicContact CG1-CZ 3.88Å; V81-F85 WeakPolarHBondContact O-CD1 3.49Å; V81-F85 WeakPolarHBondContact O-CE1 3.38Å; G83-F85 VanDerWaalsContact C-N 3.31Å; F85-K87 HydrophobicContact CE2-CB 4.21Å; F85-V90 HydrophobicContact CD2-CG2 4.08Å; F85-V90 HydrophobicContact CE2-CG2 4.27Å
86N85Confident87.1Confident77 Ų7752 Ų5241%0.41229%0.286SS..  trans-96.2123168.9-17517.5000110.4E88 N89N86-E88 VanDerWaalsContact C-N 3.33Å; N86-E88 PolarHBondContact O-N 2.63Å; N86-E88 PolarHBondContact OD1-N 3.21Å; N86-N89 PolarHBondContact ND2-OD1 3.15Å; N86-N89 PolarHBondContact O-N 3.41Å
87K87.3Confident87.2Confident51 Ų5154.5 Ų54.522%0.22230%0.299CS..Hα-helixtrans-63.2-37.3178.1-173-175.7172.8-174.90112.3E6 L7 F85 N89 V90 D91E6-K87 IonicContact OE2-NZ 2.64Å; E6-K87 PolarHBondContact OE2-NZ 3.36Å; L7-K87 HydrophobicContact CD2-CG 4.37Å; F85-K87 HydrophobicContact CE2-CB 4.21Å; K87-N89 PolarHBondContact O-N 3.18Å; K87-V90 WeakPolarHBondContact O-CA 3.42Å; K87-V90 WeakPolarHBondContact O-CB 3.5Å; K87-V90 PolarHBondContact O-N 2.62Å; K87-D91 PolarHBondContact O-N 2.86Å
88E88.8Confident87.2Confident86 Ų8654.4 Ų54.440%0.40230%0.298SS..Hα-helixtrans-58.5-34-179.8-173.7172.2-14900111.9N86 D91 E92 F119 Y207N86-E88 VanDerWaalsContact C-N 3.33Å; N86-E88 PolarHBondContact O-N 2.63Å; N86-E88 PolarHBondContact OD1-N 3.21Å; E88-D91 PolarHBondContact O-N 3.46Å; E88-E92 WeakPolarHBondContact O-CB 3.46Å; E88-E92 PolarHBondContact O-N 3.3Å; E88-F119 HydrophobicContact CG-CE1 4.36Å; E88-F119 HydrophobicContact CG-CZ 4.38Å; E88-Y207 WeakPolarHBondContact CG-OH 3.38Å; E88-Y207 PolarHBondContact OE1-OH 2.89Å; E88-Y207 VanDerWaalsContact OE1-OH 3.09Å
89N89.9Confident87.2Confident73 Ų7350.7 Ų50.739%0.3928%0.28SS..Hα-helixtrans-68-33.9174.7-59.422.8000112.5V41 N86 K87 L93V41-N89 HydrophobicContact CG1-CB 3.44Å; V41-N89 VanDerWaalsContact CG1-CB 3.44Å; N86-N89 PolarHBondContact ND2-OD1 3.15Å; N86-N89 PolarHBondContact O-N 3.41Å; K87-N89 PolarHBondContact O-N 3.18Å; N89-L93 WeakPolarHBondContact O-CB 3.47Å; N89-L93 PolarHBondContact O-N 3.46Å; N89-L93 VanDerWaalsContact O-N 3.07Å
90V91Very high86.8Confident0 Ų054.3 Ų54.30%030%0.295CS..Hα-helixtrans-70.9-44.5176.5-173.90000109.2L7 L38 V41 L42 F85 K87 E92 L93 C94L7-V90 HydrophobicContact CD2-CB 4.46Å; L7-V90 HydrophobicContact CD2-CG1 4.23Å; L7-V90 HydrophobicContact CD2-CG2 4.35Å; L38-V90 HydrophobicContact CD2-CG1 4.13Å; V41-V90 HydrophobicContact CG1-CB 4.34Å; V41-V90 HydrophobicContact CG1-CG2 3.63Å; L42-V90 HydrophobicContact CD2-CG2 3.68Å; L42-V90 HydrophobicContact CG-CG2 4.26Å; F85-V90 HydrophobicContact CD2-CG2 4.08Å; F85-V90 HydrophobicContact CE2-CG2 4.27Å; K87-V90 WeakPolarHBondContact O-CA 3.42Å; K87-V90 WeakPolarHBondContact O-CB 3.5Å; K87-V90 PolarHBondContact O-N 2.62Å; V90-E92 VanDerWaalsContact C-N 3.34Å; V90-E92 PolarHBondContact O-N 3.05Å; V90-L93 PolarHBondContact O-N 3.23Å; V90-C94 WeakPolarHBondContact O-CB 3.49Å; V90-C94 PolarHBondContact O-N 3.28Å; V90-C94 PolarHBondContact O-SG 3.46Å; V90-C94 VanDerWaalsContact O-SG 3.37Å
91D92.2Very high86.3Confident4 Ų456.6 Ų56.62%0.02130%0.303CS..Hα-helixtrans-60.6-43.1175.8-70.4-29.4000110.7S10 K87 E88 C94 W95 F119 W122S10-D91 VanDerWaalsContact CB-OD1 3.23Å; S10-D91 WeakPolarHBondContact CB-OD1 3.48Å; S10-D91 PolarHBondContact OG-OD1 3.17Å; K87-D91 PolarHBondContact O-N 2.86Å; E88-D91 PolarHBondContact O-N 3.46Å; D91-C94 PolarHBondContact O-N 3.34Å; D91-W95 WeakPolarHBondContact O-CB 3.43Å; D91-W95 PolarHBondContact O-N 3.25Å; D91-F119 HydrophobicContact CB-CE2 4.04Å; D91-F119 HydrophobicContact CB-CZ 4.11Å; D91-W122 HydrophobicContact CB-CZ3 4Å; D91-W122 VanDerWaalsContact O-CZ3 3.31Å; D91-W122 WeakPolarHBondContact O-CZ3 3.48Å
92E92.4Very high86.2Confident110 Ų11055.6 Ų55.651%0.51430%0.295SS..Hα-helixtrans-64.6-41.6176.4-176.1177.3-146.900112.9E88 V90 W95 T96 F119E88-E92 WeakPolarHBondContact O-CB 3.46Å; E88-E92 PolarHBondContact O-N 3.3Å; V90-E92 VanDerWaalsContact C-N 3.34Å; V90-E92 PolarHBondContact O-N 3.05Å; E92-W95 PolarHBondContact O-N 3.5Å; E92-T96 VanDerWaalsContact O-CB 3.27Å; E92-T96 WeakPolarHBondContact O-CB 3.48Å; E92-T96 PolarHBondContact O-N 3.43Å; E92-T96 PolarHBondContact O-OG1 3.11Å; E92-F119 HydrophobicContact CB-CE2 4.36Å; E92-F119 HydrophobicContact CB-CZ 4.13Å
93L91.4Very high86.3Confident31 Ų3150.2 Ų50.216%0.16227%0.268CS..Hα-helixtrans-59.3-47.9173.4171.363.2000111N37 L38 V41 N89 V90 T96 L97N37-L93 HydrophobicContact CB-CD1 4.09Å; N37-L93 HydrophobicContact CB-CD2 3.81Å; L38-L93 HydrophobicContact CD2-CD2 4.04Å; L38-L93 HydrophobicContact CG-CD2 4.4Å; V41-L93 HydrophobicContact CG2-CD2 4.17Å; N89-L93 WeakPolarHBondContact O-CB 3.47Å; N89-L93 PolarHBondContact O-N 3.46Å; N89-L93 VanDerWaalsContact O-N 3.07Å; V90-L93 PolarHBondContact O-N 3.23Å; L93-T96 PolarHBondContact O-N 3.15Å; L93-L97 HydrophobicContact CD1-CD1 4.5Å; L93-L97 WeakPolarHBondContact O-CG 3.42Å; L93-L97 PolarHBondContact O-N 3.33Å
94C91.7Very high86.2Confident0 Ų054.5 Ų54.50%027%0.269CS..Hα-helixtrans-67.6-40.4179.6-710000112.4S10 V90 D91 L97 T98 W122S10-C94 VanDerWaalsContact C-SG 3.51Å; S10-C94 VanDerWaalsContact O-CB 3.27Å; S10-C94 WeakPolarHBondContact O-CB 3.41Å; S10-C94 PolarHBondContact O-SG 3.07Å; V90-C94 WeakPolarHBondContact O-CB 3.49Å; V90-C94 PolarHBondContact O-N 3.28Å; V90-C94 PolarHBondContact O-SG 3.46Å; V90-C94 VanDerWaalsContact O-SG 3.37Å; D91-C94 PolarHBondContact O-N 3.34Å; C94-L97 PolarHBondContact O-N 3.39Å; C94-T98 WeakPolarHBondContact O-CB 3.33Å; C94-T98 PolarHBondContact O-N 3.05Å; C94-T98 VanDerWaalsContact O-N 3.12Å; C94-T98 PolarHBondContact O-OG1 2.99Å; C94-W122 HydrophobicContact CB-CH2 3.8Å; C94-W122 HydrophobicContact CB-CZ2 4.38Å
95W92.1Very high85.8Confident8 Ų853.5 Ų53.53%0.0326%0.261CS..Hα-helixtrans-59.7-48.5172.2176.6-110000111.5D91 E92 L97 T98 A99 Y103 D115 A118 F119 W122 W179 L182D91-W95 WeakPolarHBondContact O-CB 3.43Å; D91-W95 PolarHBondContact O-N 3.25Å; E92-W95 PolarHBondContact O-N 3.5Å; W95-L97 PolarHBondContact O-N 3.38Å; W95-T98 PolarHBondContact O-N 3.49Å; W95-A99 HydrophobicContact CD2-CB 3.67Å; W95-A99 VanDerWaalsContact CE2-CB 3.44Å; W95-A99 HydrophobicContact CE3-CB 3.93Å; W95-A99 HydrophobicContact CG-CB 4.28Å; W95-A99 HydrophobicContact CH2-CB 3.82Å; W95-A99 HydrophobicContact CZ2-CB 3.54Å; W95-A99 HydrophobicContact CZ3-CB 4Å; W95-A99 VanDerWaalsContact O-CB 3.28Å; W95-A99 WeakPolarHBondContact O-CB 3.48Å; W95-A99 PolarHBondContact O-N 3.4Å; W95-Y103 AromaticContact CH2-CD1 3.99Å; W95-Y103 HydrophobicContact CH2-CD1 3.99Å; W95-Y103 HydrophobicContact CH2-CG 4Å; W95-Y103 AromaticContact CZ2-CD1 3.97Å; W95-Y103 HydrophobicContact CZ2-CD1 3.97Å; W95-Y103 HydrophobicContact CZ2-CE1 4.45Å; W95-Y103 HydrophobicContact CZ2-CG 4.42Å; W95-D115 PolarHBondContact NE1-OD2 3.01Å; W95-A118 HydrophobicContact CH2-CB 3.83Å; W95-A118 HydrophobicContact CZ2-CB 3.73Å; W95-F119 HydrophobicContact CB-CD2 3.6Å; W95-F119 HydrophobicContact CB-CE2 3.93Å; W95-F119 AromaticContact CD1-CD2 3.77Å; W95-F119 HydrophobicContact CD2-CB 4.2Å; W95-F119 HydrophobicContact CD2-CD2 4.07Å; W95-F119 HydrophobicContact CG-CB 4.23Å; W95-F119 AromaticContact CG-CD2 3.52Å; W95-F119 HydrophobicContact CG-CD2 3.52Å; W95-F119 HydrophobicContact CG-CE2 4.33Å; W95-F119 HydrophobicContact CG-CG 4.27Å; W95-W122 HydrophobicContact CB-CE3 4.27Å; W95-W122 HydrophobicContact CB-CZ3 4.17Å; W95-W122 HydrophobicContact CE3-CB 3.71Å; W95-W122 AromaticContact CE3-CD1 3.87Å; W95-W122 AromaticContact CE3-CD2 3.69Å; W95-W122 HydrophobicContact CE3-CD2 3.69Å; W95-W122 HydrophobicContact CE3-CE3 4.12Å; W95-W122 AromaticContact CE3-CG 3.48Å; W95-W122 HydrophobicContact CE3-CG 3.48Å; W95-W122 VanDerWaalsContact CE3-CG 3.48Å; W95-W122 HydrophobicContact CH2-CB 4.39Å; W95-W122 HydrophobicContact CZ3-CB 3.5Å; W95-W122 VanDerWaalsContact CZ3-CB 3.5Å; W95-W122 AromaticContact CZ3-CD1 3.76Å; W95-W122 HydrophobicContact CZ3-CD2 4.28Å; W95-W122 AromaticContact CZ3-CG 3.58Å; W95-W122 HydrophobicContact CZ3-CG 3.58Å; W95-W179 HydrophobicContact CZ3-CZ3 4.45Å; W95-L182 HydrophobicContact CH2-CD1 4.02Å; W95-L182 HydrophobicContact CZ3-CD1 4.16Å
96T89.1Confident85.1Confident58 Ų5856.9 Ų56.936%0.35628%0.281SS..Hα-helixtrans-59.6-31-178.3-62.40000113.2E92 L93 K100E92-T96 VanDerWaalsContact O-CB 3.27Å; E92-T96 WeakPolarHBondContact O-CB 3.48Å; E92-T96 PolarHBondContact O-N 3.43Å; E92-T96 PolarHBondContact O-OG1 3.11Å; L93-T96 PolarHBondContact O-N 3.15Å; T96-K100 VanDerWaalsContact O-CD 3.26Å; T96-K100 WeakPolarHBondContact O-CD 3.37Å; T96-K100 WeakPolarHBondContact O-CE 3.12Å; T96-K100 WeakPolarHBondContact O-CG 3.46Å
97L86.8Confident84.1Confident52 Ų5264.6 Ų64.627%0.27230%0.304SS..Hα-helixtrans-77.1-40.3173.3-68.3170.1000112.5A17 L34 L93 C94 W95A17-L97 HydrophobicContact CB-CB 4.5Å; L34-L97 HydrophobicContact CD1-CD1 3.76Å; L93-L97 HydrophobicContact CD1-CD1 4.5Å; L93-L97 WeakPolarHBondContact O-CG 3.42Å; L93-L97 PolarHBondContact O-N 3.33Å; C94-L97 PolarHBondContact O-N 3.39Å; W95-L97 PolarHBondContact O-N 3.38Å
98T86.9Confident82.7Confident0 Ų066.8 Ų66.80%033%0.326CS..Hα-helixtrans-87.6-46.2-168.5-440000112.9Y13 A17 C94 W95 K100 K101 N102 W179Y13-T98 VanDerWaalsContact C-OG1 3.27Å; Y13-T98 HydrophobicContact CD1-CG2 4.08Å; Y13-T98 HydrophobicContact CG-CG2 4.46Å; Y13-T98 PolarHBondContact O-OG1 3.34Å; A17-T98 HydrophobicContact CB-CG2 4.13Å; C94-T98 WeakPolarHBondContact O-CB 3.33Å; C94-T98 PolarHBondContact O-N 3.05Å; C94-T98 VanDerWaalsContact O-N 3.12Å; C94-T98 PolarHBondContact O-OG1 2.99Å; W95-T98 PolarHBondContact O-N 3.49Å; T98-K100 VanDerWaalsContact C-N 3.34Å; T98-K100 PolarHBondContact O-N 3.38Å; T98-K101 PolarHBondContact O-N 3Å; T98-N102 PolarHBondContact O-N 3.39Å; T98-W179 HydrophobicContact CG2-CH2 3.45Å; T98-W179 VanDerWaalsContact CG2-CH2 3.45Å; T98-W179 HydrophobicContact CG2-CZ2 3.46Å; T98-W179 VanDerWaalsContact CG2-CZ2 3.46Å
99A84.9Confident81.5Confident6 Ų664.8 Ų64.85%0.0532%0.321CS..Hα-helixtrans-61.6-40.3-175.900000112.2W95 K101 N102 Y103W95-A99 HydrophobicContact CD2-CB 3.67Å; W95-A99 VanDerWaalsContact CE2-CB 3.44Å; W95-A99 HydrophobicContact CE3-CB 3.93Å; W95-A99 HydrophobicContact CG-CB 4.28Å; W95-A99 HydrophobicContact CH2-CB 3.82Å; W95-A99 HydrophobicContact CZ2-CB 3.54Å; W95-A99 HydrophobicContact CZ3-CB 4Å; W95-A99 VanDerWaalsContact O-CB 3.28Å; W95-A99 WeakPolarHBondContact O-CB 3.48Å; W95-A99 PolarHBondContact O-N 3.4Å; A99-K101 PolarHBondContact O-N 3.2Å; A99-N102 PolarHBondContact O-N 2.99Å; A99-Y103 WeakPolarHBondContact O-CA 3.31Å; A99-Y103 WeakPolarHBondContact O-CB 3.49Å; A99-Y103 PolarHBondContact O-N 2.73Å
100K78.3Confident80.2Confident166 Ų16668.7 Ų68.772%0.72234%0.34SS*.Hα-helixtrans-56.8-21.9178.7-70.7-178-175171.30114.6T96 T98T96-K100 VanDerWaalsContact O-CD 3.26Å; T96-K100 WeakPolarHBondContact O-CD 3.37Å; T96-K100 WeakPolarHBondContact O-CE 3.12Å; T96-K100 WeakPolarHBondContact O-CG 3.46Å; T98-K100 VanDerWaalsContact C-N 3.34Å; T98-K100 PolarHBondContact O-N 3.38Å
101K76.5Confident79Confident75 Ų7570.3 Ų70.333%0.32635%0.352SS..Hα-helixtrans-103.1-47.6176.1-64.5-175.3-178.9-175.80111.9A17 T98 A99 Q104A17-K101 VanDerWaalsContact O-CD 3.23Å; A17-K101 WeakPolarHBondContact O-CD 3.36Å; A17-K101 WeakPolarHBondContact O-CE 3.43Å; A17-K101 PolarHBondContact O-NZ 3.16Å; T98-K101 PolarHBondContact O-N 3Å; A99-K101 PolarHBondContact O-N 3.2Å; K101-Q104 PolarHBondContact O-NE2 3.41Å
102N79.8Confident78.5Confident71 Ų7171.8 Ų71.838%0.3836%0.361SS..Hα-helixtrans-100.2-19.7-165.1-60.4-1.6000114T98 A99 W179T98-N102 PolarHBondContact O-N 3.39Å; A99-N102 PolarHBondContact O-N 2.99Å; N102-W179 HydrophobicContact CB-CD2 3.85Å; N102-W179 HydrophobicContact CB-CE3 3.86Å; N102-W179 HydrophobicContact CB-CH2 3.71Å; N102-W179 HydrophobicContact CB-CZ2 3.63Å; N102-W179 HydrophobicContact CB-CZ3 3.8Å; N102-W179 WeakPolarHBondContact ND2-CZ2 3.33Å
103Y82.1Confident78Confident27 Ų2767.3 Ų67.311%0.10634%0.341CS..  trans-102.486.2179.1-172.9-120000110.4W95 A99 P105 A118 L182 N186W95-Y103 AromaticContact CH2-CD1 3.99Å; W95-Y103 HydrophobicContact CH2-CD1 3.99Å; W95-Y103 HydrophobicContact CH2-CG 4Å; W95-Y103 AromaticContact CZ2-CD1 3.97Å; W95-Y103 HydrophobicContact CZ2-CD1 3.97Å; W95-Y103 HydrophobicContact CZ2-CE1 4.45Å; W95-Y103 HydrophobicContact CZ2-CG 4.42Å; A99-Y103 WeakPolarHBondContact O-CA 3.31Å; A99-Y103 WeakPolarHBondContact O-CB 3.49Å; A99-Y103 PolarHBondContact O-N 2.73Å; Y103-P105 VanDerWaalsContact C-CD 3.4Å; Y103-P105 HydrophobicContact CD1-CG 4.4Å; Y103-P105 HydrophobicContact CE1-CG 3.87Å; Y103-P105 HydrophobicContact CE2-CB 4.38Å; Y103-P105 HydrophobicContact CE2-CG 4.33Å; Y103-P105 VanDerWaalsContact O-CD 3.24Å; Y103-P105 WeakPolarHBondContact O-CD 3.47Å; Y103-A118 HydrophobicContact CD1-CB 4.23Å; Y103-A118 HydrophobicContact CE1-CB 3.47Å; Y103-A118 VanDerWaalsContact CE1-CB 3.47Å; Y103-A118 HydrophobicContact CE2-CB 4.25Å; Y103-A118 VanDerWaalsContact CZ-CB 3.49Å; Y103-L182 HydrophobicContact CD2-CB 4.31Å; Y103-L182 HydrophobicContact CD2-CD1 3.95Å; Y103-L182 HydrophobicContact CE2-CB 3.99Å; Y103-L182 HydrophobicContact CE2-CD1 4.16Å; Y103-N186 WeakPolarHBondContact CE2-ND2 3.31Å; Y103-N186 PolarHBondContact OH-ND2 3.07Å; Y103-N186 PolarHBondContact OH-OD1 3.19Å
104Q74.8Confident77.9Confident163 Ų16368.7 Ų68.776%0.76235%0.352SS*.  trans-114.574.7176.6-59.6-174.436.600109.6K101K101-Q104 PolarHBondContact O-NE2 3.41Å
105P74.4Confident77.7Confident33 Ų3373.3 Ų73.321%0.21438%0.376CS..  trans-64.3139175.428.8-35.2000110.2Y103 R107 V112Y103-P105 VanDerWaalsContact C-CD 3.4Å; Y103-P105 HydrophobicContact CD1-CG 4.4Å; Y103-P105 HydrophobicContact CE1-CG 3.87Å; Y103-P105 HydrophobicContact CE2-CB 4.38Å; Y103-P105 HydrophobicContact CE2-CG 4.33Å; Y103-P105 VanDerWaalsContact O-CD 3.24Å; Y103-P105 WeakPolarHBondContact O-CD 3.47Å; P105-R107 PolarHBondContact O-N 2.98Å; P105-V112 HydrophobicContact CB-CG1 3.89Å; P105-V112 HydrophobicContact CB-CG2 4.14Å; P105-V112 HydrophobicContact CG-CG1 3.99Å
106D71.3Confident77.7Confident104 Ų10479.7 Ų79.756%0.55640%0.4SS*.  trans-63107.1177-180-5.2000110.3S108 S109 V112D106-S108 PolarHBondContact O-N 3.49Å; D106-S108 VanDerWaalsContact O-N 3.12Å; D106-S108 VanDerWaalsContact OD1-CB 3.32Å; D106-S108 WeakPolarHBondContact OD1-CB 3.24Å; D106-S108 PolarHBondContact OD1-N 3.42Å; D106-S108 PolarHBondContact OD1-OG 3.28Å; D106-S108 PolarHBondContact OD2-OG 3.15Å; D106-S108 VanDerWaalsContact OD2-OG 3.11Å; D106-S109 WeakPolarHBondContact O-CB 3.38Å; D106-S109 PolarHBondContact O-N 3.12Å; D106-V112 WeakPolarHBondContact O-CG2 3.42Å
107R64.3Low77.8Confident238 Ų23877 Ų7790%0.89838%0.384SS*.THydrogen-bonded Turntrans-67.1-9.3-177.2-62.2-175.5179.1-171.4-0.8113.8P105P105-R107 PolarHBondContact O-N 2.98Å
108S58.8Low78.1Confident97 Ų9774.5 Ų74.568%0.67837%0.371SS*.THydrogen-bonded Turntrans-80.8-19170.4760000112.9D106D106-S108 PolarHBondContact O-N 3.49Å; D106-S108 VanDerWaalsContact O-N 3.12Å; D106-S108 VanDerWaalsContact OD1-CB 3.32Å; D106-S108 WeakPolarHBondContact OD1-CB 3.24Å; D106-S108 PolarHBondContact OD1-N 3.42Å; D106-S108 PolarHBondContact OD1-OG 3.28Å; D106-S108 PolarHBondContact OD2-OG 3.15Å; D106-S108 VanDerWaalsContact OD2-OG 3.11Å
109S63Low78.5Confident44 Ų4475.6 Ų75.631%0.30838%0.375SS..  trans-75.1129.7179.6179.50000112.4D106 S111 V112D106-S109 WeakPolarHBondContact O-CB 3.38Å; D106-S109 PolarHBondContact O-N 3.12Å; S109-S111 PolarHBondContact O-N 3.02Å; S109-S111 PolarHBondContact OG-N 2.72Å; S109-S111 PolarHBondContact OG-OG 3.01Å; S109-V112 WeakPolarHBondContact O-CG2 3.47Å
110I62.3Low79Confident155 Ų15575.6 Ų75.680%0.79537%0.374SS*.THydrogen-bonded Turntrans-64.3-26.5175.9-62.3174000111V112 K196I110-V112 PolarHBondContact O-N 3.46Å; I110-K196 WeakPolarHBondContact O-CE 3.45Å; I110-K196 PolarHBondContact O-NZ 2.94Å
111S67.1Low79.8Confident35 Ų3567.7 Ų67.725%0.24534%0.34CS..THydrogen-bonded Turntrans-9010.5-175.1540000115.7S109 L113 N186S109-S111 PolarHBondContact O-N 3.02Å; S109-S111 PolarHBondContact OG-N 2.72Å; S109-S111 PolarHBondContact OG-OG 3.01Å; S111-L113 PolarHBondContact O-N 3.32Å; S111-N186 WeakPolarHBondContact CB-O 3.21Å; S111-N186 PolarHBondContact OG-O 3.47Å
112V79.8Confident80.7Confident34 Ų3464.1 Ų64.121%0.20632%0.324CS..PPolyproline II helixtrans-58.1132.3177.5175.20000112P105 D106 S109 I110 N186 K196P105-V112 HydrophobicContact CB-CG1 3.89Å; P105-V112 HydrophobicContact CB-CG2 4.14Å; P105-V112 HydrophobicContact CG-CG1 3.99Å; D106-V112 WeakPolarHBondContact O-CG2 3.42Å; S109-V112 WeakPolarHBondContact O-CG2 3.47Å; I110-V112 PolarHBondContact O-N 3.46Å; V112-N186 WeakPolarHBondContact CA-OD1 3.42Å; V112-K196 PolarHBondContact O-NZ 3.36Å
113L83.8Confident81.5Confident17 Ų1760.9 Ų60.99%0.08931%0.307CS..PPolyproline II helixtrans-71.7143.2175.2-70.2169.2000111.9S111 L121 M185 N186 I203S111-L113 PolarHBondContact O-N 3.32Å; L113-L121 HydrophobicContact CD1-CD1 3.57Å; L113-L121 HydrophobicContact CD2-CD1 4.39Å; L113-M185 HydrophobicContact CD1-CB 3.83Å; L113-N186 PolarHBondContact N-OD1 2.99Å; L113-I203 HydrophobicContact CD2-CD1 4.23Å
114P88.1Confident82.1Confident60 Ų6059.6 Ų59.639%0.3930%0.302SS..PPolyproline II helixtrans-57144.9164-22.534.4000111.8R116 D117 A118P114-R116 VanDerWaalsContact C-N 3.26Å; P114-R116 PolarHBondContact O-N 3.16Å; P114-D117 HydrophobicContact CB-CB 4.48Å; P114-D117 WeakPolarHBondContact CG-OD2 3.41Å; P114-D117 WeakPolarHBondContact O-CA 3.27Å; P114-D117 PolarHBondContact O-N 3.16Å; P114-A118 PolarHBondContact O-N 3.43Å
115D88.3Confident83.1Confident97 Ų9751.8 Ų51.852%0.51927%0.266SS..Hα-helixtrans-58-38.6-179-171.374.2000112.6W95 D117 A118 F119W95-D115 PolarHBondContact NE1-OD2 3.01Å; D115-D117 PolarHBondContact O-N 3.36Å; D115-A118 PolarHBondContact O-N 3.33Å; D115-F119 WeakPolarHBondContact O-CB 3.37Å; D115-F119 PolarHBondContact O-N 2.95Å
116R90.8Very high84.1Confident141 Ų14150.8 Ų50.853%0.53226%0.259SS..Hα-helixtrans-58.2-32.9173.5-169.4-179.2-173.6-129.7-0.2113P114 R120 E204P114-R116 VanDerWaalsContact C-N 3.26Å; P114-R116 PolarHBondContact O-N 3.16Å; R116-R120 VanDerWaalsContact NH2-NH2 3.15Å; R116-R120 VanDerWaalsContact O-CD 3.27Å; R116-R120 WeakPolarHBondContact O-CD 3.49Å; R116-R120 WeakPolarHBondContact O-CG 3.46Å; R116-R120 PolarHBondContact O-N 3.4Å; R116-E204 IonicContact CZ-OE2 3.52Å; R116-E204 IonicContact NH1-OE2 3.51Å; R116-E204 PolarHBondContact NH1-OE2 2.77Å; R116-E204 VanDerWaalsContact NH1-OE2 3.09Å; R116-E204 IonicContact NH2-OE1 3.67Å; R116-E204 IonicContact NH2-OE2 3.57Å
117D92.6Very high85.1Confident2 Ų246.5 Ų46.51%0.01124%0.235CC..Hα-helixtrans-86.5-32.6179.3-64.4-33.6000112P114 D115 F119 R120 L121 S200 I203P114-D117 HydrophobicContact CB-CB 4.48Å; P114-D117 WeakPolarHBondContact CG-OD2 3.41Å; P114-D117 WeakPolarHBondContact O-CA 3.27Å; P114-D117 PolarHBondContact O-N 3.16Å; D115-D117 PolarHBondContact O-N 3.36Å; D117-F119 VanDerWaalsContact C-N 3.34Å; D117-R120 PolarHBondContact O-N 2.66Å; D117-R120 WeakPolarHBondContact OD1-CD 3.37Å; D117-R120 IonicContact OD1-CZ 3.94Å; D117-R120 IonicContact OD1-NE 2.74Å; D117-R120 IonicContact OD1-NH1 2.99Å; D117-R120 PolarHBondContact OD1-NH1 2.93Å; D117-L121 WeakPolarHBondContact O-CB 3.35Å; D117-L121 VanDerWaalsContact O-CG 3.26Å; D117-L121 WeakPolarHBondContact O-CG 3.25Å; D117-L121 PolarHBondContact O-N 3.31Å; D117-S200 PolarHBondContact OD1-OG 3.28Å; D117-S200 WeakPolarHBondContact OD2-CB 3.34Å; D117-S200 PolarHBondContact OD2-OG 3.48Å; D117-I203 HydrophobicContact CB-CD1 4.19Å; D117-I203 HydrophobicContact CB-CG2 4.2Å
118A92.9Very high86.6Confident0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-61.5-42167.200000111.7W95 Y103 P114 D115 L121 W122 L182W95-A118 HydrophobicContact CH2-CB 3.83Å; W95-A118 HydrophobicContact CZ2-CB 3.73Å; Y103-A118 HydrophobicContact CD1-CB 4.23Å; Y103-A118 HydrophobicContact CE1-CB 3.47Å; Y103-A118 VanDerWaalsContact CE1-CB 3.47Å; Y103-A118 HydrophobicContact CE2-CB 4.25Å; Y103-A118 VanDerWaalsContact CZ-CB 3.49Å; P114-A118 PolarHBondContact O-N 3.43Å; D115-A118 PolarHBondContact O-N 3.33Å; A118-L121 PolarHBondContact O-N 3.46Å; A118-W122 WeakPolarHBondContact O-CB 3.26Å; A118-W122 PolarHBondContact O-N 3.47Å; A118-L182 HydrophobicContact CB-CD2 4.26Å
119F94.5Very high88.2Confident22 Ų2230.6 Ų30.610%0.09616%0.16CC..Hα-helixtrans-58.3-48.4172.2170.6-119.7000112.5E88 D91 E92 W95 D115 D117 W122 C123E88-F119 HydrophobicContact CG-CE1 4.36Å; E88-F119 HydrophobicContact CG-CZ 4.38Å; D91-F119 HydrophobicContact CB-CE2 4.04Å; D91-F119 HydrophobicContact CB-CZ 4.11Å; E92-F119 HydrophobicContact CB-CE2 4.36Å; E92-F119 HydrophobicContact CB-CZ 4.13Å; W95-F119 HydrophobicContact CB-CD2 3.6Å; W95-F119 HydrophobicContact CB-CE2 3.93Å; W95-F119 AromaticContact CD1-CD2 3.77Å; W95-F119 HydrophobicContact CD2-CB 4.2Å; W95-F119 HydrophobicContact CD2-CD2 4.07Å; W95-F119 HydrophobicContact CG-CB 4.23Å; W95-F119 AromaticContact CG-CD2 3.52Å; W95-F119 HydrophobicContact CG-CD2 3.52Å; W95-F119 HydrophobicContact CG-CE2 4.33Å; W95-F119 HydrophobicContact CG-CG 4.27Å; D115-F119 WeakPolarHBondContact O-CB 3.37Å; D115-F119 PolarHBondContact O-N 2.95Å; D117-F119 VanDerWaalsContact C-N 3.34Å; F119-W122 HydrophobicContact CD2-CE3 4.21Å; F119-W122 HydrophobicContact CE2-CE3 4.29Å; F119-W122 HydrophobicContact CE2-CZ3 4.25Å; F119-W122 PolarHBondContact O-N 3.09Å; F119-C123 WeakPolarHBondContact CE2-SG 3.43Å; F119-C123 PolarHBondContact O-N 3.2Å; F119-C123 PolarHBondContact O-SG 2.77Å
120R95.8Very high89.5Confident6 Ų629.5 Ų29.52%0.02315%0.15CC..Hα-helixtrans-61.1-45.2177-72.8161.1175.7-177.9-22112.5R116 D117 W122 C123 L124 I203 E204 Y207R116-R120 VanDerWaalsContact NH2-NH2 3.15Å; R116-R120 VanDerWaalsContact O-CD 3.27Å; R116-R120 WeakPolarHBondContact O-CD 3.49Å; R116-R120 WeakPolarHBondContact O-CG 3.46Å; R116-R120 PolarHBondContact O-N 3.4Å; D117-R120 PolarHBondContact O-N 2.66Å; D117-R120 WeakPolarHBondContact OD1-CD 3.37Å; D117-R120 IonicContact OD1-CZ 3.94Å; D117-R120 IonicContact OD1-NE 2.74Å; D117-R120 IonicContact OD1-NH1 2.99Å; D117-R120 PolarHBondContact OD1-NH1 2.93Å; R120-W122 VanDerWaalsContact C-N 3.31Å; R120-W122 PolarHBondContact O-N 3.37Å; R120-C123 PolarHBondContact O-N 3.4Å; R120-L124 WeakPolarHBondContact O-CB 3.32Å; R120-L124 WeakPolarHBondContact O-CD1 3.48Å; R120-L124 WeakPolarHBondContact O-CG 3.35Å; R120-L124 PolarHBondContact O-N 2.92Å; R120-I203 HydrophobicContact CB-CG2 3.7Å; R120-I203 HydrophobicContact CG-CG2 4.49Å; R120-E204 IonicContact CZ-OE2 3.96Å; R120-E204 IonicContact NH1-OE2 3.68Å; R120-E204 VanDerWaalsContact NH2-CG 3.31Å; R120-E204 IonicContact NH2-OE1 2.73Å; R120-E204 IonicContact NH2-OE2 3.09Å; R120-E204 PolarHBondContact NH2-OE2 2.85Å; R120-Y207 HydrophobicContact CB-CD2 3.96Å; R120-Y207 HydrophobicContact CB-CG 4.06Å; R120-Y207 HydrophobicContact CG-CD1 4.01Å; R120-Y207 HydrophobicContact CG-CD2 3.96Å; R120-Y207 HydrophobicContact CG-CE1 4.42Å; R120-Y207 HydrophobicContact CG-CE2 4.38Å; R120-Y207 HydrophobicContact CG-CG 3.76Å
121L95.4Very high90.7Very high0 Ų025.3 Ų25.30%013%0.129CC..Hα-helixtrans-64.9-34.2176.9-74.3170.2000111.9L113 D117 A118 L124 F125 I149 F181 L182 M185 I203L113-L121 HydrophobicContact CD1-CD1 3.57Å; L113-L121 HydrophobicContact CD2-CD1 4.39Å; D117-L121 WeakPolarHBondContact O-CB 3.35Å; D117-L121 VanDerWaalsContact O-CG 3.26Å; D117-L121 WeakPolarHBondContact O-CG 3.25Å; D117-L121 PolarHBondContact O-N 3.31Å; A118-L121 PolarHBondContact O-N 3.46Å; L121-L124 HydrophobicContact CD2-CD1 4.4Å; L121-F125 VanDerWaalsContact O-CB 3.31Å; L121-F125 WeakPolarHBondContact O-CB 3.23Å; L121-F125 PolarHBondContact O-N 2.96Å; L121-I149 HydrophobicContact CD2-CD1 3.85Å; L121-F181 HydrophobicContact CB-CE1 4.1Å; L121-F181 HydrophobicContact CD2-CE1 3.95Å; L121-F181 HydrophobicContact CD2-CZ 4.09Å; L121-L182 HydrophobicContact CB-CD2 3.72Å; L121-L182 HydrophobicContact CD1-CD2 4.26Å; L121-M185 HydrophobicContact CD1-CB 4.35Å; L121-M185 HydrophobicContact CD1-CE 4.14Å; L121-M185 HydrophobicContact CD1-CG 4.19Å; L121-M185 HydrophobicContact CD2-CE 4.34Å; L121-I203 HydrophobicContact CD1-CD1 3.94Å; L121-I203 HydrophobicContact CD2-CD1 4.49Å; L121-I203 HydrophobicContact CD2-CG1 4.38Å; L121-I203 HydrophobicContact CD2-CG2 4.37Å; L121-I203 HydrophobicContact CG-CD1 4.31Å; L121-I203 HydrophobicContact CG-CG2 4.08Å
122W95.4Very high91.5Very high0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-68.4-39.9171.3175.890.7000112.3Y13 D91 C94 W95 A118 F119 R120 F125 N126 V178Y13-W122 AromaticContact CD2-CE2 3.9Å; Y13-W122 AromaticContact CD2-CZ2 3.78Å; Y13-W122 HydrophobicContact CD2-CZ2 3.78Å; Y13-W122 AromaticContact CD2-NE1 3.53Å; Y13-W122 AromaticContact CE2-NE1 3.79Å; Y13-W122 HydrophobicContact CG-CZ2 4.09Å; Y13-W122 AromaticContact CG-NE1 3.79Å; D91-W122 HydrophobicContact CB-CZ3 4Å; D91-W122 VanDerWaalsContact O-CZ3 3.31Å; D91-W122 WeakPolarHBondContact O-CZ3 3.48Å; C94-W122 HydrophobicContact CB-CH2 3.8Å; C94-W122 HydrophobicContact CB-CZ2 4.38Å; W95-W122 HydrophobicContact CB-CE3 4.27Å; W95-W122 HydrophobicContact CB-CZ3 4.17Å; W95-W122 HydrophobicContact CE3-CB 3.71Å; W95-W122 AromaticContact CE3-CD1 3.87Å; W95-W122 AromaticContact CE3-CD2 3.69Å; W95-W122 HydrophobicContact CE3-CD2 3.69Å; W95-W122 HydrophobicContact CE3-CE3 4.12Å; W95-W122 AromaticContact CE3-CG 3.48Å; W95-W122 HydrophobicContact CE3-CG 3.48Å; W95-W122 VanDerWaalsContact CE3-CG 3.48Å; W95-W122 HydrophobicContact CH2-CB 4.39Å; W95-W122 HydrophobicContact CZ3-CB 3.5Å; W95-W122 VanDerWaalsContact CZ3-CB 3.5Å; W95-W122 AromaticContact CZ3-CD1 3.76Å; W95-W122 HydrophobicContact CZ3-CD2 4.28Å; W95-W122 AromaticContact CZ3-CG 3.58Å; W95-W122 HydrophobicContact CZ3-CG 3.58Å; A118-W122 WeakPolarHBondContact O-CB 3.26Å; A118-W122 PolarHBondContact O-N 3.47Å; F119-W122 HydrophobicContact CD2-CE3 4.21Å; F119-W122 HydrophobicContact CE2-CE3 4.29Å; F119-W122 HydrophobicContact CE2-CZ3 4.25Å; F119-W122 PolarHBondContact O-N 3.09Å; R120-W122 VanDerWaalsContact C-N 3.31Å; R120-W122 PolarHBondContact O-N 3.37Å; W122-F125 WeakPolarHBondContact O-CB 3.41Å; W122-F125 PolarHBondContact O-N 3.21Å; W122-N126 VanDerWaalsContact CH2-ND2 3.28Å; W122-N126 WeakPolarHBondContact CH2-ND2 3.4Å; W122-N126 WeakPolarHBondContact CZ2-ND2 3.37Å; W122-N126 VanDerWaalsContact O-CG 3.32Å; W122-N126 PolarHBondContact O-N 3.42Å; W122-N126 PolarHBondContact O-OD1 3.38Å; W122-V178 HydrophobicContact CB-CG2 4.19Å; W122-V178 HydrophobicContact CG-CG2 4.2Å
123C95.3Very high91.6Very high3 Ų333.9 Ų33.92%0.0216%0.158CC..Hα-helixtrans-65.4-43.3173.2-64.70000112.4F119 R120 F125 N126 F127 Y207 V211F119-C123 WeakPolarHBondContact CE2-SG 3.43Å; F119-C123 PolarHBondContact O-N 3.2Å; F119-C123 PolarHBondContact O-SG 2.77Å; R120-C123 PolarHBondContact O-N 3.4Å; C123-F125 VanDerWaalsContact C-N 3.27Å; C123-F125 PolarHBondContact O-N 3.31Å; C123-N126 PolarHBondContact O-N 2.95Å; C123-F127 PolarHBondContact O-N 3.03Å; C123-Y207 HydrophobicContact CB-CD2 4.12Å; C123-Y207 HydrophobicContact CB-CE2 3.57Å; C123-V211 HydrophobicContact CB-CG1 4.38Å; C123-V211 HydrophobicContact CB-CG2 4.36Å
124L96.3Very high91.7Very high0 Ų037.1 Ų37.10%018%0.18CC..Hα-helixtrans-59.9-39172.5-78160000111.1R120 L121 F127 L128 L145 V206 Y207 I210 V211R120-L124 WeakPolarHBondContact O-CB 3.32Å; R120-L124 WeakPolarHBondContact O-CD1 3.48Å; R120-L124 WeakPolarHBondContact O-CG 3.35Å; R120-L124 PolarHBondContact O-N 2.92Å; L121-L124 HydrophobicContact CD2-CD1 4.4Å; L124-F127 PolarHBondContact O-N 3.2Å; L124-L128 WeakPolarHBondContact O-CB 3.41Å; L124-L128 WeakPolarHBondContact O-CG 3.23Å; L124-L128 PolarHBondContact O-N 2.68Å; L124-L145 HydrophobicContact CB-CD1 4.29Å; L124-L145 HydrophobicContact CB-CD2 4.19Å; L124-L145 HydrophobicContact CD1-CD1 4.24Å; L124-L145 HydrophobicContact CD2-CD1 4.04Å; L124-L145 HydrophobicContact CG-CD1 4.43Å; L124-V206 HydrophobicContact CD1-CG1 4.3Å; L124-V206 HydrophobicContact CD2-CG1 4.03Å; L124-Y207 HydrophobicContact CG-CD2 4.48Å; L124-I210 HydrophobicContact CD2-CB 3.77Å; L124-I210 HydrophobicContact CD2-CD1 4.02Å; L124-I210 HydrophobicContact CD2-CG1 4.36Å; L124-I210 HydrophobicContact CD2-CG2 3.99Å; L124-V211 HydrophobicContact CD2-CG2 3.87Å; L124-V211 HydrophobicContact CG-CG2 4.02Å
125F95.7Very high91.8Very high0 Ų034.3 Ų34.30%016%0.161CC..Hα-helixtrans-62.7-49.6172.1-176.1-78.1000111.9Y13 L121 W122 C123 F127 L128 S129 L135 M137 I176 V178 F181Y13-F125 WeakPolarHBondContact OH-CE1 3.14Å; L121-F125 VanDerWaalsContact O-CB 3.31Å; L121-F125 WeakPolarHBondContact O-CB 3.23Å; L121-F125 PolarHBondContact O-N 2.96Å; W122-F125 WeakPolarHBondContact O-CB 3.41Å; W122-F125 PolarHBondContact O-N 3.21Å; C123-F125 VanDerWaalsContact C-N 3.27Å; C123-F125 PolarHBondContact O-N 3.31Å; F125-F127 VanDerWaalsContact C-N 3.26Å; F125-F127 PolarHBondContact O-N 2.87Å; F125-L128 PolarHBondContact O-N 3.43Å; F125-S129 WeakPolarHBondContact O-CB 3.49Å; F125-S129 PolarHBondContact O-N 3.3Å; F125-S129 PolarHBondContact O-OG 3.02Å; F125-L135 HydrophobicContact CE1-CB 4.15Å; F125-L135 WeakPolarHBondContact CZ-O 3.42Å; F125-M137 HydrophobicContact CB-CE 3.98Å; F125-M137 HydrophobicContact CD2-CB 3.97Å; F125-M137 HydrophobicContact CD2-CE 3.57Å; F125-M137 HydrophobicContact CE2-CB 3.54Å; F125-M137 HydrophobicContact CE2-CE 4.32Å; F125-M137 HydrophobicContact CG-CE 4Å; F125-M137 HydrophobicContact CZ-CB 4.12Å; F125-I176 WeakPolarHBondContact CE2-O 3.33Å; F125-I176 WeakPolarHBondContact CZ-O 3.42Å; F125-V178 HydrophobicContact CB-CB 4.35Å; F125-V178 HydrophobicContact CB-CG2 3.63Å; F125-V178 HydrophobicContact CD1-CB 3.58Å; F125-V178 HydrophobicContact CD1-CG2 3.8Å; F125-V178 HydrophobicContact CD2-CB 3.86Å; F125-V178 HydrophobicContact CD2-CG2 3.89Å; F125-V178 HydrophobicContact CE1-CB 3.77Å; F125-V178 HydrophobicContact CE1-CG2 4.47Å; F125-V178 HydrophobicContact CE2-CB 4.02Å; F125-V178 VanDerWaalsContact CE2-N 3.31Å; F125-V178 HydrophobicContact CG-CB 3.66Å; F125-V178 HydrophobicContact CG-CG2 3.49Å; F125-V178 VanDerWaalsContact CG-CG2 3.49Å; F125-V178 HydrophobicContact CZ-CB 3.99Å; F125-F181 HydrophobicContact CD2-CB 4.17Å; F125-F181 HydrophobicContact CD2-CD1 4.23Å; F125-F181 HydrophobicContact CD2-CG 4.32Å; F125-F181 HydrophobicContact CE2-CB 4.4Å
126N93.6Very high92Very high12 Ų1231.4 Ų31.46%0.06415%0.147CC..Hα-helixtrans-59.7-38.7178.9-68.1-2.6000111.5K9 S10 Y13 W122 C123 S129K9-N126 VanDerWaalsContact CD-O 3.3Å; K9-N126 WeakPolarHBondContact CD-O 3.48Å; S10-N126 PolarHBondContact OG-ND2 3.45Å; S10-N126 VanDerWaalsContact OG-ND2 3.08Å; Y13-N126 VanDerWaalsContact CE2-OD1 3.24Å; Y13-N126 WeakPolarHBondContact CE2-OD1 3.45Å; W122-N126 VanDerWaalsContact CH2-ND2 3.28Å; W122-N126 WeakPolarHBondContact CH2-ND2 3.4Å; W122-N126 WeakPolarHBondContact CZ2-ND2 3.37Å; W122-N126 VanDerWaalsContact O-CG 3.32Å; W122-N126 PolarHBondContact O-N 3.42Å; W122-N126 PolarHBondContact O-OD1 3.38Å; C123-N126 PolarHBondContact O-N 2.95Å; N126-S129 PolarHBondContact O-OG 3.22Å
127F93.8Very high92.1Very high13 Ų1324.7 Ų24.76%0.05712%0.122CC..Hα-helixtrans-63.1-49.1174.7-171.9-78.8000112.5C123 L124 F125 I210 V211 H319 K320 K323C123-F127 PolarHBondContact O-N 3.03Å; L124-F127 PolarHBondContact O-N 3.2Å; F125-F127 VanDerWaalsContact C-N 3.26Å; F125-F127 PolarHBondContact O-N 2.87Å; F127-I210 HydrophobicContact CD1-CG2 3.45Å; F127-I210 VanDerWaalsContact CD1-CG2 3.45Å; F127-I210 HydrophobicContact CD2-CG2 4.34Å; F127-I210 HydrophobicContact CE1-CG2 3.56Å; F127-I210 HydrophobicContact CE2-CG2 4.41Å; F127-I210 WeakPolarHBondContact CE2-O 3.48Å; F127-I210 HydrophobicContact CG-CG2 3.89Å; F127-I210 HydrophobicContact CZ-CG2 4.04Å; F127-V211 HydrophobicContact CB-CG2 4.2Å; F127-H319 HydrophobicContact CE1-CB 3.89Å; F127-H319 HydrophobicContact CZ-CB 3.64Å; F127-K320 HydrophobicContact CE2-CG 3.85Å; F127-K320 HydrophobicContact CZ-CG 3.67Å; F127-K323 WeakPolarHBondContact O-CD 3.27Å; F127-K323 WeakPolarHBondContact O-CE 3.43Å; F127-K323 PolarHBondContact O-NZ 2.83Å
128L94.4Very high92.1Very high1 Ų125.6 Ų25.61%0.00513%0.128CC..Hα-helixtrans-84.7-21.8-173.6-67.9174.4000114.5L124 F125 M137 E141 Y144 L145 K323L124-L128 WeakPolarHBondContact O-CB 3.41Å; L124-L128 WeakPolarHBondContact O-CG 3.23Å; L124-L128 PolarHBondContact O-N 2.68Å; F125-L128 PolarHBondContact O-N 3.43Å; L128-M137 HydrophobicContact CB-CE 3.84Å; L128-M137 HydrophobicContact CB-CG 4.39Å; L128-M137 HydrophobicContact CB-SD 4.18Å; L128-M137 HydrophobicContact CD1-CE 4.24Å; L128-M137 HydrophobicContact CD1-SD 4.36Å; L128-E141 HydrophobicContact CB-CB 4.43Å; L128-Y144 HydrophobicContact CD1-CD1 4.27Å; L128-Y144 HydrophobicContact CD2-CD1 4.15Å; L128-Y144 HydrophobicContact CD2-CE1 4.2Å; L128-L145 HydrophobicContact CD1-CB 3.75Å; L128-L145 HydrophobicContact CD1-CD1 4.09Å; L128-L145 HydrophobicContact CD1-CD2 4.07Å; L128-L145 HydrophobicContact CD1-CG 4.18Å; L128-K323 WeakPolarHBondContact O-CE 3.24Å; L128-K323 PolarHBondContact O-NZ 3.45Å
129S93.4Very high92Very high0 Ų027.1 Ų27.10%014%0.137CC..SBendtrans-56152.8179.363.20000113.4K9 F125 N126 V136 K323K9-S129 PolarHBondContact NZ-O 3.36Å; K9-S129 PolarHBondContact NZ-OG 3.41Å; F125-S129 WeakPolarHBondContact O-CB 3.49Å; F125-S129 PolarHBondContact O-N 3.3Å; F125-S129 PolarHBondContact O-OG 3.02Å; N126-S129 PolarHBondContact O-OG 3.22Å; S129-V136 CarbonylContact C-O 3.57Å; S129-V136 VanDerWaalsContact CA-O 3.26Å; S129-V136 WeakPolarHBondContact CA-O 3.34Å; S129-V136 WeakPolarHBondContact CB-O 3.33Å; S129-K323 PolarHBondContact O-NZ 3.47Å
130E90.3Very high91.9Very high22 Ų2229.2 Ų29.210%0.10315%0.15CC..  trans-67.1165.9170.1-69.6-60.2162.300111.9K9 K132 L135 V136 V138 R327 R330K9-E130 PolarHBondContact NZ-O 2.77Å; E130-K132 PolarHBondContact O-N 2.93Å; E130-L135 VanDerWaalsContact O-CD2 3.31Å; E130-L135 WeakPolarHBondContact O-CD2 3.47Å; E130-V136 PolarHBondContact N-O 3.22Å; E130-V138 HydrophobicContact CG-CG1 3.93Å; E130-R327 IonicContact OE2-CZ 3.35Å; E130-R327 IonicContact OE2-NE 3.18Å; E130-R327 IonicContact OE2-NH1 3.03Å; E130-R327 PolarHBondContact OE2-NH1 2.89Å; E130-R330 IonicContact OE1-CZ 3.18Å; E130-R330 VanDerWaalsContact OE1-CZ 3.23Å; E130-R330 IonicContact OE1-NH1 2.71Å; E130-R330 PolarHBondContact OE1-NH1 3.47Å; E130-R330 IonicContact OE1-NH2 2.89Å; E130-R330 PolarHBondContact OE1-NH2 3.37Å
131D86.3Confident91.8Very high67 Ų6729 Ų2936%0.35815%0.149SC..SBendtrans-93.825.7-174.2-43.7-50000112.5K9 R327K9-D131 VanDerWaalsContact CE-OD1 3.25Å; K9-D131 WeakPolarHBondContact CE-OD1 3.26Å; K9-D131 IonicContact NZ-OD1 2.88Å; K9-D131 PolarHBondContact NZ-OD1 3.23Å; D131-R327 IonicContact OD2-CZ 3.66Å; D131-R327 IonicContact OD2-NH1 3.58Å; D131-R327 PolarHBondContact OD2-NH1 3.41Å
132K84.3Confident91.7Very high163 Ų16329 Ų2971%0.70915%0.149SC*.SBendtrans-113142177.3-63.7179.7-178.3176.10109.1E130 P134E130-K132 PolarHBondContact O-N 2.93Å; K132-P134 CarbonylContact O-C 3.54Å
