A0A087Y755_POEFO Loading...

U2 small nuclear RNA auxiliary factor 1

AlphaFold DB , UniProt , Accession A0A087Y755, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 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
1M54.4Low61.7Low198 Ų19894.4 Ų94.498%0.97551%0.506SS*.  0-45.20-153.3140.7-17000112.1Y4 L5M1-Y4 PolarHBondContact O-N 3.49Å; M1-L5 WeakPolarHBondContact O-CG 3.44Å; M1-L5 PolarHBondContact O-N 3.11Å
2A57.4Low62.4Low77 Ų7798.8 Ų98.864%0.63652%0.521SS*.Hα-helixtrans-60.5-42.8174.600000114.2Y4 L5 A6A2-Y4 VanDerWaalsContact C-N 3.34Å; A2-Y4 PolarHBondContact O-N 3.22Å; A2-L5 PolarHBondContact O-N 2.9Å; A2-A6 WeakPolarHBondContact O-CB 3.28Å; A2-A6 PolarHBondContact O-N 3Å
3E60Low63.2Low174 Ų174102.5 Ų102.581%0.81353%0.53SS*.Hα-helixtrans-64.2-35.9177.8-67.6-178.8155.300113.3S7E3-S7 WeakPolarHBondContact O-CB 3.39Å; E3-S7 PolarHBondContact O-N 3.14Å
4Y60.9Low64.2Low162 Ų16296.1 Ų96.164%0.63550%0.497SS*.Hα-helixtrans-67.8-42.4176.6-176.6-106.3000111.3M1 A2 S7 I8M1-Y4 PolarHBondContact O-N 3.49Å; A2-Y4 VanDerWaalsContact C-N 3.34Å; A2-Y4 PolarHBondContact O-N 3.22Å; Y4-S7 PolarHBondContact O-N 3.04Å; Y4-S7 PolarHBondContact O-OG 3.43Å; Y4-I8 HydrophobicContact CD1-CD1 3.77Å; Y4-I8 HydrophobicContact CE1-CD1 3.39Å; Y4-I8 HydrophobicContact CE2-CD1 4.27Å; Y4-I8 HydrophobicContact CG-CD1 4.36Å; Y4-I8 WeakPolarHBondContact O-CD1 3.36Å; Y4-I8 WeakPolarHBondContact O-CG1 3.35Å; Y4-I8 PolarHBondContact O-N 3.35Å
5L60.5Low65.2Low105 Ų105102.1 Ų102.155%0.5552%0.518SS..Hα-helixtrans-67.5-39.4176.3-67172000112.1M1 A2 S7 I8 F9M1-L5 WeakPolarHBondContact O-CG 3.44Å; M1-L5 PolarHBondContact O-N 3.11Å; A2-L5 PolarHBondContact O-N 2.9Å; L5-S7 VanDerWaalsContact C-N 3.26Å; L5-S7 PolarHBondContact O-N 2.82Å; L5-I8 PolarHBondContact O-N 2.69Å; L5-I8 VanDerWaalsContact O-N 3.13Å; L5-F9 PolarHBondContact O-N 2.96Å
6A61.1Low66.6Low73 Ų73101.3 Ų101.360%0.60352%0.519SS*.Hα-helixtrans-63.7-30.8173.300000112.6A2 I8A2-A6 WeakPolarHBondContact O-CB 3.28Å; A2-A6 PolarHBondContact O-N 3Å; A6-I8 PolarHBondContact O-N 2.71Å
7S62.2Low67.8Low53 Ų5396.7 Ų96.737%0.37150%0.496SS..THydrogen-bonded Turntrans-74.2-12.3175.880.50000114.4E3 Y4 L5 T11E3-S7 WeakPolarHBondContact O-CB 3.39Å; E3-S7 PolarHBondContact O-N 3.14Å; Y4-S7 PolarHBondContact O-N 3.04Å; Y4-S7 PolarHBondContact O-OG 3.43Å; L5-S7 VanDerWaalsContact C-N 3.26Å; L5-S7 PolarHBondContact O-N 2.82Å; S7-T11 PolarHBondContact O-OG1 3.31Å
8I64.8Low69.2Low36 Ų3691.6 Ų91.619%0.18547%0.47CS..THydrogen-bonded Turntrans-104-47.7-177.4-66.3167.6000109.7Y4 L5 A6 G10 T11 D14Y4-I8 HydrophobicContact CD1-CD1 3.77Å; Y4-I8 HydrophobicContact CE1-CD1 3.39Å; Y4-I8 HydrophobicContact CE2-CD1 4.27Å; Y4-I8 HydrophobicContact CG-CD1 4.36Å; Y4-I8 WeakPolarHBondContact O-CD1 3.36Å; Y4-I8 WeakPolarHBondContact O-CG1 3.35Å; Y4-I8 PolarHBondContact O-N 3.35Å; L5-I8 PolarHBondContact O-N 2.69Å; L5-I8 VanDerWaalsContact O-N 3.13Å; A6-I8 PolarHBondContact O-N 2.71Å; I8-G10 PolarHBondContact O-N 3.45Å; I8-T11 WeakPolarHBondContact O-CB 3.23Å; I8-T11 PolarHBondContact O-N 3.22Å; I8-T11 PolarHBondContact O-OG1 3.47Å; I8-D14 HydrophobicContact CG2-CB 4.02Å; I8-D14 WeakPolarHBondContact O-CB 3.42Å
9F66.6Low70.3Confident116 Ų11687.1 Ų87.151%0.50945%0.448SS..THydrogen-bonded Turntrans-58.8128.3-173.8-163.6-100.7000112.2L5 T11 F22L5-F9 PolarHBondContact O-N 2.96Å; F9-T11 PolarHBondContact O-N 2.91Å; F9-F22 HydrophobicContact CD1-CE2 4.33Å; F9-F22 HydrophobicContact CD1-CZ 4.06Å; F9-F22 HydrophobicContact CE1-CD2 4.35Å; F9-F22 AromaticContact CE1-CE2 3.55Å; F9-F22 HydrophobicContact CE1-CE2 3.55Å; F9-F22 AromaticContact CE1-CZ 3.69Å; F9-F22 HydrophobicContact CE1-CZ 3.69Å; F9-F22 HydrophobicContact CZ-CE2 4.23Å
10G61.3Low71.2Confident4 Ų485.8 Ų85.84%0.04144%0.439CS..THydrogen-bonded Turntrans73.16.1-178.600000115.3I8 K23I8-G10 PolarHBondContact O-N 3.45Å; G10-K23 WeakPolarHBondContact O-CE 3.46Å
11T69.7Low72.2Confident40 Ų4082.2 Ų82.225%0.24542%0.42CS..SBendtrans-108.6168.6176.3760000111.5S7 I8 F9 K13 D14S7-T11 PolarHBondContact O-OG1 3.31Å; I8-T11 WeakPolarHBondContact O-CB 3.23Å; I8-T11 PolarHBondContact O-N 3.22Å; I8-T11 PolarHBondContact O-OG1 3.47Å; F9-T11 PolarHBondContact O-N 2.91Å; T11-K13 PolarHBondContact O-N 2.88Å; T11-K13 VanDerWaalsContact O-N 3.08Å; T11-K13 WeakPolarHBondContact OG1-CB 3.49Å; T11-K13 PolarHBondContact OG1-N 3.39Å; T11-D14 WeakPolarHBondContact O-CB 3.07Å; T11-D14 PolarHBondContact O-N 3.07Å
12E70.4Confident73.9Confident147 Ų14776.5 Ų76.569%0.68739%0.39SS*.THydrogen-bonded Turntrans-63.2-13.9175.6-60.3-176.4166.400113.8D14E12-D14 VanDerWaalsContact C-N 3.29Å
13K71.9Confident75.5Confident148 Ų14876 Ų7664%0.64337%0.373SS*.THydrogen-bonded Turntrans-75.6-20.7175.3-60.5179.6-179.7175.20112.2T11 K15T11-K13 PolarHBondContact O-N 2.88Å; T11-K13 VanDerWaalsContact O-N 3.08Å; T11-K13 WeakPolarHBondContact OG1-CB 3.49Å; T11-K13 PolarHBondContact OG1-N 3.39Å; K13-K15 PolarHBondContact O-N 3.48Å
14D77.8Confident77Confident13 Ų1367.8 Ų67.87%0.0734%0.335CS..  trans-72.5108170.3-164.8-23.1000109.2I8 T11 E12 V16 N17I8-D14 HydrophobicContact CG2-CB 4.02Å; I8-D14 WeakPolarHBondContact O-CB 3.42Å; T11-D14 WeakPolarHBondContact O-CB 3.07Å; T11-D14 PolarHBondContact O-N 3.07Å; E12-D14 VanDerWaalsContact C-N 3.29Å; D14-V16 VanDerWaalsContact C-N 3.31Å; D14-V16 WeakPolarHBondContact OD1-CB 3.45Å; D14-V16 PolarHBondContact OD1-N 3.46Å; D14-N17 PolarHBondContact OD1-N 2.84Å; D14-N17 WeakPolarHBondContact OD2-CB 3.49Å; D14-N17 PolarHBondContact OD2-ND2 3.13Å
15K79.6Confident78.5Confident186 Ų18660.1 Ų60.181%0.80931%0.305SS*.SBendtrans-82.9-11.6179-65.5-174.9179.7-178.30112.6K13K13-K15 PolarHBondContact O-N 3.48Å
16V86.8Confident80Confident88 Ų8855.7 Ų55.753%0.53328%0.284SS..SBendtrans-96.3-50.2-176.1179.60000110.1D14 L36D14-V16 VanDerWaalsContact C-N 3.31Å; D14-V16 WeakPolarHBondContact OD1-CB 3.45Å; D14-V16 PolarHBondContact OD1-N 3.46Å; V16-L36 HydrophobicContact CG1-CD1 3.82Å; V16-L36 HydrophobicContact CG1-CG 4.44Å; V16-L36 PolarHBondContact O-N 3.49Å
17N87.9Confident81.6Confident24 Ų2452.8 Ų52.813%0.12826%0.259CS..BIsolated β-bridgetrans-91146-177.8-58.6-55.8000112D14 S19 R35 N38D14-N17 PolarHBondContact OD1-N 2.84Å; D14-N17 WeakPolarHBondContact OD2-CB 3.49Å; D14-N17 PolarHBondContact OD2-ND2 3.13Å; N17-S19 PolarHBondContact O-N 3.47Å; N17-R35 WeakPolarHBondContact O-CD 3.45Å; N17-N38 PolarHBondContact OD1-ND2 3.3Å
18C91.8Very high83Confident5 Ų557.4 Ų57.43%0.03427%0.268CS..  trans-74.7111.1174-172.60000110F20 Y21 F22 R35 L36 H37C18-F20 VanDerWaalsContact C-N 3.27Å; C18-F20 PolarHBondContact O-N 3.36Å; C18-Y21 PolarHBondContact O-N 2.91Å; C18-F22 PolarHBondContact O-N 3.42Å; C18-R35 HydrophobicContact CB-CB 3.79Å; C18-L36 WeakPolarHBondContact CB-O 3.44Å; C18-L36 PolarHBondContact N-O 2.94Å; C18-H37 WeakPolarHBondContact CB-CD2 3.5Å; C18-H37 WeakPolarHBondContact CB-NE2 3.48Å; C18-H37 PolarHBondContact SG-NE2 3.02Å; C18-H37 VanDerWaalsContact SG-NE2 3.39Å
19S89.6Confident84.3Confident6 Ų659.5 Ų59.54%0.04228%0.277CS..Hα-helixtrans-59-38.6177.255.50000112.5N17 F22 K23N17-S19 PolarHBondContact O-N 3.47Å; S19-F22 PolarHBondContact O-N 3.36Å; S19-K23 WeakPolarHBondContact O-CB 3.39Å; S19-K23 WeakPolarHBondContact O-CG 3.43Å; S19-K23 PolarHBondContact O-N 3.34Å
20F90.1Very high85.4Confident61 Ų6155.5 Ų55.527%0.26827%0.269SS..Hα-helixtrans-67.6-45.8179.1-73.8-73.9000112.4C18 F22 K23 I24 A26 N170 F171C18-F20 VanDerWaalsContact C-N 3.27Å; C18-F20 PolarHBondContact O-N 3.36Å; F20-F22 VanDerWaalsContact C-N 3.3Å; F20-F22 PolarHBondContact O-N 3.4Å; F20-K23 PolarHBondContact O-N 2.94Å; F20-I24 HydrophobicContact CD1-CG1 4.24Å; F20-I24 WeakPolarHBondContact O-CA 3.33Å; F20-I24 WeakPolarHBondContact O-CB 3.37Å; F20-I24 VanDerWaalsContact O-CG1 3.24Å; F20-I24 WeakPolarHBondContact O-CG1 3.37Å; F20-I24 PolarHBondContact O-N 2.89Å; F20-A26 CarbonylContact C-O 3.59Å; F20-N170 HydrophobicContact CD1-CB 3.81Å; F20-N170 HydrophobicContact CE1-CB 3.68Å; F20-N170 HydrophobicContact CZ-CB 4.38Å; F20-F171 HydrophobicContact CE1-CE2 4.38Å; F20-F171 HydrophobicContact CE1-CZ 4.37Å
21Y91.9Very high86.6Confident11 Ų1162.8 Ų62.84%0.04331%0.307CS..Hα-helixtrans-62.5-41.8176.6-177.1-99.9000111.2C18 K23 G25 H37 K39 P146C18-Y21 PolarHBondContact O-N 2.91Å; Y21-K23 PolarHBondContact O-N 3.13Å; Y21-G25 WeakPolarHBondContact CE2-O 3.18Å; Y21-G25 WeakPolarHBondContact O-CA 3.49Å; Y21-G25 PolarHBondContact O-N 2.74Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.23Å; Y21-H37 HydrophobicContact CD1-CB 3.74Å; Y21-H37 HydrophobicContact CD2-CB 4.23Å; Y21-H37 HydrophobicContact CE1-CB 4.02Å; Y21-H37 HydrophobicContact CE2-CB 4.5Å; Y21-H37 HydrophobicContact CG-CB 3.86Å; Y21-H37 AromaticContact CG-CD2 3.73Å; Y21-H37 AromaticContact CG-CG 3.71Å; Y21-K39 WeakPolarHBondContact OH-CG 3.12Å; Y21-P146 HydrophobicContact CD1-CG 4.26Å; Y21-P146 HydrophobicContact CE1-CG 3.94Å; Y21-P146 WeakPolarHBondContact O-CG 3.36Å
22F90.3Very high87.7Confident78 Ų7871.5 Ų71.534%0.34234%0.335SS..Hα-helixtrans-62.9-44.6178.8-174.4-99.2000112.9F9 C18 S19 F20F9-F22 HydrophobicContact CD1-CE2 4.33Å; F9-F22 HydrophobicContact CD1-CZ 4.06Å; F9-F22 HydrophobicContact CE1-CD2 4.35Å; F9-F22 AromaticContact CE1-CE2 3.55Å; F9-F22 HydrophobicContact CE1-CE2 3.55Å; F9-F22 AromaticContact CE1-CZ 3.69Å; F9-F22 HydrophobicContact CE1-CZ 3.69Å; F9-F22 HydrophobicContact CZ-CE2 4.23Å; C18-F22 PolarHBondContact O-N 3.42Å; S19-F22 PolarHBondContact O-N 3.36Å; F20-F22 VanDerWaalsContact C-N 3.3Å; F20-F22 PolarHBondContact O-N 3.4Å
23K89.9Confident88.8Confident66 Ų6665.7 Ų65.729%0.28731%0.31SS..Hα-helixtrans-82.3-36.4-176.3-68.9-170.5176.8-130.90114.2G10 S19 F20 Y21 E152 A153G10-K23 WeakPolarHBondContact O-CE 3.46Å; S19-K23 WeakPolarHBondContact O-CB 3.39Å; S19-K23 WeakPolarHBondContact O-CG 3.43Å; S19-K23 PolarHBondContact O-N 3.34Å; F20-K23 PolarHBondContact O-N 2.94Å; Y21-K23 PolarHBondContact O-N 3.13Å; K23-E152 IonicContact NZ-OE2 2.8Å; K23-E152 PolarHBondContact NZ-OE2 3.39Å; K23-A153 WeakPolarHBondContact O-CB 3.34Å
24I92.3Very high89.7Confident1 Ų164.5 Ų64.51%0.00532%0.321CS..Hα-helixtrans-107.7-16.1-169.5-39.6-58.6000111.1F20 A26 L109 Y114 V147 A153 F171 M172F20-I24 HydrophobicContact CD1-CG1 4.24Å; F20-I24 WeakPolarHBondContact O-CA 3.33Å; F20-I24 WeakPolarHBondContact O-CB 3.37Å; F20-I24 VanDerWaalsContact O-CG1 3.24Å; F20-I24 WeakPolarHBondContact O-CG1 3.37Å; F20-I24 PolarHBondContact O-N 2.89Å; I24-A26 PolarHBondContact O-N 3.03Å; I24-L109 HydrophobicContact CG2-CD1 4.36Å; I24-L109 HydrophobicContact CG2-CD2 3.85Å; I24-Y114 PolarHBondContact O-OH 3.28Å; I24-Y114 VanDerWaalsContact O-OH 3.08Å; I24-V147 WeakPolarHBondContact O-CG2 3.21Å; I24-A153 VanDerWaalsContact CD1-CA 3.46Å; I24-A153 HydrophobicContact CD1-CB 3.84Å; I24-F171 HydrophobicContact CD1-CD1 3.92Å; I24-F171 HydrophobicContact CD1-CE1 4.29Å; I24-M172 HydrophobicContact CG2-CE 3.77Å; I24-M172 HydrophobicContact CG2-CG 3.85Å; I24-M172 WeakPolarHBondContact O-CE 3.5Å
25G91.5Very high90.4Very high2 Ų268 Ų682%0.02133%0.333CS..SBendtrans706.9-172.700000113.4Y21 V147Y21-G25 WeakPolarHBondContact CE2-O 3.18Å; Y21-G25 WeakPolarHBondContact O-CA 3.49Å; Y21-G25 PolarHBondContact O-N 2.74Å; G25-V147 VanDerWaalsContact N-CG2 3.31Å
26A92.9Very high90.9Very high11 Ų1163.9 Ų63.99%0.09132%0.319CS..  trans-144.8150.7-179.300000111.1F20 I24 H108 L109F20-A26 CarbonylContact C-O 3.59Å; I24-A26 PolarHBondContact O-N 3.03Å; A26-H108 VanDerWaalsContact CB-O 3.32Å; A26-H108 WeakPolarHBondContact CB-O 3.09Å; A26-L109 HydrophobicContact CB-CD2 3.67Å; A26-L109 HydrophobicContact CB-CG 4.25Å
27C93.5Very high91.2Very high13 Ų1361.8 Ų61.89%0.08830%0.303CS..  trans-139.5133.1176.5-176.20000110.2H29 G30 H37C27-H29 PolarHBondContact O-N 3.14Å; C27-G30 PolarHBondContact O-N 3.26Å; C27-H37 WeakPolarHBondContact CB-CE1 3.22Å; C27-H37 WeakPolarHBondContact CB-NE2 3.34Å
28R92.3Very high91.2Very high150 Ų15064.9 Ų64.957%0.56632%0.32SS*.THydrogen-bonded Turntrans-56.7-22.1176.673.5-179.6-171.3-173-0.9115
29H91.7Very high91.1Very high79 Ų7970.5 Ų70.537%0.36634%0.344SS..THydrogen-bonded Turntrans-91.4-9.8179.3-50.5123.2000112.8C27 D31 R32 C33C27-H29 PolarHBondContact O-N 3.14Å; H29-D31 PolarHBondContact O-N 2.8Å; H29-R32 WeakPolarHBondContact O-CA 3.37Å; H29-R32 WeakPolarHBondContact O-CB 3.23Å; H29-R32 PolarHBondContact O-N 2.82Å; H29-C33 HydrophobicContact CB-CB 3.91Å
30G89.8Confident91.2Very high32 Ų3271.8 Ų71.833%0.3335%0.352SS..G310 helixtrans49.7-133.2-175.800000111.8C27 R32 C33 H37C27-G30 PolarHBondContact O-N 3.26Å; G30-R32 PolarHBondContact O-N 3.42Å; G30-C33 WeakPolarHBondContact O-CB 3.32Å; G30-C33 PolarHBondContact O-N 3.28Å; G30-H37 PolarHBondContact O-CE1 2.99Å; G30-H37 PolarHBondContact O-ND1 3.31Å
31D87.8Confident91.2Very high158 Ų15874.3 Ų74.385%0.84537%0.373SS*.G310 helixtrans-70.9-11.3179.4-55.6-43.2000114H29 C33H29-D31 PolarHBondContact O-N 2.8Å; D31-C33 VanDerWaalsContact C-N 3.27Å
32R92.1Very high91.2Very high222 Ų22280.3 Ų80.384%0.83840%0.399SS*.G310 helixtrans-87.77.2175.3-59.8-172.5-65.1-89.5-0.4112.9H29 G30H29-R32 WeakPolarHBondContact O-CA 3.37Å; H29-R32 WeakPolarHBondContact O-CB 3.23Å; H29-R32 PolarHBondContact O-N 2.82Å; G30-R32 PolarHBondContact O-N 3.42Å
