A0A087X1P2_HUMAN Loading...

Protocadherin gamma subfamily C, 3

AlphaFold DB , UniProt , Accession A0A087X1P2, Species HUMAN (Homo sapiens, Human), Gene PCDHGC3, Length 242 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
1M33.8Very low53.5Low167 Ų16786.7 Ų86.782%0.82349%0.492SS*.  0108.80-178.4-177.8-69.300106.2H32M1-H32 PolarHBondContact O-CD2 3.2Å; M1-H32 VanDerWaalsContact O-CD2 3.27Å
2V45.6Very low56.5Low70 Ų7081.1 Ų81.142%0.42446%0.459SS..  trans-55.8139.4-178.6-119.30000109.8W6V2-W6 HydrophobicContact CB-CB 4.45Å; V2-W6 HydrophobicContact CG1-CB 3.92Å
3P46.3Very low59.3Low36 Ų3686 Ų8623%0.23447%0.472CS..  trans-57.9152.2175.8-14.929.8000109.2A5 W6 H32P3-A5 PolarHBondContact O-N 2.99Å; P3-A5 VanDerWaalsContact O-N 3.09Å; P3-W6 PolarHBondContact O-N 3.27Å; P3-H32 HydrophobicContact CG-CB 3.55Å
4E47.8Very low61.9Low140 Ų14082.2 Ų82.265%0.65445%0.451SS*.G310 helixtrans-55.3-34.5-173.7-160.2160.5-162.200112.2W6 R7 L10E4-W6 VanDerWaalsContact C-N 3.26Å; E4-W6 PolarHBondContact O-N 3.2Å; E4-R7 PolarHBondContact O-N 3.26Å; E4-L10 WeakPolarHBondContact O-CD1 3.23Å; E4-L10 WeakPolarHBondContact O-CD2 3.48Å
5A50.6Low64.2Low16 Ų1685.7 Ų85.713%0.13246%0.463CS..G310 helixtrans-63.5-16.1175.300000116.7P3 L10 E29 L100P3-A5 PolarHBondContact O-N 2.99Å; P3-A5 VanDerWaalsContact O-N 3.09Å; A5-L10 WeakPolarHBondContact O-CB 3.29Å; A5-E29 WeakPolarHBondContact CB-OE2 3.45Å; A5-L100 WeakPolarHBondContact O-CD1 3.41Å
6W54.3Low66.3Low21 Ų2180.6 Ų80.68%0.0844%0.435CS..G310 helixtrans-109.713.6-175-64.779.4000112.9V2 P3 E4 A31 Y44 L86 A88 A98 L100V2-W6 HydrophobicContact CB-CB 4.45Å; V2-W6 HydrophobicContact CG1-CB 3.92Å; P3-W6 PolarHBondContact O-N 3.27Å; E4-W6 VanDerWaalsContact C-N 3.26Å; E4-W6 PolarHBondContact O-N 3.2Å; W6-A31 HydrophobicContact CD2-CB 4.05Å; W6-A31 HydrophobicContact CE3-CB 4.34Å; W6-A31 HydrophobicContact CH2-CB 4.17Å; W6-A31 HydrophobicContact CZ2-CB 3.88Å; W6-A31 HydrophobicContact CZ3-CB 4.4Å; W6-Y44 HydrophobicContact CH2-CD1 4.3Å; W6-Y44 HydrophobicContact CH2-CE1 4.13Å; W6-Y44 HydrophobicContact CZ2-CE1 4.18Å; W6-L86 HydrophobicContact CH2-CD2 3.65Å; W6-L86 HydrophobicContact CH2-CG 3.96Å; W6-L86 HydrophobicContact CZ2-CD2 3.86Å; W6-A88 HydrophobicContact CH2-CB 4Å; W6-A88 HydrophobicContact CZ3-CB 3.8Å; W6-A98 HydrophobicContact CE3-CB 3.94Å; W6-A98 HydrophobicContact CZ3-CB 4.41Å; W6-L100 HydrophobicContact CD2-CB 4.43Å; W6-L100 HydrophobicContact CD2-CD2 4.32Å; W6-L100 HydrophobicContact CE3-CB 4.01Å; W6-L100 HydrophobicContact CH2-CB 4.11Å; W6-L100 HydrophobicContact CH2-CD2 4.46Å; W6-L100 HydrophobicContact CZ2-CB 4.5Å; W6-L100 HydrophobicContact CZ2-CD2 4.04Å; W6-L100 HydrophobicContact CZ3-CB 3.84Å
7R53Low68.2Low126 Ų12678.1 Ų78.148%0.47543%0.425SS..SBendtrans-82.7147.4172-61.9-179.9179.3173.51.9110.1E4 G9 L10E4-R7 PolarHBondContact O-N 3.26Å; R7-G9 PolarHBondContact O-N 3.17Å; R7-L10 HydrophobicContact CB-CD1 4.05Å; R7-L10 PolarHBondContact O-N 3.23Å
8S45.2Very low69.8Low132 Ų13274.2 Ų74.292%0.92340%0.403SS*.THydrogen-bonded Turntrans-51.5112.7-179.957.70000111.7
9G56.3Low71.2Confident85 Ų8574.2 Ų74.288%0.87642%0.415SS*.THydrogen-bonded Turntrans111-2.1177.600000116R7R7-G9 PolarHBondContact O-N 3.17Å
10L72.1Confident72.5Confident74 Ų7472.3 Ų72.339%0.38741%0.405SS..  trans-88.1146.4170.2-81.197.3000112.2E4 A5 R7 L100E4-L10 WeakPolarHBondContact O-CD1 3.23Å; E4-L10 WeakPolarHBondContact O-CD2 3.48Å; A5-L10 WeakPolarHBondContact O-CB 3.29Å; R7-L10 HydrophobicContact CB-CD1 4.05Å; R7-L10 PolarHBondContact O-N 3.23Å; L10-L100 WeakPolarHBondContact O-CD1 3.29Å
11E83.7Confident73.7Confident87 Ų8771.7 Ų71.741%0.40741%0.409SS..  trans-127.1144.7176.461.2-176173.400108.5K13 H103E11-K13 HydrophobicContact CG-CG 4.49Å; E11-K13 WeakPolarHBondContact OE1-CE 3.25Å; E11-K13 IonicContact OE1-NZ 2.77Å; E11-K13 PolarHBondContact OE1-NZ 3.36Å; E11-H103 IonicContact OE2-CE1 3.91Å; E11-H103 PolarHBondContact OE2-CE1 3.23Å; E11-H103 IonicContact OE2-CG 3.67Å; E11-H103 IonicContact OE2-ND1 3.02Å; E11-H103 PolarHBondContact OE2-ND1 2.98Å
12M89.2Confident76.7Confident19 Ų1967.3 Ų67.39%0.09439%0.393CS..EExtended strand (participates in β ladder)trans-88.9132.6169.7-177.3178.3-68.900109L14 L28 E29 L100 P101 I102 H103M12-L14 HydrophobicContact CG-CD2 4.34Å; M12-L14 HydrophobicContact CG-CG 4.32Å; M12-L14 HydrophobicContact SD-CD1 4.46Å; M12-L14 HydrophobicContact SD-CD2 4.33Å; M12-L14 HydrophobicContact SD-CG 4.42Å; M12-L28 HydrophobicContact CE-CD2 4.39Å; M12-L28 HydrophobicContact SD-CD2 3.61Å; M12-E29 HydrophobicContact CE-CB 3.81Å; M12-E29 HydrophobicContact CE-CG 3.91Å; M12-L100 HydrophobicContact CB-CD2 4.28Å; M12-L100 HydrophobicContact CB-CG 4.45Å; M12-L100 HydrophobicContact CE-CD2 3.93Å; M12-P101 PolarHBondContact N-O 2.98Å; M12-I102 HydrophobicContact CB-CG1 4.15Å; M12-I102 HydrophobicContact CB-CG2 4.48Å; M12-I102 HydrophobicContact CG-CG2 4.47Å; M12-I102 CarbonylContact O-C 3.5Å; M12-I102 WeakPolarHBondContact O-CA 3.07Å; M12-I102 HydrophobicContact SD-CD1 4.41Å; M12-I102 HydrophobicContact SD-CG1 4.22Å; M12-I102 HydrophobicContact SD-CG2 4.47Å; M12-H103 PolarHBondContact O-N 2.8Å
13K93.3Very high79.2Confident145 Ų14566.2 Ų66.263%0.6340%0.396SS*.EExtended strand (participates in β ladder)trans-112.4126.1174.3-67.8-178.8-178.8170.10109.6E11 H103E11-K13 HydrophobicContact CG-CG 4.49Å; E11-K13 WeakPolarHBondContact OE1-CE 3.25Å; E11-K13 IonicContact OE1-NZ 2.77Å; E11-K13 PolarHBondContact OE1-NZ 3.36Å; K13-H103 WeakPolarHBondContact CA-O 3.15Å; K13-H103 HydrophobicContact CG-CB 4.45Å
14L95.3Very high81.6Confident33 Ų3367 Ų6717%0.17340%0.4CS..EExtended strand (participates in β ladder)trans-120141.1173.3-60.5177.8000108.7M12 I16 L28 L68 I102 H103 I104 K105M12-L14 HydrophobicContact CG-CD2 4.34Å; M12-L14 HydrophobicContact CG-CG 4.32Å; M12-L14 HydrophobicContact SD-CD1 4.46Å; M12-L14 HydrophobicContact SD-CD2 4.33Å; M12-L14 HydrophobicContact SD-CG 4.42Å; L14-I16 HydrophobicContact CB-CD1 4.39Å; L14-I16 HydrophobicContact CB-CG1 4.33Å; L14-L28 HydrophobicContact CD1-CD2 4.32Å; L14-L68 HydrophobicContact CD1-CD1 3.9Å; L14-I102 HydrophobicContact CD1-CG2 3.85Å; L14-I102 HydrophobicContact CG-CG2 4.19Å; L14-H103 PolarHBondContact N-O 3.42Å; L14-I104 HydrophobicContact CB-CG1 4.3Å; L14-I104 HydrophobicContact CD1-CG1 4.41Å; L14-I104 CarbonylContact O-C 3.51Å; L14-I104 WeakPolarHBondContact O-CA 3.05Å; L14-K105 PolarHBondContact O-N 2.89Å
15E97.2Very high84Confident134 Ų13466.1 Ų66.163%0.62639%0.391SS*.EExtended strand (participates in β ladder)trans-116.2116.9169.8-59.1-168.1154.100107.2K105 L107E15-K105 WeakPolarHBondContact CA-O 3.38Å; E15-K105 HydrophobicContact CG-CB 4.35Å; E15-L107 HydrophobicContact CB-CD1 3.91Å; E15-L107 HydrophobicContact CB-CD2 4.08Å; E15-L107 HydrophobicContact CB-CG 4.01Å
16I97.8Very high86.1Confident4 Ų467.1 Ų67.12%0.02139%0.392CS..EExtended strand (participates in β ladder)trans-128121.5-173.7-58.7179000108L14 V20 F26 F52 L74 I104 K105 V106 L107L14-I16 HydrophobicContact CB-CD1 4.39Å; L14-I16 HydrophobicContact CB-CG1 4.33Å; I16-V20 HydrophobicContact CG2-CB 4.42Å; I16-V20 HydrophobicContact CG2-CG2 4.21Å; I16-F26 HydrophobicContact CB-CE1 4.47Å; I16-F26 HydrophobicContact CB-CZ 4.42Å; I16-F26 HydrophobicContact CD1-CD1 4.04Å; I16-F26 HydrophobicContact CD1-CD2 4.13Å; I16-F26 HydrophobicContact CD1-CE1 3.88Å; I16-F26 HydrophobicContact CD1-CE2 3.99Å; I16-F26 HydrophobicContact CD1-CG 4.15Å; I16-F26 HydrophobicContact CD1-CZ 3.84Å; I16-F26 HydrophobicContact CG1-CD1 4.25Å; I16-F26 HydrophobicContact CG1-CE1 3.85Å; I16-F26 HydrophobicContact CG1-CZ 4.09Å; I16-F26 HydrophobicContact CG2-CE1 3.92Å; I16-F26 HydrophobicContact CG2-CE2 4.3Å; I16-F26 HydrophobicContact CG2-CZ 3.49Å; I16-F26 VanDerWaalsContact CG2-CZ 3.49Å; I16-F52 HydrophobicContact CD1-CE1 4.07Å; I16-F52 HydrophobicContact CD1-CZ 3.75Å; I16-L74 HydrophobicContact CB-CD1 4.21Å; I16-L74 HydrophobicContact CG2-CD1 3.68Å; I16-I104 HydrophobicContact CB-CG2 4.19Å; I16-I104 HydrophobicContact CD1-CD1 4.46Å; I16-I104 HydrophobicContact CD1-CG2 3.8Å; I16-I104 HydrophobicContact CG1-CG2 4.01Å; I16-K105 PolarHBondContact N-O 3.24Å; I16-V106 CarbonylContact O-C 3.58Å; I16-V106 VanDerWaalsContact O-CA 3.29Å; I16-V106 WeakPolarHBondContact O-CA 3.4Å; I16-L107 PolarHBondContact O-N 2.91Å
17S97.6Very high88Confident38 Ų3870.9 Ų70.927%0.26642%0.419SS..EExtended strand (participates in β ladder)trans-68.2141.3175.31760000111.6A19 V20 L107S17-A19 PolarHBondContact O-N 2.74Å; S17-A19 PolarHBondContact OG-N 2.76Å; S17-V20 WeakPolarHBondContact O-CB 3.31Å; S17-V20 VanDerWaalsContact O-CG2 3.23Å; S17-V20 WeakPolarHBondContact O-CG2 3.4Å; S17-V20 PolarHBondContact O-N 2.78Å; S17-V20 VanDerWaalsContact O-N 3.15Å; S17-L107 WeakPolarHBondContact CA-O 3.44Å
18E97.7Very high89.8Confident8 Ų865.5 Ų65.54%0.03740%0.4CS..THydrogen-bonded Turntrans-66-23.6175.971.7-165.1120.600114V20 L74 D75 R76 V106 L107 D108 A109E18-V20 PolarHBondContact O-N 3.48Å; E18-V20 VanDerWaalsContact O-N 3.09Å; E18-L74 HydrophobicContact CB-CB 4.2Å; E18-D75 WeakPolarHBondContact OE2-CA 3.41Å; E18-R76 WeakPolarHBondContact OE1-CB 3.4Å; E18-R76 VanDerWaalsContact OE2-CB 3.29Å; E18-R76 WeakPolarHBondContact OE2-CB 3.47Å; E18-R76 PolarHBondContact OE2-N 2.87Å; E18-V106 HydrophobicContact CB-CG1 3.82Å; E18-L107 PolarHBondContact N-O 3.42Å; E18-D108 VanDerWaalsContact OE1-CA 3.26Å; E18-D108 WeakPolarHBondContact OE1-CA 3.21Å; E18-A109 HydrophobicContact CG-CB 3.65Å; E18-A109 PolarHBondContact OE1-N 2.83Å
19A96.6Very high91.6Very high75 Ų7564.4 Ų64.462%0.6238%0.38SS*.THydrogen-bonded Turntrans-68.7-4.3173.600000113.7S17 A21 A109S17-A19 PolarHBondContact O-N 2.74Å; S17-A19 PolarHBondContact OG-N 2.76Å; A19-A21 PolarHBondContact O-N 2.9Å; A19-A109 HydrophobicContact CB-CB 3.79Å