133Y83Confident91.6Very high85 Ų8531.5 Ų31.533%0.33316%0.16SC..SBendtrans-100.8139.1177.9-64.1-78.7000110.5L8 K9 W12 L135L8-Y133 HydrophobicContact CD2-CE2 4.37Å; L8-Y133 WeakPolarHBondContact CG-OH 3.46Å; L8-Y133 PolarHBondContact O-OH 3.44Å; K9-Y133 PolarHBondContact N-OH 2.97Å; W12-Y133 HydrophobicContact CB-CD1 4.12Å; W12-Y133 HydrophobicContact CB-CE1 3.53Å; W12-Y133 AromaticContact CD1-CD1 3.63Å; W12-Y133 AromaticContact CD1-CE1 3.88Å; W12-Y133 AromaticContact CD2-CD1 3.33Å; W12-Y133 HydrophobicContact CD2-CD1 3.33Å; W12-Y133 AromaticContact CD2-CE1 3.66Å; W12-Y133 HydrophobicContact CD2-CE1 3.66Å; W12-Y133 HydrophobicContact CD2-CG 4.39Å; W12-Y133 AromaticContact CE2-CD1 3.53Å; W12-Y133 AromaticContact CE3-CD1 3.84Å; W12-Y133 HydrophobicContact CE3-CD1 3.84Å; W12-Y133 HydrophobicContact CE3-CE1 4.07Å; W12-Y133 AromaticContact CG-CD1 3.43Å; W12-Y133 HydrophobicContact CG-CD1 3.43Å; W12-Y133 VanDerWaalsContact CG-CD1 3.43Å; W12-Y133 AromaticContact CG-CE1 3.39Å; W12-Y133 HydrophobicContact CG-CE1 3.39Å; W12-Y133 HydrophobicContact CG-CG 4.39Å; W12-Y133 HydrophobicContact CZ2-CD1 4.2Å; W12-Y133 HydrophobicContact CZ3-CD1 4.45Å; W12-Y133 AromaticContact NE1-CD1 3.67Å; Y133-L135 HydrophobicContact CD1-CD1 4.37Å; Y133-L135 HydrophobicContact CD1-CD2 3.9Å; Y133-L135 HydrophobicContact CD1-CG 3.72Å; Y133-L135 HydrophobicContact CE1-CD1 3.88Å; Y133-L135 HydrophobicContact CE1-CD2 3.67Å; Y133-L135 HydrophobicContact CE1-CG 3.66Å
134P85.1Confident91.5Very high85 Ų8533.2 Ų33.255%0.55217%0.167SC*.SBendcis-66.6145.4-330.5-36.5000112.5W12 K132 V136W12-P134 HydrophobicContact CH2-CB 3.61Å; W12-P134 HydrophobicContact CZ2-CB 3.96Å; K132-P134 CarbonylContact O-C 3.54Å; P134-V136 PolarHBondContact O-N 3.41Å
135L90.2Very high91.5Very high1 Ų133.2 Ų33.21%0.00517%0.167CC..PPolyproline II helixtrans-66.5124.8-174.2-65.4171.1000111.6K9 W12 Y13 F125 E130 Y133K9-L135 HydrophobicContact CB-CD1 3.68Å; K9-L135 HydrophobicContact CD-CD1 4.23Å; K9-L135 HydrophobicContact CD-CD2 3.95Å; K9-L135 HydrophobicContact CG-CD1 3.92Å; K9-L135 HydrophobicContact CG-CD2 3.99Å; W12-L135 HydrophobicContact CE3-CD1 3.99Å; W12-L135 HydrophobicContact CE3-CG 4.15Å; W12-L135 HydrophobicContact CZ3-CB 4.37Å; W12-L135 HydrophobicContact CZ3-CD1 4.39Å; W12-L135 HydrophobicContact CZ3-CG 4.25Å; Y13-L135 HydrophobicContact CD2-CD1 4.14Å; Y13-L135 HydrophobicContact CE2-CB 4.38Å; Y13-L135 HydrophobicContact CE2-CD1 3.61Å; F125-L135 HydrophobicContact CE1-CB 4.15Å; F125-L135 WeakPolarHBondContact CZ-O 3.42Å; E130-L135 VanDerWaalsContact O-CD2 3.31Å; E130-L135 WeakPolarHBondContact O-CD2 3.47Å; Y133-L135 HydrophobicContact CD1-CD1 4.37Å; Y133-L135 HydrophobicContact CD1-CD2 3.9Å; Y133-L135 HydrophobicContact CD1-CG 3.72Å; Y133-L135 HydrophobicContact CE1-CD1 3.88Å; Y133-L135 HydrophobicContact CE1-CD2 3.67Å; Y133-L135 HydrophobicContact CE1-CG 3.66Å
136V92.8Very high91.3Very high36 Ų3633.3 Ų33.322%0.21817%0.167CC..  trans-124.7145.6177.8-68.80000111.3S129 E130 P134 I176 T177S129-V136 CarbonylContact C-O 3.57Å; S129-V136 VanDerWaalsContact CA-O 3.26Å; S129-V136 WeakPolarHBondContact CA-O 3.34Å; S129-V136 WeakPolarHBondContact CB-O 3.33Å; E130-V136 PolarHBondContact N-O 3.22Å; P134-V136 PolarHBondContact O-N 3.41Å; V136-I176 CarbonylContact C-O 3.15Å; V136-I176 WeakPolarHBondContact CA-O 3.5Å; V136-T177 HydrophobicContact CG1-CG2 4.41Å
137M93.7Very high91.3Very high0 Ų036.5 Ų36.50%018%0.18CC..BIsolated β-bridgetrans-101.2120.9165.6-167.9-174.6-54.900108.5F125 L128 E141 V142 L145 G175 I176F125-M137 HydrophobicContact CB-CE 3.98Å; F125-M137 HydrophobicContact CD2-CB 3.97Å; F125-M137 HydrophobicContact CD2-CE 3.57Å; F125-M137 HydrophobicContact CE2-CB 3.54Å; F125-M137 HydrophobicContact CE2-CE 4.32Å; F125-M137 HydrophobicContact CG-CE 4Å; F125-M137 HydrophobicContact CZ-CB 4.12Å; L128-M137 HydrophobicContact CB-CE 3.84Å; L128-M137 HydrophobicContact CB-CG 4.39Å; L128-M137 HydrophobicContact CB-SD 4.18Å; L128-M137 HydrophobicContact CD1-CE 4.24Å; L128-M137 HydrophobicContact CD1-SD 4.36Å; M137-E141 HydrophobicContact CG-CB 3.64Å; M137-E141 HydrophobicContact SD-CB 4.15Å; M137-V142 HydrophobicContact CB-CG2 3.95Å; M137-V142 HydrophobicContact CG-CG2 3.67Å; M137-V142 VanDerWaalsContact SD-CA 3.51Å; M137-V142 HydrophobicContact SD-CB 4.1Å; M137-V142 HydrophobicContact SD-CG2 3.53Å; M137-V142 VanDerWaalsContact SD-CG2 3.53Å; M137-V142 PolarHBondContact SD-N 3.45Å; M137-V142 VanDerWaalsContact SD-N 3.41Å; M137-L145 HydrophobicContact CE-CD2 3.92Å; M137-L145 HydrophobicContact SD-CD2 4.41Å; M137-G175 CarbonylContact O-C 3.55Å; M137-G175 WeakPolarHBondContact O-CA 3.45Å; M137-I176 PolarHBondContact N-O 3.04Å; M137-I176 PolarHBondContact O-N 3.05Å
138V92.6Very high91.3Very high22 Ų2238 Ų3813%0.13319%0.187CC..  trans-71.8156.6178.6-610000111.4E130 D140 E141 V142E130-V138 HydrophobicContact CG-CG1 3.93Å; V138-D140 PolarHBondContact O-N 3.34Å; V138-E141 HydrophobicContact CG2-CB 4.19Å; V138-E141 HydrophobicContact CG2-CG 3.61Å; V138-E141 PolarHBondContact O-N 2.96Å; V138-V142 PolarHBondContact O-N 3.32Å; V138-V142 VanDerWaalsContact O-N 3.13Å
139P91.1Very high91.2Very high32 Ų3238.1 Ų38.121%0.20819%0.188CC..Hα-helixtrans-51.3-46.9-174.7-27.534.5000114.2E141 V142 E143 F166P139-E141 PolarHBondContact O-N 3.41Å; P139-V142 PolarHBondContact O-N 3.27Å; P139-V142 VanDerWaalsContact O-N 3.12Å; P139-E143 WeakPolarHBondContact O-CB 3.34Å; P139-E143 PolarHBondContact O-N 2.7Å; P139-F166 HydrophobicContact CB-CD1 4.45Å; P139-F166 HydrophobicContact CB-CD2 4.27Å; P139-F166 HydrophobicContact CB-CE1 4.13Å; P139-F166 HydrophobicContact CB-CE2 3.94Å; P139-F166 HydrophobicContact CB-CZ 3.87Å; P139-F166 HydrophobicContact CG-CD1 3.96Å; P139-F166 HydrophobicContact CG-CE1 3.68Å; P139-F166 HydrophobicContact CG-CE2 4.39Å; P139-F166 HydrophobicContact CG-CG 4.44Å; P139-F166 HydrophobicContact CG-CZ 3.94Å
140D90.5Very high91.1Very high66 Ų6638.3 Ų38.335%0.35319%0.189SC..Hα-helixtrans-54.1-35.4176.8-61.850.4000113.8V138 Y144 R333V138-D140 PolarHBondContact O-N 3.34Å; D140-Y144 VanDerWaalsContact O-CB 3.31Å; D140-Y144 WeakPolarHBondContact O-CB 3.46Å; D140-Y144 PolarHBondContact O-N 3.5Å; D140-R333 IonicContact OD2-NH1 2.61Å; D140-R333 PolarHBondContact OD2-NH1 3.12Å
141E94.6Very high91.2Very high0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-84.6-29.5-178.6-57.6-67.3158.400111.5L128 M137 V138 P139 L145 R326 R330L128-E141 HydrophobicContact CB-CB 4.43Å; M137-E141 HydrophobicContact CG-CB 3.64Å; M137-E141 HydrophobicContact SD-CB 4.15Å; V138-E141 HydrophobicContact CG2-CB 4.19Å; V138-E141 HydrophobicContact CG2-CG 3.61Å; V138-E141 PolarHBondContact O-N 2.96Å; P139-E141 PolarHBondContact O-N 3.41Å; E141-L145 WeakPolarHBondContact O-CB 3.29Å; E141-L145 PolarHBondContact O-N 3.07Å; E141-R326 IonicContact OE1-NE 3.28Å; E141-R326 PolarHBondContact OE1-NE 2.72Å; E141-R326 IonicContact OE2-CZ 3.79Å; E141-R326 IonicContact OE2-NE 3.78Å; E141-R326 PolarHBondContact OE2-NE 3.38Å; E141-R326 IonicContact OE2-NH2 2.67Å; E141-R326 PolarHBondContact OE2-NH2 2.86Å; E141-R330 IonicContact OE1-CZ 2.75Å; E141-R330 IonicContact OE1-NE 3.22Å; E141-R330 IonicContact OE1-NH2 3.69Å; E141-R330 PolarHBondContact OE1-NH2 2.94Å
142V93.4Very high91.5Very high0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-66.4-47.9169.6-178.80000109.5M137 V138 P139 Y144 L145 L146 L162 F166 I176 F181 M184M137-V142 HydrophobicContact CB-CG2 3.95Å; M137-V142 HydrophobicContact CG-CG2 3.67Å; M137-V142 VanDerWaalsContact SD-CA 3.51Å; M137-V142 HydrophobicContact SD-CB 4.1Å; M137-V142 HydrophobicContact SD-CG2 3.53Å; M137-V142 VanDerWaalsContact SD-CG2 3.53Å; M137-V142 PolarHBondContact SD-N 3.45Å; M137-V142 VanDerWaalsContact SD-N 3.41Å; V138-V142 PolarHBondContact O-N 3.32Å; V138-V142 VanDerWaalsContact O-N 3.13Å; P139-V142 PolarHBondContact O-N 3.27Å; P139-V142 VanDerWaalsContact O-N 3.12Å; V142-Y144 VanDerWaalsContact C-N 3.33Å; V142-Y144 PolarHBondContact O-N 3.17Å; V142-L145 PolarHBondContact O-N 3.15Å; V142-L146 HydrophobicContact CG1-CD1 4.03Å; V142-L146 HydrophobicContact CG1-CG 4.34Å; V142-L146 WeakPolarHBondContact O-CG 3.36Å; V142-L146 PolarHBondContact O-N 3.44Å; V142-L162 HydrophobicContact CG1-CD1 3.95Å; V142-F166 HydrophobicContact CB-CZ 4.34Å; V142-F166 HydrophobicContact CG2-CZ 4.19Å; V142-I176 HydrophobicContact CG1-CD1 4.2Å; V142-I176 HydrophobicContact CG2-CD1 3.75Å; V142-I176 HydrophobicContact CG2-CG1 3.83Å; V142-F181 HydrophobicContact CG1-CD2 4.3Å; V142-F181 HydrophobicContact CG1-CE2 4.31Å; V142-M184 HydrophobicContact CG1-CE 4.04Å
143E92.2Very high91.7Very high53 Ų5335 Ų3525%0.24818%0.181CC..Hα-helixtrans-59.7-43.2176.5-159.2-148.6-160.600111.1P139 K147 F157 L162P139-E143 WeakPolarHBondContact O-CB 3.34Å; P139-E143 PolarHBondContact O-N 2.7Å; E143-K147 VanDerWaalsContact CD-CE 3.41Å; E143-K147 HydrophobicContact CG-CD 4.24Å; E143-K147 VanDerWaalsContact O-CB 3.27Å; E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 VanDerWaalsContact O-CG 3.25Å; E143-K147 WeakPolarHBondContact O-CG 3.34Å; E143-K147 PolarHBondContact O-N 2.86Å; E143-K147 WeakPolarHBondContact OE1-CE 3.45Å; E143-K147 IonicContact OE1-NZ 2.75Å; E143-K147 PolarHBondContact OE1-NZ 3.28Å; E143-K147 IonicContact OE2-NZ 3.84Å; E143-K147 PolarHBondContact OE2-NZ 2.85Å; E143-F157 HydrophobicContact CG-CE1 3.78Å; E143-L162 HydrophobicContact CB-CD1 4.36Å; E143-L162 HydrophobicContact CG-CD2 4.46Å
144Y94.3Very high92Very high40 Ų4036.3 Ų36.316%0.15720%0.203CC..Hα-helixtrans-58.5-47.1172.9172.8-102.1000112.7L128 D140 V142 K148 I210 H319 R326L128-Y144 HydrophobicContact CD1-CD1 4.27Å; L128-Y144 HydrophobicContact CD2-CD1 4.15Å; L128-Y144 HydrophobicContact CD2-CE1 4.2Å; D140-Y144 VanDerWaalsContact O-CB 3.31Å; D140-Y144 WeakPolarHBondContact O-CB 3.46Å; D140-Y144 PolarHBondContact O-N 3.5Å; V142-Y144 VanDerWaalsContact C-N 3.33Å; V142-Y144 PolarHBondContact O-N 3.17Å; Y144-K148 HydrophobicContact CE1-CG 4.35Å; Y144-K148 HydrophobicContact CE2-CG 4.19Å; Y144-K148 WeakPolarHBondContact O-CB 3.28Å; Y144-K148 PolarHBondContact O-N 3.39Å; Y144-I210 HydrophobicContact CE1-CD1 4.02Å; Y144-H319 PolarHBondContact OH-CE1 3.02Å; Y144-H319 PolarHBondContact OH-ND1 2.69Å; Y144-R326 VanDerWaalsContact CZ-NH1 3.35Å
145L95.4Very high92.1Very high0 Ų035.8 Ų35.80%019%0.194CC..Hα-helixtrans-65.5-44.1-179.3-17956.2000111.9L124 L128 M137 E141 V142 K148 I149 F181 V206L124-L145 HydrophobicContact CB-CD1 4.29Å; L124-L145 HydrophobicContact CB-CD2 4.19Å; L124-L145 HydrophobicContact CD1-CD1 4.24Å; L124-L145 HydrophobicContact CD2-CD1 4.04Å; L124-L145 HydrophobicContact CG-CD1 4.43Å; L128-L145 HydrophobicContact CD1-CB 3.75Å; L128-L145 HydrophobicContact CD1-CD1 4.09Å; L128-L145 HydrophobicContact CD1-CD2 4.07Å; L128-L145 HydrophobicContact CD1-CG 4.18Å; M137-L145 HydrophobicContact CE-CD2 3.92Å; M137-L145 HydrophobicContact SD-CD2 4.41Å; E141-L145 WeakPolarHBondContact O-CB 3.29Å; E141-L145 PolarHBondContact O-N 3.07Å; V142-L145 PolarHBondContact O-N 3.15Å; L145-K148 WeakPolarHBondContact O-CB 3.35Å; L145-K148 PolarHBondContact O-N 3.08Å; L145-I149 HydrophobicContact CD1-CD1 4.03Å; L145-I149 HydrophobicContact CD1-CG1 4.38Å; L145-I149 HydrophobicContact CG-CD1 4.02Å; L145-I149 WeakPolarHBondContact O-CG1 3.38Å; L145-I149 PolarHBondContact O-N 2.98Å; L145-F181 HydrophobicContact CD2-CE1 3.91Å; L145-F181 HydrophobicContact CD2-CE2 4.15Å; L145-F181 HydrophobicContact CD2-CZ 3.41Å; L145-F181 VanDerWaalsContact CD2-CZ 3.41Å; L145-F181 HydrophobicContact CG-CZ 4.29Å; L145-V206 HydrophobicContact CD1-CG1 3.87Å
146L92.8Very high91.8Very high2 Ų244.9 Ų44.91%0.0124%0.237CC..Hα-helixtrans-68.3-42.1178.8-64.2180000111.7V142 K148 I149 C150 F157 L162 F181 M184 M185 I190V142-L146 HydrophobicContact CG1-CD1 4.03Å; V142-L146 HydrophobicContact CG1-CG 4.34Å; V142-L146 WeakPolarHBondContact O-CG 3.36Å; V142-L146 PolarHBondContact O-N 3.44Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.29Å; L146-I149 PolarHBondContact O-N 3Å; L146-C150 WeakPolarHBondContact O-CB 3.42Å; L146-C150 PolarHBondContact O-N 2.65Å; L146-C150 PolarHBondContact O-SG 2.63Å; L146-C150 VanDerWaalsContact O-SG 3.41Å; L146-F157 HydrophobicContact CB-CD2 3.9Å; L146-F157 HydrophobicContact CB-CE2 3.47Å; L146-F157 VanDerWaalsContact CB-CE2 3.47Å; L146-F157 HydrophobicContact CB-CZ 3.97Å; L146-F157 HydrophobicContact CD1-CE2 3.8Å; L146-F157 HydrophobicContact CD1-CZ 4.01Å; L146-F157 HydrophobicContact CG-CE2 4.3Å; L146-L162 HydrophobicContact CD1-CD1 3.76Å; L146-F181 HydrophobicContact CD2-CE2 4.23Å; L146-M184 HydrophobicContact CD1-CE 3.88Å; L146-M184 HydrophobicContact CD2-CE 4.34Å; L146-M185 HydrophobicContact CD2-SD 3.6Å; L146-M185 VanDerWaalsContact CD2-SD 3.6Å; L146-I190 HydrophobicContact CD1-CD1 3.71Å; L146-I190 HydrophobicContact CD2-CD1 3.99Å; L146-I190 HydrophobicContact CD2-CG2 4.48Å
147K92.8Very high91.4Very high78 Ų7845 Ų4534%0.33924%0.235SC..Hα-helixtrans-55-44.1170.4-78.3173.71781710111.4E143 C150 M151 F157E143-K147 VanDerWaalsContact CD-CE 3.41Å; E143-K147 HydrophobicContact CG-CD 4.24Å; E143-K147 VanDerWaalsContact O-CB 3.27Å; E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 VanDerWaalsContact O-CG 3.25Å; E143-K147 WeakPolarHBondContact O-CG 3.34Å; E143-K147 PolarHBondContact O-N 2.86Å; E143-K147 WeakPolarHBondContact OE1-CE 3.45Å; E143-K147 IonicContact OE1-NZ 2.75Å; E143-K147 PolarHBondContact OE1-NZ 3.28Å; E143-K147 IonicContact OE2-NZ 3.84Å; E143-K147 PolarHBondContact OE2-NZ 2.85Å; K147-C150 PolarHBondContact O-N 3.02Å; K147-M151 WeakPolarHBondContact O-CB 3.4Å; K147-M151 WeakPolarHBondContact O-CG 3.35Å; K147-M151 PolarHBondContact O-N 3.38Å; K147-F157 HydrophobicContact CD-CD1 4.28Å; K147-F157 HydrophobicContact CG-CB 3.85Å; K147-F157 HydrophobicContact CG-CD1 3.5Å; K147-F157 HydrophobicContact CG-CE1 4.3Å; K147-F157 HydrophobicContact CG-CG 3.81Å
148K93.6Very high90.8Very high45 Ų4549 Ų4920%0.19626%0.256CS..Hα-helixtrans-60.9-46.6175.8-89.4-67.8-161.7167.30113.1Y144 L145 L146 M151 A152 V206 E209Y144-K148 HydrophobicContact CE1-CG 4.35Å; Y144-K148 HydrophobicContact CE2-CG 4.19Å; Y144-K148 WeakPolarHBondContact O-CB 3.28Å; Y144-K148 PolarHBondContact O-N 3.39Å; L145-K148 WeakPolarHBondContact O-CB 3.35Å; L145-K148 PolarHBondContact O-N 3.08Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.29Å; K148-M151 PolarHBondContact O-N 3.35Å; K148-A152 PolarHBondContact O-N 3.49Å; K148-A152 VanDerWaalsContact O-N 3.1Å; K148-V206 HydrophobicContact CB-CG1 4.14Å; K148-V206 HydrophobicContact CB-CG2 4.18Å; K148-E209 WeakPolarHBondContact CE-OE2 3.4Å; K148-E209 IonicContact NZ-OE1 2.75Å; K148-E209 PolarHBondContact NZ-OE1 3.43Å; K148-E209 IonicContact NZ-OE2 2.74Å; K148-E209 PolarHBondContact NZ-OE2 2.87Å
149I93.2Very high90.2Very high3 Ų350.2 Ų50.22%0.01526%0.264CS..Hα-helixtrans-66.3-43.7179-65.1165.8000110.8L121 L145 L146 A152 M153 M185 A202 I203 V206L121-I149 HydrophobicContact CD2-CD1 3.85Å; L145-I149 HydrophobicContact CD1-CD1 4.03Å; L145-I149 HydrophobicContact CD1-CG1 4.38Å; L145-I149 HydrophobicContact CG-CD1 4.02Å; L145-I149 WeakPolarHBondContact O-CG1 3.38Å; L145-I149 PolarHBondContact O-N 2.98Å; L146-I149 PolarHBondContact O-N 3Å; I149-A152 PolarHBondContact O-N 2.67Å; I149-M153 HydrophobicContact CG2-CE 4.04Å; I149-M153 HydrophobicContact CG2-SD 4.42Å; I149-M153 WeakPolarHBondContact O-CG 3.29Å; I149-M153 PolarHBondContact O-N 3.43Å; I149-M185 HydrophobicContact CD1-CE 4.42Å; I149-A202 HydrophobicContact CG2-CB 4.35Å; I149-I203 HydrophobicContact CG2-CG1 4.43Å; I149-V206 HydrophobicContact CG1-CB 4.31Å; I149-V206 HydrophobicContact CG1-CG1 4.24Å; I149-V206 HydrophobicContact CG1-CG2 4.13Å
150C91.6Very high89.7Confident4 Ų452.4 Ų52.43%0.02728%0.277CS..Hα-helixtrans-62.7-41.1175-70.80000112.6L146 K147 A152 M153 S154 I155 F157L146-C150 WeakPolarHBondContact O-CB 3.42Å; L146-C150 PolarHBondContact O-N 2.65Å; L146-C150 PolarHBondContact O-SG 2.63Å; L146-C150 VanDerWaalsContact O-SG 3.41Å; K147-C150 PolarHBondContact O-N 3.02Å; C150-A152 PolarHBondContact O-N 3.46Å; C150-M153 CarbonylContact O-C 3.56Å; C150-M153 WeakPolarHBondContact O-CA 3.32Å; C150-M153 PolarHBondContact O-N 3.41Å; C150-M153 VanDerWaalsContact O-N 3.14Å; C150-S154 PolarHBondContact O-N 3.02Å; C150-I155 CarbonylContact C-O 3.35Å; C150-I155 WeakPolarHBondContact CB-O 3.35Å; C150-I155 PolarHBondContact O-N 3.35Å; C150-F157 HydrophobicContact CB-CB 4.01Å
151M91.9Very high89Confident137 Ų13753.8 Ų53.868%0.67528%0.282SS*.Hα-helixtrans-61.3-40.9174.8-76.2175.270.300112.6K147 K148 M153 S154K147-M151 WeakPolarHBondContact O-CB 3.4Å; K147-M151 WeakPolarHBondContact O-CG 3.35Å; K147-M151 PolarHBondContact O-N 3.38Å; K148-M151 PolarHBondContact O-N 3.35Å; M151-M153 VanDerWaalsContact C-N 3.33Å; M151-S154 WeakPolarHBondContact O-CA 3.27Å; M151-S154 PolarHBondContact O-N 2.72Å
152A91.9Very high88.4Confident30 Ų3054.3 Ų54.325%0.24828%0.284CS..Hα-helixtrans-65.3-35.8174.100000111.9K148 I149 C150 S154 A202 V206K148-A152 PolarHBondContact O-N 3.49Å; K148-A152 VanDerWaalsContact O-N 3.1Å; I149-A152 PolarHBondContact O-N 2.67Å; C150-A152 PolarHBondContact O-N 3.46Å; A152-S154 PolarHBondContact O-N 2.95Å; A152-A202 HydrophobicContact CB-CB 3.77Å; A152-V206 HydrophobicContact CB-CG2 4.22Å
153M90.1Very high87.9Confident15 Ų1558.2 Ų58.27%0.07431%0.305CS..THydrogen-bonded Turntrans-74.10.1170-60.6-175.4-56.900114.1I149 C150 M151 I155 I194 I198 A202I149-M153 HydrophobicContact CG2-CE 4.04Å; I149-M153 HydrophobicContact CG2-SD 4.42Å; I149-M153 WeakPolarHBondContact O-CG 3.29Å; I149-M153 PolarHBondContact O-N 3.43Å; C150-M153 CarbonylContact O-C 3.56Å; C150-M153 WeakPolarHBondContact O-CA 3.32Å; C150-M153 PolarHBondContact O-N 3.41Å; C150-M153 VanDerWaalsContact O-N 3.14Å; M151-M153 VanDerWaalsContact C-N 3.33Å; M153-I155 VanDerWaalsContact C-N 3.32Å; M153-I155 HydrophobicContact CB-CD1 4.01Å; M153-I155 HydrophobicContact CB-CG1 4.4Å; M153-I155 PolarHBondContact O-N 3.26Å; M153-I194 HydrophobicContact CE-CD1 3.48Å; M153-I194 VanDerWaalsContact CE-CD1 3.48Å; M153-I194 HydrophobicContact SD-CD1 3.6Å; M153-I194 VanDerWaalsContact SD-CD1 3.6Å; M153-I194 HydrophobicContact SD-CG2 4.07Å; M153-I198 HydrophobicContact CB-CG2 4.42Å; M153-I198 HydrophobicContact CG-CG2 4.22Å; M153-A202 HydrophobicContact CG-CB 3.39Å; M153-A202 HydrophobicContact SD-CB 4.33Å
154S88.1Confident87.4Confident114 Ų11460 Ų6080%0.79732%0.316SS*.THydrogen-bonded Turntrans5738-173.6-58.40000114.5C150 M151 A152C150-S154 PolarHBondContact O-N 3.02Å; M151-S154 WeakPolarHBondContact O-CA 3.27Å; M151-S154 PolarHBondContact O-N 2.72Å; A152-S154 PolarHBondContact O-N 2.95Å
155I87Confident86.9Confident73 Ų7359.8 Ų59.837%0.37432%0.316SS..  trans-121142.7-177.1-71.5166.5000110.4C150 M153 I194C150-I155 CarbonylContact C-O 3.35Å; C150-I155 WeakPolarHBondContact CB-O 3.35Å; C150-I155 PolarHBondContact O-N 3.35Å; M153-I155 VanDerWaalsContact C-N 3.32Å; M153-I155 HydrophobicContact CB-CD1 4.01Å; M153-I155 HydrophobicContact CB-CG1 4.4Å; M153-I155 PolarHBondContact O-N 3.26Å; I155-I194 HydrophobicContact CD1-CD1 3.42Å; I155-I194 VanDerWaalsContact CD1-CD1 3.42Å; I155-I194 HydrophobicContact CD1-CG1 3.86Å
156E83.8Confident86.3Confident192 Ų19260.5 Ų60.590%0.89732%0.319SS*.  trans-75.3129.7172.9-63.6-172.7167.400111
157F84.2Confident85.7Confident40 Ų4064.5 Ų64.518%0.17535%0.348CS..  trans-86.6120.1179.2176.5-98.2000111.5E143 L146 K147 C150 C159 L162E143-F157 HydrophobicContact CG-CE1 3.78Å; L146-F157 HydrophobicContact CB-CD2 3.9Å; L146-F157 HydrophobicContact CB-CE2 3.47Å; L146-F157 VanDerWaalsContact CB-CE2 3.47Å; L146-F157 HydrophobicContact CB-CZ 3.97Å; L146-F157 HydrophobicContact CD1-CE2 3.8Å; L146-F157 HydrophobicContact CD1-CZ 4.01Å; L146-F157 HydrophobicContact CG-CE2 4.3Å; K147-F157 HydrophobicContact CD-CD1 4.28Å; K147-F157 HydrophobicContact CG-CB 3.85Å; K147-F157 HydrophobicContact CG-CD1 3.5Å; K147-F157 HydrophobicContact CG-CE1 4.3Å; K147-F157 HydrophobicContact CG-CG 3.81Å; C150-F157 HydrophobicContact CB-CB 4.01Å; F157-C159 HydrophobicContact CE1-CB 4.21Å; F157-L162 HydrophobicContact CZ-CB 4.02Å; F157-L162 HydrophobicContact CZ-CD1 3.96Å
158N81Confident85.1Confident84 Ų8467.2 Ų67.245%0.44936%0.362SS..  trans-84.9114.2173.4-178.112000111V160N158-V160 VanDerWaalsContact C-N 3.34Å; N158-V160 WeakPolarHBondContact OD1-CB 3.21Å; N158-V160 WeakPolarHBondContact OD1-CG2 3.42Å; N158-V160 PolarHBondContact OD1-N 3Å
159C80.1Confident84.1Confident46 Ų4668.7 Ų68.731%0.31137%0.372SS..SBendtrans-71.1-24.9177.560.70000113.7F157 E161 L162 D163F157-C159 HydrophobicContact CE1-CB 4.21Å; C159-E161 VanDerWaalsContact C-N 3.34Å; C159-E161 PolarHBondContact O-N 3.15Å; C159-L162 CarbonylContact O-C 3.4Å; C159-L162 WeakPolarHBondContact O-CA 3.38Å; C159-L162 WeakPolarHBondContact O-CB 3.48Å; C159-L162 PolarHBondContact O-N 3.03Å; C159-D163 PolarHBondContact O-N 3.49Å
160V80.8Confident82.7Confident79 Ų7972.9 Ų72.948%0.47940%0.401SS..Hα-helixtrans-62.5-39.4-174.2-176.20000112N158 L162 D163 D164N158-V160 VanDerWaalsContact C-N 3.34Å; N158-V160 WeakPolarHBondContact OD1-CB 3.21Å; N158-V160 WeakPolarHBondContact OD1-CG2 3.42Å; N158-V160 PolarHBondContact OD1-N 3Å; V160-L162 PolarHBondContact O-N 2.68Å; V160-D163 PolarHBondContact O-N 3.31Å; V160-D164 WeakPolarHBondContact O-CB 3.37Å; V160-D164 PolarHBondContact O-N 3.26Å
161E76.3Confident81.4Confident95 Ų9575 Ų7544%0.44442%0.423SS..Hα-helixtrans-66.5-23.6176.3-66.5-170.6-162.400113.1C159 F165C159-E161 VanDerWaalsContact C-N 3.34Å; C159-E161 PolarHBondContact O-N 3.15Å; E161-F165 PolarHBondContact O-N 3Å
162L82.4Confident80.4Confident11 Ų1169.8 Ų69.86%0.05840%0.397CS..Hα-helixtrans-82.9-42.8174.5172142.5000110.9V142 E143 L146 F157 C159 V160 D164 F165 F166V142-L162 HydrophobicContact CG1-CD1 3.95Å; E143-L162 HydrophobicContact CB-CD1 4.36Å; E143-L162 HydrophobicContact CG-CD2 4.46Å; L146-L162 HydrophobicContact CD1-CD1 3.76Å; F157-L162 HydrophobicContact CZ-CB 4.02Å; F157-L162 HydrophobicContact CZ-CD1 3.96Å; C159-L162 CarbonylContact O-C 3.4Å; C159-L162 WeakPolarHBondContact O-CA 3.38Å; C159-L162 WeakPolarHBondContact O-CB 3.48Å; C159-L162 PolarHBondContact O-N 3.03Å; V160-L162 PolarHBondContact O-N 2.68Å; L162-D164 VanDerWaalsContact C-N 3.32Å; L162-D164 PolarHBondContact O-N 2.85Å; L162-F165 WeakPolarHBondContact O-CB 3.23Å; L162-F165 PolarHBondContact O-N 2.93Å; L162-F165 VanDerWaalsContact O-N 3.1Å; L162-F166 HydrophobicContact CD1-CE2 3.96Å; L162-F166 HydrophobicContact CD2-CD2 3.64Å; L162-F166 HydrophobicContact CD2-CE2 3.75Å; L162-F166 HydrophobicContact CG-CD2 3.7Å; L162-F166 HydrophobicContact CG-CE2 3.64Å; L162-F166 VanDerWaalsContact O-CD2 3.27Å; L162-F166 WeakPolarHBondContact O-CD2 3.22Å; L162-F166 PolarHBondContact O-N 3.33Å
163D82.2Confident79.3Confident81 Ų8174.2 Ų74.243%0.43341%0.413SS..Hα-helixtrans-60.9-40.7175.1-65.8-36.3000111.4C159 V160 F165 F166 S167C159-D163 PolarHBondContact O-N 3.49Å; V160-D163 PolarHBondContact O-N 3.31Å; D163-F165 VanDerWaalsContact C-N 3.34Å; D163-F165 PolarHBondContact O-N 2.91Å; D163-F166 PolarHBondContact O-N 3.41Å; D163-S167 VanDerWaalsContact O-CB 3.29Å; D163-S167 WeakPolarHBondContact O-CB 3.41Å; D163-S167 PolarHBondContact O-N 3.01Å; D163-S167 PolarHBondContact O-OG 3.42Å
164D82.9Confident78.8Confident90 Ų9080.1 Ų80.148%0.48145%0.445SS..Hα-helixtrans-60.5-41172.1-83.7-19.8000112.1V160 L162 S167 Q168V160-D164 WeakPolarHBondContact O-CB 3.37Å; V160-D164 PolarHBondContact O-N 3.26Å; L162-D164 VanDerWaalsContact C-N 3.32Å; L162-D164 PolarHBondContact O-N 2.85Å; D164-S167 PolarHBondContact O-N 3.16Å; D164-Q168 VanDerWaalsContact O-CG 3.27Å; D164-Q168 WeakPolarHBondContact O-CG 3.38Å; D164-Q168 PolarHBondContact O-N 3.49Å; D164-Q168 VanDerWaalsContact O-N 3.09Å; D164-Q168 PolarHBondContact O-NE2 2.93Å
165F82.4Confident78.8Confident37 Ų3775 Ų7516%0.16241%0.411CS..Hα-helixtrans-69.5-37.7178.9177.2-97.8000112.5E161 L162 D163 S167 H172 I176 V180 M184E161-F165 PolarHBondContact O-N 3Å; L162-F165 WeakPolarHBondContact O-CB 3.23Å; L162-F165 PolarHBondContact O-N 2.93Å; L162-F165 VanDerWaalsContact O-N 3.1Å; D163-F165 VanDerWaalsContact C-N 3.34Å; D163-F165 PolarHBondContact O-N 2.91Å; F165-S167 VanDerWaalsContact C-N 3.31Å; F165-H172 AromaticContact CZ-CE1 3.99Å; F165-I176 HydrophobicContact CE1-CG2 4.4Å; F165-V180 HydrophobicContact CE1-CG1 4.24Å; F165-V180 HydrophobicContact CZ-CG1 3.81Å; F165-M184 HydrophobicContact CD1-SD 3.93Å; F165-M184 HydrophobicContact CE1-CG 4.39Å; F165-M184 HydrophobicContact CE1-SD 3.82Å; F165-M184 HydrophobicContact CE2-CB 4.49Å; F165-M184 HydrophobicContact CE2-CG 4.44Å; F165-M184 HydrophobicContact CG-SD 4.47Å; F165-M184 HydrophobicContact CZ-CB 4.12Å; F165-M184 HydrophobicContact CZ-CG 4.26Å; F165-M184 HydrophobicContact CZ-SD 4.28Å
166F83.2Confident79Confident14 Ų1471.7 Ų71.76%0.06139%0.393CS..Hα-helixtrans-72.8-22.8172.5-81.2-70.1000113.2P139 V142 L162 D163 H172 I176P139-F166 HydrophobicContact CB-CD1 4.45Å; P139-F166 HydrophobicContact CB-CD2 4.27Å; P139-F166 HydrophobicContact CB-CE1 4.13Å; P139-F166 HydrophobicContact CB-CE2 3.94Å; P139-F166 HydrophobicContact CB-CZ 3.87Å; P139-F166 HydrophobicContact CG-CD1 3.96Å; P139-F166 HydrophobicContact CG-CE1 3.68Å; P139-F166 HydrophobicContact CG-CE2 4.39Å; P139-F166 HydrophobicContact CG-CG 4.44Å; P139-F166 HydrophobicContact CG-CZ 3.94Å; V142-F166 HydrophobicContact CB-CZ 4.34Å; V142-F166 HydrophobicContact CG2-CZ 4.19Å; L162-F166 HydrophobicContact CD1-CE2 3.96Å; L162-F166 HydrophobicContact CD2-CD2 3.64Å; L162-F166 HydrophobicContact CD2-CE2 3.75Å; L162-F166 HydrophobicContact CG-CD2 3.7Å; L162-F166 HydrophobicContact CG-CE2 3.64Å; L162-F166 VanDerWaalsContact O-CD2 3.27Å; L162-F166 WeakPolarHBondContact O-CD2 3.22Å; L162-F166 PolarHBondContact O-N 3.33Å; D163-F166 PolarHBondContact O-N 3.41Å; F166-H172 HydrophobicContact CD1-CB 3.67Å; F166-H172 WeakPolarHBondContact CD1-O 3.35Å; F166-H172 HydrophobicContact CE1-CB 4.09Å; F166-H172 VanDerWaalsContact CE1-O 3.26Å; F166-H172 WeakPolarHBondContact CE1-O 3.49Å; F166-I176 HydrophobicContact CE1-CG2 3.85Å; F166-I176 HydrophobicContact CZ-CD1 4.49Å; F166-I176 HydrophobicContact CZ-CG2 4.34Å
167S80.7Confident79.4Confident87 Ų8764.7 Ų64.761%0.60836%0.364SS*.Hα-helixtrans-83.6-22.3176.3-59.70000113.6D163 D164 F165D163-S167 VanDerWaalsContact O-CB 3.29Å; D163-S167 WeakPolarHBondContact O-CB 3.41Å; D163-S167 PolarHBondContact O-N 3.01Å; D163-S167 PolarHBondContact O-OG 3.42Å; D164-S167 PolarHBondContact O-N 3.16Å; F165-S167 VanDerWaalsContact C-N 3.31Å
168Q79.3Confident79.7Confident135 Ų13562.8 Ų62.863%0.63136%0.356SS*.SBendtrans-72.4-23.1-178.5-83.5159.252.600114.5D164D164-Q168 VanDerWaalsContact O-CG 3.27Å; D164-Q168 WeakPolarHBondContact O-CG 3.38Å; D164-Q168 PolarHBondContact O-N 3.49Å; D164-Q168 VanDerWaalsContact O-N 3.09Å; D164-Q168 PolarHBondContact O-NE2 2.93Å
169D73.9Confident80.2Confident76 Ų7661.7 Ų61.741%0.40635%0.345SS..  trans-138.9122173.9-173.6-13.4000110.2G171 H172D169-G171 PolarHBondContact O-N 3.26Å; D169-G171 PolarHBondContact OD1-N 2.92Å; D169-H172 PolarHBondContact O-N 2.92Å
170S63.6Low80.6Confident91 Ų9161 Ų6164%0.63634%0.339SS*.G310 helixtrans-59.3-26.2177.356.40000113.1H172 Q173S170-H172 VanDerWaalsContact C-N 3.26Å; S170-H172 PolarHBondContact O-N 3.39Å; S170-Q173 PolarHBondContact O-N 2.96Å
171G63Low81.2Confident47 Ų4757.2 Ų57.249%0.48532%0.317SS..G310 helixtrans-63.2-29.4174.300000113.6D169D169-G171 PolarHBondContact O-N 3.26Å; D169-G171 PolarHBondContact OD1-N 2.92Å
172H72.5Confident81.9Confident29 Ų2952.8 Ų52.813%0.13430%0.296CS..G310 helixtrans-77.4-17.9-178.2-62.8163.1000113.6F165 F166 D169 S170 N174 G175 I176F165-H172 AromaticContact CZ-CE1 3.99Å; F166-H172 HydrophobicContact CD1-CB 3.67Å; F166-H172 WeakPolarHBondContact CD1-O 3.35Å; F166-H172 HydrophobicContact CE1-CB 4.09Å; F166-H172 VanDerWaalsContact CE1-O 3.26Å; F166-H172 WeakPolarHBondContact CE1-O 3.49Å; D169-H172 PolarHBondContact O-N 2.92Å; S170-H172 VanDerWaalsContact C-N 3.26Å; S170-H172 PolarHBondContact O-N 3.39Å; H172-N174 PolarHBondContact O-N 2.91Å; H172-N174 VanDerWaalsContact O-N 3.13Å; H172-G175 WeakPolarHBondContact O-CA 3.5Å; H172-G175 PolarHBondContact O-N 2.84Å; H172-I176 HydrophobicContact CB-CG2 3.94Å
173Q68.9Low82.1Confident122 Ų12259 Ų5957%0.5733%0.325SS*.G310 helixtrans-60.4-27.6-175.2-63.6-177.21.100113.4S170S170-Q173 PolarHBondContact O-N 2.96Å
174N78.9Confident82.4Confident139 Ų13955.8 Ų55.874%0.74331%0.307SS*.G310 helixtrans-91.52.8175.7-68-37.6000113.7H172H172-N174 PolarHBondContact O-N 2.91Å; H172-N174 VanDerWaalsContact O-N 3.13Å
175G87.3Confident82.6Confident8 Ų851.7 Ų51.78%0.08229%0.285CS..  trans116.9164.5-176.800000113.8M137 H172M137-G175 CarbonylContact O-C 3.55Å; M137-G175 WeakPolarHBondContact O-CA 3.45Å; H172-G175 WeakPolarHBondContact O-CA 3.5Å; H172-G175 PolarHBondContact O-N 2.84Å
176I91.4Very high82.8Confident2 Ų250.7 Ų50.71%0.0128%0.281CS..BIsolated β-bridgetrans-112.7152.2-178.256177.2000112.3F125 V136 M137 V142 F165 F166 H172 V180 F181F125-I176 WeakPolarHBondContact CE2-O 3.33Å; F125-I176 WeakPolarHBondContact CZ-O 3.42Å; V136-I176 CarbonylContact C-O 3.15Å; V136-I176 WeakPolarHBondContact CA-O 3.5Å; M137-I176 PolarHBondContact N-O 3.04Å; M137-I176 PolarHBondContact O-N 3.05Å; V142-I176 HydrophobicContact CG1-CD1 4.2Å; V142-I176 HydrophobicContact CG2-CD1 3.75Å; V142-I176 HydrophobicContact CG2-CG1 3.83Å; F165-I176 HydrophobicContact CE1-CG2 4.4Å; F166-I176 HydrophobicContact CE1-CG2 3.85Å; F166-I176 HydrophobicContact CZ-CD1 4.49Å; F166-I176 HydrophobicContact CZ-CG2 4.34Å; H172-I176 HydrophobicContact CB-CG2 3.94Å; I176-V180 HydrophobicContact CB-CB 4.19Å; I176-V180 HydrophobicContact CB-CG1 3.96Å; I176-V180 HydrophobicContact CG2-CG1 3.79Å; I176-F181 HydrophobicContact CD1-CB 3.85Å; I176-F181 HydrophobicContact CD1-CD2 4.07Å; I176-F181 HydrophobicContact CD1-CG 4.45Å; I176-F181 HydrophobicContact CG1-CB 4.43Å
177T91.9Very high82.8Confident46 Ų4652.8 Ų52.828%0.28230%0.298SS..  trans-81162.2171.469.40000111.3V136 W179 V180 F181V136-T177 HydrophobicContact CG1-CG2 4.41Å; T177-W179 PolarHBondContact O-N 3.14Å; T177-V180 PolarHBondContact O-N 2.91Å; T177-V180 VanDerWaalsContact O-N 3.17Å; T177-F181 PolarHBondContact O-N 2.85Å
178V91.8Very high82.6Confident0 Ų049 Ų490%027%0.273CS..Hα-helixtrans-59.9-29.3-179.675.10000113.4Y13 W122 F125 F181 L182Y13-V178 HydrophobicContact CE1-CG1 3.78Å; Y13-V178 HydrophobicContact CE2-CG1 4.46Å; Y13-V178 WeakPolarHBondContact OH-CG1 3.32Å; W122-V178 HydrophobicContact CB-CG2 4.19Å; W122-V178 HydrophobicContact CG-CG2 4.2Å; F125-V178 HydrophobicContact CB-CB 4.35Å; F125-V178 HydrophobicContact CB-CG2 3.63Å; F125-V178 HydrophobicContact CD1-CB 3.58Å; F125-V178 HydrophobicContact CD1-CG2 3.8Å; F125-V178 HydrophobicContact CD2-CB 3.86Å; F125-V178 HydrophobicContact CD2-CG2 3.89Å; F125-V178 HydrophobicContact CE1-CB 3.77Å; F125-V178 HydrophobicContact CE1-CG2 4.47Å; F125-V178 HydrophobicContact CE2-CB 4.02Å; F125-V178 VanDerWaalsContact CE2-N 3.31Å; F125-V178 HydrophobicContact CG-CB 3.66Å; F125-V178 HydrophobicContact CG-CG2 3.49Å; F125-V178 VanDerWaalsContact CG-CG2 3.49Å; F125-V178 HydrophobicContact CZ-CB 3.99Å; V178-F181 PolarHBondContact O-N 3.3Å; V178-L182 HydrophobicContact CG2-CD1 4.13Å; V178-L182 HydrophobicContact CG2-CG 4.32Å; V178-L182 WeakPolarHBondContact O-CB 3.49Å; V178-L182 VanDerWaalsContact O-CG 3.26Å; V178-L182 WeakPolarHBondContact O-CG 3.44Å; V178-L182 PolarHBondContact O-N 2.94Å
179W90.3Very high82.5Confident60 Ų6048 Ų4823%0.22727%0.266CS..Hα-helixtrans-70.8-42.9178.5-46.1119.1000111.4Y13 W95 T98 N102 T177 L182 Q183Y13-W179 AromaticContact CD1-CZ2 3.88Å; Y13-W179 HydrophobicContact CD1-CZ2 3.88Å; Y13-W179 AromaticContact CE1-CZ2 3.83Å; Y13-W179 HydrophobicContact CE1-CZ2 3.83Å; W95-W179 HydrophobicContact CZ3-CZ3 4.45Å; T98-W179 HydrophobicContact CG2-CH2 3.45Å; T98-W179 VanDerWaalsContact CG2-CH2 3.45Å; T98-W179 HydrophobicContact CG2-CZ2 3.46Å; T98-W179 VanDerWaalsContact CG2-CZ2 3.46Å; N102-W179 HydrophobicContact CB-CD2 3.85Å; N102-W179 HydrophobicContact CB-CE3 3.86Å; N102-W179 HydrophobicContact CB-CH2 3.71Å; N102-W179 HydrophobicContact CB-CZ2 3.63Å; N102-W179 HydrophobicContact CB-CZ3 3.8Å; N102-W179 WeakPolarHBondContact ND2-CZ2 3.33Å; T177-W179 PolarHBondContact O-N 3.14Å; W179-L182 HydrophobicContact CE3-CD1 4.4Å; W179-L182 HydrophobicContact CZ3-CD1 4.36Å; W179-L182 PolarHBondContact O-N 3.41Å; W179-Q183 VanDerWaalsContact O-CB 3.27Å; W179-Q183 WeakPolarHBondContact O-CB 3.48Å; W179-Q183 PolarHBondContact O-N 3.42Å
180V89.9Confident82.4Confident32 Ų3246.2 Ų46.219%0.19426%0.257CS..Hα-helixtrans-64.4-42.8173.3174.50000110.6F165 I176 T177 Q183 M184F165-V180 HydrophobicContact CE1-CG1 4.24Å; F165-V180 HydrophobicContact CZ-CG1 3.81Å; I176-V180 HydrophobicContact CB-CB 4.19Å; I176-V180 HydrophobicContact CB-CG1 3.96Å; I176-V180 HydrophobicContact CG2-CG1 3.79Å; T177-V180 PolarHBondContact O-N 2.91Å; T177-V180 VanDerWaalsContact O-N 3.17Å; V180-Q183 PolarHBondContact O-N 3.02Å; V180-M184 WeakPolarHBondContact O-CB 3.3Å; V180-M184 PolarHBondContact O-N 3.46Å
181F91.7Very high82.9Confident0 Ų042.9 Ų42.90%023%0.233CC..Hα-helixtrans-61.7-47.4175.9177.5-110.4000112.4L121 F125 V142 L145 L146 I176 T177 V178 Q183 M184 M185L121-F181 HydrophobicContact CB-CE1 4.1Å; L121-F181 HydrophobicContact CD2-CE1 3.95Å; L121-F181 HydrophobicContact CD2-CZ 4.09Å; F125-F181 HydrophobicContact CD2-CB 4.17Å; F125-F181 HydrophobicContact CD2-CD1 4.23Å; F125-F181 HydrophobicContact CD2-CG 4.32Å; F125-F181 HydrophobicContact CE2-CB 4.4Å; V142-F181 HydrophobicContact CG1-CD2 4.3Å; V142-F181 HydrophobicContact CG1-CE2 4.31Å; L145-F181 HydrophobicContact CD2-CE1 3.91Å; L145-F181 HydrophobicContact CD2-CE2 4.15Å; L145-F181 HydrophobicContact CD2-CZ 3.41Å; L145-F181 VanDerWaalsContact CD2-CZ 3.41Å; L145-F181 HydrophobicContact CG-CZ 4.29Å; L146-F181 HydrophobicContact CD2-CE2 4.23Å; I176-F181 HydrophobicContact CD1-CB 3.85Å; I176-F181 HydrophobicContact CD1-CD2 4.07Å; I176-F181 HydrophobicContact CD1-CG 4.45Å; I176-F181 HydrophobicContact CG1-CB 4.43Å; T177-F181 PolarHBondContact O-N 2.85Å; V178-F181 PolarHBondContact O-N 3.3Å; F181-Q183 VanDerWaalsContact C-N 3.35Å; F181-Q183 PolarHBondContact O-N 2.86Å; F181-M184 HydrophobicContact CD2-CE 3.54Å; F181-M184 HydrophobicContact CE2-CE 3.72Å; F181-M184 WeakPolarHBondContact O-CB 3.44Å; F181-M184 PolarHBondContact O-N 3.3Å; F181-M185 HydrophobicContact CE1-CG 4.38Å; F181-M185 HydrophobicContact CE2-CG 4.22Å; F181-M185 HydrophobicContact CE2-SD 4.46Å; F181-M185 HydrophobicContact CZ-CG 4.05Å; F181-M185 HydrophobicContact CZ-SD 4.41Å; F181-M185 WeakPolarHBondContact O-CG 3.47Å; F181-M185 PolarHBondContact O-N 2.78Å
182L90.8Very high83.3Confident1 Ų149.8 Ų49.81%0.00524%0.244CC..Hα-helixtrans-66.3-34.9176.3-72.3172.6000112.1W95 Y103 A118 L121 V178 W179 M185 N186W95-L182 HydrophobicContact CH2-CD1 4.02Å; W95-L182 HydrophobicContact CZ3-CD1 4.16Å; Y103-L182 HydrophobicContact CD2-CB 4.31Å; Y103-L182 HydrophobicContact CD2-CD1 3.95Å; Y103-L182 HydrophobicContact CE2-CB 3.99Å; Y103-L182 HydrophobicContact CE2-CD1 4.16Å; A118-L182 HydrophobicContact CB-CD2 4.26Å; L121-L182 HydrophobicContact CB-CD2 3.72Å; L121-L182 HydrophobicContact CD1-CD2 4.26Å; V178-L182 HydrophobicContact CG2-CD1 4.13Å; V178-L182 HydrophobicContact CG2-CG 4.32Å; V178-L182 WeakPolarHBondContact O-CB 3.49Å; V178-L182 VanDerWaalsContact O-CG 3.26Å; V178-L182 WeakPolarHBondContact O-CG 3.44Å; V178-L182 PolarHBondContact O-N 2.94Å; W179-L182 HydrophobicContact CE3-CD1 4.4Å; W179-L182 HydrophobicContact CZ3-CD1 4.36Å; W179-L182 PolarHBondContact O-N 3.41Å; L182-M185 PolarHBondContact O-N 3.16Å; L182-N186 WeakPolarHBondContact O-CB 3.48Å; L182-N186 PolarHBondContact O-N 2.95Å; L182-N186 PolarHBondContact O-ND2 2.87Å