33C92.4Very high91.3Very high25 Ų2577.2 Ų77.217%0.16939%0.387CS..  trans-63.6136.6177.1-164.70000110.7H29 G30 D31 R35 H37H29-C33 HydrophobicContact CB-CB 3.91Å; G30-C33 WeakPolarHBondContact O-CB 3.32Å; G30-C33 PolarHBondContact O-N 3.28Å; D31-C33 VanDerWaalsContact C-N 3.27Å; C33-R35 PolarHBondContact O-N 2.88Å; C33-H37 WeakPolarHBondContact CB-CE1 3.26Å; C33-H37 WeakPolarHBondContact CB-NE2 3.45Å; C33-H37 PolarHBondContact SG-NE2 3.39Å; C33-H37 VanDerWaalsContact SG-NE2 3.36Å
34S92.1Very high91.6Very high123 Ų12377 Ų7786%0.8639%0.387SS*.SBendtrans-74.5-12.817555.80000113.5
35R91.9Very high91.8Very high88 Ų8877 Ų7733%0.33239%0.387SS..SBendtrans-106.5154.9177.3-60.3-175.1-172-178.35110.1N17 C18 C33N17-R35 WeakPolarHBondContact O-CD 3.45Å; C18-R35 HydrophobicContact CB-CB 3.79Å; C33-R35 PolarHBondContact O-N 2.88Å
36L91.2Very high92.1Very high98 Ų9877 Ų7751%0.51339%0.386SS..BIsolated β-bridgetrans-72.4136.5-176.2-62.8179.4000112.5V16 C18V16-L36 HydrophobicContact CG1-CD1 3.82Å; V16-L36 HydrophobicContact CG1-CG 4.44Å; V16-L36 PolarHBondContact O-N 3.49Å; C18-L36 WeakPolarHBondContact CB-O 3.44Å; C18-L36 PolarHBondContact N-O 2.94Å
37H92.9Very high92.2Very high44 Ų4476.4 Ų76.420%0.20438%0.382CS..  trans-105.794.6170.2-66.1170.2000108.7C18 Y21 C27 G30 C33 K39C18-H37 WeakPolarHBondContact CB-CD2 3.5Å; C18-H37 WeakPolarHBondContact CB-NE2 3.48Å; C18-H37 PolarHBondContact SG-NE2 3.02Å; C18-H37 VanDerWaalsContact SG-NE2 3.39Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.23Å; Y21-H37 HydrophobicContact CD1-CB 3.74Å; Y21-H37 HydrophobicContact CD2-CB 4.23Å; Y21-H37 HydrophobicContact CE1-CB 4.02Å; Y21-H37 HydrophobicContact CE2-CB 4.5Å; Y21-H37 HydrophobicContact CG-CB 3.86Å; Y21-H37 AromaticContact CG-CD2 3.73Å; Y21-H37 AromaticContact CG-CG 3.71Å; C27-H37 WeakPolarHBondContact CB-CE1 3.22Å; C27-H37 WeakPolarHBondContact CB-NE2 3.34Å; G30-H37 PolarHBondContact O-CE1 2.99Å; G30-H37 PolarHBondContact O-ND1 3.31Å; C33-H37 WeakPolarHBondContact CB-CE1 3.26Å; C33-H37 WeakPolarHBondContact CB-NE2 3.45Å; C33-H37 PolarHBondContact SG-NE2 3.39Å; C33-H37 VanDerWaalsContact SG-NE2 3.36Å; H37-K39 PolarHBondContact O-N 3.3Å; H37-K39 VanDerWaalsContact O-N 3.14Å
38N88Confident92.3Very high90 Ų9075.9 Ų75.948%0.48138%0.378SS..  trans-81.695.5179.5-63-30.2000109.3N17N17-N38 PolarHBondContact OD1-ND2 3.3Å
39K89.9Confident92.3Very high123 Ų12371.4 Ų71.454%0.53537%0.365SS..  trans-64.8123.6173.4-57.9-154.3174.5-161.50109Y21 H37 E143Y21-K39 WeakPolarHBondContact OH-CG 3.12Å; H37-K39 PolarHBondContact O-N 3.3Å; H37-K39 VanDerWaalsContact O-N 3.14Å; K39-E143 IonicContact NZ-OE2 3.65Å; K39-E143 PolarHBondContact NZ-OE2 2.97Å
40P90.7Very high92.2Very high33 Ų3371.2 Ų71.221%0.21437%0.367CS..  trans-67.6142.2179.228.1-33.5000110.3F42 L144 P146P40-F42 WeakPolarHBondContact CB-O 2.98Å; P40-L144 HydrophobicContact CG-CB 4.04Å; P40-P146 HydrophobicContact CG-CB 4.38Å
41T89.8Confident92.2Very high113 Ų11370.7 Ų70.769%0.69336%0.356SS*.SBendtrans-83.3-19.1171.250.90000112.2L144T41-L144 WeakPolarHBondContact O-CD1 3.34Å
42F91.4Very high92.2Very high138 Ų13863.9 Ų63.961%0.60532%0.319SS*.SBendtrans-141.4134.9173.855.3-86.6000108.3P40 E120P40-F42 WeakPolarHBondContact CB-O 2.98Å; F42-E120 WeakPolarHBondContact CD2-OE2 3.29Å
43S94.3Very high91.7Very high12 Ų1260 Ų608%0.08430%0.304CS..  trans-157.6152.7175.3-175.50000109.6T45 A123 S145S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact OG-N 2.8Å; S43-T45 VanDerWaalsContact OG-N 3.1Å; S43-T45 PolarHBondContact OG-O 3.47Å; S43-A123 WeakPolarHBondContact O-CB 3.36Å; S43-S145 WeakPolarHBondContact CB-O 3.36Å; S43-S145 PolarHBondContact OG-O 3.36Å
44Q95.6Very high90.8Very high63 Ų6359.7 Ų59.729%0.29430%0.301SS..SBendtrans-77.7-21.2170.3-65.71747.100111.4K116 F117 E120Q44-K116 HydrophobicContact CB-CG 4.35Å; Q44-F117 PolarHBondContact O-N 3.04Å; Q44-E120 HydrophobicContact CB-CG 4.4Å; Q44-E120 HydrophobicContact CG-CG 3.37Å; Q44-E120 PolarHBondContact NE2-OE1 3.17Å
45T96.5Very high89.7Confident1 Ų156.3 Ų56.31%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-107.5132-172.4-49.50000110.3S43 V115 K116 S145 V147 F150S43-T45 VanDerWaalsContact C-N 3.28Å; S43-T45 PolarHBondContact OG-N 2.8Å; S43-T45 VanDerWaalsContact OG-N 3.1Å; S43-T45 PolarHBondContact OG-O 3.47Å; T45-V115 CarbonylContact C-O 3.57Å; T45-V115 WeakPolarHBondContact CA-O 2.92Å; T45-K116 HydrophobicContact CG2-CB 4.45Å; T45-S145 PolarHBondContact O-N 2.88Å; T45-V147 VanDerWaalsContact CB-O 3.25Å; T45-V147 WeakPolarHBondContact CB-O 3.24Å; T45-V147 HydrophobicContact CG2-CB 4.45Å; T45-V147 PolarHBondContact OG1-O 3.39Å; T45-F150 HydrophobicContact CG2-CZ 3.86Å
46I96.6Very high88.3Confident0 Ų057 Ų570%028%0.283CS..EExtended strand (participates in β ladder)trans-110.1154.6169.870166.7000109.9L48 M89 Y114 V115 F117 A123 A126 V127 L130 E143 L144I46-L48 HydrophobicContact CD1-CD2 4.02Å; I46-M89 HydrophobicContact CD1-SD 4.39Å; I46-Y114 WeakPolarHBondContact O-CA 3.11Å; I46-V115 HydrophobicContact CD1-CB 4.25Å; I46-V115 HydrophobicContact CD1-CG2 4.5Å; I46-V115 HydrophobicContact CG1-CB 3.76Å; I46-V115 HydrophobicContact CG1-CG2 4.31Å; I46-V115 PolarHBondContact N-O 3.09Å; I46-V115 PolarHBondContact O-N 3.25Å; I46-F117 HydrophobicContact CD1-CE2 3.73Å; I46-F117 HydrophobicContact CD1-CZ 4.29Å; I46-F117 HydrophobicContact CG1-CE2 3.87Å; I46-F117 HydrophobicContact CG2-CD2 4.41Å; I46-F117 HydrophobicContact CG2-CE2 4.14Å; I46-A123 HydrophobicContact CG2-CB 3.62Å; I46-A126 HydrophobicContact CD1-CB 4.06Å; I46-V127 HydrophobicContact CB-CG2 4.1Å; I46-V127 HydrophobicContact CG2-CG2 3.66Å; I46-L130 HydrophobicContact CD1-CD1 4.04Å; I46-E143 CarbonylContact C-O 3.52Å; I46-E143 WeakPolarHBondContact CA-O 3.4Å; I46-L144 HydrophobicContact CG2-CD2 4.14Å
47A96Very high86.8Confident0 Ų055.2 Ų55.20%027%0.274CS..EExtended strand (participates in β ladder)trans-119.6126169.600000109.3L49 V113 Y114 A142 E143A47-L49 HydrophobicContact CB-CD2 4.24Å; A47-V113 CarbonylContact C-O 3.57Å; A47-V113 WeakPolarHBondContact CA-O 3.13Å; A47-Y114 HydrophobicContact CB-CD1 3.89Å; A47-Y114 HydrophobicContact CB-CE1 3.71Å; A47-A142 CarbonylContact O-C 3.59Å; A47-A142 WeakPolarHBondContact O-CA 3.47Å; A47-E143 HydrophobicContact CB-CG 4.37Å; A47-E143 PolarHBondContact N-O 2.95Å; A47-E143 PolarHBondContact O-N 2.8Å
48L95.2Very high84.9Confident1 Ų156.5 Ų56.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-97.6113167.8-50179.1000107.2I46 I51 M89 N112 V113 L130 I140 H141 A142I46-L48 HydrophobicContact CD1-CD2 4.02Å; L48-I51 HydrophobicContact CB-CB 4.32Å; L48-I51 HydrophobicContact CB-CD1 4.39Å; L48-I51 HydrophobicContact CB-CG2 3.83Å; L48-I51 HydrophobicContact CD1-CD1 4.05Å; L48-M89 HydrophobicContact CD1-CE 3.73Å; L48-N112 WeakPolarHBondContact O-CA 3.47Å; L48-V113 HydrophobicContact CB-CB 4.23Å; L48-V113 PolarHBondContact N-O 2.95Å; L48-V113 PolarHBondContact O-N 3.03Å; L48-L130 HydrophobicContact CD2-CD1 3.64Å; L48-I140 HydrophobicContact CD2-CG2 4.25Å; L48-H141 WeakPolarHBondContact CA-O 3.49Å; L48-A142 HydrophobicContact CD2-CB 3.52Å
49L93.2Very high82.9Confident56 Ų5654 Ų5429%0.29328%0.28SS..EExtended strand (participates in β ladder)trans-82.6129.3-171.1-56.3179.8000110.5A47 I51 N112 H141 E143A47-L49 HydrophobicContact CB-CD2 4.24Å; L49-I51 PolarHBondContact O-N 2.61Å; L49-I51 VanDerWaalsContact O-N 3.12Å; L49-N112 WeakPolarHBondContact CA-OD1 3.45Å; L49-H141 HydrophobicContact CB-CB 4.22Å; L49-H141 PolarHBondContact N-O 3.04Å; L49-E143 HydrophobicContact CD1-CG 4.39Å
50N89.9Confident81Confident75 Ų7556 Ų5640%0.40129%0.291SS..THydrogen-bonded Turntrans51.334.7172.9-167.734.3000115N112N50-N112 PolarHBondContact N-OD1 2.99Å; N50-N112 VanDerWaalsContact N-OD1 3.08Å
51I89.6Confident78.8Confident22 Ų2259.1 Ų59.111%0.11331%0.314CS..  trans-84.2-36.2-178.6-165.9170.5000111.6L48 L49 R53 F81 G111 V113 F135 I140L48-I51 HydrophobicContact CB-CB 4.32Å; L48-I51 HydrophobicContact CB-CD1 4.39Å; L48-I51 HydrophobicContact CB-CG2 3.83Å; L48-I51 HydrophobicContact CD1-CD1 4.05Å; L49-I51 PolarHBondContact O-N 2.61Å; L49-I51 VanDerWaalsContact O-N 3.12Å; I51-R53 PolarHBondContact O-N 3.46Å; I51-F81 HydrophobicContact CG2-CZ 4.21Å; I51-G111 PolarHBondContact N-O 2.82Å; I51-V113 HydrophobicContact CG2-CB 3.8Å; I51-V113 HydrophobicContact CG2-CG2 3.26Å; I51-F135 HydrophobicContact CD1-CB 4.39Å; I51-F135 HydrophobicContact CD1-CD1 4.13Å; I51-F135 HydrophobicContact CD1-CG 4.21Å; I51-F135 HydrophobicContact CG1-CD1 3.71Å; I51-F135 HydrophobicContact CG1-CE1 4.21Å; I51-F135 HydrophobicContact CG1-CG 4.26Å; I51-I140 HydrophobicContact CD1-CG1 4.42Å; I51-I140 HydrophobicContact CD1-CG2 4.3Å
52Y87.4Confident76.7Confident14 Ų1461 Ų616%0.05532%0.319CS..  trans-84.5117.8176.9-179.4-113.3000110.4N54 Y78 F81 V101 G111 K175Y52-N54 HydrophobicContact CE1-CB 3.99Å; Y52-Y78 HydrophobicContact CD2-CD2 4.41Å; Y52-Y78 HydrophobicContact CE1-CD2 4.23Å; Y52-Y78 HydrophobicContact CE1-CE2 4.49Å; Y52-Y78 AromaticContact CE2-CD2 3.67Å; Y52-Y78 HydrophobicContact CE2-CD2 3.67Å; Y52-Y78 HydrophobicContact CE2-CE2 4.34Å; Y52-Y78 AromaticContact CZ-CD2 3.55Å; Y52-F81 AromaticContact CD2-CD1 3.43Å; Y52-F81 HydrophobicContact CD2-CD1 3.43Å; Y52-F81 VanDerWaalsContact CD2-CD1 3.43Å; Y52-F81 HydrophobicContact CD2-CD2 4.29Å; Y52-F81 AromaticContact CD2-CE1 3.45Å; Y52-F81 HydrophobicContact CD2-CE1 3.45Å; Y52-F81 VanDerWaalsContact CD2-CE1 3.45Å; Y52-F81 HydrophobicContact CD2-CE2 4.3Å; Y52-F81 AromaticContact CD2-CG 3.87Å; Y52-F81 HydrophobicContact CD2-CG 3.87Å; Y52-F81 AromaticContact CD2-CZ 3.9Å; Y52-F81 HydrophobicContact CD2-CZ 3.9Å; Y52-F81 AromaticContact CE2-CD1 3.95Å; Y52-F81 HydrophobicContact CE2-CD1 3.95Å; Y52-F81 HydrophobicContact CE2-CE1 4.38Å; Y52-F81 HydrophobicContact CE2-CG 4.26Å; Y52-F81 HydrophobicContact CG-CD1 4.32Å; Y52-F81 AromaticContact CG-CE1 3.93Å; Y52-F81 HydrophobicContact CG-CE1 3.93Å; Y52-F81 HydrophobicContact CG-CZ 4.3Å; Y52-V101 HydrophobicContact CD1-CG1 3.7Å; Y52-V101 HydrophobicContact CG-CG1 3.7Å; Y52-G111 PolarHBondContact N-O 3.08Å; Y52-G111 WeakPolarHBondContact O-CA 3.46Å; Y52-K175 HydrophobicContact CE1-CD 4.23Å; Y52-K175 PolarHBondContact OH-NZ 3.1Å
53R81.7Confident74.4Confident141 Ų14161.1 Ų61.153%0.53233%0.326SS..  trans-107.3109.3173.5-70.4-179.7171.3-158.7-11.5109.2I51 P55I51-R53 PolarHBondContact O-N 3.46Å; R53-P55 VanDerWaalsContact O-CD 3.27Å; R53-P55 WeakPolarHBondContact O-CD 3.29Å
54N72.1Confident72.1Confident18 Ų1864.9 Ų64.910%0.09637%0.367CS..  trans-66.5119.8173.3-172.2-21.4000109.1Y52 Q56 N57 S58 D103Y52-N54 HydrophobicContact CE1-CB 3.99Å; N54-Q56 PolarHBondContact O-N 3.32Å; N54-Q56 VanDerWaalsContact O-N 3.1Å; N54-Q56 PolarHBondContact OD1-N 2.81Å; N54-Q56 VanDerWaalsContact OD1-N 3.11Å; N54-N57 HydrophobicContact CB-CB 4.28Å; N54-N57 PolarHBondContact O-N 2.65Å; N54-S58 PolarHBondContact O-N 3.47Å; N54-S58 PolarHBondContact O-OG 3.29Å; N54-D103 PolarHBondContact ND2-OD1 3.06Å
55P68.9Low69.6Low53 Ų5368.4 Ų68.434%0.34439%0.387SS..Hα-helixtrans-54-31.4179.7-2735.4000113.5R53 N57 S58 A59R53-P55 VanDerWaalsContact O-CD 3.27Å; R53-P55 WeakPolarHBondContact O-CD 3.29Å; P55-N57 VanDerWaalsContact C-N 3.33Å; P55-N57 PolarHBondContact O-N 2.91Å; P55-S58 VanDerWaalsContact C-OG 3.31Å; P55-S58 VanDerWaalsContact CA-OG 3.29Å; P55-S58 WeakPolarHBondContact CA-OG 3.45Å; P55-S58 PolarHBondContact O-N 3.49Å; P55-S58 PolarHBondContact O-OG 3.13Å; P55-A59 PolarHBondContact O-N 2.73Å
56Q62.7Low67.1Low102 Ų10273.8 Ų73.848%0.47742%0.42SS..Hα-helixtrans-67.7-32.2177.3-61.1-166.2-55.900113.1N54 M74N54-Q56 PolarHBondContact O-N 3.32Å; N54-Q56 VanDerWaalsContact O-N 3.1Å; N54-Q56 PolarHBondContact OD1-N 2.81Å; N54-Q56 VanDerWaalsContact OD1-N 3.11Å; Q56-M74 HydrophobicContact CG-CE 4.29Å; Q56-M74 HydrophobicContact CG-SD 3.19Å; Q56-M74 WeakPolarHBondContact CG-SD 3.33Å; Q56-M74 PolarHBondContact NE2-SD 3.08Å
57N59.4Low64.8Low60 Ų6078 Ų7832%0.32145%0.448SS..Hα-helixtrans-80.7-32.6-178.5-146.229.3000110.8N54 P55N54-N57 HydrophobicContact CB-CB 4.28Å; N54-N57 PolarHBondContact O-N 2.65Å; P55-N57 VanDerWaalsContact C-N 3.33Å; P55-N57 PolarHBondContact O-N 2.91Å
58S53.7Low62.7Low72 Ų7284 Ų8450%0.50349%0.485SS..Hα-helixtrans-67.5-32.3172.840.90000113.6N54 P55 Q60 S61N54-S58 PolarHBondContact O-N 3.47Å; N54-S58 PolarHBondContact O-OG 3.29Å; P55-S58 VanDerWaalsContact C-OG 3.31Å; P55-S58 VanDerWaalsContact CA-OG 3.29Å; P55-S58 WeakPolarHBondContact CA-OG 3.45Å; P55-S58 PolarHBondContact O-N 3.49Å; P55-S58 PolarHBondContact O-OG 3.13Å; S58-Q60 PolarHBondContact O-N 2.83Å; S58-S61 PolarHBondContact O-N 2.82Å
59A45.9Very low61.2Low38 Ų3886.3 Ų86.331%0.31450%0.499SS..THydrogen-bonded Turntrans-70.7-11.618000000114.2P55P55-A59 PolarHBondContact O-N 2.73Å
60Q49.4Very low60.4Low164 Ų16486.1 Ų86.177%0.76650%0.503SS*.THydrogen-bonded Turntrans-85.5-10175.7-72-176.98.800113.7S58S58-Q60 PolarHBondContact O-N 2.83Å
