RBM4B_HUMAN Loading...

RNA-binding protein 4B

Required for the translational activation of PER1 mRNA in response to circadian clock. Binds directly to the 3'-UTR of the PER1 mRNA (By similarity).

AlphaFold DB , UniProt , Accession Q9BQ04, Species HUMAN (Homo sapiens, Human), Gene RBM4B, Length 359 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
1M77.7Confident90.7Very high141 Ų14155.6 Ų55.670%0.69526%0.261SS*.  0130.60-172.8-179.2-171.300108.8L29 H41 I42 E43M1-L29 HydrophobicContact CE-CD1 4.38Å; M1-L29 HydrophobicContact CG-CD1 4.15Å; M1-L29 HydrophobicContact SD-CD1 4.4Å; M1-H41 HydrophobicContact CE-CB 3.61Å; M1-I42 CarbonylContact C-O 3.49Å; M1-I42 WeakPolarHBondContact CA-O 3.2Å; M1-E43 WeakPolarHBondContact CA-O 3.48Å; M1-E43 PolarHBondContact N-O 3.09Å
2V89.1Confident90.6Very high38 Ų3862.2 Ų62.223%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-130.8136.4173.3176.10000108.7L4 H41 I42 K45 A48V2-L4 HydrophobicContact CG1-CD2 4.21Å; V2-H41 WeakPolarHBondContact O-CA 3.26Å; V2-I42 PolarHBondContact N-O 2.88Å; V2-I42 PolarHBondContact O-N 2.83Å; V2-K45 HydrophobicContact CG2-CB 3.9Å; V2-K45 HydrophobicContact CG2-CG 4.1Å; V2-A48 HydrophobicContact CB-CB 3.75Å; V2-A48 HydrophobicContact CG1-CB 3.81Å; V2-A48 HydrophobicContact CG2-CB 4.29Å
3K91.9Very high90.5Very high42 Ų4258.2 Ų58.218%0.18328%0.276CS..EExtended strand (participates in β ladder)trans-89.9129.6171-168.8176-16967.40109.2F39 H41 S70K3-F39 HydrophobicContact CD-CD1 4.25Å; K3-F39 VanDerWaalsContact CE-CD1 3.43Å; K3-F39 VanDerWaalsContact CE-CG 3.48Å; K3-F39 HydrophobicContact CG-CB 4.46Å; K3-F39 HydrophobicContact CG-CD1 4.36Å; K3-H41 VanDerWaalsContact CB-CD2 3.48Å; K3-H41 WeakPolarHBondContact CB-CD2 3.29Å; K3-H41 VanDerWaalsContact CD-NE2 3.35Å; K3-H41 WeakPolarHBondContact CD-NE2 3.25Å; K3-H41 VanDerWaalsContact CG-CD2 3.47Å; K3-H41 WeakPolarHBondContact CG-CD2 3.46Å; K3-H41 WeakPolarHBondContact CG-NE2 3.39Å; K3-H41 PolarHBondContact NZ-CE1 3.32Å; K3-H41 PolarHBondContact NZ-NE2 3.05Å; K3-S70 WeakPolarHBondContact O-CA 3.24Å; K3-S70 WeakPolarHBondContact O-CB 3.49Å; K3-S70 PolarHBondContact O-N 2.84Å
4L93.6Very high90.7Very high0 Ų058.5 Ų58.50%028%0.283CS..EExtended strand (participates in β ladder)trans-103.4146.4169.6-61.3-174.2000109.7V2 F22 F39 V40 I42 A48 A51 I52 V67 E68V2-L4 HydrophobicContact CG1-CD2 4.21Å; L4-F22 HydrophobicContact CD1-CD1 3.85Å; L4-F22 HydrophobicContact CD1-CE1 3.52Å; L4-F39 VanDerWaalsContact O-CA 3.27Å; L4-F39 WeakPolarHBondContact O-CA 3.47Å; L4-V40 PolarHBondContact N-O 3.13Å; L4-V40 PolarHBondContact O-N 2.97Å; L4-V40 VanDerWaalsContact O-N 3.15Å; L4-I42 HydrophobicContact CD1-CD1 3.74Å; L4-I42 HydrophobicContact CD1-CG1 4.4Å; L4-A48 HydrophobicContact CD1-CB 4.37Å; L4-A48 HydrophobicContact CD2-CB 4.11Å; L4-A48 HydrophobicContact CG-CB 4.39Å; L4-A51 HydrophobicContact CD1-CB 4.09Å; L4-I52 HydrophobicContact CD1-CG1 4.36Å; L4-I52 HydrophobicContact CD2-CD1 3.48Å; L4-I52 VanDerWaalsContact CD2-CD1 3.48Å; L4-I52 HydrophobicContact CD2-CG1 3.62Å; L4-V67 HydrophobicContact CD1-CG1 4.42Å; L4-E68 WeakPolarHBondContact CA-O 3.35Å
5F93.7Very high90.8Very high60 Ų6060.9 Ų60.926%0.26329%0.294SS..EExtended strand (participates in β ladder)trans-107.2133.3170.3170.4-107.6000108.7Y37 F39 E68F5-Y37 AromaticContact CE2-CD2 3.81Å; F5-Y37 HydrophobicContact CE2-CD2 3.81Å; F5-Y37 AromaticContact CE2-CG 3.87Å; F5-Y37 HydrophobicContact CE2-CG 3.87Å; F5-Y37 HydrophobicContact CZ-CG 4.43Å; F5-F39 HydrophobicContact CB-CD1 4.27Å; F5-F39 HydrophobicContact CB-CE1 4.24Å; F5-F39 HydrophobicContact CD2-CD1 4.03Å; F5-F39 AromaticContact CD2-CE1 3.56Å; F5-F39 HydrophobicContact CD2-CE1 3.56Å; F5-F39 HydrophobicContact CD2-CZ 4.13Å; F5-F39 HydrophobicContact CE2-CE1 4.43Å; F5-F39 HydrophobicContact CG-CE1 4.35Å; F5-E68 PolarHBondContact N-O 3.12Å; F5-E68 PolarHBondContact O-N 3.49Å
6I93.4Very high90.9Very high0 Ų066.6 Ų66.60%032%0.32CS..EExtended strand (participates in β ladder)trans-120.396.8-178.6-50.1164.4000107.5L9 I18 F22 Y37 G38 V40 I65 N66 V67I6-L9 HydrophobicContact CG2-CD1 4.31Å; I6-L9 HydrophobicContact CG2-CD2 3.56Å; I6-L9 HydrophobicContact CG2-CG 3.93Å; I6-I18 HydrophobicContact CD1-CG2 3.5Å; I6-I18 VanDerWaalsContact CD1-CG2 3.5Å; I6-F22 HydrophobicContact CD1-CD2 4.04Å; I6-F22 HydrophobicContact CD1-CE2 3.3Å; I6-F22 HydrophobicContact CD1-CZ 3.68Å; I6-F22 HydrophobicContact CG1-CE2 3.98Å; I6-F22 HydrophobicContact CG1-CZ 3.85Å; I6-Y37 CarbonylContact O-C 3.4Å; I6-Y37 WeakPolarHBondContact O-CA 2.99Å; I6-Y37 VanDerWaalsContact O-CB 3.28Å; I6-Y37 WeakPolarHBondContact O-CB 3.11Å; I6-G38 PolarHBondContact N-O 3.01Å; I6-G38 PolarHBondContact O-N 3.26Å; I6-V40 HydrophobicContact CD1-CB 4.2Å; I6-V40 HydrophobicContact CD1-CG2 3.52Å; I6-I65 HydrophobicContact CG2-CB 4.32Å; I6-I65 HydrophobicContact CG2-CD1 4.25Å; I6-N66 CarbonylContact C-O 3.41Å; I6-N66 VanDerWaalsContact CA-O 3.26Å; I6-N66 WeakPolarHBondContact CA-O 3.47Å; I6-V67 HydrophobicContact CG2-CG2 4.41Å
7G93.1Very high91Very high7 Ų766.6 Ų66.67%0.07232%0.32CS..EExtended strand (participates in β ladder)trans-84.4165.2175.400000112.6L9 N66G7-L9 VanDerWaalsContact C-N 3.31Å; G7-L9 PolarHBondContact O-N 3.07Å; G7-N66 PolarHBondContact N-O 3.17Å; G7-N66 PolarHBondContact O-N 2.88Å
8N93.3Very high91Very high99 Ų9963 Ų6353%0.52930%0.302SS..SBendtrans58.536.7174.1-155.950.3000114.3N36 V63 N64N8-N36 PolarHBondContact N-O 2.99Å; N8-V63 VanDerWaalsContact ND2-CG1 3.29Å; N8-V63 WeakPolarHBondContact ND2-CG1 3.33Å; N8-V63 WeakPolarHBondContact O-CG1 3.47Å; N8-N64 PolarHBondContact ND2-O 3.44Å
9L92Very high91.2Very high4 Ų463.9 Ų63.92%0.02130%0.302CS..  trans-70.1132.9171-69.6-178.3000110.3I6 G7 A13 I18 I33 N36 I65I6-L9 HydrophobicContact CG2-CD1 4.31Å; I6-L9 HydrophobicContact CG2-CD2 3.56Å; I6-L9 HydrophobicContact CG2-CG 3.93Å; G7-L9 VanDerWaalsContact C-N 3.31Å; G7-L9 PolarHBondContact O-N 3.07Å; L9-A13 HydrophobicContact CB-CB 4.36Å; L9-A13 HydrophobicContact CD2-CB 4.39Å; L9-I18 HydrophobicContact CD1-CG1 4.47Å; L9-I18 HydrophobicContact CD2-CD1 3.62Å; L9-I18 HydrophobicContact CD2-CG1 4.24Å; L9-I33 HydrophobicContact CD1-CD1 4.09Å; L9-I33 HydrophobicContact CD1-CG1 4.13Å; L9-I33 HydrophobicContact CD1-CG2 4.13Å; L9-N36 PolarHBondContact N-O 3.17Å; L9-I65 HydrophobicContact CD2-CB 4.36Å; L9-I65 HydrophobicContact CD2-CG2 3.79Å
10P90.5Very high91.3Very high16 Ų1664 Ų6410%0.10431%0.31CS..  trans-67.9156168.829.5-32.9000110.4E12 A13 L60 H61 V63P10-E12 PolarHBondContact O-N 2.89Å; P10-A13 HydrophobicContact CG-CB 4.11Å; P10-A13 VanDerWaalsContact O-CB 3.25Å; P10-A13 WeakPolarHBondContact O-CB 3.38Å; P10-A13 PolarHBondContact O-N 3.05Å; P10-L60 HydrophobicContact CG-CD2 3.92Å; P10-H61 HydrophobicContact CB-CB 4.35Å; P10-H61 HydrophobicContact CG-CB 3.91Å; P10-V63 HydrophobicContact CB-CB 4.29Å; P10-V63 HydrophobicContact CB-CG2 4.05Å; P10-V63 HydrophobicContact CG-CB 4.36Å
11R89Confident91.3Very high205 Ų20561.9 Ų61.977%0.77430%0.3SS*.THydrogen-bonded Turntrans-65.5-18.4-178.6-66.5177.7176.2-83.73.6114
12E90.4Very high92Very high134 Ų13455.1 Ų55.163%0.62627%0.267SS*.THydrogen-bonded Turntrans-82.4-13.9176.3-70.1132.4-137.700112.9P10 T14 H61P10-E12 PolarHBondContact O-N 2.89Å; E12-T14 PolarHBondContact O-N 3.15Å; E12-H61 HydrophobicContact CB-CB 4.42Å
13A89.5Confident92.2Very high11 Ų1157.1 Ų57.19%0.09127%0.274CS..  trans-65.9117.8-179.200000111.4L9 P10 L60L9-A13 HydrophobicContact CB-CB 4.36Å; L9-A13 HydrophobicContact CD2-CB 4.39Å; P10-A13 HydrophobicContact CG-CB 4.11Å; P10-A13 VanDerWaalsContact O-CB 3.25Å; P10-A13 WeakPolarHBondContact O-CB 3.38Å; P10-A13 PolarHBondContact O-N 3.05Å; A13-L60 HydrophobicContact CB-CD2 3.4Å; A13-L60 VanDerWaalsContact CB-CD2 3.4Å
14T92.2Very high92.2Very high62 Ų6261.8 Ų61.838%0.3830%0.296SS..  trans-87.5154174.4650000111.7E12 Q16 E17 I18 I33E12-T14 PolarHBondContact O-N 3.15Å; T14-Q16 PolarHBondContact O-N 3.24Å; T14-E17 PolarHBondContact N-OE2 3.46Å; T14-E17 PolarHBondContact O-N 3.39Å; T14-E17 WeakPolarHBondContact OG1-CB 3.06Å; T14-E17 WeakPolarHBondContact OG1-CG 3.2Å; T14-E17 PolarHBondContact OG1-N 2.82Å; T14-E17 VanDerWaalsContact OG1-N 3.14Å; T14-E17 PolarHBondContact OG1-OE2 3.35Å; T14-I18 WeakPolarHBondContact O-CG1 3.46Å; T14-I18 PolarHBondContact O-N 2.91Å; T14-I33 VanDerWaalsContact C-CD1 3.48Å
15E92.6Very high92.2Very high95 Ų9565.4 Ų65.444%0.44431%0.31SS..Hα-helixtrans-55.7-37.1173.1-169.2-154.4125.700111.1I18 R19 C31 I33E15-I18 PolarHBondContact O-N 3.24Å; E15-R19 WeakPolarHBondContact O-CB 3.39Å; E15-R19 PolarHBondContact O-N 3.46Å; E15-C31 HydrophobicContact CG-CB 3.87Å; E15-C31 WeakPolarHBondContact CG-O 3.42Å; E15-I33 HydrophobicContact CB-CD1 4.41Å
16Q92.2Very high92.1Very high152 Ų15263.3 Ų63.371%0.7131%0.306SS*.Hα-helixtrans-68-45.6-178.3-65.1167.70.600112.1T14 R19 S20T14-Q16 PolarHBondContact O-N 3.24Å; Q16-R19 PolarHBondContact O-N 3.28Å; Q16-S20 PolarHBondContact O-N 3.18Å; Q16-S20 PolarHBondContact O-OG 3.23Å
17E92.2Very high92.1Very high67 Ų6769 Ų6931%0.31333%0.331SS..Hα-helixtrans-59.5-47.2174.1-74.8167146.400111.8T14 S20 L21 H61T14-E17 PolarHBondContact N-OE2 3.46Å; T14-E17 PolarHBondContact O-N 3.39Å; T14-E17 WeakPolarHBondContact OG1-CB 3.06Å; T14-E17 WeakPolarHBondContact OG1-CG 3.2Å; T14-E17 PolarHBondContact OG1-N 2.82Å; T14-E17 VanDerWaalsContact OG1-N 3.14Å; T14-E17 PolarHBondContact OG1-OE2 3.35Å; E17-S20 PolarHBondContact O-N 2.85Å; E17-L21 WeakPolarHBondContact O-CG 3.49Å; E17-L21 PolarHBondContact O-N 2.9Å; E17-H61 VanDerWaalsContact CD-NE2 3.31Å; E17-H61 IonicContact OE1-CE1 3.07Å; E17-H61 PolarHBondContact OE1-CE1 3.46Å; E17-H61 IonicContact OE1-NE2 2.99Å; E17-H61 PolarHBondContact OE1-NE2 3.21Å; E17-H61 IonicContact OE2-CD2 4Å; E17-H61 IonicContact OE2-CE1 3.9Å; E17-H61 IonicContact OE2-NE2 3.01Å; E17-H61 PolarHBondContact OE2-NE2 3.48Å
18I92.6Very high92.2Very high1 Ų168.9 Ų68.91%0.00533%0.329CS..Hα-helixtrans-63.1-49.4178.2-64.4-54.3000110.2I6 L9 T14 E15 S20 L21 F22 I33 V40 L60I6-I18 HydrophobicContact CD1-CG2 3.5Å; I6-I18 VanDerWaalsContact CD1-CG2 3.5Å; L9-I18 HydrophobicContact CD1-CG1 4.47Å; L9-I18 HydrophobicContact CD2-CD1 3.62Å; L9-I18 HydrophobicContact CD2-CG1 4.24Å; T14-I18 WeakPolarHBondContact O-CG1 3.46Å; T14-I18 PolarHBondContact O-N 2.91Å; E15-I18 PolarHBondContact O-N 3.24Å; I18-S20 PolarHBondContact O-N 3.04Å; I18-L21 WeakPolarHBondContact O-CB 3.44Å; I18-L21 PolarHBondContact O-N 3.49Å; I18-L21 VanDerWaalsContact O-N 3.09Å; I18-F22 HydrophobicContact CG2-CD2 3.91Å; I18-F22 HydrophobicContact CG2-CE2 4.01Å; I18-F22 WeakPolarHBondContact O-CD2 3.48Å; I18-F22 PolarHBondContact O-N 3.33Å; I18-F22 VanDerWaalsContact O-N 3.09Å; I18-I33 HydrophobicContact CB-CD1 4.34Å; I18-I33 HydrophobicContact CG1-CD1 3.8Å; I18-V40 HydrophobicContact CG2-CG2 3.95Å; I18-L60 HydrophobicContact CD1-CD2 4.01Å
19R94Very high92.1Very high80 Ų8067.6 Ų67.630%0.30232%0.322SS..Hα-helixtrans-52.2-50.9176.2178.5177.2179.4112.526.6111.9E15 Q16 L21 F22 E23 V28 C31E15-R19 WeakPolarHBondContact O-CB 3.39Å; E15-R19 PolarHBondContact O-N 3.46Å; Q16-R19 PolarHBondContact O-N 3.28Å; R19-L21 VanDerWaalsContact C-N 3.31Å; R19-L21 PolarHBondContact O-N 3.24Å; R19-F22 PolarHBondContact O-N 3.14Å; R19-F22 VanDerWaalsContact O-N 3.15Å; R19-E23 HydrophobicContact CG-CG 4.2Å; R19-E23 WeakPolarHBondContact CG-OE1 3.16Å; R19-E23 IonicContact CZ-OE1 2.65Å; R19-E23 VanDerWaalsContact CZ-OE1 3.28Å; R19-E23 IonicContact NE-OE1 3.48Å; R19-E23 PolarHBondContact NE-OE1 3.29Å; R19-E23 IonicContact NH2-OE1 2.93Å; R19-E23 PolarHBondContact NH2-OE1 3.15Å; R19-E23 WeakPolarHBondContact O-CB 3.47Å; R19-E23 WeakPolarHBondContact O-CG 3.24Å; R19-E23 PolarHBondContact O-N 3.41Å; R19-V28 HydrophobicContact CG-CG1 4.23Å; R19-V28 PolarHBondContact NH2-O 2.93Å; R19-C31 HydrophobicContact CB-CB 4.45Å
20S93.2Very high92.1Very high66 Ų6671.9 Ų71.946%0.46234%0.341SS..Hα-helixtrans-71.5-17.9-180-630000114.7Q16 E17 I18 Q24Q16-S20 PolarHBondContact O-N 3.18Å; Q16-S20 PolarHBondContact O-OG 3.23Å; E17-S20 PolarHBondContact O-N 2.85Å; I18-S20 PolarHBondContact O-N 3.04Å; S20-Q24 PolarHBondContact O-NE2 3.05Å
21L91.9Very high92.3Very high19 Ų1971.4 Ų71.410%0.09934%0.339CS..Hα-helixtrans-73.4-41.2166.7-75.4168.8000111.8E17 I18 R19 Y25 L55 Y58 L60E17-L21 WeakPolarHBondContact O-CG 3.49Å; E17-L21 PolarHBondContact O-N 2.9Å; I18-L21 WeakPolarHBondContact O-CB 3.44Å; I18-L21 PolarHBondContact O-N 3.49Å; I18-L21 VanDerWaalsContact O-N 3.09Å; R19-L21 VanDerWaalsContact C-N 3.31Å; R19-L21 PolarHBondContact O-N 3.24Å; L21-Y25 WeakPolarHBondContact O-CD2 3.24Å; L21-Y25 WeakPolarHBondContact O-CE2 3.26Å; L21-L55 HydrophobicContact CB-CD1 4.39Å; L21-L55 HydrophobicContact CB-CD2 4.4Å; L21-L55 HydrophobicContact CD2-CD2 4.47Å; L21-Y58 HydrophobicContact CD1-CD1 4.17Å; L21-Y58 HydrophobicContact CD1-CE1 3.88Å; L21-Y58 HydrophobicContact CD2-CE1 3.91Å; L21-Y58 HydrophobicContact CD2-CE2 4.46Å; L21-L60 HydrophobicContact CD1-CD1 3.56Å
22F92.4Very high92.4Very high0 Ų064.9 Ų64.90%032%0.319CS..Hα-helixtrans-79.3-30.4179.9-77.7-86.4000113.4L4 I6 I18 R19 Q24 Y25 G26 V28 V40 I42 A51 L55 V67L4-F22 HydrophobicContact CD1-CD1 3.85Å; L4-F22 HydrophobicContact CD1-CE1 3.52Å; I6-F22 HydrophobicContact CD1-CD2 4.04Å; I6-F22 HydrophobicContact CD1-CE2 3.3Å; I6-F22 HydrophobicContact CD1-CZ 3.68Å; I6-F22 HydrophobicContact CG1-CE2 3.98Å; I6-F22 HydrophobicContact CG1-CZ 3.85Å; I18-F22 HydrophobicContact CG2-CD2 3.91Å; I18-F22 HydrophobicContact CG2-CE2 4.01Å; I18-F22 WeakPolarHBondContact O-CD2 3.48Å; I18-F22 PolarHBondContact O-N 3.33Å; I18-F22 VanDerWaalsContact O-N 3.09Å; R19-F22 PolarHBondContact O-N 3.14Å; R19-F22 VanDerWaalsContact O-N 3.15Å; F22-Q24 PolarHBondContact O-N 2.89Å; F22-Q24 VanDerWaalsContact O-N 3.13Å; F22-Y25 PolarHBondContact O-N 3.12Å; F22-G26 PolarHBondContact O-N 3.44Å; F22-V28 HydrophobicContact CB-CG2 3.65Å; F22-V40 HydrophobicContact CB-CG1 3.98Å; F22-V40 HydrophobicContact CD1-CG1 4.32Å; F22-V40 HydrophobicContact CD2-CG2 4.07Å; F22-V40 HydrophobicContact CG-CB 4.46Å; F22-V40 HydrophobicContact CG-CG1 4.03Å; F22-V40 HydrophobicContact CG-CG2 4.35Å; F22-I42 HydrophobicContact CB-CD1 4.45Å; F22-I42 HydrophobicContact CD1-CD1 3.97Å; F22-A51 HydrophobicContact CD1-CB 3.69Å; F22-A51 HydrophobicContact CE1-CB 3.85Å; F22-L55 HydrophobicContact CD1-CD1 3.65Å; F22-L55 HydrophobicContact CD2-CD1 3.94Å; F22-L55 HydrophobicContact CE1-CD1 3.55Å; F22-L55 HydrophobicContact CE2-CD1 3.81Å; F22-L55 HydrophobicContact CG-CD1 3.86Å; F22-L55 HydrophobicContact CZ-CB 4.35Å; F22-L55 HydrophobicContact CZ-CD1 3.63Å; F22-V67 HydrophobicContact CE1-CG1 3.81Å; F22-V67 HydrophobicContact CZ-CB 4.45Å; F22-V67 HydrophobicContact CZ-CG1 3.71Å; F22-V67 HydrophobicContact CZ-CG2 3.8Å