20V97.3Very high92.9Very high35 Ų3563.3 Ų63.321%0.21236%0.359CS..PPolyproline II helixtrans-69.4125.1177.7174.70000110.7I16 S17 E18 T24 F26 L70I16-V20 HydrophobicContact CG2-CB 4.42Å; I16-V20 HydrophobicContact CG2-CG2 4.21Å; S17-V20 WeakPolarHBondContact O-CB 3.31Å; S17-V20 VanDerWaalsContact O-CG2 3.23Å; S17-V20 WeakPolarHBondContact O-CG2 3.4Å; S17-V20 PolarHBondContact O-N 2.78Å; S17-V20 VanDerWaalsContact O-N 3.15Å; E18-V20 PolarHBondContact O-N 3.48Å; E18-V20 VanDerWaalsContact O-N 3.09Å; V20-T24 HydrophobicContact CG1-CG2 3.56Å; V20-T24 VanDerWaalsContact CG1-OG1 3.29Å; V20-T24 WeakPolarHBondContact CG1-OG1 3.41Å; V20-F26 HydrophobicContact CG1-CZ 3.95Å; V20-L70 HydrophobicContact CB-CD2 4.31Å; V20-L70 HydrophobicContact CG1-CD2 3.98Å; V20-L70 WeakPolarHBondContact O-CD2 3.32Å
21A97.2Very high93.3Very high61 Ų6160.5 Ų60.550%0.50435%0.346SS..PPolyproline II helixtrans-68.6143.7179.700000112.6A19 T24A19-A21 PolarHBondContact O-N 2.9Å; A21-T24 WeakPolarHBondContact O-CB 3.49Å; A21-T24 PolarHBondContact O-N 3.01Å; A21-T24 PolarHBondContact O-OG1 3.16Å
22P97.8Very high93.2Very high75 Ų7561.3 Ų61.349%0.48735%0.35SS..THydrogen-bonded Turntrans-53.3144167.2-26.335.2000112.4L70 A73P22-L70 CarbonylContact C-O 3.57Å; P22-L70 WeakPolarHBondContact CA-O 3.39Å; P22-A73 HydrophobicContact CG-CB 4.4Å
23G96.9Very high92.7Very high46 Ų4662.4 Ų62.447%0.47436%0.356SS..THydrogen-bonded Turntrans94.6-13.1-171.700000113.9L70G23-L70 PolarHBondContact N-O 2.92Å
24T97.7Very high92.2Very high52 Ų5259.6 Ų59.632%0.31935%0.353SS..  trans-64.4141.9176.3-58.60000110.7V20 A21 F26 V69 L70V20-T24 HydrophobicContact CG1-CG2 3.56Å; V20-T24 VanDerWaalsContact CG1-OG1 3.29Å; V20-T24 WeakPolarHBondContact CG1-OG1 3.41Å; A21-T24 WeakPolarHBondContact O-CB 3.49Å; A21-T24 PolarHBondContact O-N 3.01Å; A21-T24 PolarHBondContact O-OG1 3.16Å; T24-F26 HydrophobicContact CG2-CE1 4.39Å; T24-F26 HydrophobicContact CG2-CE2 4.07Å; T24-F26 HydrophobicContact CG2-CZ 3.89Å; T24-V69 WeakPolarHBondContact O-CA 3.43Å; T24-L70 PolarHBondContact O-N 2.78Å
25R96.8Very high91.7Very high123 Ų12362.1 Ų62.146%0.46437%0.367SS..EExtended strand (participates in β ladder)trans-117136-174.8-51.2-171.9-171.4155.68.5111.2R55 L68 V69R25-R55 VanDerWaalsContact CZ-NH1 3.32Å; R25-R55 VanDerWaalsContact NH2-NH1 3.17Å; R25-L68 CarbonylContact C-O 3.52Å; R25-L68 VanDerWaalsContact CA-O 3.24Å; R25-L68 WeakPolarHBondContact CA-O 3.39Å; R25-V69 HydrophobicContact CG-CG2 4.17Å
26F95.8Very high91Very high37 Ų3761.7 Ų61.716%0.16237%0.373CS..EExtended strand (participates in β ladder)trans-118.7114.7178.9-55-89.9000108.6I16 V20 T24 L28 F52 E67 L68 L70I16-F26 HydrophobicContact CB-CE1 4.47Å; I16-F26 HydrophobicContact CB-CZ 4.42Å; I16-F26 HydrophobicContact CD1-CD1 4.04Å; I16-F26 HydrophobicContact CD1-CD2 4.13Å; I16-F26 HydrophobicContact CD1-CE1 3.88Å; I16-F26 HydrophobicContact CD1-CE2 3.99Å; I16-F26 HydrophobicContact CD1-CG 4.15Å; I16-F26 HydrophobicContact CD1-CZ 3.84Å; I16-F26 HydrophobicContact CG1-CD1 4.25Å; I16-F26 HydrophobicContact CG1-CE1 3.85Å; I16-F26 HydrophobicContact CG1-CZ 4.09Å; I16-F26 HydrophobicContact CG2-CE1 3.92Å; I16-F26 HydrophobicContact CG2-CE2 4.3Å; I16-F26 HydrophobicContact CG2-CZ 3.49Å; I16-F26 VanDerWaalsContact CG2-CZ 3.49Å; V20-F26 HydrophobicContact CG1-CZ 3.95Å; T24-F26 HydrophobicContact CG2-CE1 4.39Å; T24-F26 HydrophobicContact CG2-CE2 4.07Å; T24-F26 HydrophobicContact CG2-CZ 3.89Å; F26-L28 PolarHBondContact O-N 2.68Å; F26-F52 HydrophobicContact CD2-CE1 4.12Å; F26-F52 HydrophobicContact CE2-CE1 4.02Å; F26-E67 CarbonylContact O-C 3.37Å; F26-E67 VanDerWaalsContact O-CA 3.26Å; F26-E67 WeakPolarHBondContact O-CA 3.33Å; F26-L68 HydrophobicContact CB-CB 4.3Å; F26-L68 HydrophobicContact CD2-CB 4.49Å; F26-L68 PolarHBondContact N-O 2.83Å; F26-L68 PolarHBondContact O-N 3.34Å; F26-L70 HydrophobicContact CE2-CB 4.25Å
27P92.9Very high90.3Very high100 Ų10064.2 Ų64.265%0.64940%0.4SS*.EExtended strand (participates in β ladder)trans-65.3135.8177.827.7-33.3000110.3
28L91.3Very high89.6Confident12 Ų1266.1 Ų66.16%0.06341%0.413CS..PPolyproline II helixtrans-101.7152.4173.2-59.8175.2000110.1M12 L14 F26 S30 L54 A66 L68 L86 I102M12-L28 HydrophobicContact CE-CD2 4.39Å; M12-L28 HydrophobicContact SD-CD2 3.61Å; L14-L28 HydrophobicContact CD1-CD2 4.32Å; F26-L28 PolarHBondContact O-N 2.68Å; L28-S30 PolarHBondContact O-N 3.48Å; L28-L54 HydrophobicContact CD1-CD1 3.71Å; L28-A66 HydrophobicContact CB-CB 4.47Å; L28-A66 WeakPolarHBondContact CB-O 3.21Å; L28-A66 HydrophobicContact CD1-CB 4.12Å; L28-A66 PolarHBondContact N-O 2.74Å; L28-L68 HydrophobicContact CD1-CD2 3.96Å; L28-L68 HydrophobicContact CD1-CG 3.76Å; L28-L68 HydrophobicContact CD2-CD1 3.88Å; L28-L68 HydrophobicContact CD2-CG 3.83Å; L28-L68 HydrophobicContact CG-CG 4.02Å; L28-L86 HydrophobicContact CB-CD2 4.38Å; L28-L86 HydrophobicContact CD1-CD1 3.99Å; L28-L86 HydrophobicContact CD1-CD2 3.86Å; L28-I102 HydrophobicContact CD1-CD1 4.37Å; L28-I102 HydrophobicContact CD2-CD1 4.12Å
29E83.7Confident88.8Confident110 Ų11069.2 Ų69.251%0.51443%0.43SS..PPolyproline II helixtrans-63.8131.5171.8-65.3-172.3178.700110.9A5 M12A5-E29 WeakPolarHBondContact CB-OE2 3.45Å; M12-E29 HydrophobicContact CE-CB 3.81Å; M12-E29 HydrophobicContact CE-CG 3.91Å
30S82.3Confident88.3Confident62 Ų6267.1 Ų67.143%0.43441%0.41SS..PPolyproline II helixtrans-77.9137.4178.656.30000111.4L28 Y44L28-S30 PolarHBondContact O-N 3.48Å; S30-Y44 VanDerWaalsContact CA-OH 3.22Å; S30-Y44 WeakPolarHBondContact CA-OH 3.47Å; S30-Y44 WeakPolarHBondContact CB-OH 3.5Å
31A81.4Confident87.8Confident14 Ų1466.5 Ų66.512%0.11641%0.406CS..PPolyproline II helixtrans-66.5149.1164.900000109.9W6 L41 Y44 A88W6-A31 HydrophobicContact CD2-CB 4.05Å; W6-A31 HydrophobicContact CE3-CB 4.34Å; W6-A31 HydrophobicContact CH2-CB 4.17Å; W6-A31 HydrophobicContact CZ2-CB 3.88Å; W6-A31 HydrophobicContact CZ3-CB 4.4Å; A31-L41 HydrophobicContact CB-CD1 4.25Å; A31-L41 HydrophobicContact CB-CD2 4.35Å; A31-Y44 HydrophobicContact CB-CE1 3.85Å; A31-Y44 PolarHBondContact N-OH 3.46Å; A31-A88 HydrophobicContact CB-CB 3.67Å
32H80.6Confident87.5Confident104 Ų10466.9 Ų66.948%0.48140%0.397SS..  trans-120.8122.4176.4178.177.8000110.2M1 P3M1-H32 PolarHBondContact O-CD2 3.2Å; M1-H32 VanDerWaalsContact O-CD2 3.27Å; P3-H32 HydrophobicContact CG-CB 3.55Å
33D79.9Confident87.1Confident42 Ų4265.7 Ų65.723%0.22539%0.389CS..  trans-113.7119.7176.8-164.4-35.7000108.8D35 L41D33-D35 PolarHBondContact O-N 2.95Å; D33-D35 WeakPolarHBondContact OD1-CB 3.22Å; D33-D35 PolarHBondContact OD1-N 3.1Å; D33-L41 HydrophobicContact CB-CB 3.99Å; D33-L41 PolarHBondContact OD2-N 2.92Å
34P83.4Confident87Confident87 Ų8763.8 Ų63.857%0.56537%0.367SS*.  trans-74.1-11.7-18032.1-35.9000113.8
35D83.6Confident86.9Confident86 Ų8666.8 Ų66.846%0.4638%0.378SS..  trans-73.7168.2178.6-69.3-20000111.4D33 N39 S40D33-D35 PolarHBondContact O-N 2.95Å; D33-D35 WeakPolarHBondContact OD1-CB 3.22Å; D33-D35 PolarHBondContact OD1-N 3.1Å; D35-N39 HydrophobicContact CB-CB 3.89Å; D35-S40 WeakPolarHBondContact O-CB 3.49Å
36V82.5Confident86.9Confident125 Ų12562.6 Ų62.676%0.75836%0.364SS*.  trans-123.6157.4-176.2-63.90000111.4
37G83Confident86.9Confident57 Ų5762.7 Ų62.759%0.58837%0.37SS*.G310 helixtrans69.8-133.8176.800000112.1N39 S40 Q42G37-N39 PolarHBondContact O-N 3.33Å; G37-S40 PolarHBondContact O-N 3.48Å; G37-S40 PolarHBondContact O-OG 2.88Å; G37-Q42 PolarHBondContact O-NE2 3.43Å; G37-Q42 VanDerWaalsContact O-NE2 3.16Å
38S83.4Confident87.1Confident77 Ų7770 Ų7054%0.53838%0.384SS..G310 helixtrans-69.9-21.1-179.653.70000113.6S40 Q42 G91S38-S40 VanDerWaalsContact C-N 3.32Å; S38-Q42 PolarHBondContact O-NE2 3.25Å; S38-G91 CarbonylContact O-C 3.09Å; S38-G91 WeakPolarHBondContact O-CA 3.44Å; S38-G91 PolarHBondContact O-N 3.44Å
39N81.1Confident87.3Confident73 Ų7371.7 Ų71.739%0.3939%0.394SS..G310 helixtrans-84.9-8.8-177.7-62.1-12.3000112.5D35 G37D35-N39 HydrophobicContact CB-CB 3.89Å; G37-N39 PolarHBondContact O-N 3.33Å
40S84.9Confident87.9Confident31 Ų3171.6 Ų71.622%0.21739%0.393CS..SBendtrans-79.4170.6172.974.40000111.1D35 G37 S38 Q42D35-S40 WeakPolarHBondContact O-CB 3.49Å; G37-S40 PolarHBondContact O-N 3.48Å; G37-S40 PolarHBondContact O-OG 2.88Å; S38-S40 VanDerWaalsContact C-N 3.32Å; S40-Q42 WeakPolarHBondContact O-CG 3.37Å; S40-Q42 PolarHBondContact O-N 2.81Å; S40-Q42 VanDerWaalsContact O-N 3.15Å; S40-Q42 PolarHBondContact O-NE2 2.83Å
41L87.4Confident88.7Confident22 Ų2269.4 Ų69.412%0.11538%0.375CS..EExtended strand (participates in β ladder)trans-45.6117.7173176.572.1000112.5A31 D33 Y44 K64 A88A31-L41 HydrophobicContact CB-CD1 4.25Å; A31-L41 HydrophobicContact CB-CD2 4.35Å; D33-L41 HydrophobicContact CB-CB 3.99Å; D33-L41 PolarHBondContact OD2-N 2.92Å; L41-Y44 HydrophobicContact CD1-CE1 4.37Å; L41-Y44 HydrophobicContact CD2-CE1 4.39Å; L41-Y44 HydrophobicContact CD2-CE2 3.83Å; L41-Y44 WeakPolarHBondContact CD2-OH 3.31Å; L41-K64 HydrophobicContact CD2-CB 4.31Å; L41-A88 HydrophobicContact CD1-CB 3.74Å
42Q89.9Confident89.5Confident70 Ų7069.2 Ų69.233%0.32737%0.372SS..EExtended strand (participates in β ladder)trans-102.3-37-178.9-65.1-53.1-49.800113.5G37 S38 S40 K64 L89 G91G37-Q42 PolarHBondContact O-NE2 3.43Å; G37-Q42 VanDerWaalsContact O-NE2 3.16Å; S38-Q42 PolarHBondContact O-NE2 3.25Å; S40-Q42 WeakPolarHBondContact O-CG 3.37Å; S40-Q42 PolarHBondContact O-N 2.81Å; S40-Q42 VanDerWaalsContact O-N 3.15Å; S40-Q42 PolarHBondContact O-NE2 2.83Å; Q42-K64 WeakPolarHBondContact O-CD 3.47Å; Q42-K64 WeakPolarHBondContact O-CE 3.18Å; Q42-L89 PolarHBondContact N-O 3.17Å; Q42-G91 VanDerWaalsContact CG-N 3.26Å
43T91.3Very high90.3Very high50 Ų5066 Ų6631%0.30736%0.363SS..EExtended strand (participates in β ladder)trans-161.1172.5-178.6-163.80000112.4L89T43-L89 HydrophobicContact CG2-CB 4.09Å; T43-L89 HydrophobicContact CG2-CD1 3.99Å; T43-L89 PolarHBondContact N-O 3.36Å; T43-L89 PolarHBondContact O-N 3.36Å