61S45.2Very low59.8Low99 Ų9988.8 Ų88.869%0.69252%0.517SS*.SBendtrans-103.3-13.2-169.5-66.90000115.9S58S58-S61 PolarHBondContact O-N 2.82Å
62L45.7Very low59.3Low151 Ų15194.8 Ų94.879%0.79155%0.546SS*.SBendtrans-149.7106.7-179.1-138.878.8000110.5
63D43.3Very low59.2Low141 Ų14198.4 Ų98.475%0.75456%0.564SS**SBendtrans61.5126.3178.4-64-32.3000115.8L65D63-L65 PolarHBondContact O-N 2.9Å
64G45.4Very low59.2Low91 Ų9192.4 Ų92.494%0.93854%0.542SS*.SBendtrans-6545.6-179.100000115.8
65L44.6Very low59.8Low138 Ų13894.5 Ų94.572%0.72355%0.551SS**  trans-93.6100167.2-167.368.5000107.7D63 C67D63-L65 PolarHBondContact O-N 2.9Å; L65-C67 PolarHBondContact O-N 3.21Å
66T43.5Very low60.7Low113 Ų11397.7 Ų97.769%0.69356%0.561SS**  trans-62.3100.3171.453.40000108.6T68T66-T68 VanDerWaalsContact C-N 3.29Å; T66-T68 PolarHBondContact O-N 2.9Å
67C47.3Very low61.9Low89 Ų8997.6 Ų97.660%0.60156%0.561SS**  trans-62.999.2159.8-72.50000106.6L65 V69L65-C67 PolarHBondContact O-N 3.21Å; C67-V69 HydrophobicContact CB-CG2 4.07Å; C67-V69 PolarHBondContact O-N 2.96Å
68T53.3Low63.4Low125 Ų12594.8 Ų94.877%0.76755%0.546SS*.  trans-74.556.7173.756.30000109.3T66 S70T66-T68 VanDerWaalsContact C-N 3.29Å; T66-T68 PolarHBondContact O-N 2.9Å; T68-S70 PolarHBondContact O-N 3.36Å
69V62.6Low65.1Low50 Ų5092.6 Ų92.630%0.30353%0.528SS..  trans-67.5126.9169.8-171.60000106C67 E73 M74C67-V69 HydrophobicContact CB-CG2 4.07Å; C67-V69 PolarHBondContact O-N 2.96Å; V69-E73 HydrophobicContact CG1-CB 3.56Å; V69-M74 HydrophobicContact CB-CG 3.95Å; V69-M74 HydrophobicContact CB-SD 4.4Å; V69-M74 HydrophobicContact CG1-CG 3.56Å
70S76.1Confident67.3Low53 Ų5396.3 Ų96.337%0.37154%0.539SS..  trans-66.4152.7-179.866.20000110.6T68 M72 E73 M74T68-S70 PolarHBondContact O-N 3.36Å; S70-M72 PolarHBondContact O-N 2.81Å; S70-M72 VanDerWaalsContact O-N 3.08Å; S70-E73 WeakPolarHBondContact CB-OE2 3.48Å; S70-E73 PolarHBondContact N-OE2 2.94Å; S70-E73 PolarHBondContact O-N 2.92Å; S70-E73 VanDerWaalsContact O-N 3.15Å; S70-E73 VanDerWaalsContact OG-CD 3.28Å; S70-E73 VanDerWaalsContact OG-CG 3.3Å; S70-E73 WeakPolarHBondContact OG-CG 3.25Å; S70-E73 PolarHBondContact OG-N 3.49Å; S70-E73 PolarHBondContact OG-OE2 3.42Å; S70-M74 WeakPolarHBondContact O-CG 3.25Å; S70-M74 PolarHBondContact O-N 2.86Å; S70-M74 VanDerWaalsContact O-N 3.08Å
71D77.1Confident69.3Low130 Ų13089.5 Ų89.570%0.69551%0.507SS*.Hα-helixtrans-56.3-26.8176.9-66.4-26.9000112.8M74 Q75D71-M74 VanDerWaalsContact CA-CE 3.48Å; D71-M74 HydrophobicContact CB-CE 4.29Å; D71-M74 WeakPolarHBondContact OD1-CE 3.44Å; D71-Q75 PolarHBondContact O-N 3.49Å
72M80.8Confident71.6Confident149 Ų14985 Ų8573%0.73448%0.475SS*.Hα-helixtrans-70.4-52.3175.1-76.3179.6150.700112.3S70 M74 Q75 E76S70-M72 PolarHBondContact O-N 2.81Å; S70-M72 VanDerWaalsContact O-N 3.08Å; M72-M74 PolarHBondContact O-N 3.39Å; M72-Q75 WeakPolarHBondContact O-CB 3.36Å; M72-Q75 PolarHBondContact O-N 2.92Å; M72-E76 PolarHBondContact O-N 2.86Å
73E83.8Confident73.8Confident90 Ų9082 Ų8242%0.42146%0.457SS..Hα-helixtrans-61-36178.7-70.2161.9140.900111.3V69 S70 Q75 E76 H77V69-E73 HydrophobicContact CG1-CB 3.56Å; S70-E73 WeakPolarHBondContact CB-OE2 3.48Å; S70-E73 PolarHBondContact N-OE2 2.94Å; S70-E73 PolarHBondContact O-N 2.92Å; S70-E73 VanDerWaalsContact O-N 3.15Å; S70-E73 VanDerWaalsContact OG-CD 3.28Å; S70-E73 VanDerWaalsContact OG-CG 3.3Å; S70-E73 WeakPolarHBondContact OG-CG 3.25Å; S70-E73 PolarHBondContact OG-N 3.49Å; S70-E73 PolarHBondContact OG-OE2 3.42Å; E73-Q75 VanDerWaalsContact C-N 3.33Å; E73-Q75 PolarHBondContact O-N 3.28Å; E73-E76 PolarHBondContact O-N 3.41Å; E73-H77 PolarHBondContact O-CD2 2.97Å; E73-H77 PolarHBondContact O-N 3.41Å
74M82.3Confident76.2Confident15 Ų1580.4 Ų80.47%0.07445%0.445CS..Hα-helixtrans-67.9-33.1176-67.8-172.7-66.800113.4Q56 V69 S70 D71 M72 Y78Q56-M74 HydrophobicContact CG-CE 4.29Å; Q56-M74 HydrophobicContact CG-SD 3.19Å; Q56-M74 WeakPolarHBondContact CG-SD 3.33Å; Q56-M74 PolarHBondContact NE2-SD 3.08Å; V69-M74 HydrophobicContact CB-CG 3.95Å; V69-M74 HydrophobicContact CB-SD 4.4Å; V69-M74 HydrophobicContact CG1-CG 3.56Å; S70-M74 WeakPolarHBondContact O-CG 3.25Å; S70-M74 PolarHBondContact O-N 2.86Å; S70-M74 VanDerWaalsContact O-N 3.08Å; D71-M74 VanDerWaalsContact CA-CE 3.48Å; D71-M74 HydrophobicContact CB-CE 4.29Å; D71-M74 WeakPolarHBondContact OD1-CE 3.44Å; M72-M74 PolarHBondContact O-N 3.39Å; M74-Y78 WeakPolarHBondContact O-CB 3.43Å; M74-Y78 PolarHBondContact O-N 3.13Å; M74-Y78 VanDerWaalsContact O-N 3.17Å
75Q85.7Confident78.4Confident62 Ų6276.3 Ų76.329%0.2940%0.402SS..Hα-helixtrans-71.7-41174.4-172.665.941.300110.6D71 M72 E73 Y78 D79 P176D71-Q75 PolarHBondContact O-N 3.49Å; M72-Q75 WeakPolarHBondContact O-CB 3.36Å; M72-Q75 PolarHBondContact O-N 2.92Å; E73-Q75 VanDerWaalsContact C-N 3.33Å; E73-Q75 PolarHBondContact O-N 3.28Å; Q75-Y78 PolarHBondContact O-N 3.25Å; Q75-D79 PolarHBondContact NE2-OD1 3.36Å; Q75-D79 WeakPolarHBondContact O-CB 3.36Å; Q75-D79 PolarHBondContact O-N 2.62Å; Q75-P176 PolarHBondContact NE2-O 2.86Å
76E87.4Confident80.7Confident119 Ų11969.9 Ų69.956%0.55637%0.368SS*.Hα-helixtrans-60-49.7175.5-71.8174.4-179.300111.2M72 E73 Y78 D79 E80M72-E76 PolarHBondContact O-N 2.86Å; E73-E76 PolarHBondContact O-N 3.41Å; E76-Y78 PolarHBondContact O-N 2.83Å; E76-D79 PolarHBondContact O-N 3.25Å; E76-D79 VanDerWaalsContact O-N 3.13Å; E76-E80 WeakPolarHBondContact O-CG 3.43Å; E76-E80 PolarHBondContact O-N 3.47Å
77H87.7Confident83Confident101 Ų10166.7 Ų66.747%0.46835%0.348SS..Hα-helixtrans-60.1-33.9175.3-72.7-49.4000113.5E73 E80 F81E73-H77 PolarHBondContact O-CD2 2.97Å; E73-H77 PolarHBondContact O-N 3.41Å; H77-E80 IonicContact ND1-OE2 3.59Å; H77-F81 WeakPolarHBondContact O-CB 3.48Å; H77-F81 PolarHBondContact O-N 3Å; H77-F81 VanDerWaalsContact O-N 3.12Å
78Y90.4Very high85.2Confident1 Ų164.1 Ų64.10%0.00433%0.327CS..Hα-helixtrans-70.8-42.8175.5174.5-112.8000111.9Y52 M74 Q75 E76 F81 F82 V101 K175 P176 I177Y52-Y78 HydrophobicContact CD2-CD2 4.41Å; Y52-Y78 HydrophobicContact CE1-CD2 4.23Å; Y52-Y78 HydrophobicContact CE1-CE2 4.49Å; Y52-Y78 AromaticContact CE2-CD2 3.67Å; Y52-Y78 HydrophobicContact CE2-CD2 3.67Å; Y52-Y78 HydrophobicContact CE2-CE2 4.34Å; Y52-Y78 AromaticContact CZ-CD2 3.55Å; M74-Y78 WeakPolarHBondContact O-CB 3.43Å; M74-Y78 PolarHBondContact O-N 3.13Å; M74-Y78 VanDerWaalsContact O-N 3.17Å; Q75-Y78 PolarHBondContact O-N 3.25Å; E76-Y78 PolarHBondContact O-N 2.83Å; Y78-F81 PolarHBondContact O-N 2.69Å; Y78-F82 WeakPolarHBondContact O-CB 3.21Å; Y78-F82 PolarHBondContact O-N 2.88Å; Y78-V101 HydrophobicContact CE2-CB 3.99Å; Y78-V101 HydrophobicContact CE2-CG1 4.07Å; Y78-V101 HydrophobicContact CE2-CG2 4.06Å; Y78-V101 WeakPolarHBondContact OH-CB 3.46Å; Y78-K175 HydrophobicContact CD1-CD 4.06Å; Y78-K175 HydrophobicContact CD1-CG 4.04Å; Y78-K175 HydrophobicContact CD2-CD 3.74Å; Y78-K175 HydrophobicContact CD2-CG 4.36Å; Y78-K175 HydrophobicContact CE1-CB 4.14Å; Y78-K175 HydrophobicContact CE1-CD 4.1Å; Y78-K175 HydrophobicContact CE1-CG 3.68Å; Y78-K175 HydrophobicContact CE2-CB 4.1Å; Y78-K175 HydrophobicContact CE2-CD 3.81Å; Y78-K175 HydrophobicContact CE2-CG 4.06Å; Y78-K175 HydrophobicContact CG-CD 3.86Å; Y78-K175 HydrophobicContact CG-CG 4.35Å; Y78-K175 PolarHBondContact OH-O 2.91Å; Y78-P176 WeakPolarHBondContact CE1-O 3.19Å; Y78-I177 HydrophobicContact CE1-CB 4.46Å; Y78-I177 HydrophobicContact CE1-CG2 3.71Å
79D90.6Very high87.1Confident25 Ų2558.3 Ų58.313%0.13429%0.292CS..Hα-helixtrans-64.7-42.3178.1-76.9-3.2000111Q75 E76 F82 E83 S178 L181Q75-D79 PolarHBondContact NE2-OD1 3.36Å; Q75-D79 WeakPolarHBondContact O-CB 3.36Å; Q75-D79 PolarHBondContact O-N 2.62Å; E76-D79 PolarHBondContact O-N 3.25Å; E76-D79 VanDerWaalsContact O-N 3.13Å; D79-F82 PolarHBondContact O-N 3.16Å; D79-E83 WeakPolarHBondContact O-CB 3.38Å; D79-E83 PolarHBondContact O-N 2.99Å; D79-S178 PolarHBondContact OD1-N 2.92Å; D79-S178 VanDerWaalsContact OD1-N 3.13Å; D79-S178 WeakPolarHBondContact OD2-CB 3.44Å; D79-S178 PolarHBondContact OD2-OG 3.14Å; D79-L181 HydrophobicContact CB-CD2 3.79Å; D79-L181 WeakPolarHBondContact O-CD2 3.42Å
80E90.7Very high88.5Confident117 Ų11759.4 Ų59.455%0.54729%0.293SS..Hα-helixtrans-58.4-49.9173-73.717616900111.7E76 H77 F82 E83 E84E76-E80 WeakPolarHBondContact O-CG 3.43Å; E76-E80 PolarHBondContact O-N 3.47Å; H77-E80 IonicContact ND1-OE2 3.59Å; E80-F82 VanDerWaalsContact C-N 3.31Å; E80-F82 PolarHBondContact O-N 2.8Å; E80-E83 PolarHBondContact O-N 3.06Å; E80-E84 WeakPolarHBondContact O-CB 3.36Å; E80-E84 PolarHBondContact O-N 3.37Å
81F92Very high89.2Confident20 Ų2064.4 Ų64.49%0.08831%0.311CS..Hα-helixtrans-58.4-44.3175.9167.1-95.1000111.7I51 Y52 H77 Y78 E84 V85 V101 V113 F135I51-F81 HydrophobicContact CG2-CZ 4.21Å; Y52-F81 AromaticContact CD2-CD1 3.43Å; Y52-F81 HydrophobicContact CD2-CD1 3.43Å; Y52-F81 VanDerWaalsContact CD2-CD1 3.43Å; Y52-F81 HydrophobicContact CD2-CD2 4.29Å; Y52-F81 AromaticContact CD2-CE1 3.45Å; Y52-F81 HydrophobicContact CD2-CE1 3.45Å; Y52-F81 VanDerWaalsContact CD2-CE1 3.45Å; Y52-F81 HydrophobicContact CD2-CE2 4.3Å; Y52-F81 AromaticContact CD2-CG 3.87Å; Y52-F81 HydrophobicContact CD2-CG 3.87Å; Y52-F81 AromaticContact CD2-CZ 3.9Å; Y52-F81 HydrophobicContact CD2-CZ 3.9Å; Y52-F81 AromaticContact CE2-CD1 3.95Å; Y52-F81 HydrophobicContact CE2-CD1 3.95Å; Y52-F81 HydrophobicContact CE2-CE1 4.38Å; Y52-F81 HydrophobicContact CE2-CG 4.26Å; Y52-F81 HydrophobicContact CG-CD1 4.32Å; Y52-F81 AromaticContact CG-CE1 3.93Å; Y52-F81 HydrophobicContact CG-CE1 3.93Å; Y52-F81 HydrophobicContact CG-CZ 4.3Å; H77-F81 WeakPolarHBondContact O-CB 3.48Å; H77-F81 PolarHBondContact O-N 3Å; H77-F81 VanDerWaalsContact O-N 3.12Å; Y78-F81 PolarHBondContact O-N 2.69Å; F81-E84 PolarHBondContact O-N 2.92Å; F81-V85 HydrophobicContact CD2-CG2 4.15Å; F81-V85 HydrophobicContact CE1-CG2 4.27Å; F81-V85 HydrophobicContact CE2-CG2 3.71Å; F81-V85 HydrophobicContact CZ-CG2 3.78Å; F81-V85 VanDerWaalsContact O-CG2 3.29Å; F81-V85 WeakPolarHBondContact O-CG2 3.42Å; F81-V85 PolarHBondContact O-N 3.2Å; F81-V85 VanDerWaalsContact O-N 3.08Å; F81-V101 HydrophobicContact CE1-CG1 4.48Å; F81-V101 HydrophobicContact CE1-CG2 4.27Å; F81-V113 HydrophobicContact CE1-CG2 4.16Å; F81-V113 HydrophobicContact CZ-CG2 4.06Å; F81-F135 HydrophobicContact CD2-CE1 4.07Å; F81-F135 AromaticContact CD2-CZ 3.9Å; F81-F135 HydrophobicContact CD2-CZ 3.9Å; F81-F135 AromaticContact CE2-CE1 3.69Å; F81-F135 HydrophobicContact CE2-CE1 3.69Å; F81-F135 AromaticContact CE2-CZ 3.82Å; F81-F135 HydrophobicContact CE2-CZ 3.82Å
82F93.5Very high90Very high5 Ų563.6 Ų63.62%0.02230%0.301CS..Hα-helixtrans-65.2-41.9179.8-168.9-79.3000111.1Y78 D79 E80 F86 M99 V101 I177 L181 L185Y78-F82 WeakPolarHBondContact O-CB 3.21Å; Y78-F82 PolarHBondContact O-N 2.88Å; D79-F82 PolarHBondContact O-N 3.16Å; E80-F82 VanDerWaalsContact C-N 3.31Å; E80-F82 PolarHBondContact O-N 2.8Å; F82-F86 HydrophobicContact CD1-CB 4.47Å; F82-F86 HydrophobicContact CE1-CB 4.46Å; F82-F86 HydrophobicContact CE1-CD2 4.26Å; F82-F86 WeakPolarHBondContact O-CB 3.36Å; F82-F86 PolarHBondContact O-N 2.77Å; F82-M99 HydrophobicContact CB-CE 4.38Å; F82-M99 HydrophobicContact CD1-CE 3.54Å; F82-M99 HydrophobicContact CD2-CE 3.47Å; F82-M99 VanDerWaalsContact CD2-CE 3.47Å; F82-M99 HydrophobicContact CE1-CE 3.51Å; F82-M99 HydrophobicContact CE2-CB 4.43Å; F82-M99 HydrophobicContact CE2-CE 3.44Å; F82-M99 VanDerWaalsContact CE2-CE 3.44Å; F82-M99 HydrophobicContact CE2-CG 4.2Å; F82-M99 HydrophobicContact CG-CE 3.52Å; F82-M99 HydrophobicContact CZ-CB 3.99Å; F82-M99 HydrophobicContact CZ-CE 3.46Å; F82-M99 VanDerWaalsContact CZ-CE 3.46Å; F82-M99 HydrophobicContact CZ-CG 4.2Å; F82-M99 WeakPolarHBondContact CZ-O 3.46Å; F82-M99 WeakPolarHBondContact O-CE 3.1Å; F82-V101 HydrophobicContact CD2-CG2 3.81Å; F82-V101 HydrophobicContact CE2-CG2 4.11Å; F82-I177 HydrophobicContact CB-CG2 4.17Å; F82-I177 HydrophobicContact CD1-CG2 3.83Å; F82-I177 HydrophobicContact CD2-CG2 3.4Å; F82-I177 HydrophobicContact CE1-CD1 4.11Å; F82-I177 HydrophobicContact CE1-CG2 4.02Å; F82-I177 HydrophobicContact CE2-CG2 3.6Å; F82-I177 HydrophobicContact CG-CG2 3.52Å; F82-I177 HydrophobicContact CZ-CD1 4.28Å; F82-I177 HydrophobicContact CZ-CG2 3.91Å; F82-L181 HydrophobicContact CB-CD2 4.15Å; F82-L181 HydrophobicContact CD1-CD2 4.03Å; F82-L181 HydrophobicContact CG-CD2 4.41Å; F82-L185 HydrophobicContact CD1-CD1 3.67Å; F82-L185 HydrophobicContact CE1-CD1 3.61Å
83E92.5Very high90.6Very high89 Ų8957.8 Ų57.842%0.41627%0.271SS..Hα-helixtrans-65.1-44.2177.4-174.3172.9-17400112.3D79 E80 F86 T87 L181 L185D79-E83 WeakPolarHBondContact O-CB 3.38Å; D79-E83 PolarHBondContact O-N 2.99Å; E80-E83 PolarHBondContact O-N 3.06Å; E83-F86 PolarHBondContact O-N 2.77Å; E83-T87 VanDerWaalsContact O-CB 3.26Å; E83-T87 WeakPolarHBondContact O-CB 3.36Å; E83-T87 PolarHBondContact O-N 2.89Å; E83-T87 PolarHBondContact O-OG1 2.99Å; E83-L181 HydrophobicContact CB-CD1 4.07Å; E83-L181 HydrophobicContact CG-CD1 4.35Å; E83-L185 HydrophobicContact CG-CD2 4.48Å
84E92.1Very high91Very high107 Ų10754.1 Ų54.150%0.526%0.258SS..Hα-helixtrans-59.3-52.4178.6-176.3-179-178.600110.7E80 F81 F86 E88E80-E84 WeakPolarHBondContact O-CB 3.36Å; E80-E84 PolarHBondContact O-N 3.37Å; F81-E84 PolarHBondContact O-N 2.92Å; E84-F86 PolarHBondContact O-N 2.81Å; E84-E88 VanDerWaalsContact O-CB 3.23Å; E84-E88 WeakPolarHBondContact O-CB 3.42Å; E84-E88 PolarHBondContact O-N 3.29Å