23E93.4Very high92.5Very high79 Ų7961.1 Ų61.137%0.36930%0.302SS..THydrogen-bonded Turntrans-61.2-18.4175.8-78.3174.5160.600113.8R19 Y25 G26 V28R19-E23 HydrophobicContact CG-CG 4.2Å; R19-E23 WeakPolarHBondContact CG-OE1 3.16Å; R19-E23 IonicContact CZ-OE1 2.65Å; R19-E23 VanDerWaalsContact CZ-OE1 3.28Å; R19-E23 IonicContact NE-OE1 3.48Å; R19-E23 PolarHBondContact NE-OE1 3.29Å; R19-E23 IonicContact NH2-OE1 2.93Å; R19-E23 PolarHBondContact NH2-OE1 3.15Å; R19-E23 WeakPolarHBondContact O-CB 3.47Å; R19-E23 WeakPolarHBondContact O-CG 3.24Å; R19-E23 PolarHBondContact O-N 3.41Å; E23-Y25 VanDerWaalsContact C-N 3.29Å; E23-Y25 PolarHBondContact O-N 3.11Å; E23-G26 WeakPolarHBondContact CA-O 3.19Å; E23-V28 HydrophobicContact CG-CB 3.82Å; E23-V28 HydrophobicContact CG-CG2 3.73Å
24Q92.1Very high92.6Very high140 Ų14063.9 Ų63.965%0.65432%0.315SS*.THydrogen-bonded Turntrans-70.8-20.9173.3-71.7168.367.400113.8S20 F22S20-Q24 PolarHBondContact O-NE2 3.05Å; F22-Q24 PolarHBondContact O-N 2.89Å; F22-Q24 VanDerWaalsContact O-N 3.13Å
25Y92.5Very high92.4Very high76 Ų7669 Ų6930%0.29833%0.332SS..THydrogen-bonded Turntrans-103.5-29.2-178.5-61.1-85.5000112.4L21 F22 E23 A47 D50 A51 N54 L55L21-Y25 WeakPolarHBondContact O-CD2 3.24Å; L21-Y25 WeakPolarHBondContact O-CE2 3.26Å; F22-Y25 PolarHBondContact O-N 3.12Å; E23-Y25 VanDerWaalsContact C-N 3.29Å; E23-Y25 PolarHBondContact O-N 3.11Å; Y25-A47 WeakPolarHBondContact O-CB 3.32Å; Y25-D50 HydrophobicContact CD1-CB 4.21Å; Y25-A51 HydrophobicContact CD2-CB 4.07Å; Y25-A51 HydrophobicContact CG-CB 3.87Å; Y25-N54 HydrophobicContact CE1-CB 3.58Å; Y25-N54 VanDerWaalsContact OH-CB 3.28Å; Y25-N54 WeakPolarHBondContact OH-CB 3.25Å; Y25-L55 HydrophobicContact CD2-CD1 3.9Å; Y25-L55 HydrophobicContact CD2-CG 4.31Å; Y25-L55 HydrophobicContact CE2-CD1 3.64Å; Y25-L55 HydrophobicContact CE2-CD2 3.88Å; Y25-L55 HydrophobicContact CE2-CG 3.6Å
26G91.2Very high92.3Very high17 Ų1768.1 Ų68.118%0.17533%0.33CS..SBendtrans177.1175173.700000113F22 E23 V28F22-G26 PolarHBondContact O-N 3.44Å; E23-G26 WeakPolarHBondContact CA-O 3.19Å; G26-V28 PolarHBondContact O-N 3.21Å; G26-V28 VanDerWaalsContact O-N 3.12Å
27K93.8Very high92.3Very high118 Ų11865 Ų6551%0.51331%0.313SS..  trans-65.7111.6-172.8176.7157.2153.2-111.40111.9L29 E43K27-L29 HydrophobicContact CG-CD2 4.3Å; K27-E43 HydrophobicContact CB-CB 4.36Å; K27-E43 WeakPolarHBondContact CD-OE2 3.48Å; K27-E43 WeakPolarHBondContact CE-OE2 3.4Å; K27-E43 WeakPolarHBondContact CG-OE2 3.32Å; K27-E43 IonicContact NZ-OE1 3.42Å; K27-E43 PolarHBondContact NZ-OE1 2.76Å; K27-E43 IonicContact NZ-OE2 3.7Å; K27-E43 PolarHBondContact NZ-OE2 2.89Å; K27-E43 PolarHBondContact O-N 3.29Å
28V94.5Very high92.3Very high5 Ų561.9 Ų61.93%0.0330%0.298CS..EExtended strand (participates in β ladder)trans-78.9121.5172.1175.10000109.5R19 F22 E23 G26 C31 V40R19-V28 HydrophobicContact CG-CG1 4.23Å; R19-V28 PolarHBondContact NH2-O 2.93Å; F22-V28 HydrophobicContact CB-CG2 3.65Å; E23-V28 HydrophobicContact CG-CB 3.82Å; E23-V28 HydrophobicContact CG-CG2 3.73Å; G26-V28 PolarHBondContact O-N 3.21Å; G26-V28 VanDerWaalsContact O-N 3.12Å; V28-C31 HydrophobicContact CG1-CB 4.46Å; V28-V40 HydrophobicContact CG1-CG1 3.97Å; V28-V40 HydrophobicContact CG2-CG1 3.88Å
29L93Very high92.3Very high73 Ų7363.9 Ų63.938%0.38231%0.307SS..EExtended strand (participates in β ladder)trans-87.1-40.1177.8-58.7176.5000111.4M1 K27 H41 E43M1-L29 HydrophobicContact CE-CD1 4.38Å; M1-L29 HydrophobicContact CG-CD1 4.15Å; M1-L29 HydrophobicContact SD-CD1 4.4Å; K27-L29 HydrophobicContact CG-CD2 4.3Å; L29-H41 HydrophobicContact CB-CB 4.42Å; L29-H41 PolarHBondContact N-O 2.87Å; L29-E43 HydrophobicContact CD1-CB 4.21Å; L29-E43 HydrophobicContact CD2-CB 4.33Å; L29-E43 HydrophobicContact CG-CB 4.28Å
30E91.7Very high92.4Very high93 Ų9360.1 Ų60.144%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-155.1145.7-173.3-177.4177.5-125.800109.8H41E30-H41 HydrophobicContact CB-CB 4.23Å; E30-H41 PolarHBondContact O-N 2.91Å; E30-H41 IonicContact OE2-CE1 2.68Å; E30-H41 PolarHBondContact OE2-CE1 2.96Å; E30-H41 IonicContact OE2-CG 3.78Å; E30-H41 IonicContact OE2-ND1 3.57Å; E30-H41 PolarHBondContact OE2-ND1 2.84Å
31C93.2Very high92.4Very high7 Ų758.1 Ų58.15%0.04728%0.276CS..EExtended strand (participates in β ladder)trans-140.4119.4178.2-1790000109.7E15 R19 V28 F39 V40E15-C31 HydrophobicContact CG-CB 3.87Å; E15-C31 WeakPolarHBondContact CG-O 3.42Å; R19-C31 HydrophobicContact CB-CB 4.45Å; V28-C31 HydrophobicContact CG1-CB 4.46Å; C31-F39 CarbonylContact C-O 3.38Å; C31-F39 WeakPolarHBondContact CA-O 3.36Å; C31-V40 HydrophobicContact CB-CG2 4.15Å
32D92.4Very high92.4Very high67 Ų6757.2 Ų57.236%0.35827%0.271SS..EExtended strand (participates in β ladder)trans-109.1136.7173.9-73.5-50.7000109.9G38 F39D32-G38 CarbonylContact O-C 3.37Å; D32-G38 WeakPolarHBondContact O-CA 3.45Å; D32-F39 PolarHBondContact N-O 3.42Å; D32-F39 PolarHBondContact O-N 3.49Å
33I92.4Very high92.5Very high55 Ų5560.7 Ų60.728%0.28229%0.288SS..EExtended strand (participates in β ladder)trans-117.3128.4163.6-61.3-174.2000110.1L9 T14 E15 I18L9-I33 HydrophobicContact CD1-CD1 4.09Å; L9-I33 HydrophobicContact CD1-CG1 4.13Å; L9-I33 HydrophobicContact CD1-CG2 4.13Å; T14-I33 VanDerWaalsContact C-CD1 3.48Å; E15-I33 HydrophobicContact CB-CD1 4.41Å; I18-I33 HydrophobicContact CB-CD1 4.34Å; I18-I33 HydrophobicContact CG1-CD1 3.8Å
34I90.2Very high92.5Very high69 Ų6961 Ų6135%0.35429%0.292SS..EExtended strand (participates in β ladder)trans-130.297-177.9-53177.9000109N36 Y37 F39I34-N36 PolarHBondContact O-N 3.11Å; I34-Y37 CarbonylContact C-O 3.42Å; I34-Y37 HydrophobicContact CB-CD2 4.33Å; I34-Y37 HydrophobicContact CB-CE2 3.73Å; I34-Y37 HydrophobicContact CD1-CE2 4.3Å; I34-Y37 HydrophobicContact CG1-CE2 4.46Å; I34-Y37 HydrophobicContact CG2-CE1 4.5Å; I34-Y37 HydrophobicContact CG2-CE2 4.16Å; I34-Y37 WeakPolarHBondContact CG2-OH 3.32Å; I34-Y37 PolarHBondContact N-O 3.14Å; I34-Y37 WeakPolarHBondContact O-CD1 3.46Å; I34-Y37 WeakPolarHBondContact O-CE1 3.28Å; I34-Y37 PolarHBondContact O-N 2.94Å; I34-Y37 VanDerWaalsContact O-O 3.13Å; I34-F39 HydrophobicContact CD1-CE2 4.49Å
35K88.2Confident92.5Very high170 Ų17060.8 Ų60.874%0.73929%0.289SS*.THydrogen-bonded Turntrans64.9-82.3178.4-53.2173.9-179.7178.50114.7
36N90.7Very high92.6Very high76 Ų7661.7 Ų61.741%0.40630%0.302SS..THydrogen-bonded Turntrans-131.511-172.1-63.246.3000111.2N8 L9 I34N8-N36 PolarHBondContact N-O 2.99Å; L9-N36 PolarHBondContact N-O 3.17Å; I34-N36 PolarHBondContact O-N 3.11Å
37Y92.6Very high92.7Very high87 Ų8761.1 Ų61.134%0.34130%0.296SS..EExtended strand (participates in β ladder)trans-146.6163.5175.363.5-96.2000109.8F5 I6 I34 F39F5-Y37 AromaticContact CE2-CD2 3.81Å; F5-Y37 HydrophobicContact CE2-CD2 3.81Å; F5-Y37 AromaticContact CE2-CG 3.87Å; F5-Y37 HydrophobicContact CE2-CG 3.87Å; F5-Y37 HydrophobicContact CZ-CG 4.43Å; I6-Y37 CarbonylContact O-C 3.4Å; I6-Y37 WeakPolarHBondContact O-CA 2.99Å; I6-Y37 VanDerWaalsContact O-CB 3.28Å; I6-Y37 WeakPolarHBondContact O-CB 3.11Å; I34-Y37 CarbonylContact C-O 3.42Å; I34-Y37 HydrophobicContact CB-CD2 4.33Å; I34-Y37 HydrophobicContact CB-CE2 3.73Å; I34-Y37 HydrophobicContact CD1-CE2 4.3Å; I34-Y37 HydrophobicContact CG1-CE2 4.46Å; I34-Y37 HydrophobicContact CG2-CE1 4.5Å; I34-Y37 HydrophobicContact CG2-CE2 4.16Å; I34-Y37 WeakPolarHBondContact CG2-OH 3.32Å; I34-Y37 PolarHBondContact N-O 3.14Å; I34-Y37 WeakPolarHBondContact O-CD1 3.46Å; I34-Y37 WeakPolarHBondContact O-CE1 3.28Å; I34-Y37 PolarHBondContact O-N 2.94Å; I34-Y37 VanDerWaalsContact O-O 3.13Å; Y37-F39 HydrophobicContact CD2-CE2 4.24Å; Y37-F39 HydrophobicContact CD2-CZ 4.48Å; Y37-F39 AromaticContact CE2-CE2 3.89Å; Y37-F39 HydrophobicContact CE2-CE2 3.89Å; Y37-F39 HydrophobicContact CE2-CZ 4.27Å
38G92.5Very high92.7Very high1 Ų155.6 Ų55.61%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-141.6174.7176.500000112.7I6 D32I6-G38 PolarHBondContact N-O 3.01Å; I6-G38 PolarHBondContact O-N 3.26Å; D32-G38 CarbonylContact O-C 3.37Å; D32-G38 WeakPolarHBondContact O-CA 3.45Å
39F93.5Very high92.7Very high44 Ų4459.6 Ų59.619%0.19329%0.291CS..EExtended strand (participates in β ladder)trans-132.6136.6171.2-60.5-76.1000109.8K3 L4 F5 C31 D32 I34 Y37K3-F39 HydrophobicContact CD-CD1 4.25Å; K3-F39 VanDerWaalsContact CE-CD1 3.43Å; K3-F39 VanDerWaalsContact CE-CG 3.48Å; K3-F39 HydrophobicContact CG-CB 4.46Å; K3-F39 HydrophobicContact CG-CD1 4.36Å; L4-F39 VanDerWaalsContact O-CA 3.27Å; L4-F39 WeakPolarHBondContact O-CA 3.47Å; F5-F39 HydrophobicContact CB-CD1 4.27Å; F5-F39 HydrophobicContact CB-CE1 4.24Å; F5-F39 HydrophobicContact CD2-CD1 4.03Å; F5-F39 AromaticContact CD2-CE1 3.56Å; F5-F39 HydrophobicContact CD2-CE1 3.56Å; F5-F39 HydrophobicContact CD2-CZ 4.13Å; F5-F39 HydrophobicContact CE2-CE1 4.43Å; F5-F39 HydrophobicContact CG-CE1 4.35Å; C31-F39 CarbonylContact C-O 3.38Å; C31-F39 WeakPolarHBondContact CA-O 3.36Å; D32-F39 PolarHBondContact N-O 3.42Å; D32-F39 PolarHBondContact O-N 3.49Å; I34-F39 HydrophobicContact CD1-CE2 4.49Å; Y37-F39 HydrophobicContact CD2-CE2 4.24Å; Y37-F39 HydrophobicContact CD2-CZ 4.48Å; Y37-F39 AromaticContact CE2-CE2 3.89Å; Y37-F39 HydrophobicContact CE2-CE2 3.89Å; Y37-F39 HydrophobicContact CE2-CZ 4.27Å
40V94.2Very high92.7Very high0 Ų058.8 Ų58.80%029%0.287CS..EExtended strand (participates in β ladder)trans-122.5133.4174.81670000108.7L4 I6 I18 F22 V28 C31 I42L4-V40 PolarHBondContact N-O 3.13Å; L4-V40 PolarHBondContact O-N 2.97Å; L4-V40 VanDerWaalsContact O-N 3.15Å; I6-V40 HydrophobicContact CD1-CB 4.2Å; I6-V40 HydrophobicContact CD1-CG2 3.52Å; I18-V40 HydrophobicContact CG2-CG2 3.95Å; F22-V40 HydrophobicContact CB-CG1 3.98Å; F22-V40 HydrophobicContact CD1-CG1 4.32Å; F22-V40 HydrophobicContact CD2-CG2 4.07Å; F22-V40 HydrophobicContact CG-CB 4.46Å; F22-V40 HydrophobicContact CG-CG1 4.03Å; F22-V40 HydrophobicContact CG-CG2 4.35Å; V28-V40 HydrophobicContact CG1-CG1 3.97Å; V28-V40 HydrophobicContact CG2-CG1 3.88Å; C31-V40 HydrophobicContact CB-CG2 4.15Å; V40-I42 HydrophobicContact CG1-CD1 4.37Å; V40-I42 HydrophobicContact CG1-CG1 3.84Å
41H93.8Very high92.8Very high24 Ų2454.4 Ų54.411%0.11127%0.266CS..EExtended strand (participates in β ladder)trans-102.2116.2172.8-66.2129.5000110M1 V2 K3 L29 E30M1-H41 HydrophobicContact CE-CB 3.61Å; V2-H41 WeakPolarHBondContact O-CA 3.26Å; K3-H41 VanDerWaalsContact CB-CD2 3.48Å; K3-H41 WeakPolarHBondContact CB-CD2 3.29Å; K3-H41 VanDerWaalsContact CD-NE2 3.35Å; K3-H41 WeakPolarHBondContact CD-NE2 3.25Å; K3-H41 VanDerWaalsContact CG-CD2 3.47Å; K3-H41 WeakPolarHBondContact CG-CD2 3.46Å; K3-H41 WeakPolarHBondContact CG-NE2 3.39Å; K3-H41 PolarHBondContact NZ-CE1 3.32Å; K3-H41 PolarHBondContact NZ-NE2 3.05Å; L29-H41 HydrophobicContact CB-CB 4.42Å; L29-H41 PolarHBondContact N-O 2.87Å; E30-H41 HydrophobicContact CB-CB 4.23Å; E30-H41 PolarHBondContact O-N 2.91Å; E30-H41 IonicContact OE2-CE1 2.68Å; E30-H41 PolarHBondContact OE2-CE1 2.96Å; E30-H41 IonicContact OE2-CG 3.78Å; E30-H41 IonicContact OE2-ND1 3.57Å; E30-H41 PolarHBondContact OE2-ND1 2.84Å
42I93.1Very high92.9Very high0 Ų055.8 Ų55.80%027%0.273CS..EExtended strand (participates in β ladder)trans-103.1142.4176.1-56.5-170.4000108.9M1 V2 L4 F22 V40 A47 A48 A51M1-I42 CarbonylContact C-O 3.49Å; M1-I42 WeakPolarHBondContact CA-O 3.2Å; V2-I42 PolarHBondContact N-O 2.88Å; V2-I42 PolarHBondContact O-N 2.83Å; L4-I42 HydrophobicContact CD1-CD1 3.74Å; L4-I42 HydrophobicContact CD1-CG1 4.4Å; F22-I42 HydrophobicContact CB-CD1 4.45Å; F22-I42 HydrophobicContact CD1-CD1 3.97Å; V40-I42 HydrophobicContact CG1-CD1 4.37Å; V40-I42 HydrophobicContact CG1-CG1 3.84Å; I42-A47 HydrophobicContact CG2-CB 3.86Å; I42-A48 HydrophobicContact CB-CB 4.28Å; I42-A48 HydrophobicContact CD1-CB 4.43Å; I42-A51 HydrophobicContact CD1-CB 4.08Å
43E93.3Very high93Very high74 Ų7461.2 Ų61.235%0.34629%0.288SS..SBendtrans-64.6-51.4178.5-166.2162.8-142.700111.9M1 K27 L29M1-E43 WeakPolarHBondContact CA-O 3.48Å; M1-E43 PolarHBondContact N-O 3.09Å; K27-E43 HydrophobicContact CB-CB 4.36Å; K27-E43 WeakPolarHBondContact CD-OE2 3.48Å; K27-E43 WeakPolarHBondContact CE-OE2 3.4Å; K27-E43 WeakPolarHBondContact CG-OE2 3.32Å; K27-E43 IonicContact NZ-OE1 3.42Å; K27-E43 PolarHBondContact NZ-OE1 2.76Å; K27-E43 IonicContact NZ-OE2 3.7Å; K27-E43 PolarHBondContact NZ-OE2 2.89Å; K27-E43 PolarHBondContact O-N 3.29Å; L29-E43 HydrophobicContact CD1-CB 4.21Å; L29-E43 HydrophobicContact CD2-CB 4.33Å; L29-E43 HydrophobicContact CG-CB 4.28Å
44D93.2Very high93Very high86 Ų8663 Ų6346%0.4630%0.299SS..  trans-92.1145.4-177-63.6-59.7000114.2A47 A48D44-A47 HydrophobicContact CB-CB 3.91Å; D44-A48 WeakPolarHBondContact O-CB 3.26Å; D44-A48 PolarHBondContact O-N 3.09Å
45K92.3Very high93.1Very high134 Ų13459.8 Ų59.858%0.58328%0.282SS*.Hα-helixtrans-72.9-42.7176.9177.3-179.5167.6-174.60112.3V2 A48 E49V2-K45 HydrophobicContact CG2-CB 3.9Å; V2-K45 HydrophobicContact CG2-CG 4.1Å; K45-A48 WeakPolarHBondContact O-CB 3.31Å; K45-A48 PolarHBondContact O-N 2.91Å; K45-E49 WeakPolarHBondContact CE-OE1 3.43Å; K45-E49 IonicContact NZ-OE1 2.77Å; K45-E49 PolarHBondContact O-N 3.36Å
46T94Very high93.2Very high95 Ų9555.4 Ų55.458%0.58326%0.264SS*.Hα-helixtrans-61.6-50178.943.30000111A48 E49 D50T46-A48 PolarHBondContact O-N 3.15Å; T46-E49 PolarHBondContact O-N 3.09Å; T46-D50 PolarHBondContact O-N 2.8Å
47A94.2Very high93.3Very high6 Ų657.3 Ų57.35%0.0527%0.27CS..Hα-helixtrans-53.9-38.3172.900000113.1Y25 I42 D44 A51Y25-A47 WeakPolarHBondContact O-CB 3.32Å; I42-A47 HydrophobicContact CG2-CB 3.86Å; D44-A47 HydrophobicContact CB-CB 3.91Å; A47-A51 VanDerWaalsContact O-CB 3.25Å; A47-A51 WeakPolarHBondContact O-CB 3.37Å; A47-A51 PolarHBondContact O-N 2.78Å
48A93.3Very high93.2Very high1 Ų158.1 Ų58.11%0.00827%0.274CS..Hα-helixtrans-69.3-40.5176.800000112.7V2 L4 I42 D44 K45 T46 A51 I52V2-A48 HydrophobicContact CB-CB 3.75Å; V2-A48 HydrophobicContact CG1-CB 3.81Å; V2-A48 HydrophobicContact CG2-CB 4.29Å; L4-A48 HydrophobicContact CD1-CB 4.37Å; L4-A48 HydrophobicContact CD2-CB 4.11Å; L4-A48 HydrophobicContact CG-CB 4.39Å; I42-A48 HydrophobicContact CB-CB 4.28Å; I42-A48 HydrophobicContact CD1-CB 4.43Å; D44-A48 WeakPolarHBondContact O-CB 3.26Å; D44-A48 PolarHBondContact O-N 3.09Å; K45-A48 WeakPolarHBondContact O-CB 3.31Å; K45-A48 PolarHBondContact O-N 2.91Å; T46-A48 PolarHBondContact O-N 3.15Å; A48-A51 PolarHBondContact O-N 2.84Å; A48-I52 WeakPolarHBondContact O-CD1 3.28Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.42Å; A48-I52 PolarHBondContact O-N 2.81Å
49E94.1Very high93.2Very high90 Ų9064.7 Ų64.742%0.42130%0.302SS..Hα-helixtrans-67.4-36174.1-70.5173.7172.100111.9K45 T46 R53K45-E49 WeakPolarHBondContact CE-OE1 3.43Å; K45-E49 IonicContact NZ-OE1 2.77Å; K45-E49 PolarHBondContact O-N 3.36Å; T46-E49 PolarHBondContact O-N 3.09Å; E49-R53 VanDerWaalsContact O-CG 3.29Å; E49-R53 WeakPolarHBondContact O-CG 3.1Å; E49-R53 PolarHBondContact O-N 3.41Å