183Q88.2Confident83.3Confident143 Ų14353.7 Ų53.767%0.66828%0.281SS*.Hα-helixtrans-66.1-42.5173.4-176.5178.9-4.200111.6W179 V180 F181 M185 N186 S187W179-Q183 VanDerWaalsContact O-CB 3.27Å; W179-Q183 WeakPolarHBondContact O-CB 3.48Å; W179-Q183 PolarHBondContact O-N 3.42Å; V180-Q183 PolarHBondContact O-N 3.02Å; F181-Q183 VanDerWaalsContact C-N 3.35Å; F181-Q183 PolarHBondContact O-N 2.86Å; Q183-M185 VanDerWaalsContact C-N 3.35Å; Q183-M185 PolarHBondContact O-N 2.77Å; Q183-N186 PolarHBondContact O-N 3.14Å; Q183-S187 PolarHBondContact O-N 3.08Å
184M87Confident83.9Confident13 Ų1349.6 Ų49.66%0.06426%0.263CS..Hα-helixtrans-59.1-44.5174-179.1-171.271.400111.1V142 L146 F165 V180 F181 S187 I190V142-M184 HydrophobicContact CG1-CE 4.04Å; L146-M184 HydrophobicContact CD1-CE 3.88Å; L146-M184 HydrophobicContact CD2-CE 4.34Å; F165-M184 HydrophobicContact CD1-SD 3.93Å; F165-M184 HydrophobicContact CE1-CG 4.39Å; F165-M184 HydrophobicContact CE1-SD 3.82Å; F165-M184 HydrophobicContact CE2-CB 4.49Å; F165-M184 HydrophobicContact CE2-CG 4.44Å; F165-M184 HydrophobicContact CG-SD 4.47Å; F165-M184 HydrophobicContact CZ-CB 4.12Å; F165-M184 HydrophobicContact CZ-CG 4.26Å; F165-M184 HydrophobicContact CZ-SD 4.28Å; V180-M184 WeakPolarHBondContact O-CB 3.3Å; V180-M184 PolarHBondContact O-N 3.46Å; F181-M184 HydrophobicContact CD2-CE 3.54Å; F181-M184 HydrophobicContact CE2-CE 3.72Å; F181-M184 WeakPolarHBondContact O-CB 3.44Å; F181-M184 PolarHBondContact O-N 3.3Å; M184-S187 WeakPolarHBondContact O-CB 3.19Å; M184-S187 PolarHBondContact O-N 2.91Å; M184-S187 PolarHBondContact O-OG 2.87Å; M184-I190 HydrophobicContact CE-CD1 3.86Å; M184-I190 HydrophobicContact CG-CD1 3.97Å; M184-I190 HydrophobicContact SD-CD1 4.1Å
185M87.6Confident84.1Confident4 Ų447.2 Ų47.22%0.0225%0.25CC..Hα-helixtrans-65.9-44.8175.3-66.4-64.3-69.700112.3L113 L121 L146 I149 F181 L182 Q183 S187 G188 I190L113-M185 HydrophobicContact CD1-CB 3.83Å; L121-M185 HydrophobicContact CD1-CB 4.35Å; L121-M185 HydrophobicContact CD1-CE 4.14Å; L121-M185 HydrophobicContact CD1-CG 4.19Å; L121-M185 HydrophobicContact CD2-CE 4.34Å; L146-M185 HydrophobicContact CD2-SD 3.6Å; L146-M185 VanDerWaalsContact CD2-SD 3.6Å; I149-M185 HydrophobicContact CD1-CE 4.42Å; F181-M185 HydrophobicContact CE1-CG 4.38Å; F181-M185 HydrophobicContact CE2-CG 4.22Å; F181-M185 HydrophobicContact CE2-SD 4.46Å; F181-M185 HydrophobicContact CZ-CG 4.05Å; F181-M185 HydrophobicContact CZ-SD 4.41Å; F181-M185 WeakPolarHBondContact O-CG 3.47Å; F181-M185 PolarHBondContact O-N 2.78Å; L182-M185 PolarHBondContact O-N 3.16Å; Q183-M185 VanDerWaalsContact C-N 3.35Å; Q183-M185 PolarHBondContact O-N 2.77Å; M185-S187 PolarHBondContact O-N 3.45Å; M185-G188 PolarHBondContact O-N 2.98Å; M185-I190 HydrophobicContact SD-CD1 4.18Å
186N86.5Confident83.9Confident15 Ų1551.7 Ų51.78%0.0827%0.267CS..Hα-helixtrans-65.4-20.5175.9-80.4-72.5000113.7Y103 S111 V112 L113 L182 Q183 G188Y103-N186 WeakPolarHBondContact CE2-ND2 3.31Å; Y103-N186 PolarHBondContact OH-ND2 3.07Å; Y103-N186 PolarHBondContact OH-OD1 3.19Å; S111-N186 WeakPolarHBondContact CB-O 3.21Å; S111-N186 PolarHBondContact OG-O 3.47Å; V112-N186 WeakPolarHBondContact CA-OD1 3.42Å; L113-N186 PolarHBondContact N-OD1 2.99Å; L182-N186 WeakPolarHBondContact O-CB 3.48Å; L182-N186 PolarHBondContact O-N 2.95Å; L182-N186 PolarHBondContact O-ND2 2.87Å; Q183-N186 PolarHBondContact O-N 3.14Å; N186-G188 PolarHBondContact O-N 3.38Å
187S83Confident83.8Confident58 Ų5854.7 Ų54.741%0.40629%0.288SS..THydrogen-bonded Turntrans-64.6-15.8174.381.70000113.3Q183 M184 M185 K189Q183-S187 PolarHBondContact O-N 3.08Å; M184-S187 WeakPolarHBondContact O-CB 3.19Å; M184-S187 PolarHBondContact O-N 2.91Å; M184-S187 PolarHBondContact O-OG 2.87Å; M185-S187 PolarHBondContact O-N 3.45Å; S187-K189 PolarHBondContact O-N 3.48Å; S187-K189 VanDerWaalsContact O-N 3.1Å
188G76.3Confident83.7Confident9 Ų956 Ų569%0.09329%0.293CS..THydrogen-bonded Turntrans67.75.6176.800000115.1M185 N186 T191 R192M185-G188 PolarHBondContact O-N 2.98Å; N186-G188 PolarHBondContact O-N 3.38Å; G188-T191 CarbonylContact O-C 3.56Å; G188-R192 VanDerWaalsContact O-CA 3.28Å; G188-R192 WeakPolarHBondContact O-CA 3.47Å; G188-R192 VanDerWaalsContact O-CB 3.31Å; G188-R192 WeakPolarHBondContact O-CB 3.47Å; G188-R192 PolarHBondContact O-N 3.49Å
189K77.5Confident83.6Confident112 Ų11256.5 Ų56.549%0.48730%0.296SS..SBendtrans-58.6-56.7178.2-70.6-178.9177.4-1750111.5S187 T191 R192S187-K189 PolarHBondContact O-N 3.48Å; S187-K189 VanDerWaalsContact O-N 3.1Å; K189-T191 VanDerWaalsContact C-N 3.3Å; K189-T191 PolarHBondContact O-N 3.18Å; K189-R192 VanDerWaalsContact O-CB 3.31Å; K189-R192 WeakPolarHBondContact O-CB 3.31Å; K189-R192 PolarHBondContact O-N 3.48Å
190I72.2Confident83.8Confident40 Ų4055.1 Ų55.121%0.20530%0.296CS..THydrogen-bonded Turntrans-65.9-32-176.8-60.8153.3000111.8L146 M184 M185L146-I190 HydrophobicContact CD1-CD1 3.71Å; L146-I190 HydrophobicContact CD2-CD1 3.99Å; L146-I190 HydrophobicContact CD2-CG2 4.48Å; M184-I190 HydrophobicContact CE-CD1 3.86Å; M184-I190 HydrophobicContact CG-CD1 3.97Å; M184-I190 HydrophobicContact SD-CD1 4.1Å; M185-I190 HydrophobicContact SD-CD1 4.18Å
191T73.8Confident83.9Confident21 Ų2159.1 Ų59.113%0.12931%0.313CS..THydrogen-bonded Turntrans-103.718.6-177.456.30000113.1G188 K189 A193 I194 T199G188-T191 CarbonylContact O-C 3.56Å; K189-T191 VanDerWaalsContact C-N 3.3Å; K189-T191 PolarHBondContact O-N 3.18Å; T191-A193 PolarHBondContact O-N 3.37Å; T191-I194 WeakPolarHBondContact O-CB 3.48Å; T191-I194 PolarHBondContact O-N 2.98Å; T191-I194 VanDerWaalsContact O-N 3.1Å; T191-T199 HydrophobicContact CG2-CG2 3.82Å
192R71.6Confident84Confident192 Ų19259.2 Ų59.273%0.72531%0.314SS*.THydrogen-bonded Turntrans-63.9130.5-172.8-168.1171.260.6169.8-3.6110.9G188 K189 I194G188-R192 VanDerWaalsContact O-CA 3.28Å; G188-R192 WeakPolarHBondContact O-CA 3.47Å; G188-R192 VanDerWaalsContact O-CB 3.31Å; G188-R192 WeakPolarHBondContact O-CB 3.47Å; G188-R192 PolarHBondContact O-N 3.49Å; K189-R192 VanDerWaalsContact O-CB 3.31Å; K189-R192 WeakPolarHBondContact O-CB 3.31Å; K189-R192 PolarHBondContact O-N 3.48Å; R192-I194 PolarHBondContact O-N 2.92Å
193A71.9Confident84.2Confident110 Ų11059.2 Ų59.291%0.90931%0.314SS*.THydrogen-bonded Turntrans64.39.3-175.300000116.2T191T191-A193 PolarHBondContact O-N 3.37Å
194I81.3Confident84.5Confident36 Ų3654.3 Ų54.319%0.18529%0.291CS..  trans-86.7143.4167.6-46.9178000108.9M153 I155 T191 R192 I198M153-I194 HydrophobicContact CE-CD1 3.48Å; M153-I194 VanDerWaalsContact CE-CD1 3.48Å; M153-I194 HydrophobicContact SD-CD1 3.6Å; M153-I194 VanDerWaalsContact SD-CD1 3.6Å; M153-I194 HydrophobicContact SD-CG2 4.07Å; I155-I194 HydrophobicContact CD1-CD1 3.42Å; I155-I194 VanDerWaalsContact CD1-CD1 3.42Å; I155-I194 HydrophobicContact CD1-CG1 3.86Å; T191-I194 WeakPolarHBondContact O-CB 3.48Å; T191-I194 PolarHBondContact O-N 2.98Å; T191-I194 VanDerWaalsContact O-N 3.1Å; R192-I194 PolarHBondContact O-N 2.92Å; I194-I198 HydrophobicContact CG2-CB 4.06Å; I194-I198 HydrophobicContact CG2-CG2 4.08Å
195D83.7Confident84.9Confident89 Ų8959 Ų5948%0.47631%0.313SS..  trans-68.3147.9171.5-179.359.7000112.5S197 I198 T199D195-S197 VanDerWaalsContact C-N 3.32Å; D195-S197 PolarHBondContact O-N 3.08Å; D195-S197 WeakPolarHBondContact OD2-CA 3.24Å; D195-S197 VanDerWaalsContact OD2-CB 3.22Å; D195-S197 WeakPolarHBondContact OD2-CB 3.46Å; D195-S197 PolarHBondContact OD2-N 3.36Å; D195-S197 PolarHBondContact OD2-OG 2.89Å; D195-I198 HydrophobicContact CB-CD1 4.09Å; D195-I198 HydrophobicContact CB-CG1 4.22Å; D195-I198 PolarHBondContact O-N 2.71Å; D195-T199 PolarHBondContact O-N 2.85Å; D195-T199 VanDerWaalsContact O-N 3.11Å; D195-T199 PolarHBondContact O-OG1 2.94Å
196K84.3Confident85.3Confident103 Ų10359 Ų5945%0.44831%0.313SS..Hα-helixtrans-64.7-32.8-178.9-68.1-161.3176.6-163.20113.1I110 V112 T199 S200I110-K196 WeakPolarHBondContact O-CE 3.45Å; I110-K196 PolarHBondContact O-NZ 2.94Å; V112-K196 PolarHBondContact O-NZ 3.36Å; K196-T199 PolarHBondContact O-N 2.83Å; K196-S200 WeakPolarHBondContact O-CB 3.39Å; K196-S200 PolarHBondContact O-N 3.5Å
197S88.6Confident85.8Confident65 Ų6559 Ų5946%0.45531%0.312SS..Hα-helixtrans-68.4-42.5177.870.70000111.6D195 T199 S200 M201D195-S197 VanDerWaalsContact C-N 3.32Å; D195-S197 PolarHBondContact O-N 3.08Å; D195-S197 WeakPolarHBondContact OD2-CA 3.24Å; D195-S197 VanDerWaalsContact OD2-CB 3.22Å; D195-S197 WeakPolarHBondContact OD2-CB 3.46Å; D195-S197 PolarHBondContact OD2-N 3.36Å; D195-S197 PolarHBondContact OD2-OG 2.89Å; S197-T199 VanDerWaalsContact C-N 3.33Å; S197-T199 PolarHBondContact O-N 3.22Å; S197-S200 PolarHBondContact O-N 2.67Å; S197-M201 WeakPolarHBondContact O-CG 3.39Å; S197-M201 PolarHBondContact O-N 2.9Å
198I90.3Very high86.3Confident73 Ų7359.1 Ų59.137%0.37430%0.304SS..Hα-helixtrans-60.7-45.2175.7-56.3174.9000110.1M153 I194 D195 S200 M201 A202M153-I198 HydrophobicContact CB-CG2 4.42Å; M153-I198 HydrophobicContact CG-CG2 4.22Å; I194-I198 HydrophobicContact CG2-CB 4.06Å; I194-I198 HydrophobicContact CG2-CG2 4.08Å; D195-I198 HydrophobicContact CB-CD1 4.09Å; D195-I198 HydrophobicContact CB-CG1 4.22Å; D195-I198 PolarHBondContact O-N 2.71Å; I198-S200 PolarHBondContact O-N 3.49Å; I198-M201 HydrophobicContact CG1-CE 4.41Å; I198-M201 PolarHBondContact O-N 3.41Å; I198-A202 WeakPolarHBondContact O-CB 3.38Å; I198-A202 PolarHBondContact O-N 3.31Å
199T90.1Very high87.1Confident11 Ų1160.8 Ų60.87%0.06731%0.309CS..Hα-helixtrans-60.7-45175.9-530000111.8T191 D195 K196 S197 A202 I203T191-T199 HydrophobicContact CG2-CG2 3.82Å; D195-T199 PolarHBondContact O-N 2.85Å; D195-T199 VanDerWaalsContact O-N 3.11Å; D195-T199 PolarHBondContact O-OG1 2.94Å; K196-T199 PolarHBondContact O-N 2.83Å; S197-T199 VanDerWaalsContact C-N 3.33Å; S197-T199 PolarHBondContact O-N 3.22Å; T199-A202 PolarHBondContact O-N 3.43Å; T199-I203 HydrophobicContact CG2-CD1 3.94Å; T199-I203 VanDerWaalsContact O-CG1 3.28Å; T199-I203 WeakPolarHBondContact O-CG1 3.45Å; T199-I203 PolarHBondContact O-N 2.67Å
200S92.7Very high87.9Confident31 Ų3155.4 Ų55.422%0.21729%0.286CS..Hα-helixtrans-66.2-38.6179-1690000112.8D117 K196 S197 I198 I203 E204D117-S200 PolarHBondContact OD1-OG 3.28Å; D117-S200 WeakPolarHBondContact OD2-CB 3.34Å; D117-S200 PolarHBondContact OD2-OG 3.48Å; K196-S200 WeakPolarHBondContact O-CB 3.39Å; K196-S200 PolarHBondContact O-N 3.5Å; S197-S200 PolarHBondContact O-N 2.67Å; I198-S200 PolarHBondContact O-N 3.49Å; S200-I203 PolarHBondContact O-N 3.17Å; S200-E204 PolarHBondContact O-N 3.28Å
201M92.9Very high88.9Confident115 Ų11554.7 Ų54.757%0.56728%0.283SS*.Hα-helixtrans-65.3-44.8174.5-72-174.7-62.500111.7S197 I198 I203 E204 E205S197-M201 WeakPolarHBondContact O-CG 3.39Å; S197-M201 PolarHBondContact O-N 2.9Å; I198-M201 HydrophobicContact CG1-CE 4.41Å; I198-M201 PolarHBondContact O-N 3.41Å; M201-I203 VanDerWaalsContact C-N 3.34Å; M201-I203 PolarHBondContact O-N 2.98Å; M201-E204 WeakPolarHBondContact O-CB 3.33Å; M201-E204 PolarHBondContact O-N 2.9Å; M201-E204 VanDerWaalsContact O-N 3.16Å; M201-E205 PolarHBondContact O-N 3.1Å
202A94.2Very high89.7Confident3 Ų354.7 Ų54.73%0.02529%0.287CS..Hα-helixtrans-63.4-38176.200000112.7I149 A152 M153 I198 T199 E205 V206I149-A202 HydrophobicContact CG2-CB 4.35Å; A152-A202 HydrophobicContact CB-CB 3.77Å; M153-A202 HydrophobicContact CG-CB 3.39Å; M153-A202 HydrophobicContact SD-CB 4.33Å; I198-A202 WeakPolarHBondContact O-CB 3.38Å; I198-A202 PolarHBondContact O-N 3.31Å; T199-A202 PolarHBondContact O-N 3.43Å; A202-E205 PolarHBondContact O-N 2.95Å; A202-V206 WeakPolarHBondContact O-CB 3.12Å; A202-V206 WeakPolarHBondContact O-CG2 3.36Å; A202-V206 PolarHBondContact O-N 3.46Å
203I95.2Very high90.6Very high0 Ų046.7 Ų46.70%026%0.259CS..Hα-helixtrans-68.1-36.9173.3-66.3166.1000110.9L113 D117 R120 L121 I149 T199 S200 M201 Y207L113-I203 HydrophobicContact CD2-CD1 4.23Å; D117-I203 HydrophobicContact CB-CD1 4.19Å; D117-I203 HydrophobicContact CB-CG2 4.2Å; R120-I203 HydrophobicContact CB-CG2 3.7Å; R120-I203 HydrophobicContact CG-CG2 4.49Å; L121-I203 HydrophobicContact CD1-CD1 3.94Å; L121-I203 HydrophobicContact CD2-CD1 4.49Å; L121-I203 HydrophobicContact CD2-CG1 4.38Å; L121-I203 HydrophobicContact CD2-CG2 4.37Å; L121-I203 HydrophobicContact CG-CD1 4.31Å; L121-I203 HydrophobicContact CG-CG2 4.08Å; I149-I203 HydrophobicContact CG2-CG1 4.43Å; T199-I203 HydrophobicContact CG2-CD1 3.94Å; T199-I203 VanDerWaalsContact O-CG1 3.28Å; T199-I203 WeakPolarHBondContact O-CG1 3.45Å; T199-I203 PolarHBondContact O-N 2.67Å; S200-I203 PolarHBondContact O-N 3.17Å; M201-I203 VanDerWaalsContact C-N 3.34Å; M201-I203 PolarHBondContact O-N 2.98Å; I203-Y207 WeakPolarHBondContact O-CB 3.48Å; I203-Y207 PolarHBondContact O-N 3.02Å
204E94.8Very high91.7Very high40 Ų4041.9 Ų41.919%0.18722%0.218CC..Hα-helixtrans-63.7-45.6172.3-177.5152.4-175.900112.2R116 R120 S200 M201 Y207 R208R116-E204 IonicContact CZ-OE2 3.52Å; R116-E204 IonicContact NH1-OE2 3.51Å; R116-E204 PolarHBondContact NH1-OE2 2.77Å; R116-E204 VanDerWaalsContact NH1-OE2 3.09Å; R116-E204 IonicContact NH2-OE1 3.67Å; R116-E204 IonicContact NH2-OE2 3.57Å; R120-E204 IonicContact CZ-OE2 3.96Å; R120-E204 IonicContact NH1-OE2 3.68Å; R120-E204 VanDerWaalsContact NH2-CG 3.31Å; R120-E204 IonicContact NH2-OE1 2.73Å; R120-E204 IonicContact NH2-OE2 3.09Å; R120-E204 PolarHBondContact NH2-OE2 2.85Å; S200-E204 PolarHBondContact O-N 3.28Å; M201-E204 WeakPolarHBondContact O-CB 3.33Å; M201-E204 PolarHBondContact O-N 2.9Å; M201-E204 VanDerWaalsContact O-N 3.16Å; E204-Y207 PolarHBondContact O-N 3.49Å; E204-R208 HydrophobicContact CG-CG 4.43Å; E204-R208 WeakPolarHBondContact O-CB 3.35Å; E204-R208 VanDerWaalsContact O-CG 3.26Å; E204-R208 WeakPolarHBondContact O-CG 3.18Å; E204-R208 PolarHBondContact O-N 3.18Å; E204-R208 IonicContact OE1-CZ 3.3Å; E204-R208 IonicContact OE1-NE 3.21Å; E204-R208 PolarHBondContact OE1-NE 3.32Å; E204-R208 IonicContact OE1-NH2 3.15Å; E204-R208 PolarHBondContact OE1-NH2 2.95Å
205E94.4Very high92.4Very high113 Ų11341.5 Ų41.553%0.52822%0.216SC..Hα-helixtrans-61.7-52.9179.4-173.9179.5169.500111.3M201 A202 Y207 R208 E209M201-E205 PolarHBondContact O-N 3.1Å; A202-E205 PolarHBondContact O-N 2.95Å; E205-Y207 VanDerWaalsContact C-N 3.33Å; E205-Y207 PolarHBondContact O-N 3.32Å; E205-R208 PolarHBondContact O-N 3.34Å; E205-R208 VanDerWaalsContact O-N 3.16Å; E205-E209 WeakPolarHBondContact O-CB 3.1Å; E205-E209 PolarHBondContact O-N 3Å
206V96.3Very high92.9Very high2 Ų238.8 Ų38.81%0.01220%0.2CC..Hα-helixtrans-65.2-35.8-179.61750000111.7L124 L145 K148 I149 A152 A202 E209 I210L124-V206 HydrophobicContact CD1-CG1 4.3Å; L124-V206 HydrophobicContact CD2-CG1 4.03Å; L145-V206 HydrophobicContact CD1-CG1 3.87Å; K148-V206 HydrophobicContact CB-CG1 4.14Å; K148-V206 HydrophobicContact CB-CG2 4.18Å; I149-V206 HydrophobicContact CG1-CB 4.31Å; I149-V206 HydrophobicContact CG1-CG1 4.24Å; I149-V206 HydrophobicContact CG1-CG2 4.13Å; A152-V206 HydrophobicContact CB-CG2 4.22Å; A202-V206 WeakPolarHBondContact O-CB 3.12Å; A202-V206 WeakPolarHBondContact O-CG2 3.36Å; A202-V206 PolarHBondContact O-N 3.46Å; V206-E209 PolarHBondContact O-N 2.9Å; V206-I210 HydrophobicContact CG1-CD1 3.65Å; V206-I210 HydrophobicContact CG1-CG1 4.29Å; V206-I210 WeakPolarHBondContact O-CB 3.3Å; V206-I210 WeakPolarHBondContact O-CG1 3.27Å; V206-I210 PolarHBondContact O-N 3.49Å
207Y96.1Very high93.4Very high15 Ų1536.2 Ų36.26%0.05919%0.19CC..Hα-helixtrans-62-46.7171.6173-104000111.9E88 R120 C123 L124 I203 E204 E205 E209 V211 G212E88-Y207 WeakPolarHBondContact CG-OH 3.38Å; E88-Y207 PolarHBondContact OE1-OH 2.89Å; E88-Y207 VanDerWaalsContact OE1-OH 3.09Å; R120-Y207 HydrophobicContact CB-CD2 3.96Å; R120-Y207 HydrophobicContact CB-CG 4.06Å; R120-Y207 HydrophobicContact CG-CD1 4.01Å; R120-Y207 HydrophobicContact CG-CD2 3.96Å; R120-Y207 HydrophobicContact CG-CE1 4.42Å; R120-Y207 HydrophobicContact CG-CE2 4.38Å; R120-Y207 HydrophobicContact CG-CG 3.76Å; C123-Y207 HydrophobicContact CB-CD2 4.12Å; C123-Y207 HydrophobicContact CB-CE2 3.57Å; L124-Y207 HydrophobicContact CG-CD2 4.48Å; I203-Y207 WeakPolarHBondContact O-CB 3.48Å; I203-Y207 PolarHBondContact O-N 3.02Å; E204-Y207 PolarHBondContact O-N 3.49Å; E205-Y207 VanDerWaalsContact C-N 3.33Å; E205-Y207 PolarHBondContact O-N 3.32Å; Y207-E209 VanDerWaalsContact C-N 3.35Å; Y207-E209 PolarHBondContact O-N 2.91Å; Y207-V211 HydrophobicContact CD2-CB 3.91Å; Y207-V211 HydrophobicContact CD2-CG1 4.45Å; Y207-V211 HydrophobicContact CD2-CG2 3.92Å; Y207-V211 HydrophobicContact CE2-CB 3.87Å; Y207-V211 HydrophobicContact CE2-CG1 3.92Å; Y207-V211 HydrophobicContact CE2-CG2 4.17Å; Y207-V211 WeakPolarHBondContact O-CA 3.29Å; Y207-V211 WeakPolarHBondContact O-CB 3.42Å; Y207-V211 PolarHBondContact O-N 3.09Å; Y207-G212 PolarHBondContact O-N 3.18Å
208R93.5Very high93.7Very high62 Ų6233.7 Ų33.723%0.23417%0.174CC..Hα-helixtrans-65.1-37.3177.5-74179.2-178.9-68.6-5112.3E204 E205 G212 D213 V214 E217E204-R208 HydrophobicContact CG-CG 4.43Å; E204-R208 WeakPolarHBondContact O-CB 3.35Å; E204-R208 VanDerWaalsContact O-CG 3.26Å; E204-R208 WeakPolarHBondContact O-CG 3.18Å; E204-R208 PolarHBondContact O-N 3.18Å; E204-R208 IonicContact OE1-CZ 3.3Å; E204-R208 IonicContact OE1-NE 3.21Å; E204-R208 PolarHBondContact OE1-NE 3.32Å; E204-R208 IonicContact OE1-NH2 3.15Å; E204-R208 PolarHBondContact OE1-NH2 2.95Å; E205-R208 PolarHBondContact O-N 3.34Å; E205-R208 VanDerWaalsContact O-N 3.16Å; R208-G212 CarbonylContact O-C 3.59Å; R208-G212 WeakPolarHBondContact O-CA 3.49Å; R208-G212 PolarHBondContact O-N 3.13Å; R208-D213 PolarHBondContact O-N 3.48Å; R208-V214 HydrophobicContact CB-CB 4.4Å; R208-V214 HydrophobicContact CB-CG2 4.34Å; R208-V214 WeakPolarHBondContact O-CB 3.25Å; R208-V214 PolarHBondContact O-N 2.94Å; R208-E217 VanDerWaalsContact CD-OE1 3.31Å; R208-E217 WeakPolarHBondContact CD-OE1 3.49Å; R208-E217 IonicContact NE-OE1 3.71Å
209E94.4Very high94Very high43 Ų4335.1 Ų35.120%0.20118%0.176CC..Hα-helixtrans-68.5-51.3178.1-161.4-155.2156.500111.9K148 E205 V206 Y207 V214 H319K148-E209 WeakPolarHBondContact CE-OE2 3.4Å; K148-E209 IonicContact NZ-OE1 2.75Å; K148-E209 PolarHBondContact NZ-OE1 3.43Å; K148-E209 IonicContact NZ-OE2 2.74Å; K148-E209 PolarHBondContact NZ-OE2 2.87Å; E205-E209 WeakPolarHBondContact O-CB 3.1Å; E205-E209 PolarHBondContact O-N 3Å; V206-E209 PolarHBondContact O-N 2.9Å; Y207-E209 VanDerWaalsContact C-N 3.35Å; Y207-E209 PolarHBondContact O-N 2.91Å; E209-V214 WeakPolarHBondContact CA-O 3.47Å; E209-H319 VanDerWaalsContact CD-NE2 3.29Å; E209-H319 WeakPolarHBondContact CG-NE2 3.02Å; E209-H319 PolarHBondContact O-CD2 3.47Å; E209-H319 VanDerWaalsContact O-CD2 3.24Å; E209-H319 IonicContact OE1-CE1 2.7Å; E209-H319 PolarHBondContact OE1-CE1 3.43Å; E209-H319 IonicContact OE1-NE2 3.79Å; E209-H319 PolarHBondContact OE1-NE2 2.94Å
210I94.1Very high94.3Very high0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-87.9-50-169.2-61.5-179.1000112.5L124 F127 Y144 V206 H319L124-I210 HydrophobicContact CD2-CB 3.77Å; L124-I210 HydrophobicContact CD2-CD1 4.02Å; L124-I210 HydrophobicContact CD2-CG1 4.36Å; L124-I210 HydrophobicContact CD2-CG2 3.99Å; F127-I210 HydrophobicContact CD1-CG2 3.45Å; F127-I210 VanDerWaalsContact CD1-CG2 3.45Å; F127-I210 HydrophobicContact CD2-CG2 4.34Å; F127-I210 HydrophobicContact CE1-CG2 3.56Å; F127-I210 HydrophobicContact CE2-CG2 4.41Å; F127-I210 WeakPolarHBondContact CE2-O 3.48Å; F127-I210 HydrophobicContact CG-CG2 3.89Å; F127-I210 HydrophobicContact CZ-CG2 4.04Å; Y144-I210 HydrophobicContact CE1-CD1 4.02Å; V206-I210 HydrophobicContact CG1-CD1 3.65Å; V206-I210 HydrophobicContact CG1-CG1 4.29Å; V206-I210 WeakPolarHBondContact O-CB 3.3Å; V206-I210 WeakPolarHBondContact O-CG1 3.27Å; V206-I210 PolarHBondContact O-N 3.49Å; I210-H319 HydrophobicContact CG2-CB 4.18Å
211V92.2Very high94.5Very high25 Ų2537 Ų3715%0.15218%0.177CC..THydrogen-bonded Turntrans-90.9-37.7-177.2-172.50000110.6C123 L124 F127 Y207 D213C123-V211 HydrophobicContact CB-CG1 4.38Å; C123-V211 HydrophobicContact CB-CG2 4.36Å; L124-V211 HydrophobicContact CD2-CG2 3.87Å; L124-V211 HydrophobicContact CG-CG2 4.02Å; F127-V211 HydrophobicContact CB-CG2 4.2Å; Y207-V211 HydrophobicContact CD2-CB 3.91Å; Y207-V211 HydrophobicContact CD2-CG1 4.45Å; Y207-V211 HydrophobicContact CD2-CG2 3.92Å; Y207-V211 HydrophobicContact CE2-CB 3.87Å; Y207-V211 HydrophobicContact CE2-CG1 3.92Å; Y207-V211 HydrophobicContact CE2-CG2 4.17Å; Y207-V211 WeakPolarHBondContact O-CA 3.29Å; Y207-V211 WeakPolarHBondContact O-CB 3.42Å; Y207-V211 PolarHBondContact O-N 3.09Å; V211-D213 VanDerWaalsContact C-N 3.34Å
212G90.8Very high94.6Very high20 Ų2032.4 Ų32.421%0.20615%0.154CC..SBendtrans-81.1-4.5-179.400000115.3Y207 R208 V214 R238Y207-G212 PolarHBondContact O-N 3.18Å; R208-G212 CarbonylContact O-C 3.59Å; R208-G212 WeakPolarHBondContact O-CA 3.49Å; R208-G212 PolarHBondContact O-N 3.13Å; G212-V214 PolarHBondContact O-N 3.39Å; G212-R238 VanDerWaalsContact O-CZ 3.32Å; G212-R238 PolarHBondContact O-NH1 2.93Å; G212-R238 PolarHBondContact O-NH2 3.03Å
213D91.9Very high94.5Very high25 Ų2533.4 Ų33.413%0.13416%0.158CC..  trans49.436.7-177.1-81.6-49.2000114.2R208 V211 P239 S317R208-D213 PolarHBondContact O-N 3.48Å; V211-D213 VanDerWaalsContact C-N 3.34Å; D213-P239 WeakPolarHBondContact O-CD 3.47Å; D213-S317 WeakPolarHBondContact OD1-CB 3.48Å; D213-S317 PolarHBondContact OD1-OG 3.21Å; D213-S317 WeakPolarHBondContact OD2-CB 3.27Å
214V94.2Very high94.2Very high8 Ų834.9 Ų34.95%0.04817%0.172CC..  trans-90.3110.9173179.60000109.6R208 E209 G212 E217 T236 L237R208-V214 HydrophobicContact CB-CB 4.4Å; R208-V214 HydrophobicContact CB-CG2 4.34Å; R208-V214 WeakPolarHBondContact O-CB 3.25Å; R208-V214 PolarHBondContact O-N 2.94Å; E209-V214 WeakPolarHBondContact CA-O 3.47Å; G212-V214 PolarHBondContact O-N 3.39Å; V214-E217 HydrophobicContact CG1-CB 4.2Å; V214-E217 HydrophobicContact CG1-CG 4.1Å; V214-T236 HydrophobicContact CB-CG2 4.49Å; V214-T236 HydrophobicContact CG1-CG2 3.77Å; V214-T236 HydrophobicContact CG2-CG2 3.9Å; V214-L237 CarbonylContact C-O 3.53Å; V214-L237 WeakPolarHBondContact CA-O 3.29Å
215L95Very high93.4Very high29 Ų2937.6 Ų37.615%0.15219%0.185CC..SBendtrans-78.8-28.6-177.3-61.9175.8000113.2L237 P239 A307 L310 L318L215-L237 HydrophobicContact CB-CB 4.5Å; L215-L237 HydrophobicContact CB-CD2 3.89Å; L215-L237 HydrophobicContact CB-CG 4.03Å; L215-L237 HydrophobicContact CD1-CD2 4.39Å; L215-L237 HydrophobicContact CD1-CG 4.35Å; L215-L237 PolarHBondContact N-O 3.41Å; L215-P239 HydrophobicContact CD1-CG 4.04Å; L215-P239 HydrophobicContact CG-CG 4.29Å; L215-A307 HydrophobicContact CD1-CB 3.67Å; L215-L310 HydrophobicContact CD1-CD1 4.27Å; L215-L310 HydrophobicContact CD2-CD1 4.42Å; L215-L318 HydrophobicContact CD2-CB 3.72Å; L215-L318 HydrophobicContact CD2-CD2 3.89Å; L215-L318 HydrophobicContact CD2-CG 4.46Å
216K94.9Very high92.6Very high32 Ų3240.2 Ų40.214%0.13920%0.202CC..EExtended strand (participates in β ladder)trans-167.1145169.3-172.5163.2169.668.40109.7L237 Q296 E299 W300 A303K216-L237 WeakPolarHBondContact O-CB 3.49Å; K216-L237 PolarHBondContact O-N 3.39Å; K216-Q296 VanDerWaalsContact CE-OE1 3.26Å; K216-E299 HydrophobicContact CD-CB 4.02Å; K216-E299 IonicContact NZ-OE2 2.66Å; K216-E299 PolarHBondContact NZ-OE2 3.33Å; K216-W300 HydrophobicContact CB-CE3 4.29Å; K216-W300 HydrophobicContact CB-CH2 4.43Å; K216-W300 HydrophobicContact CB-CZ3 4.11Å; K216-W300 HydrophobicContact CD-CD2 3.75Å; K216-W300 HydrophobicContact CD-CE3 4.03Å; K216-W300 HydrophobicContact CD-CG 4.02Å; K216-W300 VanDerWaalsContact CE-CD1 3.43Å; K216-W300 HydrophobicContact CG-CD2 4.17Å; K216-W300 HydrophobicContact CG-CE3 4.15Å; K216-W300 HydrophobicContact CG-CH2 4.13Å; K216-W300 HydrophobicContact CG-CZ2 4.14Å; K216-W300 HydrophobicContact CG-CZ3 4.13Å; K216-A303 HydrophobicContact CB-CB 4.02Å; K216-A303 HydrophobicContact CD-CB 4.42Å
217E95.2Very high91.8Very high48 Ų4850.5 Ų50.522%0.22424%0.24CC..EExtended strand (participates in β ladder)trans-132.8169.7162.356.4-179.7175.900112.5R208 V214 W234 F235 T236 R250R208-E217 VanDerWaalsContact CD-OE1 3.31Å; R208-E217 WeakPolarHBondContact CD-OE1 3.49Å; R208-E217 IonicContact NE-OE1 3.71Å; V214-E217 HydrophobicContact CG1-CB 4.2Å; V214-E217 HydrophobicContact CG1-CG 4.1Å; E217-W234 HydrophobicContact CB-CZ2 3.84Å; E217-W234 HydrophobicContact CG-CZ2 3.66Å; E217-W234 PolarHBondContact OE2-NE1 3.31Å; E217-F235 WeakPolarHBondContact CA-O 3.47Å; E217-F235 WeakPolarHBondContact CB-O 3.17Å; E217-T236 HydrophobicContact CB-CG2 4.45Å; E217-T236 PolarHBondContact OE2-OG1 3.3Å; E217-T236 VanDerWaalsContact OE2-OG1 3.07Å; E217-R250 IonicContact OE1-CZ 2.72Å; E217-R250 IonicContact OE1-NH1 2.68Å; E217-R250 PolarHBondContact OE1-NH1 2.94Å; E217-R250 IonicContact OE2-CZ 2.7Å; E217-R250 IonicContact OE2-NH1 3.99Å; E217-R250 PolarHBondContact OE2-NH1 2.89Å
218G95.4Very high91.2Very high13 Ų1358.7 Ų58.713%0.13427%0.271CS..EExtended strand (participates in β ladder)trans147173-176.100000113.8W234 F235G218-W234 VanDerWaalsContact C-CE3 3.48Å; G218-F235 PolarHBondContact N-O 2.94Å; G218-F235 VanDerWaalsContact N-O 3.16Å; G218-F235 PolarHBondContact O-N 3.49Å
219Y96.4Very high91Very high102 Ų10261.1 Ų61.140%0.429%0.289SS..EExtended strand (participates in β ladder)trans-77.7139.7175.1-69.3-79000112.5E232 R233 W234 E248Y219-E232 HydrophobicContact CD1-CG 4Å; Y219-E232 HydrophobicContact CG-CG 4.45Å; Y219-R233 WeakPolarHBondContact CA-O 3.5Å; Y219-W234 HydrophobicContact CD1-CB 4.42Å; Y219-W234 HydrophobicContact CD1-CE3 4.1Å; Y219-W234 AromaticContact CD2-CE3 3.55Å; Y219-W234 HydrophobicContact CD2-CE3 3.55Å; Y219-W234 AromaticContact CD2-CZ3 3.63Å; Y219-W234 HydrophobicContact CD2-CZ3 3.63Å; Y219-W234 HydrophobicContact CE1-CB 4.21Å; Y219-W234 HydrophobicContact CE1-CE3 4Å; Y219-W234 AromaticContact CE2-CE3 3.41Å; Y219-W234 HydrophobicContact CE2-CE3 3.41Å; Y219-W234 VanDerWaalsContact CE2-CE3 3.41Å; Y219-W234 AromaticContact CE2-CZ3 3.49Å; Y219-W234 HydrophobicContact CE2-CZ3 3.49Å; Y219-W234 VanDerWaalsContact CE2-CZ3 3.49Å; Y219-W234 AromaticContact CG-CE3 3.88Å; Y219-W234 HydrophobicContact CG-CE3 3.88Å; Y219-W234 HydrophobicContact CG-CZ3 4.37Å; Y219-W234 AromaticContact CZ-CE3 3.65Å; Y219-E248 HydrophobicContact CE2-CB 4.45Å; Y219-E248 VanDerWaalsContact OH-CB 3.25Å; Y219-E248 WeakPolarHBondContact OH-CB 3.24Å; Y219-E248 PolarHBondContact OH-N 2.97Å; Y219-E248 PolarHBondContact OH-OE2 2.74Å
220L96.9Very high91Very high2 Ų261 Ų611%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-138.2148.3168.8-73.2173.2000110.6K222 R233 F235 F278 M289 A291 W300L220-K222 PolarHBondContact O-N 2.87Å; L220-R233 PolarHBondContact N-O 2.99Å; L220-R233 PolarHBondContact O-N 3.15Å; L220-F235 HydrophobicContact CB-CD2 3.64Å; L220-F235 HydrophobicContact CB-CE2 3.66Å; L220-F235 HydrophobicContact CB-CG 4.48Å; L220-F235 HydrophobicContact CD1-CB 4.4Å; L220-F235 HydrophobicContact CD1-CD1 4.44Å; L220-F235 HydrophobicContact CD1-CD2 4.03Å; L220-F235 HydrophobicContact CD1-CE2 4.34Å; L220-F235 HydrophobicContact CD1-CG 4.06Å; L220-F235 HydrophobicContact CG-CD2 4.23Å; L220-F278 HydrophobicContact CD1-CE1 4.38Å; L220-F278 HydrophobicContact CD1-CZ 3.81Å; L220-F278 HydrophobicContact CD2-CE1 4.07Å; L220-F278 HydrophobicContact CD2-CZ 4.32Å; L220-M289 HydrophobicContact CD1-SD 4.13Å; L220-A291 HydrophobicContact CD2-CB 3.86Å; L220-W300 HydrophobicContact CD1-CD2 3.81Å; L220-W300 HydrophobicContact CD1-CE3 4.2Å; L220-W300 HydrophobicContact CD1-CG 4.17Å; L220-W300 HydrophobicContact CD1-CH2 4.46Å; L220-W300 HydrophobicContact CD1-CZ2 4.09Å; L220-W300 HydrophobicContact CD2-CG 4.23Å; L220-W300 HydrophobicContact CG-CD2 4.35Å; L220-W300 HydrophobicContact CG-CZ2 4.17Å
221W95.7Very high90.9Very high80 Ų8067 Ų6730%0.30331%0.313SS..EExtended strand (participates in β ladder)trans-82.9112.6168.7-73.278.5000109.4W230 E232 M289 S290W221-W230 HydrophobicContact CB-CE3 4.18Å; W221-W230 HydrophobicContact CE3-CB 4.04Å; W221-W230 WeakPolarHBondContact O-CZ3 3.48Å; W221-E232 HydrophobicContact CD2-CB 4.11Å; W221-E232 HydrophobicContact CE3-CB 4.37Å; W221-E232 HydrophobicContact CH2-CB 4.2Å; W221-E232 HydrophobicContact CZ2-CB 3.9Å; W221-E232 HydrophobicContact CZ2-CG 4.37Å; W221-E232 HydrophobicContact CZ3-CB 4.43Å; W221-E232 PolarHBondContact NE1-OE1 3.38Å; W221-M289 CarbonylContact O-C 3.46Å; W221-M289 VanDerWaalsContact O-CA 3.3Å; W221-M289 WeakPolarHBondContact O-CA 3.28Å; W221-S290 PolarHBondContact N-O 3.47Å; W221-S290 PolarHBondContact O-N 2.89Å
222K94.8Very high91.1Very high19 Ų1970 Ų708%0.08333%0.325CS..EExtended strand (participates in β ladder)trans-101.9135.3179.4-167.8-165.9177.3-64.50111L220 W230 K231 F235 Y244L220-K222 PolarHBondContact O-N 2.87Å; K222-W230 WeakPolarHBondContact O-CA 3.26Å; K222-K231 PolarHBondContact N-O 2.61Å; K222-K231 PolarHBondContact O-N 3.06Å; K222-F235 HydrophobicContact CB-CE2 4.11Å; K222-F235 HydrophobicContact CB-CZ 3.88Å; K222-F235 HydrophobicContact CD-CZ 3.93Å; K222-F235 HydrophobicContact CG-CZ 3.93Å; K222-Y244 HydrophobicContact CD-CD1 4.35Å; K222-Y244 HydrophobicContact CD-CD2 4.23Å; K222-Y244 HydrophobicContact CD-CE1 4.14Å; K222-Y244 HydrophobicContact CD-CE2 4.04Å; K222-Y244 HydrophobicContact CD-CG 4.41Å
223K93.4Very high91.3Very high24 Ų2470.6 Ų70.610%0.10432%0.321CS..EExtended strand (participates in β ladder)trans-79.4139.8170.1-151.5171.7-179.6169.70111.5R228 W230 D272 E288K223-R228 VanDerWaalsContact CG-O 3.25Å; K223-R228 WeakPolarHBondContact CG-O 3.36Å; K223-W230 HydrophobicContact CB-CD2 4.17Å; K223-W230 HydrophobicContact CB-CE3 3.96Å; K223-W230 HydrophobicContact CB-CH2 4.12Å; K223-W230 HydrophobicContact CB-CZ2 4.32Å; K223-W230 HydrophobicContact CB-CZ3 3.93Å; K223-W230 HydrophobicContact CD-CH2 4.2Å; K223-W230 HydrophobicContact CD-CZ2 3.79Å; K223-W230 HydrophobicContact CG-CD2 4.2Å; K223-W230 HydrophobicContact CG-CE3 4.49Å; K223-W230 HydrophobicContact CG-CH2 4.5Å; K223-W230 HydrophobicContact CG-CZ2 4.21Å; K223-D272 WeakPolarHBondContact CE-OD2 3.45Å; K223-D272 IonicContact NZ-OD2 2.8Å; K223-D272 PolarHBondContact NZ-OD2 3.4Å; K223-E288 HydrophobicContact CB-CB 3.87Å; K223-E288 HydrophobicContact CD-CB 3.91Å; K223-E288 HydrophobicContact CD-CG 4.31Å; K223-E288 WeakPolarHBondContact CD-OE2 3.42Å; K223-E288 PolarHBondContact N-O 3.3Å; K223-E288 IonicContact NZ-OE1 2.7Å; K223-E288 IonicContact NZ-OE2 3.86Å; K223-E288 PolarHBondContact NZ-OE2 3.3Å
224G88.6Confident91.6Very high30 Ų3070.4 Ų70.431%0.30932%0.318SS..PPolyproline II helixtrans-86.9132.917600000112.6R228 N229G224-R228 WeakPolarHBondContact O-CA 3.46Å; G224-R228 PolarHBondContact O-N 3.22Å; G224-N229 PolarHBondContact N-O 2.92Å
225Q78.3Confident91.7Very high98 Ų9870 Ų7046%0.45832%0.316SS..THydrogen-bonded Turntrans-64.4-48.2-169.2-140.671.35.500114.2T286Q225-T286 PolarHBondContact NE2-O 2.95Å
226L77.6Confident91.8Very high167 Ų16768.8 Ų68.887%0.87431%0.31SS*.THydrogen-bonded Turntrans-78.8-55.2-179.2-8667.1000111.9
227R78Confident91.9Very high218 Ų21867.3 Ų67.382%0.82330%0.303SS*.THydrogen-bonded Turntrans-88.1-3.7-171-62.5-169.1-176.6-165.21.8114.5N229R227-N229 PolarHBondContact O-N 3.37Å; R227-N229 PolarHBondContact O-OD1 2.94Å; R227-N229 VanDerWaalsContact O-OD1 3.06Å
228R84.1Confident91.8Very high187 Ų18769.3 Ų69.371%0.70631%0.309SS*.  trans56-7.9-179.1-65.2-175.5176-176-0.9117.7K223 G224K223-R228 VanDerWaalsContact CG-O 3.25Å; K223-R228 WeakPolarHBondContact CG-O 3.36Å; G224-R228 WeakPolarHBondContact O-CA 3.46Å; G224-R228 PolarHBondContact O-N 3.22Å
229N89.4Confident91.6Very high113 Ų11369 Ų6960%0.60430%0.304SS*.  trans-54.4143.3171.4-6614000112G224 R227G224-N229 PolarHBondContact N-O 2.92Å; R227-N229 PolarHBondContact O-N 3.37Å; R227-N229 PolarHBondContact O-OD1 2.94Å; R227-N229 VanDerWaalsContact O-OD1 3.06Å
230W93.5Very high91.3Very high41 Ų4167.1 Ų67.116%0.15531%0.306CS..EExtended strand (participates in β ladder)trans-85.1140.2169.1-6493.8000110.7W221 K222 K223 K274 M277 E288W221-W230 HydrophobicContact CB-CE3 4.18Å; W221-W230 HydrophobicContact CE3-CB 4.04Å; W221-W230 WeakPolarHBondContact O-CZ3 3.48Å; K222-W230 WeakPolarHBondContact O-CA 3.26Å; K223-W230 HydrophobicContact CB-CD2 4.17Å; K223-W230 HydrophobicContact CB-CE3 3.96Å; K223-W230 HydrophobicContact CB-CH2 4.12Å; K223-W230 HydrophobicContact CB-CZ2 4.32Å; K223-W230 HydrophobicContact CB-CZ3 3.93Å; K223-W230 HydrophobicContact CD-CH2 4.2Å; K223-W230 HydrophobicContact CD-CZ2 3.79Å; K223-W230 HydrophobicContact CG-CD2 4.2Å; K223-W230 HydrophobicContact CG-CE3 4.49Å; K223-W230 HydrophobicContact CG-CH2 4.5Å; K223-W230 HydrophobicContact CG-CZ2 4.21Å; W230-K274 HydrophobicContact CD2-CG 3.85Å; W230-K274 HydrophobicContact CE3-CG 4.36Å; W230-K274 HydrophobicContact CG-CG 4.11Å; W230-K274 HydrophobicContact CZ2-CB 4.18Å; W230-K274 HydrophobicContact CZ2-CG 4.08Å; W230-M277 HydrophobicContact CH2-SD 3.52Å; W230-M277 VanDerWaalsContact CH2-SD 3.52Å; W230-M277 HydrophobicContact CZ2-SD 3.68Å; W230-E288 HydrophobicContact CH2-CB 4.16Å
231K93.8Very high91.2Very high126 Ų12668.6 Ų68.655%0.54832%0.315SS..EExtended strand (participates in β ladder)trans-134.3140.6168.1-72.7-166.7173.7-167.60110.2K222K222-K231 PolarHBondContact N-O 2.61Å; K222-K231 PolarHBondContact O-N 3.06Å
232E95.3Very high91.2Very high89 Ų8964.8 Ų64.842%0.41630%0.3SS..EExtended strand (participates in β ladder)trans-72137.9166.5-162.8152.7-122.600110.1Y219 W221Y219-E232 HydrophobicContact CD1-CG 4Å; Y219-E232 HydrophobicContact CG-CG 4.45Å; W221-E232 HydrophobicContact CD2-CB 4.11Å; W221-E232 HydrophobicContact CE3-CB 4.37Å; W221-E232 HydrophobicContact CH2-CB 4.2Å; W221-E232 HydrophobicContact CZ2-CB 3.9Å; W221-E232 HydrophobicContact CZ2-CG 4.37Å; W221-E232 HydrophobicContact CZ3-CB 4.43Å; W221-E232 PolarHBondContact NE1-OE1 3.38Å
233R96.1Very high91.2Very high31 Ų3164.4 Ų64.412%0.11730%0.299CS..EExtended strand (participates in β ladder)trans-146.9145.7-179.4-72.3-68.6174.2-124.232.2108.6Y219 L220 F235 Y244 Y245 T246Y219-R233 WeakPolarHBondContact CA-O 3.5Å; L220-R233 PolarHBondContact N-O 2.99Å; L220-R233 PolarHBondContact O-N 3.15Å; R233-F235 HydrophobicContact CB-CD2 4.21Å; R233-F235 HydrophobicContact CB-CE2 3.83Å; R233-F235 WeakPolarHBondContact O-CD2 3.29Å; R233-Y244 HydrophobicContact CB-CD2 4.41Å; R233-Y244 HydrophobicContact CG-CD2 4.13Å; R233-Y245 WeakPolarHBondContact CA-O 3.41Å; R233-Y245 WeakPolarHBondContact CB-O 3.3Å; R233-Y245 WeakPolarHBondContact CD-O 3.42Å; R233-T246 VanDerWaalsContact CZ-OG1 3.29Å; R233-T246 PolarHBondContact NH2-OG1 2.92Å