85V92.3Very high91.5Very high5 Ų556.5 Ų56.53%0.0327%0.269CS..Hα-helixtrans-63.5-45179.31780000110.4F81 E88 M89 M99 V113F81-V85 HydrophobicContact CD2-CG2 4.15Å; F81-V85 HydrophobicContact CE1-CG2 4.27Å; F81-V85 HydrophobicContact CE2-CG2 3.71Å; F81-V85 HydrophobicContact CZ-CG2 3.78Å; F81-V85 VanDerWaalsContact O-CG2 3.29Å; F81-V85 WeakPolarHBondContact O-CG2 3.42Å; F81-V85 PolarHBondContact O-N 3.2Å; F81-V85 VanDerWaalsContact O-N 3.08Å; V85-E88 PolarHBondContact O-N 3.29Å; V85-M89 HydrophobicContact CG1-CE 4.14Å; V85-M89 HydrophobicContact CG1-CG 4.3Å; V85-M89 WeakPolarHBondContact O-CG 3.38Å; V85-M89 PolarHBondContact O-N 3.43Å; V85-M99 HydrophobicContact CB-CE 4.24Å; V85-M99 HydrophobicContact CB-SD 4.34Å; V85-M99 HydrophobicContact CG1-CE 4.28Å; V85-M99 HydrophobicContact CG1-SD 3.76Å; V85-V113 HydrophobicContact CG1-CG1 4.47Å
86F93.3Very high91.9Very high3 Ų353.5 Ų53.51%0.01326%0.255CS..Hα-helixtrans-61.9-48.5-178.5-172.7-87000111.9F82 E83 E84 M89 E90 V96 M99 L185 Y186F82-F86 HydrophobicContact CD1-CB 4.47Å; F82-F86 HydrophobicContact CE1-CB 4.46Å; F82-F86 HydrophobicContact CE1-CD2 4.26Å; F82-F86 WeakPolarHBondContact O-CB 3.36Å; F82-F86 PolarHBondContact O-N 2.77Å; E83-F86 PolarHBondContact O-N 2.77Å; E84-F86 PolarHBondContact O-N 2.81Å; F86-M89 PolarHBondContact O-N 3.08Å; F86-E90 HydrophobicContact CE1-CG 4.35Å; F86-E90 WeakPolarHBondContact CE1-OE2 3.38Å; F86-E90 PolarHBondContact O-N 2.89Å; F86-V96 HydrophobicContact CD2-CG1 4.14Å; F86-V96 HydrophobicContact CE2-CB 3.91Å; F86-V96 HydrophobicContact CE2-CG1 3.64Å; F86-V96 HydrophobicContact CZ-CB 4.15Å; F86-V96 HydrophobicContact CZ-CG1 4.36Å; F86-M99 HydrophobicContact CB-CE 3.72Å; F86-M99 HydrophobicContact CB-SD 4.24Å; F86-M99 HydrophobicContact CD2-CB 4.09Å; F86-M99 HydrophobicContact CD2-CE 4.25Å; F86-M99 HydrophobicContact CD2-SD 4.3Å; F86-L185 HydrophobicContact CB-CD1 4.29Å; F86-L185 HydrophobicContact CD1-CB 4.45Å; F86-L185 HydrophobicContact CD1-CD1 4.23Å; F86-L185 HydrophobicContact CD1-CD2 3.81Å; F86-L185 HydrophobicContact CD1-CG 4.39Å; F86-L185 HydrophobicContact CD2-CD1 4.5Å; F86-L185 HydrophobicContact CE1-CB 4.24Å; F86-L185 HydrophobicContact CE1-CD2 4.24Å; F86-L185 HydrophobicContact CG-CD1 4.08Å; F86-L185 HydrophobicContact CG-CD2 4.44Å; F86-Y186 HydrophobicContact CE2-CE1 4.14Å; F86-Y186 HydrophobicContact CE2-CE2 4.48Å; F86-Y186 AromaticContact CE2-CZ 3.84Å; F86-Y186 HydrophobicContact CZ-CE1 4.4Å
87T91.9Very high92.1Very high46 Ų4651.6 Ų51.628%0.28225%0.246SC..Hα-helixtrans-64.4-43.6-178.7-56.60000110.7E83 M89 E90 E91E83-T87 VanDerWaalsContact O-CB 3.26Å; E83-T87 WeakPolarHBondContact O-CB 3.36Å; E83-T87 PolarHBondContact O-N 2.89Å; E83-T87 PolarHBondContact O-OG1 2.99Å; T87-M89 VanDerWaalsContact C-N 3.31Å; T87-M89 PolarHBondContact O-N 3.12Å; T87-E90 PolarHBondContact O-N 3.27Å; T87-E91 HydrophobicContact CG2-CG 4.12Å; T87-E91 WeakPolarHBondContact O-CB 3.36Å; T87-E91 WeakPolarHBondContact O-CG 3.23Å; T87-E91 PolarHBondContact O-N 3.42Å
88E92.8Very high92.4Very high34 Ų3450.4 Ų50.416%0.15924%0.241CC..Hα-helixtrans-60.3-41.5176.7174.2152.3-137.400112.3E84 V85 K92 R133E84-E88 VanDerWaalsContact O-CB 3.23Å; E84-E88 WeakPolarHBondContact O-CB 3.42Å; E84-E88 PolarHBondContact O-N 3.29Å; V85-E88 PolarHBondContact O-N 3.29Å; E88-K92 HydrophobicContact CG-CD 4.11Å; E88-K92 WeakPolarHBondContact O-CB 3.43Å; E88-K92 PolarHBondContact O-N 2.86Å; E88-K92 VanDerWaalsContact O-N 3.11Å; E88-K92 WeakPolarHBondContact OE1-CE 3.2Å; E88-K92 IonicContact OE1-NZ 2.71Å; E88-K92 PolarHBondContact OE1-NZ 2.86Å; E88-R133 IonicContact OE1-CZ 3.06Å; E88-R133 IonicContact OE1-NH1 2.69Å; E88-R133 PolarHBondContact OE1-NH1 3.39Å; E88-R133 IonicContact OE1-NH2 3.5Å; E88-R133 PolarHBondContact OE1-NH2 3.38Å; E88-R133 IonicContact OE2-NH2 2.96Å
89M93.3Very high92.5Very high4 Ų450.6 Ų50.62%0.0224%0.241CC..Hα-helixtrans-67.7-42.4178.1-63.4-67.3151.200112I46 L48 V85 F86 T87 Y93 G94 V96 V115 F117 L130I46-M89 HydrophobicContact CD1-SD 4.39Å; L48-M89 HydrophobicContact CD1-CE 3.73Å; V85-M89 HydrophobicContact CG1-CE 4.14Å; V85-M89 HydrophobicContact CG1-CG 4.3Å; V85-M89 WeakPolarHBondContact O-CG 3.38Å; V85-M89 PolarHBondContact O-N 3.43Å; F86-M89 PolarHBondContact O-N 3.08Å; T87-M89 VanDerWaalsContact C-N 3.31Å; T87-M89 PolarHBondContact O-N 3.12Å; M89-Y93 HydrophobicContact CE-CE2 4.42Å; M89-Y93 PolarHBondContact O-N 3.13Å; M89-Y93 HydrophobicContact SD-CD2 3.76Å; M89-Y93 HydrophobicContact SD-CE2 3.67Å; M89-G94 PolarHBondContact O-N 3.12Å; M89-V96 HydrophobicContact CB-CG2 3.78Å; M89-V115 HydrophobicContact CB-CG1 4.38Å; M89-V115 HydrophobicContact CG-CG1 4.33Å; M89-V115 HydrophobicContact CG-CG2 4.36Å; M89-F117 HydrophobicContact CB-CE1 4.21Å; M89-F117 HydrophobicContact CB-CZ 4.19Å; M89-F117 HydrophobicContact SD-CZ 4.19Å; M89-L130 HydrophobicContact CE-CD1 3.66Å; M89-L130 HydrophobicContact CE-CD2 3.89Å; M89-L130 HydrophobicContact CE-CG 4.43Å; M89-L130 HydrophobicContact SD-CD1 3.91Å
90E92.4Very high92.7Very high73 Ų7350.6 Ų50.634%0.34124%0.241SC..Hα-helixtrans-68.7-38.6179.3-115.9-170.8174.600112.7F86 T87 G94 V96 R189F86-E90 HydrophobicContact CE1-CG 4.35Å; F86-E90 WeakPolarHBondContact CE1-OE2 3.38Å; F86-E90 PolarHBondContact O-N 2.89Å; T87-E90 PolarHBondContact O-N 3.27Å; E90-G94 WeakPolarHBondContact CA-O 3.4Å; E90-V96 HydrophobicContact CG-CB 4.23Å; E90-V96 HydrophobicContact CG-CG2 4.08Å; E90-R189 IonicContact OE1-CZ 2.74Å; E90-R189 IonicContact OE1-NH2 3.42Å; E90-R189 PolarHBondContact OE1-NH2 3.18Å
91E91.6Very high92.9Very high158 Ų15845 Ų4574%0.73822%0.216SC*.Hα-helixtrans-78.1-38.6-177.1-71.7-173.3168.700113.5T87T87-E91 HydrophobicContact CG2-CG 4.12Å; T87-E91 WeakPolarHBondContact O-CB 3.36Å; T87-E91 WeakPolarHBondContact O-CG 3.23Å; T87-E91 PolarHBondContact O-N 3.42Å
92K92.4Very high93Very high113 Ų11344.1 Ų44.149%0.49121%0.212SC..Hα-helixtrans-90.3-34.3-174.3-69.5-174.1176.7170.80114.3E88E88-K92 HydrophobicContact CG-CD 4.11Å; E88-K92 WeakPolarHBondContact O-CB 3.43Å; E88-K92 PolarHBondContact O-N 2.86Å; E88-K92 VanDerWaalsContact O-N 3.11Å; E88-K92 WeakPolarHBondContact OE1-CE 3.2Å; E88-K92 IonicContact OE1-NZ 2.71Å; E88-K92 PolarHBondContact OE1-NZ 2.86Å
93Y93.9Very high92.9Very high26 Ų2645.8 Ų45.810%0.10222%0.221CC..THydrogen-bonded Turntrans-114.5-56.5-170-49.6-61.1000112.3M89 F117 A126 D129 L130M89-Y93 HydrophobicContact CE-CE2 4.42Å; M89-Y93 PolarHBondContact O-N 3.13Å; M89-Y93 HydrophobicContact SD-CD2 3.76Å; M89-Y93 HydrophobicContact SD-CE2 3.67Å; Y93-F117 HydrophobicContact CD2-CZ 4.32Å; Y93-A126 HydrophobicContact CD1-CB 3.87Å; Y93-A126 HydrophobicContact CD2-CB 3.63Å; Y93-A126 HydrophobicContact CE1-CB 4.19Å; Y93-A126 HydrophobicContact CE2-CB 3.97Å; Y93-A126 HydrophobicContact CG-CB 3.58Å; Y93-D129 HydrophobicContact CE1-CB 3.8Å; Y93-D129 PolarHBondContact OH-OD2 3.5Å; Y93-L130 HydrophobicContact CE2-CD1 4.16Å; Y93-L130 HydrophobicContact CE2-CD2 4.15Å; Y93-L130 HydrophobicContact CE2-CG 4.11Å; Y93-L130 VanDerWaalsContact OH-CD2 3.23Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.24Å; Y93-L130 VanDerWaalsContact OH-CG 3.32Å; Y93-L130 WeakPolarHBondContact OH-CG 3.32Å
94G92.3Very high92.8Very high14 Ų1441.7 Ų41.714%0.14420%0.202CC..  trans166.6-178.4-178.800000115.1M89 E90 V96M89-G94 PolarHBondContact O-N 3.12Å; E90-G94 WeakPolarHBondContact CA-O 3.4Å; G94-V96 PolarHBondContact O-N 2.89Å; G94-V96 VanDerWaalsContact O-N 3.14Å
95E93.2Very high92.6Very high64 Ų6441.3 Ų41.330%0.29920%0.202SC..  trans-59.9114.4-175.4-172.2-177.1167.800111.6R118 R189E95-R118 HydrophobicContact CB-CB 4.14Å; E95-R118 HydrophobicContact CG-CB 4.5Å; E95-R118 PolarHBondContact O-N 3.25Å; E95-R118 IonicContact OE1-NH1 3.48Å; E95-R118 PolarHBondContact OE1-NH1 3.03Å; E95-R118 WeakPolarHBondContact OE2-CD 3.27Å; E95-R118 IonicContact OE2-CZ 3.69Å; E95-R118 IonicContact OE2-NE 3.77Å; E95-R118 IonicContact OE2-NH1 2.84Å; E95-R118 PolarHBondContact OE2-NH1 3.22Å; E95-R189 VanDerWaalsContact CG-CZ 3.45Å; E95-R189 IonicContact OE1-CZ 2.61Å; E95-R189 IonicContact OE1-NE 2.91Å; E95-R189 PolarHBondContact OE1-NE 2.76Å; E95-R189 IonicContact OE1-NH1 3.97Å; E95-R189 PolarHBondContact OE1-NH1 2.86Å; E95-R189 IonicContact OE1-NH2 3.82Å
96V94.1Very high92.4Very high0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-83.2117.5177.5176.80000110.1F86 M89 E90 G94 M99 V115 K116 F117 R189F86-V96 HydrophobicContact CD2-CG1 4.14Å; F86-V96 HydrophobicContact CE2-CB 3.91Å; F86-V96 HydrophobicContact CE2-CG1 3.64Å; F86-V96 HydrophobicContact CZ-CB 4.15Å; F86-V96 HydrophobicContact CZ-CG1 4.36Å; M89-V96 HydrophobicContact CB-CG2 3.78Å; E90-V96 HydrophobicContact CG-CB 4.23Å; E90-V96 HydrophobicContact CG-CG2 4.08Å; G94-V96 PolarHBondContact O-N 2.89Å; G94-V96 VanDerWaalsContact O-N 3.14Å; V96-M99 HydrophobicContact CG1-CB 4.22Å; V96-V115 HydrophobicContact CB-CG1 4.46Å; V96-V115 HydrophobicContact CG1-CG1 3.74Å; V96-V115 HydrophobicContact CG2-CG1 3.87Å; V96-K116 CarbonylContact C-O 3.5Å; V96-F117 HydrophobicContact CG2-CD1 4.07Å; V96-F117 HydrophobicContact CG2-CE1 3.81Å; V96-R189 PolarHBondContact O-NH1 2.87Å; V96-R189 PolarHBondContact O-NH2 3.48Å
97E92.3Very high92.1Very high78 Ų7848.6 Ų48.636%0.36424%0.243SC..EExtended strand (participates in β ladder)trans-74.1-45174.9-68.5-161150.500112.4K116 R118E97-K116 HydrophobicContact CB-CG 4.41Å; E97-K116 PolarHBondContact N-O 3.49Å; E97-K116 WeakPolarHBondContact OE2-CE 3.29Å; E97-K116 IonicContact OE2-NZ 2.77Å; E97-R118 HydrophobicContact CG-CB 4.13Å
98E92.1Very high92Very high77 Ų7747.9 Ų47.936%0.3624%0.236SC..EExtended strand (participates in β ladder)trans-154.1136.7-174.8-167173.716700110.1N100 K116 F150E98-N100 PolarHBondContact OE1-ND2 2.92Å; E98-K116 HydrophobicContact CB-CB 4.41Å; E98-K116 PolarHBondContact N-O 3.1Å; E98-K116 PolarHBondContact O-N 3.13Å; E98-F150 HydrophobicContact CB-CE2 4.34Å; E98-F150 HydrophobicContact CG-CD2 4.22Å; E98-F150 HydrophobicContact CG-CE2 4.33Å
99M94Very high92Very high4 Ų446.3 Ų46.32%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-129.9132.2174.2-175.817189.800110.3F82 V85 F86 V96 V113 Y114 V115 Y186F82-M99 HydrophobicContact CB-CE 4.38Å; F82-M99 HydrophobicContact CD1-CE 3.54Å; F82-M99 HydrophobicContact CD2-CE 3.47Å; F82-M99 VanDerWaalsContact CD2-CE 3.47Å; F82-M99 HydrophobicContact CE1-CE 3.51Å; F82-M99 HydrophobicContact CE2-CB 4.43Å; F82-M99 HydrophobicContact CE2-CE 3.44Å; F82-M99 VanDerWaalsContact CE2-CE 3.44Å; F82-M99 HydrophobicContact CE2-CG 4.2Å; F82-M99 HydrophobicContact CG-CE 3.52Å; F82-M99 HydrophobicContact CZ-CB 3.99Å; F82-M99 HydrophobicContact CZ-CE 3.46Å; F82-M99 VanDerWaalsContact CZ-CE 3.46Å; F82-M99 HydrophobicContact CZ-CG 4.2Å; F82-M99 WeakPolarHBondContact CZ-O 3.46Å; F82-M99 WeakPolarHBondContact O-CE 3.1Å; V85-M99 HydrophobicContact CB-CE 4.24Å; V85-M99 HydrophobicContact CB-SD 4.34Å; V85-M99 HydrophobicContact CG1-CE 4.28Å; V85-M99 HydrophobicContact CG1-SD 3.76Å; F86-M99 HydrophobicContact CB-CE 3.72Å; F86-M99 HydrophobicContact CB-SD 4.24Å; F86-M99 HydrophobicContact CD2-CB 4.09Å; F86-M99 HydrophobicContact CD2-CE 4.25Å; F86-M99 HydrophobicContact CD2-SD 4.3Å; V96-M99 HydrophobicContact CG1-CB 4.22Å; M99-V113 HydrophobicContact CG-CG1 4.11Å; M99-V113 HydrophobicContact SD-CG1 4.26Å; M99-Y114 CarbonylContact C-O 3.54Å; M99-Y114 WeakPolarHBondContact CA-O 3.42Å; M99-V115 HydrophobicContact CG-CG2 4.01Å; M99-V115 HydrophobicContact SD-CG2 4.01Å; M99-Y186 PolarHBondContact N-OH 3.48Å; M99-Y186 VanDerWaalsContact N-OH 3.16Å
100N94.7Very high91.9Very high25 Ų2547.5 Ų47.513%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-136.3132.9-172.9-75.3-43.2000110.6E98 V113 Y114 F150 L174E98-N100 PolarHBondContact OE1-ND2 2.92Å; N100-V113 WeakPolarHBondContact O-CA 3.07Å; N100-Y114 PolarHBondContact N-O 2.75Å; N100-Y114 PolarHBondContact O-N 3.32Å; N100-F150 VanDerWaalsContact ND2-CD2 3.32Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.48Å; N100-F150 WeakPolarHBondContact ND2-CG 3.4Å; N100-L174 HydrophobicContact CB-CD1 4.06Å; N100-L174 HydrophobicContact CB-CD2 3.84Å
101V94.6Very high91.8Very high1 Ų144.1 Ų44.11%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-112.6131.1179.1-174.60000110Y52 Y78 F81 F82 V113 L174 K175Y52-V101 HydrophobicContact CD1-CG1 3.7Å; Y52-V101 HydrophobicContact CG-CG1 3.7Å; Y78-V101 HydrophobicContact CE2-CB 3.99Å; Y78-V101 HydrophobicContact CE2-CG1 4.07Å; Y78-V101 HydrophobicContact CE2-CG2 4.06Å; Y78-V101 WeakPolarHBondContact OH-CB 3.46Å; F81-V101 HydrophobicContact CE1-CG1 4.48Å; F81-V101 HydrophobicContact CE1-CG2 4.27Å; F82-V101 HydrophobicContact CD2-CG2 3.81Å; F82-V101 HydrophobicContact CE2-CG2 4.11Å; V101-V113 HydrophobicContact CB-CG2 4.37Å; V101-V113 HydrophobicContact CG1-CG2 3.98Å; V101-V113 HydrophobicContact CG2-CG1 4.31Å; V101-V113 HydrophobicContact CG2-CG2 3.99Å; V101-L174 WeakPolarHBondContact O-CA 3.34Å; V101-K175 PolarHBondContact O-N 3.41Å