50D94.3Very high93Very high56 Ų5663.2 Ų63.230%0.29930%0.296SS..Hα-helixtrans-68.5-43173.2-69.3-29000112.2Y25 T46 R53 N54Y25-D50 HydrophobicContact CD1-CB 4.21Å; T46-D50 PolarHBondContact O-N 2.8Å; D50-R53 PolarHBondContact O-N 3.36Å; D50-R53 IonicContact OD1-CZ 2.9Å; D50-R53 IonicContact OD1-NE 2.74Å; D50-R53 IonicContact OD1-NH2 2.77Å; D50-R53 PolarHBondContact OD1-NH2 2.93Å; D50-N54 PolarHBondContact O-N 3.31Å; D50-N54 VanDerWaalsContact O-N 3.12Å; D50-N54 PolarHBondContact O-ND2 2.88Å
51A94.2Very high92.8Very high0 Ų067 Ų670%031%0.313CS..Hα-helixtrans-61.6-44174.500000111.7L4 F22 Y25 I42 A47 A48 N54 L55L4-A51 HydrophobicContact CD1-CB 4.09Å; F22-A51 HydrophobicContact CD1-CB 3.69Å; F22-A51 HydrophobicContact CE1-CB 3.85Å; Y25-A51 HydrophobicContact CD2-CB 4.07Å; Y25-A51 HydrophobicContact CG-CB 3.87Å; I42-A51 HydrophobicContact CD1-CB 4.08Å; A47-A51 VanDerWaalsContact O-CB 3.25Å; A47-A51 WeakPolarHBondContact O-CB 3.37Å; A47-A51 PolarHBondContact O-N 2.78Å; A48-A51 PolarHBondContact O-N 2.84Å; A51-N54 PolarHBondContact O-N 2.95Å; A51-L55 HydrophobicContact CB-CD1 4.44Å; A51-L55 VanDerWaalsContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CB 3.47Å; A51-L55 PolarHBondContact O-N 3.2Å
52I94.2Very high92.5Very high36 Ų3668.3 Ų68.319%0.18533%0.333CS..Hα-helixtrans-56.2-53.7172.5-69.4155.6000110L4 A48 N54 H56 V67 A69L4-I52 HydrophobicContact CD1-CG1 4.36Å; L4-I52 HydrophobicContact CD2-CD1 3.48Å; L4-I52 VanDerWaalsContact CD2-CD1 3.48Å; L4-I52 HydrophobicContact CD2-CG1 3.62Å; A48-I52 WeakPolarHBondContact O-CD1 3.28Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.42Å; A48-I52 PolarHBondContact O-N 2.81Å; I52-N54 VanDerWaalsContact C-N 3.25Å; I52-N54 PolarHBondContact O-N 2.83Å; I52-H56 WeakPolarHBondContact O-CB 3.45Å; I52-H56 PolarHBondContact O-N 2.85Å; I52-H56 VanDerWaalsContact O-N 3.09Å; I52-V67 HydrophobicContact CB-CG1 4.48Å; I52-V67 HydrophobicContact CG1-CG1 4.05Å; I52-A69 HydrophobicContact CD1-CB 3.95Å
53R93.9Very high92.4Very high181 Ų18170.6 Ų70.668%0.68335%0.347SS*.Hα-helixtrans-62.5-27.7-173.1-74.3-171.7-62167.8-2114.4E49 D50E49-R53 VanDerWaalsContact O-CG 3.29Å; E49-R53 WeakPolarHBondContact O-CG 3.1Å; E49-R53 PolarHBondContact O-N 3.41Å; D50-R53 PolarHBondContact O-N 3.36Å; D50-R53 IonicContact OD1-CZ 2.9Å; D50-R53 IonicContact OD1-NE 2.74Å; D50-R53 IonicContact OD1-NH2 2.77Å; D50-R53 PolarHBondContact OD1-NH2 2.93Å
54N92.4Very high92.4Very high93 Ų9371 Ų7150%0.49735%0.351SS..Hα-helixtrans-106.5-26.7-175.6-64.8-81.4000114.4Y25 D50 A51 I52Y25-N54 HydrophobicContact CE1-CB 3.58Å; Y25-N54 VanDerWaalsContact OH-CB 3.28Å; Y25-N54 WeakPolarHBondContact OH-CB 3.25Å; D50-N54 PolarHBondContact O-N 3.31Å; D50-N54 VanDerWaalsContact O-N 3.12Å; D50-N54 PolarHBondContact O-ND2 2.88Å; A51-N54 PolarHBondContact O-N 2.95Å; I52-N54 VanDerWaalsContact C-N 3.25Å; I52-N54 PolarHBondContact O-N 2.83Å
55L92.6Very high92.4Very high2 Ų266.9 Ų66.91%0.0133%0.329CS..Hα-helixtrans-96.6-12.9179-62.8173.5000113.7L21 F22 Y25 A51 H57 Y58 I65 V67L21-L55 HydrophobicContact CB-CD1 4.39Å; L21-L55 HydrophobicContact CB-CD2 4.4Å; L21-L55 HydrophobicContact CD2-CD2 4.47Å; F22-L55 HydrophobicContact CD1-CD1 3.65Å; F22-L55 HydrophobicContact CD2-CD1 3.94Å; F22-L55 HydrophobicContact CE1-CD1 3.55Å; F22-L55 HydrophobicContact CE2-CD1 3.81Å; F22-L55 HydrophobicContact CG-CD1 3.86Å; F22-L55 HydrophobicContact CZ-CB 4.35Å; F22-L55 HydrophobicContact CZ-CD1 3.63Å; Y25-L55 HydrophobicContact CD2-CD1 3.9Å; Y25-L55 HydrophobicContact CD2-CG 4.31Å; Y25-L55 HydrophobicContact CE2-CD1 3.64Å; Y25-L55 HydrophobicContact CE2-CD2 3.88Å; Y25-L55 HydrophobicContact CE2-CG 3.6Å; A51-L55 HydrophobicContact CB-CD1 4.44Å; A51-L55 VanDerWaalsContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CB 3.47Å; A51-L55 PolarHBondContact O-N 3.2Å; L55-H57 PolarHBondContact O-N 3.25Å; L55-Y58 HydrophobicContact CD2-CD2 4.17Å; L55-Y58 HydrophobicContact CD2-CG 4.19Å; L55-Y58 WeakPolarHBondContact O-CB 3.44Å; L55-Y58 PolarHBondContact O-N 3.21Å; L55-I65 WeakPolarHBondContact O-CG1 3.17Å; L55-V67 HydrophobicContact CB-CG2 3.86Å; L55-V67 WeakPolarHBondContact O-CG2 3.29Å
56H91.7Very high92.5Very high77 Ų7762.4 Ų62.436%0.35631%0.312SS..THydrogen-bonded Turntrans-61.2125.1170.7-172.198.4000110.3I52 Y58 N66 V67I52-H56 WeakPolarHBondContact O-CB 3.45Å; I52-H56 PolarHBondContact O-N 2.85Å; I52-H56 VanDerWaalsContact O-N 3.09Å; H56-Y58 VanDerWaalsContact C-N 3.27Å; H56-Y58 PolarHBondContact O-N 3.33Å; H56-N66 PolarHBondContact CE1-OD1 3.31Å; H56-N66 PolarHBondContact ND1-OD1 3.42Å; H56-N66 VanDerWaalsContact ND1-OD1 3.13Å; H56-V67 HydrophobicContact CB-CB 4.35Å; H56-V67 PolarHBondContact ND1-O 2.8Å
57H91.3Very high92.5Very high117 Ų11757.9 Ų57.954%0.54228%0.284SS..THydrogen-bonded Turntrans64.914.2-169-58.5-31.2000116.5L55 N64 I65L55-H57 PolarHBondContact O-N 3.25Å; H57-N64 PolarHBondContact O-ND2 3.21Å; H57-I65 WeakPolarHBondContact CA-O 3.42Å; H57-I65 PolarHBondContact N-O 3.2Å
58Y91.6Very high92.5Very high104 Ų10460.6 Ų60.641%0.40830%0.296SS..  trans-58.2139.4171.1-175.8-91.2000111.5L21 L55 H56 L60 N64 I65L21-Y58 HydrophobicContact CD1-CD1 4.17Å; L21-Y58 HydrophobicContact CD1-CE1 3.88Å; L21-Y58 HydrophobicContact CD2-CE1 3.91Å; L21-Y58 HydrophobicContact CD2-CE2 4.46Å; L55-Y58 HydrophobicContact CD2-CD2 4.17Å; L55-Y58 HydrophobicContact CD2-CG 4.19Å; L55-Y58 WeakPolarHBondContact O-CB 3.44Å; L55-Y58 PolarHBondContact O-N 3.21Å; H56-Y58 VanDerWaalsContact C-N 3.27Å; H56-Y58 PolarHBondContact O-N 3.33Å; Y58-L60 HydrophobicContact CD1-CB 4.46Å; Y58-L60 HydrophobicContact CE1-CD1 4.4Å; Y58-L60 PolarHBondContact O-N 2.95Å; Y58-N64 WeakPolarHBondContact O-CA 3.43Å; Y58-I65 PolarHBondContact O-N 2.76Å
59K91.8Very high92.4Very high139 Ų13963 Ų6360%0.60432%0.316SS*.EExtended strand (participates in β ladder)trans-95.794.5-172.6-171.9177.2178.8176.80111.5G62 V63K59-G62 VanDerWaalsContact CE-O 3.26Å; K59-G62 WeakPolarHBondContact CE-O 3.4Å; K59-V63 CarbonylContact C-O 3.54Å; K59-V63 WeakPolarHBondContact CA-O 3.27Å
60L89.3Confident92Very high13 Ų1359.9 Ų59.97%0.06830%0.304CS..EExtended strand (participates in β ladder)trans-100.3130.6176.1-16799.6000110P10 A13 I18 L21 Y58 G62 V63 I65P10-L60 HydrophobicContact CG-CD2 3.92Å; A13-L60 HydrophobicContact CB-CD2 3.4Å; A13-L60 VanDerWaalsContact CB-CD2 3.4Å; I18-L60 HydrophobicContact CD1-CD2 4.01Å; L21-L60 HydrophobicContact CD1-CD1 3.56Å; Y58-L60 HydrophobicContact CD1-CB 4.46Å; Y58-L60 HydrophobicContact CE1-CD1 4.4Å; Y58-L60 PolarHBondContact O-N 2.95Å; L60-G62 PolarHBondContact O-N 2.88Å; L60-V63 PolarHBondContact N-O 3.35Å; L60-V63 PolarHBondContact O-N 3.08Å; L60-I65 HydrophobicContact CB-CG2 3.98Å
61H89.3Confident91.1Very high79 Ų7965 Ų6537%0.36632%0.323SS..THydrogen-bonded Turntrans44.941.7-179.9-53.9-41.4000113.8P10 E12 E17 V63P10-H61 HydrophobicContact CB-CB 4.35Å; P10-H61 HydrophobicContact CG-CB 3.91Å; E12-H61 HydrophobicContact CB-CB 4.42Å; E17-H61 VanDerWaalsContact CD-NE2 3.31Å; E17-H61 IonicContact OE1-CE1 3.07Å; E17-H61 PolarHBondContact OE1-CE1 3.46Å; E17-H61 IonicContact OE1-NE2 2.99Å; E17-H61 PolarHBondContact OE1-NE2 3.21Å; E17-H61 IonicContact OE2-CD2 4Å; E17-H61 IonicContact OE2-CE1 3.9Å; E17-H61 IonicContact OE2-NE2 3.01Å; E17-H61 PolarHBondContact OE2-NE2 3.48Å; H61-V63 VanDerWaalsContact C-N 3.29Å; H61-V63 PolarHBondContact O-N 3.12Å
62G88.4Confident89.6Confident51 Ų5170.3 Ų70.353%0.52635%0.352SS..THydrogen-bonded Turntrans84-16.5-178.400000116.1K59 L60K59-G62 VanDerWaalsContact CE-O 3.26Å; K59-G62 WeakPolarHBondContact CE-O 3.4Å; L60-G62 PolarHBondContact O-N 2.88Å
63V91.1Very high87.9Confident49 Ų4976.6 Ų76.630%0.29738%0.378SS..EExtended strand (participates in β ladder)trans-103.2138.7-173.7-179.30000111.5N8 P10 K59 L60 H61N8-V63 VanDerWaalsContact ND2-CG1 3.29Å; N8-V63 WeakPolarHBondContact ND2-CG1 3.33Å; N8-V63 WeakPolarHBondContact O-CG1 3.47Å; P10-V63 HydrophobicContact CB-CB 4.29Å; P10-V63 HydrophobicContact CB-CG2 4.05Å; P10-V63 HydrophobicContact CG-CB 4.36Å; K59-V63 CarbonylContact C-O 3.54Å; K59-V63 WeakPolarHBondContact CA-O 3.27Å; L60-V63 PolarHBondContact N-O 3.35Å; L60-V63 PolarHBondContact O-N 3.08Å; H61-V63 VanDerWaalsContact C-N 3.29Å; H61-V63 PolarHBondContact O-N 3.12Å
64N93.5Very high86Confident81 Ų8169.5 Ų69.543%0.43336%0.356SS..EExtended strand (participates in β ladder)trans-81116.9173.6-62.490.6000110.7N8 H57 Y58N8-N64 PolarHBondContact ND2-O 3.44Å; H57-N64 PolarHBondContact O-ND2 3.21Å; Y58-N64 WeakPolarHBondContact O-CA 3.43Å
65I94.1Very high84.3Confident0 Ų074.2 Ų74.20%037%0.372CS..PPolyproline II helixtrans-76.9148.217773179.5000110.6I6 L9 L55 H57 Y58 L60 V67I6-I65 HydrophobicContact CG2-CB 4.32Å; I6-I65 HydrophobicContact CG2-CD1 4.25Å; L9-I65 HydrophobicContact CD2-CB 4.36Å; L9-I65 HydrophobicContact CD2-CG2 3.79Å; L55-I65 WeakPolarHBondContact O-CG1 3.17Å; H57-I65 WeakPolarHBondContact CA-O 3.42Å; H57-I65 PolarHBondContact N-O 3.2Å; Y58-I65 PolarHBondContact O-N 2.76Å; L60-I65 HydrophobicContact CB-CG2 3.98Å; I65-V67 HydrophobicContact CD1-CG2 3.97Å; I65-V67 HydrophobicContact CG1-CG2 4.05Å
66N93.5Very high83Confident40 Ų4077.4 Ų77.421%0.21440%0.399CS..EExtended strand (participates in β ladder)trans-102118.4171.7176.423.3000109.2I6 G7 H56 E68I6-N66 CarbonylContact C-O 3.41Å; I6-N66 VanDerWaalsContact CA-O 3.26Å; I6-N66 WeakPolarHBondContact CA-O 3.47Å; G7-N66 PolarHBondContact N-O 3.17Å; G7-N66 PolarHBondContact O-N 2.88Å; H56-N66 PolarHBondContact CE1-OD1 3.31Å; H56-N66 PolarHBondContact ND1-OD1 3.42Å; H56-N66 VanDerWaalsContact ND1-OD1 3.13Å; N66-E68 PolarHBondContact ND2-OE1 3.11Å
67V94.3Very high82.4Confident0 Ų074.8 Ų74.80%039%0.389CS..EExtended strand (participates in β ladder)trans-109.1122.7176-174.20000109.2L4 I6 F22 I52 L55 H56 I65L4-V67 HydrophobicContact CD1-CG1 4.42Å; I6-V67 HydrophobicContact CG2-CG2 4.41Å; F22-V67 HydrophobicContact CE1-CG1 3.81Å; F22-V67 HydrophobicContact CZ-CB 4.45Å; F22-V67 HydrophobicContact CZ-CG1 3.71Å; F22-V67 HydrophobicContact CZ-CG2 3.8Å; I52-V67 HydrophobicContact CB-CG1 4.48Å; I52-V67 HydrophobicContact CG1-CG1 4.05Å; L55-V67 HydrophobicContact CB-CG2 3.86Å; L55-V67 WeakPolarHBondContact O-CG2 3.29Å; H56-V67 HydrophobicContact CB-CB 4.35Å; H56-V67 PolarHBondContact ND1-O 2.8Å; I65-V67 HydrophobicContact CD1-CG2 3.97Å; I65-V67 HydrophobicContact CG1-CG2 4.05Å
68E93.1Very high82.1Confident63 Ų6370.4 Ų70.429%0.29437%0.371SS..EExtended strand (participates in β ladder)trans-130.8156.8176.7-77.4-177.2-12400110.8L4 F5 N66 S70 K71L4-E68 WeakPolarHBondContact CA-O 3.35Å; F5-E68 PolarHBondContact N-O 3.12Å; F5-E68 PolarHBondContact O-N 3.49Å; N66-E68 PolarHBondContact ND2-OE1 3.11Å; E68-S70 PolarHBondContact O-N 3.2Å; E68-K71 IonicContact OE2-NZ 2.92Å; E68-K71 PolarHBondContact OE2-NZ 2.92Å
69A91.2Very high82Confident53 Ų5366.2 Ų66.244%0.43836%0.355SS..EExtended strand (participates in β ladder)trans-59.2127.2160.400000108.6I52 K71I52-A69 HydrophobicContact CD1-CB 3.95Å; A69-K71 PolarHBondContact O-N 3.04Å
70S85.4Confident82Confident23 Ų2359.6 Ų59.616%0.16133%0.326CS..  trans-67.3105.1-179.5-165.80000109.2K3 E68 N72K3-S70 WeakPolarHBondContact O-CA 3.24Å; K3-S70 WeakPolarHBondContact O-CB 3.49Å; K3-S70 PolarHBondContact O-N 2.84Å; E68-S70 PolarHBondContact O-N 3.2Å; S70-N72 PolarHBondContact O-N 3.27Å
71K75.5Confident82.1Confident163 Ų16361.5 Ų61.571%0.70934%0.335SS*.  trans-66.191.3165.3-67.9160.8-170.2140.30106.6E68 A69 K73E68-K71 IonicContact OE2-NZ 2.92Å; E68-K71 PolarHBondContact OE2-NZ 2.92Å; A69-K71 PolarHBondContact O-N 3.04Å; K71-K73 PolarHBondContact O-N 2.96Å
72N64.4Low82.3Confident112 Ų11257.8 Ų57.860%0.59932%0.317SS*.  trans-60.388.5170.4-79.618.8000108.3S70 S74S70-N72 PolarHBondContact O-N 3.27Å; N72-S74 PolarHBondContact O-N 2.89Å
73K57.4Low82.4Confident168 Ų16855.8 Ų55.873%0.7330%0.297SS*.  trans-58.893.7153.3-79-172.1172.7-175.40105.4K71 K75K71-K73 PolarHBondContact O-N 2.96Å; K73-K75 PolarHBondContact O-N 3.02Å
74S54.3Low82.4Confident33 Ų3357.2 Ų57.223%0.23130%0.303CS..  trans-60.7109.2-174.5390000107.9N72 A76 S77 E119N72-S74 PolarHBondContact O-N 2.89Å; S74-A76 PolarHBondContact O-N 2.85Å; S74-S77 WeakPolarHBondContact O-CB 3.2Å; S74-S77 PolarHBondContact O-N 3.3Å; S74-S77 PolarHBondContact O-OG 3.37Å; S74-S77 VanDerWaalsContact O-OG 3.06Å; S74-S77 WeakPolarHBondContact OG-CB 3.31Å; S74-E119 PolarHBondContact OG-O 2.93Å
75K57.3Low82.2Confident192 Ų19253.6 Ų53.684%0.83528%0.284SS*.THydrogen-bonded Turntrans-65.8-0.3168.9-64.1-179.3-179.4175.40112.2K73 L150K73-K75 PolarHBondContact O-N 3.02Å; K75-L150 WeakPolarHBondContact O-CD2 3.42Å
76A65.2Low81.9Confident69 Ų6954.3 Ų54.357%0.5729%0.288SS*.THydrogen-bonded Turntrans-11412.6171.800000112.8S74 T78S74-A76 PolarHBondContact O-N 2.85Å; A76-T78 PolarHBondContact O-N 3.47Å; A76-T78 PolarHBondContact O-OG1 3.13Å
77S78.1Confident81.5Confident22 Ų2257.6 Ų57.615%0.15431%0.312CS..  trans-57.7123.8169.157.30000108.7S74 K79 M118S74-S77 WeakPolarHBondContact O-CB 3.2Å; S74-S77 PolarHBondContact O-N 3.3Å; S74-S77 PolarHBondContact O-OG 3.37Å; S74-S77 VanDerWaalsContact O-OG 3.06Å; S74-S77 WeakPolarHBondContact OG-CB 3.31Å; S77-K79 PolarHBondContact O-N 2.86Å; S77-M118 CarbonylContact C-O 3.41Å; S77-M118 WeakPolarHBondContact CA-O 3.17Å; S77-M118 WeakPolarHBondContact CB-O 3.09Å
78T85.7Confident81.1Confident25 Ų2562.1 Ų62.115%0.15334%0.34CS..EExtended strand (participates in β ladder)trans-90.9112.9-171.1-68.90000109.4A76 L80 M118 A121 A124 L145A76-T78 PolarHBondContact O-N 3.47Å; A76-T78 PolarHBondContact O-OG1 3.13Å; T78-L80 HydrophobicContact CG2-CD2 4.26Å; T78-M118 PolarHBondContact N-O 2.92Å; T78-M118 VanDerWaalsContact N-O 3.12Å; T78-M118 PolarHBondContact O-N 2.89Å; T78-A121 WeakPolarHBondContact OG1-CA 3.34Å; T78-A121 WeakPolarHBondContact OG1-CB 3.49Å; T78-A124 HydrophobicContact CG2-CB 3.46Å; T78-A124 VanDerWaalsContact CG2-CB 3.46Å; T78-L145 HydrophobicContact CG2-CD2 3.5Å
79K88.6Confident80.8Confident15 Ų1559.7 Ų59.77%0.06533%0.329CS..EExtended strand (participates in β ladder)trans-79.3122.9175.1-169.4175.3-169.9131.70110S77 F115 H117 S146S77-K79 PolarHBondContact O-N 2.86Å; K79-F115 HydrophobicContact CD-CD1 4.34Å; K79-F115 VanDerWaalsContact CE-CG 3.41Å; K79-H117 VanDerWaalsContact CD-NE2 3.29Å; K79-H117 WeakPolarHBondContact CD-NE2 3.1Å; K79-H117 VanDerWaalsContact CE-NE2 3.33Å; K79-H117 WeakPolarHBondContact CE-NE2 3.49Å; K79-H117 PolarHBondContact NZ-CE1 3.2Å; K79-H117 PolarHBondContact NZ-NE2 3.15Å; K79-S146 WeakPolarHBondContact O-CB 3.5Å; K79-S146 PolarHBondContact O-N 2.79Å