44Y94.3Very high91.1Very high6 Ų666 Ų662%0.02436%0.363CS..EExtended strand (participates in β ladder)trans-121150.2167.4-58.3-93.8000109.9W6 S30 A31 L41 L54 V56 K64 A66 L86 T87 A88W6-Y44 HydrophobicContact CH2-CD1 4.3Å; W6-Y44 HydrophobicContact CH2-CE1 4.13Å; W6-Y44 HydrophobicContact CZ2-CE1 4.18Å; S30-Y44 VanDerWaalsContact CA-OH 3.22Å; S30-Y44 WeakPolarHBondContact CA-OH 3.47Å; S30-Y44 WeakPolarHBondContact CB-OH 3.5Å; A31-Y44 HydrophobicContact CB-CE1 3.85Å; A31-Y44 PolarHBondContact N-OH 3.46Å; L41-Y44 HydrophobicContact CD1-CE1 4.37Å; L41-Y44 HydrophobicContact CD2-CE1 4.39Å; L41-Y44 HydrophobicContact CD2-CE2 3.83Å; L41-Y44 WeakPolarHBondContact CD2-OH 3.31Å; Y44-L54 WeakPolarHBondContact O-CD2 3.39Å; Y44-V56 HydrophobicContact CD2-CG1 4.12Å; Y44-V56 HydrophobicContact CD2-CG2 4.21Å; Y44-K64 HydrophobicContact CE2-CB 4.14Å; Y44-K64 WeakPolarHBondContact CE2-O 3.42Å; Y44-K64 PolarHBondContact OH-O 2.96Å; Y44-K64 VanDerWaalsContact OH-O 3.09Å; Y44-A66 HydrophobicContact CD2-CB 3.93Å; Y44-A66 HydrophobicContact CE2-CB 4.39Å; Y44-A66 HydrophobicContact CG-CB 4.03Å; Y44-L86 HydrophobicContact CD1-CD1 4.3Å; Y44-L86 HydrophobicContact CD1-CD2 4.27Å; Y44-L86 HydrophobicContact CD1-CG 4.27Å; Y44-T87 CarbonylContact C-O 3.55Å; Y44-T87 VanDerWaalsContact CA-O 3.25Å; Y44-T87 WeakPolarHBondContact CA-O 3.4Å; Y44-A88 HydrophobicContact CD1-CB 3.99Å; Y44-A88 HydrophobicContact CE1-CB 4.02Å
45E94.9Very high91.7Very high115 Ų11566.8 Ų66.854%0.53736%0.355SS..EExtended strand (participates in β ladder)trans-129.7145.2172.7-69.4-176.217500110T87 L89E45-T87 PolarHBondContact N-O 3.24Å; E45-T87 PolarHBondContact O-N 2.83Å; E45-L89 HydrophobicContact CB-CD1 4.31Å; E45-L89 VanDerWaalsContact CD-CD1 3.41Å; E45-L89 HydrophobicContact CG-CD1 3.66Å
46L96.8Very high92.2Very high35 Ų3565.1 Ų65.118%0.18335%0.347CS..EExtended strand (participates in β ladder)trans-112.8139.1178.2-173.970.6000109.4F52 L54 L68 L84 I102L46-F52 HydrophobicContact CD2-CB 4.21Å; L46-L54 HydrophobicContact CB-CB 3.8Å; L46-L54 HydrophobicContact CB-CD1 4.35Å; L46-L54 HydrophobicContact CB-CD2 4.07Å; L46-L54 HydrophobicContact CB-CG 4.3Å; L46-L54 HydrophobicContact CD2-CB 4.29Å; L46-L68 HydrophobicContact CD1-CD2 3.89Å; L46-L68 HydrophobicContact CD2-CD2 3.58Å; L46-L68 HydrophobicContact CG-CD2 4.38Å; L46-L84 HydrophobicContact CD1-CB 4.05Å; L46-L84 HydrophobicContact CD1-CD1 4.24Å; L46-L84 HydrophobicContact CD2-CD1 4.45Å; L46-I102 HydrophobicContact CD1-CD1 4.48Å
47S97.2Very high92.6Very high39 Ų3961.5 Ų61.527%0.27332%0.322SS..  trans-54.6142.6171.659.20000111.8N49 L84 V85S47-N49 PolarHBondContact O-N 2.92Å; S47-N49 PolarHBondContact O-ND2 2.9Å; S47-L84 WeakPolarHBondContact OG-CA 3.35Å; S47-V85 PolarHBondContact N-O 2.91Å; S47-V85 PolarHBondContact OG-N 2.79Å
48R96.3Very high93Very high252 Ų25262.5 Ų62.595%0.95132%0.317SS*.  trans-55.5128.9176.5-174.2-179.3-177.5-156.5-0.9110.8
49N96.3Very high93.1Very high49 Ų4965.8 Ų65.826%0.26232%0.318SS..  trans-155.1173.117972.989.8000110S47 Y51 F52 L84S47-N49 PolarHBondContact O-N 2.92Å; S47-N49 PolarHBondContact O-ND2 2.9Å; N49-Y51 PolarHBondContact OD1-N 2.87Å; N49-F52 PolarHBondContact ND2-O 3.47Å; N49-F52 PolarHBondContact OD1-N 2.92Å; N49-F52 PolarHBondContact OD1-O 3.26Å; N49-L84 HydrophobicContact CB-CD2 3.45Å; N49-L84 VanDerWaalsContact CB-CD2 3.45Å
50E96.1Very high93.5Very high108 Ų10872.1 Ų72.151%0.50535%0.345SS..SBendtrans-93-21.2-177.1-65.6-161.3-174.700114.8R72E50-R72 WeakPolarHBondContact O-CD 3.35Å; E50-R72 IonicContact OE2-CZ 2.7Å; E50-R72 IonicContact OE2-NH1 2.87Å; E50-R72 PolarHBondContact OE2-NH1 3.36Å
51Y97.6Very high93.5Very high15 Ų1575.5 Ų75.56%0.05936%0.361CS..SBendtrans-108-33-163.4-56.2-82.5000114.2N49 E71 R72 L74 E79 L82N49-Y51 PolarHBondContact OD1-N 2.87Å; Y51-E71 PolarHBondContact O-N 2.91Å; Y51-R72 HydrophobicContact CD1-CB 4.31Å; Y51-R72 PolarHBondContact O-N 2.97Å; Y51-L74 HydrophobicContact CD1-CD2 3.77Å; Y51-L74 HydrophobicContact CE1-CD2 4.42Å; Y51-L74 HydrophobicContact CG-CD2 3.87Å; Y51-E79 WeakPolarHBondContact CE2-OE2 3.44Å; Y51-E79 VanDerWaalsContact CZ-OE2 3.3Å; Y51-E79 PolarHBondContact OH-OE2 2.83Å; Y51-L82 HydrophobicContact CD2-CD1 3.88Å; Y51-L82 HydrophobicContact CD2-CD2 3.69Å; Y51-L82 HydrophobicContact CD2-CG 4.47Å; Y51-L82 HydrophobicContact CE2-CD1 4.4Å; Y51-L82 HydrophobicContact CE2-CD2 3.53Å; Y51-L82 HydrophobicContact CG-CD1 4.34Å
52F98Very high93.2Very high10 Ų1078.9 Ų78.94%0.04439%0.386CS..EExtended strand (participates in β ladder)trans-121131.2-169.9-67.5-82.1000112.4I16 F26 L46 N49 L68 V69 L70 L74 L82 L84 I104I16-F52 HydrophobicContact CD1-CE1 4.07Å; I16-F52 HydrophobicContact CD1-CZ 3.75Å; F26-F52 HydrophobicContact CD2-CE1 4.12Å; F26-F52 HydrophobicContact CE2-CE1 4.02Å; L46-F52 HydrophobicContact CD2-CB 4.21Å; N49-F52 PolarHBondContact ND2-O 3.47Å; N49-F52 PolarHBondContact OD1-N 2.92Å; N49-F52 PolarHBondContact OD1-O 3.26Å; F52-L68 HydrophobicContact CB-CD2 4.28Å; F52-L68 HydrophobicContact CD1-CB 3.89Å; F52-L68 HydrophobicContact CD1-CD1 4.39Å; F52-L68 HydrophobicContact CE1-CB 4.47Å; F52-V69 WeakPolarHBondContact CA-O 3.23Å; F52-L70 HydrophobicContact CD1-CB 4.34Å; F52-L70 HydrophobicContact CD1-CD1 4.07Å; F52-L70 HydrophobicContact CE1-CB 4.04Å; F52-L70 HydrophobicContact CE1-CD1 3.57Å; F52-L70 HydrophobicContact CE1-CG 4.42Å; F52-L70 HydrophobicContact CE2-CD1 4.14Å; F52-L70 HydrophobicContact CZ-CD1 3.6Å; F52-L74 HydrophobicContact CE2-CD2 4.13Å; F52-L74 HydrophobicContact CZ-CD1 4.29Å; F52-L74 HydrophobicContact CZ-CD2 4.36Å; F52-L82 HydrophobicContact CD2-CD1 4.33Å; F52-L82 HydrophobicContact CE2-CD1 3.71Å; F52-L84 HydrophobicContact CB-CD1 4.27Å; F52-L84 HydrophobicContact CD2-CD1 3.97Å; F52-L84 HydrophobicContact CG-CD1 4.35Å; F52-I104 HydrophobicContact CD2-CD1 3.96Å; F52-I104 HydrophobicContact CE2-CD1 3.48Å; F52-I104 VanDerWaalsContact CE2-CD1 3.48Å; F52-I104 HydrophobicContact CZ-CD1 3.87Å
53A97.4Very high93Very high36 Ų3678.7 Ų78.730%0.29839%0.39SS..EExtended strand (participates in β ladder)trans-96.8157162.400000110.6V69 E71A53-V69 PolarHBondContact N-O 3.49Å; A53-V69 PolarHBondContact O-N 2.82Å; A53-E71 HydrophobicContact CB-CG 3.67Å
54L97.5Very high92.8Very high42 Ų4278.8 Ų78.822%0.2239%0.386CS..EExtended strand (participates in β ladder)trans-103127.5173.9-166.771.5000110L28 Y44 L46 V56 A66 L68 L86L28-L54 HydrophobicContact CD1-CD1 3.71Å; Y44-L54 WeakPolarHBondContact O-CD2 3.39Å; L46-L54 HydrophobicContact CB-CB 3.8Å; L46-L54 HydrophobicContact CB-CD1 4.35Å; L46-L54 HydrophobicContact CB-CD2 4.07Å; L46-L54 HydrophobicContact CB-CG 4.3Å; L46-L54 HydrophobicContact CD2-CB 4.29Å; L54-V56 HydrophobicContact CD2-CG2 4.16Å; L54-V56 HydrophobicContact CG-CG2 4.4Å; L54-A66 HydrophobicContact CD1-CB 3.86Å; L54-A66 HydrophobicContact CG-CB 4.33Å; L54-L68 HydrophobicContact CD1-CD2 4.07Å; L54-L86 HydrophobicContact CD1-CD1 3.8Å; L54-L86 HydrophobicContact CD2-CD1 3.92Å
55R95.9Very high92.6Very high104 Ų10481 Ų8139%0.39239%0.394SS..EExtended strand (participates in β ladder)trans-111.4113.5171.7-174.8176.5-178.9148.5-0.5109.7R25 Q57 A66 E67 V69R25-R55 VanDerWaalsContact CZ-NH1 3.32Å; R25-R55 VanDerWaalsContact NH2-NH1 3.17Å; R55-Q57 HydrophobicContact CG-CG 4.18Å; R55-A66 CarbonylContact O-C 3.49Å; R55-A66 WeakPolarHBondContact O-CA 3.18Å; R55-E67 PolarHBondContact N-O 3.45Å; R55-E67 PolarHBondContact O-N 3.33Å; R55-V69 HydrophobicContact CB-CG2 3.82Å
56V94.8Very high92.5Very high51 Ų5175.5 Ų75.531%0.30937%0.369SS..EExtended strand (participates in β ladder)trans-92.9128.6173.8-175.70000109.1Y44 L54 K64 Y65Y44-V56 HydrophobicContact CD2-CG1 4.12Å; Y44-V56 HydrophobicContact CD2-CG2 4.21Å; L54-V56 HydrophobicContact CD2-CG2 4.16Å; L54-V56 HydrophobicContact CG-CG2 4.4Å; V56-K64 HydrophobicContact CG1-CB 4.38Å; V56-Y65 WeakPolarHBondContact CA-O 3.4Å
57Q90.8Very high92.5Very high49 Ų4975.2 Ų75.223%0.22937%0.367CS..EExtended strand (participates in β ladder)trans-120.8149.8176.9-59.9-156.374.300109.8R55 K64 Y65 E67R55-Q57 HydrophobicContact CG-CG 4.18Å; Q57-K64 WeakPolarHBondContact O-CA 3.42Å; Q57-Y65 HydrophobicContact CB-CD1 4.19Å; Q57-Y65 HydrophobicContact CB-CE1 3.58Å; Q57-Y65 HydrophobicContact CB-CE2 3.96Å; Q57-Y65 VanDerWaalsContact CB-CZ 3.46Å; Q57-Y65 HydrophobicContact CG-CE2 4.36Å; Q57-Y65 PolarHBondContact N-O 2.78Å; Q57-Y65 PolarHBondContact NE2-OH 2.67Å; Q57-Y65 PolarHBondContact O-N 2.88Å; Q57-E67 PolarHBondContact NE2-OE1 2.84Å; Q57-E67 PolarHBondContact NE2-OE2 3.36Å
58T90.4Very high92.5Very high78 Ų7873.4 Ų73.448%0.47935%0.354SS..EExtended strand (participates in β ladder)trans-114.2126.3176.8-53.80000108T63 K64T58-T63 WeakPolarHBondContact CA-O 3.38Å; T58-K64 HydrophobicContact CG2-CG 4.34Å; T58-K64 PolarHBondContact OG1-NZ 2.85Å; T58-K64 VanDerWaalsContact OG1-NZ 3.16Å
59R87.1Confident92.6Very high147 Ų14762 Ų6256%0.55531%0.313SS*.  trans-78.3170.6175.6-70.3-174.4-179.6-159.20.6111D61 S62 T63 Y65R59-D61 WeakPolarHBondContact CB-OD1 3.29Å; R59-D61 PolarHBondContact O-N 3.11Å; R59-S62 PolarHBondContact O-N 3.45Å; R59-T63 WeakPolarHBondContact CD-OG1 3.24Å; R59-T63 PolarHBondContact N-O 3.01Å; R59-Y65 HydrophobicContact CG-CD1 3.71Å; R59-Y65 HydrophobicContact CG-CE1 3.54Å
60E88.1Confident92.7Very high205 Ų20559.7 Ų59.796%0.95830%0.3SS*.THydrogen-bonded Turntrans-60.1-29.9177.7-62.2-175.5165.300113S62E60-S62 PolarHBondContact O-N 3.19Å
61D84.6Confident92.7Very high102 Ų10260 Ų6055%0.54530%0.302SS..THydrogen-bonded Turntrans-81.111.4175.565.31.7000113.6R59 T63R59-D61 WeakPolarHBondContact CB-OD1 3.29Å; R59-D61 PolarHBondContact O-N 3.11Å; D61-T63 VanDerWaalsContact CG-CG2 3.49Å; D61-T63 PolarHBondContact O-N 2.7Å; D61-T63 VanDerWaalsContact OD1-CB 3.24Å; D61-T63 WeakPolarHBondContact OD1-CB 3.21Å; D61-T63 VanDerWaalsContact OD1-CG2 3.31Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.09Å; D61-T63 PolarHBondContact OD1-N 3.24Å; D61-T63 PolarHBondContact OD1-OG1 2.97Å; D61-T63 WeakPolarHBondContact OD2-CG2 3.39Å; D61-T63 PolarHBondContact OD2-OG1 2.76Å