102C93.6Very high92Very high0 Ų036.9 Ų36.90%019%0.187CC..BIsolated β-bridgetrans-90.4124.7178.9-64.70000111.8L109 G111 N112 Y114 H173C102-L109 WeakPolarHBondContact CB-O 3.43Å; C102-G111 PolarHBondContact O-N 2.92Å; C102-N112 HydrophobicContact CB-CB 4.35Å; C102-N112 WeakPolarHBondContact CB-O 3.47Å; C102-N112 PolarHBondContact N-O 3.4Å; C102-Y114 VanDerWaalsContact SG-CE2 3.58Å; C102-H173 CarbonylContact C-O 3.55Å; C102-H173 WeakPolarHBondContact CA-O 3Å
103D90.9Very high92.1Very high40 Ų4031.5 Ų31.521%0.21416%0.164CC..  trans-103.933.1171.1-16649.4000110.6N54 H173 K175N54-D103 PolarHBondContact ND2-OD1 3.06Å; D103-H173 PolarHBondContact N-O 2.74Å; D103-K175 HydrophobicContact CB-CB 4.07Å
104N91.5Very high92.3Very high3 Ų330.3 Ų30.32%0.01616%0.159CC..  trans-67.7149.9171.7-72.983000110.2L109 V110 F171 H173N104-L109 HydrophobicContact CB-CB 3.51Å; N104-V110 VanDerWaalsContact O-CA 3.27Å; N104-V110 WeakPolarHBondContact O-CA 3.4Å; N104-V110 VanDerWaalsContact O-CB 3.26Å; N104-V110 WeakPolarHBondContact O-CB 3.32Å; N104-V110 VanDerWaalsContact O-CG2 3.3Å; N104-V110 WeakPolarHBondContact O-CG2 3.43Å; N104-F171 PolarHBondContact ND2-O 2.93Å; N104-H173 PolarHBondContact OD1-N 3.25Å
105L87.4Confident92.5Very high99 Ų9929.6 Ų29.652%0.51815%0.152SC..  trans-92.8-9.1172.6-61175.5000113.2
106G87.8Confident92.6Very high5 Ų528.2 Ų28.25%0.05215%0.145CC..SBendtrans-84.9137.3-177.600000111.7H108 L109 V110 G167G106-H108 PolarHBondContact O-N 3.22Å; G106-L109 PolarHBondContact O-N 3.36Å; G106-V110 WeakPolarHBondContact O-CB 3.4Å; G106-V110 PolarHBondContact O-N 3.43Å; G106-G167 WeakPolarHBondContact CA-O 3.43Å
107D87.1Confident92.7Very high156 Ų15628.2 Ų28.283%0.83415%0.145SC*.THydrogen-bonded Turntrans-51.6-26.8-174.4-57.9-12.4000115.4
108H90.3Very high92.7Very high32 Ų3230.8 Ų30.815%0.14815%0.151CC..THydrogen-bonded Turntrans-84.7-15.3-177.863.3-71.6000114.1A26 G106 N112A26-H108 VanDerWaalsContact CB-O 3.32Å; A26-H108 WeakPolarHBondContact CB-O 3.09Å; G106-H108 PolarHBondContact O-N 3.22Å; H108-N112 PolarHBondContact O-ND2 3.1Å; H108-N112 VanDerWaalsContact O-ND2 3.1Å
109L91.9Very high92.8Very high0 Ų030.8 Ų30.80%015%0.154CC..THydrogen-bonded Turntrans-128.9-16.1-176.7-76171.6000113.8I24 A26 C102 N104 G106 G111 N112 M172I24-L109 HydrophobicContact CG2-CD1 4.36Å; I24-L109 HydrophobicContact CG2-CD2 3.85Å; A26-L109 HydrophobicContact CB-CD2 3.67Å; A26-L109 HydrophobicContact CB-CG 4.25Å; C102-L109 WeakPolarHBondContact CB-O 3.43Å; N104-L109 HydrophobicContact CB-CB 3.51Å; G106-L109 PolarHBondContact O-N 3.36Å; L109-G111 PolarHBondContact O-N 3.23Å; L109-N112 PolarHBondContact O-N 3.34Å; L109-M172 HydrophobicContact CD2-CG 4.41Å
110V91.9Very high92.9Very high30 Ų3034.4 Ų34.418%0.18217%0.171CC..THydrogen-bonded Turntrans-57.2124.9-177.760.70000110.9N104 G106 N112N104-V110 VanDerWaalsContact O-CA 3.27Å; N104-V110 WeakPolarHBondContact O-CA 3.4Å; N104-V110 VanDerWaalsContact O-CB 3.26Å; N104-V110 WeakPolarHBondContact O-CB 3.32Å; N104-V110 VanDerWaalsContact O-CG2 3.3Å; N104-V110 WeakPolarHBondContact O-CG2 3.43Å; G106-V110 WeakPolarHBondContact O-CB 3.4Å; G106-V110 PolarHBondContact O-N 3.43Å; V110-N112 PolarHBondContact O-N 3.32Å; V110-N112 VanDerWaalsContact O-N 3.1Å; V110-N112 PolarHBondContact O-OD1 2.85Å
111G90.6Very high92.9Very high1 Ų139.5 Ų39.51%0.0119%0.194CC..THydrogen-bonded Turntrans68.29.3174.900000115.4I51 Y52 C102 L109I51-G111 PolarHBondContact N-O 2.82Å; Y52-G111 PolarHBondContact N-O 3.08Å; Y52-G111 WeakPolarHBondContact O-CA 3.46Å; C102-G111 PolarHBondContact O-N 2.92Å; L109-G111 PolarHBondContact O-N 3.23Å
112N95Very high92.9Very high6 Ų640.3 Ų40.33%0.03220%0.198CC..  trans-71.3132.4178-72.5-2000110.5L48 L49 N50 C102 H108 L109 V110 Y114L48-N112 WeakPolarHBondContact O-CA 3.47Å; L49-N112 WeakPolarHBondContact CA-OD1 3.45Å; N50-N112 PolarHBondContact N-OD1 2.99Å; N50-N112 VanDerWaalsContact N-OD1 3.08Å; C102-N112 HydrophobicContact CB-CB 4.35Å; C102-N112 WeakPolarHBondContact CB-O 3.47Å; C102-N112 PolarHBondContact N-O 3.4Å; H108-N112 PolarHBondContact O-ND2 3.1Å; H108-N112 VanDerWaalsContact O-ND2 3.1Å; L109-N112 PolarHBondContact O-N 3.34Å; V110-N112 PolarHBondContact O-N 3.32Å; V110-N112 VanDerWaalsContact O-N 3.1Å; V110-N112 PolarHBondContact O-OD1 2.85Å; N112-Y114 HydrophobicContact CB-CE2 3.77Å
113V95.6Very high93Very high0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-111.5123.4173.6179.40000108.6A47 L48 I51 F81 V85 M99 N100 V101 V115A47-V113 CarbonylContact C-O 3.57Å; A47-V113 WeakPolarHBondContact CA-O 3.13Å; L48-V113 HydrophobicContact CB-CB 4.23Å; L48-V113 PolarHBondContact N-O 2.95Å; L48-V113 PolarHBondContact O-N 3.03Å; I51-V113 HydrophobicContact CG2-CB 3.8Å; I51-V113 HydrophobicContact CG2-CG2 3.26Å; F81-V113 HydrophobicContact CE1-CG2 4.16Å; F81-V113 HydrophobicContact CZ-CG2 4.06Å; V85-V113 HydrophobicContact CG1-CG1 4.47Å; M99-V113 HydrophobicContact CG-CG1 4.11Å; M99-V113 HydrophobicContact SD-CG1 4.26Å; N100-V113 WeakPolarHBondContact O-CA 3.07Å; V101-V113 HydrophobicContact CB-CG2 4.37Å; V101-V113 HydrophobicContact CG1-CG2 3.98Å; V101-V113 HydrophobicContact CG2-CG1 4.31Å; V101-V113 HydrophobicContact CG2-CG2 3.99Å; V113-V115 HydrophobicContact CG1-CG2 4.1Å
114Y96.6Very high93.2Very high1 Ų143.3 Ų43.30%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-103.5127.8175.6-64.5-91.9000109.2I24 I46 A47 M99 N100 C102 N112 V147 F150 M172I24-Y114 PolarHBondContact O-OH 3.28Å; I24-Y114 VanDerWaalsContact O-OH 3.08Å; I46-Y114 WeakPolarHBondContact O-CA 3.11Å; A47-Y114 HydrophobicContact CB-CD1 3.89Å; A47-Y114 HydrophobicContact CB-CE1 3.71Å; M99-Y114 CarbonylContact C-O 3.54Å; M99-Y114 WeakPolarHBondContact CA-O 3.42Å; N100-Y114 PolarHBondContact N-O 2.75Å; N100-Y114 PolarHBondContact O-N 3.32Å; C102-Y114 VanDerWaalsContact SG-CE2 3.58Å; N112-Y114 HydrophobicContact CB-CE2 3.77Å; Y114-V147 HydrophobicContact CE1-CG2 4.35Å; Y114-F150 VanDerWaalsContact CB-CE1 3.44Å; Y114-F150 HydrophobicContact CD1-CE1 4.33Å; Y114-F150 AromaticContact CG-CE1 3.91Å; Y114-F150 HydrophobicContact CG-CE1 3.91Å; Y114-M172 HydrophobicContact CD1-CE 4.09Å; Y114-M172 HydrophobicContact CD2-CE 3.83Å; Y114-M172 HydrophobicContact CD2-SD 4.07Å; Y114-M172 HydrophobicContact CE1-CE 3.66Å; Y114-M172 HydrophobicContact CE2-CE 3.4Å; Y114-M172 HydrophobicContact CE2-SD 3.97Å; Y114-M172 HydrophobicContact CG-CE 4.16Å
115V96.3Very high93.4Very high0 Ų048.3 Ų48.30%023%0.232CC..EExtended strand (participates in β ladder)trans-122.7120.5177.6-1710000107.5T45 I46 M89 V96 M99 V113 F117T45-V115 CarbonylContact C-O 3.57Å; T45-V115 WeakPolarHBondContact CA-O 2.92Å; I46-V115 HydrophobicContact CD1-CB 4.25Å; I46-V115 HydrophobicContact CD1-CG2 4.5Å; I46-V115 HydrophobicContact CG1-CB 3.76Å; I46-V115 HydrophobicContact CG1-CG2 4.31Å; I46-V115 PolarHBondContact N-O 3.09Å; I46-V115 PolarHBondContact O-N 3.25Å; M89-V115 HydrophobicContact CB-CG1 4.38Å; M89-V115 HydrophobicContact CG-CG1 4.33Å; M89-V115 HydrophobicContact CG-CG2 4.36Å; V96-V115 HydrophobicContact CB-CG1 4.46Å; V96-V115 HydrophobicContact CG1-CG1 3.74Å; V96-V115 HydrophobicContact CG2-CG1 3.87Å; M99-V115 HydrophobicContact CG-CG2 4.01Å; M99-V115 HydrophobicContact SD-CG2 4.01Å; V113-V115 HydrophobicContact CG1-CG2 4.1Å; V115-F117 HydrophobicContact CB-CE2 4.34Å; V115-F117 HydrophobicContact CG1-CD2 4.45Å; V115-F117 HydrophobicContact CG1-CE1 4.3Å; V115-F117 HydrophobicContact CG1-CE2 3.96Å; V115-F117 HydrophobicContact CG1-CZ 3.88Å
116K95.9Very high93.8Very high35 Ų3543.6 Ų43.615%0.15221%0.208CC..EExtended strand (participates in β ladder)trans-102.4116.7174-177.8176.1177.5179.50109.1Q44 T45 V96 E97 E98 T148 F150Q44-K116 HydrophobicContact CB-CG 4.35Å; T45-K116 HydrophobicContact CG2-CB 4.45Å; V96-K116 CarbonylContact C-O 3.5Å; E97-K116 HydrophobicContact CB-CG 4.41Å; E97-K116 PolarHBondContact N-O 3.49Å; E97-K116 WeakPolarHBondContact OE2-CE 3.29Å; E97-K116 IonicContact OE2-NZ 2.77Å; E98-K116 HydrophobicContact CB-CB 4.41Å; E98-K116 PolarHBondContact N-O 3.1Å; E98-K116 PolarHBondContact O-N 3.13Å; K116-T148 PolarHBondContact NZ-O 3.25Å; K116-F150 HydrophobicContact CB-CE2 4.02Å; K116-F150 HydrophobicContact CB-CZ 4.46Å; K116-F150 HydrophobicContact CD-CE2 4.38Å
117F95.8Very high94.1Very high0 Ų044.4 Ų44.40%021%0.211CC..EExtended strand (participates in β ladder)trans-86.8163173.6-65.7-81.8000111.2Q44 I46 M89 Y93 V96 V115 D122 A123 A126Q44-F117 PolarHBondContact O-N 3.04Å; I46-F117 HydrophobicContact CD1-CE2 3.73Å; I46-F117 HydrophobicContact CD1-CZ 4.29Å; I46-F117 HydrophobicContact CG1-CE2 3.87Å; I46-F117 HydrophobicContact CG2-CD2 4.41Å; I46-F117 HydrophobicContact CG2-CE2 4.14Å; M89-F117 HydrophobicContact CB-CE1 4.21Å; M89-F117 HydrophobicContact CB-CZ 4.19Å; M89-F117 HydrophobicContact SD-CZ 4.19Å; Y93-F117 HydrophobicContact CD2-CZ 4.32Å; V96-F117 HydrophobicContact CG2-CD1 4.07Å; V96-F117 HydrophobicContact CG2-CE1 3.81Å; V115-F117 HydrophobicContact CB-CE2 4.34Å; V115-F117 HydrophobicContact CG1-CD2 4.45Å; V115-F117 HydrophobicContact CG1-CE1 4.3Å; V115-F117 HydrophobicContact CG1-CE2 3.96Å; V115-F117 HydrophobicContact CG1-CZ 3.88Å; F117-D122 HydrophobicContact CB-CB 4.42Å; F117-D122 HydrophobicContact CD1-CB 4.32Å; F117-D122 HydrophobicContact CG-CB 4.37Å; F117-A123 HydrophobicContact CD2-CB 3.78Å; F117-A123 HydrophobicContact CE2-CB 4.43Å; F117-A126 HydrophobicContact CE2-CB 4.03Å; F117-A126 HydrophobicContact CZ-CB 4.01Å
118R93.9Very high94.4Very high132 Ų13241.8 Ų41.850%0.49820%0.196SC..SBendtrans-71.7-36.2172.2-176.3173.2-179.4150.63.4112.9E95 E97E95-R118 HydrophobicContact CB-CB 4.14Å; E95-R118 HydrophobicContact CG-CB 4.5Å; E95-R118 PolarHBondContact O-N 3.25Å; E95-R118 IonicContact OE1-NH1 3.48Å; E95-R118 PolarHBondContact OE1-NH1 3.03Å; E95-R118 WeakPolarHBondContact OE2-CD 3.27Å; E95-R118 IonicContact OE2-CZ 3.69Å; E95-R118 IonicContact OE2-NE 3.77Å; E95-R118 IonicContact OE2-NH1 2.84Å; E95-R118 PolarHBondContact OE2-NH1 3.22Å; E97-R118 HydrophobicContact CG-CB 4.13Å
119N94.3Very high94.7Very high77 Ų7743.5 Ų43.541%0.41221%0.207SC..SBendtrans-116.6145.7-179.4-48.1-52000110.6D122N119-D122 WeakPolarHBondContact CB-OD2 3.49Å; N119-D122 PolarHBondContact ND2-OD2 2.95Å; N119-D122 PolarHBondContact O-N 2.88Å
120E94.1Very high94.8Very high80 Ų8043.5 Ų43.537%0.37421%0.207SC..Hα-helixtrans-71.1-32178.6-64.8173.8-173.500112.3F42 Q44 D122 A123 E124F42-E120 WeakPolarHBondContact CD2-OE2 3.29Å; Q44-E120 HydrophobicContact CB-CG 4.4Å; Q44-E120 HydrophobicContact CG-CG 3.37Å; Q44-E120 PolarHBondContact NE2-OE1 3.17Å; E120-D122 VanDerWaalsContact C-N 3.27Å; E120-D122 PolarHBondContact O-N 3.27Å; E120-A123 WeakPolarHBondContact O-CB 3.49Å; E120-A123 PolarHBondContact O-N 2.57Å; E120-E124 PolarHBondContact O-N 3.02Å; E120-E124 VanDerWaalsContact O-N 3.13Å
121E95Very high94.9Very high131 Ų13145.2 Ų45.261%0.61222%0.215SC*.Hα-helixtrans-63.3-33.8177.3-61.3-178.9-171.700112.5K125E121-K125 VanDerWaalsContact O-CG 3.28Å; E121-K125 WeakPolarHBondContact O-CG 3.3Å; E121-K125 PolarHBondContact O-N 3.21Å; E121-K125 VanDerWaalsContact O-N 3.14Å
122D95.8Very high95Very high18 Ų1851.3 Ų51.310%0.09625%0.247CC..Hα-helixtrans-73.1-37.2-179-59.7-25000110.2F117 N119 E120 K125 A126F117-D122 HydrophobicContact CB-CB 4.42Å; F117-D122 HydrophobicContact CD1-CB 4.32Å; F117-D122 HydrophobicContact CG-CB 4.37Å; N119-D122 WeakPolarHBondContact CB-OD2 3.49Å; N119-D122 PolarHBondContact ND2-OD2 2.95Å; N119-D122 PolarHBondContact O-N 2.88Å; E120-D122 VanDerWaalsContact C-N 3.27Å; E120-D122 PolarHBondContact O-N 3.27Å; D122-K125 PolarHBondContact O-N 3.21Å; D122-K125 IonicContact OD1-NZ 3.75Å; D122-A126 WeakPolarHBondContact O-CB 3.47Å; D122-A126 PolarHBondContact O-N 3.3Å
123A95.6Very high94.8Very high0 Ų054 Ų540%026%0.257CS..Hα-helixtrans-62.8-43.7173.400000112.2S43 I46 F117 E120 A126 V127 L144S43-A123 WeakPolarHBondContact O-CB 3.36Å; I46-A123 HydrophobicContact CG2-CB 3.62Å; F117-A123 HydrophobicContact CD2-CB 3.78Å; F117-A123 HydrophobicContact CE2-CB 4.43Å; E120-A123 WeakPolarHBondContact O-CB 3.49Å; E120-A123 PolarHBondContact O-N 2.57Å; A123-A126 PolarHBondContact O-N 2.79Å; A123-V127 WeakPolarHBondContact O-CG2 3.36Å; A123-V127 PolarHBondContact O-N 2.96Å; A123-L144 HydrophobicContact CB-CD2 4.19Å
124E94.9Very high94.6Very high104 Ų10462.4 Ų62.449%0.48629%0.289SS..Hα-helixtrans-63.1-47.1177.5-173.6177.7-165.600111.6E120 A126 V127 I128E120-E124 PolarHBondContact O-N 3.02Å; E120-E124 VanDerWaalsContact O-N 3.13Å; E124-A126 VanDerWaalsContact C-N 3.3Å; E124-A126 PolarHBondContact O-N 3.47Å; E124-V127 PolarHBondContact O-N 3.35Å; E124-I128 HydrophobicContact CG-CD1 4.1Å; E124-I128 WeakPolarHBondContact O-CG1 3.41Å; E124-I128 PolarHBondContact O-N 3.07Å; E124-I128 VanDerWaalsContact O-N 3.13Å
125K94.9Very high94.1Very high108 Ų10863.6 Ų63.647%0.4729%0.294SS..Hα-helixtrans-58.6-43.2175.3-69.7167.4-163.2156.40111.6E121 D122 I128 D129E121-K125 VanDerWaalsContact O-CG 3.28Å; E121-K125 WeakPolarHBondContact O-CG 3.3Å; E121-K125 PolarHBondContact O-N 3.21Å; E121-K125 VanDerWaalsContact O-N 3.14Å; D122-K125 PolarHBondContact O-N 3.21Å; D122-K125 IonicContact OD1-NZ 3.75Å; K125-I128 PolarHBondContact O-N 3.48Å; K125-D129 PolarHBondContact O-N 3.32Å