80L91.9Very high80.8Confident0 Ų060.3 Ų60.30%033%0.328CS..EExtended strand (participates in β ladder)trans-96.6150.1170.1-57.8-177.2000110.3T78 F98 F115 V116 M118 A124 A127 I128 V143 Q144 L145T78-L80 HydrophobicContact CG2-CD2 4.26Å; L80-F98 HydrophobicContact CD1-CD1 3.84Å; L80-F98 HydrophobicContact CD1-CE1 3.51Å; L80-F115 WeakPolarHBondContact O-CA 3.34Å; L80-V116 HydrophobicContact CB-CB 4.37Å; L80-V116 PolarHBondContact N-O 3.23Å; L80-V116 PolarHBondContact O-N 3.46Å; L80-M118 HydrophobicContact CD1-CG 3.97Å; L80-M118 HydrophobicContact CG-CG 4.34Å; L80-A124 HydrophobicContact CD1-CB 4.41Å; L80-A124 HydrophobicContact CD2-CB 4.12Å; L80-A124 HydrophobicContact CG-CB 4.4Å; L80-A127 HydrophobicContact CD1-CB 4.19Å; L80-I128 HydrophobicContact CD2-CD1 3.52Å; L80-I128 HydrophobicContact CD2-CG1 3.69Å; L80-V143 HydrophobicContact CD1-CG1 4.31Å; L80-Q144 CarbonylContact C-O 3.6Å; L80-Q144 WeakPolarHBondContact CA-O 3.35Å; L80-L145 HydrophobicContact CD2-CD2 4.21Å
81H92.6Very high81Confident54 Ų5462.8 Ų62.825%0.2534%0.339CS..EExtended strand (participates in β ladder)trans-115.8126.3166.2169.3-86.7000108.2Y113 A114 F115 Q144H81-Y113 AromaticContact NE2-CD2 3.93Å; H81-Y113 AromaticContact NE2-CG 3.96Å; H81-A114 WeakPolarHBondContact CA-O 3.46Å; H81-F115 HydrophobicContact CB-CD1 4.31Å; H81-F115 HydrophobicContact CB-CE1 4.19Å; H81-F115 AromaticContact CD2-CE1 3.67Å; H81-Q144 PolarHBondContact N-O 2.85Å; H81-Q144 PolarHBondContact O-N 2.88Å
82V92.1Very high81.7Confident0 Ų062.8 Ų62.80%034%0.342CS..EExtended strand (participates in β ladder)trans-115.6109.6-178.1-176.10000107.9I85 L94 F98 Y113 A114 V116 M141 H142 V143V82-I85 HydrophobicContact CB-CD1 3.99Å; V82-I85 HydrophobicContact CG1-CD1 3.72Å; V82-I85 HydrophobicContact CG1-CG1 3.83Å; V82-L94 HydrophobicContact CG1-CD1 4.5Å; V82-F98 HydrophobicContact CG2-CE1 4.44Å; V82-F98 HydrophobicContact CG2-CE2 3.81Å; V82-F98 HydrophobicContact CG2-CZ 3.48Å; V82-F98 VanDerWaalsContact CG2-CZ 3.48Å; V82-Y113 CarbonylContact O-C 3.56Å; V82-Y113 WeakPolarHBondContact O-CA 3.35Å; V82-Y113 WeakPolarHBondContact O-CB 3.31Å; V82-A114 HydrophobicContact CB-CB 4.37Å; V82-A114 PolarHBondContact N-O 3.31Å; V82-A114 PolarHBondContact O-N 3.04Å; V82-V116 HydrophobicContact CG2-CG2 4.17Å; V82-M141 HydrophobicContact CG1-CB 4.2Å; V82-M141 HydrophobicContact CG1-SD 3.94Å; V82-H142 CarbonylContact C-O 3.58Å; V82-H142 WeakPolarHBondContact CA-O 3.39Å; V82-V143 HydrophobicContact CG1-CG2 4.2Å; V82-V143 HydrophobicContact CG2-CG1 4.35Å; V82-V143 HydrophobicContact CG2-CG2 4.35Å
83G91.7Very high83Confident10 Ų1061 Ų6110%0.10333%0.33CS..EExtended strand (participates in β ladder)trans-95.7165.7178.900000113.6I85 M141 H142G83-I85 PolarHBondContact O-N 3.04Å; G83-M141 WeakPolarHBondContact O-CA 3.47Å; G83-H142 PolarHBondContact N-O 2.78Å; G83-H142 PolarHBondContact O-N 2.9Å
84N90.4Very high84.6Confident79 Ų7953.1 Ų53.142%0.42230%0.296SS..SBendtrans57.140.7175.7-16741.6000114.8D112 K139 R140N84-D112 PolarHBondContact N-O 3.34Å; N84-D112 VanDerWaalsContact N-O 3.15Å; N84-K139 WeakPolarHBondContact O-CB 3.47Å; N84-K139 WeakPolarHBondContact O-CD 3.41Å; N84-R140 PolarHBondContact ND2-O 2.77Å
85I88.8Confident86.4Confident5 Ų555.9 Ų55.93%0.02630%0.301CS..  trans-74.2148.5177-55.1-179.3000109.6V82 G83 C89 L94 D112 A114 K139V82-I85 HydrophobicContact CB-CD1 3.99Å; V82-I85 HydrophobicContact CG1-CD1 3.72Å; V82-I85 HydrophobicContact CG1-CG1 3.83Å; G83-I85 PolarHBondContact O-N 3.04Å; I85-C89 HydrophobicContact CG2-CB 3.43Å; I85-C89 VanDerWaalsContact CG2-CB 3.43Å; I85-L94 HydrophobicContact CD1-CD2 3.83Å; I85-D112 PolarHBondContact N-O 3.16Å; I85-A114 HydrophobicContact CD1-CB 3.29Å; I85-K139 WeakPolarHBondContact O-CD 3.48Å; I85-K139 PolarHBondContact O-NZ 3.06Å
86S87.8Confident88.1Confident14 Ų1449.1 Ų49.110%0.09828%0.281CS..  trans-70.4136.8171.2-170.50000110.4T88 C89S86-T88 WeakPolarHBondContact CB-OG1 3.48Å; S86-T88 PolarHBondContact O-N 2.88Å; S86-T88 PolarHBondContact OG-OG1 3.06Å; S86-C89 WeakPolarHBondContact O-CB 3.45Å; S86-C89 PolarHBondContact O-N 3.22Å
87P85.2Confident89.3Confident110 Ų11049 Ų4971%0.71427%0.267SS*.THydrogen-bonded Turntrans-64.2-8.217428.9-36.8000113.6
88T87.3Confident90Very high94 Ų9447.9 Ų47.958%0.57726%0.26SS*.THydrogen-bonded Turntrans-83.8-6.9170.553.10000113.8S86 Q137S86-T88 WeakPolarHBondContact CB-OG1 3.48Å; S86-T88 PolarHBondContact O-N 2.88Å; S86-T88 PolarHBondContact OG-OG1 3.06Å; T88-Q137 PolarHBondContact O-NE2 2.85Å; T88-Q137 PolarHBondContact O-OE1 2.86Å; T88-Q137 PolarHBondContact OG1-OE1 2.86Å
89C86.2Confident90.3Very high12 Ų1251.2 Ų51.28%0.08127%0.274CS..  trans-79.8124.7-173.9-176.80000110.7I85 S86 I109 F136I85-C89 HydrophobicContact CG2-CB 3.43Å; I85-C89 VanDerWaalsContact CG2-CB 3.43Å; S86-C89 WeakPolarHBondContact O-CB 3.45Å; S86-C89 PolarHBondContact O-N 3.22Å; C89-I109 HydrophobicContact CB-CD1 4.4Å; C89-I109 VanDerWaalsContact O-CD1 3.29Å; C89-I109 WeakPolarHBondContact O-CD1 3.18Å; C89-F136 HydrophobicContact CB-CE1 4.38Å; C89-F136 VanDerWaalsContact SG-CE1 3.56Å
90T90.3Very high90.5Very high66 Ų6656.2 Ų56.241%0.40530%0.297SS..  trans-86.7150.7174.267.30000111.5Q92 E93 L94 I109T90-Q92 PolarHBondContact O-N 3.42Å; T90-Q92 VanDerWaalsContact O-N 3.08Å; T90-E93 WeakPolarHBondContact CB-OE2 3.45Å; T90-E93 WeakPolarHBondContact CG2-OE2 3.35Å; T90-E93 PolarHBondContact N-OE2 3.32Å; T90-E93 PolarHBondContact O-N 3.25Å; T90-E93 VanDerWaalsContact OG1-CG 3.25Å; T90-E93 WeakPolarHBondContact OG1-CG 3.35Å; T90-E93 PolarHBondContact OG1-N 3.04Å; T90-E93 PolarHBondContact OG1-OE2 3.07Å; T90-L94 PolarHBondContact O-N 3.25Å; T90-L94 VanDerWaalsContact O-N 3.09Å; T90-I109 VanDerWaalsContact C-CD1 3.5Å
91N89.9Confident90.5Very high76 Ų7659.8 Ų59.841%0.40631%0.311SS..Hα-helixtrans-56-28.2175.5-60.2-81.5000112.4R95 I109N91-R95 WeakPolarHBondContact O-CB 3.45Å; N91-R95 PolarHBondContact O-N 2.96Å; N91-I109 HydrophobicContact CB-CD1 4.47Å; N91-I109 VanDerWaalsContact OD1-CB 3.28Å; N91-I109 WeakPolarHBondContact OD1-CB 3.26Å; N91-I109 VanDerWaalsContact OD1-CG1 3.26Å; N91-I109 WeakPolarHBondContact OD1-CG1 3.28Å; N91-I109 PolarHBondContact OD1-N 3.29Å
92Q90.7Very high90.4Very high162 Ų16257.8 Ų57.876%0.75731%0.305SS*.Hα-helixtrans-74.8-46.9179.4-66.8-179.1-5.100112.2T90 R95 A96T90-Q92 PolarHBondContact O-N 3.42Å; T90-Q92 VanDerWaalsContact O-N 3.08Å; Q92-R95 PolarHBondContact O-N 2.74Å; Q92-A96 WeakPolarHBondContact O-CB 3.41Å; Q92-A96 PolarHBondContact O-N 2.68Å
93E91.5Very high90.3Very high76 Ų7660.4 Ų60.436%0.35532%0.322SS..Hα-helixtrans-62-44.3175.5-70.2165108.400111.7T90 A96 K97 F136 Q137T90-E93 WeakPolarHBondContact CB-OE2 3.45Å; T90-E93 WeakPolarHBondContact CG2-OE2 3.35Å; T90-E93 PolarHBondContact N-OE2 3.32Å; T90-E93 PolarHBondContact O-N 3.25Å; T90-E93 VanDerWaalsContact OG1-CG 3.25Å; T90-E93 WeakPolarHBondContact OG1-CG 3.35Å; T90-E93 PolarHBondContact OG1-N 3.04Å; T90-E93 PolarHBondContact OG1-OE2 3.07Å; E93-A96 PolarHBondContact O-N 2.85Å; E93-K97 PolarHBondContact O-N 3.01Å; E93-F136 HydrophobicContact CB-CZ 4.07Å; E93-Q137 VanDerWaalsContact CD-NE2 3.27Å; E93-Q137 PolarHBondContact OE1-NE2 3.04Å; E93-Q137 PolarHBondContact OE2-NE2 3.02Å
94L91.2Very high90.3Very high1 Ų160.4 Ų60.41%0.00532%0.32CS..Hα-helixtrans-63.7-46.9177-168.269.9000110.8V82 I85 T90 A96 K97 F98 I109 A114 V116 M141V82-L94 HydrophobicContact CG1-CD1 4.5Å; I85-L94 HydrophobicContact CD1-CD2 3.83Å; T90-L94 PolarHBondContact O-N 3.25Å; T90-L94 VanDerWaalsContact O-N 3.09Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-A96 PolarHBondContact O-N 3.06Å; L94-K97 PolarHBondContact O-N 3.4Å; L94-K97 VanDerWaalsContact O-N 3.16Å; L94-F98 HydrophobicContact CD1-CD2 4.48Å; L94-F98 HydrophobicContact CD1-CE2 4Å; L94-F98 HydrophobicContact CG-CD2 4.26Å; L94-F98 HydrophobicContact CG-CE2 4.13Å; L94-F98 WeakPolarHBondContact O-CD2 2.77Å; L94-F98 PolarHBondContact O-N 3.06Å; L94-I109 HydrophobicContact CB-CD1 4.3Å; L94-I109 HydrophobicContact CD2-CD1 4.14Å; L94-I109 HydrophobicContact CD2-CG1 3.86Å; L94-A114 HydrophobicContact CD2-CB 3.52Å; L94-V116 HydrophobicContact CD2-CG2 4.48Å; L94-M141 HydrophobicContact CD1-CE 4.27Å
95R92.4Very high90.2Very high92 Ų9260.8 Ų60.835%0.34732%0.321SS..Hα-helixtrans-54.7-50175.6173.1-177.6167.3122.411.8111N91 Q92 K97 F98 E99 V104 C107N91-R95 WeakPolarHBondContact O-CB 3.45Å; N91-R95 PolarHBondContact O-N 2.96Å; Q92-R95 PolarHBondContact O-N 2.74Å; R95-K97 PolarHBondContact O-N 3.4Å; R95-F98 CarbonylContact O-C 3.53Å; R95-F98 PolarHBondContact O-N 2.64Å; R95-E99 WeakPolarHBondContact CG-OE2 3.46Å; R95-E99 IonicContact CZ-OE1 3.57Å; R95-E99 IonicContact CZ-OE2 3.48Å; R95-E99 IonicContact NE-OE1 2.68Å; R95-E99 IonicContact NE-OE2 2.73Å; R95-E99 PolarHBondContact NE-OE2 2.95Å; R95-E99 IonicContact NH2-OE1 3.74Å; R95-E99 PolarHBondContact NH2-OE1 3.47Å; R95-E99 IonicContact NH2-OE2 2.64Å; R95-E99 PolarHBondContact NH2-OE2 2.85Å; R95-E99 WeakPolarHBondContact O-CB 3.33Å; R95-E99 PolarHBondContact O-N 2.75Å; R95-V104 HydrophobicContact CG-CB 4.22Å; R95-V104 HydrophobicContact CG-CG1 4.2Å; R95-V104 HydrophobicContact CG-CG2 4.43Å; R95-C107 HydrophobicContact CB-CB 4.14Å
96A92.8Very high90.1Very high50 Ų5062.3 Ų62.341%0.41333%0.328SS..Hα-helixtrans-56.3-37.8-179.500000112.1Q92 E93 L94 E99 E100Q92-A96 WeakPolarHBondContact O-CB 3.41Å; Q92-A96 PolarHBondContact O-N 2.68Å; E93-A96 PolarHBondContact O-N 2.85Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-A96 PolarHBondContact O-N 3.06Å; A96-E99 PolarHBondContact O-N 2.86Å; A96-E100 PolarHBondContact O-N 3.03Å
97K91.1Very high90.2Very high65 Ų6562.6 Ų62.628%0.28333%0.33SS..Hα-helixtrans-66.9-32.1174.9-85.3-72.8158.5-144.40114.6E93 L94 R95 E100 Y101 L131 F136E93-K97 PolarHBondContact O-N 3.01Å; L94-K97 PolarHBondContact O-N 3.4Å; L94-K97 VanDerWaalsContact O-N 3.16Å; R95-K97 PolarHBondContact O-N 3.4Å; K97-E100 WeakPolarHBondContact CE-OE1 3.36Å; K97-E100 IonicContact NZ-OE1 2.89Å; K97-E100 PolarHBondContact NZ-OE1 2.92Å; K97-E100 IonicContact NZ-OE2 3.51Å; K97-E100 PolarHBondContact NZ-OE2 2.84Å; K97-Y101 WeakPolarHBondContact O-CD2 3.1Å; K97-Y101 WeakPolarHBondContact O-CE2 3.11Å; K97-L131 HydrophobicContact CD-CD2 4.28Å; K97-F136 HydrophobicContact CG-CD2 4.29Å; K97-F136 HydrophobicContact CG-CE2 3.74Å
98F92Very high90.5Very high0 Ų059.2 Ų59.20%031%0.306CS..Hα-helixtrans-81-28.6172-77.5-85.5000112.5L80 V82 L94 R95 E100 Y101 G102 V104 V116 M118 A127 L131 V143L80-F98 HydrophobicContact CD1-CD1 3.84Å; L80-F98 HydrophobicContact CD1-CE1 3.51Å; V82-F98 HydrophobicContact CG2-CE1 4.44Å; V82-F98 HydrophobicContact CG2-CE2 3.81Å; V82-F98 HydrophobicContact CG2-CZ 3.48Å; V82-F98 VanDerWaalsContact CG2-CZ 3.48Å; L94-F98 HydrophobicContact CD1-CD2 4.48Å; L94-F98 HydrophobicContact CD1-CE2 4Å; L94-F98 HydrophobicContact CG-CD2 4.26Å; L94-F98 HydrophobicContact CG-CE2 4.13Å; L94-F98 WeakPolarHBondContact O-CD2 2.77Å; L94-F98 PolarHBondContact O-N 3.06Å; R95-F98 CarbonylContact O-C 3.53Å; R95-F98 PolarHBondContact O-N 2.64Å; F98-E100 PolarHBondContact O-N 3.29Å; F98-Y101 PolarHBondContact O-N 3.12Å; F98-G102 PolarHBondContact O-N 3.03Å; F98-V104 HydrophobicContact CB-CG2 3.68Å; F98-V116 HydrophobicContact CB-CG1 4.01Å; F98-V116 HydrophobicContact CD1-CG1 4.24Å; F98-V116 HydrophobicContact CD2-CG1 4.3Å; F98-V116 HydrophobicContact CD2-CG2 3.84Å; F98-V116 HydrophobicContact CE2-CG2 3.94Å; F98-V116 HydrophobicContact CG-CB 4.43Å; F98-V116 HydrophobicContact CG-CG1 3.9Å; F98-V116 HydrophobicContact CG-CG2 4.24Å; F98-V116 HydrophobicContact CZ-CG2 4.41Å; F98-M118 HydrophobicContact CB-SD 4.18Å; F98-M118 HydrophobicContact CD1-SD 4.25Å; F98-A127 HydrophobicContact CD1-CB 3.81Å; F98-A127 HydrophobicContact CE1-CB 3.98Å; F98-L131 HydrophobicContact CD1-CD1 3.74Å; F98-L131 HydrophobicContact CD2-CD1 4.08Å; F98-L131 HydrophobicContact CE1-CD1 3.53Å; F98-L131 HydrophobicContact CE2-CD1 3.88Å; F98-L131 HydrophobicContact CG-CD1 3.99Å; F98-L131 HydrophobicContact CZ-CD1 3.59Å; F98-V143 HydrophobicContact CE1-CG1 3.95Å; F98-V143 HydrophobicContact CZ-CG1 3.96Å; F98-V143 HydrophobicContact CZ-CG2 4.1Å
99E93.1Very high90.6Very high94 Ų9456.6 Ų56.644%0.43929%0.288SS..Hα-helixtrans-69-17.2177.1-155151.3-168.900112.4R95 A96 Y101 G102 V104R95-E99 WeakPolarHBondContact CG-OE2 3.46Å; R95-E99 IonicContact CZ-OE1 3.57Å; R95-E99 IonicContact CZ-OE2 3.48Å; R95-E99 IonicContact NE-OE1 2.68Å; R95-E99 IonicContact NE-OE2 2.73Å; R95-E99 PolarHBondContact NE-OE2 2.95Å; R95-E99 IonicContact NH2-OE1 3.74Å; R95-E99 PolarHBondContact NH2-OE1 3.47Å; R95-E99 IonicContact NH2-OE2 2.64Å; R95-E99 PolarHBondContact NH2-OE2 2.85Å; R95-E99 WeakPolarHBondContact O-CB 3.33Å; R95-E99 PolarHBondContact O-N 2.75Å; A96-E99 PolarHBondContact O-N 2.86Å; E99-Y101 PolarHBondContact O-N 2.83Å; E99-G102 WeakPolarHBondContact CA-O 3.47Å; E99-V104 HydrophobicContact CB-CG2 4.33Å
100E92.4Very high90.7Very high120 Ų12057.6 Ų57.656%0.56129%0.294SS*.THydrogen-bonded Turntrans-64.8-20.6165.3-74.8167.4-15000113.9A96 K97 F98A96-E100 PolarHBondContact O-N 3.03Å; K97-E100 WeakPolarHBondContact CE-OE1 3.36Å; K97-E100 IonicContact NZ-OE1 2.89Å; K97-E100 PolarHBondContact NZ-OE1 2.92Å; K97-E100 IonicContact NZ-OE2 3.51Å; K97-E100 PolarHBondContact NZ-OE2 2.84Å; F98-E100 PolarHBondContact O-N 3.29Å
101Y92.2Very high90.4Very high76 Ų7662.8 Ų62.830%0.29831%0.311SS..THydrogen-bonded Turntrans-107.1-28.5-179.6-63.3-93.7000113.3K97 F98 E99 E126 A127 G130 L131K97-Y101 WeakPolarHBondContact O-CD2 3.1Å; K97-Y101 WeakPolarHBondContact O-CE2 3.11Å; F98-Y101 PolarHBondContact O-N 3.12Å; E99-Y101 PolarHBondContact O-N 2.83Å; Y101-E126 HydrophobicContact CD1-CB 4.28Å; Y101-A127 HydrophobicContact CD1-CB 4.25Å; Y101-A127 HydrophobicContact CD2-CB 4.1Å; Y101-A127 HydrophobicContact CG-CB 3.8Å; Y101-G130 WeakPolarHBondContact OH-CA 3.29Å; Y101-L131 HydrophobicContact CD2-CD1 4Å; Y101-L131 HydrophobicContact CD2-CG 4.32Å; Y101-L131 HydrophobicContact CE2-CD1 3.65Å; Y101-L131 HydrophobicContact CE2-CD2 3.85Å; Y101-L131 HydrophobicContact CE2-CG 3.51Å
102G90Very high90.4Very high11 Ų1163.2 Ų63.211%0.11331%0.313CS..SBendtrans171.9170.2178.500000114.2F98 E99 V104 M118 D123F98-G102 PolarHBondContact O-N 3.03Å; E99-G102 WeakPolarHBondContact CA-O 3.47Å; G102-V104 PolarHBondContact O-N 3.37Å; G102-M118 WeakPolarHBondContact O-CE 3.35Å; G102-D123 WeakPolarHBondContact CA-OD2 3.42Å
103P90.1Very high90.4Very high56 Ų5659 Ų5936%0.36429%0.29SS..  trans-60.8119.8-177.221.9-32.6000113.1E119 D123P103-E119 HydrophobicContact CB-CB 4.41Å; P103-E119 HydrophobicContact CG-CB 3.94Å; P103-E119 PolarHBondContact O-N 2.73Å; P103-D123 WeakPolarHBondContact CD-OD2 3.46Å
104V90.6Very high90.4Very high9 Ų955.3 Ų55.36%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-89.1118.6176.5-179.10000110.2R95 F98 E99 G102 C107 V116 M118R95-V104 HydrophobicContact CG-CB 4.22Å; R95-V104 HydrophobicContact CG-CG1 4.2Å; R95-V104 HydrophobicContact CG-CG2 4.43Å; F98-V104 HydrophobicContact CB-CG2 3.68Å; E99-V104 HydrophobicContact CB-CG2 4.33Å; G102-V104 PolarHBondContact O-N 3.37Å; V104-C107 HydrophobicContact CG1-CB 4.23Å; V104-V116 HydrophobicContact CG1-CG1 3.71Å; V104-V116 HydrophobicContact CG2-CG1 4.24Å; V104-M118 HydrophobicContact CG2-CE 4.39Å; V104-M118 HydrophobicContact CG2-SD 3.97Å