234W96.7Very high91.4Very high21 Ų2165 Ų658%0.0830%0.301CS..EExtended strand (participates in β ladder)trans-75.6136.5165.6-174.1-99.2000108.6E217 G218 Y219 T236 Y244 Y245 E248E217-W234 HydrophobicContact CB-CZ2 3.84Å; E217-W234 HydrophobicContact CG-CZ2 3.66Å; E217-W234 PolarHBondContact OE2-NE1 3.31Å; G218-W234 VanDerWaalsContact C-CE3 3.48Å; Y219-W234 HydrophobicContact CD1-CB 4.42Å; Y219-W234 HydrophobicContact CD1-CE3 4.1Å; Y219-W234 AromaticContact CD2-CE3 3.55Å; Y219-W234 HydrophobicContact CD2-CE3 3.55Å; Y219-W234 AromaticContact CD2-CZ3 3.63Å; Y219-W234 HydrophobicContact CD2-CZ3 3.63Å; Y219-W234 HydrophobicContact CE1-CB 4.21Å; Y219-W234 HydrophobicContact CE1-CE3 4Å; Y219-W234 AromaticContact CE2-CE3 3.41Å; Y219-W234 HydrophobicContact CE2-CE3 3.41Å; Y219-W234 VanDerWaalsContact CE2-CE3 3.41Å; Y219-W234 AromaticContact CE2-CZ3 3.49Å; Y219-W234 HydrophobicContact CE2-CZ3 3.49Å; Y219-W234 VanDerWaalsContact CE2-CZ3 3.49Å; Y219-W234 AromaticContact CG-CE3 3.88Å; Y219-W234 HydrophobicContact CG-CE3 3.88Å; Y219-W234 HydrophobicContact CG-CZ3 4.37Å; Y219-W234 AromaticContact CZ-CE3 3.65Å; W234-T236 PolarHBondContact NE1-OG1 2.93Å; W234-Y244 CarbonylContact O-C 3.56Å; W234-Y244 WeakPolarHBondContact O-CA 3.31Å; W234-Y244 WeakPolarHBondContact O-CB 3.28Å; W234-Y245 PolarHBondContact N-O 2.93Å; W234-Y245 PolarHBondContact O-N 3.39Å; W234-E248 HydrophobicContact CD2-CB 3.82Å; W234-E248 HydrophobicContact CD2-CG 4.1Å; W234-E248 HydrophobicContact CE3-CB 3.7Å; W234-E248 HydrophobicContact CE3-CG 4Å; W234-E248 HydrophobicContact CG-CB 4.31Å; W234-E248 HydrophobicContact CH2-CB 4.32Å; W234-E248 HydrophobicContact CH2-CG 3.67Å; W234-E248 HydrophobicContact CZ2-CB 4.46Å; W234-E248 HydrophobicContact CZ2-CG 3.82Å; W234-E248 HydrophobicContact CZ3-CB 3.95Å; W234-E248 HydrophobicContact CZ3-CG 3.77Å
235F97.3Very high91.7Very high0 Ų065.3 Ų65.30%029%0.293CS..EExtended strand (participates in β ladder)trans-117.3144.2175.2-80-106.9000109.9E217 G218 L220 K222 R233 L242 S243 Y244 M289 W300E217-F235 WeakPolarHBondContact CA-O 3.47Å; E217-F235 WeakPolarHBondContact CB-O 3.17Å; G218-F235 PolarHBondContact N-O 2.94Å; G218-F235 VanDerWaalsContact N-O 3.16Å; G218-F235 PolarHBondContact O-N 3.49Å; L220-F235 HydrophobicContact CB-CD2 3.64Å; L220-F235 HydrophobicContact CB-CE2 3.66Å; L220-F235 HydrophobicContact CB-CG 4.48Å; L220-F235 HydrophobicContact CD1-CB 4.4Å; L220-F235 HydrophobicContact CD1-CD1 4.44Å; L220-F235 HydrophobicContact CD1-CD2 4.03Å; L220-F235 HydrophobicContact CD1-CE2 4.34Å; L220-F235 HydrophobicContact CD1-CG 4.06Å; L220-F235 HydrophobicContact CG-CD2 4.23Å; K222-F235 HydrophobicContact CB-CE2 4.11Å; K222-F235 HydrophobicContact CB-CZ 3.88Å; K222-F235 HydrophobicContact CD-CZ 3.93Å; K222-F235 HydrophobicContact CG-CZ 3.93Å; R233-F235 HydrophobicContact CB-CD2 4.21Å; R233-F235 HydrophobicContact CB-CE2 3.83Å; R233-F235 WeakPolarHBondContact O-CD2 3.29Å; F235-L242 HydrophobicContact CB-CD1 4.23Å; F235-L242 HydrophobicContact CD1-CD1 3.75Å; F235-L242 HydrophobicContact CD1-CD2 4.11Å; F235-L242 HydrophobicContact CD1-CG 3.82Å; F235-L242 HydrophobicContact CE1-CD2 4.32Å; F235-L242 HydrophobicContact CE1-CG 4.33Å; F235-L242 HydrophobicContact CG-CD1 4.49Å; F235-S243 WeakPolarHBondContact CA-O 3.44Å; F235-Y244 HydrophobicContact CE1-CD1 4.01Å; F235-Y244 HydrophobicContact CE1-CG 4.08Å; F235-Y244 HydrophobicContact CZ-CD1 4.37Å; F235-Y244 HydrophobicContact CZ-CG 4.16Å; F235-M289 HydrophobicContact CD1-SD 4.47Å; F235-M289 HydrophobicContact CE1-SD 3.69Å; F235-M289 HydrophobicContact CZ-CG 4.33Å; F235-M289 HydrophobicContact CZ-SD 3.85Å; F235-W300 HydrophobicContact CB-CH2 3.53Å; F235-W300 HydrophobicContact CB-CZ2 4.12Å; F235-W300 HydrophobicContact CB-CZ3 4.16Å
236T96.4Very high92.5Very high4 Ų463.5 Ų63.53%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-130114.6171.7-56.40000108.1V214 E217 W234 S243V214-T236 HydrophobicContact CB-CG2 4.49Å; V214-T236 HydrophobicContact CG1-CG2 3.77Å; V214-T236 HydrophobicContact CG2-CG2 3.9Å; E217-T236 HydrophobicContact CB-CG2 4.45Å; E217-T236 PolarHBondContact OE2-OG1 3.3Å; E217-T236 VanDerWaalsContact OE2-OG1 3.07Å; W234-T236 PolarHBondContact NE1-OG1 2.93Å; T236-S243 PolarHBondContact N-O 3.25Å; T236-S243 PolarHBondContact O-N 3.5Å
237L96.6Very high93.2Very high0 Ų056.3 Ų56.30%026%0.255CS..EExtended strand (participates in β ladder)trans-91.6130.9177.5179.566.9000110.6V214 L215 K216 L242 L259 W300 A303 I304 A307V214-L237 CarbonylContact C-O 3.53Å; V214-L237 WeakPolarHBondContact CA-O 3.29Å; L215-L237 HydrophobicContact CB-CB 4.5Å; L215-L237 HydrophobicContact CB-CD2 3.89Å; L215-L237 HydrophobicContact CB-CG 4.03Å; L215-L237 HydrophobicContact CD1-CD2 4.39Å; L215-L237 HydrophobicContact CD1-CG 4.35Å; L215-L237 PolarHBondContact N-O 3.41Å; K216-L237 WeakPolarHBondContact O-CB 3.49Å; K216-L237 PolarHBondContact O-N 3.39Å; L237-L242 HydrophobicContact CB-CD1 3.88Å; L237-L242 HydrophobicContact CD1-CB 4.05Å; L237-L242 HydrophobicContact CD1-CD1 4.01Å; L237-L259 HydrophobicContact CD1-CD1 3.53Å; L237-W300 HydrophobicContact CB-CZ3 4.13Å; L237-A303 VanDerWaalsContact CD2-C 3.42Å; L237-A303 HydrophobicContact CD2-CB 3.6Å; L237-I304 HydrophobicContact CD1-CG1 4.17Å; L237-I304 HydrophobicContact CD2-CG1 3.96Å; L237-A307 HydrophobicContact CD1-CB 4.02Å; L237-A307 HydrophobicContact CD2-CB 4.45Å; L237-A307 HydrophobicContact CG-CB 4.43Å
238R94Very high93.8Very high90 Ų9050.5 Ų50.534%0.3424%0.237SC..EExtended strand (participates in β ladder)trans-125.6159.4172.8-65.8173.9164.4-73.3-9.2108.5G212 S240 N241G212-R238 VanDerWaalsContact O-CZ 3.32Å; G212-R238 PolarHBondContact O-NH1 2.93Å; G212-R238 PolarHBondContact O-NH2 3.03Å; R238-S240 PolarHBondContact O-N 3.4Å; R238-S240 VanDerWaalsContact O-N 3.12Å; R238-N241 CarbonylContact C-O 3.48Å; R238-N241 PolarHBondContact N-O 3.17Å; R238-N241 PolarHBondContact O-N 2.92Å
239P91.6Very high94Very high6 Ų645.9 Ų45.94%0.03923%0.227CC..THydrogen-bonded Turntrans-50.5-40.4-178-31.237000114.5D213 L215 L310 T316D213-P239 WeakPolarHBondContact O-CD 3.47Å; L215-P239 HydrophobicContact CD1-CG 4.04Å; L215-P239 HydrophobicContact CG-CG 4.29Å; P239-L310 HydrophobicContact CB-CD1 4.38Å; P239-L310 HydrophobicContact CG-CD1 4.38Å; P239-T316 WeakPolarHBondContact CG-O 3.29Å
240S90.1Very high93.9Very high63 Ų6343.3 Ų43.344%0.44121%0.209SC..THydrogen-bonded Turntrans-97.9-8.4-177.5-38.70000115.1R238 L259R238-S240 PolarHBondContact O-N 3.4Å; R238-S240 VanDerWaalsContact O-N 3.12Å; S240-L259 PolarHBondContact O-N 2.8Å
241N93.6Very high93.5Very high34 Ų3449.5 Ų49.518%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-161.3156.8-177.472.371.2000115.3R238 S243 N256 I257R238-N241 CarbonylContact C-O 3.48Å; R238-N241 PolarHBondContact N-O 3.17Å; R238-N241 PolarHBondContact O-N 2.92Å; N241-S243 PolarHBondContact OD1-OG 3.44Å; N241-N256 VanDerWaalsContact CB-OD1 3.27Å; N241-N256 WeakPolarHBondContact CB-OD1 3.38Å; N241-N256 PolarHBondContact OD1-OD1 3.31Å; N241-I257 CarbonylContact C-O 3.56Å; N241-I257 VanDerWaalsContact CA-O 3.28Å; N241-I257 WeakPolarHBondContact CA-O 3.43Å
242L95.9Very high93.3Very high0 Ų046.9 Ų46.90%023%0.228CC..EExtended strand (participates in β ladder)trans-118.199.9172.4178.360.1000109.1F235 L237 I257 L259 L280 M289 W300 I304F235-L242 HydrophobicContact CB-CD1 4.23Å; F235-L242 HydrophobicContact CD1-CD1 3.75Å; F235-L242 HydrophobicContact CD1-CD2 4.11Å; F235-L242 HydrophobicContact CD1-CG 3.82Å; F235-L242 HydrophobicContact CE1-CD2 4.32Å; F235-L242 HydrophobicContact CE1-CG 4.33Å; F235-L242 HydrophobicContact CG-CD1 4.49Å; L237-L242 HydrophobicContact CB-CD1 3.88Å; L237-L242 HydrophobicContact CD1-CB 4.05Å; L237-L242 HydrophobicContact CD1-CD1 4.01Å; L242-I257 HydrophobicContact CB-CB 4.33Å; L242-I257 HydrophobicContact CD2-CD1 4.43Å; L242-I257 PolarHBondContact N-O 2.74Å; L242-I257 WeakPolarHBondContact O-CB 3.35Å; L242-I257 PolarHBondContact O-N 2.85Å; L242-L259 HydrophobicContact CB-CD1 4.46Å; L242-L280 HydrophobicContact CD2-CD2 3.96Å; L242-M289 HydrophobicContact CD2-CE 4.48Å; L242-M289 HydrophobicContact CD2-SD 4.46Å; L242-W300 HydrophobicContact CD1-CZ3 4.19Å; L242-I304 HydrophobicContact CD2-CD1 4.14Å
243S96Very high93.2Very high10 Ų1045.9 Ų45.97%0.0723%0.231CC..EExtended strand (participates in β ladder)trans-90.2148.2178-68.60000111.2F235 T236 N241 N256F235-S243 WeakPolarHBondContact CA-O 3.44Å; T236-S243 PolarHBondContact N-O 3.25Å; T236-S243 PolarHBondContact O-N 3.5Å; N241-S243 PolarHBondContact OD1-OG 3.44Å; S243-N256 PolarHBondContact OG-OD1 3.01Å; S243-N256 VanDerWaalsContact OG-OD1 3.08Å
244Y95.7Very high93.1Very high37 Ų3748.2 Ų48.215%0.14524%0.243CC..EExtended strand (participates in β ladder)trans-136.9147.3175.565.9-92.6000113.5K222 R233 W234 F235 Q254 G255 I257K222-Y244 HydrophobicContact CD-CD1 4.35Å; K222-Y244 HydrophobicContact CD-CD2 4.23Å; K222-Y244 HydrophobicContact CD-CE1 4.14Å; K222-Y244 HydrophobicContact CD-CE2 4.04Å; K222-Y244 HydrophobicContact CD-CG 4.41Å; R233-Y244 HydrophobicContact CB-CD2 4.41Å; R233-Y244 HydrophobicContact CG-CD2 4.13Å; W234-Y244 CarbonylContact O-C 3.56Å; W234-Y244 WeakPolarHBondContact O-CA 3.31Å; W234-Y244 WeakPolarHBondContact O-CB 3.28Å; F235-Y244 HydrophobicContact CE1-CD1 4.01Å; F235-Y244 HydrophobicContact CE1-CG 4.08Å; F235-Y244 HydrophobicContact CZ-CD1 4.37Å; F235-Y244 HydrophobicContact CZ-CG 4.16Å; Y244-Q254 HydrophobicContact CD2-CB 3.7Å; Y244-Q254 HydrophobicContact CE2-CB 3.56Å; Y244-Q254 WeakPolarHBondContact CE2-O 3.27Å; Y244-Q254 VanDerWaalsContact CZ-O 3.24Å; Y244-Q254 PolarHBondContact O-N 2.96Å; Y244-Q254 PolarHBondContact OH-O 2.71Å; Y244-G255 WeakPolarHBondContact CD1-O 3.43Å; Y244-G255 PolarHBondContact N-O 2.95Å; Y244-G255 PolarHBondContact O-N 2.85Å; Y244-I257 HydrophobicContact CD1-CD1 4.47Å; Y244-I257 HydrophobicContact CE1-CD1 4.42Å; Y244-I257 HydrophobicContact CE1-CG1 4.33Å
245Y96.3Very high92.8Very high36 Ų3648.1 Ų48.114%0.14125%0.249CC..EExtended strand (participates in β ladder)trans-134.1158.5-165.2-53.7-96000111.2R233 W234 G247 R250 D252 C253R233-Y245 WeakPolarHBondContact CA-O 3.41Å; R233-Y245 WeakPolarHBondContact CB-O 3.3Å; R233-Y245 WeakPolarHBondContact CD-O 3.42Å; W234-Y245 PolarHBondContact N-O 2.93Å; W234-Y245 PolarHBondContact O-N 3.39Å; Y245-G247 WeakPolarHBondContact CB-O 3.37Å; Y245-G247 PolarHBondContact O-N 3.42Å; Y245-R250 HydrophobicContact CD1-CB 3.97Å; Y245-R250 HydrophobicContact CD1-CG 4.29Å; Y245-R250 VanDerWaalsContact CD1-O 3.25Å; Y245-R250 WeakPolarHBondContact CD1-O 3.36Å; Y245-R250 HydrophobicContact CD2-CB 4.47Å; Y245-R250 HydrophobicContact CD2-CG 3.89Å; Y245-R250 HydrophobicContact CE1-CB 3.99Å; Y245-R250 HydrophobicContact CE1-CG 4.36Å; Y245-R250 VanDerWaalsContact CE1-O 3.28Å; Y245-R250 WeakPolarHBondContact CE1-O 3.27Å; Y245-R250 HydrophobicContact CE2-CB 4.49Å; Y245-R250 HydrophobicContact CE2-CG 3.98Å; Y245-R250 HydrophobicContact CG-CB 4.22Å; Y245-R250 HydrophobicContact CG-CG 4.06Å; Y245-D252 CarbonylContact C-O 3.39Å; Y245-D252 WeakPolarHBondContact CA-O 3.34Å; Y245-D252 WeakPolarHBondContact CB-O 3.37Å; Y245-C253 HydrophobicContact CD1-CB 3.86Å; Y245-C253 HydrophobicContact CE1-CB 3.77Å
246T94Very high92.7Very high61 Ų6152.2 Ų52.237%0.37427%0.271SS..SBendtrans-63.2-31176.1-77.30000112.8R233 D252 Q254R233-T246 VanDerWaalsContact CZ-OG1 3.29Å; R233-T246 PolarHBondContact NH2-OG1 2.92Å; T246-D252 WeakPolarHBondContact CB-OD2 3.45Å; T246-D252 PolarHBondContact N-O 3.43Å; T246-D252 PolarHBondContact OG1-OD2 3.35Å; T246-Q254 VanDerWaalsContact OG1-CG 3.29Å; T246-Q254 WeakPolarHBondContact OG1-CG 3.49Å
247G92.6Very high92.5Very high15 Ų1552.1 Ų52.116%0.15527%0.27CS..SBendtrans-156.5177.4173.700000112.8Y245 D249 R250Y245-G247 WeakPolarHBondContact CB-O 3.37Å; Y245-G247 PolarHBondContact O-N 3.42Å; G247-D249 PolarHBondContact O-N 2.85Å; G247-R250 PolarHBondContact O-N 3.15Å; G247-R250 VanDerWaalsContact O-N 3.13Å
248E91.3Very high92.4Very high96 Ų9657 Ų5745%0.44930%0.3SS..THydrogen-bonded Turntrans-63.9-16.6-176.9177.9171.1-174.800115.1Y219 W234 R250Y219-E248 HydrophobicContact CE2-CB 4.45Å; Y219-E248 VanDerWaalsContact OH-CB 3.25Å; Y219-E248 WeakPolarHBondContact OH-CB 3.24Å; Y219-E248 PolarHBondContact OH-N 2.97Å; Y219-E248 PolarHBondContact OH-OE2 2.74Å; W234-E248 HydrophobicContact CD2-CB 3.82Å; W234-E248 HydrophobicContact CD2-CG 4.1Å; W234-E248 HydrophobicContact CE3-CB 3.7Å; W234-E248 HydrophobicContact CE3-CG 4Å; W234-E248 HydrophobicContact CG-CB 4.31Å; W234-E248 HydrophobicContact CH2-CB 4.32Å; W234-E248 HydrophobicContact CH2-CG 3.67Å; W234-E248 HydrophobicContact CZ2-CB 4.46Å; W234-E248 HydrophobicContact CZ2-CG 3.82Å; W234-E248 HydrophobicContact CZ3-CB 3.95Å; W234-E248 HydrophobicContact CZ3-CG 3.77Å; E248-R250 PolarHBondContact O-N 3.33Å; E248-R250 PolarHBondContact O-NE 2.9Å; E248-R250 PolarHBondContact O-NH2 2.75Å
249D87.7Confident92.3Very high90 Ų9052.8 Ų52.848%0.48128%0.284SS..THydrogen-bonded Turntrans-67-13.3172.290-23000113.3G247 K251G247-D249 PolarHBondContact O-N 2.85Å; D249-K251 HydrophobicContact CB-CG 4.42Å; D249-K251 PolarHBondContact O-N 2.97Å; D249-K251 PolarHBondContact OD1-N 3.47Å; D249-K251 VanDerWaalsContact OD1-N 3.08Å; D249-K251 VanDerWaalsContact OD2-CD 3.28Å; D249-K251 WeakPolarHBondContact OD2-CD 3.42Å; D249-K251 WeakPolarHBondContact OD2-CE 3.5Å; D249-K251 VanDerWaalsContact OD2-CG 3.29Å; D249-K251 WeakPolarHBondContact OD2-CG 3.35Å; D249-K251 IonicContact OD2-NZ 3.79Å; D249-K251 PolarHBondContact OD2-NZ 3.35Å
250R87.6Confident92.2Very high60 Ų6054.2 Ų54.223%0.22629%0.291CS..  trans57.416.4175.9-70.7155.8-77.5-161.8-2.4114.8E217 Y245 G247 E248E217-R250 IonicContact OE1-CZ 2.72Å; E217-R250 IonicContact OE1-NH1 2.68Å; E217-R250 PolarHBondContact OE1-NH1 2.94Å; E217-R250 IonicContact OE2-CZ 2.7Å; E217-R250 IonicContact OE2-NH1 3.99Å; E217-R250 PolarHBondContact OE2-NH1 2.89Å; Y245-R250 HydrophobicContact CD1-CB 3.97Å; Y245-R250 HydrophobicContact CD1-CG 4.29Å; Y245-R250 VanDerWaalsContact CD1-O 3.25Å; Y245-R250 WeakPolarHBondContact CD1-O 3.36Å; Y245-R250 HydrophobicContact CD2-CB 4.47Å; Y245-R250 HydrophobicContact CD2-CG 3.89Å; Y245-R250 HydrophobicContact CE1-CB 3.99Å; Y245-R250 HydrophobicContact CE1-CG 4.36Å; Y245-R250 VanDerWaalsContact CE1-O 3.28Å; Y245-R250 WeakPolarHBondContact CE1-O 3.27Å; Y245-R250 HydrophobicContact CE2-CB 4.49Å; Y245-R250 HydrophobicContact CE2-CG 3.98Å; Y245-R250 HydrophobicContact CG-CB 4.22Å; Y245-R250 HydrophobicContact CG-CG 4.06Å; G247-R250 PolarHBondContact O-N 3.15Å; G247-R250 VanDerWaalsContact O-N 3.13Å; E248-R250 PolarHBondContact O-N 3.33Å; E248-R250 PolarHBondContact O-NE 2.9Å; E248-R250 PolarHBondContact O-NH2 2.75Å
251K84.7Confident92Very high171 Ų17153 Ų5374%0.74329%0.289SS*.  trans-77.8-42.2-178.9-62.5-169.5-162106.60113.2D249D249-K251 HydrophobicContact CB-CG 4.42Å; D249-K251 PolarHBondContact O-N 2.97Å; D249-K251 PolarHBondContact OD1-N 3.47Å; D249-K251 VanDerWaalsContact OD1-N 3.08Å; D249-K251 VanDerWaalsContact OD2-CD 3.28Å; D249-K251 WeakPolarHBondContact OD2-CD 3.42Å; D249-K251 WeakPolarHBondContact OD2-CE 3.5Å; D249-K251 VanDerWaalsContact OD2-CG 3.29Å; D249-K251 WeakPolarHBondContact OD2-CG 3.35Å; D249-K251 IonicContact OD2-NZ 3.79Å; D249-K251 PolarHBondContact OD2-NZ 3.35Å
252D90.4Very high91.8Very high70 Ų7056.2 Ų56.237%0.37431%0.306SS..SBendtrans-9693.5178.417220.1000110.2Y245 T246 Q254Y245-D252 CarbonylContact C-O 3.39Å; Y245-D252 WeakPolarHBondContact CA-O 3.34Å; Y245-D252 WeakPolarHBondContact CB-O 3.37Å; T246-D252 WeakPolarHBondContact CB-OD2 3.45Å; T246-D252 PolarHBondContact N-O 3.43Å; T246-D252 PolarHBondContact OG1-OD2 3.35Å; D252-Q254 VanDerWaalsContact CG-NE2 3.32Å; D252-Q254 PolarHBondContact O-N 3.08Å; D252-Q254 PolarHBondContact OD1-NE2 2.87Å; D252-Q254 PolarHBondContact OD2-NE2 3.3Å; D252-Q254 VanDerWaalsContact OD2-NE2 3.09Å
253C93.2Very high91.7Very high69 Ų6956.6 Ų56.647%0.46631%0.308SS..EExtended strand (participates in β ladder)trans-77.5115.2174.9-168.90000110.7Y245Y245-C253 HydrophobicContact CD1-CB 3.86Å; Y245-C253 HydrophobicContact CE1-CB 3.77Å
254Q92.9Very high91.6Very high79 Ų7958.5 Ų58.537%0.36932%0.321SS..EExtended strand (participates in β ladder)trans-98-2.5-172.6-69.6-81.5-68.500112.9Y244 T246 D252Y244-Q254 HydrophobicContact CD2-CB 3.7Å; Y244-Q254 HydrophobicContact CE2-CB 3.56Å; Y244-Q254 WeakPolarHBondContact CE2-O 3.27Å; Y244-Q254 VanDerWaalsContact CZ-O 3.24Å; Y244-Q254 PolarHBondContact O-N 2.96Å; Y244-Q254 PolarHBondContact OH-O 2.71Å; T246-Q254 VanDerWaalsContact OG1-CG 3.29Å; T246-Q254 WeakPolarHBondContact OG1-CG 3.49Å; D252-Q254 VanDerWaalsContact CG-NE2 3.32Å; D252-Q254 PolarHBondContact O-N 3.08Å; D252-Q254 PolarHBondContact OD1-NE2 2.87Å; D252-Q254 PolarHBondContact OD2-NE2 3.3Å; D252-Q254 VanDerWaalsContact OD2-NE2 3.09Å
255G91.9Very high91.7Very high20 Ų2057.4 Ų57.421%0.20632%0.319CS..EExtended strand (participates in β ladder)trans155.7159.3170.700000112.8Y244Y244-G255 WeakPolarHBondContact CD1-O 3.43Å; Y244-G255 PolarHBondContact N-O 2.95Å; Y244-G255 PolarHBondContact O-N 2.85Å
256N93.5Very high91.6Very high85 Ų8559.4 Ų59.446%0.45533%0.329SS..EExtended strand (participates in β ladder)trans-125.1136.4177.6-169.77.2000109.6N241 S243N241-N256 VanDerWaalsContact CB-OD1 3.27Å; N241-N256 WeakPolarHBondContact CB-OD1 3.38Å; N241-N256 PolarHBondContact OD1-OD1 3.31Å; S243-N256 PolarHBondContact OG-OD1 3.01Å; S243-N256 VanDerWaalsContact OG-OD1 3.08Å
257I93.8Very high91.7Very high3 Ų360.5 Ų60.52%0.01534%0.335CS..EExtended strand (participates in β ladder)trans-113.8106.5177-50.1170.4000107.1N241 L242 Y244 L280 T282 Y287N241-I257 CarbonylContact C-O 3.56Å; N241-I257 VanDerWaalsContact CA-O 3.28Å; N241-I257 WeakPolarHBondContact CA-O 3.43Å; L242-I257 HydrophobicContact CB-CB 4.33Å; L242-I257 HydrophobicContact CD2-CD1 4.43Å; L242-I257 PolarHBondContact N-O 2.74Å; L242-I257 WeakPolarHBondContact O-CB 3.35Å; L242-I257 PolarHBondContact O-N 2.85Å; Y244-I257 HydrophobicContact CD1-CD1 4.47Å; Y244-I257 HydrophobicContact CE1-CD1 4.42Å; Y244-I257 HydrophobicContact CE1-CG1 4.33Å; I257-L280 HydrophobicContact CD1-CD2 4.39Å; I257-L280 HydrophobicContact CG2-CD2 3.83Å; I257-T282 HydrophobicContact CG2-CG2 3.89Å; I257-Y287 HydrophobicContact CD1-CD1 3.46Å; I257-Y287 VanDerWaalsContact CD1-CD1 3.46Å; I257-Y287 HydrophobicContact CD1-CD2 4.15Å; I257-Y287 HydrophobicContact CD1-CE1 3.65Å; I257-Y287 HydrophobicContact CD1-CE2 4.32Å; I257-Y287 HydrophobicContact CD1-CG 3.73Å; I257-Y287 HydrophobicContact CG1-CD1 4.08Å; I257-Y287 HydrophobicContact CG1-CE1 3.71Å; I257-Y287 HydrophobicContact CG1-CE2 4.31Å; I257-Y287 HydrophobicContact CG2-CD2 4.22Å; I257-Y287 HydrophobicContact CG2-CE2 3.82Å
258V93.1Very high91.8Very high103 Ų10360.9 Ų60.962%0.62433%0.334SS*.EExtended strand (participates in β ladder)trans-63.6136.6173.5-178.80000109.1
259L92.1Very high91.9Very high0 Ų060.8 Ų60.80%034%0.341CS..  trans-104.9125.3174.4-62.2175.5000108.7L237 S240 L242 C263 L280 A307 H311L237-L259 HydrophobicContact CD1-CD1 3.53Å; S240-L259 PolarHBondContact O-N 2.8Å; L242-L259 HydrophobicContact CB-CD1 4.46Å; L259-C263 HydrophobicContact CD2-CB 4.44Å; L259-L280 HydrophobicContact CD2-CD1 4.02Å; L259-L280 HydrophobicContact CD2-CD2 3.7Å; L259-L280 HydrophobicContact CD2-CG 4.48Å; L259-A307 HydrophobicContact CD1-CB 3.64Å; L259-H311 PolarHBondContact O-ND1 2.85Å; L259-H311 VanDerWaalsContact O-ND1 3.15Å
260D88.8Confident92.1Very high36 Ų3660 Ų6019%0.19334%0.337CS..  trans-126.9176.7176.873.9-8000110.8N262 C263D260-N262 PolarHBondContact O-N 3.07Å; D260-N262 VanDerWaalsContact O-N 3.13Å; D260-N262 WeakPolarHBondContact OD1-CA 3.44Å; D260-N262 WeakPolarHBondContact OD1-CB 3.49Å; D260-N262 PolarHBondContact OD1-N 3.08Å; D260-N262 PolarHBondContact OD2-ND2 3.43Å; D260-C263 WeakPolarHBondContact O-CB 3.45Å; D260-C263 PolarHBondContact O-N 3.36Å; D260-C263 PolarHBondContact OD1-N 3.2Å; D260-C263 PolarHBondContact OD1-SG 3.46Å
261G86.9Confident92.2Very high39 Ų3961.6 Ų61.640%0.40234%0.343SS..THydrogen-bonded Turntrans-66.2-6.8176.100000115.3H311G261-H311 PolarHBondContact N-CD2 2.91Å; G261-H311 VanDerWaalsContact N-CD2 3.34Å
262N89.4Confident92.2Very high101 Ų10158 Ų5854%0.5433%0.332SS..THydrogen-bonded Turntrans-97.7-10.7177.3-52-71.9000112.3D260 L283D260-N262 PolarHBondContact O-N 3.07Å; D260-N262 VanDerWaalsContact O-N 3.13Å; D260-N262 WeakPolarHBondContact OD1-CA 3.44Å; D260-N262 WeakPolarHBondContact OD1-CB 3.49Å; D260-N262 PolarHBondContact OD1-N 3.08Å; D260-N262 PolarHBondContact OD2-ND2 3.43Å; N262-L283 HydrophobicContact CB-CD1 4.17Å; N262-L283 HydrophobicContact CB-CD2 3.63Å; N262-L283 HydrophobicContact CB-CG 3.65Å
263C94.2Very high92Very high7 Ų758.6 Ų58.65%0.04736%0.355CS..  trans-69.8138.3176-72.80000110.6L259 D260 L280 K281 I308L259-C263 HydrophobicContact CD2-CB 4.44Å; D260-C263 WeakPolarHBondContact O-CB 3.45Å; D260-C263 PolarHBondContact O-N 3.36Å; D260-C263 PolarHBondContact OD1-N 3.2Å; D260-C263 PolarHBondContact OD1-SG 3.46Å; C263-L280 HydrophobicContact CB-CD1 4.07Å; C263-K281 VanDerWaalsContact CA-O 3.26Å; C263-K281 WeakPolarHBondContact CA-O 3.19Å; C263-I308 HydrophobicContact CB-CD1 4.04Å; C263-I308 HydrophobicContact CB-CG1 4.05Å; C263-I308 WeakPolarHBondContact O-CD1 3.46Å
264C94.1Very high91.9Very high50 Ų5057.4 Ų57.434%0.33834%0.342SS..EExtended strand (participates in β ladder)trans-133.9152.3169.473.80000110.9K281C264-K281 PolarHBondContact N-O 2.94Å; C264-K281 PolarHBondContact O-N 3.09Å
265V96.4Very high91.9Very high15 Ų1561.8 Ų61.89%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-122.3127.2178.168.70000110.3F278 C279 T301 I304 Q305V265-F278 HydrophobicContact CG2-CD2 3.73Å; V265-F278 HydrophobicContact CG2-CE2 4.35Å; V265-C279 VanDerWaalsContact CA-O 3.31Å; V265-C279 WeakPolarHBondContact CA-O 3.41Å; V265-C279 WeakPolarHBondContact CG2-O 3.42Å; V265-T301 HydrophobicContact CG2-CG2 3.98Å; V265-I304 HydrophobicContact CB-CG2 3.83Å; V265-I304 HydrophobicContact CG1-CB 4.24Å; V265-I304 HydrophobicContact CG1-CG2 3.89Å; V265-I304 HydrophobicContact CG2-CD1 4.37Å; V265-I304 HydrophobicContact CG2-CG2 4.2Å; V265-Q305 HydrophobicContact CG1-CG 3.52Å
266E95.8Very high92.1Very high78 Ų7861.3 Ų61.336%0.36435%0.348SS..EExtended strand (participates in β ladder)trans-126.4137.7-173.2-74.3170.3-14900110.6F278 C279 K281E266-F278 CarbonylContact O-C 3.52Å; E266-F278 WeakPolarHBondContact O-CA 3.44Å; E266-F278 WeakPolarHBondContact O-CB 3.43Å; E266-C279 PolarHBondContact N-O 3.24Å; E266-C279 PolarHBondContact O-N 3.08Å; E266-K281 WeakPolarHBondContact OE1-CE 3.42Å; E266-K281 IonicContact OE1-NZ 2.71Å; E266-K281 PolarHBondContact OE1-NZ 3.35Å; E266-K281 VanDerWaalsContact OE2-CE 3.24Å; E266-K281 WeakPolarHBondContact OE2-CE 3.44Å; E266-K281 IonicContact OE2-NZ 3.75Å; E266-K281 PolarHBondContact OE2-NZ 3.32Å
267V96.1Very high92.2Very high83 Ų8357.3 Ų57.350%0.50333%0.327SS..EExtended strand (participates in β ladder)trans-71.3135.1170.7174.90000109.1R297V267-R297 VanDerWaalsContact CG1-NH1 3.3Å
268L94.3Very high92.4Very high24 Ų2457.1 Ų57.113%0.12633%0.326CS..  trans-109.3149.9177.5-68.3-177.8000111M277 C279 E288L268-M277 HydrophobicContact CB-CB 3.88Å; L268-M277 HydrophobicContact CB-CE 4.22Å; L268-M277 HydrophobicContact CD1-CE 4.43Å; L268-M277 PolarHBondContact N-O 2.94Å; L268-C279 HydrophobicContact CD1-CB 3.78Å; L268-C279 HydrophobicContact CG-CB 4.28Å; L268-E288 HydrophobicContact CD1-CG 4.29Å
269P92.9Very high92.5Very high93 Ų9352.4 Ų52.460%0.60430%0.298SS*.  trans-67.2149.7168.530.1-34.9000111R271 M277P269-R271 PolarHBondContact O-N 3.12Å; P269-M277 VanDerWaalsContact O-CE 3.25Å; P269-M277 WeakPolarHBondContact O-CE 3.27Å
270D92.4Very high92.7Very high73 Ų7352.4 Ų52.439%0.3930%0.298SS..  trans-58126.8176-68.1-1.2000110.3K274 R275 C276D270-K274 WeakPolarHBondContact CA-O 3.46Å; D270-R275 HydrophobicContact CB-CG 4.41Å; D270-R275 VanDerWaalsContact CG-CA 3.47Å; D270-R275 VanDerWaalsContact OD1-CA 3.25Å; D270-R275 WeakPolarHBondContact OD1-CA 3.3Å; D270-R275 WeakPolarHBondContact OD2-CB 3.25Å; D270-R275 WeakPolarHBondContact OD2-CG 3.44Å; D270-R275 IonicContact OD2-CZ 3.6Å; D270-R275 IonicContact OD2-NE 2.74Å; D270-R275 PolarHBondContact OD2-NE 3.17Å; D270-R275 IonicContact OD2-NH2 2.84Å; D270-C276 PolarHBondContact OD1-N 2.77Å
271R89.3Confident93Very high95 Ų9554 Ų5436%0.35830%0.303SS..BIsolated β-bridgetrans-159172.3179.585.8-148176.9174.5-2.7111P269 G273 K274 M277 E288P269-R271 PolarHBondContact O-N 3.12Å; R271-G273 PolarHBondContact O-N 2.89Å; R271-G273 VanDerWaalsContact O-N 3.1Å; R271-K274 PolarHBondContact N-O 2.84Å; R271-K274 VanDerWaalsContact N-O 3.09Å; R271-K274 PolarHBondContact O-N 3.37Å; R271-M277 HydrophobicContact CB-CE 4.35Å; R271-M277 HydrophobicContact CG-CE 3.53Å; R271-E288 IonicContact CZ-OE2 3.41Å; R271-E288 IonicContact NE-OE2 2.66Å; R271-E288 IonicContact NH2-OE1 3.82Å; R271-E288 PolarHBondContact NH2-OE1 3.04Å; R271-E288 IonicContact NH2-OE2 3.23Å; R271-E288 PolarHBondContact NH2-OE2 3.19Å
272D84.9Confident93.3Very high96 Ų9653.4 Ų53.451%0.51329%0.291SS..THydrogen-bonded Turntrans53.827.3-178.9-51.7-30.2000114.1K223 K274K223-D272 WeakPolarHBondContact CE-OD2 3.45Å; K223-D272 IonicContact NZ-OD2 2.8Å; K223-D272 PolarHBondContact NZ-OD2 3.4Å; D272-K274 PolarHBondContact O-N 3.46Å
273G85.9Confident93.3Very high82 Ų8255 Ų5585%0.84530%0.299SS*.THydrogen-bonded Turntrans70.48.6-172.700000114.9R271R271-G273 PolarHBondContact O-N 2.89Å; R271-G273 VanDerWaalsContact O-N 3.1Å
274K91.2Very high92.9Very high43 Ų4359.2 Ų59.219%0.18733%0.329CS..BIsolated β-bridgetrans-107.8144.8177.2-71-60.3-171.71780111.7W230 D270 R271 D272 M277W230-K274 HydrophobicContact CD2-CG 3.85Å; W230-K274 HydrophobicContact CE3-CG 4.36Å; W230-K274 HydrophobicContact CG-CG 4.11Å; W230-K274 HydrophobicContact CZ2-CB 4.18Å; W230-K274 HydrophobicContact CZ2-CG 4.08Å; D270-K274 WeakPolarHBondContact CA-O 3.46Å; R271-K274 PolarHBondContact N-O 2.84Å; R271-K274 VanDerWaalsContact N-O 3.09Å; R271-K274 PolarHBondContact O-N 3.37Å; D272-K274 PolarHBondContact O-N 3.46Å; K274-M277 HydrophobicContact CB-CG 4.23Å; K274-M277 HydrophobicContact CB-SD 3.68Å
275R93.1Very high92.8Very high171 Ų17162 Ų6265%0.64534%0.335SS*.  trans-117.1171.5-178.4-57.8-16667.4-160.2-2.4111.4D270 M277 S290D270-R275 HydrophobicContact CB-CG 4.41Å; D270-R275 VanDerWaalsContact CG-CA 3.47Å; D270-R275 VanDerWaalsContact OD1-CA 3.25Å; D270-R275 WeakPolarHBondContact OD1-CA 3.3Å; D270-R275 WeakPolarHBondContact OD2-CB 3.25Å; D270-R275 WeakPolarHBondContact OD2-CG 3.44Å; D270-R275 IonicContact OD2-CZ 3.6Å; D270-R275 IonicContact OD2-NE 2.74Å; D270-R275 PolarHBondContact OD2-NE 3.17Å; D270-R275 IonicContact OD2-NH2 2.84Å; R275-M277 PolarHBondContact O-N 3.38Å; R275-S290 PolarHBondContact O-OG 2.94Å
276C95.4Very high92.6Very high11 Ų1163.9 Ų63.97%0.07435%0.347CS..SBendtrans56.240.6171.4-55.10000111.2D270 A291 D293 R297D270-C276 PolarHBondContact OD1-N 2.77Å; C276-A291 HydrophobicContact CB-CB 4.49Å; C276-A291 PolarHBondContact O-N 2.67Å; C276-D293 VanDerWaalsContact SG-CA 3.55Å; C276-R297 HydrophobicContact CB-CB 4.44Å; C276-R297 WeakPolarHBondContact O-CD 3.35Å
277M96.4Very high92.6Very high0 Ų061.6 Ų61.60%034%0.335CS..EExtended strand (participates in β ladder)trans-86.5155.3-168.8-60.5-142.3-53.200113.9W230 L268 P269 R271 K274 R275 M289 R297W230-M277 HydrophobicContact CH2-SD 3.52Å; W230-M277 VanDerWaalsContact CH2-SD 3.52Å; W230-M277 HydrophobicContact CZ2-SD 3.68Å; L268-M277 HydrophobicContact CB-CB 3.88Å; L268-M277 HydrophobicContact CB-CE 4.22Å; L268-M277 HydrophobicContact CD1-CE 4.43Å; L268-M277 PolarHBondContact N-O 2.94Å; P269-M277 VanDerWaalsContact O-CE 3.25Å; P269-M277 WeakPolarHBondContact O-CE 3.27Å; R271-M277 HydrophobicContact CB-CE 4.35Å; R271-M277 HydrophobicContact CG-CE 3.53Å; K274-M277 HydrophobicContact CB-CG 4.23Å; K274-M277 HydrophobicContact CB-SD 3.68Å; R275-M277 PolarHBondContact O-N 3.38Å; M277-M289 WeakPolarHBondContact CA-O 3.12Å; M277-R297 VanDerWaalsContact O-CD 3.28Å; M277-R297 WeakPolarHBondContact O-CD 3.19Å
278F97.3Very high92.5Very high0 Ų059.5 Ų59.50%032%0.32CS..EExtended strand (participates in β ladder)trans-151.8169.7170.266.4-79.7000110L220 V265 E266 M289 R297 W300 T301 I304L220-F278 HydrophobicContact CD1-CE1 4.38Å; L220-F278 HydrophobicContact CD1-CZ 3.81Å; L220-F278 HydrophobicContact CD2-CE1 4.07Å; L220-F278 HydrophobicContact CD2-CZ 4.32Å; V265-F278 HydrophobicContact CG2-CD2 3.73Å; V265-F278 HydrophobicContact CG2-CE2 4.35Å; E266-F278 CarbonylContact O-C 3.52Å; E266-F278 WeakPolarHBondContact O-CA 3.44Å; E266-F278 WeakPolarHBondContact O-CB 3.43Å; F278-M289 HydrophobicContact CD1-CB 4.21Å; F278-M289 HydrophobicContact CD2-CB 4.37Å; F278-M289 HydrophobicContact CD2-CE 4.18Å; F278-M289 HydrophobicContact CE1-CB 3.79Å; F278-M289 HydrophobicContact CE2-CB 3.97Å; F278-M289 HydrophobicContact CE2-CE 3.57Å; F278-M289 HydrophobicContact CE2-SD 4.05Å; F278-M289 HydrophobicContact CG-CB 4.5Å; F278-M289 HydrophobicContact CZ-CB 3.66Å; F278-M289 HydrophobicContact CZ-CE 4.22Å; F278-M289 HydrophobicContact CZ-CG 4.47Å; F278-M289 HydrophobicContact CZ-SD 4.09Å; F278-M289 PolarHBondContact N-O 2.97Å; F278-M289 PolarHBondContact O-N 3.11Å; F278-R297 HydrophobicContact CB-CG 4.47Å; F278-R297 HydrophobicContact CD1-CG 4.06Å; F278-W300 HydrophobicContact CE1-CB 4.28Å; F278-W300 HydrophobicContact CZ-CB 3.95Å; F278-W300 HydrophobicContact CZ-CG 4.44Å; F278-T301 HydrophobicContact CB-CG2 3.78Å; F278-T301 HydrophobicContact CD1-CG2 4.42Å; F278-T301 HydrophobicContact CD2-CG2 3.9Å; F278-T301 HydrophobicContact CG-CG2 3.8Å; F278-I304 HydrophobicContact CE2-CD1 3.77Å; F278-I304 HydrophobicContact CZ-CD1 4.49Å
279C95.7Very high92.6Very high4 Ų458.3 Ų58.33%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-137.2145.6167.366.70000112V265 E266 L268 T286 Y287 E288V265-C279 VanDerWaalsContact CA-O 3.31Å; V265-C279 WeakPolarHBondContact CA-O 3.41Å; V265-C279 WeakPolarHBondContact CG2-O 3.42Å; E266-C279 PolarHBondContact N-O 3.24Å; E266-C279 PolarHBondContact O-N 3.08Å; L268-C279 HydrophobicContact CD1-CB 3.78Å; L268-C279 HydrophobicContact CG-CB 4.28Å; C279-T286 HydrophobicContact CB-CG2 3.76Å; C279-Y287 WeakPolarHBondContact CA-O 3.43Å; C279-Y287 WeakPolarHBondContact CB-O 3.41Å; C279-E288 HydrophobicContact CB-CG 4.35Å
280L96.4Very high92.8Very high0 Ų054.1 Ų54.10%029%0.286CS..EExtended strand (participates in β ladder)trans-97.4115.2166.4170.361.1000107.4L242 I257 L259 C263 T282 Y287 M289 I304L242-L280 HydrophobicContact CD2-CD2 3.96Å; I257-L280 HydrophobicContact CD1-CD2 4.39Å; I257-L280 HydrophobicContact CG2-CD2 3.83Å; L259-L280 HydrophobicContact CD2-CD1 4.02Å; L259-L280 HydrophobicContact CD2-CD2 3.7Å; L259-L280 HydrophobicContact CD2-CG 4.48Å; C263-L280 HydrophobicContact CB-CD1 4.07Å; L280-T282 HydrophobicContact CG-CG2 4.44Å; L280-Y287 PolarHBondContact N-O 2.86Å; L280-Y287 PolarHBondContact O-N 3.34Å; L280-M289 HydrophobicContact CB-CE 3.67Å; L280-I304 HydrophobicContact CD1-CG2 4.13Å
281K94.8Very high93Very high69 Ų6950.9 Ų50.930%0.327%0.27SS..EExtended strand (participates in β ladder)trans-91.1134.6169.9-59.3179.4-173.4166.30108.6C263 C264 E266 T286C263-K281 VanDerWaalsContact CA-O 3.26Å; C263-K281 WeakPolarHBondContact CA-O 3.19Å; C264-K281 PolarHBondContact N-O 2.94Å; C264-K281 PolarHBondContact O-N 3.09Å; E266-K281 WeakPolarHBondContact OE1-CE 3.42Å; E266-K281 IonicContact OE1-NZ 2.71Å; E266-K281 PolarHBondContact OE1-NZ 3.35Å; E266-K281 VanDerWaalsContact OE2-CE 3.24Å; E266-K281 WeakPolarHBondContact OE2-CE 3.44Å; E266-K281 IonicContact OE2-NZ 3.75Å; E266-K281 PolarHBondContact OE2-NZ 3.32Å; K281-T286 HydrophobicContact CG-CG2 4.01Å
282T93.2Very high93.2Very high27 Ų2750.8 Ų50.817%0.16628%0.284CS..  trans-118169.316677.70000108.6I257 L280 S284 K285 Y287I257-T282 HydrophobicContact CG2-CG2 3.89Å; L280-T282 HydrophobicContact CG-CG2 4.44Å; T282-S284 PolarHBondContact O-N 2.92Å; T282-S284 PolarHBondContact OG1-N 3.32Å; T282-K285 PolarHBondContact N-O 3.22Å; T282-K285 PolarHBondContact O-N 3.49Å; T282-K285 PolarHBondContact OG1-N 2.77Å; T282-K285 PolarHBondContact OG1-O 2.87Å; T282-Y287 HydrophobicContact CG2-CD2 4.21Å; T282-Y287 HydrophobicContact CG2-CE2 3.92Å
283L89.5Confident93.7Very high135 Ų13549.1 Ų49.171%0.70728%0.275SS*.SBendtrans-49.5-26.9176.9-72.8176.8000115N262N262-L283 HydrophobicContact CB-CD1 4.17Å; N262-L283 HydrophobicContact CB-CD2 3.63Å; N262-L283 HydrophobicContact CB-CG 3.65Å
284S86.9Confident94.2Very high95 Ų9548.5 Ų48.566%0.66426%0.255SS*.SBendtrans-114.9-23.3-175.762.60000114.9T282T282-S284 PolarHBondContact O-N 2.92Å; T282-S284 PolarHBondContact OG1-N 3.32Å
285K90.8Very high94.4Very high108 Ų10852.8 Ų52.847%0.4727%0.273SS..  trans-150.5134.7-165.8-70.5168.2-170.5160.30112T282 Y287T282-K285 PolarHBondContact N-O 3.22Å; T282-K285 PolarHBondContact O-N 3.49Å; T282-K285 PolarHBondContact OG1-N 2.77Å; T282-K285 PolarHBondContact OG1-O 2.87Å; K285-Y287 HydrophobicContact CB-CD2 4.15Å; K285-Y287 HydrophobicContact CB-CE2 3.49Å; K285-Y287 VanDerWaalsContact CB-CE2 3.49Å; K285-Y287 HydrophobicContact CD-CE2 4.42Å; K285-Y287 WeakPolarHBondContact CD-OH 3.48Å
286T93.4Very high94.5Very high55 Ų5546.8 Ų46.834%0.33725%0.253SS..EExtended strand (participates in β ladder)trans-93.2128164.5-53.70000110Q225 C279 K281Q225-T286 PolarHBondContact NE2-O 2.95Å; C279-T286 HydrophobicContact CB-CG2 3.76Å; K281-T286 HydrophobicContact CG-CG2 4.01Å
287Y94.5Very high94.6Very high29 Ų2948.5 Ų48.511%0.11426%0.258CS..EExtended strand (participates in β ladder)trans-109.2105.4178.6-65.3-98.3000109.5I257 C279 L280 T282 K285I257-Y287 HydrophobicContact CD1-CD1 3.46Å; I257-Y287 VanDerWaalsContact CD1-CD1 3.46Å; I257-Y287 HydrophobicContact CD1-CD2 4.15Å; I257-Y287 HydrophobicContact CD1-CE1 3.65Å; I257-Y287 HydrophobicContact CD1-CE2 4.32Å; I257-Y287 HydrophobicContact CD1-CG 3.73Å; I257-Y287 HydrophobicContact CG1-CD1 4.08Å; I257-Y287 HydrophobicContact CG1-CE1 3.71Å; I257-Y287 HydrophobicContact CG1-CE2 4.31Å; I257-Y287 HydrophobicContact CG2-CD2 4.22Å; I257-Y287 HydrophobicContact CG2-CE2 3.82Å; C279-Y287 WeakPolarHBondContact CA-O 3.43Å; C279-Y287 WeakPolarHBondContact CB-O 3.41Å; L280-Y287 PolarHBondContact N-O 2.86Å; L280-Y287 PolarHBondContact O-N 3.34Å; T282-Y287 HydrophobicContact CG2-CD2 4.21Å; T282-Y287 HydrophobicContact CG2-CE2 3.92Å; K285-Y287 HydrophobicContact CB-CD2 4.15Å; K285-Y287 HydrophobicContact CB-CE2 3.49Å; K285-Y287 VanDerWaalsContact CB-CE2 3.49Å; K285-Y287 HydrophobicContact CD-CE2 4.42Å; K285-Y287 WeakPolarHBondContact CD-OH 3.48Å
288E95.2Very high94.6Very high39 Ų3954 Ų5418%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-82.7131.6178-62.1178.9-150.700111.3K223 W230 L268 R271 C279K223-E288 HydrophobicContact CB-CB 3.87Å; K223-E288 HydrophobicContact CD-CB 3.91Å; K223-E288 HydrophobicContact CD-CG 4.31Å; K223-E288 WeakPolarHBondContact CD-OE2 3.42Å; K223-E288 PolarHBondContact N-O 3.3Å; K223-E288 IonicContact NZ-OE1 2.7Å; K223-E288 IonicContact NZ-OE2 3.86Å; K223-E288 PolarHBondContact NZ-OE2 3.3Å; W230-E288 HydrophobicContact CH2-CB 4.16Å; L268-E288 HydrophobicContact CD1-CG 4.29Å; R271-E288 IonicContact CZ-OE2 3.41Å; R271-E288 IonicContact NE-OE2 2.66Å; R271-E288 IonicContact NH2-OE1 3.82Å; R271-E288 PolarHBondContact NH2-OE1 3.04Å; R271-E288 IonicContact NH2-OE2 3.23Å; R271-E288 PolarHBondContact NH2-OE2 3.19Å; C279-E288 HydrophobicContact CB-CG 4.35Å