126A95.4Very high93.5Very high0 Ų070.3 Ų70.30%033%0.33CS..Hα-helixtrans-59.8-46.8178.100000111.8I46 Y93 F117 D122 A123 E124 I128 D129 L130I46-A126 HydrophobicContact CD1-CB 4.06Å; Y93-A126 HydrophobicContact CD1-CB 3.87Å; Y93-A126 HydrophobicContact CD2-CB 3.63Å; Y93-A126 HydrophobicContact CE1-CB 4.19Å; Y93-A126 HydrophobicContact CE2-CB 3.97Å; Y93-A126 HydrophobicContact CG-CB 3.58Å; F117-A126 HydrophobicContact CE2-CB 4.03Å; F117-A126 HydrophobicContact CZ-CB 4.01Å; D122-A126 WeakPolarHBondContact O-CB 3.47Å; D122-A126 PolarHBondContact O-N 3.3Å; A123-A126 PolarHBondContact O-N 2.79Å; E124-A126 VanDerWaalsContact C-N 3.3Å; E124-A126 PolarHBondContact O-N 3.47Å; A126-I128 VanDerWaalsContact C-N 3.34Å; A126-I128 PolarHBondContact O-N 3.15Å; A126-D129 PolarHBondContact O-N 2.91Å; A126-L130 HydrophobicContact CB-CD1 4.23Å; A126-L130 WeakPolarHBondContact O-CB 3.45Å; A126-L130 WeakPolarHBondContact O-CD1 3.38Å; A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 3.06Å
127V95.2Very high92.9Very high21 Ų2171.7 Ų71.713%0.12735%0.354CS..Hα-helixtrans-61.7-42.1179.1170.10000111.8I46 A123 E124 N131 A142 L144I46-V127 HydrophobicContact CB-CG2 4.1Å; I46-V127 HydrophobicContact CG2-CG2 3.66Å; A123-V127 WeakPolarHBondContact O-CG2 3.36Å; A123-V127 PolarHBondContact O-N 2.96Å; E124-V127 PolarHBondContact O-N 3.35Å; V127-N131 WeakPolarHBondContact CG1-ND2 2.9Å; V127-N131 WeakPolarHBondContact O-CB 3.44Å; V127-N131 PolarHBondContact O-N 3.08Å; V127-N131 PolarHBondContact O-ND2 3.42Å; V127-A142 HydrophobicContact CG1-CB 4.49Å; V127-A142 HydrophobicContact CG2-CB 4.36Å; V127-L144 HydrophobicContact CG2-CD2 3.95Å; V127-L144 HydrophobicContact CG2-CG 4.25Å
128I94.1Very high92.5Very high102 Ų10275.3 Ų75.352%0.52337%0.371SS..Hα-helixtrans-66-45.9-179.2-65.4166.5000110.9E124 K125 A126 N132E124-I128 HydrophobicContact CG-CD1 4.1Å; E124-I128 WeakPolarHBondContact O-CG1 3.41Å; E124-I128 PolarHBondContact O-N 3.07Å; E124-I128 VanDerWaalsContact O-N 3.13Å; K125-I128 PolarHBondContact O-N 3.48Å; A126-I128 VanDerWaalsContact C-N 3.34Å; A126-I128 PolarHBondContact O-N 3.15Å; I128-N132 PolarHBondContact O-ND2 2.98Å
129D94.8Very high92.4Very high68 Ų6871.8 Ų71.836%0.36437%0.365SS..Hα-helixtrans-70.7-47.4-179.4-170.261.5000111.8Y93 K125 A126 N131 N132 R133Y93-D129 HydrophobicContact CE1-CB 3.8Å; Y93-D129 PolarHBondContact OH-OD2 3.5Å; K125-D129 PolarHBondContact O-N 3.32Å; A126-D129 PolarHBondContact O-N 2.91Å; D129-N131 VanDerWaalsContact C-N 3.33Å; D129-N131 PolarHBondContact O-N 3.31Å; D129-N132 PolarHBondContact O-N 3.21Å; D129-R133 WeakPolarHBondContact O-CG 3.49Å; D129-R133 VanDerWaalsContact OD2-CD 3.23Å; D129-R133 WeakPolarHBondContact OD2-CD 3.39Å; D129-R133 IonicContact OD2-NH1 3.85Å
130L94.4Very high92.3Very high0 Ų068.8 Ų68.80%035%0.349CS..Hα-helixtrans-62.2-37.6-174.9-69.8169.5000112.8I46 L48 M89 Y93 A126 N132 R133 I140 A142I46-L130 HydrophobicContact CD1-CD1 4.04Å; L48-L130 HydrophobicContact CD2-CD1 3.64Å; M89-L130 HydrophobicContact CE-CD1 3.66Å; M89-L130 HydrophobicContact CE-CD2 3.89Å; M89-L130 HydrophobicContact CE-CG 4.43Å; M89-L130 HydrophobicContact SD-CD1 3.91Å; Y93-L130 HydrophobicContact CE2-CD1 4.16Å; Y93-L130 HydrophobicContact CE2-CD2 4.15Å; Y93-L130 HydrophobicContact CE2-CG 4.11Å; Y93-L130 VanDerWaalsContact OH-CD2 3.23Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.24Å; Y93-L130 VanDerWaalsContact OH-CG 3.32Å; Y93-L130 WeakPolarHBondContact OH-CG 3.32Å; A126-L130 HydrophobicContact CB-CD1 4.23Å; A126-L130 WeakPolarHBondContact O-CB 3.45Å; A126-L130 WeakPolarHBondContact O-CD1 3.38Å; A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 3.06Å; L130-N132 PolarHBondContact O-N 3.01Å; L130-N132 VanDerWaalsContact O-N 3.09Å; L130-R133 WeakPolarHBondContact O-CB 3.42Å; L130-R133 PolarHBondContact O-N 2.68Å; L130-I140 HydrophobicContact CB-CG2 4.15Å; L130-I140 HydrophobicContact CD2-CD1 4.19Å; L130-I140 WeakPolarHBondContact O-CB 3.5Å; L130-A142 HydrophobicContact CB-CB 3.85Å; L130-A142 HydrophobicContact CD1-CB 4.35Å
131N94.2Very high92.3Very high66 Ų6670.1 Ų70.135%0.35336%0.355SS..THydrogen-bonded Turntrans-64-14.7177.2-81.4-54.2000114V127 D129 I140 A142V127-N131 WeakPolarHBondContact CG1-ND2 2.9Å; V127-N131 WeakPolarHBondContact O-CB 3.44Å; V127-N131 PolarHBondContact O-N 3.08Å; V127-N131 PolarHBondContact O-ND2 3.42Å; D129-N131 VanDerWaalsContact C-N 3.33Å; D129-N131 PolarHBondContact O-N 3.31Å; N131-I140 PolarHBondContact OD1-O 3.42Å; N131-A142 PolarHBondContact ND2-O 3.26Å; N131-A142 PolarHBondContact OD1-N 3.39Å; N131-A142 PolarHBondContact OD1-O 3.28Å
132N92.2Very high92.4Very high129 Ų12964.2 Ų64.269%0.6933%0.329SS*.THydrogen-bonded Turntrans-97.54.7175.2-66.3-64.9000112.9I128 D129 L130I128-N132 PolarHBondContact O-ND2 2.98Å; D129-N132 PolarHBondContact O-N 3.21Å; L130-N132 PolarHBondContact O-N 3.01Å; L130-N132 VanDerWaalsContact O-N 3.09Å
133R92.4Very high92.3Very high61 Ų6165.1 Ų65.123%0.2333%0.332CS..  trans-115.3163.4-173-67.1-176.961.7-160-11112.3E88 D129 L130 I140E88-R133 IonicContact OE1-CZ 3.06Å; E88-R133 IonicContact OE1-NH1 2.69Å; E88-R133 PolarHBondContact OE1-NH1 3.39Å; E88-R133 IonicContact OE1-NH2 3.5Å; E88-R133 PolarHBondContact OE1-NH2 3.38Å; E88-R133 IonicContact OE2-NH2 2.96Å; D129-R133 WeakPolarHBondContact O-CG 3.49Å; D129-R133 VanDerWaalsContact OD2-CD 3.23Å; D129-R133 WeakPolarHBondContact OD2-CD 3.39Å; D129-R133 IonicContact OD2-NH1 3.85Å; L130-R133 WeakPolarHBondContact O-CB 3.42Å; L130-R133 PolarHBondContact O-N 2.68Å; R133-I140 HydrophobicContact CB-CD1 4.03Å; R133-I140 PolarHBondContact O-N 3.13Å
134W90.4Very high92.4Very high177 Ų17766.3 Ų66.367%0.6734%0.338SS*.EExtended strand (participates in β ladder)trans-121.2139.2-178.2-68.262.1000109.4G137 Q138W134-G137 WeakPolarHBondContact CZ3-O 3.46Å; W134-Q138 CarbonylContact C-O 3.59Å; W134-Q138 WeakPolarHBondContact CA-O 3.43Å
135F86.7Confident92.4Very high27 Ų2761.4 Ų61.412%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-129.4126.2175.4-171.6-101.4000108.5I51 F81 G137 Q138 I140I51-F135 HydrophobicContact CD1-CB 4.39Å; I51-F135 HydrophobicContact CD1-CD1 4.13Å; I51-F135 HydrophobicContact CD1-CG 4.21Å; I51-F135 HydrophobicContact CG1-CD1 3.71Å; I51-F135 HydrophobicContact CG1-CE1 4.21Å; I51-F135 HydrophobicContact CG1-CG 4.26Å; F81-F135 HydrophobicContact CD2-CE1 4.07Å; F81-F135 AromaticContact CD2-CZ 3.9Å; F81-F135 HydrophobicContact CD2-CZ 3.9Å; F81-F135 AromaticContact CE2-CE1 3.69Å; F81-F135 HydrophobicContact CE2-CE1 3.69Å; F81-F135 AromaticContact CE2-CZ 3.82Å; F81-F135 HydrophobicContact CE2-CZ 3.82Å; F135-G137 PolarHBondContact O-N 2.99Å; F135-G137 VanDerWaalsContact O-N 3.13Å; F135-Q138 PolarHBondContact N-O 2.73Å; F135-Q138 PolarHBondContact O-N 2.89Å; F135-I140 HydrophobicContact CB-CD1 3.85Å; F135-I140 HydrophobicContact CB-CG1 3.67Å
136N83.4Confident92.3Very high141 Ų14156.9 Ų56.975%0.75430%0.298SS*.THydrogen-bonded Turntrans48.640.9-178.6-70.1-26.3000114.8Q138N136-Q138 VanDerWaalsContact C-N 3.29Å; N136-Q138 PolarHBondContact O-N 3.36Å
137G83.8Confident92.2Very high64 Ų6457 Ų5766%0.6630%0.298SS*.THydrogen-bonded Turntrans7611.4178.400000114.9W134 F135W134-G137 WeakPolarHBondContact CZ3-O 3.46Å; F135-G137 PolarHBondContact O-N 2.99Å; F135-G137 VanDerWaalsContact O-N 3.13Å
138Q86.3Confident92Very high75 Ų7560.8 Ų60.835%0.3532%0.322SS..EExtended strand (participates in β ladder)trans-121.5147.3174.3-58.8-155-63.400111.9W134 F135 N136W134-Q138 CarbonylContact C-O 3.59Å; W134-Q138 WeakPolarHBondContact CA-O 3.43Å; F135-Q138 PolarHBondContact N-O 2.73Å; F135-Q138 PolarHBondContact O-N 2.89Å; N136-Q138 VanDerWaalsContact C-N 3.29Å; N136-Q138 PolarHBondContact O-N 3.36Å
139P92.1Very high91.8Very high59 Ų5959.2 Ų59.238%0.38331%0.314SS..EExtended strand (participates in β ladder)trans-64.8139170.928.9-34.5000110
140I93.6Very high91.6Very high13 Ų1356.1 Ų56.17%0.06730%0.298CS..  trans-80.3132.1174.5-57.3171.8000108.3L48 I51 L130 N131 R133 F135L48-I140 HydrophobicContact CD2-CG2 4.25Å; I51-I140 HydrophobicContact CD1-CG1 4.42Å; I51-I140 HydrophobicContact CD1-CG2 4.3Å; L130-I140 HydrophobicContact CB-CG2 4.15Å; L130-I140 HydrophobicContact CD2-CD1 4.19Å; L130-I140 WeakPolarHBondContact O-CB 3.5Å; N131-I140 PolarHBondContact OD1-O 3.42Å; R133-I140 HydrophobicContact CB-CD1 4.03Å; R133-I140 PolarHBondContact O-N 3.13Å; F135-I140 HydrophobicContact CB-CD1 3.85Å; F135-I140 HydrophobicContact CB-CG1 3.67Å
141H94Very high91.4Very high108 Ų10865.7 Ų65.750%0.533%0.333SS..EExtended strand (participates in β ladder)trans-107103.8171.8-68.1-59000109.4L48 L49L48-H141 WeakPolarHBondContact CA-O 3.49Å; L49-H141 HydrophobicContact CB-CB 4.22Å; L49-H141 PolarHBondContact N-O 3.04Å
142A95.4Very high91.1Very high7 Ų767.6 Ų67.66%0.05834%0.34CS..EExtended strand (participates in β ladder)trans-108.3136.6178.600000110.4A47 L48 V127 L130 N131A47-A142 CarbonylContact O-C 3.59Å; A47-A142 WeakPolarHBondContact O-CA 3.47Å; L48-A142 HydrophobicContact CD2-CB 3.52Å; V127-A142 HydrophobicContact CG1-CB 4.49Å; V127-A142 HydrophobicContact CG2-CB 4.36Å; L130-A142 HydrophobicContact CB-CB 3.85Å; L130-A142 HydrophobicContact CD1-CB 4.35Å; N131-A142 PolarHBondContact ND2-O 3.26Å; N131-A142 PolarHBondContact OD1-N 3.39Å; N131-A142 PolarHBondContact OD1-O 3.28Å
143E95.3Very high91Very high37 Ų3761.5 Ų61.517%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-140.2155171.362.4175.1-168.800112.4K39 I46 A47 L49 S145K39-E143 IonicContact NZ-OE2 3.65Å; K39-E143 PolarHBondContact NZ-OE2 2.97Å; I46-E143 CarbonylContact C-O 3.52Å; I46-E143 WeakPolarHBondContact CA-O 3.4Å; A47-E143 HydrophobicContact CB-CG 4.37Å; A47-E143 PolarHBondContact N-O 2.95Å; A47-E143 PolarHBondContact O-N 2.8Å; L49-E143 HydrophobicContact CD1-CG 4.39Å; E143-S145 PolarHBondContact O-N 3.23Å
144L95.9Very high91Very high25 Ų2560 Ų6013%0.13131%0.306CS..EExtended strand (participates in β ladder)trans-68.6129.9170.8-65.7175.9000109.3P40 T41 I46 A123 V127P40-L144 HydrophobicContact CG-CB 4.04Å; T41-L144 WeakPolarHBondContact O-CD1 3.34Å; I46-L144 HydrophobicContact CG2-CD2 4.14Å; A123-L144 HydrophobicContact CB-CD2 4.19Å; V127-L144 HydrophobicContact CG2-CD2 3.95Å; V127-L144 HydrophobicContact CG2-CG 4.25Å
145S95.4Very high91.2Very high1 Ų151.9 Ų51.91%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-104.4136.4-177.5179.40000110.6S43 T45 E143 V147S43-S145 WeakPolarHBondContact CB-O 3.36Å; S43-S145 PolarHBondContact OG-O 3.36Å; T45-S145 PolarHBondContact O-N 2.88Å; E143-S145 PolarHBondContact O-N 3.23Å; S145-V147 PolarHBondContact O-N 3.35Å; S145-V147 VanDerWaalsContact OG-CG2 3.25Å; S145-V147 WeakPolarHBondContact OG-CG2 3.42Å; S145-V147 PolarHBondContact OG-N 2.99Å
146P93.6Very high91.5Very high14 Ų1459.4 Ų59.49%0.09130%0.304CS..  trans-73.1-4.7175.232.4-37.4000113.4Y21 P40 T148Y21-P146 HydrophobicContact CD1-CG 4.26Å; Y21-P146 HydrophobicContact CE1-CG 3.94Å; Y21-P146 WeakPolarHBondContact O-CG 3.36Å; P40-P146 HydrophobicContact CG-CB 4.38Å; P146-T148 PolarHBondContact O-N 3.49Å
147V93.7Very high91.8Very high1 Ų156.8 Ų56.81%0.00629%0.287CS..  trans-67.7116.3-174.5-179.60000110.8I24 G25 T45 Y114 S145 F150 A153 M172I24-V147 WeakPolarHBondContact O-CG2 3.21Å; G25-V147 VanDerWaalsContact N-CG2 3.31Å; T45-V147 VanDerWaalsContact CB-O 3.25Å; T45-V147 WeakPolarHBondContact CB-O 3.24Å; T45-V147 HydrophobicContact CG2-CB 4.45Å; T45-V147 PolarHBondContact OG1-O 3.39Å; Y114-V147 HydrophobicContact CE1-CG2 4.35Å; S145-V147 PolarHBondContact O-N 3.35Å; S145-V147 VanDerWaalsContact OG-CG2 3.25Å; S145-V147 WeakPolarHBondContact OG-CG2 3.42Å; S145-V147 PolarHBondContact OG-N 2.99Å; V147-F150 HydrophobicContact CG1-CD1 3.87Å; V147-F150 HydrophobicContact CG1-CE1 3.8Å; V147-F150 HydrophobicContact CG1-CG 4.49Å; V147-F150 HydrophobicContact CG1-CZ 4.4Å; V147-A153 HydrophobicContact CG1-CB 4.47Å; V147-M172 HydrophobicContact CG2-CE 4.12Å
148T89.7Confident92.2Very high102 Ų10257 Ų5763%0.62627%0.269SS*.  trans-101.5-33.5176.5550000113.5K116 P146K116-T148 PolarHBondContact NZ-O 3.25Å; P146-T148 PolarHBondContact O-N 3.49Å
149D90.1Very high92.3Very high68 Ų6861 Ų6136%0.36429%0.288SS..  trans-130.2109.8-177.8-172.9-5000110.8R151 E152D149-R151 PolarHBondContact O-N 3.01Å; D149-R151 VanDerWaalsContact OD1-CB 3.23Å; D149-R151 WeakPolarHBondContact OD1-CB 3.43Å; D149-R151 WeakPolarHBondContact OD1-CG 3.26Å; D149-R151 PolarHBondContact OD1-N 2.87Å; D149-E152 PolarHBondContact O-N 3.32Å