105I88.7Confident90.4Very high88 Ų8857.1 Ų57.145%0.45128%0.281SS..EExtended strand (participates in β ladder)trans-73.8-48.8175.7-64.1177.7000110.8H117 E119I105-H117 HydrophobicContact CB-CB 4.27Å; I105-H117 WeakPolarHBondContact CB-O 3.35Å; I105-H117 PolarHBondContact N-O 2.95Å; I105-E119 HydrophobicContact CD1-CB 4.14Å; I105-E119 HydrophobicContact CD1-CG 4.31Å; I105-E119 HydrophobicContact CG1-CB 4.18Å
106E86.9Confident90.4Very high36 Ų3652.7 Ų52.717%0.16827%0.265CS..EExtended strand (participates in β ladder)trans-152.2143.5-172.1179.7179.1-121.200109.5V116 H117 P154 G155E106-V116 WeakPolarHBondContact O-CA 3.37Å; E106-H117 HydrophobicContact CB-CB 4.32Å; E106-H117 PolarHBondContact O-N 2.97Å; E106-H117 IonicContact OE2-CE1 3.88Å; E106-H117 PolarHBondContact OE2-CE1 3.17Å; E106-H117 IonicContact OE2-ND1 3.68Å; E106-H117 PolarHBondContact OE2-ND1 2.65Å; E106-P154 VanDerWaalsContact OE1-CB 3.31Å; E106-P154 WeakPolarHBondContact OE1-CB 3.42Å; E106-P154 WeakPolarHBondContact OE2-CB 3.5Å; E106-G155 PolarHBondContact OE1-N 3.14Å
107C90.4Very high90.3Very high20 Ų2051.3 Ų51.314%0.13525%0.249CC..EExtended strand (participates in β ladder)trans-141.6108-178.2-177.80000109.1R95 V104 F115R95-C107 HydrophobicContact CB-CB 4.14Å; V104-C107 HydrophobicContact CG1-CB 4.23Å; C107-F115 WeakPolarHBondContact CA-O 3.14Å
108D90.1Very high90.2Very high40 Ų4048.2 Ų48.221%0.21424%0.236CC..EExtended strand (participates in β ladder)trans-115.6106-176.3-67.7-34.2000110.7A114 F115D108-A114 CarbonylContact O-C 3.58Å; D108-A114 WeakPolarHBondContact O-CA 3.14Å; D108-A114 VanDerWaalsContact O-CB 3.31Å; D108-A114 WeakPolarHBondContact O-CB 3.39Å; D108-F115 PolarHBondContact N-O 3.34Å; D108-F115 PolarHBondContact O-N 2.91Å
109I90Very high90Very high39 Ų3952.7 Ų52.720%0.226%0.257CS..EExtended strand (participates in β ladder)trans-80.4127.9166.6-59.9176.1000109.7C89 T90 N91 L94 A114C89-I109 HydrophobicContact CB-CD1 4.4Å; C89-I109 VanDerWaalsContact O-CD1 3.29Å; C89-I109 WeakPolarHBondContact O-CD1 3.18Å; T90-I109 VanDerWaalsContact C-CD1 3.5Å; N91-I109 HydrophobicContact CB-CD1 4.47Å; N91-I109 VanDerWaalsContact OD1-CB 3.28Å; N91-I109 WeakPolarHBondContact OD1-CB 3.26Å; N91-I109 VanDerWaalsContact OD1-CG1 3.26Å; N91-I109 WeakPolarHBondContact OD1-CG1 3.28Å; N91-I109 PolarHBondContact OD1-N 3.29Å; L94-I109 HydrophobicContact CB-CD1 4.3Å; L94-I109 HydrophobicContact CD2-CD1 4.14Å; L94-I109 HydrophobicContact CD2-CG1 3.86Å; I109-A114 HydrophobicContact CB-CB 4.31Å; I109-A114 HydrophobicContact CG1-CB 3.86Å
110V87.6Confident89.7Confident33 Ų3355 Ų5520%0.226%0.262CS..EExtended strand (participates in β ladder)trans-127.995.7178.4-176.20000108.7D112 Y113 M156V110-D112 PolarHBondContact O-N 3.44Å; V110-D112 VanDerWaalsContact O-N 3.09Å; V110-Y113 CarbonylContact C-O 3.37Å; V110-Y113 HydrophobicContact CB-CD2 4.29Å; V110-Y113 HydrophobicContact CB-CE2 3.76Å; V110-Y113 HydrophobicContact CG1-CE1 4.45Å; V110-Y113 HydrophobicContact CG1-CE2 4.02Å; V110-Y113 WeakPolarHBondContact CG1-OH 3.32Å; V110-Y113 PolarHBondContact N-O 3.26Å; V110-Y113 VanDerWaalsContact O-CD1 3.32Å; V110-Y113 WeakPolarHBondContact O-CD1 3.42Å; V110-Y113 WeakPolarHBondContact O-CE1 3.48Å; V110-Y113 PolarHBondContact O-N 3.49Å; V110-Y113 VanDerWaalsContact O-O 3.08Å; V110-M156 HydrophobicContact CG2-CE 4.03Å
111K85.6Confident89.5Confident174 Ų17450.9 Ų50.976%0.75725%0.248SC*.THydrogen-bonded Turntrans63.1-98-177.3-53.2176.5-178.5-1780113.2
112D88.6Confident89.4Confident85 Ų8553.2 Ų53.246%0.45526%0.262SS..THydrogen-bonded Turntrans-113.50.7-171.959.6-61.6000112.9N84 I85 V110N84-D112 PolarHBondContact N-O 3.34Å; N84-D112 VanDerWaalsContact N-O 3.15Å; I85-D112 PolarHBondContact N-O 3.16Å; V110-D112 PolarHBondContact O-N 3.44Å; V110-D112 VanDerWaalsContact O-N 3.09Å
113Y90.6Very high89.5Confident73 Ų7353.6 Ų53.629%0.28626%0.261SS..EExtended strand (participates in β ladder)trans-133.9169.9173.761.1-87.6000110.8H81 V82 V110 F115H81-Y113 AromaticContact NE2-CD2 3.93Å; H81-Y113 AromaticContact NE2-CG 3.96Å; V82-Y113 CarbonylContact O-C 3.56Å; V82-Y113 WeakPolarHBondContact O-CA 3.35Å; V82-Y113 WeakPolarHBondContact O-CB 3.31Å; V110-Y113 CarbonylContact C-O 3.37Å; V110-Y113 HydrophobicContact CB-CD2 4.29Å; V110-Y113 HydrophobicContact CB-CE2 3.76Å; V110-Y113 HydrophobicContact CG1-CE1 4.45Å; V110-Y113 HydrophobicContact CG1-CE2 4.02Å; V110-Y113 WeakPolarHBondContact CG1-OH 3.32Å; V110-Y113 PolarHBondContact N-O 3.26Å; V110-Y113 VanDerWaalsContact O-CD1 3.32Å; V110-Y113 WeakPolarHBondContact O-CD1 3.42Å; V110-Y113 WeakPolarHBondContact O-CE1 3.48Å; V110-Y113 PolarHBondContact O-N 3.49Å; V110-Y113 VanDerWaalsContact O-O 3.08Å; Y113-F115 HydrophobicContact CD2-CE2 4.24Å; Y113-F115 HydrophobicContact CD2-CZ 4.38Å; Y113-F115 AromaticContact CE2-CE2 3.82Å; Y113-F115 HydrophobicContact CE2-CE2 3.82Å; Y113-F115 HydrophobicContact CE2-CZ 4.11Å
114A91.8Very high89.5Confident0 Ų050.9 Ų50.90%024%0.244CC..EExtended strand (participates in β ladder)trans-143.5165.6175.600000112.5H81 V82 I85 L94 D108 I109H81-A114 WeakPolarHBondContact CA-O 3.46Å; V82-A114 HydrophobicContact CB-CB 4.37Å; V82-A114 PolarHBondContact N-O 3.31Å; V82-A114 PolarHBondContact O-N 3.04Å; I85-A114 HydrophobicContact CD1-CB 3.29Å; L94-A114 HydrophobicContact CD2-CB 3.52Å; D108-A114 CarbonylContact O-C 3.58Å; D108-A114 WeakPolarHBondContact O-CA 3.14Å; D108-A114 VanDerWaalsContact O-CB 3.31Å; D108-A114 WeakPolarHBondContact O-CB 3.39Å; I109-A114 HydrophobicContact CB-CB 4.31Å; I109-A114 HydrophobicContact CG1-CB 3.86Å
115F91.7Very high89.6Confident38 Ų3853 Ų5317%0.16726%0.257CS..EExtended strand (participates in β ladder)trans-120.7129170.5-67-64.2000110.3K79 L80 H81 C107 D108 Y113K79-F115 HydrophobicContact CD-CD1 4.34Å; K79-F115 VanDerWaalsContact CE-CG 3.41Å; L80-F115 WeakPolarHBondContact O-CA 3.34Å; H81-F115 HydrophobicContact CB-CD1 4.31Å; H81-F115 HydrophobicContact CB-CE1 4.19Å; H81-F115 AromaticContact CD2-CE1 3.67Å; C107-F115 WeakPolarHBondContact CA-O 3.14Å; D108-F115 PolarHBondContact N-O 3.34Å; D108-F115 PolarHBondContact O-N 2.91Å; Y113-F115 HydrophobicContact CD2-CE2 4.24Å; Y113-F115 HydrophobicContact CD2-CZ 4.38Å; Y113-F115 AromaticContact CE2-CE2 3.82Å; Y113-F115 HydrophobicContact CE2-CE2 3.82Å; Y113-F115 HydrophobicContact CE2-CZ 4.11Å
116V92.2Very high89.8Confident0 Ų054.4 Ų54.40%026%0.261CS..EExtended strand (participates in β ladder)trans-120.9127.7176.4-172.90000108.2L80 V82 L94 F98 V104 E106 M118L80-V116 HydrophobicContact CB-CB 4.37Å; L80-V116 PolarHBondContact N-O 3.23Å; L80-V116 PolarHBondContact O-N 3.46Å; V82-V116 HydrophobicContact CG2-CG2 4.17Å; L94-V116 HydrophobicContact CD2-CG2 4.48Å; F98-V116 HydrophobicContact CB-CG1 4.01Å; F98-V116 HydrophobicContact CD1-CG1 4.24Å; F98-V116 HydrophobicContact CD2-CG1 4.3Å; F98-V116 HydrophobicContact CD2-CG2 3.84Å; F98-V116 HydrophobicContact CE2-CG2 3.94Å; F98-V116 HydrophobicContact CG-CB 4.43Å; F98-V116 HydrophobicContact CG-CG1 3.9Å; F98-V116 HydrophobicContact CG-CG2 4.24Å; F98-V116 HydrophobicContact CZ-CG2 4.41Å; V104-V116 HydrophobicContact CG1-CG1 3.71Å; V104-V116 HydrophobicContact CG2-CG1 4.24Å; E106-V116 WeakPolarHBondContact O-CA 3.37Å; V116-M118 HydrophobicContact CG1-SD 3.9Å
117H90.1Very high90.1Very high20 Ų2052.7 Ų52.79%0.09325%0.253CS..EExtended strand (participates in β ladder)trans-102.9109.4175.7-60.1102.6000109.2K79 I105 E106K79-H117 VanDerWaalsContact CD-NE2 3.29Å; K79-H117 WeakPolarHBondContact CD-NE2 3.1Å; K79-H117 VanDerWaalsContact CE-NE2 3.33Å; K79-H117 WeakPolarHBondContact CE-NE2 3.49Å; K79-H117 PolarHBondContact NZ-CE1 3.2Å; K79-H117 PolarHBondContact NZ-NE2 3.15Å; I105-H117 HydrophobicContact CB-CB 4.27Å; I105-H117 WeakPolarHBondContact CB-O 3.35Å; I105-H117 PolarHBondContact N-O 2.95Å; E106-H117 HydrophobicContact CB-CB 4.32Å; E106-H117 PolarHBondContact O-N 2.97Å; E106-H117 IonicContact OE2-CE1 3.88Å; E106-H117 PolarHBondContact OE2-CE1 3.17Å; E106-H117 IonicContact OE2-ND1 3.68Å; E106-H117 PolarHBondContact OE2-ND1 2.65Å
118M90.2Very high90.3Very high0 Ų053.3 Ų53.30%026%0.255CS..EExtended strand (participates in β ladder)trans-83.7144.5174-55.1-58-71.400109.9S77 T78 L80 F98 G102 V104 V116 R120 D123 A124S77-M118 CarbonylContact C-O 3.41Å; S77-M118 WeakPolarHBondContact CA-O 3.17Å; S77-M118 WeakPolarHBondContact CB-O 3.09Å; T78-M118 PolarHBondContact N-O 2.92Å; T78-M118 VanDerWaalsContact N-O 3.12Å; T78-M118 PolarHBondContact O-N 2.89Å; L80-M118 HydrophobicContact CD1-CG 3.97Å; L80-M118 HydrophobicContact CG-CG 4.34Å; F98-M118 HydrophobicContact CB-SD 4.18Å; F98-M118 HydrophobicContact CD1-SD 4.25Å; G102-M118 WeakPolarHBondContact O-CE 3.35Å; V104-M118 HydrophobicContact CG2-CE 4.39Å; V104-M118 HydrophobicContact CG2-SD 3.97Å; V116-M118 HydrophobicContact CG1-SD 3.9Å; M118-R120 VanDerWaalsContact C-N 3.28Å; M118-R120 WeakPolarHBondContact CB-O 3.36Å; M118-R120 PolarHBondContact O-N 2.82Å; M118-D123 HydrophobicContact CE-CB 4.23Å; M118-A124 HydrophobicContact CB-CB 3.85Å; M118-A124 HydrophobicContact CG-CB 3.67Å
119E86.9Confident90.4Very high95 Ų9561 Ų6144%0.44428%0.281SS..SBendtrans-63.2-38176.6-167.2-171.1132.400112.5S74 P103 I105S74-E119 PolarHBondContact OG-O 2.93Å; P103-E119 HydrophobicContact CB-CB 4.41Å; P103-E119 HydrophobicContact CG-CB 3.94Å; P103-E119 PolarHBondContact O-N 2.73Å; I105-E119 HydrophobicContact CD1-CB 4.14Å; I105-E119 HydrophobicContact CD1-CG 4.31Å; I105-E119 HydrophobicContact CG1-CB 4.18Å
120R86.5Confident90.5Very high141 Ų14160.5 Ų60.553%0.53229%0.286SS..  trans-110.9161.3-174.8-64.1179.8174.7-156.6-0.6111.7M118 D123M118-R120 VanDerWaalsContact C-N 3.28Å; M118-R120 WeakPolarHBondContact CB-O 3.36Å; M118-R120 PolarHBondContact O-N 2.82Å; R120-D123 HydrophobicContact CB-CB 4.23Å; R120-D123 WeakPolarHBondContact CB-OD1 3.32Å; R120-D123 VanDerWaalsContact CD-OD1 3.23Å; R120-D123 WeakPolarHBondContact CD-OD1 3.4Å; R120-D123 WeakPolarHBondContact CD-OD2 3.25Å
121A88.3Confident90.7Very high34 Ų3459.2 Ų59.228%0.28128%0.278SS..SBendtrans-91.4-29.1178.400000112.1T78 V125T78-A121 WeakPolarHBondContact OG1-CA 3.34Å; T78-A121 WeakPolarHBondContact OG1-CB 3.49Å; A121-V125 WeakPolarHBondContact O-CG2 3.38Å; A121-V125 PolarHBondContact O-N 3.06Å
122E89.9Confident91Very high126 Ų12653.2 Ų53.259%0.58925%0.254SS*.Hα-helixtrans-65.6-61.2-179.8-61.667.4-152.600109.6A124 V125 E126E122-A124 PolarHBondContact O-N 3.2Å; E122-A124 VanDerWaalsContact O-N 3.1Å; E122-V125 PolarHBondContact O-N 2.92Å; E122-E126 PolarHBondContact O-N 2.81Å
123D92Very high91Very high18 Ų1852.5 Ų52.510%0.09625%0.25CS..Hα-helixtrans-49.9-37.3174.8-47.720.9000111.9G102 P103 M118 R120 E126 A127G102-D123 WeakPolarHBondContact CA-OD2 3.42Å; P103-D123 WeakPolarHBondContact CD-OD2 3.46Å; M118-D123 HydrophobicContact CE-CB 4.23Å; R120-D123 HydrophobicContact CB-CB 4.23Å; R120-D123 WeakPolarHBondContact CB-OD1 3.32Å; R120-D123 VanDerWaalsContact CD-OD1 3.23Å; R120-D123 WeakPolarHBondContact CD-OD1 3.4Å; R120-D123 WeakPolarHBondContact CD-OD2 3.25Å; D123-E126 PolarHBondContact O-N 2.65Å; D123-A127 VanDerWaalsContact O-CB 3.3Å; D123-A127 WeakPolarHBondContact O-CB 3.42Å; D123-A127 PolarHBondContact O-N 2.65Å
124A91.4Very high91Very high0 Ų051.2 Ų51.20%025%0.25CC..Hα-helixtrans-71.2-35.3179.600000113.2T78 L80 M118 E122 I128T78-A124 HydrophobicContact CG2-CB 3.46Å; T78-A124 VanDerWaalsContact CG2-CB 3.46Å; L80-A124 HydrophobicContact CD1-CB 4.41Å; L80-A124 HydrophobicContact CD2-CB 4.12Å; L80-A124 HydrophobicContact CG-CB 4.4Å; M118-A124 HydrophobicContact CB-CB 3.85Å; M118-A124 HydrophobicContact CG-CB 3.67Å; E122-A124 PolarHBondContact O-N 3.2Å; E122-A124 VanDerWaalsContact O-N 3.1Å; A124-I128 WeakPolarHBondContact O-CD1 3.34Å; A124-I128 VanDerWaalsContact O-CG1 3.28Å; A124-I128 WeakPolarHBondContact O-CG1 3.13Å; A124-I128 PolarHBondContact O-N 2.91Å
125V91.5Very high90.9Very high54 Ų5458.7 Ų58.733%0.32729%0.285SS..Hα-helixtrans-73.2-33.9174.1170.50000110.9A121 E122 R129A121-V125 WeakPolarHBondContact O-CG2 3.38Å; A121-V125 PolarHBondContact O-N 3.06Å; E122-V125 PolarHBondContact O-N 2.92Å; V125-R129 VanDerWaalsContact O-CG 3.28Å; V125-R129 WeakPolarHBondContact O-CG 3.42Å; V125-R129 PolarHBondContact O-N 3.31Å; V125-R129 VanDerWaalsContact O-N 3.1Å
126E93.7Very high90.5Very high117 Ų11758.6 Ų58.655%0.54728%0.284SS..Hα-helixtrans-70.2-42.5173.1-62-163105.700111.7Y101 E122 D123 I128 R129 G130Y101-E126 HydrophobicContact CD1-CB 4.28Å; E122-E126 PolarHBondContact O-N 2.81Å; D123-E126 PolarHBondContact O-N 2.65Å; E126-I128 PolarHBondContact O-N 3.03Å; E126-R129 PolarHBondContact O-N 2.93Å; E126-R129 VanDerWaalsContact O-N 3.12Å; E126-G130 PolarHBondContact O-N 3.41Å
127A93.7Very high89.9Confident0 Ų061.7 Ų61.70%030%0.299CS..Hα-helixtrans-59.4-41.7172.400000112.6L80 F98 Y101 D123 G130 L131L80-A127 HydrophobicContact CD1-CB 4.19Å; F98-A127 HydrophobicContact CD1-CB 3.81Å; F98-A127 HydrophobicContact CE1-CB 3.98Å; Y101-A127 HydrophobicContact CD1-CB 4.25Å; Y101-A127 HydrophobicContact CD2-CB 4.1Å; Y101-A127 HydrophobicContact CG-CB 3.8Å; D123-A127 VanDerWaalsContact O-CB 3.3Å; D123-A127 WeakPolarHBondContact O-CB 3.42Å; D123-A127 PolarHBondContact O-N 2.65Å; A127-G130 PolarHBondContact O-N 3.41Å; A127-L131 VanDerWaalsContact O-CB 3.28Å; A127-L131 WeakPolarHBondContact O-CB 3.1Å; A127-L131 PolarHBondContact O-N 3.19Å
128I93.3Very high89.6Confident33 Ų3364.6 Ų64.617%0.16933%0.334CS..Hα-helixtrans-57.2-51.8170.9-73.2159.1000110.5L80 A124 E126 G130 D132 V143 L145L80-I128 HydrophobicContact CD2-CD1 3.52Å; L80-I128 HydrophobicContact CD2-CG1 3.69Å; A124-I128 WeakPolarHBondContact O-CD1 3.34Å; A124-I128 VanDerWaalsContact O-CG1 3.28Å; A124-I128 WeakPolarHBondContact O-CG1 3.13Å; A124-I128 PolarHBondContact O-N 2.91Å; E126-I128 PolarHBondContact O-N 3.03Å; I128-G130 VanDerWaalsContact C-N 3.27Å; I128-G130 PolarHBondContact O-N 3.19Å; I128-D132 WeakPolarHBondContact O-CB 3.29Å; I128-D132 PolarHBondContact O-N 3.31Å; I128-V143 HydrophobicContact CB-CG1 4.46Å; I128-V143 HydrophobicContact CG1-CG1 3.89Å; I128-L145 HydrophobicContact CD1-CB 4.49Å; I128-L145 HydrophobicContact CD1-CD2 3.6Å; I128-L145 HydrophobicContact CD1-CG 3.61Å
129R93.1Very high89.5Confident200 Ų20067.6 Ų67.676%0.75535%0.347SS*.Hα-helixtrans-66-28.4-175.8-71.7168.8179.6-175.12.1113.7V125 E126V125-R129 VanDerWaalsContact O-CG 3.28Å; V125-R129 WeakPolarHBondContact O-CG 3.42Å; V125-R129 PolarHBondContact O-N 3.31Å; V125-R129 VanDerWaalsContact O-N 3.1Å; E126-R129 PolarHBondContact O-N 2.93Å; E126-R129 VanDerWaalsContact O-N 3.12Å