289M96Very high94.5Very high0 Ų056.8 Ų56.80%030%0.296CS..EExtended strand (participates in β ladder)trans-137.9151.1-174.6-71.9172.7-77.300111.3L220 W221 F235 L242 M277 F278 L280L220-M289 HydrophobicContact CD1-SD 4.13Å; W221-M289 CarbonylContact O-C 3.46Å; W221-M289 VanDerWaalsContact O-CA 3.3Å; W221-M289 WeakPolarHBondContact O-CA 3.28Å; F235-M289 HydrophobicContact CD1-SD 4.47Å; F235-M289 HydrophobicContact CE1-SD 3.69Å; F235-M289 HydrophobicContact CZ-CG 4.33Å; F235-M289 HydrophobicContact CZ-SD 3.85Å; L242-M289 HydrophobicContact CD2-CE 4.48Å; L242-M289 HydrophobicContact CD2-SD 4.46Å; M277-M289 WeakPolarHBondContact CA-O 3.12Å; F278-M289 HydrophobicContact CD1-CB 4.21Å; F278-M289 HydrophobicContact CD2-CB 4.37Å; F278-M289 HydrophobicContact CD2-CE 4.18Å; F278-M289 HydrophobicContact CE1-CB 3.79Å; F278-M289 HydrophobicContact CE2-CB 3.97Å; F278-M289 HydrophobicContact CE2-CE 3.57Å; F278-M289 HydrophobicContact CE2-SD 4.05Å; F278-M289 HydrophobicContact CG-CB 4.5Å; F278-M289 HydrophobicContact CZ-CB 3.66Å; F278-M289 HydrophobicContact CZ-CE 4.22Å; F278-M289 HydrophobicContact CZ-CG 4.47Å; F278-M289 HydrophobicContact CZ-SD 4.09Å; F278-M289 PolarHBondContact N-O 2.97Å; F278-M289 PolarHBondContact O-N 3.11Å; L280-M289 HydrophobicContact CB-CE 3.67Å
290S96.6Very high94.6Very high4 Ų456.7 Ų56.73%0.02830%0.295CS..EExtended strand (participates in β ladder)trans-136127.1179.11650000108.8W221 R275W221-S290 PolarHBondContact N-O 3.47Å; W221-S290 PolarHBondContact O-N 2.89Å; R275-S290 PolarHBondContact O-OG 2.94Å
291A96.6Very high94.7Very high6 Ų657.4 Ų57.45%0.0530%0.3CS..  trans-91165.9175.500000111.2L220 C276 D293 Q296 R297L220-A291 HydrophobicContact CD2-CB 3.86Å; C276-A291 HydrophobicContact CB-CB 4.49Å; C276-A291 PolarHBondContact O-N 2.67Å; A291-D293 VanDerWaalsContact C-N 3.27Å; A291-D293 PolarHBondContact O-N 3.41Å; A291-Q296 HydrophobicContact CB-CB 4Å; A291-R297 HydrophobicContact CB-CB 4.13Å
292S94.4Very high94.8Very high93 Ų9356.4 Ų56.465%0.6530%0.304SS*.SBendtrans-54.5-42.4171.943.70000112.8Q296S292-Q296 WeakPolarHBondContact OG-CG 3.48Å
293D95.4Very high94.9Very high61 Ų6155.7 Ų55.733%0.32630%0.301SS..SBendtrans-155.5174.2-167.16481.7000111.9C276 A291 K295 Q296 R297C276-D293 VanDerWaalsContact SG-CA 3.55Å; A291-D293 VanDerWaalsContact C-N 3.27Å; A291-D293 PolarHBondContact O-N 3.41Å; D293-K295 PolarHBondContact O-N 3.23Å; D293-K295 WeakPolarHBondContact OD1-CA 3.4Å; D293-K295 VanDerWaalsContact OD1-CB 3.24Å; D293-K295 WeakPolarHBondContact OD1-CB 3.34Å; D293-K295 PolarHBondContact OD1-N 2.95Å; D293-Q296 PolarHBondContact OD1-N 3.31Å; D293-Q296 VanDerWaalsContact OD2-CG 3.25Å; D293-Q296 WeakPolarHBondContact OD2-CG 3.37Å; D293-R297 PolarHBondContact O-N 2.88Å
294T95.1Very high95.3Very high69 Ų6949.3 Ų49.342%0.42327%0.268SS..Hα-helixtrans-66.1-34.8-177.6-61.80000113.3R297 Q298T294-R297 PolarHBondContact O-N 3.32Å; T294-Q298 WeakPolarHBondContact O-CG 3.47Å; T294-Q298 PolarHBondContact O-N 3.34Å; T294-Q298 PolarHBondContact O-OE1 3.4Å
295K95.7Very high95.7Very high133 Ų13349.6 Ų49.658%0.57826%0.259SS*.Hα-helixtrans-70.2-48.7179.8-172.3-165.4-177.4-109.60109.5D293 R297 Q298 E299D293-K295 PolarHBondContact O-N 3.23Å; D293-K295 WeakPolarHBondContact OD1-CA 3.4Å; D293-K295 VanDerWaalsContact OD1-CB 3.24Å; D293-K295 WeakPolarHBondContact OD1-CB 3.34Å; D293-K295 PolarHBondContact OD1-N 2.95Å; K295-R297 VanDerWaalsContact C-N 3.32Å; K295-R297 PolarHBondContact O-N 3.32Å; K295-Q298 WeakPolarHBondContact O-CB 3.5Å; K295-Q298 PolarHBondContact O-N 3.41Å; K295-E299 VanDerWaalsContact CE-OE1 3.29Å; K295-E299 WeakPolarHBondContact CE-OE1 3.45Å; K295-E299 WeakPolarHBondContact CG-OE1 3.44Å; K295-E299 IonicContact NZ-OE1 3.77Å; K295-E299 PolarHBondContact NZ-OE1 3.41Å; K295-E299 WeakPolarHBondContact O-CG 3.29Å; K295-E299 PolarHBondContact O-N 2.79Å
296Q95.8Very high95.9Very high45 Ų4545.7 Ų45.721%0.2124%0.244CC..Hα-helixtrans-59.2-40.5174.2-75.7-55.1-45.900112.1K216 A291 S292 D293 Q298 E299 W300K216-Q296 VanDerWaalsContact CE-OE1 3.26Å; A291-Q296 HydrophobicContact CB-CB 4Å; S292-Q296 WeakPolarHBondContact OG-CG 3.48Å; D293-Q296 PolarHBondContact OD1-N 3.31Å; D293-Q296 VanDerWaalsContact OD2-CG 3.25Å; D293-Q296 WeakPolarHBondContact OD2-CG 3.37Å; Q296-Q298 PolarHBondContact O-N 2.86Å; Q296-E299 PolarHBondContact NE2-OE1 2.93Å; Q296-E299 PolarHBondContact NE2-OE2 2.97Å; Q296-E299 PolarHBondContact O-N 3.28Å; Q296-E299 PolarHBondContact OE1-OE2 2.96Å; Q296-W300 WeakPolarHBondContact O-CB 3.49Å; Q296-W300 PolarHBondContact O-N 3.36Å
297R96.4Very high96Very high47 Ų4743 Ų4318%0.17723%0.228CC..Hα-helixtrans-58.6-45.8171.7-176.8-171.164.2-173.5-2.3112.1V267 C276 M277 F278 A291 D293 T294 K295 T301V267-R297 VanDerWaalsContact CG1-NH1 3.3Å; C276-R297 HydrophobicContact CB-CB 4.44Å; C276-R297 WeakPolarHBondContact O-CD 3.35Å; M277-R297 VanDerWaalsContact O-CD 3.28Å; M277-R297 WeakPolarHBondContact O-CD 3.19Å; F278-R297 HydrophobicContact CB-CG 4.47Å; F278-R297 HydrophobicContact CD1-CG 4.06Å; A291-R297 HydrophobicContact CB-CB 4.13Å; D293-R297 PolarHBondContact O-N 2.88Å; T294-R297 PolarHBondContact O-N 3.32Å; K295-R297 VanDerWaalsContact C-N 3.32Å; K295-R297 PolarHBondContact O-N 3.32Å; R297-T301 HydrophobicContact CG-CG2 4.37Å; R297-T301 WeakPolarHBondContact O-CB 3.27Å; R297-T301 WeakPolarHBondContact O-CG2 3.42Å; R297-T301 PolarHBondContact O-N 3.03Å; R297-T301 PolarHBondContact O-OG1 3.3Å
298Q96.7Very high95.9Very high115 Ų11542.7 Ų42.754%0.53723%0.227SC..Hα-helixtrans-63.2-47.1178.6-76.2169.2-36.900111.6T294 K295 Q296 W300 T301 A302T294-Q298 WeakPolarHBondContact O-CG 3.47Å; T294-Q298 PolarHBondContact O-N 3.34Å; T294-Q298 PolarHBondContact O-OE1 3.4Å; K295-Q298 WeakPolarHBondContact O-CB 3.5Å; K295-Q298 PolarHBondContact O-N 3.41Å; Q296-Q298 PolarHBondContact O-N 2.86Å; Q298-W300 PolarHBondContact O-N 3.03Å; Q298-T301 PolarHBondContact O-N 3.47Å; Q298-T301 PolarHBondContact O-OG1 3.44Å; Q298-A302 VanDerWaalsContact O-CB 3.24Å; Q298-A302 WeakPolarHBondContact O-CB 3.08Å; Q298-A302 PolarHBondContact O-N 3.35Å
299E96.3Very high95.9Very high59 Ų5946 Ų4628%0.27624%0.238SC..Hα-helixtrans-57.8-48.6175.1-69.6173.9-159.400112.1K216 K295 Q296 A303K216-E299 HydrophobicContact CD-CB 4.02Å; K216-E299 IonicContact NZ-OE2 2.66Å; K216-E299 PolarHBondContact NZ-OE2 3.33Å; K295-E299 VanDerWaalsContact CE-OE1 3.29Å; K295-E299 WeakPolarHBondContact CE-OE1 3.45Å; K295-E299 WeakPolarHBondContact CG-OE1 3.44Å; K295-E299 IonicContact NZ-OE1 3.77Å; K295-E299 PolarHBondContact NZ-OE1 3.41Å; K295-E299 WeakPolarHBondContact O-CG 3.29Å; K295-E299 PolarHBondContact O-N 2.79Å; Q296-E299 PolarHBondContact NE2-OE1 2.93Å; Q296-E299 PolarHBondContact NE2-OE2 2.97Å; Q296-E299 PolarHBondContact O-N 3.28Å; Q296-E299 PolarHBondContact OE1-OE2 2.96Å; E299-A303 WeakPolarHBondContact O-CB 3.24Å; E299-A303 PolarHBondContact O-N 3.22Å
300W97.4Very high95.7Very high2 Ų246.1 Ų46.11%0.00824%0.239CC..Hα-helixtrans-63.2-46.2178.8-84.4112.5000112.7K216 L220 F235 L237 L242 F278 Q296 Q298 A303 I304K216-W300 HydrophobicContact CB-CE3 4.29Å; K216-W300 HydrophobicContact CB-CH2 4.43Å; K216-W300 HydrophobicContact CB-CZ3 4.11Å; K216-W300 HydrophobicContact CD-CD2 3.75Å; K216-W300 HydrophobicContact CD-CE3 4.03Å; K216-W300 HydrophobicContact CD-CG 4.02Å; K216-W300 VanDerWaalsContact CE-CD1 3.43Å; K216-W300 HydrophobicContact CG-CD2 4.17Å; K216-W300 HydrophobicContact CG-CE3 4.15Å; K216-W300 HydrophobicContact CG-CH2 4.13Å; K216-W300 HydrophobicContact CG-CZ2 4.14Å; K216-W300 HydrophobicContact CG-CZ3 4.13Å; L220-W300 HydrophobicContact CD1-CD2 3.81Å; L220-W300 HydrophobicContact CD1-CE3 4.2Å; L220-W300 HydrophobicContact CD1-CG 4.17Å; L220-W300 HydrophobicContact CD1-CH2 4.46Å; L220-W300 HydrophobicContact CD1-CZ2 4.09Å; L220-W300 HydrophobicContact CD2-CG 4.23Å; L220-W300 HydrophobicContact CG-CD2 4.35Å; L220-W300 HydrophobicContact CG-CZ2 4.17Å; F235-W300 HydrophobicContact CB-CH2 3.53Å; F235-W300 HydrophobicContact CB-CZ2 4.12Å; F235-W300 HydrophobicContact CB-CZ3 4.16Å; L237-W300 HydrophobicContact CB-CZ3 4.13Å; L242-W300 HydrophobicContact CD1-CZ3 4.19Å; F278-W300 HydrophobicContact CE1-CB 4.28Å; F278-W300 HydrophobicContact CZ-CB 3.95Å; F278-W300 HydrophobicContact CZ-CG 4.44Å; Q296-W300 WeakPolarHBondContact O-CB 3.49Å; Q296-W300 PolarHBondContact O-N 3.36Å; Q298-W300 PolarHBondContact O-N 3.03Å; W300-A303 PolarHBondContact O-N 2.96Å; W300-I304 WeakPolarHBondContact O-CB 3.23Å; W300-I304 WeakPolarHBondContact O-CD1 3.44Å; W300-I304 VanDerWaalsContact O-CG1 3.22Å; W300-I304 WeakPolarHBondContact O-CG1 3.47Å; W300-I304 PolarHBondContact O-N 3.07Å
301T97.1Very high95.5Very high15 Ų1549.8 Ų49.89%0.09226%0.255CS..Hα-helixtrans-66.7-41.7179.350.80000112.2V265 F278 R297 Q298 I304 Q305V265-T301 HydrophobicContact CG2-CG2 3.98Å; F278-T301 HydrophobicContact CB-CG2 3.78Å; F278-T301 HydrophobicContact CD1-CG2 4.42Å; F278-T301 HydrophobicContact CD2-CG2 3.9Å; F278-T301 HydrophobicContact CG-CG2 3.8Å; R297-T301 HydrophobicContact CG-CG2 4.37Å; R297-T301 WeakPolarHBondContact O-CB 3.27Å; R297-T301 WeakPolarHBondContact O-CG2 3.42Å; R297-T301 PolarHBondContact O-N 3.03Å; R297-T301 PolarHBondContact O-OG1 3.3Å; Q298-T301 PolarHBondContact O-N 3.47Å; Q298-T301 PolarHBondContact O-OG1 3.44Å; T301-I304 PolarHBondContact O-N 2.86Å; T301-Q305 WeakPolarHBondContact O-CB 3.46Å; T301-Q305 VanDerWaalsContact O-CG 3.28Å; T301-Q305 WeakPolarHBondContact O-CG 3.39Å; T301-Q305 PolarHBondContact O-N 3.39Å
302A97.1Very high95.2Very high47 Ų4754.3 Ų54.339%0.38828%0.282SS..Hα-helixtrans-67.4-36.1176.200000113.3Q298 T306Q298-A302 VanDerWaalsContact O-CB 3.24Å; Q298-A302 WeakPolarHBondContact O-CB 3.08Å; Q298-A302 PolarHBondContact O-N 3.35Å; A302-T306 WeakPolarHBondContact O-CB 3.46Å; A302-T306 PolarHBondContact O-N 3.08Å; A302-T306 PolarHBondContact O-OG1 3Å; A302-T306 VanDerWaalsContact O-OG1 3.04Å
303A96.8Very high95.1Very high13 Ų1354 Ų5411%0.10727%0.271CS..Hα-helixtrans-67.1-44.1174.100000111.3K216 L237 E299 W300 T306 A307K216-A303 HydrophobicContact CB-CB 4.02Å; K216-A303 HydrophobicContact CD-CB 4.42Å; L237-A303 VanDerWaalsContact CD2-C 3.42Å; L237-A303 HydrophobicContact CD2-CB 3.6Å; E299-A303 WeakPolarHBondContact O-CB 3.24Å; E299-A303 PolarHBondContact O-N 3.22Å; W300-A303 PolarHBondContact O-N 2.96Å; A303-T306 CarbonylContact O-C 3.45Å; A303-T306 WeakPolarHBondContact O-CA 3.3Å; A303-T306 WeakPolarHBondContact O-CB 3.41Å; A303-T306 PolarHBondContact O-N 3.12Å; A303-T306 VanDerWaalsContact O-N 3.08Å; A303-A307 PolarHBondContact O-N 3.29Å
304I96.4Very high94.8Very high0 Ų054.3 Ų54.30%029%0.287CS..Hα-helixtrans-63.4-42.6175.9-68.6165.9000111.1L237 L242 V265 F278 L280 W300 T301 T306 A307 I308L237-I304 HydrophobicContact CD1-CG1 4.17Å; L237-I304 HydrophobicContact CD2-CG1 3.96Å; L242-I304 HydrophobicContact CD2-CD1 4.14Å; V265-I304 HydrophobicContact CB-CG2 3.83Å; V265-I304 HydrophobicContact CG1-CB 4.24Å; V265-I304 HydrophobicContact CG1-CG2 3.89Å; V265-I304 HydrophobicContact CG2-CD1 4.37Å; V265-I304 HydrophobicContact CG2-CG2 4.2Å; F278-I304 HydrophobicContact CE2-CD1 3.77Å; F278-I304 HydrophobicContact CZ-CD1 4.49Å; L280-I304 HydrophobicContact CD1-CG2 4.13Å; W300-I304 WeakPolarHBondContact O-CB 3.23Å; W300-I304 WeakPolarHBondContact O-CD1 3.44Å; W300-I304 VanDerWaalsContact O-CG1 3.22Å; W300-I304 WeakPolarHBondContact O-CG1 3.47Å; W300-I304 PolarHBondContact O-N 3.07Å; T301-I304 PolarHBondContact O-N 2.86Å; I304-T306 PolarHBondContact O-N 3.45Å; I304-A307 WeakPolarHBondContact O-CB 3.43Å; I304-A307 PolarHBondContact O-N 2.79Å; I304-I308 HydrophobicContact CG2-CD1 3.81Å; I304-I308 WeakPolarHBondContact O-CD1 3.22Å; I304-I308 WeakPolarHBondContact O-CG1 3.31Å; I304-I308 PolarHBondContact O-N 2.66Å
305Q95.7Very high94.5Very high102 Ų10253.9 Ų53.948%0.47728%0.28SS..Hα-helixtrans-59.6-34.3172.1-73.9169.9-6.800112.3V265 T301 R309V265-Q305 HydrophobicContact CG1-CG 3.52Å; T301-Q305 WeakPolarHBondContact O-CB 3.46Å; T301-Q305 VanDerWaalsContact O-CG 3.28Å; T301-Q305 WeakPolarHBondContact O-CG 3.39Å; T301-Q305 PolarHBondContact O-N 3.39Å; Q305-R309 VanDerWaalsContact O-CB 3.27Å; Q305-R309 WeakPolarHBondContact O-CB 3.21Å; Q305-R309 PolarHBondContact O-N 2.68Å
306T95.1Very high94Very high25 Ų2551.6 Ų51.615%0.15328%0.277CS..Hα-helixtrans-71.7-39.1175.3-68.80000112.6A302 A303 I304 R309 L310 L318A302-T306 WeakPolarHBondContact O-CB 3.46Å; A302-T306 PolarHBondContact O-N 3.08Å; A302-T306 PolarHBondContact O-OG1 3Å; A302-T306 VanDerWaalsContact O-OG1 3.04Å; A303-T306 CarbonylContact O-C 3.45Å; A303-T306 WeakPolarHBondContact O-CA 3.3Å; A303-T306 WeakPolarHBondContact O-CB 3.41Å; A303-T306 PolarHBondContact O-N 3.12Å; A303-T306 VanDerWaalsContact O-N 3.08Å; I304-T306 PolarHBondContact O-N 3.45Å; T306-R309 PolarHBondContact O-N 3.03Å; T306-R309 PolarHBondContact OG1-NH1 3.35Å; T306-R309 PolarHBondContact OG1-NH2 2.92Å; T306-L310 HydrophobicContact CG2-CD1 3.97Å; T306-L310 HydrophobicContact CG2-CG 4.47Å; T306-L310 WeakPolarHBondContact O-CB 3.23Å; T306-L310 WeakPolarHBondContact O-CD1 3.23Å; T306-L310 VanDerWaalsContact O-CG 3.22Å; T306-L310 WeakPolarHBondContact O-CG 3.26Å; T306-L310 PolarHBondContact O-N 2.9Å; T306-L318 HydrophobicContact CG2-CD1 4.14Å; T306-L318 HydrophobicContact CG2-CD2 4.13Å
307A95.3Very high93.8Very high0 Ų049.6 Ų49.60%027%0.268CS..Hα-helixtrans-59.9-49.9172.200000111.8L215 L237 L259 A303 I304 R309 L310 H311L215-A307 HydrophobicContact CD1-CB 3.67Å; L237-A307 HydrophobicContact CD1-CB 4.02Å; L237-A307 HydrophobicContact CD2-CB 4.45Å; L237-A307 HydrophobicContact CG-CB 4.43Å; L259-A307 HydrophobicContact CD1-CB 3.64Å; A303-A307 PolarHBondContact O-N 3.29Å; I304-A307 WeakPolarHBondContact O-CB 3.43Å; I304-A307 PolarHBondContact O-N 2.79Å; A307-R309 PolarHBondContact O-N 3.35Å; A307-L310 PolarHBondContact O-N 3.19Å; A307-H311 PolarHBondContact O-N 3.34Å
308I94Very high93.6Very high21 Ų2148.9 Ų48.911%0.10827%0.268CS..Hα-helixtrans-60-44.9177.6-63.7158.6000110.8C263 I304 L310 H311 V312C263-I308 HydrophobicContact CB-CD1 4.04Å; C263-I308 HydrophobicContact CB-CG1 4.05Å; C263-I308 WeakPolarHBondContact O-CD1 3.46Å; I304-I308 HydrophobicContact CG2-CD1 3.81Å; I304-I308 WeakPolarHBondContact O-CD1 3.22Å; I304-I308 WeakPolarHBondContact O-CG1 3.31Å; I304-I308 PolarHBondContact O-N 2.66Å; I308-L310 PolarHBondContact O-N 2.86Å; I308-H311 WeakPolarHBondContact O-CB 3.26Å; I308-H311 PolarHBondContact O-N 3.45Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 2.72Å
309R93.9Very high93.4Very high109 Ų10943.6 Ų43.641%0.41124%0.243SC..Hα-helixtrans-61.1-43.9176.7-178.2178.467.5-98.7-2.7112.3Q305 T306 A307 H311 V312 E313Q305-R309 VanDerWaalsContact O-CB 3.27Å; Q305-R309 WeakPolarHBondContact O-CB 3.21Å; Q305-R309 PolarHBondContact O-N 2.68Å; T306-R309 PolarHBondContact O-N 3.03Å; T306-R309 PolarHBondContact OG1-NH1 3.35Å; T306-R309 PolarHBondContact OG1-NH2 2.92Å; A307-R309 PolarHBondContact O-N 3.35Å; R309-H311 VanDerWaalsContact C-N 3.32Å; R309-H311 PolarHBondContact O-N 3.12Å; R309-V312 PolarHBondContact O-N 2.99Å; R309-E313 VanDerWaalsContact CD-OE1 3.28Å; R309-E313 WeakPolarHBondContact CD-OE1 3.32Å; R309-E313 HydrophobicContact CG-CG 4.31Å; R309-E313 WeakPolarHBondContact CG-OE1 3.5Å; R309-E313 IonicContact NE-OE1 3.92Å; R309-E313 WeakPolarHBondContact O-CB 3.47Å; R309-E313 WeakPolarHBondContact O-CG 3.21Å; R309-E313 PolarHBondContact O-N 2.86Å
310L92.6Very high93.1Very high2 Ų242.7 Ų42.71%0.0124%0.238CC..Hα-helixtrans-60.4-42.7176.7-72.1162.7000111.3L215 P239 T306 A307 I308 E313 G314 K315 L318L215-L310 HydrophobicContact CD1-CD1 4.27Å; L215-L310 HydrophobicContact CD2-CD1 4.42Å; P239-L310 HydrophobicContact CB-CD1 4.38Å; P239-L310 HydrophobicContact CG-CD1 4.38Å; T306-L310 HydrophobicContact CG2-CD1 3.97Å; T306-L310 HydrophobicContact CG2-CG 4.47Å; T306-L310 WeakPolarHBondContact O-CB 3.23Å; T306-L310 WeakPolarHBondContact O-CD1 3.23Å; T306-L310 VanDerWaalsContact O-CG 3.22Å; T306-L310 WeakPolarHBondContact O-CG 3.26Å; T306-L310 PolarHBondContact O-N 2.9Å; A307-L310 PolarHBondContact O-N 3.19Å; I308-L310 PolarHBondContact O-N 2.86Å; L310-E313 CarbonylContact O-C 3.55Å; L310-E313 PolarHBondContact O-N 3.49Å; L310-G314 PolarHBondContact O-N 2.94Å; L310-G314 VanDerWaalsContact O-N 3.12Å; L310-K315 HydrophobicContact CB-CB 4.34Å; L310-K315 HydrophobicContact CD2-CB 3.79Å; L310-K315 HydrophobicContact CD2-CD 4.15Å; L310-K315 PolarHBondContact O-N 3.42Å; L310-L318 HydrophobicContact CD1-CB 3.87Å; L310-L318 HydrophobicContact CD1-CD1 4.34Å; L310-L318 HydrophobicContact CD2-CD1 4.34Å
311H90.9Very high92.9Very high82 Ų8243.7 Ų43.738%0.3824%0.243SC..Hα-helixtrans-59.8-46.8174.4-174.8108.2000112.1L259 G261 A307 I308 R309 E313 G314L259-H311 PolarHBondContact O-ND1 2.85Å; L259-H311 VanDerWaalsContact O-ND1 3.15Å; G261-H311 PolarHBondContact N-CD2 2.91Å; G261-H311 VanDerWaalsContact N-CD2 3.34Å; A307-H311 PolarHBondContact O-N 3.34Å; I308-H311 WeakPolarHBondContact O-CB 3.26Å; I308-H311 PolarHBondContact O-N 3.45Å; R309-H311 VanDerWaalsContact C-N 3.32Å; R309-H311 PolarHBondContact O-N 3.12Å; H311-E313 VanDerWaalsContact C-N 3.32Å; H311-E313 PolarHBondContact O-N 2.94Å; H311-G314 PolarHBondContact O-N 3.36Å; H311-G314 VanDerWaalsContact O-N 3.08Å
312V91.4Very high92.7Very high101 Ų10145.9 Ų45.961%0.61225%0.254SS*.Hα-helixtrans-64.8-34.7177.4172.90000112.2I308 R309 G314I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 2.72Å; R309-V312 PolarHBondContact O-N 2.99Å; V312-G314 PolarHBondContact O-N 3.08Å
313E91.8Very high92.5Very high87 Ų8744 Ų4441%0.40724%0.237SC..THydrogen-bonded Turntrans-77.90.1174-70.2179-154.100113.5R309 L310 H311 K315R309-E313 VanDerWaalsContact CD-OE1 3.28Å; R309-E313 WeakPolarHBondContact CD-OE1 3.32Å; R309-E313 HydrophobicContact CG-CG 4.31Å; R309-E313 WeakPolarHBondContact CG-OE1 3.5Å; R309-E313 IonicContact NE-OE1 3.92Å; R309-E313 WeakPolarHBondContact O-CB 3.47Å; R309-E313 WeakPolarHBondContact O-CG 3.21Å; R309-E313 PolarHBondContact O-N 2.86Å; L310-E313 CarbonylContact O-C 3.55Å; L310-E313 PolarHBondContact O-N 3.49Å; H311-E313 VanDerWaalsContact C-N 3.32Å; H311-E313 PolarHBondContact O-N 2.94Å; E313-K315 VanDerWaalsContact C-N 3.3Å; E313-K315 HydrophobicContact CB-CD 3.85Å; E313-K315 HydrophobicContact CB-CG 4.1Å; E313-K315 PolarHBondContact O-N 2.94Å; E313-K315 WeakPolarHBondContact OE2-CD 3.45Å; E313-K315 VanDerWaalsContact OE2-CE 3.27Å; E313-K315 WeakPolarHBondContact OE2-CE 3.42Å; E313-K315 IonicContact OE2-NZ 3.33Å; E313-K315 PolarHBondContact OE2-NZ 2.63Å
314G89.1Confident92.2Very high66 Ų6647.8 Ų47.868%0.6826%0.255SS*.THydrogen-bonded Turntrans70.220.9-178.100000114.6L310 H311 V312L310-G314 PolarHBondContact O-N 2.94Å; L310-G314 VanDerWaalsContact O-N 3.12Å; H311-G314 PolarHBondContact O-N 3.36Å; H311-G314 VanDerWaalsContact O-N 3.08Å; V312-G314 PolarHBondContact O-N 3.08Å
315K90Very high92.1Very high61 Ų6151.7 Ų51.727%0.26527%0.272SS..  trans-102.6127.7-171.5-67.7173.2-175.31780112L310 E313 D321L310-K315 HydrophobicContact CB-CB 4.34Å; L310-K315 HydrophobicContact CD2-CB 3.79Å; L310-K315 HydrophobicContact CD2-CD 4.15Å; L310-K315 PolarHBondContact O-N 3.42Å; E313-K315 VanDerWaalsContact C-N 3.3Å; E313-K315 HydrophobicContact CB-CD 3.85Å; E313-K315 HydrophobicContact CB-CG 4.1Å; E313-K315 PolarHBondContact O-N 2.94Å; E313-K315 WeakPolarHBondContact OE2-CD 3.45Å; E313-K315 VanDerWaalsContact OE2-CE 3.27Å; E313-K315 WeakPolarHBondContact OE2-CE 3.42Å; E313-K315 IonicContact OE2-NZ 3.33Å; E313-K315 PolarHBondContact OE2-NZ 2.63Å; K315-D321 HydrophobicContact CD-CB 4.16Å; K315-D321 WeakPolarHBondContact CE-OD1 3.32Å; K315-D321 IonicContact NZ-OD1 2.67Å; K315-D321 PolarHBondContact NZ-OD1 2.92Å
316T84.8Confident92Very high84 Ų8448.9 Ų48.952%0.51526%0.257SS..SBendtrans-82.9-17.3-178.952.30000114.5P239P239-T316 WeakPolarHBondContact CG-O 3.29Å
317S90.1Very high91.9Very high3 Ų351 Ų512%0.02126%0.262CS..  trans-150138.4-175.2169.70000111.9D213 H319 K320D213-S317 WeakPolarHBondContact OD1-CB 3.48Å; D213-S317 PolarHBondContact OD1-OG 3.21Å; D213-S317 WeakPolarHBondContact OD2-CB 3.27Å; S317-H319 PolarHBondContact OG-N 2.87Å; S317-K320 WeakPolarHBondContact OG-CG 3.49Å; S317-K320 PolarHBondContact OG-N 3.16Å
318L92.8Very high91.8Very high33 Ų3355.9 Ų55.917%0.17329%0.285CS..Hα-helixtrans-69.3-45.5171.9-177.860000111.4L215 T306 L310 K320 D321 L322L215-L318 HydrophobicContact CD2-CB 3.72Å; L215-L318 HydrophobicContact CD2-CD2 3.89Å; L215-L318 HydrophobicContact CD2-CG 4.46Å; T306-L318 HydrophobicContact CG2-CD1 4.14Å; T306-L318 HydrophobicContact CG2-CD2 4.13Å; L310-L318 HydrophobicContact CD1-CB 3.87Å; L310-L318 HydrophobicContact CD1-CD1 4.34Å; L310-L318 HydrophobicContact CD2-CD1 4.34Å; L318-K320 PolarHBondContact O-N 2.74Å; L318-D321 PolarHBondContact O-N 3.39Å; L318-L322 HydrophobicContact CD1-CD1 4.21Å; L318-L322 HydrophobicContact CD1-CG 4.26Å; L318-L322 HydrophobicContact CD2-CD1 4.45Å; L318-L322 HydrophobicContact CG-CD1 3.9Å; L318-L322 HydrophobicContact CG-CG 4.34Å; L318-L322 WeakPolarHBondContact O-CG 3.5Å; L318-L322 PolarHBondContact O-N 3.36Å
319H92.6Very high91.7Very high3 Ų359.9 Ų59.91%0.01430%0.304CS..Hα-helixtrans-74.3-26-173.4-76.9-71.5000113.1F127 Y144 E209 I210 S317 K323F127-H319 HydrophobicContact CE1-CB 3.89Å; F127-H319 HydrophobicContact CZ-CB 3.64Å; Y144-H319 PolarHBondContact OH-CE1 3.02Å; Y144-H319 PolarHBondContact OH-ND1 2.69Å; E209-H319 VanDerWaalsContact CD-NE2 3.29Å; E209-H319 WeakPolarHBondContact CG-NE2 3.02Å; E209-H319 PolarHBondContact O-CD2 3.47Å; E209-H319 VanDerWaalsContact O-CD2 3.24Å; E209-H319 IonicContact OE1-CE1 2.7Å; E209-H319 PolarHBondContact OE1-CE1 3.43Å; E209-H319 IonicContact OE1-NE2 3.79Å; E209-H319 PolarHBondContact OE1-NE2 2.94Å; I210-H319 HydrophobicContact CG2-CB 4.18Å; S317-H319 PolarHBondContact OG-N 2.87Å; H319-K323 VanDerWaalsContact O-CB 3.23Å; H319-K323 WeakPolarHBondContact O-CB 3.42Å; H319-K323 PolarHBondContact O-N 3.32Å
320K90.9Very high91.6Very high41 Ų4156.7 Ų56.718%0.17829%0.292CS..Hα-helixtrans-67.9-40.4170.8-61.3178.9-162.5-167.70111.4M1 E6 F127 S317 L318 L324M1-K320 HydrophobicContact CE-CB 4.21Å; M1-K320 HydrophobicContact CE-CD 4.16Å; M1-K320 HydrophobicContact CE-CG 3.87Å; E6-K320 VanDerWaalsContact CD-NZ 3.27Å; E6-K320 WeakPolarHBondContact OE1-CD 3.45Å; E6-K320 VanDerWaalsContact OE1-CE 3.27Å; E6-K320 WeakPolarHBondContact OE1-CE 3.48Å; E6-K320 IonicContact OE1-NZ 3.92Å; E6-K320 PolarHBondContact OE1-NZ 3.38Å; E6-K320 IonicContact OE2-NZ 2.67Å; E6-K320 PolarHBondContact OE2-NZ 3.45Å; F127-K320 HydrophobicContact CE2-CG 3.85Å; F127-K320 HydrophobicContact CZ-CG 3.67Å; S317-K320 WeakPolarHBondContact OG-CG 3.49Å; S317-K320 PolarHBondContact OG-N 3.16Å; L318-K320 PolarHBondContact O-N 2.74Å; K320-L324 WeakPolarHBondContact O-CB 3.47Å; K320-L324 PolarHBondContact O-N 3.31Å
321D91.9Very high91.6Very high22 Ų2260.2 Ų60.212%0.11831%0.308CS..Hα-helixtrans-66.7-44.3173.7174.278.7000112.1K315 L318 L324 K325K315-D321 HydrophobicContact CD-CB 4.16Å; K315-D321 WeakPolarHBondContact CE-OD1 3.32Å; K315-D321 IonicContact NZ-OD1 2.67Å; K315-D321 PolarHBondContact NZ-OD1 2.92Å; L318-D321 PolarHBondContact O-N 3.39Å; D321-L324 PolarHBondContact O-N 2.91Å; D321-K325 WeakPolarHBondContact O-CB 3.45Å; D321-K325 WeakPolarHBondContact O-CG 3.49Å; D321-K325 PolarHBondContact O-N 2.73Å; D321-K325 VanDerWaalsContact OD1-CE 3.29Å; D321-K325 WeakPolarHBondContact OD1-CE 3.26Å; D321-K325 IonicContact OD1-NZ 2.77Å; D321-K325 PolarHBondContact OD1-NZ 3.48Å; D321-K325 WeakPolarHBondContact OD2-CE 3.26Å; D321-K325 IonicContact OD2-NZ 3.16Å; D321-K325 PolarHBondContact OD2-NZ 2.97Å
322L93.4Very high91.7Very high61 Ų6162.3 Ų62.332%0.31932%0.318SS..Hα-helixtrans-65.3-40176.4-68.8176.7000112.7L318 K325 R326L318-L322 HydrophobicContact CD1-CD1 4.21Å; L318-L322 HydrophobicContact CD1-CG 4.26Å; L318-L322 HydrophobicContact CD2-CD1 4.45Å; L318-L322 HydrophobicContact CG-CD1 3.9Å; L318-L322 HydrophobicContact CG-CG 4.34Å; L318-L322 WeakPolarHBondContact O-CG 3.5Å; L318-L322 PolarHBondContact O-N 3.36Å; L322-K325 PolarHBondContact O-N 2.93Å; L322-R326 WeakPolarHBondContact O-CG 3.45Å; L322-R326 PolarHBondContact O-N 3.49Å
323K92.8Very high91.7Very high8 Ų864.6 Ų64.64%0.03532%0.316CS..Hα-helixtrans-63.3-45.9174.7-173.8-167174.8-171.60111.3F127 L128 S129 H319 K325 R326 R327F127-K323 WeakPolarHBondContact O-CD 3.27Å; F127-K323 WeakPolarHBondContact O-CE 3.43Å; F127-K323 PolarHBondContact O-NZ 2.83Å; L128-K323 WeakPolarHBondContact O-CE 3.24Å; L128-K323 PolarHBondContact O-NZ 3.45Å; S129-K323 PolarHBondContact O-NZ 3.47Å; H319-K323 VanDerWaalsContact O-CB 3.23Å; H319-K323 WeakPolarHBondContact O-CB 3.42Å; H319-K323 PolarHBondContact O-N 3.32Å; K323-K325 VanDerWaalsContact C-N 3.34Å; K323-K325 PolarHBondContact O-N 3.37Å; K323-R326 PolarHBondContact O-N 3.49Å; K323-R327 PolarHBondContact O-N 2.89Å
324L91.6Very high91.6Very high93 Ų9364.4 Ų64.449%0.48732%0.315SS..Hα-helixtrans-58-48.1177.2-177.961.7000110.7K320 D321 R326 R327 E328K320-L324 WeakPolarHBondContact O-CB 3.47Å; K320-L324 PolarHBondContact O-N 3.31Å; D321-L324 PolarHBondContact O-N 2.91Å; L324-R326 PolarHBondContact O-N 3.27Å; L324-R327 PolarHBondContact O-N 3.09Å; L324-R327 VanDerWaalsContact O-N 3.12Å; L324-E328 HydrophobicContact CD1-CG 4.46Å; L324-E328 HydrophobicContact CG-CG 4.45Å; L324-E328 WeakPolarHBondContact O-CG 3.35Å; L324-E328 PolarHBondContact O-N 3.15Å
325K93.4Very high91.8Very high81 Ų8166.5 Ų66.535%0.35231%0.305SS..Hα-helixtrans-60.6-37.6176.4-73.7167.3177.4170.10113.6D321 L322 K323 Q329D321-K325 WeakPolarHBondContact O-CB 3.45Å; D321-K325 WeakPolarHBondContact O-CG 3.49Å; D321-K325 PolarHBondContact O-N 2.73Å; D321-K325 VanDerWaalsContact OD1-CE 3.29Å; D321-K325 WeakPolarHBondContact OD1-CE 3.26Å; D321-K325 IonicContact OD1-NZ 2.77Å; D321-K325 PolarHBondContact OD1-NZ 3.48Å; D321-K325 WeakPolarHBondContact OD2-CE 3.26Å; D321-K325 IonicContact OD2-NZ 3.16Å; D321-K325 PolarHBondContact OD2-NZ 2.97Å; L322-K325 PolarHBondContact O-N 2.93Å; K323-K325 VanDerWaalsContact C-N 3.34Å; K323-K325 PolarHBondContact O-N 3.37Å; K325-Q329 WeakPolarHBondContact O-CB 3.27Å; K325-Q329 VanDerWaalsContact O-CG 3.24Å; K325-Q329 WeakPolarHBondContact O-CG 3.4Å; K325-Q329 PolarHBondContact O-N 3.11Å
326R94.3Very high92Very high44 Ų4472 Ų7217%0.16632%0.324CS..Hα-helixtrans-63.7-43.8173-75.9-166.8-58.6-90.77111.5E141 Y144 L322 K323 L324 Q329 R330E141-R326 IonicContact OE1-NE 3.28Å; E141-R326 PolarHBondContact OE1-NE 2.72Å; E141-R326 IonicContact OE2-CZ 3.79Å; E141-R326 IonicContact OE2-NE 3.78Å; E141-R326 PolarHBondContact OE2-NE 3.38Å; E141-R326 IonicContact OE2-NH2 2.67Å; E141-R326 PolarHBondContact OE2-NH2 2.86Å; Y144-R326 VanDerWaalsContact CZ-NH1 3.35Å; L322-R326 WeakPolarHBondContact O-CG 3.45Å; L322-R326 PolarHBondContact O-N 3.49Å; K323-R326 PolarHBondContact O-N 3.49Å; L324-R326 PolarHBondContact O-N 3.27Å; R326-Q329 PolarHBondContact O-N 3.15Å; R326-R330 WeakPolarHBondContact O-CG 3.46Å; R326-R330 PolarHBondContact O-N 3.44Å
327R91.6Very high92.3Very high69 Ų6975.2 Ų75.226%0.2633%0.327SS..Hα-helixtrans-64.8-45.8176.8177165165.6-176.7-18.4112.6E130 D131 K323 L324 Q329 R330 E331E130-R327 IonicContact OE2-CZ 3.35Å; E130-R327 IonicContact OE2-NE 3.18Å; E130-R327 IonicContact OE2-NH1 3.03Å; E130-R327 PolarHBondContact OE2-NH1 2.89Å; D131-R327 IonicContact OD2-CZ 3.66Å; D131-R327 IonicContact OD2-NH1 3.58Å; D131-R327 PolarHBondContact OD2-NH1 3.41Å; K323-R327 PolarHBondContact O-N 2.89Å; L324-R327 PolarHBondContact O-N 3.09Å; L324-R327 VanDerWaalsContact O-N 3.12Å; R327-Q329 VanDerWaalsContact C-N 3.28Å; R327-Q329 PolarHBondContact O-N 2.81Å; R327-R330 WeakPolarHBondContact O-CB 3.47Å; R327-R330 PolarHBondContact O-N 3.48Å; R327-R330 VanDerWaalsContact O-N 3.08Å; R327-E331 HydrophobicContact CG-CG 4.36Å; R327-E331 WeakPolarHBondContact CG-OE1 3.32Å; R327-E331 IonicContact CZ-OE1 3.21Å; R327-E331 IonicContact NE-OE1 2.7Å; R327-E331 PolarHBondContact NE-OE1 2.91Å; R327-E331 WeakPolarHBondContact O-CG 3.27Å; R327-E331 PolarHBondContact O-N 3.32Å
328E93.3Very high92.4Very high102 Ų10279.3 Ų79.348%0.47735%0.346SS..Hα-helixtrans-55.9-42.8173.6-71.1168.9167.700111.5L324 Q332L324-E328 HydrophobicContact CD1-CG 4.46Å; L324-E328 HydrophobicContact CG-CG 4.45Å; L324-E328 WeakPolarHBondContact O-CG 3.35Å; L324-E328 PolarHBondContact O-N 3.15Å; E328-Q332 VanDerWaalsContact O-CB 3.27Å; E328-Q332 WeakPolarHBondContact O-CB 3.46Å; E328-Q332 PolarHBondContact O-N 3.1Å
329Q93.1Very high92.6Very high106 Ų10680.5 Ų80.550%0.49536%0.36SS..Hα-helixtrans-64.7-40.7174.3-73.6175.531.900112.8K325 R326 R327 Q332 R333K325-Q329 WeakPolarHBondContact O-CB 3.27Å; K325-Q329 VanDerWaalsContact O-CG 3.24Å; K325-Q329 WeakPolarHBondContact O-CG 3.4Å; K325-Q329 PolarHBondContact O-N 3.11Å; R326-Q329 PolarHBondContact O-N 3.15Å; R327-Q329 VanDerWaalsContact C-N 3.28Å; R327-Q329 PolarHBondContact O-N 2.81Å; Q329-Q332 PolarHBondContact O-N 3.35Å; Q329-R333 WeakPolarHBondContact O-CB 3.44Å; Q329-R333 VanDerWaalsContact O-CG 3.24Å; Q329-R333 WeakPolarHBondContact O-CG 3.22Å; Q329-R333 PolarHBondContact O-N 3.21Å
330R91.9Very high92.7Very high42 Ų4286.2 Ų86.216%0.15839%0.385CS..Hα-helixtrans-62.5-49.9175-75-174.6-79.9117.7-15.1111.4E130 E141 R326 R327 Q332 R333 E334E130-R330 IonicContact OE1-CZ 3.18Å; E130-R330 VanDerWaalsContact OE1-CZ 3.23Å; E130-R330 IonicContact OE1-NH1 2.71Å; E130-R330 PolarHBondContact OE1-NH1 3.47Å; E130-R330 IonicContact OE1-NH2 2.89Å; E130-R330 PolarHBondContact OE1-NH2 3.37Å; E141-R330 IonicContact OE1-CZ 2.75Å; E141-R330 IonicContact OE1-NE 3.22Å; E141-R330 IonicContact OE1-NH2 3.69Å; E141-R330 PolarHBondContact OE1-NH2 2.94Å; R326-R330 WeakPolarHBondContact O-CG 3.46Å; R326-R330 PolarHBondContact O-N 3.44Å; R327-R330 WeakPolarHBondContact O-CB 3.47Å; R327-R330 PolarHBondContact O-N 3.48Å; R327-R330 VanDerWaalsContact O-N 3.08Å; R330-Q332 VanDerWaalsContact C-N 3.29Å; R330-Q332 PolarHBondContact O-N 2.7Å; R330-R333 WeakPolarHBondContact O-CB 3.19Å; R330-R333 PolarHBondContact O-N 2.82Å; R330-E334 PolarHBondContact O-N 2.95Å
331E91.3Very high92.9Very high76 Ų7689.4 Ų89.436%0.35540%0.4SS..Hα-helixtrans-60.7-36.6176.9-68.5-179-158.100111.9R327 E334 K335R327-E331 HydrophobicContact CG-CG 4.36Å; R327-E331 WeakPolarHBondContact CG-OE1 3.32Å; R327-E331 IonicContact CZ-OE1 3.21Å; R327-E331 IonicContact NE-OE1 2.7Å; R327-E331 PolarHBondContact NE-OE1 2.91Å; R327-E331 WeakPolarHBondContact O-CG 3.27Å; R327-E331 PolarHBondContact O-N 3.32Å; E331-E334 PolarHBondContact O-N 3.02Å; E331-K335 WeakPolarHBondContact O-CB 3.48Å; E331-K335 WeakPolarHBondContact O-CD 3.39Å; E331-K335 VanDerWaalsContact O-CG 3.25Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 3.13Å; E331-K335 IonicContact OE2-NZ 2.72Å
332Q93.2Very high93Very high125 Ų12592.7 Ų92.758%0.58442%0.415SS*.Hα-helixtrans-73.6-34.6176.2-170.4646.700113.2E328 Q329 R330 R336E328-Q332 VanDerWaalsContact O-CB 3.27Å; E328-Q332 WeakPolarHBondContact O-CB 3.46Å; E328-Q332 PolarHBondContact O-N 3.1Å; Q329-Q332 PolarHBondContact O-N 3.35Å; R330-Q332 VanDerWaalsContact C-N 3.29Å; R330-Q332 PolarHBondContact O-N 2.7Å; Q332-R336 WeakPolarHBondContact O-CB 3.38Å; Q332-R336 PolarHBondContact O-N 3.18Å; Q332-R336 VanDerWaalsContact O-N 3.09Å
333R92.1Very high93.1Very high150 Ų15095.5 Ų95.557%0.56643%0.426SS*.Hα-helixtrans-62.9-43.6170.3-72.8169.7-167.8177.26.2110.7D140 Q329 R330 R336 R337D140-R333 IonicContact OD2-NH1 2.61Å; D140-R333 PolarHBondContact OD2-NH1 3.12Å; Q329-R333 WeakPolarHBondContact O-CB 3.44Å; Q329-R333 VanDerWaalsContact O-CG 3.24Å; Q329-R333 WeakPolarHBondContact O-CG 3.22Å; Q329-R333 PolarHBondContact O-N 3.21Å; R330-R333 WeakPolarHBondContact O-CB 3.19Å; R330-R333 PolarHBondContact O-N 2.82Å; R333-R336 PolarHBondContact O-N 2.99Å; R333-R337 PolarHBondContact O-N 3.49Å
334E89.6Confident93.3Very high83 Ų8399.1 Ų99.139%0.38845%0.446SS..Hα-helixtrans-65.4-48.6178.1174.1149.4-117.300112.4R330 E331 R336 R337 Q338R330-E334 PolarHBondContact O-N 2.95Å; E331-E334 PolarHBondContact O-N 3.02Å; E334-R336 PolarHBondContact O-N 3.28Å; E334-R337 WeakPolarHBondContact O-CA 3.31Å; E334-R337 WeakPolarHBondContact O-CB 3.48Å; E334-R337 PolarHBondContact O-N 3.15Å; E334-R337 IonicContact OE1-CZ 2.68Å; E334-R337 IonicContact OE1-NH2 2.85Å; E334-R337 PolarHBondContact OE1-NH2 3.25Å; E334-Q338 HydrophobicContact CG-CG 4.33Å; E334-Q338 WeakPolarHBondContact O-CG 3.12Å; E334-Q338 PolarHBondContact O-N 3.45Å
335K92.8Very high93.5Very high109 Ų109100 Ų10047%0.47445%0.447SS..Hα-helixtrans-55.2-38.9173.9-72.5162.1-172162.40111.7E331 A339E331-K335 WeakPolarHBondContact O-CB 3.48Å; E331-K335 WeakPolarHBondContact O-CD 3.39Å; E331-K335 VanDerWaalsContact O-CG 3.25Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 3.13Å; E331-K335 IonicContact OE2-NZ 2.72Å; K335-A339 VanDerWaalsContact O-CB 3.3Å; K335-A339 WeakPolarHBondContact O-CB 3.45Å; K335-A339 PolarHBondContact O-N 3.34Å
336R93.9Very high93.7Very high177 Ų177103.6 Ų103.667%0.66846%0.459SS*.Hα-helixtrans-70.4-30175-168.3-179.9-175.2-158.22.8113.5Q332 R333 E334 K340Q332-R336 WeakPolarHBondContact O-CB 3.38Å; Q332-R336 PolarHBondContact O-N 3.18Å; Q332-R336 VanDerWaalsContact O-N 3.09Å; R333-R336 PolarHBondContact O-N 2.99Å; E334-R336 PolarHBondContact O-N 3.28Å; R336-K340 WeakPolarHBondContact O-CG 3.33Å; R336-K340 PolarHBondContact O-N 2.81Å
337R91.2Very high93.8Very high151 Ų151106.4 Ų106.457%0.5748%0.476SS*.Hα-helixtrans-68.5-51.9171.6174.5176.965.9179.40.4110.3R333 E334 A339 K340 E341R333-R337 PolarHBondContact O-N 3.49Å; E334-R337 WeakPolarHBondContact O-CA 3.31Å; E334-R337 WeakPolarHBondContact O-CB 3.48Å; E334-R337 PolarHBondContact O-N 3.15Å; E334-R337 IonicContact OE1-CZ 2.68Å; E334-R337 IonicContact OE1-NH2 2.85Å; E334-R337 PolarHBondContact OE1-NH2 3.25Å; R337-A339 PolarHBondContact O-N 3.03Å; R337-K340 WeakPolarHBondContact O-CB 3.21Å; R337-K340 PolarHBondContact O-N 3.24Å; R337-E341 PolarHBondContact O-N 2.68Å
338Q93.7Very high94Very high90 Ų90110.2 Ų110.242%0.42149%0.491SS..Hα-helixtrans-58.6-47.8179.3-70.2167.3-13.400111.4E334 K340 E341 E342E334-Q338 HydrophobicContact CG-CG 4.33Å; E334-Q338 WeakPolarHBondContact O-CG 3.12Å; E334-Q338 PolarHBondContact O-N 3.45Å; Q338-K340 VanDerWaalsContact C-N 3.32Å; Q338-K340 PolarHBondContact O-N 2.94Å; Q338-E341 PolarHBondContact O-N 3.24Å; Q338-E342 PolarHBondContact O-N 2.93Å
339A95.1Very high94.2Very high58 Ų58108 Ų10848%0.47949%0.49SS..Hα-helixtrans-59.9-38.6177.500000113.4K335 R337 E343K335-A339 VanDerWaalsContact O-CB 3.3Å; K335-A339 WeakPolarHBondContact O-CB 3.45Å; K335-A339 PolarHBondContact O-N 3.34Å; R337-A339 PolarHBondContact O-N 3.03Å; A339-E343 VanDerWaalsContact O-CB 3.27Å; A339-E343 WeakPolarHBondContact O-CB 3.26Å; A339-E343 PolarHBondContact O-N 3.4Å