150F91.9Very high92.1Very high4 Ų464.6 Ų64.62%0.01830%0.301CS..Hα-helixtrans-66.2-24177.9-67.5-71.2000113T45 E98 N100 Y114 K116 V147 E152 A153 C154 M172T45-F150 HydrophobicContact CG2-CZ 3.86Å; E98-F150 HydrophobicContact CB-CE2 4.34Å; E98-F150 HydrophobicContact CG-CD2 4.22Å; E98-F150 HydrophobicContact CG-CE2 4.33Å; N100-F150 VanDerWaalsContact ND2-CD2 3.32Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.48Å; N100-F150 WeakPolarHBondContact ND2-CG 3.4Å; Y114-F150 VanDerWaalsContact CB-CE1 3.44Å; Y114-F150 HydrophobicContact CD1-CE1 4.33Å; Y114-F150 AromaticContact CG-CE1 3.91Å; Y114-F150 HydrophobicContact CG-CE1 3.91Å; K116-F150 HydrophobicContact CB-CE2 4.02Å; K116-F150 HydrophobicContact CB-CZ 4.46Å; K116-F150 HydrophobicContact CD-CE2 4.38Å; V147-F150 HydrophobicContact CG1-CD1 3.87Å; V147-F150 HydrophobicContact CG1-CE1 3.8Å; V147-F150 HydrophobicContact CG1-CG 4.49Å; V147-F150 HydrophobicContact CG1-CZ 4.4Å; F150-E152 VanDerWaalsContact C-N 3.26Å; F150-E152 PolarHBondContact O-N 3.36Å; F150-A153 CarbonylContact O-C 3.57Å; F150-A153 PolarHBondContact O-N 2.81Å; F150-C154 WeakPolarHBondContact O-CB 3.36Å; F150-C154 PolarHBondContact O-N 3.03Å; F150-C154 PolarHBondContact O-SG 3.4Å; F150-M172 HydrophobicContact CD1-SD 4.07Å; F150-M172 HydrophobicContact CE1-SD 4.49Å
151R88.8Confident91.7Very high200 Ų20067.2 Ų67.276%0.75533%0.331SS*.Hα-helixtrans-66.5-30.6-178.6-59.5173.965.4-156.7-0.7112.5D149D149-R151 PolarHBondContact O-N 3.01Å; D149-R151 VanDerWaalsContact OD1-CB 3.23Å; D149-R151 WeakPolarHBondContact OD1-CB 3.43Å; D149-R151 WeakPolarHBondContact OD1-CG 3.26Å; D149-R151 PolarHBondContact OD1-N 2.87Å
152E88.1Confident91.6Very high107 Ų10768.4 Ų68.450%0.534%0.336SS..Hα-helixtrans-79.6-25.6172.4-67.4-147163.900112.5K23 D149 F150K23-E152 IonicContact NZ-OE2 2.8Å; K23-E152 PolarHBondContact NZ-OE2 3.39Å; D149-E152 PolarHBondContact O-N 3.32Å; F150-E152 VanDerWaalsContact C-N 3.26Å; F150-E152 PolarHBondContact O-N 3.36Å
153A90.9Very high91.4Very high0 Ų069.1 Ų69.10%034%0.341CS..Hα-helixtrans-83.6-26.1-178.700000113.7K23 I24 V147 F150 M172K23-A153 WeakPolarHBondContact O-CB 3.34Å; I24-A153 VanDerWaalsContact CD1-CA 3.46Å; I24-A153 HydrophobicContact CD1-CB 3.84Å; V147-A153 HydrophobicContact CG1-CB 4.47Å; F150-A153 CarbonylContact O-C 3.57Å; F150-A153 PolarHBondContact O-N 2.81Å; A153-M172 HydrophobicContact CB-CE 3.87Å; A153-M172 HydrophobicContact CB-CG 4.21Å; A153-M172 HydrophobicContact CB-SD 3.75Å; A153-M172 PolarHBondContact O-N 3.1Å
154C92.9Very high91.2Very high29 Ų2973.9 Ų73.920%0.19637%0.373CS..BIsolated β-bridgetrans-73.6142.7-178-68.90000113.2F150 R156 L174F150-C154 WeakPolarHBondContact O-CB 3.36Å; F150-C154 PolarHBondContact O-N 3.03Å; F150-C154 PolarHBondContact O-SG 3.4Å; C154-R156 PolarHBondContact O-N 2.88Å; C154-L174 WeakPolarHBondContact SG-CD1 3.26Å
155C93.9Very high90.9Very high7 Ų778.4 Ų78.45%0.04739%0.388CS..  trans-76.3105.5171.7-175.40000110.3Q157 Y158 E159 C163 F171 M172 H173C155-Q157 PolarHBondContact O-N 2.86Å; C155-Y158 PolarHBondContact O-N 3.24Å; C155-Y158 PolarHBondContact SG-N 2.98Å; C155-E159 PolarHBondContact O-N 2.8Å; C155-C163 VanDerWaalsContact SG-SG 3.65Å; C155-F171 HydrophobicContact CB-CB 3.63Å; C155-M172 PolarHBondContact N-O 3.24Å; C155-H173 WeakPolarHBondContact CB-CD2 3.32Å
156R91.7Very high90.4Very high185 Ų18579.7 Ų79.770%0.69840%0.402SS*.Hα-helixtrans-58.8-33.9176.9-63.9-174.8-176176.41.7113.6C154 Y158 E159 M160C154-R156 PolarHBondContact O-N 2.88Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-E159 PolarHBondContact O-N 2.92Å; R156-M160 WeakPolarHBondContact O-CG 3.17Å; R156-M160 PolarHBondContact O-N 3.23Å
157Q91.6Very high90.1Very high86 Ų8680.4 Ų80.440%0.40241%0.411SS..Hα-helixtrans-68.5-34.6177.3-67.6178.6-30.300111.6C155 M160 G161 E162 C163C155-Q157 PolarHBondContact O-N 2.86Å; Q157-M160 PolarHBondContact O-N 3.02Å; Q157-G161 PolarHBondContact O-N 2.94Å; Q157-E162 PolarHBondContact O-N 3.04Å; Q157-C163 HydrophobicContact CB-CB 4.05Å; Q157-C163 PolarHBondContact O-N 2.82Å
158Y90.4Very high89.9Confident69 Ų6988.8 Ų88.827%0.27145%0.448SS..Hα-helixtrans-73.3-37.8177.4-176.8-94.9000111.3C155 R156 M160 G161 C163 H173C155-Y158 PolarHBondContact O-N 3.24Å; C155-Y158 PolarHBondContact SG-N 2.98Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; Y158-M160 PolarHBondContact O-N 2.86Å; Y158-M160 VanDerWaalsContact O-N 3.17Å; Y158-G161 PolarHBondContact O-N 3.36Å; Y158-C163 HydrophobicContact CD2-CB 4.27Å; Y158-H173 HydrophobicContact CD1-CB 3.72Å; Y158-H173 AromaticContact CD1-CG 3.94Å; Y158-H173 HydrophobicContact CD2-CB 3.96Å; Y158-H173 AromaticContact CD2-CD2 4Å; Y158-H173 AromaticContact CD2-CE1 3.61Å; Y158-H173 AromaticContact CD2-CG 3.5Å; Y158-H173 VanDerWaalsContact CD2-CG 3.5Å; Y158-H173 AromaticContact CD2-ND1 3.24Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.44Å; Y158-H173 HydrophobicContact CE1-CB 3.75Å; Y158-H173 HydrophobicContact CE2-CB 3.97Å; Y158-H173 AromaticContact CE2-CG 3.91Å; Y158-H173 AromaticContact CE2-ND1 3.59Å; Y158-H173 HydrophobicContact CG-CB 3.82Å; Y158-H173 AromaticContact CG-CD2 3.7Å; Y158-H173 AromaticContact CG-CG 3.5Å; Y158-H173 VanDerWaalsContact CG-CG 3.5Å; Y158-H173 AromaticContact CG-ND1 3.75Å
159E88.4Confident90.1Very high160 Ų16083.9 Ų83.975%0.74842%0.418SS*.Hα-helixtrans-55.7-31171.4-173.4179.4-149.900112.2C155 R156C155-E159 PolarHBondContact O-N 2.8Å; R156-E159 PolarHBondContact O-N 2.92Å
160M88.3Confident90.2Very high133 Ų13381.9 Ų81.966%0.65541%0.407SS*.THydrogen-bonded Turntrans-89.2-4.6174.8-62.8179.5-177.200114.1R156 Q157 Y158 E162R156-M160 WeakPolarHBondContact O-CG 3.17Å; R156-M160 PolarHBondContact O-N 3.23Å; Q157-M160 PolarHBondContact O-N 3.02Å; Y158-M160 PolarHBondContact O-N 2.86Å; Y158-M160 VanDerWaalsContact O-N 3.17Å; M160-E162 HydrophobicContact CB-CG 4.42Å
161G86.8Confident90.3Very high68 Ų6884.7 Ų84.770%0.70142%0.42SS*.THydrogen-bonded Turntrans78.713.8-177.700000115.2Q157 Y158Q157-G161 PolarHBondContact O-N 2.94Å; Y158-G161 PolarHBondContact O-N 3.36Å
162E91.5Very high90.5Very high133 Ų13375.2 Ų75.262%0.62138%0.384SS*.  trans-112.26-171.2-61.8-179169.900113.4Q157 M160 T164Q157-E162 PolarHBondContact O-N 3.04Å; M160-E162 HydrophobicContact CB-CG 4.42Å; E162-T164 PolarHBondContact O-N 2.93Å
163C91.6Very high90.8Very high23 Ų2370.6 Ų70.616%0.15536%0.362CS..  trans-72.5105.6-179.1-1670000111.6C155 Q157 Y158 H173C155-C163 VanDerWaalsContact SG-SG 3.65Å; Q157-C163 HydrophobicContact CB-CB 4.05Å; Q157-C163 PolarHBondContact O-N 2.82Å; Y158-C163 HydrophobicContact CD2-CB 4.27Å; C163-H173 VanDerWaalsContact SG-CE1 3.57Å; C163-H173 PolarHBondContact SG-NE2 3.3Å; C163-H173 VanDerWaalsContact SG-NE2 3.42Å
164T90.8Very high90.9Very high137 Ų13772.4 Ų72.484%0.8437%0.372SS*.THydrogen-bonded Turntrans-90.63.7178.355.10000113.9E162 G166E162-T164 PolarHBondContact O-N 2.93Å; T164-G166 VanDerWaalsContact C-N 3.31Å; T164-G166 PolarHBondContact O-N 2.98Å
165R88.1Confident90.8Very high119 Ų11972.4 Ų72.445%0.44937%0.369SS..THydrogen-bonded Turntrans-77.1-14.7-174.8-63.7-178.6-177.21790113.8G167 F168 C169R165-G167 PolarHBondContact O-N 3.08Å; R165-F168 WeakPolarHBondContact O-CB 3.44Å; R165-F168 PolarHBondContact O-N 3.49Å; R165-C169 HydrophobicContact CB-CB 3.87Å
166G86.8Confident90.5Very high29 Ų2976.6 Ų76.630%0.29940%0.396SS..G310 helixtrans50.7-131.6-178.900000112.3T164 F168 C169T164-G166 VanDerWaalsContact C-N 3.31Å; T164-G166 PolarHBondContact O-N 2.98Å; G166-F168 PolarHBondContact O-N 3.11Å; G166-C169 PolarHBondContact O-N 3.28Å
167G86.8Confident90.4Very high28 Ų2869.1 Ų69.129%0.28937%0.369SS..G310 helixtrans-67.3-9.2178.100000115.6G106 R165G106-G167 WeakPolarHBondContact CA-O 3.43Å; R165-G167 PolarHBondContact O-N 3.08Å
168F89.8Confident90.3Very high177 Ų17766.5 Ų66.578%0.77636%0.361SS*.G310 helixtrans-90-1.2176.7-55.9-75.5000113.3R165 G166 N170R165-F168 WeakPolarHBondContact O-CB 3.44Å; R165-F168 PolarHBondContact O-N 3.49Å; G166-F168 PolarHBondContact O-N 3.11Å; F168-N170 PolarHBondContact O-N 3.47Å
169C93Very high90.1Very high0 Ų073.6 Ų73.60%039%0.387CS..  trans-72.3127174-160.90000110.7R165 G166 H173R165-C169 HydrophobicContact CB-CB 3.87Å; G166-C169 PolarHBondContact O-N 3.28Å; C169-H173 WeakPolarHBondContact CB-NE2 3.27Å; C169-H173 PolarHBondContact SG-NE2 3.26Å
170N92.1Very high90Very high25 Ų2572.9 Ų72.913%0.13438%0.384CS..  trans-967.5177.8-51.1-55.4000113F20 F168F20-N170 HydrophobicContact CD1-CB 3.81Å; F20-N170 HydrophobicContact CE1-CB 3.68Å; F20-N170 HydrophobicContact CZ-CB 4.38Å; F168-N170 PolarHBondContact O-N 3.47Å
171F93.4Very high89.8Confident64 Ų6467 Ų6728%0.28135%0.354SS..SBendtrans-110.1152.4178.1-69.6-86.1000109.5F20 I24 N104 C155 H173F20-F171 HydrophobicContact CE1-CE2 4.38Å; F20-F171 HydrophobicContact CE1-CZ 4.37Å; I24-F171 HydrophobicContact CD1-CD1 3.92Å; I24-F171 HydrophobicContact CD1-CE1 4.29Å; N104-F171 PolarHBondContact ND2-O 2.93Å; C155-F171 HydrophobicContact CB-CB 3.63Å; F171-H173 PolarHBondContact O-CD2 3.38Å; F171-H173 PolarHBondContact O-N 2.89Å
172M94.3Very high89.8Confident1 Ų171.8 Ų71.81%0.00535%0.351CS..BIsolated β-bridgetrans-66.6126-176.9-59.3-179.3179.100110.9I24 L109 Y114 V147 F150 A153 C155 L174I24-M172 HydrophobicContact CG2-CE 3.77Å; I24-M172 HydrophobicContact CG2-CG 3.85Å; I24-M172 WeakPolarHBondContact O-CE 3.5Å; L109-M172 HydrophobicContact CD2-CG 4.41Å; Y114-M172 HydrophobicContact CD1-CE 4.09Å; Y114-M172 HydrophobicContact CD2-CE 3.83Å; Y114-M172 HydrophobicContact CD2-SD 4.07Å; Y114-M172 HydrophobicContact CE1-CE 3.66Å; Y114-M172 HydrophobicContact CE2-CE 3.4Å; Y114-M172 HydrophobicContact CE2-SD 3.97Å; Y114-M172 HydrophobicContact CG-CE 4.16Å; V147-M172 HydrophobicContact CG2-CE 4.12Å; F150-M172 HydrophobicContact CD1-SD 4.07Å; F150-M172 HydrophobicContact CE1-SD 4.49Å; A153-M172 HydrophobicContact CB-CE 3.87Å; A153-M172 HydrophobicContact CB-CG 4.21Å; A153-M172 HydrophobicContact CB-SD 3.75Å; A153-M172 PolarHBondContact O-N 3.1Å; C155-M172 PolarHBondContact N-O 3.24Å; M172-L174 HydrophobicContact CB-CD2 3.88Å; M172-L174 HydrophobicContact CB-CG 4.41Å; M172-L174 HydrophobicContact SD-CD2 4.47Å
173H93.8Very high89.5Confident9 Ų974.1 Ų74.14%0.04235%0.354CS..  trans-97.296.3169-72.2-167.8000106.9C102 D103 N104 C155 Y158 C163 C169 F171C102-H173 CarbonylContact C-O 3.55Å; C102-H173 WeakPolarHBondContact CA-O 3Å; D103-H173 PolarHBondContact N-O 2.74Å; N104-H173 PolarHBondContact OD1-N 3.25Å; C155-H173 WeakPolarHBondContact CB-CD2 3.32Å; Y158-H173 HydrophobicContact CD1-CB 3.72Å; Y158-H173 AromaticContact CD1-CG 3.94Å; Y158-H173 HydrophobicContact CD2-CB 3.96Å; Y158-H173 AromaticContact CD2-CD2 4Å; Y158-H173 AromaticContact CD2-CE1 3.61Å; Y158-H173 AromaticContact CD2-CG 3.5Å; Y158-H173 VanDerWaalsContact CD2-CG 3.5Å; Y158-H173 AromaticContact CD2-ND1 3.24Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.44Å; Y158-H173 HydrophobicContact CE1-CB 3.75Å; Y158-H173 HydrophobicContact CE2-CB 3.97Å; Y158-H173 AromaticContact CE2-CG 3.91Å; Y158-H173 AromaticContact CE2-ND1 3.59Å; Y158-H173 HydrophobicContact CG-CB 3.82Å; Y158-H173 AromaticContact CG-CD2 3.7Å; Y158-H173 AromaticContact CG-CG 3.5Å; Y158-H173 VanDerWaalsContact CG-CG 3.5Å; Y158-H173 AromaticContact CG-ND1 3.75Å; C163-H173 VanDerWaalsContact SG-CE1 3.57Å; C163-H173 PolarHBondContact SG-NE2 3.3Å; C163-H173 VanDerWaalsContact SG-NE2 3.42Å; C169-H173 WeakPolarHBondContact CB-NE2 3.27Å; C169-H173 PolarHBondContact SG-NE2 3.26Å; F171-H173 PolarHBondContact O-CD2 3.38Å; F171-H173 PolarHBondContact O-N 2.89Å
174L92.8Very high89.1Confident39 Ų3978.3 Ų78.320%0.20437%0.372CS..BIsolated β-bridgetrans-81.7127.1-175.1-61.4-170.1000111.1N100 V101 C154 M172 P176N100-L174 HydrophobicContact CB-CD1 4.06Å; N100-L174 HydrophobicContact CB-CD2 3.84Å; V101-L174 WeakPolarHBondContact O-CA 3.34Å; C154-L174 WeakPolarHBondContact SG-CD1 3.26Å; M172-L174 HydrophobicContact CB-CD2 3.88Å; M172-L174 HydrophobicContact CB-CG 4.41Å; M172-L174 HydrophobicContact SD-CD2 4.47Å; L174-P176 WeakPolarHBondContact O-CD 3.3Å
175K90.6Very high88.6Confident29 Ų2972.9 Ų72.913%0.12634%0.337CS..PPolyproline II helixtrans-77.5119.2172.9-170165.4176.1171.80109.9Y52 Y78 V101 D103Y52-K175 HydrophobicContact CE1-CD 4.23Å; Y52-K175 PolarHBondContact OH-NZ 3.1Å; Y78-K175 HydrophobicContact CD1-CD 4.06Å; Y78-K175 HydrophobicContact CD1-CG 4.04Å; Y78-K175 HydrophobicContact CD2-CD 3.74Å; Y78-K175 HydrophobicContact CD2-CG 4.36Å; Y78-K175 HydrophobicContact CE1-CB 4.14Å; Y78-K175 HydrophobicContact CE1-CD 4.1Å; Y78-K175 HydrophobicContact CE1-CG 3.68Å; Y78-K175 HydrophobicContact CE2-CB 4.1Å; Y78-K175 HydrophobicContact CE2-CD 3.81Å; Y78-K175 HydrophobicContact CE2-CG 4.06Å; Y78-K175 HydrophobicContact CG-CD 3.86Å; Y78-K175 HydrophobicContact CG-CG 4.35Å; Y78-K175 PolarHBondContact OH-O 2.91Å; V101-K175 PolarHBondContact O-N 3.41Å; D103-K175 HydrophobicContact CB-CB 4.07Å
176P88.3Confident88.2Confident94 Ų9469.9 Ų69.961%0.6133%0.327SS*.PPolyproline II helixtrans-70.8134.4-179.629-33.7000110.9Q75 Y78 L174Q75-P176 PolarHBondContact NE2-O 2.86Å; Y78-P176 WeakPolarHBondContact CE1-O 3.19Å; L174-P176 WeakPolarHBondContact O-CD 3.3Å