62S82.9Confident92.7Very high94 Ų9465 Ų6566%0.65732%0.321SS*.SBendtrans64.27.2-174.8-52.80000115.3R59 E60R59-S62 PolarHBondContact O-N 3.45Å; E60-S62 PolarHBondContact O-N 3.19Å
63T84.3Confident92.7Very high65 Ų6567.5 Ų67.540%0.39934%0.343SS..  trans-72.8139.817364.70000110.6T58 R59 D61T58-T63 WeakPolarHBondContact CA-O 3.38Å; R59-T63 WeakPolarHBondContact CD-OG1 3.24Å; R59-T63 PolarHBondContact N-O 3.01Å; D61-T63 VanDerWaalsContact CG-CG2 3.49Å; D61-T63 PolarHBondContact O-N 2.7Å; D61-T63 VanDerWaalsContact OD1-CB 3.24Å; D61-T63 WeakPolarHBondContact OD1-CB 3.21Å; D61-T63 VanDerWaalsContact OD1-CG2 3.31Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.09Å; D61-T63 PolarHBondContact OD1-N 3.24Å; D61-T63 PolarHBondContact OD1-OG1 2.97Å; D61-T63 WeakPolarHBondContact OD2-CG2 3.39Å; D61-T63 PolarHBondContact OD2-OG1 2.76Å
64K88Confident92.7Very high52 Ų5266.2 Ų66.223%0.22633%0.331CS..EExtended strand (participates in β ladder)trans-104.4133179.7-65.2177.1-174.1-73.70110.3L41 Q42 Y44 V56 Q57 T58L41-K64 HydrophobicContact CD2-CB 4.31Å; Q42-K64 WeakPolarHBondContact O-CD 3.47Å; Q42-K64 WeakPolarHBondContact O-CE 3.18Å; Y44-K64 HydrophobicContact CE2-CB 4.14Å; Y44-K64 WeakPolarHBondContact CE2-O 3.42Å; Y44-K64 PolarHBondContact OH-O 2.96Å; Y44-K64 VanDerWaalsContact OH-O 3.09Å; V56-K64 HydrophobicContact CG1-CB 4.38Å; Q57-K64 WeakPolarHBondContact O-CA 3.42Å; T58-K64 HydrophobicContact CG2-CG 4.34Å; T58-K64 PolarHBondContact OG1-NZ 2.85Å; T58-K64 VanDerWaalsContact OG1-NZ 3.16Å
65Y90.1Very high92.8Very high52 Ų5267.3 Ų67.320%0.20434%0.337CS..EExtended strand (participates in β ladder)trans-130.1156.9172.869.3-82.8000109.9V56 Q57 R59 E67V56-Y65 WeakPolarHBondContact CA-O 3.4Å; Q57-Y65 HydrophobicContact CB-CD1 4.19Å; Q57-Y65 HydrophobicContact CB-CE1 3.58Å; Q57-Y65 HydrophobicContact CB-CE2 3.96Å; Q57-Y65 VanDerWaalsContact CB-CZ 3.46Å; Q57-Y65 HydrophobicContact CG-CE2 4.36Å; Q57-Y65 PolarHBondContact N-O 2.78Å; Q57-Y65 PolarHBondContact NE2-OH 2.67Å; Q57-Y65 PolarHBondContact O-N 2.88Å; R59-Y65 HydrophobicContact CG-CD1 3.71Å; R59-Y65 HydrophobicContact CG-CE1 3.54Å; Y65-E67 HydrophobicContact CD2-CG 4.25Å; Y65-E67 HydrophobicContact CE2-CG 4.04Å
66A93Very high92.8Very high1 Ų164.1 Ų64.11%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-117.6147.9-178.900000110.9L28 Y44 L54 R55L28-A66 HydrophobicContact CB-CB 4.47Å; L28-A66 WeakPolarHBondContact CB-O 3.21Å; L28-A66 HydrophobicContact CD1-CB 4.12Å; L28-A66 PolarHBondContact N-O 2.74Å; Y44-A66 HydrophobicContact CD2-CB 3.93Å; Y44-A66 HydrophobicContact CE2-CB 4.39Å; Y44-A66 HydrophobicContact CG-CB 4.03Å; L54-A66 HydrophobicContact CD1-CB 3.86Å; L54-A66 HydrophobicContact CG-CB 4.33Å; R55-A66 CarbonylContact O-C 3.49Å; R55-A66 WeakPolarHBondContact O-CA 3.18Å
67E95.8Very high93Very high29 Ų2964.2 Ų64.214%0.13632%0.322CS..EExtended strand (participates in β ladder)trans-125.5135171.2-62.1171.415600107.9F26 R55 Q57 Y65F26-E67 CarbonylContact O-C 3.37Å; F26-E67 VanDerWaalsContact O-CA 3.26Å; F26-E67 WeakPolarHBondContact O-CA 3.33Å; R55-E67 PolarHBondContact N-O 3.45Å; R55-E67 PolarHBondContact O-N 3.33Å; Q57-E67 PolarHBondContact NE2-OE1 2.84Å; Q57-E67 PolarHBondContact NE2-OE2 3.36Å; Y65-E67 HydrophobicContact CD2-CG 4.25Å; Y65-E67 HydrophobicContact CE2-CG 4.04Å
68L97.3Very high93.3Very high0 Ų069.5 Ų69.50%034%0.34CS..EExtended strand (participates in β ladder)trans-74.5135.2162.3-66.6176.2000108.3L14 R25 F26 L28 L46 F52 L54 I104L14-L68 HydrophobicContact CD1-CD1 3.9Å; R25-L68 CarbonylContact C-O 3.52Å; R25-L68 VanDerWaalsContact CA-O 3.24Å; R25-L68 WeakPolarHBondContact CA-O 3.39Å; F26-L68 HydrophobicContact CB-CB 4.3Å; F26-L68 HydrophobicContact CD2-CB 4.49Å; F26-L68 PolarHBondContact N-O 2.83Å; F26-L68 PolarHBondContact O-N 3.34Å; L28-L68 HydrophobicContact CD1-CD2 3.96Å; L28-L68 HydrophobicContact CD1-CG 3.76Å; L28-L68 HydrophobicContact CD2-CD1 3.88Å; L28-L68 HydrophobicContact CD2-CG 3.83Å; L28-L68 HydrophobicContact CG-CG 4.02Å; L46-L68 HydrophobicContact CD1-CD2 3.89Å; L46-L68 HydrophobicContact CD2-CD2 3.58Å; L46-L68 HydrophobicContact CG-CD2 4.38Å; F52-L68 HydrophobicContact CB-CD2 4.28Å; F52-L68 HydrophobicContact CD1-CB 3.89Å; F52-L68 HydrophobicContact CD1-CD1 4.39Å; F52-L68 HydrophobicContact CE1-CB 4.47Å; L54-L68 HydrophobicContact CD1-CD2 4.07Å; L68-I104 HydrophobicContact CD1-CD1 4.33Å
69V97.9Very high93.6Very high14 Ų1469.2 Ų69.29%0.08533%0.333CS..EExtended strand (participates in β ladder)trans-114121.8172.2-173.80000107.3T24 R25 F52 A53 R55 E71T24-V69 WeakPolarHBondContact O-CA 3.43Å; R25-V69 HydrophobicContact CG-CG2 4.17Å; F52-V69 WeakPolarHBondContact CA-O 3.23Å; A53-V69 PolarHBondContact N-O 3.49Å; A53-V69 PolarHBondContact O-N 2.82Å; R55-V69 HydrophobicContact CB-CG2 3.82Å; V69-E71 PolarHBondContact O-N 2.88Å
70L98.2Very high94.1Very high0 Ų065.6 Ų65.60%033%0.329CS..EExtended strand (participates in β ladder)trans-73.4113.4175-174.868.5000108.9V20 P22 G23 T24 F26 F52 R72 L74V20-L70 HydrophobicContact CB-CD2 4.31Å; V20-L70 HydrophobicContact CG1-CD2 3.98Å; V20-L70 WeakPolarHBondContact O-CD2 3.32Å; P22-L70 CarbonylContact C-O 3.57Å; P22-L70 WeakPolarHBondContact CA-O 3.39Å; G23-L70 PolarHBondContact N-O 2.92Å; T24-L70 PolarHBondContact O-N 2.78Å; F26-L70 HydrophobicContact CE2-CB 4.25Å; F52-L70 HydrophobicContact CD1-CB 4.34Å; F52-L70 HydrophobicContact CD1-CD1 4.07Å; F52-L70 HydrophobicContact CE1-CB 4.04Å; F52-L70 HydrophobicContact CE1-CD1 3.57Å; F52-L70 HydrophobicContact CE1-CG 4.42Å; F52-L70 HydrophobicContact CE2-CD1 4.14Å; F52-L70 HydrophobicContact CZ-CD1 3.6Å; L70-R72 WeakPolarHBondContact CD1-O 3.17Å; L70-R72 VanDerWaalsContact CG-O 3.27Å; L70-R72 WeakPolarHBondContact CG-O 3.32Å; L70-L74 HydrophobicContact CD1-CD1 4.27Å; L70-L74 HydrophobicContact CD1-CD2 3.86Å; L70-L74 HydrophobicContact CD1-CG 3.81Å; L70-L74 HydrophobicContact CD2-CG 4.42Å
71E97.7Very high94.5Very high114 Ų11459.3 Ų59.353%0.53331%0.307SS..  trans-95.9-26.3-178.7-70-67.3153.700112.3Y51 A53 V69Y51-E71 PolarHBondContact O-N 2.91Å; A53-E71 HydrophobicContact CB-CG 3.67Å; V69-E71 PolarHBondContact O-N 2.88Å
72R97.4Very high95.1Very high121 Ų12155 Ų5546%0.45728%0.284SS..SBendtrans-129.6146.1178.4-61.9179.576.4-168.7-4.3109.8E50 Y51 L70E50-R72 WeakPolarHBondContact O-CD 3.35Å; E50-R72 IonicContact OE2-CZ 2.7Å; E50-R72 IonicContact OE2-NH1 2.87Å; E50-R72 PolarHBondContact OE2-NH1 3.36Å; Y51-R72 HydrophobicContact CD1-CB 4.31Å; Y51-R72 PolarHBondContact O-N 2.97Å; L70-R72 WeakPolarHBondContact CD1-O 3.17Å; L70-R72 VanDerWaalsContact CG-O 3.27Å; L70-R72 WeakPolarHBondContact CG-O 3.32Å
73A97.6Very high95.7Very high61 Ų6157.5 Ų57.550%0.50429%0.286SS..  trans-57.1142175.700000110.3P22P22-A73 HydrophobicContact CG-CB 4.4Å
74L98.1Very high96.3Very high10 Ų1054.7 Ų54.75%0.05227%0.268CS..  trans-84.3159.3168.9-57.9175.2000108.5I16 E18 Y51 F52 L70 L82 V106I16-L74 HydrophobicContact CB-CD1 4.21Å; I16-L74 HydrophobicContact CG2-CD1 3.68Å; E18-L74 HydrophobicContact CB-CB 4.2Å; Y51-L74 HydrophobicContact CD1-CD2 3.77Å; Y51-L74 HydrophobicContact CE1-CD2 4.42Å; Y51-L74 HydrophobicContact CG-CD2 3.87Å; F52-L74 HydrophobicContact CE2-CD2 4.13Å; F52-L74 HydrophobicContact CZ-CD1 4.29Å; F52-L74 HydrophobicContact CZ-CD2 4.36Å; L70-L74 HydrophobicContact CD1-CD1 4.27Å; L70-L74 HydrophobicContact CD1-CD2 3.86Å; L70-L74 HydrophobicContact CD1-CG 3.81Å; L70-L74 HydrophobicContact CD2-CG 4.42Å; L74-L82 HydrophobicContact CD2-CD1 3.86Å; L74-V106 HydrophobicContact CB-CG1 4.15Å; L74-V106 HydrophobicContact CD1-CG1 4.41Å; L74-V106 HydrophobicContact CD1-CG2 4.41Å
75D97.9Very high96.7Very high65 Ų6555 Ų5535%0.34827%0.274SS..  trans-151.6108.5179.5168.8-13.7000105.3E18 E77 R78 E79E18-D75 WeakPolarHBondContact OE2-CA 3.41Å; D75-E77 PolarHBondContact OD1-N 2.9Å; D75-R78 HydrophobicContact CB-CB 4.04Å; D75-R78 VanDerWaalsContact CG-CB 3.41Å; D75-R78 PolarHBondContact O-N 2.98Å; D75-R78 WeakPolarHBondContact OD1-CB 3.33Å; D75-R78 PolarHBondContact OD1-N 3.15Å; D75-R78 WeakPolarHBondContact OD2-CB 3.47Å; D75-E79 PolarHBondContact O-N 2.76Å
76R97.9Very high96.9Very high37 Ų3752.5 Ų52.514%0.1426%0.264CS..THydrogen-bonded Turntrans-72.1-39.2-173.3-172.4-143.866.499.55.5110.3E18 R78 E79 P80 V106 D108 L143 E145E18-R76 WeakPolarHBondContact OE1-CB 3.4Å; E18-R76 VanDerWaalsContact OE2-CB 3.29Å; E18-R76 WeakPolarHBondContact OE2-CB 3.47Å; E18-R76 PolarHBondContact OE2-N 2.87Å; R76-R78 PolarHBondContact O-N 2.84Å; R76-E79 CarbonylContact O-C 3.58Å; R76-E79 PolarHBondContact O-N 2.97Å; R76-P80 HydrophobicContact CG-CB 4.25Å; R76-V106 HydrophobicContact CB-CB 4.28Å; R76-V106 HydrophobicContact CB-CG1 3.78Å; R76-V106 HydrophobicContact CG-CB 4.22Å; R76-V106 HydrophobicContact CG-CG1 4.22Å; R76-D108 IonicContact CZ-OD1 2.92Å; R76-D108 IonicContact NE-OD1 3.85Å; R76-D108 PolarHBondContact NE-OD1 3.07Å; R76-D108 VanDerWaalsContact NE-OD1 3.1Å; R76-L143 PolarHBondContact NH2-O 2.83Å; R76-E145 IonicContact CZ-OE2 3.02Å; R76-E145 IonicContact NH1-OE2 2.85Å; R76-E145 PolarHBondContact NH1-OE2 3.04Å
77E97.9Very high96.9Very high52 Ų5253.9 Ų53.924%0.24327%0.272CS..THydrogen-bonded Turntrans-58.6-32.3176-72.758.6-11800110.9D75 L143D75-E77 PolarHBondContact OD1-N 2.9Å; E77-L143 HydrophobicContact CG-CB 3.66Å
78R96.8Very high96.8Very high160 Ų16052.8 Ų52.860%0.60427%0.268SS*.THydrogen-bonded Turntrans-84.2-48.2175.2-177.1175.7173.2-163.9-9.5113.7D75 R76D75-R78 HydrophobicContact CB-CB 4.04Å; D75-R78 VanDerWaalsContact CG-CB 3.41Å; D75-R78 PolarHBondContact O-N 2.98Å; D75-R78 WeakPolarHBondContact OD1-CB 3.33Å; D75-R78 PolarHBondContact OD1-N 3.15Å; D75-R78 WeakPolarHBondContact OD2-CB 3.47Å; R76-R78 PolarHBondContact O-N 2.84Å