340K95.4Very high94.4Very high123 Ų123107.9 Ų107.954%0.53549%0.492SS..Hα-helixtrans-68.1-35173.5-80.4-178.7167.8-1610112.9R336 R337 Q338 L344R336-K340 WeakPolarHBondContact O-CG 3.33Å; R336-K340 PolarHBondContact O-N 2.81Å; R337-K340 WeakPolarHBondContact O-CB 3.21Å; R337-K340 PolarHBondContact O-N 3.24Å; Q338-K340 VanDerWaalsContact C-N 3.32Å; Q338-K340 PolarHBondContact O-N 2.94Å; K340-L344 VanDerWaalsContact O-CB 3.29Å; K340-L344 WeakPolarHBondContact O-CB 3.47Å; K340-L344 PolarHBondContact O-N 2.98Å
341E94.4Very high94.5Very high107 Ų107111.3 Ų111.350%0.551%0.51SS..Hα-helixtrans-72-43.2178.9-170.2170.9176.900110.9R337 Q338 L344 Q345R337-E341 PolarHBondContact O-N 2.68Å; Q338-E341 PolarHBondContact O-N 3.24Å; E341-L344 PolarHBondContact O-N 3.22Å; E341-Q345 WeakPolarHBondContact O-CB 3.28Å; E341-Q345 VanDerWaalsContact O-CG 3.26Å; E341-Q345 WeakPolarHBondContact O-CG 3.31Å; E341-Q345 PolarHBondContact O-N 3.46Å
342E95.7Very high94.8Very high92 Ų92112.1 Ų112.143%0.4351%0.514SS..Hα-helixtrans-58.9-45.3168.8-73.7-175.4-137.400112.2Q338 L344 Q345 R346Q338-E342 PolarHBondContact O-N 2.93Å; E342-L344 VanDerWaalsContact C-N 3.35Å; E342-L344 PolarHBondContact O-N 3.38Å; E342-Q345 PolarHBondContact O-N 3.45Å; E342-R346 WeakPolarHBondContact O-CB 3.24Å; E342-R346 WeakPolarHBondContact O-CG 3.37Å; E342-R346 PolarHBondContact O-N 2.88Å; E342-R346 IonicContact OE2-CZ 3.63Å; E342-R346 IonicContact OE2-NH2 2.7Å; E342-R346 PolarHBondContact OE2-NH2 3Å
343E95.4Very high94.9Very high119 Ų119110.4 Ų110.456%0.55651%0.506SS*.Hα-helixtrans-59.2-45.7176-179.1175.7-147.500111.1A339 R346 L347A339-E343 VanDerWaalsContact O-CB 3.27Å; A339-E343 WeakPolarHBondContact O-CB 3.26Å; A339-E343 PolarHBondContact O-N 3.4Å; E343-R346 PolarHBondContact O-N 3Å; E343-L347 HydrophobicContact CG-CD1 4.28Å; E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 VanDerWaalsContact O-CG 3.31Å; E343-L347 WeakPolarHBondContact O-CG 3.17Å; E343-L347 PolarHBondContact O-N 3.29Å
344L96.4Very high95.2Very high84 Ų84111.7 Ų111.744%0.4451%0.511SS..Hα-helixtrans-65.4-38.2176.6-176.459.8000112.5K340 E341 E342 L347 R348K340-L344 VanDerWaalsContact O-CB 3.29Å; K340-L344 WeakPolarHBondContact O-CB 3.47Å; K340-L344 PolarHBondContact O-N 2.98Å; E341-L344 PolarHBondContact O-N 3.22Å; E342-L344 VanDerWaalsContact C-N 3.35Å; E342-L344 PolarHBondContact O-N 3.38Å; L344-L347 PolarHBondContact O-N 2.93Å; L344-R348 WeakPolarHBondContact O-CG 3.35Å; L344-R348 PolarHBondContact O-N 3.29Å
345Q95.4Very high95.5Very high111 Ų111112.6 Ų112.652%0.51952%0.515SS..Hα-helixtrans-65.3-43.1174.1-73.3174.11700111.5E341 E342 R348 A349E341-Q345 WeakPolarHBondContact O-CB 3.28Å; E341-Q345 VanDerWaalsContact O-CG 3.26Å; E341-Q345 WeakPolarHBondContact O-CG 3.31Å; E341-Q345 PolarHBondContact O-N 3.46Å; E342-Q345 PolarHBondContact O-N 3.45Å; Q345-R348 PolarHBondContact O-N 3.06Å; Q345-A349 PolarHBondContact O-N 2.71Å
346R97.1Very high95.7Very high158 Ų158115.3 Ų115.360%0.59652%0.522SS*.Hα-helixtrans-62.5-41.8174.8-68.4168.7-159.5-162.78.9111.6E342 E343 A349 L350E342-R346 WeakPolarHBondContact O-CB 3.24Å; E342-R346 WeakPolarHBondContact O-CG 3.37Å; E342-R346 PolarHBondContact O-N 2.88Å; E342-R346 IonicContact OE2-CZ 3.63Å; E342-R346 IonicContact OE2-NH2 2.7Å; E342-R346 PolarHBondContact OE2-NH2 3Å; E343-R346 PolarHBondContact O-N 3Å; R346-A349 PolarHBondContact O-N 3.05Å; R346-L350 WeakPolarHBondContact O-CB 3.47Å; R346-L350 WeakPolarHBondContact O-CG 3.42Å; R346-L350 PolarHBondContact O-N 3.17Å
347L96.6Very high95.9Very high102 Ų102112.1 Ų112.153%0.53451%0.513SS..Hα-helixtrans-63.4-40.7175.7-73.5170.6000112.4E343 L344 Q351E343-L347 HydrophobicContact CG-CD1 4.28Å; E343-L347 WeakPolarHBondContact O-CB 3.48Å; E343-L347 VanDerWaalsContact O-CG 3.31Å; E343-L347 WeakPolarHBondContact O-CG 3.17Å; E343-L347 PolarHBondContact O-N 3.29Å; L344-L347 PolarHBondContact O-N 2.93Å; L347-Q351 WeakPolarHBondContact O-CB 3.37Å; L347-Q351 PolarHBondContact O-N 3.2Å
348R96.5Very high96.1Very high150 Ų150109.4 Ų109.457%0.56651%0.509SS*.Hα-helixtrans-62.7-47172.7-70.9177.1-162.8-177.86.6111.8L344 Q345 L350 Q351 E352L344-R348 WeakPolarHBondContact O-CG 3.35Å; L344-R348 PolarHBondContact O-N 3.29Å; Q345-R348 PolarHBondContact O-N 3.06Å; R348-L350 VanDerWaalsContact C-N 3.33Å; R348-L350 PolarHBondContact O-N 2.77Å; R348-Q351 WeakPolarHBondContact O-CB 3.42Å; R348-Q351 PolarHBondContact O-N 2.72Å; R348-Q351 VanDerWaalsContact O-N 3.08Å; R348-E352 PolarHBondContact O-N 2.73Å
349A96.4Very high96.3Very high54 Ų54107.8 Ų107.845%0.44651%0.511SS..Hα-helixtrans-60.2-41.7178.700000112.3Q345 R346 Q351 E352 E353Q345-A349 PolarHBondContact O-N 2.71Å; R346-A349 PolarHBondContact O-N 3.05Å; A349-Q351 VanDerWaalsContact C-N 3.35Å; A349-E352 PolarHBondContact O-N 2.78Å; A349-E353 WeakPolarHBondContact O-CB 3.23Å; A349-E353 PolarHBondContact O-N 3.02Å
350L97.5Very high96.3Very high105 Ų105110.8 Ų110.855%0.5552%0.515SS..Hα-helixtrans-66.3-34.2174-71.9169.4000112.7R346 R348 R354R346-L350 WeakPolarHBondContact O-CB 3.47Å; R346-L350 WeakPolarHBondContact O-CG 3.42Å; R346-L350 PolarHBondContact O-N 3.17Å; R348-L350 VanDerWaalsContact C-N 3.33Å; R348-L350 PolarHBondContact O-N 2.77Å; L350-R354 WeakPolarHBondContact O-CB 3.45Å; L350-R354 PolarHBondContact O-N 3.44Å
351Q95Very high96.4Very high114 Ų114109.5 Ų109.553%0.53351%0.514SS..Hα-helixtrans-68.2-46.9173.4179.7174.5-19.400111.2L347 R348 A349 E353 R354 E355L347-Q351 WeakPolarHBondContact O-CB 3.37Å; L347-Q351 PolarHBondContact O-N 3.2Å; R348-Q351 WeakPolarHBondContact O-CB 3.42Å; R348-Q351 PolarHBondContact O-N 2.72Å; R348-Q351 VanDerWaalsContact O-N 3.08Å; A349-Q351 VanDerWaalsContact C-N 3.35Å; Q351-E353 VanDerWaalsContact C-N 3.33Å; Q351-E353 PolarHBondContact O-N 3.46Å; Q351-R354 WeakPolarHBondContact O-CB 3.33Å; Q351-R354 PolarHBondContact O-N 2.97Å; Q351-E355 HydrophobicContact CG-CG 4.45Å; Q351-E355 VanDerWaalsContact CG-OE1 3.24Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.33Å; Q351-E355 PolarHBondContact NE2-OE1 2.82Å; Q351-E355 WeakPolarHBondContact O-CG 3.28Å; Q351-E355 PolarHBondContact O-N 2.83Å
352E96.5Very high96.4Very high92 Ų92111 Ų11143%0.4352%0.521SS..Hα-helixtrans-59.1-42.3174.8-73.2-177.8-138.600112.1R348 A349 R354 E355 R356R348-E352 PolarHBondContact O-N 2.73Å; A349-E352 PolarHBondContact O-N 2.78Å; E352-R354 VanDerWaalsContact C-N 3.34Å; E352-R354 PolarHBondContact O-N 3.17Å; E352-E355 PolarHBondContact O-N 2.91Å; E352-R356 WeakPolarHBondContact O-CB 3.45Å; E352-R356 WeakPolarHBondContact O-CG 3.22Å; E352-R356 PolarHBondContact O-N 3.13Å; E352-R356 IonicContact OE2-CZ 3.81Å; E352-R356 IonicContact OE2-NH2 2.63Å; E352-R356 PolarHBondContact OE2-NH2 3.36Å
353E96.8Very high96.5Very high89 Ų89112.4 Ų112.442%0.41653%0.531SS..Hα-helixtrans-63-41176.2-165.1-163.3140.800111.5A349 Q351 K357A349-E353 WeakPolarHBondContact O-CB 3.23Å; A349-E353 PolarHBondContact O-N 3.02Å; Q351-E353 VanDerWaalsContact C-N 3.33Å; Q351-E353 PolarHBondContact O-N 3.46Å; E353-K357 HydrophobicContact CG-CD 4.42Å; E353-K357 WeakPolarHBondContact O-CB 3.48Å; E353-K357 WeakPolarHBondContact O-CG 3.45Å; E353-K357 PolarHBondContact O-N 3.12Å; E353-K357 WeakPolarHBondContact OE1-CE 3.24Å; E353-K357 IonicContact OE1-NZ 3.72Å; E353-K357 PolarHBondContact OE1-NZ 3.47Å
354R97.3Very high96.6Very high178 Ų178111.6 Ų111.667%0.67253%0.529SS*.Hα-helixtrans-64.4-42.8174.9-178.7-176.5178.1-162-1.6111.9L350 Q351 E352 K357 L358L350-R354 WeakPolarHBondContact O-CB 3.45Å; L350-R354 PolarHBondContact O-N 3.44Å; Q351-R354 WeakPolarHBondContact O-CB 3.33Å; Q351-R354 PolarHBondContact O-N 2.97Å; E352-R354 VanDerWaalsContact C-N 3.34Å; E352-R354 PolarHBondContact O-N 3.17Å; R354-K357 PolarHBondContact O-N 3.33Å; R354-L358 HydrophobicContact CG-CD1 4.14Å; R354-L358 WeakPolarHBondContact O-CB 3.41Å; R354-L358 VanDerWaalsContact O-CG 3.3Å; R354-L358 WeakPolarHBondContact O-CG 3.31Å; R354-L358 PolarHBondContact O-N 2.89Å
355E96.4Very high96.6Very high102 Ų102114.4 Ų114.448%0.47754%0.538SS..Hα-helixtrans-65.9-42.7178.5-74.3170.5-169.700111.3Q351 E352 K357 L358 A359Q351-E355 HydrophobicContact CG-CG 4.45Å; Q351-E355 VanDerWaalsContact CG-OE1 3.24Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.33Å; Q351-E355 PolarHBondContact NE2-OE1 2.82Å; Q351-E355 WeakPolarHBondContact O-CG 3.28Å; Q351-E355 PolarHBondContact O-N 2.83Å; E352-E355 PolarHBondContact O-N 2.91Å; E355-K357 PolarHBondContact O-N 2.91Å; E355-L358 PolarHBondContact O-N 2.98Å; E355-A359 PolarHBondContact O-N 3.21Å
356R97.5Very high96.6Very high166 Ų166114.3 Ų114.363%0.62654%0.538SS*.Hα-helixtrans-59.1-46.8172.3-68.2168.3-156.9-158.89.2111.8E352 L358 A359 E360E352-R356 WeakPolarHBondContact O-CB 3.45Å; E352-R356 WeakPolarHBondContact O-CG 3.22Å; E352-R356 PolarHBondContact O-N 3.13Å; E352-R356 IonicContact OE2-CZ 3.81Å; E352-R356 IonicContact OE2-NH2 2.63Å; E352-R356 PolarHBondContact OE2-NH2 3.36Å; R356-L358 VanDerWaalsContact C-N 3.33Å; R356-L358 PolarHBondContact O-N 3.28Å; R356-A359 PolarHBondContact O-N 3.41Å; R356-E360 WeakPolarHBondContact O-CB 3.43Å; R356-E360 PolarHBondContact O-N 3.43Å
357K97.3Very high96.6Very high109 Ų109109.2 Ų109.247%0.47453%0.529SS..Hα-helixtrans-64.2-33.8176.8-78172.9170.2173.80113.2E353 R354 E355 L361E353-K357 HydrophobicContact CG-CD 4.42Å; E353-K357 WeakPolarHBondContact O-CB 3.48Å; E353-K357 WeakPolarHBondContact O-CG 3.45Å; E353-K357 PolarHBondContact O-N 3.12Å; E353-K357 WeakPolarHBondContact OE1-CE 3.24Å; E353-K357 IonicContact OE1-NZ 3.72Å; E353-K357 PolarHBondContact OE1-NZ 3.47Å; R354-K357 PolarHBondContact O-N 3.33Å; E355-K357 PolarHBondContact O-N 2.91Å; K357-L361 WeakPolarHBondContact O-CB 3.28Å; K357-L361 WeakPolarHBondContact O-CD1 3.43Å; K357-L361 VanDerWaalsContact O-CG 3.23Å; K357-L361 WeakPolarHBondContact O-CG 3.42Å; K357-L361 PolarHBondContact O-N 3.5Å
358L96.4Very high96.5Very high95 Ų95111 Ų11150%0.49754%0.535SS..Hα-helixtrans-69.1-43.6174.2-75.1168.7000111.6R354 E355 R356 L361 E362R354-L358 HydrophobicContact CG-CD1 4.14Å; R354-L358 WeakPolarHBondContact O-CB 3.41Å; R354-L358 VanDerWaalsContact O-CG 3.3Å; R354-L358 WeakPolarHBondContact O-CG 3.31Å; R354-L358 PolarHBondContact O-N 2.89Å; E355-L358 PolarHBondContact O-N 2.98Å; R356-L358 VanDerWaalsContact C-N 3.33Å; R356-L358 PolarHBondContact O-N 3.28Å; L358-L361 PolarHBondContact O-N 3.33Å; L358-E362 WeakPolarHBondContact O-CB 3.48Å; L358-E362 PolarHBondContact O-N 3.36Å
359A96.8Very high96.5Very high56 Ų56111 Ų11146%0.46354%0.539SS..Hα-helixtrans-64-39.2175.800000112.5E355 R356 E362 L363E355-A359 PolarHBondContact O-N 3.21Å; R356-A359 PolarHBondContact O-N 3.41Å; A359-E362 PolarHBondContact O-N 2.97Å; A359-L363 WeakPolarHBondContact O-CB 3.44Å; A359-L363 PolarHBondContact O-N 2.93Å
360E96.5Very high96.4Very high121 Ų121113.8 Ų113.857%0.56554%0.543SS*.Hα-helixtrans-62.3-45.2173.1-175.3177.9-164.200111.6R356 E362 L363 L364R356-E360 WeakPolarHBondContact O-CB 3.43Å; R356-E360 PolarHBondContact O-N 3.43Å; E360-E362 VanDerWaalsContact C-N 3.29Å; E360-E362 PolarHBondContact O-N 2.78Å; E360-L363 PolarHBondContact O-N 3.42Å; E360-L364 HydrophobicContact CG-CD1 4.23Å; E360-L364 WeakPolarHBondContact O-CB 3.36Å; E360-L364 VanDerWaalsContact O-CG 3.27Å; E360-L364 WeakPolarHBondContact O-CG 3.49Å; E360-L364 PolarHBondContact O-N 3.38Å
361L95.8Very high96.2Very high95 Ų95111.1 Ų111.150%0.49754%0.536SS..Hα-helixtrans-66-28.4175.4-74.3169.5000113.4K357 L358 K365K357-L361 WeakPolarHBondContact O-CB 3.28Å; K357-L361 WeakPolarHBondContact O-CD1 3.43Å; K357-L361 VanDerWaalsContact O-CG 3.23Å; K357-L361 WeakPolarHBondContact O-CG 3.42Å; K357-L361 PolarHBondContact O-N 3.5Å; L358-L361 PolarHBondContact O-N 3.33Å; L361-K365 WeakPolarHBondContact O-CD 3.39Å; L361-K365 VanDerWaalsContact O-CG 3.22Å; L361-K365 WeakPolarHBondContact O-CG 3.48Å; L361-K365 PolarHBondContact O-N 3.49Å
362E95.6Very high96.2Very high138 Ų138110.9 Ų110.965%0.64554%0.535SS*.Hα-helixtrans-74-46.8174.3-173.9157.6-139.100111.3L358 A359 E360 L364 K365 E366L358-E362 WeakPolarHBondContact O-CB 3.48Å; L358-E362 PolarHBondContact O-N 3.36Å; A359-E362 PolarHBondContact O-N 2.97Å; E360-E362 VanDerWaalsContact C-N 3.29Å; E360-E362 PolarHBondContact O-N 2.78Å; E362-L364 VanDerWaalsContact C-N 3.32Å; E362-L364 PolarHBondContact O-N 3.34Å; E362-K365 WeakPolarHBondContact O-CB 3.2Å; E362-K365 PolarHBondContact O-N 2.9Å; E362-K365 VanDerWaalsContact O-N 3.15Å; E362-E366 PolarHBondContact O-N 3.3Å
363L97.4Very high96.2Very high123 Ų123109.7 Ų109.764%0.64453%0.534SS*.Hα-helixtrans-58.4-42.2173.8-177.264.8000112A359 E360 E366 A367A359-L363 WeakPolarHBondContact O-CB 3.44Å; A359-L363 PolarHBondContact O-N 2.93Å; E360-L363 PolarHBondContact O-N 3.42Å; L363-E366 PolarHBondContact O-N 3.16Å; L363-A367 WeakPolarHBondContact O-CB 3.45Å; L363-A367 PolarHBondContact O-N 3.11Å
364L97Very high96.1Very high101 Ų101110.5 Ų110.553%0.52954%0.54SS..Hα-helixtrans-63.9-39.8175.8-74.9169.4000112.5E360 E362 Q368E360-L364 HydrophobicContact CG-CD1 4.23Å; E360-L364 WeakPolarHBondContact O-CB 3.36Å; E360-L364 VanDerWaalsContact O-CG 3.27Å; E360-L364 WeakPolarHBondContact O-CG 3.49Å; E360-L364 PolarHBondContact O-N 3.38Å; E362-L364 VanDerWaalsContact C-N 3.32Å; E362-L364 PolarHBondContact O-N 3.34Å; L364-Q368 VanDerWaalsContact O-CB 3.32Å; L364-Q368 WeakPolarHBondContact O-CB 3.45Å; L364-Q368 PolarHBondContact O-N 3.4Å
365K96.2Very high96Very high143 Ų143107.3 Ų107.362%0.62254%0.535SS*.Hα-helixtrans-66.3-40.7174.9-75.8166.3-175.8171.80112.1L361 E362 Q368 K369L361-K365 WeakPolarHBondContact O-CD 3.39Å; L361-K365 VanDerWaalsContact O-CG 3.22Å; L361-K365 WeakPolarHBondContact O-CG 3.48Å; L361-K365 PolarHBondContact O-N 3.49Å; E362-K365 WeakPolarHBondContact O-CB 3.2Å; E362-K365 PolarHBondContact O-N 2.9Å; E362-K365 VanDerWaalsContact O-N 3.15Å; K365-Q368 PolarHBondContact O-N 2.82Å; K365-K369 WeakPolarHBondContact O-CB 3.45Å; K365-K369 PolarHBondContact O-N 2.81Å
366E96.2Very high95.9Very high109 Ų109106.1 Ų106.151%0.50953%0.531SS..Hα-helixtrans-67.8-43.9177.2-179.8154.1-139.300111.4E362 L363 Q368 K369 Q370E362-E366 PolarHBondContact O-N 3.3Å; L363-E366 PolarHBondContact O-N 3.16Å; E366-Q368 VanDerWaalsContact C-N 3.35Å; E366-Q368 PolarHBondContact O-N 3.5Å; E366-K369 WeakPolarHBondContact O-CB 3.25Å; E366-K369 PolarHBondContact O-N 2.89Å; E366-Q370 HydrophobicContact CG-CG 4.43Å; E366-Q370 WeakPolarHBondContact O-CG 3.21Å; E366-Q370 PolarHBondContact O-N 3.06Å
367A96.4Very high95.7Very high51 Ų51102.8 Ų102.842%0.42152%0.523SS..Hα-helixtrans-59.2-43.117300000112.2L363 K369 Q370 A371L363-A367 WeakPolarHBondContact O-CB 3.45Å; L363-A367 PolarHBondContact O-N 3.11Å; A367-K369 PolarHBondContact O-N 3.38Å; A367-Q370 PolarHBondContact O-N 2.93Å; A367-A371 WeakPolarHBondContact O-CB 3.44Å; A367-A371 PolarHBondContact O-N 3.45Å
368Q94.9Very high95.4Very high139 Ų139100.3 Ų100.365%0.6552%0.515SS*.Hα-helixtrans-61.2-42.8174.5-174.7-177.89.300111.9L364 K365 E366 A371 Q372L364-Q368 VanDerWaalsContact O-CB 3.32Å; L364-Q368 WeakPolarHBondContact O-CB 3.45Å; L364-Q368 PolarHBondContact O-N 3.4Å; K365-Q368 PolarHBondContact O-N 2.82Å; E366-Q368 VanDerWaalsContact C-N 3.35Å; E366-Q368 PolarHBondContact O-N 3.5Å; Q368-A371 PolarHBondContact O-N 3.25Å; Q368-Q372 PolarHBondContact O-N 3.33Å
369K96Very high95.2Very high150 Ų15099.7 Ų99.765%0.65251%0.51SS*.Hα-helixtrans-65.1-42.1177.5-176-175.7176.3-170.50111.9K365 E366 A367 Q372 V373K365-K369 WeakPolarHBondContact O-CB 3.45Å; K365-K369 PolarHBondContact O-N 2.81Å; E366-K369 WeakPolarHBondContact O-CB 3.25Å; E366-K369 PolarHBondContact O-N 2.89Å; A367-K369 PolarHBondContact O-N 3.38Å; K369-Q372 PolarHBondContact O-N 3.28Å; K369-V373 WeakPolarHBondContact O-CG2 3.27Å; K369-V373 PolarHBondContact O-N 3.36Å; K369-V373 VanDerWaalsContact O-N 3.09Å
370Q94.9Very high95Very high113 Ų113102.9 Ų102.953%0.52852%0.515SS..Hα-helixtrans-64.6-42.7175.1-70176.914.300111.3E366 A367 Q372 V373 L374E366-Q370 HydrophobicContact CG-CG 4.43Å; E366-Q370 WeakPolarHBondContact O-CG 3.21Å; E366-Q370 PolarHBondContact O-N 3.06Å; A367-Q370 PolarHBondContact O-N 2.93Å; Q370-Q372 PolarHBondContact O-N 3.34Å; Q370-V373 PolarHBondContact O-N 3.47Å; Q370-L374 WeakPolarHBondContact O-CG 3.35Å; Q370-L374 PolarHBondContact O-N 3.37Å
371A94.4Very high94.8Very high50 Ų50103 Ų10341%0.41351%0.51SS..Hα-helixtrans-61.8-41.6175.400000112.4A367 Q368 L374 M375A367-A371 WeakPolarHBondContact O-CB 3.44Å; A367-A371 PolarHBondContact O-N 3.45Å; Q368-A371 PolarHBondContact O-N 3.25Å; A371-L374 PolarHBondContact O-N 2.88Å; A371-M375 WeakPolarHBondContact O-CG 3.44Å; A371-M375 PolarHBondContact O-N 3.38Å
372Q94.3Very high94.7Very high109 Ų109104.7 Ų104.751%0.50951%0.51SS..Hα-helixtrans-61.2-47.7174.5-172.364.553.900111.4Q368 K369 Q370 L374 M375 D376Q368-Q372 PolarHBondContact O-N 3.33Å; K369-Q372 PolarHBondContact O-N 3.28Å; Q370-Q372 PolarHBondContact O-N 3.34Å; Q372-L374 VanDerWaalsContact C-N 3.29Å; Q372-L374 PolarHBondContact O-N 2.88Å; Q372-M375 WeakPolarHBondContact O-CB 3.44Å; Q372-M375 PolarHBondContact O-N 3.49Å; Q372-M375 VanDerWaalsContact O-N 3.1Å; Q372-D376 PolarHBondContact NE2-OD1 3.23Å; Q372-D376 PolarHBondContact O-N 2.94Å
373V95.9Very high94.6Very high66 Ų66105 Ų10540%0.451%0.505SS..Hα-helixtrans-60.4-37.8178.1170.50000111.9K369 Q370 Q377K369-V373 WeakPolarHBondContact O-CG2 3.27Å; K369-V373 PolarHBondContact O-N 3.36Å; K369-V373 VanDerWaalsContact O-N 3.09Å; Q370-V373 PolarHBondContact O-N 3.47Å; V373-Q377 WeakPolarHBondContact O-CB 3.48Å; V373-Q377 WeakPolarHBondContact O-CG 3.48Å; V373-Q377 PolarHBondContact O-N 3.21Å
374L95.6Very high94.4Very high106 Ų106103.9 Ų103.956%0.55550%0.497SS*.Hα-helixtrans-68.1-38.6174.7-71.6170.9000112.5Q370 A371 Q372 D378Q370-L374 WeakPolarHBondContact O-CG 3.35Å; Q370-L374 PolarHBondContact O-N 3.37Å; A371-L374 PolarHBondContact O-N 2.88Å; Q372-L374 VanDerWaalsContact C-N 3.29Å; Q372-L374 PolarHBondContact O-N 2.88Å; L374-D378 WeakPolarHBondContact O-CB 3.39Å; L374-D378 PolarHBondContact O-N 3.12Å
375M94.2Very high94.1Very high112 Ų112104.5 Ų104.555%0.55250%0.497SS*.Hα-helixtrans-64.3-46174.1-74.9-68.1-66.300111.6A371 Q372 Q377 D378 E379A371-M375 WeakPolarHBondContact O-CG 3.44Å; A371-M375 PolarHBondContact O-N 3.38Å; Q372-M375 WeakPolarHBondContact O-CB 3.44Å; Q372-M375 PolarHBondContact O-N 3.49Å; Q372-M375 VanDerWaalsContact O-N 3.1Å; M375-Q377 VanDerWaalsContact C-N 3.34Å; M375-Q377 PolarHBondContact O-N 3.38Å; M375-D378 PolarHBondContact O-N 2.91Å; M375-E379 PolarHBondContact O-N 2.94Å
376D94Very high93.9Very high76 Ų76103.8 Ų103.841%0.40650%0.496SS..Hα-helixtrans-61.1-43.6177.6-60.1-18000110.8Q372 D378 E379 Q380Q372-D376 PolarHBondContact NE2-OD1 3.23Å; Q372-D376 PolarHBondContact O-N 2.94Å; D376-D378 PolarHBondContact O-N 3.34Å; D376-E379 PolarHBondContact O-N 2.92Å; D376-Q380 VanDerWaalsContact O-CB 3.28Å; D376-Q380 WeakPolarHBondContact O-CB 3.35Å; D376-Q380 PolarHBondContact O-N 3.42Å
377Q93.2Very high93.8Very high97 Ų97102.9 Ų102.945%0.45349%0.491SS..Hα-helixtrans-66.1-33.1175.4-75.2175.212.800113.3V373 M375 R381V373-Q377 WeakPolarHBondContact O-CB 3.48Å; V373-Q377 WeakPolarHBondContact O-CG 3.48Å; V373-Q377 PolarHBondContact O-N 3.21Å; M375-Q377 VanDerWaalsContact C-N 3.34Å; M375-Q377 PolarHBondContact O-N 3.38Å; Q377-R381 WeakPolarHBondContact O-CB 3.41Å; Q377-R381 VanDerWaalsContact O-CG 3.29Å; Q377-R381 WeakPolarHBondContact O-CG 3.42Å; Q377-R381 PolarHBondContact O-N 3.43Å; Q377-R381 VanDerWaalsContact O-N 3.13Å; Q377-R381 PolarHBondContact O-NE 3.01Å
378D91.4Very high93.6Very high57 Ų57106.4 Ų106.431%0.30550%0.499SS..Hα-helixtrans-74.8-42.3175.7-168.575.2000112.2L374 M375 D376 R381 R382L374-D378 WeakPolarHBondContact O-CB 3.39Å; L374-D378 PolarHBondContact O-N 3.12Å; M375-D378 PolarHBondContact O-N 2.91Å; D376-D378 PolarHBondContact O-N 3.34Å; D378-R381 VanDerWaalsContact CA-NH2 3.34Å; D378-R381 PolarHBondContact O-N 3.42Å; D378-R381 IonicContact OD1-CZ 2.7Å; D378-R381 IonicContact OD1-NH2 2.77Å; D378-R381 PolarHBondContact OD1-NH2 3.45Å; D378-R382 PolarHBondContact O-N 3.33Å; D378-R382 IonicContact OD2-CZ 3.17Å; D378-R382 IonicContact OD2-NE 2.73Å; D378-R382 PolarHBondContact OD2-NE 3Å; D378-R382 IonicContact OD2-NH2 2.72Å; D378-R382 PolarHBondContact OD2-NH2 3.18Å
379E92.5Very high93.5Very high82 Ų82105 Ų10538%0.38350%0.495SS..Hα-helixtrans-62.8-43.9173.7-155.8-157.7159.200110.9M375 D376 R381 R382 R383M375-E379 PolarHBondContact O-N 2.94Å; D376-E379 PolarHBondContact O-N 2.92Å; E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 3.05Å; E379-R382 PolarHBondContact O-N 3.08Å; E379-R383 WeakPolarHBondContact O-CG 3.47Å; E379-R383 PolarHBondContact O-N 3.12Å; E379-R383 IonicContact OE1-CZ 2.66Å; E379-R383 IonicContact OE1-NE 2.65Å; E379-R383 PolarHBondContact OE1-NE 2.97Å; E379-R383 IonicContact OE1-NH2 3.02Å; E379-R383 PolarHBondContact OE1-NH2 2.55Å; E379-R383 IonicContact OE2-CZ 3.48Å; E379-R383 IonicContact OE2-NH2 4Å; E379-R383 PolarHBondContact OE2-NH2 2.7Å
380Q92.3Very high93.3Very high122 Ų122102.4 Ų102.457%0.5749%0.485SS*.Hα-helixtrans-65.4-34.6178.2-165.5166.619.100112.3D376 Q384D376-Q380 VanDerWaalsContact O-CB 3.28Å; D376-Q380 WeakPolarHBondContact O-CB 3.35Å; D376-Q380 PolarHBondContact O-N 3.42Å; Q380-Q384 WeakPolarHBondContact O-CB 3.33Å; Q380-Q384 VanDerWaalsContact O-CG 3.29Å; Q380-Q384 WeakPolarHBondContact O-CG 3.31Å; Q380-Q384 PolarHBondContact O-N 2.85Å
381R93.3Very high93.2Very high125 Ų125103.6 Ų103.647%0.47249%0.485SS..Hα-helixtrans-65.5-44.1170-80.1175.9-68.8154.95.1112Q377 D378 E379 R383 Q384 Q385Q377-R381 WeakPolarHBondContact O-CB 3.41Å; Q377-R381 VanDerWaalsContact O-CG 3.29Å; Q377-R381 WeakPolarHBondContact O-CG 3.42Å; Q377-R381 PolarHBondContact O-N 3.43Å; Q377-R381 VanDerWaalsContact O-N 3.13Å; Q377-R381 PolarHBondContact O-NE 3.01Å; D378-R381 VanDerWaalsContact CA-NH2 3.34Å; D378-R381 PolarHBondContact O-N 3.42Å; D378-R381 IonicContact OD1-CZ 2.7Å; D378-R381 IonicContact OD1-NH2 2.77Å; D378-R381 PolarHBondContact OD1-NH2 3.45Å; E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 3.05Å; R381-R383 PolarHBondContact O-N 3.25Å; R381-Q384 PolarHBondContact O-N 3.26Å; R381-Q385 WeakPolarHBondContact O-CB 3.33Å; R381-Q385 WeakPolarHBondContact O-CG 3.27Å; R381-Q385 PolarHBondContact O-N 3.24Å
382R92.9Very high93.2Very high130 Ų130104.7 Ų104.749%0.49149%0.487SS..Hα-helixtrans-62.3-40.8175.7-79-173.7-89.7145.7-6.4112.3D378 E379 Q385 H386D378-R382 PolarHBondContact O-N 3.33Å; D378-R382 IonicContact OD2-CZ 3.17Å; D378-R382 IonicContact OD2-NE 2.73Å; D378-R382 PolarHBondContact OD2-NE 3Å; D378-R382 IonicContact OD2-NH2 2.72Å; D378-R382 PolarHBondContact OD2-NH2 3.18Å; E379-R382 PolarHBondContact O-N 3.08Å; R382-Q385 PolarHBondContact O-N 2.94Å; R382-H386 WeakPolarHBondContact O-CB 3.29Å; R382-H386 PolarHBondContact O-N 2.91Å
383R93.4Very high93.1Very high143 Ų143104.6 Ų104.654%0.5449%0.489SS..Hα-helixtrans-61.2-48.7172.8-69.6175.7-174.4-169.58.4111.3E379 R381 Q385 H386 E387E379-R383 WeakPolarHBondContact O-CG 3.47Å; E379-R383 PolarHBondContact O-N 3.12Å; E379-R383 IonicContact OE1-CZ 2.66Å; E379-R383 IonicContact OE1-NE 2.65Å; E379-R383 PolarHBondContact OE1-NE 2.97Å; E379-R383 IonicContact OE1-NH2 3.02Å; E379-R383 PolarHBondContact OE1-NH2 2.55Å; E379-R383 IonicContact OE2-CZ 3.48Å; E379-R383 IonicContact OE2-NH2 4Å; E379-R383 PolarHBondContact OE2-NH2 2.7Å; R381-R383 PolarHBondContact O-N 3.25Å; R383-Q385 PolarHBondContact O-N 3.47Å; R383-H386 PolarHBondContact O-N 2.84Å; R383-E387 PolarHBondContact O-N 3.01Å
384Q92.8Very high92.9Very high100 Ų100106.5 Ų106.547%0.46749%0.494SS..Hα-helixtrans-60.5-41.3176.8-76174.1-3.700113Q380 R381 E387 Q388Q380-Q384 WeakPolarHBondContact O-CB 3.33Å; Q380-Q384 VanDerWaalsContact O-CG 3.29Å; Q380-Q384 WeakPolarHBondContact O-CG 3.31Å; Q380-Q384 PolarHBondContact O-N 2.85Å; R381-Q384 PolarHBondContact O-N 3.26Å; Q384-E387 PolarHBondContact O-N 2.97Å; Q384-Q388 WeakPolarHBondContact O-CB 3.35Å; Q384-Q388 WeakPolarHBondContact O-CG 3.26Å; Q384-Q388 PolarHBondContact O-N 3.18Å
385Q92.2Very high92.7Very high114 Ų114106 Ų10653%0.53349%0.49SS..Hα-helixtrans-63.2-41.8174.6-75.1173.3-15.900111.8R381 R382 R383 Q388 L389R381-Q385 WeakPolarHBondContact O-CB 3.33Å; R381-Q385 WeakPolarHBondContact O-CG 3.27Å; R381-Q385 PolarHBondContact O-N 3.24Å; R382-Q385 PolarHBondContact O-N 2.94Å; R383-Q385 PolarHBondContact O-N 3.47Å; Q385-Q388 PolarHBondContact O-N 3.13Å; Q385-L389 WeakPolarHBondContact O-CB 3.27Å; Q385-L389 WeakPolarHBondContact O-CG 3.46Å; Q385-L389 PolarHBondContact O-N 3.36Å
386H91.6Very high92.6Very high129 Ų129105.6 Ų105.660%0.59749%0.488SS*.Hα-helixtrans-65.6-43.6177.3-166.268.7000111.9R382 R383 Q388 L389 Q390R382-H386 WeakPolarHBondContact O-CB 3.29Å; R382-H386 PolarHBondContact O-N 2.91Å; R383-H386 PolarHBondContact O-N 2.84Å; H386-Q388 PolarHBondContact O-N 3.03Å; H386-L389 PolarHBondContact O-N 3.48Å; H386-Q390 WeakPolarHBondContact O-CB 3.37Å; H386-Q390 PolarHBondContact O-N 3.2Å
387E93.4Very high92.4Very high90 Ų90107.5 Ų107.542%0.42150%0.497SS..Hα-helixtrans-61.1-41172.9-74.5-177.6-135.200112.6R383 Q384 Q390 R391R383-E387 PolarHBondContact O-N 3.01Å; Q384-E387 PolarHBondContact O-N 2.97Å; E387-Q390 PolarHBondContact O-N 2.93Å; E387-R391 WeakPolarHBondContact O-CB 3.27Å; E387-R391 VanDerWaalsContact O-CG 3.23Å; E387-R391 WeakPolarHBondContact O-CG 3.28Å; E387-R391 PolarHBondContact O-N 3.47Å; E387-R391 IonicContact OE2-CZ 2.66Å; E387-R391 IonicContact OE2-NH2 2.68Å; E387-R391 PolarHBondContact OE2-NH2 3.24Å
388Q93.2Very high92.2Very high124 Ų124111 Ų11158%0.57951%0.506SS*.Hα-helixtrans-64.7-46.5176.7-77.5177-9.900111.4Q384 Q385 H386 Q390 R391 T392Q384-Q388 WeakPolarHBondContact O-CB 3.35Å; Q384-Q388 WeakPolarHBondContact O-CG 3.26Å; Q384-Q388 PolarHBondContact O-N 3.18Å; Q385-Q388 PolarHBondContact O-N 3.13Å; H386-Q388 PolarHBondContact O-N 3.03Å; Q388-Q390 PolarHBondContact O-N 3.21Å; Q388-R391 PolarHBondContact O-N 2.94Å; Q388-T392 PolarHBondContact O-N 3.24Å; Q388-T392 PolarHBondContact O-OG1 3.3Å; Q388-T392 VanDerWaalsContact O-OG1 3.08Å
389L92.9Very high92.1Very high109 Ų109114 Ų11457%0.57152%0.518SS*.Hα-helixtrans-58.1-46.7174.5-80.6162.1000111.7Q385 H386 T392 L393Q385-L389 WeakPolarHBondContact O-CB 3.27Å; Q385-L389 WeakPolarHBondContact O-CG 3.46Å; Q385-L389 PolarHBondContact O-N 3.36Å; H386-L389 PolarHBondContact O-N 3.48Å; L389-T392 PolarHBondContact O-N 3.45Å; L389-L393 WeakPolarHBondContact O-CG 3.33Å; L389-L393 PolarHBondContact O-N 2.98Å
390Q91.3Very high91.9Very high96 Ų96113 Ų11345%0.44952%0.524SS..Hα-helixtrans-59.9-49.6177.7-176.7-178-23.300111.4H386 E387 Q388 T392 L393 E394H386-Q390 WeakPolarHBondContact O-CB 3.37Å; H386-Q390 PolarHBondContact O-N 3.2Å; E387-Q390 PolarHBondContact O-N 2.93Å; Q388-Q390 PolarHBondContact O-N 3.21Å; Q390-T392 VanDerWaalsContact C-N 3.31Å; Q390-T392 PolarHBondContact O-N 2.87Å; Q390-L393 PolarHBondContact O-N 3.45Å; Q390-L393 VanDerWaalsContact O-N 3.16Å; Q390-E394 HydrophobicContact CG-CG 4.44Å; Q390-E394 WeakPolarHBondContact CG-OE1 3.26Å; Q390-E394 PolarHBondContact NE2-OE1 3.3Å; Q390-E394 WeakPolarHBondContact O-CG 3.18Å; Q390-E394 PolarHBondContact O-N 2.86Å
391R93.1Very high91.6Very high138 Ų138111.4 Ų111.452%0.52152%0.517SS..Hα-helixtrans-61.6-37.4178.2-68175.2-143.7-176.54.6112.3E387 Q388 E394 I395E387-R391 WeakPolarHBondContact O-CB 3.27Å; E387-R391 VanDerWaalsContact O-CG 3.23Å; E387-R391 WeakPolarHBondContact O-CG 3.28Å; E387-R391 PolarHBondContact O-N 3.47Å; E387-R391 IonicContact OE2-CZ 2.66Å; E387-R391 IonicContact OE2-NH2 2.68Å; E387-R391 PolarHBondContact OE2-NH2 3.24Å; Q388-R391 PolarHBondContact O-N 2.94Å; R391-E394 PolarHBondContact O-N 3.4Å; R391-I395 WeakPolarHBondContact O-CD1 3.42Å; R391-I395 VanDerWaalsContact O-CG1 3.26Å; R391-I395 WeakPolarHBondContact O-CG1 3.39Å; R391-I395 PolarHBondContact O-N 3.07Å
392T92.6Very high91.4Very high73 Ų73111.3 Ų111.345%0.44852%0.521SS..Hα-helixtrans-65.8-41.1175-62.70000111.7Q388 L389 Q390 I395 Q396Q388-T392 PolarHBondContact O-N 3.24Å; Q388-T392 PolarHBondContact O-OG1 3.3Å; Q388-T392 VanDerWaalsContact O-OG1 3.08Å; L389-T392 PolarHBondContact O-N 3.45Å; Q390-T392 VanDerWaalsContact C-N 3.31Å; Q390-T392 PolarHBondContact O-N 2.87Å; T392-I395 PolarHBondContact O-N 3.36Å; T392-Q396 WeakPolarHBondContact O-CB 3.39Å; T392-Q396 WeakPolarHBondContact O-CG 3.2Å; T392-Q396 PolarHBondContact O-N 2.78Å
393L92.6Very high91.2Very high108 Ų108107.9 Ų107.957%0.56552%0.521SS*.Hα-helixtrans-66.7-39.1175-70.3167.7000112.1L389 Q390 Q396 L397L389-L393 WeakPolarHBondContact O-CG 3.33Å; L389-L393 PolarHBondContact O-N 2.98Å; Q390-L393 PolarHBondContact O-N 3.45Å; Q390-L393 VanDerWaalsContact O-N 3.16Å; L393-Q396 PolarHBondContact O-N 2.89Å; L393-L397 VanDerWaalsContact O-CB 3.23Å; L393-L397 WeakPolarHBondContact O-CB 3.43Å; L393-L397 PolarHBondContact O-N 2.89Å
394E91.9Very high90.9Very high106 Ų106106.4 Ų106.450%0.49552%0.515SS..Hα-helixtrans-62.7-40.5174.4-73.9170-177.400112.2Q390 R391 R398Q390-E394 HydrophobicContact CG-CG 4.44Å; Q390-E394 WeakPolarHBondContact CG-OE1 3.26Å; Q390-E394 PolarHBondContact NE2-OE1 3.3Å; Q390-E394 WeakPolarHBondContact O-CG 3.18Å; Q390-E394 PolarHBondContact O-N 2.86Å; R391-E394 PolarHBondContact O-N 3.4Å; E394-R398 PolarHBondContact O-N 3.5Å; E394-R398 VanDerWaalsContact O-N 3.08Å
395I92.6Very high90.7Very high94 Ų94105.5 Ų105.548%0.48252%0.517SS..Hα-helixtrans-64.7-51.8173.6-69.3164.3000110.4R391 T392 L397 R398 E399R391-I395 WeakPolarHBondContact O-CD1 3.42Å; R391-I395 VanDerWaalsContact O-CG1 3.26Å; R391-I395 WeakPolarHBondContact O-CG1 3.39Å; R391-I395 PolarHBondContact O-N 3.07Å; T392-I395 PolarHBondContact O-N 3.36Å; I395-L397 VanDerWaalsContact C-N 3.28Å; I395-L397 PolarHBondContact O-N 2.82Å; I395-R398 PolarHBondContact O-N 3.03Å; I395-R398 VanDerWaalsContact O-N 3.14Å; I395-E399 HydrophobicContact CG2-CG 4.33Å; I395-E399 WeakPolarHBondContact O-CG 3.34Å; I395-E399 PolarHBondContact O-N 3.37Å
396Q90.3Very high90.5Very high105 Ų105103.9 Ų103.949%0.49152%0.518SS..Hα-helixtrans-60.5-36.1179.7-75177.8-14.800112.8T392 L393 A400T392-Q396 WeakPolarHBondContact O-CB 3.39Å; T392-Q396 WeakPolarHBondContact O-CG 3.2Å; T392-Q396 PolarHBondContact O-N 2.78Å; L393-Q396 PolarHBondContact O-N 2.89Å; Q396-A400 VanDerWaalsContact O-CB 3.25Å; Q396-A400 WeakPolarHBondContact O-CB 3.38Å; Q396-A400 PolarHBondContact O-N 3.37Å
397L89.8Confident90.2Very high115 Ų115103.3 Ų103.360%0.60252%0.517SS*.Hα-helixtrans-69.9-39.3177.1-170.1149.6000111.3L393 I395 E401L393-L397 VanDerWaalsContact O-CB 3.23Å; L393-L397 WeakPolarHBondContact O-CB 3.43Å; L393-L397 PolarHBondContact O-N 2.89Å; I395-L397 VanDerWaalsContact C-N 3.28Å; I395-L397 PolarHBondContact O-N 2.82Å; L397-E401 WeakPolarHBondContact O-CB 3.24Å; L397-E401 PolarHBondContact O-N 3.42Å
398R90.6Very high89.7Confident172 Ų172104.5 Ų104.565%0.64952%0.522SS*.Hα-helixtrans-63.5-48.2171.2175.1175.6-72.6161.7-1.3111.6E394 I395 A400 E401 E402E394-R398 PolarHBondContact O-N 3.5Å; E394-R398 VanDerWaalsContact O-N 3.08Å; I395-R398 PolarHBondContact O-N 3.03Å; I395-R398 VanDerWaalsContact O-N 3.14Å; R398-A400 VanDerWaalsContact C-N 3.3Å; R398-A400 PolarHBondContact O-N 3.08Å; R398-E401 PolarHBondContact O-N 2.55Å; R398-E401 VanDerWaalsContact O-N 3.14Å; R398-E402 WeakPolarHBondContact CD-OE1 3.19Å; R398-E402 HydrophobicContact CG-CG 4.29Å; R398-E402 WeakPolarHBondContact CG-OE1 3.48Å; R398-E402 WeakPolarHBondContact O-CB 3.11Å; R398-E402 WeakPolarHBondContact O-CG 3.41Å; R398-E402 PolarHBondContact O-N 3.04Å
399E89.8Confident89.3Confident118 Ų118101.2 Ų101.255%0.55152%0.516SS*.Hα-helixtrans-58.5-42.3177.8-71.8173.8165.300111.5I395 A403I395-E399 HydrophobicContact CG2-CG 4.33Å; I395-E399 WeakPolarHBondContact O-CG 3.34Å; I395-E399 PolarHBondContact O-N 3.37Å; E399-A403 VanDerWaalsContact O-CB 3.26Å; E399-A403 WeakPolarHBondContact O-CB 3.46Å; E399-A403 PolarHBondContact O-N 3.19Å
400A87.3Confident88.9Confident62 Ų62101.9 Ų101.951%0.51252%0.516SS..Hα-helixtrans-67.6-35175.800000113.1Q396 R398 R404Q396-A400 VanDerWaalsContact O-CB 3.25Å; Q396-A400 WeakPolarHBondContact O-CB 3.38Å; Q396-A400 PolarHBondContact O-N 3.37Å; R398-A400 VanDerWaalsContact C-N 3.3Å; R398-A400 PolarHBondContact O-N 3.08Å; A400-R404 WeakPolarHBondContact O-CB 3.41Å; A400-R404 PolarHBondContact O-N 3.43Å
401E86.9Confident88.3Confident89 Ų89103.3 Ų103.342%0.41653%0.525SS..Hα-helixtrans-73.8-40.5176.6-173.1141.5-108.400112.1L397 R398 R404 V405L397-E401 WeakPolarHBondContact O-CB 3.24Å; L397-E401 PolarHBondContact O-N 3.42Å; R398-E401 PolarHBondContact O-N 2.55Å; R398-E401 VanDerWaalsContact O-N 3.14Å; E401-R404 PolarHBondContact O-N 3.3Å; E401-R404 IonicContact OE1-CZ 3.47Å; E401-R404 IonicContact OE1-NH1 3.17Å; E401-R404 PolarHBondContact OE1-NH1 2.69Å; E401-R404 IonicContact OE1-NH2 2.86Å; E401-R404 PolarHBondContact OE1-NH2 3.21Å; E401-V405 WeakPolarHBondContact O-CG2 3.21Å; E401-V405 PolarHBondContact O-N 3.38Å
402E88.3Confident88Confident122 Ų12299.4 Ų99.457%0.5752%0.522SS*.Hα-helixtrans-62.1-43.6171.4-72.6176-16300111.3R398 R404 V405 S406R398-E402 WeakPolarHBondContact CD-OE1 3.19Å; R398-E402 HydrophobicContact CG-CG 4.29Å; R398-E402 WeakPolarHBondContact CG-OE1 3.48Å; R398-E402 WeakPolarHBondContact O-CB 3.11Å; R398-E402 WeakPolarHBondContact O-CG 3.41Å; R398-E402 PolarHBondContact O-N 3.04Å; E402-R404 PolarHBondContact O-N 3.27Å; E402-V405 PolarHBondContact O-N 3.46Å; E402-S406 WeakPolarHBondContact O-CB 3.15Å; E402-S406 PolarHBondContact O-N 3.12Å
403A87.8Confident87.6Confident58 Ų58101 Ų10148%0.47953%0.528SS..Hα-helixtrans-62.4-40.2173.200000112.4E399 S406 M407E399-A403 VanDerWaalsContact O-CB 3.26Å; E399-A403 WeakPolarHBondContact O-CB 3.46Å; E399-A403 PolarHBondContact O-N 3.19Å; A403-S406 PolarHBondContact O-N 2.83Å; A403-M407 WeakPolarHBondContact O-CB 3.15Å; A403-M407 PolarHBondContact O-N 2.68Å
404R88.2Confident87.1Confident113 Ų113100.7 Ų100.743%0.42652%0.522SS..Hα-helixtrans-63.3-42.8175.4-168.5-171.974.7-139.6-5.5111.6A400 E401 E402 M407 Q408A400-R404 WeakPolarHBondContact O-CB 3.41Å; A400-R404 PolarHBondContact O-N 3.43Å; E401-R404 PolarHBondContact O-N 3.3Å; E401-R404 IonicContact OE1-CZ 3.47Å; E401-R404 IonicContact OE1-NH1 3.17Å; E401-R404 PolarHBondContact OE1-NH1 2.69Å; E401-R404 IonicContact OE1-NH2 2.86Å; E401-R404 PolarHBondContact OE1-NH2 3.21Å; E402-R404 PolarHBondContact O-N 3.27Å; R404-M407 PolarHBondContact O-N 2.66Å; R404-Q408 WeakPolarHBondContact O-CB 3.25Å; R404-Q408 VanDerWaalsContact O-CG 3.27Å; R404-Q408 WeakPolarHBondContact O-CG 3.41Å; R404-Q408 PolarHBondContact O-N 2.83Å
405V88.8Confident86.5Confident81 Ų81101.6 Ų101.649%0.49153%0.526SS..Hα-helixtrans-65.8-42.5176.8169.80000111.2E401 E402 Q408 A409E401-V405 WeakPolarHBondContact O-CG2 3.21Å; E401-V405 PolarHBondContact O-N 3.38Å; E402-V405 PolarHBondContact O-N 3.46Å; V405-Q408 PolarHBondContact O-N 2.8Å; V405-A409 PolarHBondContact O-N 3.44Å