130G91.3Very high89.7Confident29 Ų2968.6 Ų68.630%0.29935%0.347SS..Hα-helixtrans-92.7-34.2-177.900000114.9Y101 E126 A127 I128 T134Y101-G130 WeakPolarHBondContact OH-CA 3.29Å; E126-G130 PolarHBondContact O-N 3.41Å; A127-G130 PolarHBondContact O-N 3.41Å; I128-G130 VanDerWaalsContact C-N 3.27Å; I128-G130 PolarHBondContact O-N 3.19Å; G130-T134 WeakPolarHBondContact O-CG2 3.48Å
131L91.7Very high89.9Confident7 Ų762.2 Ų62.24%0.03732%0.323CS..Hα-helixtrans-103.6-21.4-175.5-64.2171.8000114.1K97 F98 Y101 A127 N133 T134 M141 V143K97-L131 HydrophobicContact CD-CD2 4.28Å; F98-L131 HydrophobicContact CD1-CD1 3.74Å; F98-L131 HydrophobicContact CD2-CD1 4.08Å; F98-L131 HydrophobicContact CE1-CD1 3.53Å; F98-L131 HydrophobicContact CE2-CD1 3.88Å; F98-L131 HydrophobicContact CG-CD1 3.99Å; F98-L131 HydrophobicContact CZ-CD1 3.59Å; Y101-L131 HydrophobicContact CD2-CD1 4Å; Y101-L131 HydrophobicContact CD2-CG 4.32Å; Y101-L131 HydrophobicContact CE2-CD1 3.65Å; Y101-L131 HydrophobicContact CE2-CD2 3.85Å; Y101-L131 HydrophobicContact CE2-CG 3.51Å; A127-L131 VanDerWaalsContact O-CB 3.28Å; A127-L131 WeakPolarHBondContact O-CB 3.1Å; A127-L131 PolarHBondContact O-N 3.19Å; L131-N133 PolarHBondContact O-N 3.26Å; L131-T134 WeakPolarHBondContact O-CB 3.36Å; L131-T134 WeakPolarHBondContact O-CG2 3.38Å; L131-T134 PolarHBondContact O-N 3.26Å; L131-T134 PolarHBondContact O-OG1 3.18Å; L131-M141 HydrophobicContact CB-SD 4.13Å; L131-M141 WeakPolarHBondContact O-CG 3.37Å; L131-V143 HydrophobicContact CB-CG2 3.89Å
132D91.8Very high90.1Very high48 Ų4863.9 Ų63.926%0.25733%0.325SS..THydrogen-bonded Turntrans-58.3140.8173.2-173.952000110.7I128 T134 H142 V143I128-D132 WeakPolarHBondContact O-CB 3.29Å; I128-D132 PolarHBondContact O-N 3.31Å; D132-T134 PolarHBondContact O-N 3.2Å; D132-T134 VanDerWaalsContact O-N 3.09Å; D132-H142 VanDerWaalsContact OD1-CA 3.31Å; D132-H142 WeakPolarHBondContact OD1-CA 3.23Å; D132-H142 IonicContact OD1-CE1 2.65Å; D132-H142 IonicContact OD1-CG 2.97Å; D132-H142 IonicContact OD1-ND1 3.93Å; D132-H142 PolarHBondContact OD1-ND1 2.86Å; D132-V143 HydrophobicContact CB-CB 4.08Å; D132-V143 PolarHBondContact OD1-N 3.19Å
133N89.9Confident90.3Very high70 Ų7058 Ų5837%0.37430%0.298SS..THydrogen-bonded Turntrans62.49.4-179.9-89.3-90.2000115.6L131 R140 M141L131-N133 PolarHBondContact O-N 3.26Å; N133-R140 VanDerWaalsContact CB-NH2 3.26Å; N133-R140 PolarHBondContact O-NE 3.15Å; N133-R140 PolarHBondContact O-NH2 3.03Å; N133-R140 PolarHBondContact OD1-NH1 3.22Å; N133-R140 VanDerWaalsContact OD1-NH1 3.1Å; N133-R140 PolarHBondContact OD1-NH2 3.07Å; N133-M141 WeakPolarHBondContact CA-O 3.3Å; N133-M141 PolarHBondContact N-O 3.32Å
134T90.4Very high90.2Very high46 Ų4661.8 Ų61.828%0.28232%0.315SS..  trans-81.9152.8176.962.90000113.7G130 L131 D132 R140 M141G130-T134 WeakPolarHBondContact O-CG2 3.48Å; L131-T134 WeakPolarHBondContact O-CB 3.36Å; L131-T134 WeakPolarHBondContact O-CG2 3.38Å; L131-T134 PolarHBondContact O-N 3.26Å; L131-T134 PolarHBondContact O-OG1 3.18Å; D132-T134 PolarHBondContact O-N 3.2Å; D132-T134 VanDerWaalsContact O-N 3.09Å; T134-R140 CarbonylContact O-C 3.5Å; T134-R140 VanDerWaalsContact O-CA 3.26Å; T134-R140 WeakPolarHBondContact O-CA 3.5Å; T134-M141 PolarHBondContact O-N 3.09Å
135E88.5Confident90.2Very high156 Ų15666.6 Ų66.673%0.72934%0.34SS*.EExtended strand (participates in β ladder)trans-86122.7175.7-75.6-178.6177.800112K139 R140E135-K139 CarbonylContact C-O 3.57Å; E135-K139 WeakPolarHBondContact CA-O 3.41Å; E135-R140 HydrophobicContact CG-CG 3.58Å
136F83.5Confident89.8Confident36 Ų3665.1 Ų65.116%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-135.4121.1178.8-163.3-93000110.4C89 E93 K97 G138 K139 M141C89-F136 HydrophobicContact CB-CE1 4.38Å; C89-F136 VanDerWaalsContact SG-CE1 3.56Å; E93-F136 HydrophobicContact CB-CZ 4.07Å; K97-F136 HydrophobicContact CG-CD2 4.29Å; K97-F136 HydrophobicContact CG-CE2 3.74Å; F136-G138 PolarHBondContact O-N 3.31Å; F136-K139 PolarHBondContact N-O 3.41Å; F136-K139 PolarHBondContact O-N 2.96Å; F136-K139 VanDerWaalsContact O-O 3.12Å; F136-M141 HydrophobicContact CB-CE 3.51Å; F136-M141 HydrophobicContact CD1-CE 4.44Å; F136-M141 HydrophobicContact CD2-CE 3.97Å; F136-M141 HydrophobicContact CG-CE 3.7Å
137Q81.2Confident88.8Confident66 Ų6666.5 Ų66.531%0.30835%0.349SS..THydrogen-bonded Turntrans46.243.1-175.8-64.4-177.1-6.900113.8T88 E93 K139T88-Q137 PolarHBondContact O-NE2 2.85Å; T88-Q137 PolarHBondContact O-OE1 2.86Å; T88-Q137 PolarHBondContact OG1-OE1 2.86Å; E93-Q137 VanDerWaalsContact CD-NE2 3.27Å; E93-Q137 PolarHBondContact OE1-NE2 3.04Å; E93-Q137 PolarHBondContact OE2-NE2 3.02Å; Q137-K139 VanDerWaalsContact C-N 3.33Å; Q137-K139 PolarHBondContact O-N 2.83Å
138G83.4Confident87.4Confident81 Ų8169.1 Ų69.184%0.83537%0.367SS*.THydrogen-bonded Turntrans78.16.7177.300000116F136F136-G138 PolarHBondContact O-N 3.31Å
139K87.7Confident85.6Confident63 Ų6378.6 Ų78.627%0.27440%0.401SS..EExtended strand (participates in β ladder)trans-120.4153.6168.6-68.6-162.4-173.7179.40111.4N84 I85 E135 F136 Q137N84-K139 WeakPolarHBondContact O-CB 3.47Å; N84-K139 WeakPolarHBondContact O-CD 3.41Å; I85-K139 WeakPolarHBondContact O-CD 3.48Å; I85-K139 PolarHBondContact O-NZ 3.06Å; E135-K139 CarbonylContact C-O 3.57Å; E135-K139 WeakPolarHBondContact CA-O 3.41Å; F136-K139 PolarHBondContact N-O 3.41Å; F136-K139 PolarHBondContact O-N 2.96Å; F136-K139 VanDerWaalsContact O-O 3.12Å; Q137-K139 VanDerWaalsContact C-N 3.33Å; Q137-K139 PolarHBondContact O-N 2.83Å
140R90.7Very high83.8Confident116 Ų11673.2 Ų73.244%0.43839%0.386SS..EExtended strand (participates in β ladder)trans-89.1110.7172.3-64.5-177.372.8-112.2-5.6109.7N84 N133 T134 E135N84-R140 PolarHBondContact ND2-O 2.77Å; N133-R140 VanDerWaalsContact CB-NH2 3.26Å; N133-R140 PolarHBondContact O-NE 3.15Å; N133-R140 PolarHBondContact O-NH2 3.03Å; N133-R140 PolarHBondContact OD1-NH1 3.22Å; N133-R140 VanDerWaalsContact OD1-NH1 3.1Å; N133-R140 PolarHBondContact OD1-NH2 3.07Å; T134-R140 CarbonylContact O-C 3.5Å; T134-R140 VanDerWaalsContact O-CA 3.26Å; T134-R140 WeakPolarHBondContact O-CA 3.5Å; E135-R140 HydrophobicContact CG-CG 3.58Å
141M91.8Very high82Confident6 Ų676.3 Ų76.33%0.0339%0.389CS..  trans-75.4151.7179.376.8164.984.100111.1V82 G83 L94 L131 N133 T134 F136 V143V82-M141 HydrophobicContact CG1-CB 4.2Å; V82-M141 HydrophobicContact CG1-SD 3.94Å; G83-M141 WeakPolarHBondContact O-CA 3.47Å; L94-M141 HydrophobicContact CD1-CE 4.27Å; L131-M141 HydrophobicContact CB-SD 4.13Å; L131-M141 WeakPolarHBondContact O-CG 3.37Å; N133-M141 WeakPolarHBondContact CA-O 3.3Å; N133-M141 PolarHBondContact N-O 3.32Å; T134-M141 PolarHBondContact O-N 3.09Å; F136-M141 HydrophobicContact CB-CE 3.51Å; F136-M141 HydrophobicContact CD1-CE 4.44Å; F136-M141 HydrophobicContact CD2-CE 3.97Å; F136-M141 HydrophobicContact CG-CE 3.7Å; M141-V143 HydrophobicContact CG-CG2 4.03Å; M141-V143 HydrophobicContact SD-CG2 3.72Å
142H91.3Very high80.3Confident70 Ų7082.6 Ų82.632%0.32443%0.428SS..EExtended strand (participates in β ladder)trans-125.3107.2-176.8-167.982.7000110.5V82 G83 D132 Q144V82-H142 CarbonylContact C-O 3.58Å; V82-H142 WeakPolarHBondContact CA-O 3.39Å; G83-H142 PolarHBondContact N-O 2.78Å; G83-H142 PolarHBondContact O-N 2.9Å; D132-H142 VanDerWaalsContact OD1-CA 3.31Å; D132-H142 WeakPolarHBondContact OD1-CA 3.23Å; D132-H142 IonicContact OD1-CE1 2.65Å; D132-H142 IonicContact OD1-CG 2.97Å; D132-H142 IonicContact OD1-ND1 3.93Å; D132-H142 PolarHBondContact OD1-ND1 2.86Å; H142-Q144 PolarHBondContact NE2-NE2 2.78Å
143V93.7Very high78.6Confident2 Ų283 Ų831%0.01244%0.438CS..EExtended strand (participates in β ladder)trans-108.3121.9-166.7-172.90000110.4L80 V82 F98 I128 L131 D132 M141L80-V143 HydrophobicContact CD1-CG1 4.31Å; V82-V143 HydrophobicContact CG1-CG2 4.2Å; V82-V143 HydrophobicContact CG2-CG1 4.35Å; V82-V143 HydrophobicContact CG2-CG2 4.35Å; F98-V143 HydrophobicContact CE1-CG1 3.95Å; F98-V143 HydrophobicContact CZ-CG1 3.96Å; F98-V143 HydrophobicContact CZ-CG2 4.1Å; I128-V143 HydrophobicContact CB-CG1 4.46Å; I128-V143 HydrophobicContact CG1-CG1 3.89Å; L131-V143 HydrophobicContact CB-CG2 3.89Å; D132-V143 HydrophobicContact CB-CB 4.08Å; D132-V143 PolarHBondContact OD1-N 3.19Å; M141-V143 HydrophobicContact CG-CG2 4.03Å; M141-V143 HydrophobicContact SD-CG2 3.72Å
144Q91.2Very high76.8Confident98 Ų9883.3 Ų83.346%0.45844%0.444SS..EExtended strand (participates in β ladder)trans-138.3156.8-176.6-63.3-171.4-47.900112.3L80 H81 H142 S146L80-Q144 CarbonylContact C-O 3.6Å; L80-Q144 WeakPolarHBondContact CA-O 3.35Å; H81-Q144 PolarHBondContact N-O 2.85Å; H81-Q144 PolarHBondContact O-N 2.88Å; H142-Q144 PolarHBondContact NE2-NE2 2.78Å; Q144-S146 PolarHBondContact O-N 3.03Å
145L90.4Very high75.3Confident100 Ų10082.7 Ų82.752%0.52445%0.446SS..EExtended strand (participates in β ladder)trans-58128.6163.2-68173.8000109T78 L80 I128 T147T78-L145 HydrophobicContact CG2-CD2 3.5Å; L80-L145 HydrophobicContact CD2-CD2 4.21Å; I128-L145 HydrophobicContact CD1-CB 4.49Å; I128-L145 HydrophobicContact CD1-CD2 3.6Å; I128-L145 HydrophobicContact CD1-CG 3.61Å; L145-T147 PolarHBondContact O-N 2.77Å
146S84.4Confident73.7Confident24 Ų2481.7 Ų81.717%0.16844%0.443CS..  trans-69.3121.5-178.7-164.20000110.3K79 Q144 S148K79-S146 WeakPolarHBondContact O-CB 3.5Å; K79-S146 PolarHBondContact O-N 2.79Å; Q144-S146 PolarHBondContact O-N 3.03Å; S146-S148 PolarHBondContact O-N 3.44Å; S146-S148 WeakPolarHBondContact OG-CB 3.28Å
147T71Confident72.4Confident146 Ų14682.1 Ų82.190%0.89646%0.458SS*.  trans-71.5-2.6172560000112.9L145 R149L145-T147 PolarHBondContact O-N 2.77Å; T147-R149 PolarHBondContact O-N 3.12Å
148S64.3Low71.3Confident54 Ų5485.4 Ų85.438%0.37848%0.478SS..SBendtrans-69.1112.4172.6-1600000109.9S146 L150S146-S148 PolarHBondContact O-N 3.44Å; S146-S148 WeakPolarHBondContact OG-CB 3.28Å; S148-L150 PolarHBondContact O-N 2.89Å
149R56.8Low70.3Confident233 Ų23390 Ų9088%0.87948%0.478SS*.PPolyproline II helixtrans-55.1132.2174.2-72.2-177.2176.1170.3-1.5109.6T147 R151T147-R149 PolarHBondContact O-N 3.12Å; R149-R151 PolarHBondContact O-N 2.82Å; R149-R151 VanDerWaalsContact O-N 3.17Å
150L54.5Low69.3Low87 Ų8790.4 Ų90.446%0.45549%0.488SS..PPolyproline II helixtrans-50.1118.2-169.2-139.178.4000111.9K75 S148K75-L150 WeakPolarHBondContact O-CD2 3.42Å; S148-L150 PolarHBondContact O-N 2.89Å
151R53.6Low68.2Low94 Ų9485.7 Ų85.736%0.35548%0.476SS..PPolyproline II helixtrans-73.4127.1167.7-71.9-164.2-91.9114.8-20.1108.1R149 A153 G155R149-R151 PolarHBondContact O-N 2.82Å; R149-R151 VanDerWaalsContact O-N 3.17Å; R151-A153 WeakPolarHBondContact CB-O 3.42Å; R151-A153 PolarHBondContact NH1-O 2.83Å; R151-A153 PolarHBondContact O-N 3.34Å; R151-G155 PolarHBondContact NH1-O 3.25Å
152T57Low67.2Low138 Ų13885.5 Ų85.585%0.84748%0.475SS*.SBendtrans-65.3-9.3178.6-39.10000113.2
153A54.5Low66.1Low58 Ų5888.8 Ų88.848%0.47949%0.485SS..SBendtrans-131.4134.617200000111.4R151R151-A153 WeakPolarHBondContact CB-O 3.42Å; R151-A153 PolarHBondContact NH1-O 2.83Å; R151-A153 PolarHBondContact O-N 3.34Å
154P53Low64.8Low76 Ų7696.5 Ų96.549%0.49451%0.514SS..  trans-66.6171.1162.229.4-33.3000111.5E106E106-P154 VanDerWaalsContact OE1-CB 3.31Å; E106-P154 WeakPolarHBondContact OE1-CB 3.42Å; E106-P154 WeakPolarHBondContact OE2-CB 3.5Å
155G59.1Low64Low32 Ų3293.8 Ų93.833%0.3351%0.506SS..SBendtrans93160.1-174.900000115.7E106 R151E106-G155 PolarHBondContact OE1-N 3.14Å; R151-G155 PolarHBondContact NH1-O 3.25Å
156M55.6Low63Low135 Ų13592.5 Ų92.567%0.66552%0.516SS*.  trans-92.499.8-179.2-169.281.175.300110.3V110V110-M156 HydrophobicContact CG2-CE 4.03Å
157G56.2Low62.3Low46 Ų4698.3 Ų98.347%0.47454%0.539SS..  trans-66.9158.817600000113.2
158D57.3Low62.5Low135 Ų13598.8 Ų98.872%0.72253%0.531SS*.  trans-57.2143.8-168.6-56.2-82.7000114.5S160 G161D158-S160 PolarHBondContact O-N 3.3Å; D158-G161 PolarHBondContact O-N 3.29Å
159Q61.8Low62.9Low178 Ų17899.9 Ų99.983%0.83255%0.551SS**THydrogen-bonded Turntrans-64.8-9.1-168.9-62177.1-6.600114.5
160S66.5Low64Low71 Ų7190.4 Ų90.450%0.49752%0.516SS..THydrogen-bonded Turntrans-95-4.8178.1520000114.5D158D158-S160 PolarHBondContact O-N 3.3Å
161G67.6Low64.8Low17 Ų1793.9 Ų93.918%0.17552%0.523CS..BIsolated β-bridgetrans-88.2146.2-173.400000115.8D158 Y163D158-G161 PolarHBondContact O-N 3.29Å; G161-Y163 PolarHBondContact O-N 3.44Å
162C72.5Confident65.9Low1 Ų190.8 Ų90.81%0.00752%0.516CS..  trans-76.4103.9168.1179.20000110.9R164 C165 G166 K167 H170C162-R164 PolarHBondContact O-N 3.22Å; C162-C165 PolarHBondContact O-N 3.08Å; C162-C165 VanDerWaalsContact SG-SG 3.69Å; C162-G166 WeakPolarHBondContact O-CA 3.34Å; C162-G166 PolarHBondContact O-N 2.68Å; C162-K167 WeakPolarHBondContact CB-O 3.48Å; C162-K167 PolarHBondContact N-O 2.92Å; C162-H170 WeakPolarHBondContact CA-O 3.39Å; C162-H170 VanDerWaalsContact CB-NE2 3.32Å; C162-H170 WeakPolarHBondContact CB-NE2 3.28Å; C162-H170 VanDerWaalsContact CB-O 3.31Å; C162-H170 WeakPolarHBondContact CB-O 3.44Å; C162-H170 PolarHBondContact N-O 3.25Å; C162-H170 PolarHBondContact SG-NE2 3.4Å
163Y66.9Low66.5Low140 Ų14093.8 Ų93.855%0.54952%0.517SS..THydrogen-bonded Turntrans-61.2-1.2177.4-43.7-84000115.3G161 S172G161-Y163 PolarHBondContact O-N 3.44Å; Y163-S172 WeakPolarHBondContact CA-OG 3.47Å; Y163-S172 WeakPolarHBondContact CB-OG 3.33Å; Y163-S172 WeakPolarHBondContact CD2-OG 3.39Å; Y163-S172 PolarHBondContact N-OG 2.9Å
164R67.6Low67.2Low163 Ų16397 Ų9762%0.61552%0.522SS*.THydrogen-bonded Turntrans-103-29.6174.5-84.1-172163.4-174.4-12.2115.3C162 S172 C175 D178C162-R164 PolarHBondContact O-N 3.22Å; R164-S172 PolarHBondContact N-OG 3.29Å; R164-C175 HydrophobicContact CB-CB 4.29Å; R164-D178 WeakPolarHBondContact CD-OD2 3.43Å; R164-D178 IonicContact CZ-OD1 2.96Å; R164-D178 IonicContact CZ-OD2 3.87Å; R164-D178 IonicContact NE-OD2 3.31Å; R164-D178 IonicContact NH1-OD1 3.28Å; R164-D178 PolarHBondContact NH1-OD1 3.38Å; R164-D178 IonicContact NH1-OD2 2.92Å; R164-D178 PolarHBondContact NH1-OD2 2.77Å
165C73.1Confident68.1Low41 Ų4193.5 Ų93.528%0.27750%0.5SS..THydrogen-bonded Turntrans-127.3-2.3-179.374.50000114.8C162 K167 H170 V177C162-C165 PolarHBondContact O-N 3.08Å; C162-C165 VanDerWaalsContact SG-SG 3.69Å; C165-K167 PolarHBondContact O-N 3.04Å; C165-H170 VanDerWaalsContact SG-CE1 3.5Å; C165-H170 PolarHBondContact SG-NE2 2.99Å; C165-V177 HydrophobicContact CB-CG2 3.74Å
166G70.5Confident68.8Low73 Ų7395.3 Ų95.375%0.75351%0.506SS*.  trans74.2-2.2178.300000115.2C162C162-G166 WeakPolarHBondContact O-CA 3.34Å; C162-G166 PolarHBondContact O-N 2.68Å
167K68.7Low69.4Low147 Ų14793 Ų9364%0.63950%0.499SS*.  trans-83144.3176.1-58.6-177.8179.1-173.60110.9C162 C165C162-K167 WeakPolarHBondContact CB-O 3.48Å; C162-K167 PolarHBondContact N-O 2.92Å; C165-K167 PolarHBondContact O-N 3.04Å
168E75.1Confident69.5Low156 Ų15694.6 Ų94.673%0.72950%0.497SS*.BIsolated β-bridgetrans-71.3176167.564.7-165.914600112.5H170E168-H170 PolarHBondContact O-N 3.09Å; E168-H170 PolarHBondContact O-ND1 3.42Å