79E97.1Very high96.5Very high72 Ų7254.8 Ų54.834%0.33628%0.279SS..  trans-145.492.8-174.8-168.3165.8-166.600111.3Y51 D75 R76 S81 L82 V106Y51-E79 WeakPolarHBondContact CE2-OE2 3.44Å; Y51-E79 VanDerWaalsContact CZ-OE2 3.3Å; Y51-E79 PolarHBondContact OH-OE2 2.83Å; D75-E79 PolarHBondContact O-N 2.76Å; R76-E79 CarbonylContact O-C 3.58Å; R76-E79 PolarHBondContact O-N 2.97Å; E79-S81 VanDerWaalsContact C-N 3.26Å; E79-S81 PolarHBondContact O-N 3.28Å; E79-L82 HydrophobicContact CG-CD2 3.82Å; E79-L82 VanDerWaalsContact OE1-CD2 3.3Å; E79-L82 WeakPolarHBondContact OE1-CD2 3.29Å; E79-V106 WeakPolarHBondContact O-CG2 3.48Å
80P97.3Very high96.1Very high72 Ų7255 Ų5547%0.46828%0.28SS..SBendtrans-75.1-12.8-170.228.8-36.5000114R76 V106R76-P80 HydrophobicContact CG-CB 4.25Å; P80-V106 PolarHBondContact O-N 3.31Å
81S97.3Very high95.5Very high73 Ų7356.7 Ų56.751%0.5130%0.297SS..EExtended strand (participates in β ladder)trans-152.1142.8179.365.70000112.3E79 I104E79-S81 VanDerWaalsContact C-N 3.26Å; E79-S81 PolarHBondContact O-N 3.28Å; S81-I104 CarbonylContact C-O 3.58Å; S81-I104 VanDerWaalsContact CA-O 3.22Å; S81-I104 WeakPolarHBondContact CA-O 2.92Å
82L96.9Very high94.9Very high11 Ų1151.7 Ų51.76%0.05828%0.276CS..EExtended strand (participates in β ladder)trans-120.3144.6177.1-56.3163.1000110.4Y51 F52 L74 E79 I104Y51-L82 HydrophobicContact CD2-CD1 3.88Å; Y51-L82 HydrophobicContact CD2-CD2 3.69Å; Y51-L82 HydrophobicContact CD2-CG 4.47Å; Y51-L82 HydrophobicContact CE2-CD1 4.4Å; Y51-L82 HydrophobicContact CE2-CD2 3.53Å; Y51-L82 HydrophobicContact CG-CD1 4.34Å; F52-L82 HydrophobicContact CD2-CD1 4.33Å; F52-L82 HydrophobicContact CE2-CD1 3.71Å; L74-L82 HydrophobicContact CD2-CD1 3.86Å; E79-L82 HydrophobicContact CG-CD2 3.82Å; E79-L82 VanDerWaalsContact OE1-CD2 3.3Å; E79-L82 WeakPolarHBondContact OE1-CD2 3.29Å; L82-I104 HydrophobicContact CB-CB 4.14Å; L82-I104 PolarHBondContact N-O 3.35Å; L82-I104 PolarHBondContact O-N 2.66Å
83Q96.5Very high94.3Very high147 Ų14752.9 Ų52.969%0.68730%0.297SS*.EExtended strand (participates in β ladder)trans-118.9117.2172.7-71.1-176.8-14.200109.6I102 H103Q83-I102 WeakPolarHBondContact CA-O 3.3Å; Q83-H103 PolarHBondContact NE2-CD2 3.02Å; Q83-H103 PolarHBondContact NE2-NE2 2.85Å
84L96.4Very high93.7Very high6 Ų655.3 Ų55.33%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-118.7163.2176.5-50.5177.7000109.8L46 S47 N49 F52 I102 I104L46-L84 HydrophobicContact CD1-CB 4.05Å; L46-L84 HydrophobicContact CD1-CD1 4.24Å; L46-L84 HydrophobicContact CD2-CD1 4.45Å; S47-L84 WeakPolarHBondContact OG-CA 3.35Å; N49-L84 HydrophobicContact CB-CD2 3.45Å; N49-L84 VanDerWaalsContact CB-CD2 3.45Å; F52-L84 HydrophobicContact CB-CD1 4.27Å; F52-L84 HydrophobicContact CD2-CD1 3.97Å; F52-L84 HydrophobicContact CG-CD1 4.35Å; L84-I102 HydrophobicContact CB-CB 4.26Å; L84-I102 PolarHBondContact N-O 2.84Å; L84-I102 PolarHBondContact O-N 2.87Å; L84-I104 HydrophobicContact CD1-CD1 3.72Å; L84-I104 HydrophobicContact CG-CD1 4.37Å
85V95.5Very high93.2Very high58 Ų5858 Ų5835%0.35233%0.331SS..EExtended strand (participates in β ladder)trans-126.9121.6172.7-176.90000108.8S47S47-V85 PolarHBondContact N-O 2.91Å; S47-V85 PolarHBondContact OG-N 2.79Å
86L95Very high92.8Very high0 Ų060.2 Ų60.20%034%0.343CS..EExtended strand (participates in β ladder)trans-94.3126.5171.3-177.270.1000108.8W6 L28 Y44 L54 S99 L100 I102W6-L86 HydrophobicContact CH2-CD2 3.65Å; W6-L86 HydrophobicContact CH2-CG 3.96Å; W6-L86 HydrophobicContact CZ2-CD2 3.86Å; L28-L86 HydrophobicContact CB-CD2 4.38Å; L28-L86 HydrophobicContact CD1-CD1 3.99Å; L28-L86 HydrophobicContact CD1-CD2 3.86Å; Y44-L86 HydrophobicContact CD1-CD1 4.3Å; Y44-L86 HydrophobicContact CD1-CD2 4.27Å; Y44-L86 HydrophobicContact CD1-CG 4.27Å; L54-L86 HydrophobicContact CD1-CD1 3.8Å; L54-L86 HydrophobicContact CD2-CD1 3.92Å; L86-S99 CarbonylContact O-C 3.52Å; L86-S99 VanDerWaalsContact O-CA 3.32Å; L86-S99 WeakPolarHBondContact O-CA 3.38Å; L86-L100 PolarHBondContact N-O 2.9Å; L86-L100 PolarHBondContact O-N 3.34Å; L86-I102 HydrophobicContact CB-CD1 3.84Å; L86-I102 HydrophobicContact CB-CG1 4.41Å
87T93.4Very high92.4Very high29 Ų2962.2 Ų62.218%0.17836%0.362CS..EExtended strand (participates in β ladder)trans-117.5122.6178.6-57.70000109.8Y44 E45 L89 A98 S99Y44-T87 CarbonylContact C-O 3.55Å; Y44-T87 VanDerWaalsContact CA-O 3.25Å; Y44-T87 WeakPolarHBondContact CA-O 3.4Å; E45-T87 PolarHBondContact N-O 3.24Å; E45-T87 PolarHBondContact O-N 2.83Å; T87-L89 HydrophobicContact CG2-CG 4.36Å; T87-A98 CarbonylContact C-O 3.21Å; T87-A98 WeakPolarHBondContact CA-O 3.49Å; T87-S99 PolarHBondContact OG1-OG 3.36Å; T87-S99 VanDerWaalsContact OG1-OG 3.06Å
88A92.6Very high92Very high6 Ų661.3 Ų61.35%0.0536%0.364CS..EExtended strand (participates in β ladder)trans-91.5136.7171.500000109.5W6 A31 L41 Y44 S97 A98W6-A88 HydrophobicContact CH2-CB 4Å; W6-A88 HydrophobicContact CZ3-CB 3.8Å; A31-A88 HydrophobicContact CB-CB 3.67Å; L41-A88 HydrophobicContact CD1-CB 3.74Å; Y44-A88 HydrophobicContact CD1-CB 3.99Å; Y44-A88 HydrophobicContact CE1-CB 4.02Å; A88-S97 CarbonylContact O-C 3.53Å; A88-S97 WeakPolarHBondContact O-CA 3.27Å; A88-S97 WeakPolarHBondContact O-CB 3.47Å; A88-A98 PolarHBondContact N-O 2.79Å; A88-A98 PolarHBondContact O-N 3.14Å
89L90.9Very high91.7Very high42 Ų4257.2 Ų57.222%0.2236%0.36CS..EExtended strand (participates in β ladder)trans-127132.3-176.2-70.1142.9000110.3Q42 T43 E45 T87Q42-L89 PolarHBondContact N-O 3.17Å; T43-L89 HydrophobicContact CG2-CB 4.09Å; T43-L89 HydrophobicContact CG2-CD1 3.99Å; T43-L89 PolarHBondContact N-O 3.36Å; T43-L89 PolarHBondContact O-N 3.36Å; E45-L89 HydrophobicContact CB-CD1 4.31Å; E45-L89 VanDerWaalsContact CD-CD1 3.41Å; E45-L89 HydrophobicContact CG-CD1 3.66Å; T87-L89 HydrophobicContact CG2-CG 4.36Å
90D89.5Confident91.4Very high19 Ų1954 Ų5410%0.10235%0.345CS..EExtended strand (participates in β ladder)trans-85.1176.9167.17720.8000111.4G92 A95 L96D90-G92 PolarHBondContact OD1-N 3.34Å; D90-A95 VanDerWaalsContact OD1-CA 3.25Å; D90-A95 WeakPolarHBondContact OD1-CA 3.36Å; D90-L96 VanDerWaalsContact CG-N 3.27Å; D90-L96 PolarHBondContact N-O 2.69Å; D90-L96 VanDerWaalsContact N-O 3.07Å; D90-L96 PolarHBondContact OD1-N 3.1Å; D90-L96 WeakPolarHBondContact OD2-CB 3.24Å; D90-L96 PolarHBondContact OD2-N 2.75Å
91G86.6Confident91.3Very high35 Ų3553.1 Ų53.136%0.36134%0.339SS..  trans-111.220.3174.900000112.9S38 Q42S38-G91 CarbonylContact O-C 3.09Å; S38-G91 WeakPolarHBondContact O-CA 3.44Å; S38-G91 PolarHBondContact O-N 3.44Å; Q42-G91 VanDerWaalsContact CG-N 3.26Å
92G84.6Confident91.2Very high10 Ų1049.7 Ų49.710%0.10332%0.315CS..  trans-68.9169.418000000112.9D90 P94 A95D90-G92 PolarHBondContact OD1-N 3.34Å; G92-P94 VanDerWaalsContact C-C 3.48Å; G92-P94 CarbonylContact C-O 3.33Å; G92-P94 CarbonylContact O-C 3.56Å; G92-A95 WeakPolarHBondContact O-CA 3.38Å; G92-A95 PolarHBondContact O-N 3.33Å
93T85.8Confident91.1Very high145 Ų14551.9 Ų51.989%0.8933%0.325SS*.SBendtrans-130.6104.4168-55.80000108.6
94P84.3Confident91.2Very high112 Ų11245 Ų4573%0.72729%0.293SS*.SBendcis-69.1150.8331.7-36.1000112.7G92G92-P94 VanDerWaalsContact C-C 3.48Å; G92-P94 CarbonylContact C-O 3.33Å; G92-P94 CarbonylContact O-C 3.56Å
95A87.4Confident91.2Very high67 Ų6749.7 Ų49.755%0.55431%0.313SS*.  trans-73.9137.1174.800000110.3D90 G92D90-A95 VanDerWaalsContact OD1-CA 3.25Å; D90-A95 WeakPolarHBondContact OD1-CA 3.36Å; G92-A95 WeakPolarHBondContact O-CA 3.38Å; G92-A95 PolarHBondContact O-N 3.33Å
96L89.1Confident91.4Very high111 Ų11147.1 Ų47.158%0.58130%0.298SS*.  trans-108.8154.1173.3-51175.9000110.7D90D90-L96 VanDerWaalsContact CG-N 3.27Å; D90-L96 PolarHBondContact N-O 2.69Å; D90-L96 VanDerWaalsContact N-O 3.07Å; D90-L96 PolarHBondContact OD1-N 3.1Å; D90-L96 WeakPolarHBondContact OD2-CB 3.24Å; D90-L96 PolarHBondContact OD2-N 2.75Å
97S90.2Very high91.5Very high79 Ų7949.9 Ų49.955%0.55231%0.312SS*.EExtended strand (participates in β ladder)trans-142.4150.6179.763.50000111.8A88A88-S97 CarbonylContact O-C 3.53Å; A88-S97 WeakPolarHBondContact O-CA 3.27Å; A88-S97 WeakPolarHBondContact O-CB 3.47Å
98A89.6Confident91.7Very high34 Ų3450.1 Ų50.128%0.28131%0.312SS..EExtended strand (participates in β ladder)trans-125.6136.6169.300000109.6W6 T87 A88W6-A98 HydrophobicContact CE3-CB 3.94Å; W6-A98 HydrophobicContact CZ3-CB 4.41Å; T87-A98 CarbonylContact C-O 3.21Å; T87-A98 WeakPolarHBondContact CA-O 3.49Å; A88-A98 PolarHBondContact N-O 2.79Å; A88-A98 PolarHBondContact O-N 3.14Å
99S90.9Very high91.9Very high74 Ų7450.6 Ų50.652%0.51732%0.316SS..EExtended strand (participates in β ladder)trans-115.6140179-60.40000111.1L86 T87L86-S99 CarbonylContact O-C 3.52Å; L86-S99 VanDerWaalsContact O-CA 3.32Å; L86-S99 WeakPolarHBondContact O-CA 3.38Å; T87-S99 PolarHBondContact OG1-OG 3.36Å; T87-S99 VanDerWaalsContact OG1-OG 3.06Å
100L90.4Very high92.2Very high3 Ų350.1 Ų50.12%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-127.5117.1-179.9179.258.4000109.6A5 W6 L10 M12 L86A5-L100 WeakPolarHBondContact O-CD1 3.41Å; W6-L100 HydrophobicContact CD2-CB 4.43Å; W6-L100 HydrophobicContact CD2-CD2 4.32Å; W6-L100 HydrophobicContact CE3-CB 4.01Å; W6-L100 HydrophobicContact CH2-CB 4.11Å; W6-L100 HydrophobicContact CH2-CD2 4.46Å; W6-L100 HydrophobicContact CZ2-CB 4.5Å; W6-L100 HydrophobicContact CZ2-CD2 4.04Å; W6-L100 HydrophobicContact CZ3-CB 3.84Å; L10-L100 WeakPolarHBondContact O-CD1 3.29Å; M12-L100 HydrophobicContact CB-CD2 4.28Å; M12-L100 HydrophobicContact CB-CG 4.45Å; M12-L100 HydrophobicContact CE-CD2 3.93Å; L86-L100 PolarHBondContact N-O 2.9Å; L86-L100 PolarHBondContact O-N 3.34Å
101P93.7Very high92.5Very high55 Ų5553.5 Ų53.536%0.35733%0.331SS..EExtended strand (participates in β ladder)trans-65.2134.9170.4-20.233000111.2M12M12-P101 PolarHBondContact N-O 2.98Å