406S88.4Confident86.2Confident80 Ų80101.4 Ų101.456%0.55952%0.523SS*.Hα-helixtrans-59.6-48.6174.9-172.90000111.8E402 A403 Q408 A409 E410E402-S406 WeakPolarHBondContact O-CB 3.15Å; E402-S406 PolarHBondContact O-N 3.12Å; A403-S406 PolarHBondContact O-N 2.83Å; S406-Q408 VanDerWaalsContact C-N 3.34Å; S406-Q408 PolarHBondContact O-N 2.95Å; S406-A409 WeakPolarHBondContact O-CB 3.48Å; S406-A409 PolarHBondContact O-N 3.01Å; S406-A409 VanDerWaalsContact O-N 3.16Å; S406-E410 PolarHBondContact O-N 3.21Å
407M84.8Confident85.8Confident117 Ų117100.2 Ų100.258%0.57652%0.517SS*.Hα-helixtrans-64.5-35.4177-173.917462.400112.5A403 R404 E410 M411A403-M407 WeakPolarHBondContact O-CB 3.15Å; A403-M407 PolarHBondContact O-N 2.68Å; R404-M407 PolarHBondContact O-N 2.66Å; M407-E410 PolarHBondContact O-N 2.65Å; M407-M411 WeakPolarHBondContact O-CB 3.28Å; M407-M411 VanDerWaalsContact O-CG 3.24Å; M407-M411 WeakPolarHBondContact O-CG 3.46Å; M407-M411 PolarHBondContact O-N 3.16Å
408Q83.5Confident85.3Confident114 Ų11496 Ų9653%0.53350%0.499SS..Hα-helixtrans-64.2-39172.8-79.2175.2-32.200112.2R404 V405 S406 A412R404-Q408 WeakPolarHBondContact O-CB 3.25Å; R404-Q408 VanDerWaalsContact O-CG 3.27Å; R404-Q408 WeakPolarHBondContact O-CG 3.41Å; R404-Q408 PolarHBondContact O-N 2.83Å; V405-Q408 PolarHBondContact O-N 2.8Å; S406-Q408 VanDerWaalsContact C-N 3.34Å; S406-Q408 PolarHBondContact O-N 2.95Å; Q408-A412 WeakPolarHBondContact O-CB 3.26Å; Q408-A412 PolarHBondContact O-N 2.93Å
409A83.9Confident85Confident55 Ų5591.9 Ų91.946%0.45549%0.487SS..Hα-helixtrans-67.6-40.9175.700000112.4V405 S406 A412 L413V405-A409 PolarHBondContact O-N 3.44Å; S406-A409 WeakPolarHBondContact O-CB 3.48Å; S406-A409 PolarHBondContact O-N 3.01Å; S406-A409 VanDerWaalsContact O-N 3.16Å; A409-A412 PolarHBondContact O-N 3.48Å; A409-L413 WeakPolarHBondContact O-CG 3.33Å; A409-L413 PolarHBondContact O-N 2.94Å; A409-L413 VanDerWaalsContact O-N 3.15Å
410E85.1Confident84.7Confident123 Ų12392.8 Ų92.858%0.57549%0.486SS*.Hα-helixtrans-64-44.4174.5-173.4176.5-175.500111.9S406 M407 A412 L413 K414S406-E410 PolarHBondContact O-N 3.21Å; M407-E410 PolarHBondContact O-N 2.65Å; E410-A412 VanDerWaalsContact C-N 3.34Å; E410-A412 PolarHBondContact O-N 3.04Å; E410-L413 PolarHBondContact O-N 3.41Å; E410-K414 WeakPolarHBondContact O-CG 3.42Å; E410-K414 PolarHBondContact O-N 2.98Å
411M79Confident84.5Confident126 Ų12695.9 Ų95.962%0.62149%0.489SS*.Hα-helixtrans-60.2-41175.9-75.6-66-62.100112.3M407 K414 E415M407-M411 WeakPolarHBondContact O-CB 3.28Å; M407-M411 VanDerWaalsContact O-CG 3.24Å; M407-M411 WeakPolarHBondContact O-CG 3.46Å; M407-M411 PolarHBondContact O-N 3.16Å; M411-K414 PolarHBondContact O-N 2.92Å; M411-E415 WeakPolarHBondContact O-CB 3.46Å; M411-E415 PolarHBondContact O-N 3.16Å
412A85Confident84.3Confident57 Ų5797.7 Ų97.747%0.47149%0.492SS..Hα-helixtrans-64.2-40.1176.800000112.6Q408 A409 E410 K414 E415 E416Q408-A412 WeakPolarHBondContact O-CB 3.26Å; Q408-A412 PolarHBondContact O-N 2.93Å; A409-A412 PolarHBondContact O-N 3.48Å; E410-A412 VanDerWaalsContact C-N 3.34Å; E410-A412 PolarHBondContact O-N 3.04Å; A412-K414 VanDerWaalsContact C-N 3.35Å; A412-E415 PolarHBondContact O-N 2.81Å; A412-E416 PolarHBondContact O-N 2.84Å
413L86Confident84.1Confident107 Ų10797.2 Ų97.256%0.5649%0.488SS*.Hα-helixtrans-63.4-40.6173.7-70.6169.2000111.7A409 E410 E416 E417A409-L413 WeakPolarHBondContact O-CG 3.33Å; A409-L413 PolarHBondContact O-N 2.94Å; A409-L413 VanDerWaalsContact O-N 3.15Å; E410-L413 PolarHBondContact O-N 3.41Å; L413-E416 PolarHBondContact O-N 2.7Å; L413-E417 WeakPolarHBondContact O-CG 3.09Å; L413-E417 PolarHBondContact O-N 2.77Å
414K82.1Confident83.8Confident101 Ų101101.1 Ų101.144%0.43949%0.491SS..Hα-helixtrans-68.4-34.1176.6-71-76.9161-110.60112.6E410 M411 A412 E417 A418E410-K414 WeakPolarHBondContact O-CG 3.42Å; E410-K414 PolarHBondContact O-N 2.98Å; M411-K414 PolarHBondContact O-N 2.92Å; A412-K414 VanDerWaalsContact C-N 3.35Å; K414-E417 IonicContact NZ-OE1 2.62Å; K414-E417 PolarHBondContact NZ-OE1 3.33Å; K414-E417 IonicContact NZ-OE2 2.7Å; K414-E417 PolarHBondContact NZ-OE2 3.19Å; K414-A418 WeakPolarHBondContact O-CB 3.37Å; K414-A418 PolarHBondContact O-N 3.08Å
415E79.4Confident83.4Confident124 Ų124100.1 Ų100.158%0.57949%0.493SS*.Hα-helixtrans-67.9-39.6173.1-176.3158.6-136.300112.1M411 A412 A418 E419M411-E415 WeakPolarHBondContact O-CB 3.46Å; M411-E415 PolarHBondContact O-N 3.16Å; A412-E415 PolarHBondContact O-N 2.81Å; E415-A418 PolarHBondContact O-N 3.05Å; E415-E419 PolarHBondContact O-N 2.82Å
416E84.6Confident83Confident91 Ų91101.7 Ų101.743%0.42550%0.495SS..Hα-helixtrans-67.7-39.9175.4-153.3-154.9169.300112.4A412 L413 A418 E419 R420A412-E416 PolarHBondContact O-N 2.84Å; L413-E416 PolarHBondContact O-N 2.7Å; E416-A418 VanDerWaalsContact C-N 3.35Å; E416-E419 PolarHBondContact O-N 3.21Å; E416-R420 VanDerWaalsContact O-CG 3.31Å; E416-R420 WeakPolarHBondContact O-CG 3.48Å; E416-R420 PolarHBondContact O-N 3.22Å; E416-R420 VanDerWaalsContact O-N 3.08Å; E416-R420 IonicContact OE1-CZ 3.6Å; E416-R420 IonicContact OE1-NE 2.84Å; E416-R420 IonicContact OE1-NH2 2.63Å; E416-R420 PolarHBondContact OE1-NH2 3.24Å; E416-R420 IonicContact OE2-CZ 2.85Å; E416-R420 IonicContact OE2-NH1 3.26Å; E416-R420 IonicContact OE2-NH2 3.81Å; E416-R420 PolarHBondContact OE2-NH2 3.4Å
417E82.2Confident82.8Confident80 Ų80102.8 Ų102.837%0.37449%0.491SS..Hα-helixtrans-58.1-46169.5-76.6177-172.700111.6L413 K414 E419 R420 Q421L413-E417 WeakPolarHBondContact O-CG 3.09Å; L413-E417 PolarHBondContact O-N 2.77Å; K414-E417 IonicContact NZ-OE1 2.62Å; K414-E417 PolarHBondContact NZ-OE1 3.33Å; K414-E417 IonicContact NZ-OE2 2.7Å; K414-E417 PolarHBondContact NZ-OE2 3.19Å; E417-E419 PolarHBondContact O-N 2.68Å; E417-R420 PolarHBondContact O-N 2.97Å; E417-Q421 WeakPolarHBondContact O-CG 3.46Å; E417-Q421 PolarHBondContact O-N 3.15Å; E417-Q421 VanDerWaalsContact O-N 3.07Å
418A79.7Confident82.6Confident27 Ų27101.4 Ų101.422%0.22349%0.486CS..Hα-helixtrans-65.9-35.417800000112.5K414 E415 E416 Q421 R422K414-A418 WeakPolarHBondContact O-CB 3.37Å; K414-A418 PolarHBondContact O-N 3.08Å; E415-A418 PolarHBondContact O-N 3.05Å; E416-A418 VanDerWaalsContact C-N 3.35Å; A418-Q421 PolarHBondContact O-N 3.04Å; A418-R422 WeakPolarHBondContact O-CB 3.42Å; A418-R422 VanDerWaalsContact O-CG 3.31Å; A418-R422 WeakPolarHBondContact O-CG 3.47Å; A418-R422 PolarHBondContact O-N 3.43Å
419E84.2Confident82.5Confident84 Ų84101.5 Ų101.539%0.39349%0.486SS..Hα-helixtrans-62.3-44.2171.6-86.4-144.8169.600112.9E415 E416 E417 Q421 R422 K423E415-E419 PolarHBondContact O-N 2.82Å; E416-E419 PolarHBondContact O-N 3.21Å; E417-E419 PolarHBondContact O-N 2.68Å; E419-Q421 VanDerWaalsContact C-N 3.28Å; E419-Q421 PolarHBondContact O-N 3.21Å; E419-R422 PolarHBondContact O-N 2.93Å; E419-K423 WeakPolarHBondContact O-CG 3.37Å; E419-K423 PolarHBondContact O-N 2.94Å; E419-K423 WeakPolarHBondContact OE2-CE 3.21Å; E419-K423 IonicContact OE2-NZ 3.32Å; E419-K423 PolarHBondContact OE2-NZ 3.19Å
420R84.3Confident82.6Confident138 Ų138103.5 Ų103.552%0.52149%0.486SS..Hα-helixtrans-61.4-39.9177.4-67163.2-177.3157.5-3.4110.6E416 E417 R424E416-R420 VanDerWaalsContact O-CG 3.31Å; E416-R420 WeakPolarHBondContact O-CG 3.48Å; E416-R420 PolarHBondContact O-N 3.22Å; E416-R420 VanDerWaalsContact O-N 3.08Å; E416-R420 IonicContact OE1-CZ 3.6Å; E416-R420 IonicContact OE1-NE 2.84Å; E416-R420 IonicContact OE1-NH2 2.63Å; E416-R420 PolarHBondContact OE1-NH2 3.24Å; E416-R420 IonicContact OE2-CZ 2.85Å; E416-R420 IonicContact OE2-NH1 3.26Å; E416-R420 IonicContact OE2-NH2 3.81Å; E416-R420 PolarHBondContact OE2-NH2 3.4Å; E417-R420 PolarHBondContact O-N 2.97Å; R420-R424 PolarHBondContact O-N 2.84Å; R420-R424 VanDerWaalsContact O-N 3.15Å
421Q81.4Confident82.2Confident126 Ų126102.9 Ų102.959%0.58948%0.484SS*.Hα-helixtrans-65.9-45.9173.6-68.7175.85.100112.4E417 A418 E419 K423 R424 I425E417-Q421 WeakPolarHBondContact O-CG 3.46Å; E417-Q421 PolarHBondContact O-N 3.15Å; E417-Q421 VanDerWaalsContact O-N 3.07Å; A418-Q421 PolarHBondContact O-N 3.04Å; E419-Q421 VanDerWaalsContact C-N 3.28Å; E419-Q421 PolarHBondContact O-N 3.21Å; Q421-K423 PolarHBondContact O-N 2.93Å; Q421-R424 PolarHBondContact O-N 2.99Å; Q421-R424 VanDerWaalsContact O-N 3.17Å; Q421-I425 WeakPolarHBondContact O-CG1 3.46Å; Q421-I425 PolarHBondContact O-N 3.12Å
422R83.3Confident82.2Confident128 Ų128102.1 Ų102.148%0.48348%0.48SS..Hα-helixtrans-57.5-46.9176.5-76.5-176.4-71.1-106.78.5112.1A418 E419 R424 I425 Q426A418-R422 WeakPolarHBondContact O-CB 3.42Å; A418-R422 VanDerWaalsContact O-CG 3.31Å; A418-R422 WeakPolarHBondContact O-CG 3.47Å; A418-R422 PolarHBondContact O-N 3.43Å; E419-R422 PolarHBondContact O-N 2.93Å; R422-R424 VanDerWaalsContact C-N 3.32Å; R422-R424 PolarHBondContact O-N 2.9Å; R422-I425 PolarHBondContact O-N 2.78Å; R422-Q426 PolarHBondContact O-N 2.62Å
423K83.8Confident82.1Confident111 Ų111105.2 Ų105.248%0.48348%0.482SS..Hα-helixtrans-59.9-41.4176.3-70.8163.8-169.7163.50111.4E419 Q421 I425 Q426 E427E419-K423 WeakPolarHBondContact O-CG 3.37Å; E419-K423 PolarHBondContact O-N 2.94Å; E419-K423 WeakPolarHBondContact OE2-CE 3.21Å; E419-K423 IonicContact OE2-NZ 3.32Å; E419-K423 PolarHBondContact OE2-NZ 3.19Å; Q421-K423 PolarHBondContact O-N 2.93Å; K423-I425 PolarHBondContact O-N 2.99Å; K423-Q426 PolarHBondContact O-N 2.82Å; K423-E427 WeakPolarHBondContact O-CG 3.27Å; K423-E427 PolarHBondContact O-N 3.26Å
424R82.1Confident81.8Confident140 Ų140107.5 Ų107.553%0.52848%0.483SS..Hα-helixtrans-68-32.6177.2-174.453.6176.4178.32.6113.8R420 Q421 R422 E427 L428R420-R424 PolarHBondContact O-N 2.84Å; R420-R424 VanDerWaalsContact O-N 3.15Å; Q421-R424 PolarHBondContact O-N 2.99Å; Q421-R424 VanDerWaalsContact O-N 3.17Å; R422-R424 VanDerWaalsContact C-N 3.32Å; R422-R424 PolarHBondContact O-N 2.9Å; R424-E427 WeakPolarHBondContact CD-OE2 3.39Å; R424-E427 IonicContact CZ-OE2 2.82Å; R424-E427 IonicContact NE-OE2 3.19Å; R424-E427 IonicContact NH1-OE2 2.73Å; R424-E427 PolarHBondContact NH1-OE2 3.23Å; R424-L428 WeakPolarHBondContact O-CD1 3.33Å; R424-L428 WeakPolarHBondContact O-CG 3.26Å; R424-L428 PolarHBondContact O-N 2.91Å
425I80.8Confident81.5Confident92 Ų92108.4 Ų108.447%0.47249%0.492SS..Hα-helixtrans-66.4-47172.6-68.3163.5000109.6Q421 R422 K423 E427 L428 E429Q421-I425 WeakPolarHBondContact O-CG1 3.46Å; Q421-I425 PolarHBondContact O-N 3.12Å; R422-I425 PolarHBondContact O-N 2.78Å; K423-I425 PolarHBondContact O-N 2.99Å; I425-E427 VanDerWaalsContact C-N 3.33Å; I425-E427 PolarHBondContact O-N 2.84Å; I425-L428 WeakPolarHBondContact O-CA 3.42Å; I425-L428 WeakPolarHBondContact O-CB 3.27Å; I425-L428 PolarHBondContact O-N 3.41Å; I425-E429 HydrophobicContact CG2-CG 4.25Å; I425-E429 WeakPolarHBondContact O-CG 3.47Å; I425-E429 PolarHBondContact O-N 2.89Å
426Q79.7Confident81.5Confident115 Ų115106.7 Ų106.754%0.53748%0.484SS..Hα-helixtrans-60.2-38.7179.5-168175.72.900113.1R422 K423 L428 E429 E430R422-Q426 PolarHBondContact O-N 2.62Å; K423-Q426 PolarHBondContact O-N 2.82Å; Q426-L428 VanDerWaalsContact C-N 3.29Å; Q426-L428 PolarHBondContact O-N 3.09Å; Q426-E429 PolarHBondContact O-N 3.22Å; Q426-E430 PolarHBondContact O-N 2.86Å
427E83.4Confident81.4Confident103 Ų103106.2 Ų106.248%0.48148%0.482SS..Hα-helixtrans-59.3-37.1171.5-73.8175.1173.400113.2K423 R424 I425 M431K423-E427 WeakPolarHBondContact O-CG 3.27Å; K423-E427 PolarHBondContact O-N 3.26Å; R424-E427 WeakPolarHBondContact CD-OE2 3.39Å; R424-E427 IonicContact CZ-OE2 2.82Å; R424-E427 IonicContact NE-OE2 3.19Å; R424-E427 IonicContact NH1-OE2 2.73Å; R424-E427 PolarHBondContact NH1-OE2 3.23Å; I425-E427 VanDerWaalsContact C-N 3.33Å; I425-E427 PolarHBondContact O-N 2.84Å; E427-M431 PolarHBondContact O-N 3.32Å
428L80.8Confident81.2Confident87 Ų87104.9 Ų104.946%0.45549%0.485SS..Hα-helixtrans-77.7-38-179.8-67.5167.5000111.4R424 I425 Q426 M431 Q432R424-L428 WeakPolarHBondContact O-CD1 3.33Å; R424-L428 WeakPolarHBondContact O-CG 3.26Å; R424-L428 PolarHBondContact O-N 2.91Å; I425-L428 WeakPolarHBondContact O-CA 3.42Å; I425-L428 WeakPolarHBondContact O-CB 3.27Å; I425-L428 PolarHBondContact O-N 3.41Å; Q426-L428 VanDerWaalsContact C-N 3.29Å; Q426-L428 PolarHBondContact O-N 3.09Å; L428-M431 PolarHBondContact O-N 3.39Å; L428-Q432 PolarHBondContact O-N 2.93Å
429E82.3Confident81.1Confident117 Ų117108.6 Ų108.655%0.54750%0.5SS..Hα-helixtrans-62.9-42.9173.6-70174.116500111.7I425 Q426 M431 Q432 K433I425-E429 HydrophobicContact CG2-CG 4.25Å; I425-E429 WeakPolarHBondContact O-CG 3.47Å; I425-E429 PolarHBondContact O-N 2.89Å; Q426-E429 PolarHBondContact O-N 3.22Å; E429-M431 VanDerWaalsContact C-N 3.32Å; E429-M431 PolarHBondContact O-N 3.49Å; E429-Q432 PolarHBondContact O-N 2.91Å; E429-K433 PolarHBondContact O-N 3.47Å
430E84.9Confident80.8Confident97 Ų97110.7 Ų110.745%0.45351%0.51SS..Hα-helixtrans-62.3-38.3172.2-83.7-159.5-148.800112.7Q426 R434Q426-E430 PolarHBondContact O-N 2.86Å; E430-R434 VanDerWaalsContact O-CG 3.3Å; E430-R434 WeakPolarHBondContact O-CG 3.42Å; E430-R434 PolarHBondContact O-N 3.44Å; E430-R434 IonicContact OE2-CZ 3.23Å; E430-R434 IonicContact OE2-NH2 3.5Å; E430-R434 PolarHBondContact OE2-NH2 2.87Å
431M78.1Confident80.5Confident109 Ų109110.7 Ų110.754%0.53752%0.516SS..Hα-helixtrans-67.5-42.5177.3-169.7-178.3-58.700111.6E427 L428 E429 R434 L435E427-M431 PolarHBondContact O-N 3.32Å; L428-M431 PolarHBondContact O-N 3.39Å; E429-M431 VanDerWaalsContact C-N 3.32Å; E429-M431 PolarHBondContact O-N 3.49Å; M431-R434 PolarHBondContact O-N 2.84Å; M431-L435 WeakPolarHBondContact O-CG 3.41Å; M431-L435 PolarHBondContact O-N 2.86Å
432Q77.9Confident80.2Confident111 Ų111110.5 Ų110.552%0.51952%0.515SS..Hα-helixtrans-60.3-47.7174.3179178.3-22.800111.1L428 E429 R434 L435 E436L428-Q432 PolarHBondContact O-N 2.93Å; E429-Q432 PolarHBondContact O-N 2.91Å; Q432-R434 VanDerWaalsContact C-N 3.3Å; Q432-R434 PolarHBondContact O-N 3.24Å; Q432-L435 WeakPolarHBondContact O-CA 3.24Å; Q432-L435 WeakPolarHBondContact O-CB 3.25Å; Q432-L435 PolarHBondContact O-N 3.49Å; Q432-E436 HydrophobicContact CG-CG 4.43Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.11Å; Q432-E436 PolarHBondContact NE2-OE1 3.33Å; Q432-E436 PolarHBondContact O-N 2.96Å
433K82.7Confident80Confident121 Ų121108.6 Ų108.653%0.52651%0.514SS..Hα-helixtrans-57.6-41.2179.2-171.5172.5-175.5-75.80112.6E429 L435 E436 E437E429-K433 PolarHBondContact O-N 3.47Å; K433-L435 VanDerWaalsContact C-N 3.32Å; K433-L435 PolarHBondContact O-N 2.72Å; K433-E436 PolarHBondContact O-N 3.1Å; K433-E437 IonicContact NZ-OE1 2.78Å; K433-E437 PolarHBondContact NZ-OE1 3.18Å; K433-E437 WeakPolarHBondContact O-CB 3.13Å; K433-E437 WeakPolarHBondContact O-CG 3.25Å; K433-E437 PolarHBondContact O-N 3.17Å
434R80.7Confident79.7Confident156 Ų156109.7 Ų109.759%0.58952%0.519SS*.Hα-helixtrans-66.8-32.1176.9-66.1171.3-158.8-1717112.6E430 M431 Q432 A438E430-R434 VanDerWaalsContact O-CG 3.3Å; E430-R434 WeakPolarHBondContact O-CG 3.42Å; E430-R434 PolarHBondContact O-N 3.44Å; E430-R434 IonicContact OE2-CZ 3.23Å; E430-R434 IonicContact OE2-NH2 3.5Å; E430-R434 PolarHBondContact OE2-NH2 2.87Å; M431-R434 PolarHBondContact O-N 2.84Å; Q432-R434 VanDerWaalsContact C-N 3.3Å; Q432-R434 PolarHBondContact O-N 3.24Å; R434-A438 PolarHBondContact O-N 2.76Å
435L75.9Confident79.4Confident119 Ų119105.9 Ų105.962%0.62352%0.517SS*.Hα-helixtrans-72.3-39.6173.5-71.2164.7000111.8M431 Q432 K433 A438 L439M431-L435 WeakPolarHBondContact O-CG 3.41Å; M431-L435 PolarHBondContact O-N 2.86Å; Q432-L435 WeakPolarHBondContact O-CA 3.24Å; Q432-L435 WeakPolarHBondContact O-CB 3.25Å; Q432-L435 PolarHBondContact O-N 3.49Å; K433-L435 VanDerWaalsContact C-N 3.32Å; K433-L435 PolarHBondContact O-N 2.72Å; L435-A438 PolarHBondContact O-N 2.88Å; L435-L439 WeakPolarHBondContact O-CB 3.32Å; L435-L439 PolarHBondContact O-N 3.01Å
436E78.4Confident79Confident88 Ų88108.4 Ų108.441%0.41152%0.52SS..Hα-helixtrans-65.4-42174.9-71176-17000112.1Q432 K433 A438 L439 Q440Q432-E436 HydrophobicContact CG-CG 4.43Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.11Å; Q432-E436 PolarHBondContact NE2-OE1 3.33Å; Q432-E436 PolarHBondContact O-N 2.96Å; K433-E436 PolarHBondContact O-N 3.1Å; E436-A438 VanDerWaalsContact C-N 3.34Å; E436-A438 PolarHBondContact O-N 2.81Å; E436-L439 PolarHBondContact O-N 2.85Å; E436-Q440 WeakPolarHBondContact O-CG 3.36Å; E436-Q440 PolarHBondContact O-N 2.86Å
437E82.3Confident78.8Confident81 Ų81108 Ų10838%0.37952%0.522SS..Hα-helixtrans-62.2-38.8174.7-75171.9-175.300112.2K433 Q441K433-E437 IonicContact NZ-OE1 2.78Å; K433-E437 PolarHBondContact NZ-OE1 3.18Å; K433-E437 WeakPolarHBondContact O-CB 3.13Å; K433-E437 WeakPolarHBondContact O-CG 3.25Å; K433-E437 PolarHBondContact O-N 3.17Å; E437-Q441 WeakPolarHBondContact O-CG 3.28Å; E437-Q441 PolarHBondContact O-N 2.85Å; E437-Q441 PolarHBondContact O-NE2 3Å
438A77.6Confident78.5Confident52 Ų52107.5 Ų107.543%0.4352%0.522SS..Hα-helixtrans-67.9-43.2174.500000112R434 L435 E436 Q440 Q441 E442R434-A438 PolarHBondContact O-N 2.76Å; L435-A438 PolarHBondContact O-N 2.88Å; E436-A438 VanDerWaalsContact C-N 3.34Å; E436-A438 PolarHBondContact O-N 2.81Å; A438-Q440 VanDerWaalsContact C-N 3.33Å; A438-Q440 PolarHBondContact O-N 3.38Å; A438-Q441 PolarHBondContact O-N 3.34Å; A438-Q441 VanDerWaalsContact O-N 3.16Å; A438-E442 PolarHBondContact O-N 3.18Å; A438-E442 VanDerWaalsContact O-N 3.09Å
439L79.3Confident78Confident106 Ų106106.7 Ų106.756%0.55552%0.516SS*.Hα-helixtrans-62.3-38.3176.8-177.962.2000112.1L435 E436 Q441 E442 I443L435-L439 WeakPolarHBondContact O-CB 3.32Å; L435-L439 PolarHBondContact O-N 3.01Å; E436-L439 PolarHBondContact O-N 2.85Å; L439-Q441 VanDerWaalsContact C-N 3.33Å; L439-Q441 PolarHBondContact O-N 3Å; L439-E442 PolarHBondContact O-N 3.2Å; L439-I443 HydrophobicContact CD1-CD1 4.39Å; L439-I443 HydrophobicContact CG-CD1 4.05Å; L439-I443 VanDerWaalsContact O-CG1 3.28Å; L439-I443 WeakPolarHBondContact O-CG1 3.47Å; L439-I443 PolarHBondContact O-N 2.93Å
440Q76.9Confident77.6Confident128 Ų128107.1 Ų107.160%0.59852%0.518SS*.Hα-helixtrans-66.3-32.8175.3-72.5176.917.700112.8E436 A438 K444E436-Q440 WeakPolarHBondContact O-CG 3.36Å; E436-Q440 PolarHBondContact O-N 2.86Å; A438-Q440 VanDerWaalsContact C-N 3.33Å; A438-Q440 PolarHBondContact O-N 3.38Å; Q440-K444 WeakPolarHBondContact O-CB 3.35Å; Q440-K444 PolarHBondContact O-N 2.99Å
441Q77.9Confident77Confident137 Ų137104.6 Ų104.664%0.6452%0.518SS*.Hα-helixtrans-69.4-42.4174.4-70170.544.100111.8E437 A438 L439 K444 A445E437-Q441 WeakPolarHBondContact O-CG 3.28Å; E437-Q441 PolarHBondContact O-N 2.85Å; E437-Q441 PolarHBondContact O-NE2 3Å; A438-Q441 PolarHBondContact O-N 3.34Å; A438-Q441 VanDerWaalsContact O-N 3.16Å; L439-Q441 VanDerWaalsContact C-N 3.33Å; L439-Q441 PolarHBondContact O-N 3Å; Q441-K444 PolarHBondContact O-N 2.85Å; Q441-A445 PolarHBondContact O-N 2.77Å
442E76.3Confident76.7Confident122 Ų122107.3 Ų107.357%0.5753%0.527SS*.Hα-helixtrans-58.3-48.1173.5-171.680-145.800111.3A438 L439 K444 A445 R446A438-E442 PolarHBondContact O-N 3.18Å; A438-E442 VanDerWaalsContact O-N 3.09Å; L439-E442 PolarHBondContact O-N 3.2Å; E442-K444 PolarHBondContact O-N 3.01Å; E442-A445 PolarHBondContact O-N 3.16Å; E442-R446 WeakPolarHBondContact O-CG 3.47Å; E442-R446 PolarHBondContact O-N 2.95Å; E442-R446 VanDerWaalsContact O-N 3.16Å
443I77.9Confident76.4Confident89 Ų89108.9 Ų108.946%0.45653%0.528SS..Hα-helixtrans-60.9-43.8177.3-69.6165.2000111.3L439 R446 L447L439-I443 HydrophobicContact CD1-CD1 4.39Å; L439-I443 HydrophobicContact CG-CD1 4.05Å; L439-I443 VanDerWaalsContact O-CG1 3.28Å; L439-I443 WeakPolarHBondContact O-CG1 3.47Å; L439-I443 PolarHBondContact O-N 2.93Å; I443-R446 PolarHBondContact O-N 3.04Å; I443-L447 HydrophobicContact CG2-CD1 4.09Å; I443-L447 WeakPolarHBondContact O-CG 3.42Å; I443-L447 PolarHBondContact O-N 3.44Å; I443-L447 VanDerWaalsContact O-N 3.12Å
444K78.6Confident75.9Confident134 Ų134111.9 Ų111.958%0.58354%0.537SS*.Hα-helixtrans-63.1-46178.7-174.5-179.8175.9-1750111.7Q440 Q441 E442 R446 L447 D448Q440-K444 WeakPolarHBondContact O-CB 3.35Å; Q440-K444 PolarHBondContact O-N 2.99Å; Q441-K444 PolarHBondContact O-N 2.85Å; E442-K444 PolarHBondContact O-N 3.01Å; K444-R446 PolarHBondContact O-N 2.83Å; K444-L447 PolarHBondContact O-N 2.9Å; K444-L447 VanDerWaalsContact O-N 3.15Å; K444-D448 PolarHBondContact O-N 3.49Å
445A75.3Confident75.4Confident60 Ų60106.8 Ų106.850%0.49653%0.528SS..Hα-helixtrans-58.6-36.2178.500000112.3Q441 E442 E449Q441-A445 PolarHBondContact O-N 2.77Å; E442-A445 PolarHBondContact O-N 3.16Å; A445-E449 WeakPolarHBondContact O-CB 3.41Å; A445-E449 PolarHBondContact O-N 3.43Å
446R73Confident75.1Confident144 Ų144107.3 Ų107.354%0.54353%0.528SS..Hα-helixtrans-66.5-44.9173.8-70.9-60.5-166.4167.27.8113.5E442 I443 K444 D448 E449 E450E442-R446 WeakPolarHBondContact O-CG 3.47Å; E442-R446 PolarHBondContact O-N 2.95Å; E442-R446 VanDerWaalsContact O-N 3.16Å; I443-R446 PolarHBondContact O-N 3.04Å; K444-R446 PolarHBondContact O-N 2.83Å; R446-D448 VanDerWaalsContact C-N 3.33Å; R446-D448 PolarHBondContact O-N 2.92Å; R446-E449 IonicContact CZ-OE2 3.55Å; R446-E449 IonicContact NH1-OE2 3.06Å; R446-E449 PolarHBondContact NH1-OE2 3.39Å; R446-E449 WeakPolarHBondContact O-CB 3.3Å; R446-E449 PolarHBondContact O-N 2.94Å; R446-E450 PolarHBondContact O-N 3.45Å
447L75.1Confident74.8Confident108 Ų108105.9 Ų105.957%0.56553%0.531SS*.Hα-helixtrans-64.2-39.1178.2-69.8168.7000111.9I443 K444 E450 G451I443-L447 HydrophobicContact CG2-CD1 4.09Å; I443-L447 WeakPolarHBondContact O-CG 3.42Å; I443-L447 PolarHBondContact O-N 3.44Å; I443-L447 VanDerWaalsContact O-N 3.12Å; K444-L447 PolarHBondContact O-N 2.9Å; K444-L447 VanDerWaalsContact O-N 3.15Å; L447-E450 PolarHBondContact O-N 2.9Å; L447-G451 PolarHBondContact O-N 2.82Å
448D76.6Confident74.4Confident92 Ų92109.1 Ų109.149%0.49254%0.54SS..Hα-helixtrans-64.2-40173.7-68.6-29.3000110.8K444 R446 G451 F452K444-D448 PolarHBondContact O-N 3.49Å; R446-D448 VanDerWaalsContact C-N 3.33Å; R446-D448 PolarHBondContact O-N 2.92Å; D448-G451 PolarHBondContact O-N 2.89Å; D448-F452 WeakPolarHBondContact O-CD2 3.34Å; D448-F452 PolarHBondContact O-N 2.85Å
449E69.8Low74Confident69 Ų69111.5 Ų111.532%0.32255%0.545SS..Hα-helixtrans-62.5-41175.4-157.4-159.2154.200112.9A445 R446 R453A445-E449 WeakPolarHBondContact O-CB 3.41Å; A445-E449 PolarHBondContact O-N 3.43Å; R446-E449 IonicContact CZ-OE2 3.55Å; R446-E449 IonicContact NH1-OE2 3.06Å; R446-E449 PolarHBondContact NH1-OE2 3.39Å; R446-E449 WeakPolarHBondContact O-CB 3.3Å; R446-E449 PolarHBondContact O-N 2.94Å; E449-R453 VanDerWaalsContact CD-NH1 3.28Å; E449-R453 PolarHBondContact O-N 2.64Å; E449-R453 IonicContact OE1-CZ 3.48Å; E449-R453 IonicContact OE1-NH1 2.68Å; E449-R453 PolarHBondContact OE1-NH1 3.07Å; E449-R453 IonicContact OE1-NH2 2.71Å; E449-R453 PolarHBondContact OE1-NH2 2.94Å
450E73.5Confident73.7Confident127 Ų127112.2 Ų112.259%0.59355%0.549SS*.Hα-helixtrans-69.4-39.7175.9-71.2-173.1156.300112.2R446 L447 F452 R453 Y454R446-E450 PolarHBondContact O-N 3.45Å; L447-E450 PolarHBondContact O-N 2.9Å; E450-F452 VanDerWaalsContact C-N 3.33Å; E450-F452 PolarHBondContact O-N 3.16Å; E450-R453 PolarHBondContact O-N 3.48Å; E450-R453 VanDerWaalsContact O-N 3.16Å; E450-Y454 PolarHBondContact O-N 2.78Å
451G72.9Confident73.4Confident43 Ų43108.8 Ų108.844%0.44354%0.542SS..Hα-helixtrans-57.7-42.4175.700000113L447 D448 Y454 A455L447-G451 PolarHBondContact O-N 2.82Å; D448-G451 PolarHBondContact O-N 2.89Å; G451-Y454 PolarHBondContact O-N 2.85Å; G451-A455 PolarHBondContact O-N 3.5Å; G451-A455 VanDerWaalsContact O-N 3.07Å
452F72.6Confident73.2Confident167 Ų167105.5 Ų105.573%0.73253%0.527SS*.Hα-helixtrans-63-41.6174.7-89.7-74.6000112.9D448 E450 A455 Q456D448-F452 WeakPolarHBondContact O-CD2 3.34Å; D448-F452 PolarHBondContact O-N 2.85Å; E450-F452 VanDerWaalsContact C-N 3.33Å; E450-F452 PolarHBondContact O-N 3.16Å; F452-A455 PolarHBondContact O-N 3.47Å; F452-Q456 PolarHBondContact O-N 3.16Å; F452-Q456 VanDerWaalsContact O-N 3.11Å
453R71.6Confident72.9Confident143 Ų143105 Ų10554%0.5452%0.524SS..Hα-helixtrans-64.6-41.5176.3-71.6-168178.591.88.1112.3E449 E450 Q456 A457E449-R453 VanDerWaalsContact CD-NH1 3.28Å; E449-R453 PolarHBondContact O-N 2.64Å; E449-R453 IonicContact OE1-CZ 3.48Å; E449-R453 IonicContact OE1-NH1 2.68Å; E449-R453 PolarHBondContact OE1-NH1 3.07Å; E449-R453 IonicContact OE1-NH2 2.71Å; E449-R453 PolarHBondContact OE1-NH2 2.94Å; E450-R453 PolarHBondContact O-N 3.48Å; E450-R453 VanDerWaalsContact O-N 3.16Å; R453-Q456 PolarHBondContact O-N 3.4Å; R453-A457 PolarHBondContact O-N 2.98Å
454Y71.3Confident72.5Confident185 Ų185106 Ų10673%0.72553%0.527SS*.Hα-helixtrans-64.8-42179.3-167.8-94.5000112E450 G451 Q456 A457 R458E450-Y454 PolarHBondContact O-N 2.78Å; G451-Y454 PolarHBondContact O-N 2.85Å; Y454-Q456 PolarHBondContact O-N 3.07Å; Y454-A457 PolarHBondContact O-N 2.85Å; Y454-R458 PolarHBondContact O-N 3.1Å; Y454-R458 VanDerWaalsContact O-N 3.15Å
455A71.2Confident72.3Confident48 Ų48107 Ų10740%0.39753%0.533SS..Hα-helixtrans-62.4-4117500000112.6G451 F452 R458 L459G451-A455 PolarHBondContact O-N 3.5Å; G451-A455 VanDerWaalsContact O-N 3.07Å; F452-A455 PolarHBondContact O-N 3.47Å; A455-R458 PolarHBondContact O-N 3.42Å; A455-L459 PolarHBondContact O-N 3.5Å
456Q70.1Confident72.1Confident131 Ų131108.9 Ų108.961%0.61253%0.53SS*.Hα-helixtrans-63.7-42.4176.9-171.7177.226.900112.2F452 R453 Y454 L460F452-Q456 PolarHBondContact O-N 3.16Å; F452-Q456 VanDerWaalsContact O-N 3.11Å; R453-Q456 PolarHBondContact O-N 3.4Å; Y454-Q456 PolarHBondContact O-N 3.07Å; Q456-L460 PolarHBondContact O-N 3.21Å
457A70.5Confident71.8Confident58 Ų58107.9 Ų107.948%0.47953%0.533SS..Hα-helixtrans-63.9-39.6177.900000112.5R453 Y454 L460 A461R453-A457 PolarHBondContact O-N 2.98Å; Y454-A457 PolarHBondContact O-N 2.85Å; A457-L460 PolarHBondContact O-N 2.88Å; A457-A461 PolarHBondContact O-N 2.93Å
458R73.8Confident71.8Confident149 Ų149108.5 Ų108.556%0.56253%0.532SS*.Hα-helixtrans-65.1-41.9179.5-156.3-170.484.5-150.21.2112.6Y454 A455 L460 A461 E462Y454-R458 PolarHBondContact O-N 3.1Å; Y454-R458 VanDerWaalsContact O-N 3.15Å; A455-R458 PolarHBondContact O-N 3.42Å; R458-L460 VanDerWaalsContact C-N 3.33Å; R458-L460 PolarHBondContact O-N 3.35Å; R458-A461 PolarHBondContact O-N 3.28Å; R458-E462 IonicContact CZ-OE1 2.68Å; R458-E462 IonicContact NE-OE1 3.24Å; R458-E462 PolarHBondContact NE-OE1 3.01Å; R458-E462 IonicContact NH2-OE1 2.65Å; R458-E462 PolarHBondContact NH2-OE1 2.88Å; R458-E462 VanDerWaalsContact NH2-OE1 3.17Å; R458-E462 PolarHBondContact O-N 3.48Å
459L70.4Confident71.5Confident102 Ų102107.2 Ų107.253%0.53453%0.534SS..Hα-helixtrans-63.2-37.8177.7-78.5165.1000112.4A455 E462 E463A455-L459 PolarHBondContact O-N 3.5Å; L459-E462 PolarHBondContact O-N 3.01Å; L459-E463 PolarHBondContact O-N 2.7Å
460L71.5Confident71.4Confident121 Ų121109.7 Ų109.763%0.63455%0.549SS*.Hα-helixtrans-65.6-38.5176.3-70.9167.7000112.2Q456 A457 R458 E463 E464Q456-L460 PolarHBondContact O-N 3.21Å; A457-L460 PolarHBondContact O-N 2.88Å; R458-L460 VanDerWaalsContact C-N 3.33Å; R458-L460 PolarHBondContact O-N 3.35Å; L460-E463 PolarHBondContact O-N 3.41Å; L460-E464 PolarHBondContact O-N 2.96Å; L460-E464 VanDerWaalsContact O-N 3.15Å
461A71.4Confident71.1Confident55 Ų55109.2 Ų109.246%0.45555%0.548SS..Hα-helixtrans-68-41.617600000112.7A457 R458 E463 E464 E465A457-A461 PolarHBondContact O-N 2.93Å; R458-A461 PolarHBondContact O-N 3.28Å; A461-E463 VanDerWaalsContact C-N 3.26Å; A461-E463 PolarHBondContact O-N 3.28Å; A461-E464 PolarHBondContact O-N 3.3Å; A461-E465 PolarHBondContact O-N 2.88Å
462E73.7Confident70.9Confident69 Ų69109.9 Ų109.932%0.32255%0.55SS..Hα-helixtrans-60.9-32.9176.1-74.9177.1-152.300112.4R458 L459 K466R458-E462 IonicContact CZ-OE1 2.68Å; R458-E462 IonicContact NE-OE1 3.24Å; R458-E462 PolarHBondContact NE-OE1 3.01Å; R458-E462 IonicContact NH2-OE1 2.65Å; R458-E462 PolarHBondContact NH2-OE1 2.88Å; R458-E462 VanDerWaalsContact NH2-OE1 3.17Å; R458-E462 PolarHBondContact O-N 3.48Å; L459-E462 PolarHBondContact O-N 3.01Å; E462-K466 VanDerWaalsContact O-CD 3.27Å; E462-K466 WeakPolarHBondContact O-CD 3.44Å; E462-K466 WeakPolarHBondContact O-CE 3.47Å; E462-K466 VanDerWaalsContact O-CG 3.25Å; E462-K466 WeakPolarHBondContact O-CG 3.49Å
463E69.5Low70.8Confident110 Ų110106.1 Ų106.151%0.51454%0.537SS..Hα-helixtrans-77.4-34.1174.7-66.6-59.9109.800113L459 L460 A461 K466 M467L459-E463 PolarHBondContact O-N 2.7Å; L460-E463 PolarHBondContact O-N 3.41Å; A461-E463 VanDerWaalsContact C-N 3.26Å; A461-E463 PolarHBondContact O-N 3.28Å; E463-K466 PolarHBondContact O-N 2.91Å; E463-K466 WeakPolarHBondContact OE1-CD 3.46Å; E463-K466 IonicContact OE1-NZ 2.73Å; E463-K466 PolarHBondContact OE1-NZ 2.97Å; E463-M467 PolarHBondContact O-N 3.09Å
464E70.6Confident70.5Confident112 Ų112104.7 Ų104.752%0.52354%0.536SS..Hα-helixtrans-68.5-36.4179.1-157.2-167.3139.400112.5L460 A461 M467 K468L460-E464 PolarHBondContact O-N 2.96Å; L460-E464 VanDerWaalsContact O-N 3.15Å; A461-E464 PolarHBondContact O-N 3.3Å; E464-M467 PolarHBondContact O-N 3.22Å; E464-K468 PolarHBondContact O-N 3.36Å; E464-K468 WeakPolarHBondContact OE1-CE 3.29Å; E464-K468 IonicContact OE1-NZ 3.65Å; E464-K468 PolarHBondContact OE1-NZ 2.86Å
465E73Confident70.4Confident153 Ų153102.4 Ų102.472%0.71553%0.532SS*.Hα-helixtrans-66.8-42.4173.1-74.4-158.413400112.5A461 M467 K468 A469A461-E465 PolarHBondContact O-N 2.88Å; E465-M467 VanDerWaalsContact C-N 3.28Å; E465-M467 PolarHBondContact O-N 3.32Å; E465-K468 PolarHBondContact O-N 2.92Å; E465-A469 PolarHBondContact O-N 3.4Å
466K72Confident70.3Confident100 Ų100106.7 Ų106.744%0.43554%0.544SS..Hα-helixtrans-59.8-40.2176.2-68.4165.2-158162.70111.5E462 E463 A469 L470E462-K466 VanDerWaalsContact O-CD 3.27Å; E462-K466 WeakPolarHBondContact O-CD 3.44Å; E462-K466 WeakPolarHBondContact O-CE 3.47Å; E462-K466 VanDerWaalsContact O-CG 3.25Å; E462-K466 WeakPolarHBondContact O-CG 3.49Å; E463-K466 PolarHBondContact O-N 2.91Å; E463-K466 WeakPolarHBondContact OE1-CD 3.46Å; E463-K466 IonicContact OE1-NZ 2.73Å; E463-K466 PolarHBondContact OE1-NZ 2.97Å; K466-A469 PolarHBondContact O-N 3.43Å; K466-L470 WeakPolarHBondContact O-CG 3.29Å; K466-L470 PolarHBondContact O-N 3.26Å
467M67.1Low69.8Low123 Ų123105.8 Ų105.861%0.60654%0.54SS*.Hα-helixtrans-60.4-47.1176.3-164.276.771.500111.7E463 E464 E465 L470 M471E463-M467 PolarHBondContact O-N 3.09Å; E464-M467 PolarHBondContact O-N 3.22Å; E465-M467 VanDerWaalsContact C-N 3.28Å; E465-M467 PolarHBondContact O-N 3.32Å; M467-L470 PolarHBondContact O-N 3.24Å; M467-M471 PolarHBondContact O-N 2.9Å; M467-M471 VanDerWaalsContact O-N 3.1Å
468K74.5Confident69.5Low121 Ų121108.1 Ų108.153%0.52654%0.54SS..Hα-helixtrans-64.4-41.5178.4-72.7169.9-173.3157.40112.4E464 E465 L470 M471 A472E464-K468 PolarHBondContact O-N 3.36Å; E464-K468 WeakPolarHBondContact OE1-CE 3.29Å; E464-K468 IonicContact OE1-NZ 3.65Å; E464-K468 PolarHBondContact OE1-NZ 2.86Å; E465-K468 PolarHBondContact O-N 2.92Å; K468-L470 VanDerWaalsContact C-N 3.34Å; K468-L470 PolarHBondContact O-N 2.99Å; K468-M471 PolarHBondContact O-N 2.78Å; K468-A472 PolarHBondContact O-N 3.45Å; K468-A472 VanDerWaalsContact O-N 3.16Å
469A69.9Low69.2Low66 Ų66108.3 Ų108.355%0.54555%0.548SS..Hα-helixtrans-62.9-38.7177.300000112.6E465 K466 L473E465-A469 PolarHBondContact O-N 3.4Å; K466-A469 PolarHBondContact O-N 3.43Å; A469-L473 PolarHBondContact O-N 2.99Å
470L68.8Low69.1Low120 Ų120111.8 Ų111.863%0.62856%0.555SS**Hα-helixtrans-69.5-40.6176.8-76168000112.8K466 M467 K468 L473 Q474K466-L470 WeakPolarHBondContact O-CG 3.29Å; K466-L470 PolarHBondContact O-N 3.26Å; M467-L470 PolarHBondContact O-N 3.24Å; K468-L470 VanDerWaalsContact C-N 3.34Å; K468-L470 PolarHBondContact O-N 2.99Å; L470-L473 PolarHBondContact O-N 3.31Å; L470-Q474 PolarHBondContact O-N 3.32Å; L470-Q474 VanDerWaalsContact O-N 3.14Å
471M66.5Low68.8Low117 Ų117110.2 Ų110.258%0.57655%0.546SS*.Hα-helixtrans-64-46177.9-73.3-174.565.800112.3M467 K468 L473 Q474 E475M467-M471 PolarHBondContact O-N 2.9Å; M467-M471 VanDerWaalsContact O-N 3.1Å; K468-M471 PolarHBondContact O-N 2.78Å; M471-L473 VanDerWaalsContact C-N 3.3Å; M471-L473 PolarHBondContact O-N 2.89Å; M471-Q474 WeakPolarHBondContact O-CB 3.01Å; M471-Q474 PolarHBondContact O-N 3.48Å; M471-Q474 VanDerWaalsContact O-N 3.07Å; M471-E475 PolarHBondContact O-N 2.92Å; M471-E475 VanDerWaalsContact O-N 3.11Å
472A69.8Low68.8Low58 Ų58112.1 Ų112.148%0.47955%0.552SS.*Hα-helixtrans-60.7-39178.700000112.5K468 Q474 E475 E476K468-A472 PolarHBondContact O-N 3.45Å; K468-A472 VanDerWaalsContact O-N 3.16Å; A472-Q474 VanDerWaalsContact C-N 3.29Å; A472-Q474 PolarHBondContact O-N 3.48Å; A472-E475 PolarHBondContact O-N 3.47Å; A472-E476 PolarHBondContact O-N 3.48Å
473L69.6Low68.4Low88 Ų88115.8 Ų115.846%0.46157%0.567SS.*Hα-helixtrans-69.8-25.5176.9-168.168.4000112.8A469 L470 M471 Q477A469-L473 PolarHBondContact O-N 2.99Å; L470-L473 PolarHBondContact O-N 3.31Å; M471-L473 VanDerWaalsContact C-N 3.3Å; M471-L473 PolarHBondContact O-N 2.89Å; L473-Q477 WeakPolarHBondContact O-CG 3.19Å; L473-Q477 PolarHBondContact O-N 2.64Å
474Q65.4Low68.1Low112 Ų112114 Ų11452%0.52356%0.564SS.*Hα-helixtrans-74.7-46.3174.6-174-179.9-25.600111.4L470 M471 A472 E476 Q477 E478L470-Q474 PolarHBondContact O-N 3.32Å; L470-Q474 VanDerWaalsContact O-N 3.14Å; M471-Q474 WeakPolarHBondContact O-CB 3.01Å; M471-Q474 PolarHBondContact O-N 3.48Å; M471-Q474 VanDerWaalsContact O-N 3.07Å; A472-Q474 VanDerWaalsContact C-N 3.29Å; A472-Q474 PolarHBondContact O-N 3.48Å; Q474-E476 VanDerWaalsContact C-N 3.33Å; Q474-E476 PolarHBondContact O-N 3.36Å; Q474-Q477 PolarHBondContact O-N 2.75Å; Q474-Q477 VanDerWaalsContact O-N 3.17Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.44Å; Q474-E478 PolarHBondContact NE2-OE1 2.92Å; Q474-E478 PolarHBondContact O-N 3.4Å
475E70.1Confident67.7Low137 Ų137114 Ų11464%0.6456%0.564SS**Hα-helixtrans-59.1-43178.5-68.5-176.2137.200111.8M471 A472 Q477 E478 E479M471-E475 PolarHBondContact O-N 2.92Å; M471-E475 VanDerWaalsContact O-N 3.11Å; A472-E475 PolarHBondContact O-N 3.47Å; E475-Q477 VanDerWaalsContact C-N 3.32Å; E475-Q477 PolarHBondContact O-N 2.75Å; E475-E478 PolarHBondContact O-N 2.93Å; E475-E479 PolarHBondContact O-N 3.18Å; E475-E479 VanDerWaalsContact O-N 3.09Å
476E68.6Low67.5Low139 Ų139114.9 Ų114.965%0.6556%0.56SS**Hα-helixtrans-62.7-35.9177.1-170.4175.9-148.600112.7A472 Q474 Y480A472-E476 PolarHBondContact O-N 3.48Å; Q474-E476 VanDerWaalsContact C-N 3.33Å; Q474-E476 PolarHBondContact O-N 3.36Å; E476-Y480 PolarHBondContact O-N 3.01Å
477Q59Low66.9Low112 Ų112115.7 Ų115.752%0.52357%0.566SS.*Hα-helixtrans-72.3-38.1175.1-73.2-179.131.900112.5L473 Q474 E475 Y480 I481L473-Q477 WeakPolarHBondContact O-CG 3.19Å; L473-Q477 PolarHBondContact O-N 2.64Å; Q474-Q477 PolarHBondContact O-N 2.75Å; Q474-Q477 VanDerWaalsContact O-N 3.17Å; E475-Q477 VanDerWaalsContact C-N 3.32Å; E475-Q477 PolarHBondContact O-N 2.75Å; Q477-Y480 PolarHBondContact O-N 3.49Å; Q477-I481 VanDerWaalsContact O-CG1 3.29Å; Q477-I481 WeakPolarHBondContact O-CG1 3.16Å; Q477-I481 PolarHBondContact O-N 2.88Å
478E64Low66.6Low106 Ų106117.5 Ų117.550%0.49557%0.57SS.*Hα-helixtrans-67.3-41.8179.5-73.1-174.7-157.700112Q474 E475 Y480 I481 V482Q474-E478 WeakPolarHBondContact CG-OE1 3.44Å; Q474-E478 PolarHBondContact NE2-OE1 2.92Å; Q474-E478 PolarHBondContact O-N 3.4Å; E475-E478 PolarHBondContact O-N 2.93Å; E478-Y480 VanDerWaalsContact C-N 3.33Å; E478-Y480 PolarHBondContact O-N 3.49Å; E478-I481 PolarHBondContact O-N 2.99Å; E478-V482 WeakPolarHBondContact O-CG2 3.49Å; E478-V482 PolarHBondContact O-N 3.45Å