177I90.3Very high87.2Confident29 Ų2969.7 Ų69.715%0.14933%0.325CS..PPolyproline II helixtrans-75.2157.2168.457.2173000111Y78 F82 L181 R182 Y186Y78-I177 HydrophobicContact CE1-CB 4.46Å; Y78-I177 HydrophobicContact CE1-CG2 3.71Å; F82-I177 HydrophobicContact CB-CG2 4.17Å; F82-I177 HydrophobicContact CD1-CG2 3.83Å; F82-I177 HydrophobicContact CD2-CG2 3.4Å; F82-I177 HydrophobicContact CE1-CD1 4.11Å; F82-I177 HydrophobicContact CE1-CG2 4.02Å; F82-I177 HydrophobicContact CE2-CG2 3.6Å; F82-I177 HydrophobicContact CG-CG2 3.52Å; F82-I177 HydrophobicContact CZ-CD1 4.28Å; F82-I177 HydrophobicContact CZ-CG2 3.91Å; I177-L181 HydrophobicContact CB-CD2 4.37Å; I177-L181 HydrophobicContact CG2-CD2 4.41Å; I177-R182 HydrophobicContact CD1-CB 3.54Å; I177-R182 HydrophobicContact CD1-CG 3.94Å; I177-R182 HydrophobicContact CG1-CB 3.96Å; I177-R182 HydrophobicContact CG1-CG 4.49Å; I177-Y186 HydrophobicContact CD1-CE2 4.45Å
178S88.8Confident85.8Confident31 Ų3178.2 Ų78.222%0.21735%0.348CS..PPolyproline II helixtrans-59.2151.6173.869.40000112.1D79 E180 L181 R182D79-S178 PolarHBondContact OD1-N 2.92Å; D79-S178 VanDerWaalsContact OD1-N 3.13Å; D79-S178 WeakPolarHBondContact OD2-CB 3.44Å; D79-S178 PolarHBondContact OD2-OG 3.14Å; S178-E180 PolarHBondContact O-N 2.67Å; S178-L181 PolarHBondContact O-N 3.39Å; S178-L181 WeakPolarHBondContact OG-CB 3.47Å; S178-L181 PolarHBondContact OG-N 3.22Å; S178-R182 WeakPolarHBondContact O-CB 3.47Å; S178-R182 PolarHBondContact O-N 3.03Å
179R85.6Confident84.1Confident218 Ų21873.9 Ų73.982%0.82333%0.326SS*.Hα-helixtrans-64.1-26.2-179.5-68.4-176.2174.9-165.2-0.3112.5R183R179-R183 PolarHBondContact O-N 3.28Å
180E85.8Confident82Confident145 Ų14583.4 Ų83.468%0.67836%0.362SS*.Hα-helixtrans-74-55.1178.8-62.5-174.4174.600109.5S178 R182 R183 E184S178-E180 PolarHBondContact O-N 2.67Å; E180-R182 VanDerWaalsContact C-N 3.31Å; E180-R182 PolarHBondContact O-N 3.08Å; E180-R183 WeakPolarHBondContact O-CA 3.4Å; E180-R183 WeakPolarHBondContact O-CB 3.48Å; E180-R183 PolarHBondContact O-N 3.23Å; E180-E184 PolarHBondContact O-N 3.48Å
181L85.7Confident80Confident8 Ų891 Ų914%0.04239%0.394CS..Hα-helixtrans-56.9-43.8176.8-17663.4000112D79 F82 E83 I177 S178 R183 E184 L185D79-L181 HydrophobicContact CB-CD2 3.79Å; D79-L181 WeakPolarHBondContact O-CD2 3.42Å; F82-L181 HydrophobicContact CB-CD2 4.15Å; F82-L181 HydrophobicContact CD1-CD2 4.03Å; F82-L181 HydrophobicContact CG-CD2 4.41Å; E83-L181 HydrophobicContact CB-CD1 4.07Å; E83-L181 HydrophobicContact CG-CD1 4.35Å; I177-L181 HydrophobicContact CB-CD2 4.37Å; I177-L181 HydrophobicContact CG2-CD2 4.41Å; S178-L181 PolarHBondContact O-N 3.39Å; S178-L181 WeakPolarHBondContact OG-CB 3.47Å; S178-L181 PolarHBondContact OG-N 3.22Å; L181-R183 PolarHBondContact O-N 3.07Å; L181-E184 PolarHBondContact O-N 3.06Å; L181-L185 HydrophobicContact CD1-CD1 3.78Å; L181-L185 HydrophobicContact CD1-CD2 4.29Å; L181-L185 HydrophobicContact CD1-CG 3.82Å; L181-L185 HydrophobicContact CD2-CD1 4.29Å; L181-L185 HydrophobicContact CG-CD1 3.77Å; L181-L185 HydrophobicContact CG-CG 4.16Å; L181-L185 WeakPolarHBondContact O-CG 3.24Å; L181-L185 PolarHBondContact O-N 3.26Å
182R85.9Confident77.8Confident170 Ų17091 Ų9164%0.64241%0.413SS*.Hα-helixtrans-56.5-37.8175.6-171.2172-178.9173.44.1112.6I177 S178 E180 Y186I177-R182 HydrophobicContact CD1-CB 3.54Å; I177-R182 HydrophobicContact CD1-CG 3.94Å; I177-R182 HydrophobicContact CG1-CB 3.96Å; I177-R182 HydrophobicContact CG1-CG 4.49Å; S178-R182 WeakPolarHBondContact O-CB 3.47Å; S178-R182 PolarHBondContact O-N 3.03Å; E180-R182 VanDerWaalsContact C-N 3.31Å; E180-R182 PolarHBondContact O-N 3.08Å; R182-Y186 HydrophobicContact CG-CD2 4.28Å; R182-Y186 WeakPolarHBondContact O-CB 3.37Å; R182-Y186 PolarHBondContact O-N 3.47Å
183R84.5Confident75.6Confident181 Ų181101.3 Ų101.368%0.68345%0.452SS*.Hα-helixtrans-75.6-32.5179.5-172-175.3-62.4156.63.1111.2R179 E180 L181 G187R179-R183 PolarHBondContact O-N 3.28Å; E180-R183 WeakPolarHBondContact O-CA 3.4Å; E180-R183 WeakPolarHBondContact O-CB 3.48Å; E180-R183 PolarHBondContact O-N 3.23Å; L181-R183 PolarHBondContact O-N 3.07Å; R183-G187 WeakPolarHBondContact O-CA 3.05Å; R183-G187 PolarHBondContact O-N 3.21Å
184E83.6Confident73.4Confident112 Ų112108.2 Ų108.252%0.52348%0.483SS..Hα-helixtrans-73.7-49.6179.9-68.6-173.7171.600111.8E180 L181 R188E180-E184 PolarHBondContact O-N 3.48Å; L181-E184 PolarHBondContact O-N 3.06Å; E184-R188 WeakPolarHBondContact O-CG 3.46Å
185L81.7Confident71.2Confident22 Ų22117.5 Ų117.512%0.11552%0.516CS..Hα-helixtrans-66.9-56.8-180-60.6179.3000111.2F82 E83 F86 L181F82-L185 HydrophobicContact CD1-CD1 3.67Å; F82-L185 HydrophobicContact CE1-CD1 3.61Å; E83-L185 HydrophobicContact CG-CD2 4.48Å; F86-L185 HydrophobicContact CB-CD1 4.29Å; F86-L185 HydrophobicContact CD1-CB 4.45Å; F86-L185 HydrophobicContact CD1-CD1 4.23Å; F86-L185 HydrophobicContact CD1-CD2 3.81Å; F86-L185 HydrophobicContact CD1-CG 4.39Å; F86-L185 HydrophobicContact CD2-CD1 4.5Å; F86-L185 HydrophobicContact CE1-CB 4.24Å; F86-L185 HydrophobicContact CE1-CD2 4.24Å; F86-L185 HydrophobicContact CG-CD1 4.08Å; F86-L185 HydrophobicContact CG-CD2 4.44Å; L181-L185 HydrophobicContact CD1-CD1 3.78Å; L181-L185 HydrophobicContact CD1-CD2 4.29Å; L181-L185 HydrophobicContact CD1-CG 3.82Å; L181-L185 HydrophobicContact CD2-CD1 4.29Å; L181-L185 HydrophobicContact CG-CD1 3.77Å; L181-L185 HydrophobicContact CG-CG 4.16Å; L181-L185 WeakPolarHBondContact O-CG 3.24Å; L181-L185 PolarHBondContact O-N 3.26Å
186Y77.8Confident69.2Low57 Ų57120.9 Ų120.922%0.22454%0.543CS..Hα-helixtrans-90.3-19.1-174.3-62.6-83.2000114.1F86 M99 I177 R182 R189F86-Y186 HydrophobicContact CE2-CE1 4.14Å; F86-Y186 HydrophobicContact CE2-CE2 4.48Å; F86-Y186 AromaticContact CE2-CZ 3.84Å; F86-Y186 HydrophobicContact CZ-CE1 4.4Å; M99-Y186 PolarHBondContact N-OH 3.48Å; M99-Y186 VanDerWaalsContact N-OH 3.16Å; I177-Y186 HydrophobicContact CD1-CE2 4.45Å; R182-Y186 HydrophobicContact CG-CD2 4.28Å; R182-Y186 WeakPolarHBondContact O-CB 3.37Å; R182-Y186 PolarHBondContact O-N 3.47Å; Y186-R189 PolarHBondContact O-N 3.42Å
187G66.2Low67.2Low25 Ų25127 Ų12726%0.25855%0.554SS.*Hα-helixtrans-79.1-21.5-179.100000114R183 R189 R190R183-G187 WeakPolarHBondContact O-CA 3.05Å; R183-G187 PolarHBondContact O-N 3.21Å; G187-R189 PolarHBondContact O-N 2.87Å; G187-R190 PolarHBondContact O-N 3.3Å; G187-R190 VanDerWaalsContact O-N 3.13Å
188R57Low65.1Low206 Ų206130.7 Ų130.778%0.77758%0.582SS**Hα-helixtrans-55.6-36.1169.3-78.7177.7-173.4-159.86.1111.5E184 R190E184-R188 WeakPolarHBondContact O-CG 3.46Å; R188-R190 VanDerWaalsContact C-N 3.35Å; R188-R190 PolarHBondContact O-N 3.42Å
189R54.4Low63Low86 Ų86139.5 Ų139.533%0.32561%0.611SS.*Hα-helixtrans-65.3-28.1176.9-76.9-169.7-173.9175.722.4115E90 E95 V96 Y186 G187E90-R189 IonicContact OE1-CZ 2.74Å; E90-R189 IonicContact OE1-NH2 3.42Å; E90-R189 PolarHBondContact OE1-NH2 3.18Å; E95-R189 VanDerWaalsContact CG-CZ 3.45Å; E95-R189 IonicContact OE1-CZ 2.61Å; E95-R189 IonicContact OE1-NE 2.91Å; E95-R189 PolarHBondContact OE1-NE 2.76Å; E95-R189 IonicContact OE1-NH1 3.97Å; E95-R189 PolarHBondContact OE1-NH1 2.86Å; E95-R189 IonicContact OE1-NH2 3.82Å; V96-R189 PolarHBondContact O-NH1 2.87Å; V96-R189 PolarHBondContact O-NH2 3.48Å; Y186-R189 PolarHBondContact O-N 3.42Å; G187-R189 PolarHBondContact O-N 2.87Å
190R49.8Very low61Low200 Ų200134 Ų13476%0.75561%0.605SS**Hα-helixtrans-80.1-24.5-176.5-80.6-172.7169.2-174.6-1.8114.1G187 R188 G192G187-R190 PolarHBondContact O-N 3.3Å; G187-R190 VanDerWaalsContact O-N 3.13Å; R188-R190 VanDerWaalsContact C-N 3.35Å; R188-R190 PolarHBondContact O-N 3.42Å; R190-G192 VanDerWaalsContact C-N 3.35Å; R190-G192 PolarHBondContact O-N 2.83Å
191K49.7Very low59Low184 Ų184136.2 Ų136.280%0.861%0.608SS**Hα-helixtrans-73.6-22.3179.8-94.4-179176.6173.40113.8
192G47.3Very low57Low65 Ų65142.1 Ų142.167%0.6764%0.639SS**Hα-helixtrans-78.3-26.7177.300000114.9R190R190-G192 VanDerWaalsContact C-N 3.35Å; R190-G192 PolarHBondContact O-N 2.83Å
193R48.8Very low55Low218 Ų218144.6 Ų144.682%0.82365%0.649SS**Hα-helixtrans-90.8-13.5-172.6-104.2175.2157171.2-6.4115.6
194H46.4Very low53.1Low153 Ų153143.2 Ų143.271%0.70866%0.655SS**SBendtrans-98.71-177.4-91.8-75.5000115.3S196H194-S196 VanDerWaalsContact C-N 3.32Å; H194-S196 PolarHBondContact O-N 3.19Å
195R47.6Very low51.2Low235 Ų235149.3 Ų149.389%0.88767%0.673SS**THydrogen-bonded Turntrans-81.2-2178.7-95.3-176.6174.2172.4-1.3115.1
196S47.9Very low49.1Very low99 Ų99152.1 Ų152.169%0.69271%0.707SS**THydrogen-bonded Turntrans-105.18.9-178.852.80000115.8H194 S198H194-S196 VanDerWaalsContact C-N 3.32Å; H194-S196 PolarHBondContact O-N 3.19Å; S196-S198 VanDerWaalsContact C-N 3.34Å; S196-S198 PolarHBondContact O-N 3.34Å
197R45.8Very low47.3Very low222 Ų222161.8 Ų161.884%0.83874%0.743SS**  trans-95.371.3160.5-90.2179.8172.4149.3-2.2109.4R199R197-R199 PolarHBondContact O-N 3.31Å; R197-R199 VanDerWaalsContact O-N 3.07Å
198S47.2Very low45.8Very low107 Ų107164.6 Ų164.675%0.74877%0.772SS**  trans-50.1112.7163.1340000108.9S196 S200S196-S198 VanDerWaalsContact C-N 3.34Å; S196-S198 PolarHBondContact O-N 3.34Å; S198-S200 VanDerWaalsContact C-N 3.31Å; S198-S200 PolarHBondContact O-N 3.17Å
199R44.9Very low44.7Very low216 Ų216158.6 Ų158.682%0.81577%0.774SS**  trans-61.993.4163.5-70.4172.5170.4166.3-3.6107.4R197 R201R197-R199 PolarHBondContact O-N 3.31Å; R197-R199 VanDerWaalsContact O-N 3.07Å; R199-R201 PolarHBondContact O-N 3.25Å
200S43.8Very low43.6Very low102 Ų102158.5 Ų158.571%0.71380%0.801SS**  trans-68.186.2157.1-109.90000107.4S198 D202S198-S200 VanDerWaalsContact C-N 3.31Å; S198-S200 PolarHBondContact O-N 3.17Å; S200-D202 VanDerWaalsContact C-N 3.29Å; S200-D202 WeakPolarHBondContact CB-OD2 3.4Å; S200-D202 PolarHBondContact O-N 3.38Å; S200-D202 PolarHBondContact OG-OD2 3.42Å
201R43.2Very low42.7Very low193 Ų193153 Ų15373%0.72881%0.806SS**  trans-84.185.3153.7-79.8-178.9171.9174.5-3.4105.5R199 R203R199-R201 PolarHBondContact O-N 3.25Å; R201-R203 PolarHBondContact O-N 2.98Å
202D44Very low41.9Very low131 Ų131148 Ų14870%0.70181%0.807SS**  trans-69.590164.8-78.8-74.3000108.1S200 D204S200-D202 VanDerWaalsContact C-N 3.29Å; S200-D202 WeakPolarHBondContact CB-OD2 3.4Å; S200-D202 PolarHBondContact O-N 3.38Å; S200-D202 PolarHBondContact OG-OD2 3.42Å; D202-D204 PolarHBondContact O-N 3.05Å
203R43.8Very low41.3Very low223 Ų223148.2 Ų148.284%0.84281%0.809SS**  trans-84.189.9158.6-82.1-177171.4176.8-3.6106.4R201R201-R203 PolarHBondContact O-N 2.98Å
204D43.5Very low40.9Very low151 Ų151149.7 Ų149.781%0.80781%0.814SS**  trans-80.6125.7169.5-135.2-46.2000110.2D202D202-D204 PolarHBondContact O-N 3.05Å
205R44.7Very low40.5Very low241 Ų241149.8 Ų149.891%0.90982%0.82SS**  trans-96.3116.2178.6-83.5176.2167161.4-4.4107.2
206G37Very low40.1Very low81 Ų81146.2 Ų146.284%0.83581%0.813SS**  trans-132.1118.3172.600000112.7
207R39.8Very low39.6Very low259 Ų259149.6 Ų149.698%0.97782%0.818SS**  trans-76.1151.6-177.6-107.7169.1162.9-173.1-4.3113.6
208G34.9Very low39.3Very low84 Ų84149 Ų14987%0.86682%0.816SS**  trans94.7135.4154.600000114.1
209G33.4Very low38.8Very low80 Ų80153.9 Ų153.983%0.82582%0.818SS**  cis163.91434.900000106.9
210G32.3Very low38.5Very low85 Ų85154 Ų15488%0.87682%0.818SS**  trans97.3113.4157.200000119
211G31.5Very low38.2Very low83 Ų83154.3 Ų154.386%0.85682%0.82SS**  100.7114.2120.300000119.9
212G32.8Very low38.1Very low80 Ų80156.4 Ų156.483%0.82583%0.828SS**  trans80111.2149.200000115.4
213G34.7Very low37.9Very low69 Ų69157 Ų15771%0.71183%0.831SS**  84.7101.251.100000109.9
214R39.2Very low37.8Very low250 Ų250156.6 Ų156.694%0.94383%0.83SS**  trans169.7107.8141.8-91.2157.2-166-156.55.4112.6
215N39.1Very low37.5Very low155 Ų155157 Ų15783%0.82983%0.827SS**  trans3.9123.9131.1-105.1-18.8000117.5
216H37.6Very low37.3Very low160 Ų160156.1 Ų156.174%0.74182%0.824SS**  -162.6104.6124-133.951.9000112.4
217E39Very low37.5Very low170 Ų170157.8 Ų157.879%0.79482%0.822SS**  trans-66.8142.6144.6-66.2-175.2129.800109.3
218R39.5Very low37.4Very low208 Ų208148.6 Ų148.679%0.78581%0.809SS**  trans164108.1140.3-89156.9-171.3-150.14.2108.2
219R36.9Very low37.7Very low210 Ų210155.6 Ų155.679%0.79281%0.809SS**  64124.286.8-83.7-168.7178.9-1700.6114.8
220R37Very low38Very low218 Ų218164.4 Ų164.482%0.82383%0.825SS**  trans98.5117140.6-74.5171.7176.6-179-2.2119.2
221S38.3Very low38.3Very low109 Ų109168.4 Ų168.476%0.76282%0.823SS**  trans-5.3138139.3-55.40000117.3
222R41Very low38.7Very low237 Ų237172.9 Ų172.989%0.89482%0.821SS**  -171.1143.6108.5-106.7171.7179.3173.3-1.1112.9
223D39.7Very low39Very low143 Ų143178.1 Ų178.177%0.76582%0.821SS**  trans-37.6147.4163.6-52.9-87.6000115.9
224R42Very low39.3Very low216 Ų216184.5 Ų184.582%0.81583%0.827SS**  161.9118.1108.7-93-172.7168.9149.7-1.1110
225E37.9Very low39.3Very low158 Ų158180.4 Ų180.474%0.73882%0.82SS**  63.3117.5112.7-62.5-171.9118.300115
226R39.1Very low39.3Very low223 Ų223182.1 Ų182.184%0.84282%0.819SS**  153.2141.287.2-160.8163.2-179.6-135.21.1111.3
227S41.5Very low39.4Very low116 Ų116183.6 Ų183.681%0.81183%0.825SS**  trans65.3132.915656.60000118.7
228G37.1Very low39.4Very low67 Ų67184.7 Ų184.769%0.69183%0.827SS**  cis145144.74.200000110.6
229R42.3Very low39.4Very low230 Ų230182.8 Ų182.887%0.86883%0.831SS**  trans64136.1160.5-58.6-177.9178.2-165.4-1.7116.1
230F40Very low39.6Very low266 Ų266180.3 Ų180.3100%1.16783%0.834SS**  cis-133.9027.9-81.7-100.5000111.9

Retrieved 230 of 230 residues in 536.8 ms (Link to these results)

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