102I95.1Very high92.9Very high1 Ų153.9 Ų53.91%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-113.6117.2172.5-55.1172.2000107.8M12 L14 L28 L46 Q83 L84 L86 I104M12-I102 HydrophobicContact CB-CG1 4.15Å; M12-I102 HydrophobicContact CB-CG2 4.48Å; M12-I102 HydrophobicContact CG-CG2 4.47Å; M12-I102 CarbonylContact O-C 3.5Å; M12-I102 WeakPolarHBondContact O-CA 3.07Å; M12-I102 HydrophobicContact SD-CD1 4.41Å; M12-I102 HydrophobicContact SD-CG1 4.22Å; M12-I102 HydrophobicContact SD-CG2 4.47Å; L14-I102 HydrophobicContact CD1-CG2 3.85Å; L14-I102 HydrophobicContact CG-CG2 4.19Å; L28-I102 HydrophobicContact CD1-CD1 4.37Å; L28-I102 HydrophobicContact CD2-CD1 4.12Å; L46-I102 HydrophobicContact CD1-CD1 4.48Å; Q83-I102 WeakPolarHBondContact CA-O 3.3Å; L84-I102 HydrophobicContact CB-CB 4.26Å; L84-I102 PolarHBondContact N-O 2.84Å; L84-I102 PolarHBondContact O-N 2.87Å; L86-I102 HydrophobicContact CB-CD1 3.84Å; L86-I102 HydrophobicContact CB-CG1 4.41Å; I102-I104 HydrophobicContact CG2-CD1 4.44Å; I102-I104 HydrophobicContact CG2-CG1 3.88Å
103H96Very high93.5Very high56 Ų5655 Ų5526%0.25933%0.334SS..EExtended strand (participates in β ladder)trans-98.2114.2171.1-73.496.3000109.2E11 M12 K13 L14 Q83E11-H103 IonicContact OE2-CE1 3.91Å; E11-H103 PolarHBondContact OE2-CE1 3.23Å; E11-H103 IonicContact OE2-CG 3.67Å; E11-H103 IonicContact OE2-ND1 3.02Å; E11-H103 PolarHBondContact OE2-ND1 2.98Å; M12-H103 PolarHBondContact O-N 2.8Å; K13-H103 WeakPolarHBondContact CA-O 3.15Å; K13-H103 HydrophobicContact CG-CB 4.45Å; L14-H103 PolarHBondContact N-O 3.42Å; Q83-H103 PolarHBondContact NE2-CD2 3.02Å; Q83-H103 PolarHBondContact NE2-NE2 2.85Å
104I97.6Very high94.1Very high2 Ų248.2 Ų48.21%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-103.1118.3175.9-51.4179.6000107.5L14 I16 F52 L68 S81 L82 L84 I102L14-I104 HydrophobicContact CB-CG1 4.3Å; L14-I104 HydrophobicContact CD1-CG1 4.41Å; L14-I104 CarbonylContact O-C 3.51Å; L14-I104 WeakPolarHBondContact O-CA 3.05Å; I16-I104 HydrophobicContact CB-CG2 4.19Å; I16-I104 HydrophobicContact CD1-CD1 4.46Å; I16-I104 HydrophobicContact CD1-CG2 3.8Å; I16-I104 HydrophobicContact CG1-CG2 4.01Å; F52-I104 HydrophobicContact CD2-CD1 3.96Å; F52-I104 HydrophobicContact CE2-CD1 3.48Å; F52-I104 VanDerWaalsContact CE2-CD1 3.48Å; F52-I104 HydrophobicContact CZ-CD1 3.87Å; L68-I104 HydrophobicContact CD1-CD1 4.33Å; S81-I104 CarbonylContact C-O 3.58Å; S81-I104 VanDerWaalsContact CA-O 3.22Å; S81-I104 WeakPolarHBondContact CA-O 2.92Å; L82-I104 HydrophobicContact CB-CB 4.14Å; L82-I104 PolarHBondContact N-O 3.35Å; L82-I104 PolarHBondContact O-N 2.66Å; L84-I104 HydrophobicContact CD1-CD1 3.72Å; L84-I104 HydrophobicContact CG-CD1 4.37Å; I102-I104 HydrophobicContact CG2-CD1 4.44Å; I102-I104 HydrophobicContact CG2-CG1 3.88Å
105K98.1Very high94.8Very high106 Ų10647.2 Ų47.246%0.46128%0.284SS..EExtended strand (participates in β ladder)trans-89.9122.9166.1-176.1-177.6178-170.20108L14 E15 I16 L107L14-K105 PolarHBondContact O-N 2.89Å; E15-K105 WeakPolarHBondContact CA-O 3.38Å; E15-K105 HydrophobicContact CG-CB 4.35Å; I16-K105 PolarHBondContact N-O 3.24Å; K105-L107 HydrophobicContact CD-CD2 4.29Å; K105-L107 HydrophobicContact CG-CD2 4.48Å
106V98.2Very high95.3Very high4 Ų445 Ų452%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-79.8124.8173.3-171.30000107.6I16 E18 L74 R76 E79 P80I16-V106 CarbonylContact O-C 3.58Å; I16-V106 VanDerWaalsContact O-CA 3.29Å; I16-V106 WeakPolarHBondContact O-CA 3.4Å; E18-V106 HydrophobicContact CB-CG1 3.82Å; L74-V106 HydrophobicContact CB-CG1 4.15Å; L74-V106 HydrophobicContact CD1-CG1 4.41Å; L74-V106 HydrophobicContact CD1-CG2 4.41Å; R76-V106 HydrophobicContact CB-CB 4.28Å; R76-V106 HydrophobicContact CB-CG1 3.78Å; R76-V106 HydrophobicContact CG-CB 4.22Å; R76-V106 HydrophobicContact CG-CG1 4.22Å; E79-V106 WeakPolarHBondContact O-CG2 3.48Å; P80-V106 PolarHBondContact O-N 3.31Å
107L97.9Very high95.8Very high57 Ų5744.1 Ų44.130%0.29826%0.258SS..EExtended strand (participates in β ladder)trans-91.1135.6177.1-57.1177.9000109.8E15 I16 S17 E18 K105E15-L107 HydrophobicContact CB-CD1 3.91Å; E15-L107 HydrophobicContact CB-CD2 4.08Å; E15-L107 HydrophobicContact CB-CG 4.01Å; I16-L107 PolarHBondContact O-N 2.91Å; S17-L107 WeakPolarHBondContact CA-O 3.44Å; E18-L107 PolarHBondContact N-O 3.42Å; K105-L107 HydrophobicContact CD-CD2 4.29Å; K105-L107 HydrophobicContact CG-CD2 4.48Å
108D97.6Very high96.1Very high35 Ų3544.9 Ų44.919%0.18725%0.253CS..PPolyproline II helixtrans-57.1135.4177.2-168.881.1000112.7E18 R76 E145 N148E18-D108 VanDerWaalsContact OE1-CA 3.26Å; E18-D108 WeakPolarHBondContact OE1-CA 3.21Å; R76-D108 IonicContact CZ-OD1 2.92Å; R76-D108 IonicContact NE-OD1 3.85Å; R76-D108 PolarHBondContact NE-OD1 3.07Å; R76-D108 VanDerWaalsContact NE-OD1 3.1Å; D108-E145 HydrophobicContact CB-CB 3.98Å; D108-E145 VanDerWaalsContact CG-N 3.3Å; D108-E145 WeakPolarHBondContact OD1-CB 3.27Å; D108-E145 PolarHBondContact OD1-N 2.92Å; D108-E145 PolarHBondContact OD2-N 3.16Å; D108-N148 WeakPolarHBondContact OD2-CB 3.44Å; D108-N148 PolarHBondContact OD2-ND2 3.24Å
109A96.7Very high96.5Very high15 Ų1548 Ų4812%0.12427%0.273CS..  trans-115.8154163.100000109.1E18 A19 D111E18-A109 HydrophobicContact CG-CB 3.65Å; E18-A109 PolarHBondContact OE1-N 2.83Å; A19-A109 HydrophobicContact CB-CB 3.79Å; A109-D111 VanDerWaalsContact C-N 3.27Å; A109-D111 PolarHBondContact O-N 2.76Å
110N97Very high96.8Very high32 Ų3247.7 Ų47.717%0.17126%0.264CS..SBendtrans-81.874.3176.5-162.794.6000110.2D144 N148 D198N110-D144 WeakPolarHBondContact CA-OD2 3.11Å; N110-N148 HydrophobicContact CB-CB 4.12Å; N110-N148 PolarHBondContact N-ND2 3.34Å; N110-N148 WeakPolarHBondContact OD1-CA 2.96Å; N110-N148 WeakPolarHBondContact OD1-CB 3.28Å; N110-N148 VanDerWaalsContact OD1-CG 3.3Å; N110-N148 PolarHBondContact OD1-O 3.31Å; N110-N148 PolarHBondContact OD1-OD1 3.36Å; N110-D198 PolarHBondContact ND2-OD2 3.49Å; N110-D198 VanDerWaalsContact ND2-OD2 3.14Å
111D95.4Very high97.2Very high90 Ų9047.9 Ų47.948%0.48127%0.265SS..  trans-118.34-176.175.3-19.1000114.3A109 D144A109-D111 VanDerWaalsContact C-N 3.27Å; A109-D111 PolarHBondContact O-N 2.76Å; D111-D144 PolarHBondContact N-OD2 3.06Å
112N96.4Very high97.4Very high43 Ų4352.7 Ų52.723%0.2328%0.276CS..  trans-108.9133.3164.4-62.7-89.1000110.5L143 D144N112-L143 HydrophobicContact CB-CB 4.2Å; N112-D144 WeakPolarHBondContact CB-OD1 3.35Å; N112-D144 PolarHBondContact N-OD1 3.34Å; N112-D144 PolarHBondContact N-OD2 3Å; N112-D144 PolarHBondContact ND2-OD1 3.23Å
113A96.9Very high97.6Very high35 Ų3553.2 Ų53.229%0.28928%0.281SS..  trans-86.9152.4171.100000110.4V115 E204A113-V115 WeakPolarHBondContact O-CG2 3.05Å; A113-V115 PolarHBondContact O-N 3.14Å; A113-E204 HydrophobicContact CB-CB 3.98Å; A113-E204 WeakPolarHBondContact CB-OE2 3.28Å
114P98.3Very high97.7Very high1 Ų159.5 Ų59.51%0.00630%0.302CS..  trans-57.4135.9171.3-24.331.3000111.2A140 D142 I151 A196 D198 A206P114-A140 HydrophobicContact CB-CB 4.49Å; P114-D142 WeakPolarHBondContact CA-OD2 3.4Å; P114-D142 WeakPolarHBondContact CD-OD2 3.15Å; P114-D142 VanDerWaalsContact CG-OD2 3.23Å; P114-D142 WeakPolarHBondContact CG-OD2 3.1Å; P114-I151 HydrophobicContact CB-CD1 4.17Å; P114-I151 HydrophobicContact CB-CG1 4.19Å; P114-I151 HydrophobicContact CG-CG1 4.31Å; P114-A196 HydrophobicContact CB-CB 4.05Å; P114-D198 HydrophobicContact CG-CB 4.14Å; P114-A206 WeakPolarHBondContact O-CB 3.14Å
115V98.2Very high97.7Very high91 Ų9159.9 Ų59.955%0.55230%0.304SS*.EExtended strand (participates in β ladder)trans-119.5121.3178.8-177.90000110.4A113 A140 T141A113-V115 WeakPolarHBondContact O-CG2 3.05Å; A113-V115 PolarHBondContact O-N 3.14Å; V115-A140 CarbonylContact O-C 3.55Å; V115-A140 WeakPolarHBondContact O-CA 3.12Å; V115-T141 PolarHBondContact N-O 3.31Å; V115-T141 PolarHBondContact O-N 3.38Å
116F98.5Very high97.7Very high20 Ų2059 Ų599%0.08830%0.304CS..EExtended strand (participates in β ladder)trans-70.3139.8170.6-74.3-81.2000111.4Q118 Y121 V138 L139 A140 Y153 I194 A196 A206 C208F116-Q118 WeakPolarHBondContact CB-O 3.49Å; F116-Q118 PolarHBondContact O-N 2.8Å; F116-Y121 HydrophobicContact CD1-CE2 4.44Å; F116-V138 HydrophobicContact CD1-CB 4.29Å; F116-V138 HydrophobicContact CE1-CB 3.98Å; F116-V138 HydrophobicContact CE1-CG2 3.92Å; F116-L139 CarbonylContact C-O 3.5Å; F116-L139 WeakPolarHBondContact CA-O 3.23Å; F116-A140 HydrophobicContact CD1-CB 3.83Å; F116-A140 HydrophobicContact CD2-CB 4.5Å; F116-A140 HydrophobicContact CE1-CB 4Å; F116-A140 HydrophobicContact CG-CB 4.1Å; F116-A140 HydrophobicContact CZ-CB 4.42Å; F116-Y153 HydrophobicContact CE1-CD1 4.11Å; F116-Y153 AromaticContact CE1-CE1 3.79Å; F116-Y153 HydrophobicContact CE1-CE1 3.79Å; F116-Y153 HydrophobicContact CZ-CD1 4.31Å; F116-Y153 HydrophobicContact CZ-CE1 4.3Å; F116-I194 HydrophobicContact CZ-CG2 4.15Å; F116-A196 HydrophobicContact CE1-CB 4.14Å; F116-A196 HydrophobicContact CE2-CB 3.62Å; F116-A196 HydrophobicContact CZ-CB 3.41Å; F116-A196 VanDerWaalsContact CZ-CB 3.41Å; F116-A206 HydrophobicContact CD2-CB 4.14Å; F116-A206 HydrophobicContact CE2-CB 4.31Å; F116-C208 HydrophobicContact CB-CB 4.18Å; F116-C208 HydrophobicContact CD1-CB 4.01Å; F116-C208 HydrophobicContact CD2-CB 3.75Å; F116-C208 HydrophobicContact CE1-CB 4.31Å; F116-C208 VanDerWaalsContact CE1-SG 3.59Å; F116-C208 HydrophobicContact CE2-CB 4.06Å; F116-C208 HydrophobicContact CG-CB 3.72Å; F116-C208 HydrophobicContact CZ-CB 4.33Å
117N98.1Very high97.7Very high94 Ų9459.2 Ų59.250%0.50331%0.305SS..SBendtrans-66.7-17.9175.874-9.6000113.2Y121 L139N117-Y121 PolarHBondContact OD1-OH 3.23Å; N117-L139 PolarHBondContact N-O 3.44Å
118Q98Very high97.6Very high95 Ų9561.4 Ų61.444%0.44432%0.317SS..  trans-142.7139176.8-61.417722.500109.8F116 L120 Y121F116-Q118 WeakPolarHBondContact CB-O 3.49Å; F116-Q118 PolarHBondContact O-N 2.8Å; Q118-L120 PolarHBondContact OE1-O 3.21Å; Q118-Y121 HydrophobicContact CB-CD2 4.29Å; Q118-Y121 HydrophobicContact CB-CE1 4.17Å; Q118-Y121 HydrophobicContact CB-CE2 3.9Å; Q118-Y121 HydrophobicContact CG-CE1 4.46Å; Q118-Y121 WeakPolarHBondContact O-CE2 3.22Å