479E67.1Low66Low154 Ų154117.5 Ų117.572%0.7257%0.572SS**Hα-helixtrans-58.8-43.5172.3-73.9-148.4135.600112.2E475 I481 V482 K483E475-E479 PolarHBondContact O-N 3.18Å; E475-E479 VanDerWaalsContact O-N 3.09Å; E479-I481 VanDerWaalsContact C-N 3.34Å; E479-I481 PolarHBondContact O-N 2.9Å; E479-V482 PolarHBondContact O-N 2.87Å; E479-K483 WeakPolarHBondContact O-CB 3.34Å; E479-K483 PolarHBondContact O-N 3.28Å
480Y68.3Low65.7Low174 Ų174120 Ų12068%0.68257%0.573SS**Hα-helixtrans-63.8-39.2-180-157.9-82000112E476 Q477 E478 T484E476-Y480 PolarHBondContact O-N 3.01Å; Q477-Y480 PolarHBondContact O-N 3.49Å; E478-Y480 VanDerWaalsContact C-N 3.33Å; E478-Y480 PolarHBondContact O-N 3.49Å; Y480-T484 WeakPolarHBondContact O-CB 3.4Å; Y480-T484 PolarHBondContact O-N 3.03Å; Y480-T484 VanDerWaalsContact O-N 3.09Å; Y480-T484 PolarHBondContact O-OG1 3.46Å
481I65.8Low65.3Low88 Ų88120 Ų12045%0.45157%0.572SS.*Hα-helixtrans-65.8-47.7175.8-70.2164.8000110.8Q477 E478 E479 K483 T484 Q485Q477-I481 VanDerWaalsContact O-CG1 3.29Å; Q477-I481 WeakPolarHBondContact O-CG1 3.16Å; Q477-I481 PolarHBondContact O-N 2.88Å; E478-I481 PolarHBondContact O-N 2.99Å; E479-I481 VanDerWaalsContact C-N 3.34Å; E479-I481 PolarHBondContact O-N 2.9Å; I481-K483 VanDerWaalsContact C-N 3.34Å; I481-K483 PolarHBondContact O-N 2.82Å; I481-T484 PolarHBondContact O-N 3.37Å; I481-Q485 HydrophobicContact CG2-CG 4.43Å; I481-Q485 VanDerWaalsContact CG2-NE2 3.33Å; I481-Q485 WeakPolarHBondContact O-CG 3.48Å; I481-Q485 PolarHBondContact O-N 3.06Å
482V71.2Confident64.9Low96 Ų96121 Ų12158%0.58257%0.574SS**Hα-helixtrans-60.6-43.6179.4170.40000111.2E478 E479 Q485 R486E478-V482 WeakPolarHBondContact O-CG2 3.49Å; E478-V482 PolarHBondContact O-N 3.45Å; E479-V482 PolarHBondContact O-N 2.87Å; V482-Q485 PolarHBondContact O-N 2.82Å; V482-R486 PolarHBondContact O-N 3.38Å; V482-R486 VanDerWaalsContact O-N 3.16Å
483K66.6Low64.5Low145 Ų145124.6 Ų124.663%0.6358%0.581SS**Hα-helixtrans-60.7-48.3177.3-164.3172.7-175.1176.60111.8E479 I481 Q485 R486 E487E479-K483 WeakPolarHBondContact O-CB 3.34Å; E479-K483 PolarHBondContact O-N 3.28Å; I481-K483 VanDerWaalsContact C-N 3.34Å; I481-K483 PolarHBondContact O-N 2.82Å; K483-Q485 VanDerWaalsContact C-N 3.32Å; K483-Q485 PolarHBondContact O-N 2.96Å; K483-R486 WeakPolarHBondContact O-CB 3.1Å; K483-R486 PolarHBondContact O-N 2.82Å; K483-E487 PolarHBondContact O-N 2.7Å
484T62.6Low64.1Low72 Ų72125.7 Ų125.744%0.44258%0.583SS.*Hα-helixtrans-64.1-34178-52.50000112.6Y480 I481 K488Y480-T484 WeakPolarHBondContact O-CB 3.4Å; Y480-T484 PolarHBondContact O-N 3.03Å; Y480-T484 VanDerWaalsContact O-N 3.09Å; Y480-T484 PolarHBondContact O-OG1 3.46Å; I481-T484 PolarHBondContact O-N 3.37Å; T484-K488 WeakPolarHBondContact O-CB 3.31Å; T484-K488 PolarHBondContact O-N 3.09Å
485Q61.8Low63.5Low112 Ų112127 Ų12752%0.52359%0.591SS.*Hα-helixtrans-69.1-32.3175.7-74.7-174.728.800112.9I481 V482 K483 K488 Q489I481-Q485 HydrophobicContact CG2-CG 4.43Å; I481-Q485 VanDerWaalsContact CG2-NE2 3.33Å; I481-Q485 WeakPolarHBondContact O-CG 3.48Å; I481-Q485 PolarHBondContact O-N 3.06Å; V482-Q485 PolarHBondContact O-N 2.82Å; K483-Q485 VanDerWaalsContact C-N 3.32Å; K483-Q485 PolarHBondContact O-N 2.96Å; Q485-K488 PolarHBondContact O-N 2.8Å; Q485-Q489 WeakPolarHBondContact O-CG 3.38Å; Q485-Q489 PolarHBondContact O-N 3.04Å; Q485-Q489 VanDerWaalsContact O-N 3.07Å
486R68.8Low63.2Low172 Ų172124.6 Ų124.665%0.64958%0.58SS**Hα-helixtrans-68.4-50.9-178.3-163.3173.8-170.7150.32.9112.2V482 K483 K488 Q489 E490V482-R486 PolarHBondContact O-N 3.38Å; V482-R486 VanDerWaalsContact O-N 3.16Å; K483-R486 WeakPolarHBondContact O-CB 3.1Å; K483-R486 PolarHBondContact O-N 2.82Å; R486-K488 PolarHBondContact O-N 3.02Å; R486-Q489 WeakPolarHBondContact O-CB 3.47Å; R486-Q489 PolarHBondContact O-N 3.37Å; R486-E490 PolarHBondContact O-N 2.8Å
487E59.8Low63.2Low118 Ų118122.8 Ų122.855%0.55158%0.578SS**Hα-helixtrans-57.3-38.1174.8-64.1175.4176.200111.5K483 Q489 E490 L491K483-E487 PolarHBondContact O-N 2.7Å; E487-Q489 VanDerWaalsContact C-N 3.35Å; E487-Q489 PolarHBondContact O-N 3.47Å; E487-E490 PolarHBondContact O-N 2.7Å; E487-L491 PolarHBondContact O-N 2.85Å
488K61.5Low63.1Low160 Ų160123.4 Ų123.470%0.69658%0.579SS**Hα-helixtrans-67.9-28.2175.5-172.8175.3-178.5177.20113.6T484 Q485 R486 K492T484-K488 WeakPolarHBondContact O-CB 3.31Å; T484-K488 PolarHBondContact O-N 3.09Å; Q485-K488 PolarHBondContact O-N 2.8Å; R486-K488 PolarHBondContact O-N 3.02Å; K488-K492 WeakPolarHBondContact O-CB 3.44Å; K488-K492 PolarHBondContact O-N 3.01Å
489Q60.6Low62.6Low122 Ų122120.9 Ų120.957%0.5757%0.573SS**Hα-helixtrans-75.2-41.7174.5-76.6-176.10.900111.8Q485 R486 E487 K492 Q493Q485-Q489 WeakPolarHBondContact O-CG 3.38Å; Q485-Q489 PolarHBondContact O-N 3.04Å; Q485-Q489 VanDerWaalsContact O-N 3.07Å; R486-Q489 WeakPolarHBondContact O-CB 3.47Å; R486-Q489 PolarHBondContact O-N 3.37Å; E487-Q489 VanDerWaalsContact C-N 3.35Å; E487-Q489 PolarHBondContact O-N 3.47Å; Q489-K492 WeakPolarHBondContact O-CB 3.4Å; Q489-K492 PolarHBondContact O-N 3.13Å; Q489-K492 VanDerWaalsContact O-N 3.13Å; Q489-Q493 PolarHBondContact O-N 3.22Å
490E64.7Low62.5Low118 Ų118120.9 Ų120.955%0.55157%0.567SS**Hα-helixtrans-63.7-48.2-179.4-68.8172.2-17300111.3R486 E487 K492 Q493 E494R486-E490 PolarHBondContact O-N 2.8Å; E487-E490 PolarHBondContact O-N 2.7Å; E490-K492 PolarHBondContact O-N 3.19Å; E490-Q493 PolarHBondContact O-N 2.7Å; E490-Q493 VanDerWaalsContact O-N 3.17Å; E490-E494 PolarHBondContact O-N 2.87Å; E490-E494 VanDerWaalsContact O-N 3.16Å
491L59.4Low62.2Low119 Ų119116 Ų11662%0.62356%0.562SS**Hα-helixtrans-58.4-32.2172.1-76.4167.3000113.2E487 M495E487-L491 PolarHBondContact O-N 2.85Å; L491-M495 PolarHBondContact O-N 3.14Å
492K59.2Low61.8Low139 Ų139116.9 Ų116.960%0.60457%0.567SS**Hα-helixtrans-75.8-34.5178.6-162.2-177-178.5-162.40112.2K488 Q489 E490 M495 E496K488-K492 WeakPolarHBondContact O-CB 3.44Å; K488-K492 PolarHBondContact O-N 3.01Å; Q489-K492 WeakPolarHBondContact O-CB 3.4Å; Q489-K492 PolarHBondContact O-N 3.13Å; Q489-K492 VanDerWaalsContact O-N 3.13Å; E490-K492 PolarHBondContact O-N 3.19Å; K492-M495 WeakPolarHBondContact O-CB 3.28Å; K492-M495 PolarHBondContact O-N 3.04Å; K492-E496 WeakPolarHBondContact O-CB 3.29Å; K492-E496 PolarHBondContact O-N 2.86Å
493Q60.5Low61.3Low134 Ų134116 Ų11663%0.62656%0.559SS**Hα-helixtrans-67.7-41.3174.7-71-177.88.600111.7Q489 E490 M495 E496 V497Q489-Q493 PolarHBondContact O-N 3.22Å; E490-Q493 PolarHBondContact O-N 2.7Å; E490-Q493 VanDerWaalsContact O-N 3.17Å; Q493-M495 VanDerWaalsContact C-N 3.33Å; Q493-M495 PolarHBondContact O-N 3.46Å; Q493-E496 PolarHBondContact O-N 3.05Å; Q493-V497 WeakPolarHBondContact O-CG2 3.45Å; Q493-V497 PolarHBondContact O-N 3.06Å
494E60.6Low61.1Low111 Ų111113.6 Ų113.652%0.51955%0.55SS.*Hα-helixtrans-56.3-45.8171.1-99.8-138.8103.500112.4E490 K498E490-E494 PolarHBondContact O-N 2.87Å; E490-E494 VanDerWaalsContact O-N 3.16Å; E494-K498 VanDerWaalsContact CD-NZ 3.34Å; E494-K498 WeakPolarHBondContact O-CD 3.28Å; E494-K498 WeakPolarHBondContact O-CG 3.48Å; E494-K498 PolarHBondContact O-N 3.29Å; E494-K498 WeakPolarHBondContact OE1-CE 3.21Å; E494-K498 IonicContact OE1-NZ 2.77Å; E494-K498 PolarHBondContact OE1-NZ 2.66Å; E494-K498 IonicContact OE2-NZ 2.69Å
495M53.3Low60.7Low140 Ų140112.6 Ų112.669%0.6955%0.549SS*.Hα-helixtrans-59.1-45.7174.9-97.9-81.6-70.500112.1L491 K492 Q493 K498 S499L491-M495 PolarHBondContact O-N 3.14Å; K492-M495 WeakPolarHBondContact O-CB 3.28Å; K492-M495 PolarHBondContact O-N 3.04Å; Q493-M495 VanDerWaalsContact C-N 3.33Å; Q493-M495 PolarHBondContact O-N 3.46Å; M495-K498 PolarHBondContact O-N 3.32Å; M495-S499 PolarHBondContact O-N 3.09Å
496E64Low60.3Low86 Ų86112.5 Ų112.540%0.40255%0.549SS..Hα-helixtrans-75.2-32.2-174-150.7178.3-8500112.7K492 Q493 K498 S499 R500K492-E496 WeakPolarHBondContact O-CB 3.29Å; K492-E496 PolarHBondContact O-N 2.86Å; Q493-E496 PolarHBondContact O-N 3.05Å; E496-K498 VanDerWaalsContact C-N 3.34Å; E496-S499 PolarHBondContact O-N 2.86Å; E496-R500 VanDerWaalsContact O-CG 3.26Å; E496-R500 WeakPolarHBondContact O-CG 3.49Å; E496-R500 PolarHBondContact O-N 2.85Å; E496-R500 IonicContact OE2-CZ 3.78Å; E496-R500 IonicContact OE2-NE 3.64Å; E496-R500 PolarHBondContact OE2-NE 3.16Å; E496-R500 IonicContact OE2-NH2 3.78Å; E496-R500 PolarHBondContact OE2-NH2 2.91Å
497V68Low59.9Low100 Ų100112.3 Ų112.361%0.60655%0.548SS*.Hα-helixtrans-62.5-42.2169.3171.90000110.8Q493 R500 A501Q493-V497 WeakPolarHBondContact O-CG2 3.45Å; Q493-V497 PolarHBondContact O-N 3.06Å; V497-R500 PolarHBondContact O-N 3.08Å; V497-A501 PolarHBondContact O-N 3.45Å
498K57Low59.7Low125 Ų125112.9 Ų112.954%0.54355%0.551SS.*Hα-helixtrans-66.2-35.1174.7-69.9164.6-170.3161.30112.1E494 M495 E496 L502E494-K498 VanDerWaalsContact CD-NZ 3.34Å; E494-K498 WeakPolarHBondContact O-CD 3.28Å; E494-K498 WeakPolarHBondContact O-CG 3.48Å; E494-K498 PolarHBondContact O-N 3.29Å; E494-K498 WeakPolarHBondContact OE1-CE 3.21Å; E494-K498 IonicContact OE1-NZ 2.77Å; E494-K498 PolarHBondContact OE1-NZ 2.66Å; E494-K498 IonicContact OE2-NZ 2.69Å; M495-K498 PolarHBondContact O-N 3.32Å; E496-K498 VanDerWaalsContact C-N 3.34Å; K498-L502 PolarHBondContact O-N 3.07Å
499S54.6Low59.6Low54 Ų54109.9 Ų109.938%0.37854%0.542SS..Hα-helixtrans-66.7-48174.1-163.80000112.3M495 E496 A501 L502 D503M495-S499 PolarHBondContact O-N 3.09Å; E496-S499 PolarHBondContact O-N 2.86Å; S499-A501 VanDerWaalsContact C-N 3.28Å; S499-A501 PolarHBondContact O-N 3.47Å; S499-L502 CarbonylContact O-C 3.6Å; S499-L502 WeakPolarHBondContact O-CA 3.42Å; S499-L502 VanDerWaalsContact O-CB 3.23Å; S499-L502 WeakPolarHBondContact O-CB 3.5Å; S499-L502 PolarHBondContact O-N 3.46Å; S499-D503 PolarHBondContact O-N 2.73Å
500R64.1Low59.6Low153 Ų153109.3 Ų109.358%0.57754%0.539SS*.Hα-helixtrans-60.4-37.8-179.2-69.3168.9-169.8-155.56.7112E496 V497 L502 D503 E504E496-R500 VanDerWaalsContact O-CG 3.26Å; E496-R500 WeakPolarHBondContact O-CG 3.49Å; E496-R500 PolarHBondContact O-N 2.85Å; E496-R500 IonicContact OE2-CZ 3.78Å; E496-R500 IonicContact OE2-NE 3.64Å; E496-R500 PolarHBondContact OE2-NE 3.16Å; E496-R500 IonicContact OE2-NH2 3.78Å; E496-R500 PolarHBondContact OE2-NH2 2.91Å; V497-R500 PolarHBondContact O-N 3.08Å; R500-L502 PolarHBondContact O-N 3Å; R500-D503 PolarHBondContact O-N 2.63Å; R500-E504 PolarHBondContact O-N 3.31Å
501A61.7Low59.4Low71 Ų71109.9 Ų109.959%0.58754%0.542SS*.Hα-helixtrans-64-26.4172.800000113.5V497 S499V497-A501 PolarHBondContact O-N 3.45Å; S499-A501 VanDerWaalsContact C-N 3.28Å; S499-A501 PolarHBondContact O-N 3.47Å
502L57.6Low59.5Low108 Ų108108.9 Ų108.957%0.56554%0.54SS*.Hα-helixtrans-82.9-38.8177.4-143.1162.7000111K498 S499 R500 A505 Q506K498-L502 PolarHBondContact O-N 3.07Å; S499-L502 CarbonylContact O-C 3.6Å; S499-L502 WeakPolarHBondContact O-CA 3.42Å; S499-L502 VanDerWaalsContact O-CB 3.23Å; S499-L502 WeakPolarHBondContact O-CB 3.5Å; S499-L502 PolarHBondContact O-N 3.46Å; R500-L502 PolarHBondContact O-N 3Å; L502-A505 WeakPolarHBondContact O-CB 3.38Å; L502-A505 PolarHBondContact O-N 3.43Å; L502-Q506 PolarHBondContact O-N 3Å
503D60.7Low59.4Low76 Ų76109 Ų10941%0.40654%0.537SS..Hα-helixtrans-69.9-35.5176.3-63.4-38.6000112.5S499 R500 A505 Q506 R507S499-D503 PolarHBondContact O-N 2.73Å; R500-D503 PolarHBondContact O-N 2.63Å; D503-A505 VanDerWaalsContact C-N 3.27Å; D503-A505 PolarHBondContact O-N 2.89Å; D503-Q506 WeakPolarHBondContact O-CB 3.49Å; D503-Q506 PolarHBondContact O-N 3.1Å; D503-Q506 VanDerWaalsContact O-N 3.11Å; D503-R507 PolarHBondContact O-N 3.33Å
504E61.7Low59.3Low96 Ų96105.2 Ų105.245%0.44953%0.529SS..Hα-helixtrans-64.8-33172.8-143.974.4-104.700111.4R500 R507 Q508R500-E504 PolarHBondContact O-N 3.31Å; E504-R507 PolarHBondContact O-N 2.92Å; E504-R507 WeakPolarHBondContact OE1-CD 3.33Å; E504-R507 IonicContact OE1-CZ 3.7Å; E504-R507 IonicContact OE1-NE 3.88Å; E504-R507 IonicContact OE1-NH1 3.82Å; E504-R507 PolarHBondContact OE1-NH1 3.36Å; E504-R507 IonicContact OE2-NH1 2.87Å; E504-Q508 WeakPolarHBondContact O-CG 3.48Å; E504-Q508 PolarHBondContact O-N 3.25Å
505A55.9Low59Low51 Ų51103.3 Ų103.342%0.42152%0.522SS..Hα-helixtrans-72.2-32.117100000112.6L502 D503 Q508 L509L502-A505 WeakPolarHBondContact O-CB 3.38Å; L502-A505 PolarHBondContact O-N 3.43Å; D503-A505 VanDerWaalsContact C-N 3.27Å; D503-A505 PolarHBondContact O-N 2.89Å; A505-Q508 PolarHBondContact O-N 3.17Å; A505-L509 PolarHBondContact O-N 3.26Å; A505-L509 VanDerWaalsContact O-N 3.13Å
506Q53.2Low59.3Low110 Ų110105.2 Ų105.251%0.51452%0.522SS..Hα-helixtrans-66.8-39.8170.6-69.6-168.120.900112.1L502 D503 Q508 L509 E510L502-Q506 PolarHBondContact O-N 3Å; D503-Q506 WeakPolarHBondContact O-CB 3.49Å; D503-Q506 PolarHBondContact O-N 3.1Å; D503-Q506 VanDerWaalsContact O-N 3.11Å; Q506-Q508 VanDerWaalsContact C-N 3.33Å; Q506-Q508 PolarHBondContact O-N 3.2Å; Q506-L509 CarbonylContact O-C 3.55Å; Q506-L509 WeakPolarHBondContact O-CA 3.38Å; Q506-L509 VanDerWaalsContact O-CB 3.31Å; Q506-L509 WeakPolarHBondContact O-CB 3.35Å; Q506-L509 PolarHBondContact O-N 2.62Å; Q506-E510 WeakPolarHBondContact O-CG 3.44Å; Q506-E510 PolarHBondContact O-N 3.1Å
507R60.1Low58.9Low168 Ų168107.4 Ų107.463%0.63453%0.532SS*.Hα-helixtrans-56.4-45.7173.3-79.8172.1162.3179.3-2112.2D503 E504 L509 E510 E511D503-R507 PolarHBondContact O-N 3.33Å; E504-R507 PolarHBondContact O-N 2.92Å; E504-R507 WeakPolarHBondContact OE1-CD 3.33Å; E504-R507 IonicContact OE1-CZ 3.7Å; E504-R507 IonicContact OE1-NE 3.88Å; E504-R507 IonicContact OE1-NH1 3.82Å; E504-R507 PolarHBondContact OE1-NH1 3.36Å; E504-R507 IonicContact OE2-NH1 2.87Å; R507-L509 VanDerWaalsContact C-N 3.27Å; R507-L509 PolarHBondContact O-N 2.66Å; R507-E510 PolarHBondContact O-N 2.85Å; R507-E510 VanDerWaalsContact O-N 3.16Å; R507-E511 PolarHBondContact O-N 3.09Å
508Q56.3Low58.4Low129 Ų129110.1 Ų110.160%0.60353%0.531SS*.Hα-helixtrans-61.5-36.1174.5-68.1175.65.600111.9E504 A505 Q506 V512E504-Q508 WeakPolarHBondContact O-CG 3.48Å; E504-Q508 PolarHBondContact O-N 3.25Å; A505-Q508 PolarHBondContact O-N 3.17Å; Q506-Q508 VanDerWaalsContact C-N 3.33Å; Q506-Q508 PolarHBondContact O-N 3.2Å; Q508-V512 WeakPolarHBondContact O-CG2 3.42Å; Q508-V512 PolarHBondContact O-N 2.96Å; Q508-V512 VanDerWaalsContact O-N 3.16Å
509L58.3Low58.7Low97 Ų97108.2 Ų108.251%0.50853%0.529SS..Hα-helixtrans-68.8-35.9174.2-154.690000112.8A505 Q506 R507 V512 R513A505-L509 PolarHBondContact O-N 3.26Å; A505-L509 VanDerWaalsContact O-N 3.13Å; Q506-L509 CarbonylContact O-C 3.55Å; Q506-L509 WeakPolarHBondContact O-CA 3.38Å; Q506-L509 VanDerWaalsContact O-CB 3.31Å; Q506-L509 WeakPolarHBondContact O-CB 3.35Å; Q506-L509 PolarHBondContact O-N 2.62Å; R507-L509 VanDerWaalsContact C-N 3.27Å; R507-L509 PolarHBondContact O-N 2.66Å; L509-V512 WeakPolarHBondContact O-CB 3.25Å; L509-V512 PolarHBondContact O-N 3.06Å; L509-R513 WeakPolarHBondContact O-CG 3.25Å; L509-R513 PolarHBondContact O-N 3.01Å
510E60.6Low58.7Low110 Ų110108.5 Ų108.551%0.51453%0.527SS..Hα-helixtrans-76.7-31.7178.3-61.4-130.3115.200112.5Q506 R507 V512 R513 A514Q506-E510 WeakPolarHBondContact O-CG 3.44Å; Q506-E510 PolarHBondContact O-N 3.1Å; R507-E510 PolarHBondContact O-N 2.85Å; R507-E510 VanDerWaalsContact O-N 3.16Å; E510-V512 VanDerWaalsContact C-N 3.3Å; E510-V512 PolarHBondContact O-N 2.8Å; E510-R513 CarbonylContact O-C 3.59Å; E510-R513 WeakPolarHBondContact O-CA 3.24Å; E510-R513 WeakPolarHBondContact O-CB 3.25Å; E510-R513 PolarHBondContact O-N 2.72Å; E510-R513 VanDerWaalsContact O-N 3.08Å; E510-R513 IonicContact OE1-CZ 3.84Å; E510-R513 IonicContact OE1-NH1 3.6Å; E510-R513 PolarHBondContact OE1-NH1 2.93Å; E510-A514 PolarHBondContact O-N 3.49Å
511E60.9Low58.3Low131 Ų131107.9 Ų107.961%0.61253%0.53SS*.Hα-helixtrans-63.6-37.1168.3-169.3168.1-143.700111.2R507 A514 N515R507-E511 PolarHBondContact O-N 3.09Å; E511-A514 PolarHBondContact O-N 3.39Å; E511-N515 PolarHBondContact O-N 2.83Å; E511-N515 PolarHBondContact O-ND2 2.84Å; E511-N515 VanDerWaalsContact O-ND2 3.17Å
512V60.6Low58Low97 Ų97109.9 Ų109.959%0.58853%0.531SS*.Hα-helixtrans-66.1-35.7168.6170.70000112.2Q508 L509 E510 N515 R516Q508-V512 WeakPolarHBondContact O-CG2 3.42Å; Q508-V512 PolarHBondContact O-N 2.96Å; Q508-V512 VanDerWaalsContact O-N 3.16Å; L509-V512 WeakPolarHBondContact O-CB 3.25Å; L509-V512 PolarHBondContact O-N 3.06Å; E510-V512 VanDerWaalsContact C-N 3.3Å; E510-V512 PolarHBondContact O-N 2.8Å; V512-N515 PolarHBondContact O-N 3.03Å; V512-R516 PolarHBondContact O-N 2.55Å
513R57.2Low58Low141 Ų141109 Ų10953%0.53253%0.53SS..Hα-helixtrans-67.2-40.2172.3-69.9172-178.1169.4-1.4112.3L509 E510 N515 R516 H517L509-R513 WeakPolarHBondContact O-CG 3.25Å; L509-R513 PolarHBondContact O-N 3.01Å; E510-R513 CarbonylContact O-C 3.59Å; E510-R513 WeakPolarHBondContact O-CA 3.24Å; E510-R513 WeakPolarHBondContact O-CB 3.25Å; E510-R513 PolarHBondContact O-N 2.72Å; E510-R513 VanDerWaalsContact O-N 3.08Å; E510-R513 IonicContact OE1-CZ 3.84Å; E510-R513 IonicContact OE1-NH1 3.6Å; E510-R513 PolarHBondContact OE1-NH1 2.93Å; R513-N515 VanDerWaalsContact C-N 3.32Å; R513-N515 PolarHBondContact O-N 2.88Å; R513-R516 WeakPolarHBondContact O-CB 3.42Å; R513-R516 PolarHBondContact O-N 3.45Å; R513-R516 VanDerWaalsContact O-N 3.16Å; R513-H517 PolarHBondContact O-N 3.27Å
514A58Low57.8Low55 Ų55109.9 Ų109.946%0.45554%0.538SS..Hα-helixtrans-61.5-42.117400000110.9E510 E511 H517 R518E510-A514 PolarHBondContact O-N 3.49Å; E511-A514 PolarHBondContact O-N 3.39Å; A514-H517 PolarHBondContact O-N 3.46Å; A514-R518 WeakPolarHBondContact O-CG 3.46Å; A514-R518 PolarHBondContact O-N 2.87Å
515N55.6Low57.2Low71 Ų71107.3 Ų107.338%0.3853%0.533SS..Hα-helixtrans-64.1-37.6172.1-74.5-38000112.9E511 V512 R513 R518 V519E511-N515 PolarHBondContact O-N 2.83Å; E511-N515 PolarHBondContact O-ND2 2.84Å; E511-N515 VanDerWaalsContact O-ND2 3.17Å; V512-N515 PolarHBondContact O-N 3.03Å; R513-N515 VanDerWaalsContact C-N 3.32Å; R513-N515 PolarHBondContact O-N 2.88Å; N515-R518 PolarHBondContact O-N 3.4Å; N515-R518 PolarHBondContact OD1-NH1 3.23Å; N515-V519 PolarHBondContact O-N 3.46Å
516R59Low56.9Low180 Ų180107.4 Ų107.468%0.67953%0.534SS*.Hα-helixtrans-64-42.8171.8178.8175.5167.5172.3-3.2112.4V512 R513 R518 V519 D520V512-R516 PolarHBondContact O-N 2.55Å; R513-R516 WeakPolarHBondContact O-CB 3.42Å; R513-R516 PolarHBondContact O-N 3.45Å; R513-R516 VanDerWaalsContact O-N 3.16Å; R516-R518 VanDerWaalsContact C-N 3.32Å; R516-R518 PolarHBondContact O-N 3.36Å; R516-V519 CarbonylContact O-C 3.58Å; R516-V519 WeakPolarHBondContact O-CA 3.34Å; R516-V519 WeakPolarHBondContact O-CB 3.49Å; R516-V519 PolarHBondContact O-N 3.49Å; R516-D520 PolarHBondContact O-N 2.92Å
517H55.3Low56.7Low133 Ų133109 Ų10962%0.61654%0.541SS*.Hα-helixtrans-73.8-23.7-179.4-124.829.7000113.1R513 A514 V519 D520 Q521R513-H517 PolarHBondContact O-N 3.27Å; A514-H517 PolarHBondContact O-N 3.46Å; H517-V519 VanDerWaalsContact C-N 3.35Å; H517-D520 IonicContact CE1-OD2 2.77Å; H517-D520 IonicContact CG-OD2 2.74Å; H517-D520 IonicContact ND1-OD2 3.53Å; H517-D520 PolarHBondContact ND1-OD2 2.99Å; H517-D520 PolarHBondContact O-N 3.39Å; H517-Q521 WeakPolarHBondContact O-CG 3.33Å; H517-Q521 PolarHBondContact O-N 2.74Å; H517-Q521 VanDerWaalsContact O-N 3.09Å
518R58.3Low56.2Low157 Ų157111.6 Ų111.659%0.59255%0.551SS**Hα-helixtrans-61.5-42162.6-71.1168.761.7-156.91.4111.4A514 N515 R516 Q521 D522A514-R518 WeakPolarHBondContact O-CG 3.46Å; A514-R518 PolarHBondContact O-N 2.87Å; N515-R518 PolarHBondContact O-N 3.4Å; N515-R518 PolarHBondContact OD1-NH1 3.23Å; R516-R518 VanDerWaalsContact C-N 3.32Å; R516-R518 PolarHBondContact O-N 3.36Å; R518-Q521 WeakPolarHBondContact O-CB 3.31Å; R518-Q521 PolarHBondContact O-N 3.33Å; R518-D522 PolarHBondContact O-N 3.37Å
519V62.6Low55.6Low84 Ų84113.1 Ų113.151%0.50956%0.556SS.*Hα-helixtrans-66.2-34.8173.4175.30000112.1N515 R516 H517 Q521 D522 V523N515-V519 PolarHBondContact O-N 3.46Å; R516-V519 CarbonylContact O-C 3.58Å; R516-V519 WeakPolarHBondContact O-CA 3.34Å; R516-V519 WeakPolarHBondContact O-CB 3.49Å; R516-V519 PolarHBondContact O-N 3.49Å; H517-V519 VanDerWaalsContact C-N 3.35Å; V519-Q521 VanDerWaalsContact C-N 3.31Å; V519-Q521 PolarHBondContact O-N 3.11Å; V519-D522 WeakPolarHBondContact O-CB 3.31Å; V519-D522 PolarHBondContact O-N 3.5Å; V519-D522 VanDerWaalsContact O-N 3.14Å; V519-V523 WeakPolarHBondContact O-CG2 3.08Å; V519-V523 PolarHBondContact O-N 3.36Å
520D55.7Low54.7Low61 Ų61113.7 Ų113.733%0.32656%0.559SS.*Hα-helixtrans-64.5-34173.4-66.1-48.7000112.2R516 H517 D522 V523 V524R516-D520 PolarHBondContact O-N 2.92Å; H517-D520 IonicContact CE1-OD2 2.77Å; H517-D520 IonicContact CG-OD2 2.74Å; H517-D520 IonicContact ND1-OD2 3.53Å; H517-D520 PolarHBondContact ND1-OD2 2.99Å; H517-D520 PolarHBondContact O-N 3.39Å; D520-D522 VanDerWaalsContact C-N 3.35Å; D520-V523 PolarHBondContact O-N 3Å; D520-V524 PolarHBondContact O-N 2.86Å
521Q55.4Low54.3Low139 Ų139117.2 Ų117.265%0.6557%0.568SS**Hα-helixtrans-62.5-40.2170.4-68173.3-7.100111.7H517 R518 V519 V524 A525H517-Q521 WeakPolarHBondContact O-CG 3.33Å; H517-Q521 PolarHBondContact O-N 2.74Å; H517-Q521 VanDerWaalsContact O-N 3.09Å; R518-Q521 WeakPolarHBondContact O-CB 3.31Å; R518-Q521 PolarHBondContact O-N 3.33Å; V519-Q521 VanDerWaalsContact C-N 3.31Å; V519-Q521 PolarHBondContact O-N 3.11Å; Q521-V524 PolarHBondContact O-N 2.73Å; Q521-A525 WeakPolarHBondContact O-CB 3.44Å; Q521-A525 PolarHBondContact O-N 2.98Å
522D55.1Low53.2Low113 Ų113119.7 Ų119.760%0.60458%0.579SS**Hα-helixtrans-67.8-32.5176.9-69.7-38.6000112.8R518 V519 D520 A525 A526R518-D522 PolarHBondContact O-N 3.37Å; V519-D522 WeakPolarHBondContact O-CB 3.31Å; V519-D522 PolarHBondContact O-N 3.5Å; V519-D522 VanDerWaalsContact O-N 3.14Å; D520-D522 VanDerWaalsContact C-N 3.35Å; D522-A525 WeakPolarHBondContact O-CB 3.28Å; D522-A525 PolarHBondContact O-N 3.5Å; D522-A526 PolarHBondContact O-N 3.28Å; D522-A526 VanDerWaalsContact O-N 3.11Å
523V56.6Low52Low90 Ų90117.8 Ų117.855%0.54557%0.574SS.*Hα-helixtrans-68.6-39.6174.9173.80000111.8V519 D520 A526 Q527V519-V523 WeakPolarHBondContact O-CG2 3.08Å; V519-V523 PolarHBondContact O-N 3.36Å; D520-V523 PolarHBondContact O-N 3Å; V523-A526 VanDerWaalsContact O-CB 3.3Å; V523-A526 WeakPolarHBondContact O-CB 3.38Å; V523-A526 PolarHBondContact O-N 3.1Å; V523-A526 VanDerWaalsContact O-N 3.1Å; V523-Q527 PolarHBondContact O-N 3.37Å
524V57.2Low51.4Low94 Ų94115.8 Ų115.857%0.5758%0.581SS**Hα-helixtrans-72.9-30.7173.7-179.10000111.3D520 Q521 A526 Q527 R528D520-V524 PolarHBondContact O-N 2.86Å; Q521-V524 PolarHBondContact O-N 2.73Å; V524-A526 PolarHBondContact O-N 3.28Å; V524-Q527 PolarHBondContact O-N 3.12Å; V524-R528 PolarHBondContact O-N 3.11Å; V524-R528 VanDerWaalsContact O-N 3.15Å
525A48.7Very low50.7Low42 Ų42118.9 Ų118.935%0.34760%0.595SS.*Hα-helixtrans-62.8-19.1167.600000113.2Q521 D522 R528Q521-A525 WeakPolarHBondContact O-CB 3.44Å; Q521-A525 PolarHBondContact O-N 2.98Å; D522-A525 WeakPolarHBondContact O-CB 3.28Å; D522-A525 PolarHBondContact O-N 3.5Å; A525-R528 WeakPolarHBondContact O-CB 3.1Å
526A49.3Very low49.9Very low53 Ų53122.5 Ų122.544%0.43861%0.614SS.*Hα-helixtrans-80.1-33.8168.500000113.1D522 V523 V524 R528 K529 L530D522-A526 PolarHBondContact O-N 3.28Å; D522-A526 VanDerWaalsContact O-N 3.11Å; V523-A526 VanDerWaalsContact O-CB 3.3Å; V523-A526 WeakPolarHBondContact O-CB 3.38Å; V523-A526 PolarHBondContact O-N 3.1Å; V523-A526 VanDerWaalsContact O-N 3.1Å; V524-A526 PolarHBondContact O-N 3.28Å; A526-R528 PolarHBondContact O-N 2.7Å; A526-K529 WeakPolarHBondContact O-CB 3.32Å; A526-K529 PolarHBondContact O-N 2.97Å; A526-L530 PolarHBondContact O-N 3.3Å
527Q49.3Very low48.7Very low143 Ų143118.8 Ų118.867%0.66861%0.611SS**Hα-helixtrans-62.8-28.9169.1-77.7-168.8-14.900112.3V523 V524 K529 L530V523-Q527 PolarHBondContact O-N 3.37Å; V524-Q527 PolarHBondContact O-N 3.12Å; Q527-K529 PolarHBondContact O-N 2.88Å; Q527-L530 PolarHBondContact O-N 2.73Å
528R49.7Very low47.8Very low223 Ų223121.7 Ų121.784%0.84262%0.622SS**THydrogen-bonded Turntrans-55-19.4169.3-151.9-175.6-165174.45.8114.2V524 A525 A526V524-R528 PolarHBondContact O-N 3.11Å; V524-R528 VanDerWaalsContact O-N 3.15Å; A525-R528 WeakPolarHBondContact O-CB 3.1Å; A526-R528 PolarHBondContact O-N 2.7Å
529K43.9Very low46.6Very low162 Ų162121 Ų12170%0.70463%0.625SS**THydrogen-bonded Turntrans-105.3-12.4176.5-60.9175.9-179.5173.60113A526 Q527 R531 Q532A526-K529 WeakPolarHBondContact O-CB 3.32Å; A526-K529 PolarHBondContact O-N 2.97Å; Q527-K529 PolarHBondContact O-N 2.88Å; K529-R531 PolarHBondContact O-N 2.55Å; K529-Q532 PolarHBondContact O-OE1 2.82Å
530L39.3Very low44.9Very low108 Ų108126.2 Ų126.257%0.56564%0.636SS**SBendtrans-90.698.7179.6-137.578000109.7A526 Q527A526-L530 PolarHBondContact O-N 3.3Å; Q527-L530 PolarHBondContact O-N 2.73Å
531R51.8Low43.8Very low185 Ų185128.5 Ų128.570%0.69865%0.648SS**  trans67.280.3151.2-65.8165.9-166.4170.43.3113.9K529 A533K529-R531 PolarHBondContact O-N 2.55Å; R531-A533 HydrophobicContact CB-CB 4.45Å; R531-A533 VanDerWaalsContact CB-O 3.25Å; R531-A533 WeakPolarHBondContact CB-O 3.22Å; R531-A533 HydrophobicContact CG-CB 4.34Å
532Q39.7Very low43.4Very low183 Ų183127.1 Ų127.186%0.85565%0.649SS**  cis54.4-0.921-146.5178.816.200114.9K529K529-Q532 PolarHBondContact O-OE1 2.82Å
533A34.5Very low42.3Very low57 Ų57130.5 Ų130.547%0.47166%0.661SS.*  trans-179.286.1-177.100000105R531R531-A533 HydrophobicContact CB-CB 4.45Å; R531-A533 VanDerWaalsContact CB-O 3.25Å; R531-A533 WeakPolarHBondContact CB-O 3.22Å; R531-A533 HydrophobicContact CG-CB 4.34Å
534S44.1Very low40.8Very low99 Ų99133.1 Ų133.169%0.69267%0.669SS**  -151.3142.354.1-73.50000110.5
535T42.9Very low39.8Very low120 Ų120134.8 Ų134.874%0.73668%0.675SS**  5056.260.778.30000112.7
536N39.7Very low39.4Very low146 Ų146142.7 Ų142.778%0.78170%0.696SS**  trans-159142.6136.1-100.3-28.7000113.4
537V34.1Very low38.9Very low102 Ų102147.8 Ų147.862%0.61871%0.714SS**  trans51105.3138.2-179.20000115.5
538K36.1Very low38.3Very low194 Ų194149.8 Ų149.884%0.84373%0.726SS**  62.7169.775.4-60.6170.4178.7177.60112.5
539H33.1Very low38.1Very low142 Ų142150.4 Ų150.466%0.65773%0.729SS**  trans70.5115.4-170.8-91.334.4000112.4
540W27.8Very low38.3Very low194 Ų194148.3 Ų148.374%0.73573%0.731SS**  78.3140.869.7-75.827.1000111.3
541N31.2Very low38.6Very low109 Ų109151.6 Ų151.658%0.58375%0.748SS**  cis-134.9124.9-17.2-100.5-13.1000105.6
542V47Very low38.3Very low111 Ų111146.2 Ų146.267%0.67375%0.75SS**  64.1123.858.7-178.40000111.7
543Q31.5Very low39Very low183 Ų183144.2 Ų144.286%0.85575%0.753SS**SBendtrans10.9107.1146.8-159.1172.32.800117.2
544M26.3Very low39.5Very low146 Ų146145.3 Ų145.372%0.71977%0.769SS**  trans78.9128.4159.6-110.5-62.3117.900120.9
545N35.2Very low39.7Very low129 Ų129148.1 Ų148.169%0.6977%0.772SS**  trans137.7136.3143.1-76.4-66.2000110.8
546R40.9Very low39.9Very low208 Ų208150 Ų15079%0.78577%0.77SS**  cis106.8128.429.3-98.6-175.1167.3179.1-2.7112.3
547L38.1Very low40.5Very low159 Ų159154.4 Ų154.483%0.83278%0.775SS**  trans7794.7159.5-60163.4000120.1
548M37.7Very low41.3Very low186 Ų186154.4 Ų154.492%0.91678%0.777SS**  166.8175.9119.9-84.5-61.1-97.700112.6
549R44.6Very low41.9Very low236 Ų236149.8 Ų149.889%0.89177%0.77SS**  trans-113.1-179.1-178.2-59.8177.3162.1-168.3-4.6111.4
550P48.8Very low42.4Very low117 Ų117151.5 Ų151.576%0.7678%0.783SS**  cis-126.5-153.8-23.233.8-11000111.6
551I45Very low42.9Very low177 Ų177145 Ų14591%0.90878%0.777SS**  cis-152.5171.6-11.8-3.3150.5000109.3
552G45.6Very low42.9Very low72 Ų72145.1 Ų145.174%0.74279%0.785SS**  trans123.4153.915400000118.4
553P54.3Low42.2Very low141 Ų141144.4 Ų144.492%0.91679%0.786SS**  trans-134.1164.5-168.241.8-25000120.4
554G45.7Very low42.1Very low80 Ų80143.8 Ų143.883%0.82578%0.78SS**  trans166.8161.8168.100000117.8
555E48.1Very low42.3Very low159 Ų159145.1 Ų145.174%0.74379%0.785SS**  trans-159.4156.3-170.9-134.3-158.1177.900121.6
556K47.9Very low41.9Very low159 Ų159142.9 Ų142.969%0.69178%0.78SS**  trans68.6132.4147.7-87.2178.9-171.3119.60129.1
557R51.4Low41.2Very low238 Ų238141.8 Ų141.890%0.89878%0.781SS**  trans54174.7144.2-95.1-171.8-177.6-173.92.3121.1
558P51.2Low40.5Very low102 Ų102142.4 Ų142.466%0.66278%0.78SS**  cis-137.1-177.8-34.141.1-23.5000116.1
559S48.8Very low40.5Very low98 Ų98140.8 Ų140.869%0.68577%0.773SS**  trans67.2150.7149.3720000124.1
560L44.1Very low40.7Very low177 Ų177134.6 Ų134.693%0.92776%0.763SS**  trans58165160.3-76.1155.1000117.4
561G36.6Very low40Very low59 Ų59135.1 Ų135.161%0.60876%0.764SS**  cis168.3175.8-6.400000112.2
562S32.3Very low39.4Very low110 Ų110133.5 Ų133.577%0.76975%0.753SS**  trans43.2138151.3-163.90000123
563S31.4Very low38.6Very low97 Ų97139.9 Ų139.968%0.67876%0.755SS**  171.2130.1120.2-80.40000118.3
564F30.5Very low37.7Very low169 Ų169140.1 Ų140.174%0.74175%0.748SS**  trans51.9128.3136.1-62.4-60.6000127
565Q30.6Very low38.4Very low174 Ų174141.8 Ų141.881%0.81375%0.745SS**  74.7152.6129.3-73.8171.72.100121
566S25.3Very low37.8Very low83 Ų83137.5 Ų137.558%0.5874%0.743SS**  cis-169.6171.6-5.645.30000114.2
567F26.2Very low37.3Very low184 Ų184137.2 Ų137.281%0.80775%0.748SS**  trans69.2153.6165.5-63.6-70.6000118.7
568Q25Very low36.5Very low173 Ų173136.4 Ų136.481%0.80875%0.745SS**  cis-149-172.40.3-143.1162.214.700114.3
569I36.7Very low35.7Very low151 Ų151139 Ų13977%0.77475%0.753SS**  trans-103.5150.2-166-78.7166.7000110.8
570P48.4Very low34.6Very low106 Ų106146 Ų14669%0.68876%0.764SS**  -163.6144.279.741.2-17.2000123.1
571T34.8Very low34.2Very low128 Ų128148.6 Ų148.679%0.78576%0.762SS**  trans60162.5141.565.20000121.3
572Q31.6Very low34.1Very low143 Ų143155 Ų15567%0.66877%0.773SS**  cis-155.8151.27.9-146.9-173101.900113.2
573R29.9Very low34.2Very low207 Ų207154.3 Ų154.378%0.78177%0.768SS**  trans34138.1152.2-73.6174.3177.6152.2-6.4123.4
574D36.1Very low34.1Very low146 Ų146153.3 Ų153.378%0.78177%0.772SS**  83157.852.5-109.1-25.4000115.3
575P59.1Low34.1Very low115 Ų115149.8 Ų149.875%0.74777%0.769SS**  cis-144.8166-5.739.2-19.2000120
576G35.6Very low34.1Very low69 Ų69149.9 Ų149.971%0.71177%0.769SS**  trans90.7165.114900000119.5
577L36.9Very low34.5Very low152 Ų152151.4 Ų151.480%0.79677%0.771SS**  cis179.9155.2-5-106.2172.1000106.9
578R34.6Very low34.8Very low222 Ų222150.3 Ų150.384%0.83877%0.768SS**  cis-148.91709.4-77.8170.7-172.4164.92.4108.1
579L34.5Very low35Very low156 Ų156146.2 Ų146.282%0.81776%0.759SS**  cis108.497.27.3-156.1179.5000117
580R27.3Very low34.8Very low244 Ų244147.5 Ų147.592%0.92176%0.762SS**  trans-157.4165.8152.9-162.4157.8-174.9-171.20.8114.4
581R35.1Very low34.1Very low233 Ų233149 Ų14988%0.87976%0.759SS**  trans-159.7145.3-166.2-177.6-168.2-166.2-1627.6112.3
582K33.6Very low34Very low193 Ų193146.4 Ų146.484%0.83975%0.747SS**  trans155.2167.1158.3-97.1-161.8167.1-159.10112.1
583S33.8Very low34.1Very low96 Ų96146.2 Ų146.267%0.67174%0.744SS**  cis176.1135.7-42.456.80000113.4
584G29.7Very low34.3Very low75 Ų75143 Ų14377%0.77374%0.737SS**  trans87.3166.5164.600000117.2
585S30.7Very low34.1Very low96 Ų96141.7 Ų141.767%0.67173%0.73SS**  cis179.5148.4-1841.70000111.6
586E31.5Very low33Very low175 Ų175141.8 Ų141.882%0.81873%0.729SS**  trans64.5158.2153.1-72.4149.5-168.700118.4
587D34.1Very low32.9Very low116 Ų116144.9 Ų144.962%0.6273%0.729SS**  cis-161.5168.5-7.6-135.5-35.5000113.6
588Q32Very low32.7Very low160 Ų160142.9 Ų142.975%0.74872%0.719SS**  trans45.7162.6145.8-82.1159.566.200123.3
589S29.7Very low32.6Very low88 Ų88142 Ų14262%0.61572%0.716SS**  cis-173157.3-9.549.40000113
590E32.4Very low32.5Very low178 Ų178141.1 Ų141.183%0.83272%0.717SS**  trans60.6162.4139.2-84-179.4-15900122.7
591E32.8Very low32.7Very low136 Ų136132.9 Ų132.964%0.63671%0.708SS**  cis-163.2169.4-22.6-153-155.6-163.600109.2K593E591-K593 IonicContact OE1-NZ 3.8Å; E591-K593 IonicContact OE2-NZ 2.73Å; E591-K593 PolarHBondContact OE2-NZ 3.29Å
592S32.5Very low32.5Very low74 Ų74127.7 Ų127.752%0.51771%0.706SS.*  trans67.8161.2143-84.80000121.9
593K34.3Very low32.5Very low140 Ų140124.5 Ų124.561%0.60970%0.698SS**  cis-165.5168.6-12.7-119172-172.696.40112.8E591E591-K593 IonicContact OE1-NZ 3.8Å; E591-K593 IonicContact OE2-NZ 2.73Å; E591-K593 PolarHBondContact OE2-NZ 3.29Å
594E32.9Very low32.5Very low138 Ų138126.2 Ų126.265%0.64570%0.699SS**  trans16.2163132.3-70.7178.4109.200121.8
595N33.9Very low32.7Very low119 Ų119129.1 Ų129.164%0.63669%0.692SS**  cis-165.1144.35.7-112.7-15.3000109.1
596V35.1Very low32.8Very low117 Ų117130.7 Ų130.771%0.70969%0.687SS**  85131.584.9161.90000118
597D33.7Very low33Very low135 Ų135131.3 Ų131.372%0.72268%0.682SS**  trans103.8118143.6-109.413.8000127.4
598N32.5Very low32.9Very low110 Ų110133 Ų13359%0.58869%0.686SS**  95.2138117.7-106.7-33.9000127.7
599R31.8Very low33Very low203 Ų203129.7 Ų129.777%0.76668%0.68SS**  trans87.1112.9139.7-85.6163.2-162.6-137.20.6125.3
600T32.4Very low33.2Very low138 Ų138133.9 Ų133.985%0.84769%0.69SS**  44.8139.5129.456.70000121.9
601G31.4Very low33.4Very low70 Ų70129.8 Ų129.872%0.72269%0.686SS**  cis136.4144.7-300000113.9
602C32.3Very low33.4Very low124 Ų124128.6 Ų128.684%0.83869%0.693SS**  trans64.9155.1166.5-70.20000117.9
603D33.2Very low33.7Very low127 Ų127132.7 Ų132.768%0.67971%0.709SS**  cis-161.6178.4-21.7-124.8-42.3000113.7
604L34Very low33.7Very low131 Ų131129.3 Ų129.369%0.68671%0.714SS**  trans-15.8165.2140.3-73.8162.6000117.7
605E33.8Very low33.7Very low136 Ų136130.4 Ų130.464%0.63672%0.724SS**  cis-146.2162.615.1-87.7-134.4160.900109.8
606K33.5Very low34.3Very low130 Ų130132 Ų13257%0.56573%0.73SS**  cis112.21328.8-179.6-145.7-165-175.60113.3
607R34.3Very low34.7Very low188 Ų188132.8 Ų132.871%0.70973%0.73SS**  trans72141160.8-86.4173.1170.8-165.6-3.4122.8
608H32.6Very low35.1Very low152 Ų152133.2 Ų133.270%0.70473%0.731SS**  trans66.7164.3136-65.7-21.4000120.4
609S34.8Very low36.5Very low89 Ų89137.3 Ų137.362%0.62276%0.763SS**  cis-170.7172-23.756.10000112.9
610H33.7Very low36.7Very low176 Ų176134 Ų13482%0.81576%0.763SS**  trans63.3113.9151.1-81.3-71.9000124.1
611A35.5Very low37Very low92 Ų92133.8 Ų133.876%0.7676%0.759SS**  45.7137.611800000123.9
612S34.1Very low37.3Very low111 Ų111137.3 Ų137.378%0.77676%0.761SS**  -170.1168.2117.7-153.60000114.6
613N36.8Very low37.6Very low161 Ų161138.1 Ų138.186%0.86176%0.756SS**  trans-46.4171179.3-55.2-13.5000117.7
614G35.9Very low37.8Very low69 Ų69138.8 Ų138.871%0.71176%0.761SS**  cis164.7-158.7-1.100000114.1
615D33.2Very low38.1Very low160 Ų160139.3 Ų139.386%0.85677%0.766SS**  trans71.7127.2171.4-73.2-28000122.8
616M45.3Very low38.4Very low153 Ų153139.6 Ų139.675%0.75478%0.775SS**  36.8151.5121.7-53.4-70.2-85.400120.2
617D43Very low38.8Very low133 Ų133140.3 Ų140.371%0.71179%0.792SS**  cis-156.1179.727.4-139.9-33.7000113.1
618I42.3Very low39.2Very low145 Ų145136.3 Ų136.374%0.74480%0.798SS**  trans-124.9140.5179.6-55.9169.6000110.9
619P62.5Low39.7Very low195 Ų195134.9 Ų134.9100%1.26681%0.807SS**  -124.40122.1-1.823000114

Retrieved 619 of 619 residues in 1808.2 ms (Link to these results)

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