169G74.2Confident69.6Low77 Ų7798.5 Ų98.579%0.79450%0.502SS*.SBendtrans82.23.1169.900000116.4
170H78.5Confident69.4Low33 Ų3395.5 Ų95.515%0.15350%0.495CS..SBendtrans-159157.2169.864.8-73.5000111.5C162 C165 E168 E174 P176C162-H170 WeakPolarHBondContact CA-O 3.39Å; C162-H170 VanDerWaalsContact CB-NE2 3.32Å; C162-H170 WeakPolarHBondContact CB-NE2 3.28Å; C162-H170 VanDerWaalsContact CB-O 3.31Å; C162-H170 WeakPolarHBondContact CB-O 3.44Å; C162-H170 PolarHBondContact N-O 3.25Å; C162-H170 PolarHBondContact SG-NE2 3.4Å; C165-H170 VanDerWaalsContact SG-CE1 3.5Å; C165-H170 PolarHBondContact SG-NE2 2.99Å; E168-H170 PolarHBondContact O-N 3.09Å; E168-H170 PolarHBondContact O-ND1 3.42Å; H170-E174 HydrophobicContact CB-CB 4.47Å; H170-P176 VanDerWaalsContact NE2-CD 3.26Å; H170-P176 WeakPolarHBondContact NE2-CD 3.05Å
171W72.7Confident68.6Low160 Ų16095.4 Ų95.461%0.60651%0.505SS*.  trans-90.2160.7174.1-70.8-15.3000112.2K173 E174 C175W171-K173 PolarHBondContact O-N 3.16Å; W171-E174 PolarHBondContact O-N 3.23Å; W171-C175 PolarHBondContact O-N 2.83Å
172S75.8Confident67.6Low29 Ų29105 Ų10520%0.20354%0.537CS..THydrogen-bonded Turntrans-57.6-17.2-178-60.70000115.8Y163 R164 E174Y163-S172 WeakPolarHBondContact CA-OG 3.47Å; Y163-S172 WeakPolarHBondContact CB-OG 3.33Å; Y163-S172 WeakPolarHBondContact CD2-OG 3.39Å; Y163-S172 PolarHBondContact N-OG 2.9Å; R164-S172 PolarHBondContact N-OG 3.29Å; S172-E174 VanDerWaalsContact C-N 3.34Å
173K70.2Confident66.2Low201 Ų201111.3 Ų111.387%0.87458%0.575SS**THydrogen-bonded Turntrans-75.6-23.4174.4-65-175.1178.3-178.20112.8W171W171-K173 PolarHBondContact O-N 3.16Å
174E68Low64.8Low125 Ų125109 Ų10958%0.58458%0.584SS**SBendtrans-109.711.6-176.5-69.5147.2-124.500111.9H170 W171 S172 P176H170-E174 HydrophobicContact CB-CB 4.47Å; W171-E174 PolarHBondContact O-N 3.23Å; S172-E174 VanDerWaalsContact C-N 3.34Å; E174-P176 VanDerWaalsContact O-CD 3.24Å; E174-P176 WeakPolarHBondContact O-CD 3.31Å; E174-P176 VanDerWaalsContact O-N 3.16Å
175C72.8Confident63.6Low4 Ų4108.3 Ų108.33%0.02759%0.593CS.*  trans-55.5115.5-175.9-171.20000112.1R164 W171 V177 D178R164-C175 HydrophobicContact CB-CB 4.29Å; W171-C175 PolarHBondContact O-N 2.83Å; C175-V177 PolarHBondContact O-N 3.31Å; C175-V177 VanDerWaalsContact O-N 3.12Å; C175-D178 WeakPolarHBondContact CB-OD2 3.28Å; C175-D178 PolarHBondContact O-N 2.98Å; C175-D178 VanDerWaalsContact O-N 3.08Å
176P73.2Confident61.9Low69 Ų69115.7 Ų115.745%0.44862%0.62SS.*Hα-helixtrans-58.4-29.8178.8-26.836000112.7H170 E174 D178 R179 T180H170-P176 VanDerWaalsContact NE2-CD 3.26Å; H170-P176 WeakPolarHBondContact NE2-CD 3.05Å; E174-P176 VanDerWaalsContact O-CD 3.24Å; E174-P176 WeakPolarHBondContact O-CD 3.31Å; E174-P176 VanDerWaalsContact O-N 3.16Å; P176-D178 PolarHBondContact O-N 3.25Å; P176-R179 PolarHBondContact O-N 2.99Å; P176-T180 PolarHBondContact O-N 3.23Å; P176-T180 PolarHBondContact O-OG1 2.82Å
177V68Low60.7Low86 Ų86118.6 Ų118.652%0.52162%0.624SS.*Hα-helixtrans-61-31.9179.6-172.40000112.3C165 C175 T180 G181C165-V177 HydrophobicContact CB-CG2 3.74Å; C175-V177 PolarHBondContact O-N 3.31Å; C175-V177 VanDerWaalsContact O-N 3.12Å; V177-T180 WeakPolarHBondContact CA-OG1 3.43Å; V177-T180 PolarHBondContact O-OG1 3.43Å; V177-T180 VanDerWaalsContact O-OG1 3.12Å; V177-G181 PolarHBondContact O-N 2.79Å
178D59.2Low59.2Low80 Ų80120.9 Ų120.943%0.42864%0.637SS.*Hα-helixtrans-76.1-35.3173.9-74-85.2000112.4R164 C175 P176 G181R164-D178 WeakPolarHBondContact CD-OD2 3.43Å; R164-D178 IonicContact CZ-OD1 2.96Å; R164-D178 IonicContact CZ-OD2 3.87Å; R164-D178 IonicContact NE-OD2 3.31Å; R164-D178 IonicContact NH1-OD1 3.28Å; R164-D178 PolarHBondContact NH1-OD1 3.38Å; R164-D178 IonicContact NH1-OD2 2.92Å; R164-D178 PolarHBondContact NH1-OD2 2.77Å; C175-D178 WeakPolarHBondContact CB-OD2 3.28Å; C175-D178 PolarHBondContact O-N 2.98Å; C175-D178 VanDerWaalsContact O-N 3.08Å; P176-D178 PolarHBondContact O-N 3.25Å; D178-G181 PolarHBondContact O-N 2.97Å
179R58.7Low57.6Low218 Ų218121.8 Ų121.882%0.82364%0.641SS**Hα-helixtrans-66.6-45173.9-90.1-172.5168.9-164.9-3111.5P176 G181 R182P176-R179 PolarHBondContact O-N 2.99Å; R179-G181 PolarHBondContact O-N 2.87Å; R179-G181 VanDerWaalsContact O-N 3.11Å; R179-R182 PolarHBondContact O-N 3.15Å
180T58.1Low55.6Low114 Ų114128.8 Ų128.870%0.69965%0.645SS**THydrogen-bonded Turntrans-67.5-7.2176.853.30000113.9P176 V177 R182P176-T180 PolarHBondContact O-N 3.23Å; P176-T180 PolarHBondContact O-OG1 2.82Å; V177-T180 WeakPolarHBondContact CA-OG1 3.43Å; V177-T180 PolarHBondContact O-OG1 3.43Å; V177-T180 VanDerWaalsContact O-OG1 3.12Å; T180-R182 VanDerWaalsContact C-N 3.34Å
181G49.8Very low53.8Low69 Ų69134.5 Ų134.571%0.71168%0.677SS**THydrogen-bonded Turntrans-79.8-9.1173.400000114.6V177 D178 R179V177-G181 PolarHBondContact O-N 2.79Å; D178-G181 PolarHBondContact O-N 2.97Å; R179-G181 PolarHBondContact O-N 2.87Å; R179-G181 VanDerWaalsContact O-N 3.11Å
182R46.7Very low52.3Low220 Ų220136.4 Ų136.483%0.8369%0.692SS**SBendtrans-112.3133.6168.1-149.7-168.5-68-163.33.9109.1R179 T180R179-R182 PolarHBondContact O-N 3.15Å; T180-R182 VanDerWaalsContact C-N 3.34Å
183V43.2Very low50.8Low133 Ų133142.4 Ų142.481%0.80672%0.717SS**  trans-50.3138.7-175.3-179.20000111.4D185V183-D185 PolarHBondContact O-N 2.91Å; V183-D185 VanDerWaalsContact O-N 3.11Å
184A36Very low49.2Very low90 Ų90143.3 Ų143.374%0.74472%0.717SS**  trans-68.4102.8168.100000109
185D42.6Very low47.7Very low149 Ų149141 Ų14180%0.79773%0.726SS**  trans-92.5145173.3-150.2-20.5000109.7V183 T187V183-D185 PolarHBondContact O-N 2.91Å; V183-D185 VanDerWaalsContact O-N 3.11Å; D185-T187 PolarHBondContact O-N 3.02Å
186F38Very low46.1Very low196 Ų196145.8 Ų145.886%0.8677%0.766SS**  trans-83.1111.4-162.9-88.8-120.4000112.1
187T44.5Very low44.4Very low134 Ų134149.2 Ų149.282%0.82279%0.786SS**  trans-151.541164.2-29.70000114.7D185D185-T187 PolarHBondContact O-N 3.02Å
188E39.1Very low42.8Very low196 Ų196156.4 Ų156.492%0.91680%0.803SS**  trans-11175.8163.2-78.2-161.6130.600111.2
189Q39.7Very low42.1Very low174 Ų174159.1 Ų159.181%0.81382%0.823SS**SBendtrans-168.2153.8155.2-114.9169.2-5.300111.1
190Y33Very low41.1Very low225 Ų225153.5 Ų153.588%0.88282%0.815SS**  trans57.583.8177.1-78.2-90.4000117.5
191N40.7Very low40.2Very low153 Ų153158.4 Ų158.482%0.81882%0.822SS**  -15850.8121-154.610.9000114.9
192E41Very low39.8Very low199 Ų199161.1 Ų161.193%0.9383%0.825SS**  trans-101.674.3164.6-80-160.9103.200111
193Q43.7Very low39.4Very low156 Ų156159 Ų15973%0.72983%0.826SS**  trans-156.5137.1159.6-135.2169.4-127.500113.4
194Y37.6Very low39.3Very low220 Ų220156.3 Ų156.386%0.86383%0.826SS**  trans69.6128.9175-70.3-84.9000119.8
195G36.7Very low39.3Very low76 Ų76163.4 Ų163.478%0.78484%0.835SS**  112.465.1123.600000117.7
196A38.1Very low39.1Very low105 Ų105159.9 Ų159.987%0.86883%0.834SS**  trans-70.9131.5171.500000113.1
197V37.1Very low38.9Very low141 Ų141159.5 Ų159.586%0.85584%0.835SS**  trans-137.2137.9151.6-177.40000108.5
198R35.4Very low38.4Very low237 Ų237157.9 Ų157.989%0.89483%0.829SS**  trans-108.7138176.3-78.7173.6139.4-1420.5111
199T44.2Very low38.4Very low136 Ų136156.6 Ų156.683%0.83483%0.825SS**  trans-148.5134.3145.837.10000110.3
200P37.6Very low38.4Very low101 Ų101157.9 Ų157.966%0.65682%0.824SS**  trans-103-162.6173.538.4-30.6000112.2
201Y38.7Very low38.5Very low217 Ų217156.6 Ų156.685%0.85182%0.819SS**  trans84.1138.3177.3-64.6-70.2000115.6
202T41.4Very low38.4Very low125 Ų125155.8 Ų155.877%0.76782%0.815SS**  cis-149.3163.2-3-69.70000110.3
203M40.2Very low38.1Very low175 Ų175153.9 Ų153.986%0.86281%0.811SS**  trans-70.7157.4171.2-77.6-172.7172.100114.6
204G40.2Very low38Very low78 Ų78150.8 Ų150.880%0.80481%0.812SS**  trans-142.7148.516200000110.8
205Y36.5Very low38.1Very low238 Ų238151.3 Ų151.393%0.93381%0.814SS**  trans-118152.2-175.2-116.9-99.6000111
206G38.4Very low38.3Very low75 Ų75151 Ų15177%0.77381%0.811SS**  trans95.1153.1-175.300000112.4
207E34Very low38.2Very low189 Ų189151.3 Ų151.388%0.88381%0.813SS**  cis-147.4165.15-171.2173.3173.800109.9
208S33.8Very low38.4Very low99 Ų99152.6 Ų152.669%0.69281%0.814SS**  trans-105.8116.2-173.1165.40000113
209M38.4Very low38.6Very low169 Ų169146.8 Ų146.883%0.83380%0.801SS**  trans-141.6159.6167.6-84.6-60.5157.100114
210Y39.6Very low38.4Very low202 Ų202149.1 Ų149.179%0.79280%0.796SS**  trans-86.7163.4-171.3-89.7-126.3000114.6
211Y36.1Very low38.8Very low197 Ų197153.6 Ų153.677%0.77380%0.801SS**  trans55.9117.4156.1-87.9-69000117.7
212N37.1Very low39.2Very low137 Ų137152 Ų15273%0.73380%0.798SS**  -173.4168.365.9-112.1-56.5000113.3
213D35.3Very low39.3Very low158 Ų158157.1 Ų157.185%0.84580%0.804SS**  trans-67.5141.4173.5-84.5-85000114.3
214A40.8Very low39.3Very low91 Ų91157.9 Ų157.975%0.75280%0.798SS**  trans-153.429.7178.400000115.9
215Y41.3Very low39.4Very low232 Ų232164.9 Ų164.991%0.9180%0.8SS**SBendtrans-139.2105.6174.8-108-78.1000116.5
216G39.9Very low39.6Very low69 Ų69160.1 Ų160.171%0.71180%0.796SS**  trans66.679.713700000118.7L218G216-L218 PolarHBondContact O-N 2.94Å
217A37.2Very low39.7Very low112 Ų112164.4 Ų164.493%0.92679%0.789SS**  trans-61.6120.8164.800000111.5
218L40.1Very low40.5Very low168 Ų168158.4 Ų158.488%0.8877%0.768SS**  trans-135.4112.6174.4-126.8170.8000110.2G216 Y220G216-L218 PolarHBondContact O-N 2.94Å; L218-Y220 PolarHBondContact O-N 3.19Å
219D39.6Very low41.3Very low115 Ų115163.2 Ų163.262%0.61577%0.772SS**  trans-72106.7-160.5-166-27000113.6Y221 K222D219-Y221 PolarHBondContact O-N 3.43Å; D219-Y221 PolarHBondContact OD1-N 3.04Å; D219-Y221 VanDerWaalsContact OD1-N 3.14Å; D219-K222 PolarHBondContact O-N 3.1Å
220Y41.2Very low42.1Very low184 Ų184162 Ų16272%0.72277%0.765SS**G310 helixtrans-62.3-26.9-176.1-170-102.5000113.5L218 K222L218-Y220 PolarHBondContact O-N 3.19Å; Y220-K222 VanDerWaalsContact C-N 3.27Å; Y220-K222 PolarHBondContact O-N 2.85Å
221Y45.6Very low43Very low196 Ų196154.1 Ų154.177%0.76974%0.741SS**G310 helixtrans-75.9-10.6-174-91.9-89.3000114.3D219 R223D219-Y221 PolarHBondContact O-N 3.43Å; D219-Y221 PolarHBondContact OD1-N 3.04Å; D219-Y221 VanDerWaalsContact OD1-N 3.14Å; Y221-R223 VanDerWaalsContact C-N 3.32Å; Y221-R223 PolarHBondContact O-N 3.05Å
222K46.2Very low44Very low182 Ų182148.5 Ų148.579%0.79173%0.727SS**G310 helixtrans-75.8-11.2-173.7-135169.3-171.8171.90115.2D219 Y220D219-K222 PolarHBondContact O-N 3.1Å; Y220-K222 VanDerWaalsContact C-N 3.27Å; Y220-K222 PolarHBondContact O-N 2.85Å
223R43.8Very low44.9Very low234 Ų234144.4 Ų144.488%0.88371%0.712SS**G310 helixtrans-85.7-20.7178.7-87.4-174.6176.5156.61.6115.6Y221Y221-R223 VanDerWaalsContact C-N 3.32Å; Y221-R223 PolarHBondContact O-N 3.05Å
224Y40.4Very low46Very low190 Ų190140 Ų14075%0.74570%0.697SS**  trans-99.112.4-174.8-76.8-82.4000114.3V226Y224-V226 PolarHBondContact O-N 2.79Å
225R42.1Very low46.9Very low225 Ų225137.6 Ų137.685%0.84968%0.678SS**SBendtrans-74.7115.8173.1-155.2176.6-166.4106.6-1.4109.3R227R225-R227 PolarHBondContact O-N 3.19Å; R225-R227 VanDerWaalsContact O-N 3.15Å
226V40.6Very low47.7Very low139 Ų139129.2 Ų129.284%0.84266%0.657SS**PPolyproline II helixtrans-49117-176.7179.60000111Y224Y224-V226 PolarHBondContact O-N 2.79Å
227R40.5Very low48.6Very low164 Ų164128.4 Ų128.462%0.61964%0.643SS**PPolyproline II helixtrans-67.9132.5167.9-92.9-179.4154.4-162.3-8.6108.9R225 A231 V232R225-R227 PolarHBondContact O-N 3.19Å; R225-R227 VanDerWaalsContact O-N 3.15Å; R227-A231 HydrophobicContact CG-CB 4.41Å; R227-V232 HydrophobicContact CB-CG2 4.15Å
228S50.9Low49.6Very low64 Ų64125.6 Ų125.645%0.44862%0.62SS.*PPolyproline II helixtrans-63.5152.4167.856.90000110.6E230 A231 V232S228-E230 PolarHBondContact O-N 2.87Å; S228-A231 PolarHBondContact O-N 2.77Å; S228-V232 PolarHBondContact O-N 3.45Å
229Y50.7Low50.4Low200 Ų200121.2 Ų121.278%0.78460%0.604SS**Hα-helixtrans-46.4-44175.8160.7-102.9000112.7A231 V232 A233Y229-A231 PolarHBondContact O-N 2.62Å; Y229-V232 PolarHBondContact O-N 2.75Å; Y229-V232 VanDerWaalsContact O-N 3.16Å; Y229-A233 PolarHBondContact O-N 3.06Å
230E55.1Low51.1Low143 Ų143118.9 Ų118.967%0.66860%0.6SS**Hα-helixtrans-61.5-39.9179.5-59.3164138.900112.8S228 V232 A233 A234S228-E230 PolarHBondContact O-N 2.87Å; E230-V232 PolarHBondContact O-N 3.19Å; E230-A233 PolarHBondContact O-N 3.17Å; E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 3.3Å
231A57.9Low51.7Low36 Ų36118.8 Ų118.830%0.29860%0.6SS.*Hα-helixtrans-72.6-16.1179.500000113.4R227 S228 Y229R227-A231 HydrophobicContact CG-CB 4.41Å; S228-A231 PolarHBondContact O-N 2.77Å; Y229-A231 PolarHBondContact O-N 2.62Å
232V58.8Low52.1Low80 Ų80114.1 Ų114.149%0.48559%0.588SS.*Hα-helixtrans-86.7-43.7170.5-176.20000110.1R227 S228 Y229 E230 A234 A235 A236R227-V232 HydrophobicContact CB-CG2 4.15Å; S228-V232 PolarHBondContact O-N 3.45Å; Y229-V232 PolarHBondContact O-N 2.75Å; Y229-V232 VanDerWaalsContact O-N 3.16Å; E230-V232 PolarHBondContact O-N 3.19Å; V232-A234 PolarHBondContact O-N 3.23Å; V232-A235 PolarHBondContact O-N 3.41Å; V232-A236 PolarHBondContact O-N 2.94Å
233A56.1Low52.2Low50 Ų50114.2 Ų114.241%0.41359%0.585SS.*Hα-helixtrans-60.1-45.1176.300000112.6Y229 E230 A235 A236 A237Y229-A233 PolarHBondContact O-N 3.06Å; E230-A233 PolarHBondContact O-N 3.17Å; A233-A235 VanDerWaalsContact C-N 3.32Å; A233-A235 PolarHBondContact O-N 2.83Å; A233-A236 PolarHBondContact O-N 2.89Å; A233-A237 PolarHBondContact O-N 3.45Å
234A58.4Low52.4Low65 Ų65106 Ų10654%0.53757%0.567SS.*Hα-helixtrans-62.4-37.1176.900000112.7E230 V232 A238E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 3.3Å; V232-A234 PolarHBondContact O-N 3.23Å; A234-A238 WeakPolarHBondContact O-CB 3.26Å; A234-A238 PolarHBondContact O-N 3.24Å
235A58.3Low52.7Low41 Ų41104.5 Ų104.534%0.33957%0.567SS.*Hα-helixtrans-68.3-40.917600000111.9V232 A233 A238 S239V232-A235 PolarHBondContact O-N 3.41Å; A233-A235 VanDerWaalsContact C-N 3.32Å; A233-A235 PolarHBondContact O-N 2.83Å; A235-A238 PolarHBondContact O-N 2.89Å; A235-S239 PolarHBondContact O-N 3.33Å; A235-S239 VanDerWaalsContact O-N 3.11Å; A235-S239 PolarHBondContact O-OG 2.89Å
236A58.1Low53.2Low57 Ų57101 Ų10147%0.47156%0.56SS.*Hα-helixtrans-63.9-42.8175.900000112.1V232 A233 S239 A240V232-A236 PolarHBondContact O-N 2.94Å; A233-A236 PolarHBondContact O-N 2.89Å; A236-S239 WeakPolarHBondContact CA-OG 3.14Å; A236-S239 PolarHBondContact O-N 2.99Å; A236-S239 PolarHBondContact O-OG 3.12Å; A236-A240 PolarHBondContact O-N 2.68Å
237A58.3Low53.5Low51 Ų5199 Ų9942%0.42155%0.548SS..Hα-helixtrans-61.8-43.7175.300000112.1A233 S239 A240 Y241A233-A237 PolarHBondContact O-N 3.45Å; A237-S239 VanDerWaalsContact C-N 3.34Å; A237-S239 PolarHBondContact O-N 3.46Å; A237-A240 PolarHBondContact O-N 3.1Å; A237-A240 VanDerWaalsContact O-N 3.17Å; A237-Y241 PolarHBondContact O-N 3.43Å