119S97.1Very high97.6Very high100 Ų10060.5 Ų60.570%0.69931%0.314SS*.SBendtrans-78.1-25.2172.457.60000112.9K209S119-K209 PolarHBondContact O-N 2.97Å
120L98.2Very high97.7Very high66 Ų6664.2 Ų64.235%0.34634%0.337SS..EExtended strand (participates in β ladder)trans-136.8121.4179.5177.265.2000111.2Q118 R122 K209 L211Q118-L120 PolarHBondContact OE1-O 3.21Å; L120-R122 HydrophobicContact CG-CG 4.48Å; L120-K209 CarbonylContact C-O 3.53Å; L120-K209 VanDerWaalsContact CA-O 3.31Å; L120-K209 WeakPolarHBondContact CA-O 3.43Å; L120-K209 HydrophobicContact CD1-CB 3.94Å; L120-K209 HydrophobicContact CD1-CD 3.99Å; L120-K209 HydrophobicContact CD1-CG 3.9Å; L120-L211 HydrophobicContact CD1-CB 4.24Å
121Y98.5Very high97.7Very high8 Ų866.7 Ų66.73%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-103.6144.2171.1-60.7-104.3000109.6F116 N117 Q118 V136 V138 L139 C208 K209 V210 L211F116-Y121 HydrophobicContact CD1-CE2 4.44Å; N117-Y121 PolarHBondContact OD1-OH 3.23Å; Q118-Y121 HydrophobicContact CB-CD2 4.29Å; Q118-Y121 HydrophobicContact CB-CE1 4.17Å; Q118-Y121 HydrophobicContact CB-CE2 3.9Å; Q118-Y121 HydrophobicContact CG-CE1 4.46Å; Q118-Y121 WeakPolarHBondContact O-CE2 3.22Å; Y121-V136 HydrophobicContact CD1-CG2 4.04Å; Y121-V138 HydrophobicContact CD1-CG1 4.17Å; Y121-V138 HydrophobicContact CD2-CG1 3.81Å; Y121-V138 HydrophobicContact CE1-CB 4.23Å; Y121-V138 HydrophobicContact CE1-CG1 4.06Å; Y121-V138 HydrophobicContact CE2-CB 4.09Å; Y121-V138 HydrophobicContact CE2-CG1 3.71Å; Y121-V138 HydrophobicContact CG-CG1 4.03Å; Y121-L139 PolarHBondContact OH-N 3.01Å; Y121-L139 PolarHBondContact OH-O 3.06Å; Y121-C208 HydrophobicContact CD2-CB 4.31Å; Y121-C208 HydrophobicContact CE2-CB 3.9Å; Y121-K209 PolarHBondContact N-O 2.91Å; Y121-V210 HydrophobicContact CD2-CG2 4.39Å; Y121-V210 WeakPolarHBondContact O-CA 3.37Å; Y121-L211 PolarHBondContact O-N 3.17Å
122R98.4Very high97.8Very high156 Ų15664.7 Ų64.759%0.58936%0.358SS*.EExtended strand (participates in β ladder)trans-124.6134.9176.8-68177.9174.3-94.9-2.5109.9L120 L211 E213L120-R122 HydrophobicContact CG-CG 4.48Å; R122-L211 WeakPolarHBondContact CA-O 3.13Å; R122-L211 HydrophobicContact CG-CB 4.38Å; R122-L211 VanDerWaalsContact NH1-CD2 3.32Å; R122-E213 IonicContact NH1-OE1 2.76Å
123A98.1Very high97.9Very high12 Ų1264.9 Ų64.910%0.09936%0.36CS..EExtended strand (participates in β ladder)trans-139.5154.4176.900000110.5V135 V136 L211 V212 E213A123-V135 HydrophobicContact CB-CG1 3.66Å; A123-V136 HydrophobicContact CB-CB 4.25Å; A123-L211 PolarHBondContact N-O 3.31Å; A123-V212 WeakPolarHBondContact O-CA 3.31Å; A123-E213 PolarHBondContact O-N 3.16Å
124R98.1Very high98Very high188 Ų18871.5 Ų71.571%0.70938%0.378SS*.EExtended strand (participates in β ladder)trans-122.8134.2173.1-72.6-179.7174.1-164.2-5.1109.1E213 V215R124-E213 VanDerWaalsContact CA-O 3.31Å; R124-E213 WeakPolarHBondContact CA-O 3.38Å; R124-E213 HydrophobicContact CG-CB 3.92Å; R124-E213 IonicContact CZ-OE2 3.21Å; R124-E213 IonicContact NE-OE2 3.1Å; R124-E213 PolarHBondContact NE-OE2 3.44Å; R124-E213 IonicContact NH2-OE2 2.83Å; R124-E213 PolarHBondContact NH2-OE2 2.76Å; R124-V215 HydrophobicContact CB-CG2 4.19Å
125V97.9Very high98Very high10 Ų1072.4 Ų72.46%0.06138%0.383CS..EExtended strand (participates in β ladder)trans-137.2141.4178.9-63.90000109.4V135 I178 L182 V212 E213 V214 V215V125-V135 HydrophobicContact CG1-CB 4.39Å; V125-V135 HydrophobicContact CG1-CG1 3.98Å; V125-V135 HydrophobicContact CG1-CG2 4.09Å; V125-I178 HydrophobicContact CB-CD1 4.2Å; V125-I178 HydrophobicContact CG1-CD1 4.34Å; V125-L182 HydrophobicContact CB-CD1 4.42Å; V125-L182 HydrophobicContact CG2-CD1 3.44Å; V125-L182 VanDerWaalsContact CG2-CD1 3.44Å; V125-V212 HydrophobicContact CG1-CG1 4.28Å; V125-V212 HydrophobicContact CG2-CG1 3.49Å; V125-V212 VanDerWaalsContact CG2-CG1 3.49Å; V125-E213 PolarHBondContact N-O 3.09Å; V125-V214 CarbonylContact O-C 3.56Å; V125-V214 WeakPolarHBondContact O-CA 3.43Å; V125-V215 PolarHBondContact O-N 3.47Å
126L98.1Very high98Very high87 Ų8769.4 Ų69.446%0.45537%0.365SS..EExtended strand (participates in β ladder)trans-69.5146.4170.3-63.7165.7000109.1D128 A129 V215 V217L126-D128 VanDerWaalsContact C-N 3.27Å; L126-D128 VanDerWaalsContact CB-OD1 3.25Å; L126-D128 WeakPolarHBondContact CB-OD1 3.35Å; L126-D128 PolarHBondContact O-N 3.14Å; L126-A129 HydrophobicContact CB-CB 4.47Å; L126-A129 WeakPolarHBondContact O-CB 3.3Å; L126-A129 PolarHBondContact O-N 3.35Å; L126-V215 HydrophobicContact CD2-CB 4.01Å; L126-V215 HydrophobicContact CD2-CG1 3.85Å; L126-V217 HydrophobicContact CB-CG2 4.32Å; L126-V217 HydrophobicContact CD2-CG2 3.96Å
127E97.9Very high98Very high9 Ų972.9 Ų72.94%0.04238%0.382CS..THydrogen-bonded Turntrans-64.8-32.8178.172.4-171.6122.600113.2A129 L182 F184 V214 V215 D216 V217E127-A129 PolarHBondContact O-N 3.46Å; E127-L182 HydrophobicContact CB-CB 4.49Å; E127-F184 HydrophobicContact CB-CB 4.33Å; E127-F184 WeakPolarHBondContact OE2-CB 3.04Å; E127-F184 PolarHBondContact OE2-N 3Å; E127-V214 HydrophobicContact CB-CG1 3.64Å; E127-V215 PolarHBondContact N-O 2.94Å; E127-V215 VanDerWaalsContact N-O 3.16Å; E127-D216 WeakPolarHBondContact OE1-CA 3.47Å; E127-V217 HydrophobicContact CG-CB 4.09Å; E127-V217 HydrophobicContact CG-CG2 4.14Å; E127-V217 WeakPolarHBondContact OE1-CA 3.31Å; E127-V217 PolarHBondContact OE1-N 3.44Å
128D96.7Very high98Very high103 Ų10368.4 Ų68.455%0.55136%0.358SS*.THydrogen-bonded Turntrans-82.23.8179.275.1-20.7000113.5L126L126-D128 VanDerWaalsContact C-N 3.27Å; L126-D128 VanDerWaalsContact CB-OD1 3.25Å; L126-D128 WeakPolarHBondContact CB-OD1 3.35Å; L126-D128 PolarHBondContact O-N 3.14Å
129A97.5Very high98Very high16 Ų1667.8 Ų67.813%0.13236%0.357CS..PPolyproline II helixtrans-61.3131.2-17800000111.2L126 E127 T133 I178L126-A129 HydrophobicContact CB-CB 4.47Å; L126-A129 WeakPolarHBondContact O-CB 3.3Å; L126-A129 PolarHBondContact O-N 3.35Å; E127-A129 PolarHBondContact O-N 3.46Å; A129-T133 HydrophobicContact CB-CG2 4.33Å; A129-I178 HydrophobicContact CB-CD1 3.48Å; A129-I178 VanDerWaalsContact CB-CD1 3.48Å
130P97.6Very high98.1Very high92 Ų9263.3 Ų63.360%0.59733%0.326SS*.PPolyproline II helixtrans-69.4155-174.727.4-34.6000112.3G132 T133P130-G132 PolarHBondContact O-N 3.31Å; P130-T133 WeakPolarHBondContact CD-OG1 3.38Å; P130-T133 VanDerWaalsContact O-CB 3.29Å; P130-T133 WeakPolarHBondContact O-CB 3.22Å; P130-T133 PolarHBondContact O-N 3.23Å; P130-T133 VanDerWaalsContact O-N 3.11Å; P130-T133 PolarHBondContact O-OG1 3.25Å
131S97.8Very high98.1Very high84 Ų8464.1 Ų64.159%0.58733%0.334SS*.THydrogen-bonded Turntrans-53.7137.3169.9-56.10000111K179S131-K179 PolarHBondContact OG-O 2.88Å
132G97.9Very high98.1Very high49 Ų4964.8 Ų64.851%0.50534%0.338SS..THydrogen-bonded Turntrans92.3-8.8-173.800000114.3P130 R134 I178P130-G132 PolarHBondContact O-N 3.31Å; G132-R134 PolarHBondContact O-N 2.75Å; G132-I178 PolarHBondContact N-O 2.97Å
133T98.5Very high98.1Very high46 Ų4662.6 Ų62.628%0.28234%0.337SS..  trans-58.9129.5173.9-60.90000110.5A129 P130 T177 I178A129-T133 HydrophobicContact CB-CG2 4.33Å; P130-T133 WeakPolarHBondContact CD-OG1 3.38Å; P130-T133 VanDerWaalsContact O-CB 3.29Å; P130-T133 WeakPolarHBondContact O-CB 3.22Å; P130-T133 PolarHBondContact O-N 3.23Å; P130-T133 VanDerWaalsContact O-N 3.11Å; P130-T133 PolarHBondContact O-OG1 3.25Å; T133-T177 CarbonylContact O-C 3.53Å; T133-T177 WeakPolarHBondContact O-CA 3.41Å; T133-T177 WeakPolarHBondContact O-CB 3.41Å; T133-I178 HydrophobicContact CG2-CD1 4.31Å; T133-I178 PolarHBondContact O-N 3.02Å
134R98.4Very high98.1Very high174 Ų17462.5 Ų62.566%0.65734%0.335SS*.EExtended strand (participates in β ladder)trans-73.7125.8177.7-66.1171.267.2-179.81109.7G132 M175 T177G132-R134 PolarHBondContact O-N 2.75Å; R134-M175 HydrophobicContact CB-SD 3.87Å; R134-M175 HydrophobicContact CG-CG 4.33Å; R134-M175 HydrophobicContact CG-SD 3.82Å; R134-M175 VanDerWaalsContact NE-CE 3.3Å; R134-M175 PolarHBondContact NE-SD 3.02Å; R134-M175 VanDerWaalsContact NE-SD 3.45Å; R134-T177 HydrophobicContact CG-CG2 4.39Å
135V98.4Very high98Very high20 Ų2058.6 Ų58.612%0.12133%0.325CS..EExtended strand (participates in β ladder)trans-94.9-60.8-179.1-177.60000109.9A123 V125 F167 L176 I178 V212A123-V135 HydrophobicContact CB-CG1 3.66Å; V125-V135 HydrophobicContact CG1-CB 4.39Å; V125-V135 HydrophobicContact CG1-CG1 3.98Å; V125-V135 HydrophobicContact CG1-CG2 4.09Å; V135-F167 HydrophobicContact CG2-CD1 4.28Å; V135-F167 HydrophobicContact CG2-CE1 4.26Å; V135-L176 HydrophobicContact CB-CB 4.42Å; V135-L176 HydrophobicContact CB-CD2 4.23Å; V135-L176 HydrophobicContact CB-CG 4.38Å; V135-L176 WeakPolarHBondContact CB-O 3.38Å; V135-L176 HydrophobicContact CG1-CD2 4.14Å; V135-L176 PolarHBondContact N-O 3.01Å; V135-I178 HydrophobicContact CG2-CG1 3.72Å; V135-V212 HydrophobicContact CG1-CG1 4.02Å; V135-V212 HydrophobicContact CG1-CG2 3.76Å
136V98.4Very high97.9Very high28 Ų2859.9 Ų59.917%0.1734%0.34CS..EExtended strand (participates in β ladder)trans-160.6152.5178.566.50000109.3Y121 A123 L176 V210Y121-V136 HydrophobicContact CD1-CG2 4.04Å; A123-V136 HydrophobicContact CB-CB 4.25Å; V136-L176 HydrophobicContact CG1-CB 4.2Å; V136-L176 HydrophobicContact CG1-CD2 4.26Å; V136-L176 PolarHBondContact N-O 2.7Å; V136-L176 WeakPolarHBondContact O-CB 3.29Å; V136-L176 PolarHBondContact O-N 3.1Å; V136-V210 HydrophobicContact CG1-CG1 3.56Å; V136-V210 HydrophobicContact CG1-CG2 4.29Å
137Q98.6Very high97.8Very high93 Ų9359.2 Ų59.244%0.43534%0.342SS..EExtended strand (participates in β ladder)trans-104.7121.4169.4-167.2169.61.300108.9T173 M175Q137-T173 WeakPolarHBondContact CG-O 3.35Å; Q137-T173 PolarHBondContact NE2-O 2.8Å; Q137-M175 HydrophobicContact CB-CE 3.6Å; Q137-M175 HydrophobicContact CB-SD 4.32Å; Q137-M175 HydrophobicContact CG-CE 3.82Å