238A58.2Low53.5Low54 Ų5499 Ų9945%0.44656%0.557SS.*Hα-helixtrans-62.6-37.3176.800000112.9A234 A235 N242A234-A238 WeakPolarHBondContact O-CB 3.26Å; A234-A238 PolarHBondContact O-N 3.24Å; A235-A238 PolarHBondContact O-N 2.89Å; A238-N242 PolarHBondContact O-ND2 3.42Å
239S58.1Low53Low76 Ų76100 Ų10053%0.53156%0.564SS.*Hα-helixtrans-70-31.9173.448.30000113.6A235 A236 A237 Y243A235-S239 PolarHBondContact O-N 3.33Å; A235-S239 VanDerWaalsContact O-N 3.11Å; A235-S239 PolarHBondContact O-OG 2.89Å; A236-S239 WeakPolarHBondContact CA-OG 3.14Å; A236-S239 PolarHBondContact O-N 2.99Å; A236-S239 PolarHBondContact O-OG 3.12Å; A237-S239 VanDerWaalsContact C-N 3.34Å; A237-S239 PolarHBondContact O-N 3.46Å; S239-Y243 PolarHBondContact O-N 2.73Å
240A54.6Low52.5Low65 Ų6599.3 Ų99.354%0.53757%0.568SS.*Hα-helixtrans-67.2-40.7-179.600000112.5A236 A237A236-A240 PolarHBondContact O-N 2.68Å; A237-A240 PolarHBondContact O-N 3.1Å; A237-A240 VanDerWaalsContact O-N 3.17Å
241Y53.6Low51.8Low182 Ų182100.6 Ų100.671%0.71458%0.578SS**Hα-helixtrans-67-42.2177.8-88.5-86.3000113A237 Y243 A244A237-Y241 PolarHBondContact O-N 3.43Å; Y241-Y243 VanDerWaalsContact C-N 3.26Å; Y241-Y243 PolarHBondContact O-N 2.68Å; Y241-A244 PolarHBondContact O-N 3.41Å; Y241-A244 VanDerWaalsContact O-N 3.14Å
242N53.9Low51Low98 Ų98104.7 Ų104.752%0.52460%0.602SS.*Hα-helixtrans-64.9-27.8-178-80.8-93.2000113.4A238A238-N242 PolarHBondContact O-ND2 3.42Å
243Y47.6Very low50.1Low184 Ų184109.6 Ų109.672%0.72262%0.62SS**Hα-helixtrans-78.8-19.1178.1-148.7-98000113.2S239 Y241S239-Y243 PolarHBondContact O-N 2.73Å; Y241-Y243 VanDerWaalsContact C-N 3.26Å; Y241-Y243 PolarHBondContact O-N 2.68Å
244A48.6Very low49.7Very low62 Ų62114.1 Ų114.151%0.51264%0.642SS.*Hα-helixtrans-81.2-35.7-179.400000113.1Y241Y241-A244 PolarHBondContact O-N 3.41Å; Y241-A244 VanDerWaalsContact O-N 3.14Å
245E47.2Very low48.7Very low158 Ų158119.3 Ų119.374%0.73866%0.655SS**Hα-helixtrans-79.3-28.1-179.3-68.7-172.610100113.3T247E245-T247 VanDerWaalsContact C-N 3.27Å; E245-T247 PolarHBondContact O-N 2.78Å
246Q50.9Low48Very low153 Ų153123 Ų12372%0.71568%0.678SS**THydrogen-bonded Turntrans-82.39.9-173.5-66.9-172.2-7.200115.3
247T46.8Very low47.4Very low95 Ų95126 Ų12658%0.58369%0.691SS**THydrogen-bonded Turntrans-124.19.3-177.452.90000114.7E245E245-T247 VanDerWaalsContact C-N 3.27Å; E245-T247 PolarHBondContact O-N 2.78Å
248M42.1Very low46.9Very low166 Ų166129.3 Ų129.382%0.81871%0.706SS**SBendtrans-111.219.9-173.6-79.9-71.5153.600115.1
249S40.4Very low46.3Very low85 Ų85133.1 Ų133.159%0.59472%0.723SS**  trans-129.8144.9179.352.50000113
250H39.5Very low45.5Very low185 Ų185135.7 Ų135.786%0.85674%0.736SS**  trans72.278.2178.8-53.8-77.1000118
251L40.6Very low45Very low170 Ų170136.4 Ų136.489%0.8974%0.737SS**  trans-120.3132.1150.1-87.4169000109.9
252P41.9Very low44.5Very low122 Ų122135 Ų13579%0.79274%0.737SS**  trans-73.8146.7178.4-16.531.3000113.1
253Q39Very low44.2Very low183 Ų183137.4 Ų137.486%0.85575%0.749SS**  trans-80130.8173.9-66.5-178.9-3800111.9
254V47.2Very low43.8Very low145 Ų145135.8 Ų135.888%0.87975%0.753SS**  trans-132.9133.9153.9-177.60000107.6
255Q38.3Very low43.2Very low173 Ų173138.2 Ų138.281%0.80877%0.766SS**  trans-94.2138.4-174.6-63.7172.9-17.100111.3
256S43.1Very low43.2Very low118 Ų118137.4 Ų137.483%0.82577%0.772SS**  trans-164.5124.7137.5-121.10000113.4
257T45.2Very low42.7Very low121 Ų121136 Ų13674%0.74278%0.778SS**  trans-54.1156.6156.345.10000111.4
258T47.9Very low43Very low120 Ų120138 Ų13874%0.73679%0.791SS**  cis-167.51583.918.90000105.8
259V45.9Very low43.4Very low134 Ų134135.9 Ų135.981%0.81278%0.783SS**  -164.5169.464.9-780000111.6
260T41.4Very low43.7Very low130 Ų130137.7 Ų137.780%0.79879%0.792SS**  trans-69173.316950.50000112.1
261S44.6Very low44Very low80 Ų80138.7 Ų138.756%0.55979%0.79SS**  cis-163.9176.131.641.40000114.8
262H43.2Very low44.3Very low153 Ų153136.5 Ų136.571%0.70878%0.779SS**  trans86.9104.5166.9-47-61.4000116.7
263L46.7Very low44.5Very low148 Ų148141.9 Ų141.978%0.77578%0.784SS**  70.9130.682.7-64.3165.9000112.3
264N40.1Very low44.8Very low151 Ų151140.9 Ų140.981%0.80778%0.779SS**  cis-146.5160.816.8-119.7-11.9000112.5
265S34.8Very low44.6Very low113 Ų113141.9 Ų141.979%0.7978%0.778SS**  trans-96.5141.5-175.3-540000115
266T47.1Very low45.1Very low141 Ų141141.5 Ų141.587%0.86578%0.781SS**  trans-154.7116.2140.312.20000109.9
267S40.4Very low45.3Very low122 Ų122141.2 Ų141.285%0.85378%0.776SS**  trans-86.6135.1174.951.10000111
268V54.2Low44.9Very low139 Ų139143.4 Ų143.484%0.84278%0.783SS**  trans-114.5134.5170.7-179.70000108.9
269D49.2Very low44.7Very low121 Ų121143.1 Ų143.165%0.64779%0.786SS**  trans-84132.2-167.3-154.5-40.4000111.7Y271D269-Y271 PolarHBondContact O-N 3.09Å
270P48.2Very low44.6Very low122 Ų122140.2 Ų140.279%0.79278%0.784SS**THydrogen-bonded Turntrans-67.44.9-173.2-23.935.7000117.5
271Y44.7Very low44.5Very low206 Ų206139.2 Ų139.281%0.80879%0.789SS**THydrogen-bonded Turntrans-116.80.6-169.4-81.2-77.7000116.4D269 R273D269-Y271 PolarHBondContact O-N 3.09Å; Y271-R273 PolarHBondContact O-N 3.38Å
272D47.8Very low44.4Very low124 Ų124140 Ų14066%0.66380%0.8SS**  trans-72.2117.3179.8-155.7-26.4000112.1H274D272-H274 PolarHBondContact O-N 2.78Å
273R44.9Very low44.4Very low235 Ų235136.8 Ų136.889%0.88780%0.8SS**  trans-9668.1-170-140.5-178.3-169.5-173.23.1110.2Y271 L275Y271-R273 PolarHBondContact O-N 3.38Å; R273-L275 PolarHBondContact O-N 2.78Å
274H46.9Very low44.3Very low162 Ų162136.1 Ų136.175%0.7580%0.802SS**  trans-53.2112.6178.9-76.7-44.4000112.5D272D272-H274 PolarHBondContact O-N 2.78Å
275L41.3Very low44.7Very low166 Ų166134 Ų13487%0.86980%0.799SS**PPolyproline II helixtrans-71.9132.8165.6-68.2169.6000108.9R273R273-L275 PolarHBondContact O-N 2.78Å
276L49.7Very low45Very low165 Ų165133.5 Ų133.586%0.86480%0.802SS**PPolyproline II helixtrans-65.6137.1-177.5-71.3169.1000111.6
277P46.3Very low44.6Very low113 Ų113130.9 Ų130.973%0.73479%0.794SS**PPolyproline II helixtrans-74.5130178.730.3-34000111.1
278N37.7Very low44.5Very low166 Ų166134 Ų13489%0.88880%0.798SS**  trans-99.3103.3168.1-173.216.1000109.5
279S43Very low43.7Very low114 Ų114131.5 Ų131.580%0.79779%0.792SS**  trans-118.192.2-177.259.40000111.6
280G44.3Very low43Very low74 Ų74130.5 Ų130.576%0.76380%0.8SS**  trans-151.8104.1171.900000109.6
281A40.6Very low42.3Very low109 Ų109129 Ų12990%0.90180%0.798SS**  trans-102.1130-167.200000113.2
282A41.1Very low41.8Very low96 Ų96124.3 Ų124.379%0.79380%0.802SS**  trans-166135.8145.900000112.7
283A43.9Very low41.3Very low86 Ų86122.3 Ų122.371%0.71180%0.803SS**  trans50.5114.5146.300000122.1
284T44.9Very low41Very low134 Ų134117 Ų11782%0.82280%0.797SS**  trans53.8140130.358.80000121.8
285S47.8Very low40.6Very low105 Ų105115.4 Ų115.473%0.73480%0.798SS**  cis-177.5150.3-7.948.50000110.4
286A41.1Very low40.3Very low103 Ų103113 Ų11385%0.85180%0.795SS**  trans67.3147.1165.800000116.7
287A38.9Very low39.9Very low86 Ų86110.8 Ų110.871%0.71179%0.794SS**  cis-154.7158.2-12.400000112
288M37.6Very low39.2Very low188 Ų188115.3 Ų115.393%0.92680%0.798SS**  trans19.9145.3139.9-61.6178.5-178.400121.4
289A37.8Very low39.3Very low86 Ų86118 Ų11871%0.71180%0.797SS**  cis-174.8161.3-11.300000110.6
290A35.5Very low38.9Very low101 Ų101115.5 Ų115.584%0.83579%0.789SS**  trans61.7163.1148.300000120.2
291A33Very low38.9Very low90 Ų90124 Ų12474%0.74480%0.798SS**  cis-166.1147.4-37.100000110.9
292A33.5Very low38.9Very low107 Ų107126.2 Ų126.288%0.88479%0.794SS**  trans64.6-179.4154.400000120
293A37.8Very low39Very low83 Ų83133.1 Ų133.169%0.68680%0.8SS**  trans77.172164.900000120.5
294T39.3Very low39.1Very low124 Ų124134.1 Ų134.176%0.76180%0.801SS**  58.8136.4119.3520000123.9
295T37.7Very low39.2Very low127 Ų127133.4 Ų133.478%0.77980%0.799SS**  trans68.7112143.350.20000121.6
296S35.3Very low39.2Very low115 Ų115135.8 Ų135.880%0.80480%0.803SS**  45.3110.7127.7-164.50000119.5
297S39.9Very low39.5Very low119 Ų119142.5 Ų142.583%0.83281%0.806SS**  -168148.9106.734.30000114.9
298Y32.2Very low39.6Very low208 Ų208150 Ų15082%0.81682%0.816SS**  trans-58.7119.2176.3-175.2-86.6000114.4
299Y40.1Very low39.9Very low224 Ų224145.5 Ų145.588%0.87881%0.809SS**  trans-168.9151.3147.4-87.7-63.5000106.6
300G35.2Very low40.2Very low60 Ų60146.4 Ų146.462%0.61982%0.817SS**  cis110.8103.928.300000108.1
301R43.6Very low40.3Very low253 Ų253146.2 Ų146.296%0.95582%0.815SS**  trans-143.7108.1-178.5-97.4-171.9170.6172.6-1113.1
302D40.4Very low40.8Very low155 Ų155150.8 Ų150.883%0.82982%0.823SS**  trans-70150.3174.8-64.6-104.3000115.1
303R43.5Very low41.2Very low242 Ų242153.6 Ų153.691%0.91382%0.822SS**  trans-151143139.6-69.2-166.2178.1-155.5-0.8107.7
304S45.7Very low41.9Very low106 Ų106154.5 Ų154.574%0.74182%0.821SS**  cis-160.6162.1-16.3-90.30000107.6
305P47.5Very low42Very low120 Ų120154.4 Ų154.478%0.77982%0.82SS**  trans-93.1158.7-160.836.1-37.4000115.3
306L47.2Very low42.4Very low154 Ų154155 Ų15581%0.80682%0.823SS**  trans-161.4126.9154.2-110.4168.6000114.8
307R48.2Very low42.6Very low245 Ų245152.4 Ų152.493%0.92582%0.815SS**  trans67.5158.9161.4-74.9175-173.4-162.90.8120.6
308R40.8Very low42.7Very low243 Ų243155.7 Ų155.792%0.91782%0.818SS**  trans-156121.3-158.3171.4-154.7-69.8169.9-5110.2
309A44.7Very low43.2Very low93 Ų93149.5 Ų149.577%0.76982%0.817SS**  trans-178.1107.7152.100000106.6
310A43.3Very low43.1Very low106 Ų106149.9 Ų149.988%0.87682%0.818SS**  69.598.969.100000112.2
311A37.4Very low43.4Very low96 Ų96150.6 Ų150.679%0.79383%0.826SS**  trans-102.4140.5176.200000110.9
312M42.6Very low43.3Very low187 Ų187150.1 Ų150.192%0.92183%0.826SS**  trans-145.7142.7169-81.8-64.8163.200110
313L42.6Very low43.3Very low166 Ų166145.9 Ų145.987%0.86982%0.818SS**  trans-156.2165177.4-82.1178000106.8
314P52.3Low43.7Very low101 Ų101140.1 Ų140.166%0.65681%0.812SS**  cis-133.7-167.1-17.325.5-2.1000113.1
315T42.8Very low43.6Very low122 Ų122143.6 Ų143.675%0.74882%0.817SS**  trans124.3144.8135.666.90000120.7
316V44.6Very low43.4Very low139 Ų139142.9 Ų142.984%0.84281%0.814SS**  trans77.3135.5160.4-1580000120.3
317G40.2Very low43.2Very low62 Ų62143.1 Ų143.164%0.63981%0.812SS**  trans10282164.500000114.9
318E43Very low43.2Very low188 Ų188138.6 Ų138.688%0.87981%0.805SS**  68.9123.774.4-66.4-170.891.100116.3
319G41Very low43.3Very low77 Ų77131.7 Ų131.779%0.79479%0.794SS**  trans159120.9174.500000112.9
320Y39.5Very low43.3Very low233 Ų233135.3 Ų135.391%0.91480%0.795SS**  trans-105.9155.2-173.8-68.9-101.1000113.1
321G40.1Very low43.3Very low75 Ų75134 Ų13477%0.77378%0.784SS**  trans-177.1123.9166.600000115.3
322Y41.5Very low43.6Very low243 Ų243135.2 Ų135.295%0.95379%0.787SS**  trans-83.6170.2164.7-78.6-117.9000109.4
323G41.4Very low43.6Very low65 Ų65130.9 Ų130.967%0.6778%0.78SS**  cis-169.8-164.48.400000111.8
324P51.5Low43.7Very low122 Ų122127.5 Ų127.579%0.79278%0.776SS**  trans-105.9-151.5-165.541.8-35.6000115.4
325E43.7Very low43.2Very low178 Ų178129.2 Ų129.283%0.83279%0.785SS**  trans88.7110.6175.8-46.8-163.1112.200114.7
326S43.8Very low43Very low105 Ų105134.3 Ų134.373%0.73479%0.791SS**  95.4153.190.772.50000112
327E42.2Very low42.9Very low160 Ų160135.6 Ų135.675%0.74879%0.793SS**  cis-147.4176.519.5-65.7177.76600113.3
328L47.6Very low42.7Very low149 Ų149137.8 Ų137.878%0.7880%0.798SS**  trans19.1145.4142.4-66.8158.1000120.5
329S43.8Very low42.5Very low98 Ų98136.6 Ų136.669%0.68580%0.797SS**  cis-166.3-163.410.7-136.60000108.6
330Q45.2Very low42.4Very low170 Ų170142.6 Ų142.679%0.79480%0.798SS**  cis-150.3144.70.2-114.9-175.186.300104.7
331A42.5Very low42.3Very low79 Ų79137.5 Ų137.565%0.65379%0.786SS**  81.5110.161.200000117.1
332S43Very low42.3Very low121 Ų121139.9 Ų139.985%0.84678%0.779SS**  trans177.6141.7137.8-83.10000114.4
333A42.8Very low42.4Very low95 Ų95133 Ų13379%0.78577%0.772SS**  trans36.8120.3161.800000120.6
334A45Very low42.5Very low95 Ų95139.5 Ų139.579%0.78578%0.776SS**  72.1139.661.400000113.6
335T42.1Very low41.9Very low138 Ų138143 Ų14385%0.84778%0.775SS**  cis-146162.621.1-52.10000112
336R39.1Very low41.7Very low229 Ų229143.9 Ų143.986%0.86478%0.779SS**  trans-67.3151.1171.6-67.7171.5167.6158.3-6.1112.8
337N41.9Very low41.6Very low165 Ų165147 Ų14788%0.88278%0.775SS**  -162.3153.5125.5-106.5-11.4000112.8
338S35.7Very low41.5Very low108 Ų108149 Ų14976%0.75578%0.784SS**  trans-118.7141.8166.91690000107.3
339L39.1Very low41.3Very low164 Ų164148.5 Ų148.586%0.85978%0.778SS**  trans-163.5151.4161.2-110.2167.4000113.2
340Y38.9Very low41.1Very low203 Ų203154.3 Ų154.380%0.79679%0.786SS**  trans-61.1144.3-171.4-97.2-117.9000118.6
341D38.1Very low41.2Very low125 Ų125151.4 Ų151.467%0.66878%0.78SS**  79.8159.8124.6-149.32.5000122.6
342M40.1Very low41.2Very low126 Ų126155 Ų15562%0.62179%0.788SS**  trans73.285.8164.3-65.6-65.1156.500122.4
343A42.9Very low41.2Very low99 Ų99159.8 Ų159.882%0.81879%0.788SS**  trans-176122.5132.500000108.5
344R42.7Very low41.4Very low201 Ų201158.8 Ų158.876%0.75878%0.779SS**  cis79.2116.46.9-103.2-177.1-175.8176.83.6118.5
345Y39Very low41.6Very low194 Ų194165 Ų16576%0.76178%0.782SS**  trans83.191.7162.8-84.9-89.6000121.3
346E40.6Very low41.7Very low198 Ų198168.9 Ų168.993%0.92578%0.783SS**  trans-167.1124.1132.2-104.1173.4165.300105.8
347R41.2Very low42.3Very low171 Ų171162.3 Ų162.365%0.64577%0.773SS**  cis94.352.79.5-146.7-158.9-163.9-154.53.8117.9Q349R347-Q349 HydrophobicContact CG-CG 4.11Å
348E41.1Very low42.8Very low202 Ų202158.7 Ų158.794%0.94477%0.766SS**  trans-73132.8150.3-66.6-168.7114.400110.2
349Q42.7Very low43.6Very low138 Ų138167 Ų16765%0.64579%0.789SS**  trans-118.6134.6178-78.9-161.2-82.300113.5R347R347-Q349 HydrophobicContact CG-CG 4.11Å
350Y38.9Very low43.9Very low220 Ų220167.2 Ų167.286%0.86379%0.785SS**  trans-32.4161.5154.4-144.2-115.4000116.5
351V47.3Very low44.1Very low109 Ų109165.3 Ų165.366%0.66179%0.785SS**  trans84.985.3172.2-164.20000116.2R353V351-R353 HydrophobicContact CG1-CB 3.75Å
352D42.5Very low44.5Very low155 Ų155167.6 Ų167.683%0.82979%0.791SS**  trans-72.6124141.1-178.8-6.4000108.4A354D352-A354 PolarHBondContact OD1-N 3.1Å
353R44.6Very low44.7Very low221 Ų221170 Ų17083%0.83480%0.801SS**  trans-152.179.1168.1-168.5-177.3179.490.6-0.5111.2V351V351-R353 HydrophobicContact CG1-CB 3.75Å
354A46.3Very low44.8Very low73 Ų73174.4 Ų174.460%0.60380%0.8SS**  trans-62.5160.6167.600000113.7D352D352-A354 PolarHBondContact OD1-N 3.1Å
355R49Very low45Very low226 Ų226172.7 Ų172.785%0.85380%0.803SS**  trans96.3142.7166.8-55.4176.9178.3177.8-0.2117.7
356Y44.2Very low45.4Very low219 Ų219171.1 Ų171.186%0.85981%0.806SS**  trans71.2140.2-178.1-63.8-89.3000116.4
357S51.5Low45.8Very low92 Ų92169.1 Ų169.164%0.64380%0.797SS**  cis-178.2135.5-25.745.60000110.2
358A53.4Low46.2Very low89 Ų89168.9 Ų168.974%0.73681%0.809SS**  trans60.5148.8175.800000115
359F52.6Low46.6Very low283 Ų283165.9 Ų165.9100%1.24180%0.797SS**  cis-121.6014.1-85.6-103.3000112.6

Retrieved 359 of 359 residues in 72.1 ms (Link to these results)

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