138V98.5Very high97.8Very high0 Ų060.2 Ų60.20%035%0.347CS..  trans-86.5147.2168.8-61.10000109.8F116 Y121 Y153 G174 I194 V210F116-V138 HydrophobicContact CD1-CB 4.29Å; F116-V138 HydrophobicContact CE1-CB 3.98Å; F116-V138 HydrophobicContact CE1-CG2 3.92Å; Y121-V138 HydrophobicContact CD1-CG1 4.17Å; Y121-V138 HydrophobicContact CD2-CG1 3.81Å; Y121-V138 HydrophobicContact CE1-CB 4.23Å; Y121-V138 HydrophobicContact CE1-CG1 4.06Å; Y121-V138 HydrophobicContact CE2-CB 4.09Å; Y121-V138 HydrophobicContact CE2-CG1 3.71Å; Y121-V138 HydrophobicContact CG-CG1 4.03Å; V138-Y153 HydrophobicContact CG2-CD1 3.9Å; V138-Y153 HydrophobicContact CG2-CE1 4.02Å; V138-G174 WeakPolarHBondContact CG2-O 3.42Å; V138-G174 PolarHBondContact N-O 3.06Å; V138-I194 HydrophobicContact CG1-CD1 3.84Å; V138-I194 HydrophobicContact CG2-CD1 4.05Å; V138-I194 HydrophobicContact CG2-CG2 4.07Å; V138-V210 HydrophobicContact CG1-CG2 3.77Å
139L98.2Very high97.8Very high83 Ų8356.2 Ų56.244%0.43533%0.33SS..  trans-131.4122180-176.567000109.6F116 N117 Y121F116-L139 CarbonylContact C-O 3.5Å; F116-L139 WeakPolarHBondContact CA-O 3.23Å; N117-L139 PolarHBondContact N-O 3.44Å; Y121-L139 PolarHBondContact OH-N 3.01Å; Y121-L139 PolarHBondContact OH-O 3.06Å
140A98.3Very high97.8Very high6 Ų659.8 Ų59.85%0.0534%0.344CS..EExtended strand (participates in β ladder)trans-117153.316600000110.2P114 V115 F116 I151 Y153 A196P114-A140 HydrophobicContact CB-CB 4.49Å; V115-A140 CarbonylContact O-C 3.55Å; V115-A140 WeakPolarHBondContact O-CA 3.12Å; F116-A140 HydrophobicContact CD1-CB 3.83Å; F116-A140 HydrophobicContact CD2-CB 4.5Å; F116-A140 HydrophobicContact CE1-CB 4Å; F116-A140 HydrophobicContact CG-CB 4.1Å; F116-A140 HydrophobicContact CZ-CB 4.42Å; A140-I151 HydrophobicContact CB-CD1 3.91Å; A140-I151 HydrophobicContact CB-CG2 4.47Å; A140-I151 VanDerWaalsContact O-CD1 3.24Å; A140-I151 WeakPolarHBondContact O-CD1 3.26Å; A140-Y153 HydrophobicContact CB-CE1 3.94Å; A140-Y153 PolarHBondContact N-OH 2.83Å; A140-Y153 PolarHBondContact O-OH 3.31Å; A140-A196 HydrophobicContact CB-CB 3.69Å
141T98.1Very high97.8Very high83 Ų8356.7 Ų56.751%0.50932%0.322SS..EExtended strand (participates in β ladder)trans-131.9144.3176.2530000109.6V115V115-T141 PolarHBondContact N-O 3.31Å; V115-T141 PolarHBondContact O-N 3.38Å
142D98.4Very high97.8Very high22 Ų2255.4 Ų55.412%0.11831%0.308CS..  trans-127.8141.3176.3-159.4-47.2000107.3P114 D144 I151P114-D142 WeakPolarHBondContact CA-OD2 3.4Å; P114-D142 WeakPolarHBondContact CD-OD2 3.15Å; P114-D142 VanDerWaalsContact CG-OD2 3.23Å; P114-D142 WeakPolarHBondContact CG-OD2 3.1Å; D142-D144 PolarHBondContact OD1-N 2.7Å; D142-D144 VanDerWaalsContact OD1-N 3.14Å; D142-I151 HydrophobicContact CB-CD1 4.06Å; D142-I151 HydrophobicContact CB-CG1 4.08Å
143L97.8Very high97.9Very high109 Ų10953.8 Ų53.857%0.57129%0.287SS*.  trans-91.6-16.2-173.4-62.4-178.5000112.6R76 E77 N112R76-L143 PolarHBondContact NH2-O 2.83Å; E77-L143 HydrophobicContact CG-CB 3.66Å; N112-L143 HydrophobicContact CB-CB 4.2Å
144D98.1Very high97.8Very high10 Ų1053.6 Ų53.65%0.05329%0.288CS..SBendtrans-69.9163.3-178.1-62-14.3000111.7N110 D111 N112 D142 N148 G149N110-D144 WeakPolarHBondContact CA-OD2 3.11Å; D111-D144 PolarHBondContact N-OD2 3.06Å; N112-D144 WeakPolarHBondContact CB-OD1 3.35Å; N112-D144 PolarHBondContact N-OD1 3.34Å; N112-D144 PolarHBondContact N-OD2 3Å; N112-D144 PolarHBondContact ND2-OD1 3.23Å; D142-D144 PolarHBondContact OD1-N 2.7Å; D142-D144 VanDerWaalsContact OD1-N 3.14Å; D144-N148 HydrophobicContact CB-CB 3.43Å; D144-N148 VanDerWaalsContact CB-CB 3.43Å; D144-G149 VanDerWaalsContact O-CA 3.28Å; D144-G149 WeakPolarHBondContact O-CA 3.3Å
145E96.1Very high97.8Very high106 Ų10646.2 Ų46.250%0.49526%0.26SS..  trans-92.1141.4-176-165.1175162.600113.3R76 D108 N148R76-E145 IonicContact CZ-OE2 3.02Å; R76-E145 IonicContact NH1-OE2 2.85Å; R76-E145 PolarHBondContact NH1-OE2 3.04Å; D108-E145 HydrophobicContact CB-CB 3.98Å; D108-E145 VanDerWaalsContact CG-N 3.3Å; D108-E145 WeakPolarHBondContact OD1-CB 3.27Å; D108-E145 PolarHBondContact OD1-N 2.92Å; D108-E145 PolarHBondContact OD2-N 3.16Å; E145-N148 PolarHBondContact O-N 3.31Å
146G96.1Very high97.7Very high37 Ų3745.5 Ų45.538%0.38126%0.256SS..G310 helixtrans61.1-133.9172.300000112.1N148 G149 E150G146-N148 PolarHBondContact O-N 2.77Å; G146-N148 VanDerWaalsContact O-N 3.16Å; G146-G149 PolarHBondContact O-N 3.09Å; G146-E150 WeakPolarHBondContact O-CG 3.36Å; G146-E150 PolarHBondContact O-N 3.32Å
147P96.6Very high97.3Very high74 Ų7449 Ų4948%0.48128%0.283SS..G310 helixtrans-56.7-29.6-179-25.835.3000114.7G149 E150 K199 G200P147-G149 VanDerWaalsContact C-N 3.29Å; P147-E150 PolarHBondContact O-N 3.44Å; P147-K199 HydrophobicContact CB-CB 4.4Å; P147-K199 CarbonylContact O-C 3.48Å; P147-K199 VanDerWaalsContact O-CA 3.3Å; P147-K199 WeakPolarHBondContact O-CA 3.38Å; P147-K199 WeakPolarHBondContact O-CB 3.3Å; P147-K199 PolarHBondContact O-N 2.7Å; P147-G200 PolarHBondContact O-N 3.41Å
148N97.1Very high96.8Very high29 Ų2951.5 Ų51.516%0.15529%0.294CS..G310 helixtrans-68.7-31.4178.1-66-2.1000111.2D108 N110 D144 E145 G146 D198 G200D108-N148 WeakPolarHBondContact OD2-CB 3.44Å; D108-N148 PolarHBondContact OD2-ND2 3.24Å; N110-N148 HydrophobicContact CB-CB 4.12Å; N110-N148 PolarHBondContact N-ND2 3.34Å; N110-N148 WeakPolarHBondContact OD1-CA 2.96Å; N110-N148 WeakPolarHBondContact OD1-CB 3.28Å; N110-N148 VanDerWaalsContact OD1-CG 3.3Å; N110-N148 PolarHBondContact OD1-O 3.31Å; N110-N148 PolarHBondContact OD1-OD1 3.36Å; D144-N148 HydrophobicContact CB-CB 3.43Å; D144-N148 VanDerWaalsContact CB-CB 3.43Å; E145-N148 PolarHBondContact O-N 3.31Å; G146-N148 PolarHBondContact O-N 2.77Å; G146-N148 VanDerWaalsContact O-N 3.16Å; N148-D198 WeakPolarHBondContact O-CB 2.99Å; N148-G200 VanDerWaalsContact OD1-CA 3.3Å; N148-G200 WeakPolarHBondContact OD1-CA 3.42Å
149G96.9Very high96.6Very high19 Ų1953 Ų5320%0.19630%0.302CS..THydrogen-bonded Turntrans-93.9-4.5173.700000115.4D144 G146 P147 I151D144-G149 VanDerWaalsContact O-CA 3.28Å; D144-G149 WeakPolarHBondContact O-CA 3.3Å; G146-G149 PolarHBondContact O-N 3.09Å; P147-G149 VanDerWaalsContact C-N 3.29Å; G149-I151 PolarHBondContact O-N 3.47Å
150E97.6Very high96.3Very high91 Ų9158.2 Ų58.243%0.42532%0.316SS..  trans-82.7111.2-175.8-82.9-179-160.100112G146 P147 D198 K199G146-E150 WeakPolarHBondContact O-CG 3.36Å; G146-E150 PolarHBondContact O-N 3.32Å; P147-E150 PolarHBondContact O-N 3.44Å; E150-D198 CarbonylContact O-C 3.59Å; E150-D198 WeakPolarHBondContact O-CA 3.47Å; E150-K199 HydrophobicContact CB-CB 4.46Å; E150-K199 HydrophobicContact CB-CD 3.85Å; E150-K199 HydrophobicContact CB-CG 4.45Å; E150-K199 WeakPolarHBondContact O-CG 3.42Å; E150-K199 PolarHBondContact O-N 2.84Å; E150-K199 IonicContact OE2-NZ 3.97Å; E150-K199 PolarHBondContact OE2-NZ 3.16Å
151I98.2Very high95.7Very high28 Ų2863 Ų6314%0.14436%0.355CS..  trans-88.9137.2-174.2-60.2168.8000112.7P114 A140 D142 G149 Y153 A196P114-I151 HydrophobicContact CB-CD1 4.17Å; P114-I151 HydrophobicContact CB-CG1 4.19Å; P114-I151 HydrophobicContact CG-CG1 4.31Å; A140-I151 HydrophobicContact CB-CD1 3.91Å; A140-I151 HydrophobicContact CB-CG2 4.47Å; A140-I151 VanDerWaalsContact O-CD1 3.24Å; A140-I151 WeakPolarHBondContact O-CD1 3.26Å; D142-I151 HydrophobicContact CB-CD1 4.06Å; D142-I151 HydrophobicContact CB-CG1 4.08Å; G149-I151 PolarHBondContact O-N 3.47Å; I151-Y153 HydrophobicContact CG2-CD1 4.47Å; I151-Y153 HydrophobicContact CG2-CD2 4.38Å; I151-Y153 HydrophobicContact CG2-CE1 4.09Å; I151-Y153 HydrophobicContact CG2-CE2 3.98Å; I151-A196 HydrophobicContact CG2-CB 3.72Å
152I98.3Very high95.4Very high57 Ų5760 Ų6029%0.29234%0.341SS..EExtended strand (participates in β ladder)trans-117.7126.5167.3-60.2-65.6000110.3L171 K197 K199I152-L171 HydrophobicContact CD1-CD1 3.73Å; I152-L171 HydrophobicContact CG2-CB 4.37Å; I152-L171 HydrophobicContact CG2-CD1 4.46Å; I152-K197 PolarHBondContact N-O 3.44Å; I152-K197 PolarHBondContact O-N 3.25Å; I152-K199 HydrophobicContact CD1-CD 4.1Å; I152-K199 HydrophobicContact CG1-CD 3.77Å; I152-K199 HydrophobicContact CG1-CG 3.84Å
153Y98.6Very high95.2Very high15 Ų1559.3 Ų59.36%0.05934%0.338CS..EExtended strand (participates in β ladder)trans-90.2141.1176.5-59.4-84000111.8F116 V138 A140 I151 L171 V172 I194 Q195 A196F116-Y153 HydrophobicContact CE1-CD1 4.11Å; F116-Y153 AromaticContact CE1-CE1 3.79Å; F116-Y153 HydrophobicContact CE1-CE1 3.79Å; F116-Y153 HydrophobicContact CZ-CD1 4.31Å; F116-Y153 HydrophobicContact CZ-CE1 4.3Å; V138-Y153 HydrophobicContact CG2-CD1 3.9Å; V138-Y153 HydrophobicContact CG2-CE1 4.02Å; A140-Y153 HydrophobicContact CB-CE1 3.94Å; A140-Y153 PolarHBondContact N-OH 2.83Å; A140-Y153 PolarHBondContact O-OH 3.31Å; I151-Y153 HydrophobicContact CG2-CD1 4.47Å; I151-Y153 HydrophobicContact CG2-CD2 4.38Å; I151-Y153 HydrophobicContact CG2-CE1 4.09Å; I151-Y153 HydrophobicContact CG2-CE2 3.98Å; Y153-L171 WeakPolarHBondContact CD2-O 3.29Å; Y153-L171 PolarHBondContact N-O 3.15Å; Y153-V172 WeakPolarHBondContact CE2-O 3.29Å; Y153-I194 HydrophobicContact CD1-CG2 4.44Å; Y153-Q195 CarbonylContact C-O 3.52Å; Y153-Q195 WeakPolarHBondContact CA-O 3.32Å; Y153-A196 HydrophobicContact CD1-CB 4.12Å; Y153-A196 HydrophobicContact CE1-CB 4.07Å
154S98.2Very high95.1Very high42 Ų4261.4 Ų61.429%0.29434%0.338SS..EExtended strand (participates in β ladder)trans-151.7160.3175.267.30000112.2G156 Q195S154-G156 PolarHBondContact O-N 3.01Å; S154-Q195 PolarHBondContact N-O 2.86Å; S154-Q195 PolarHBondContact O-N 2.77Å
155F98Very high95Very high19 Ų1967.7 Ų67.78%0.08337%0.367CS..EExtended strand (participates in β ladder)trans-69.7126.6170.5-67.2-72000110.2V163 R164 F167 L169 L176 I192F155-V163 HydrophobicContact CD1-CG1 3.96Å; F155-V163 HydrophobicContact CE1-CG1 3.87Å; F155-R164 HydrophobicContact CD2-CG 3.79Å; F155-R164 HydrophobicContact CE2-CG 4.22Å; F155-R164 HydrophobicContact CG-CG 4.28Å; F155-R164 PolarHBondContact O-NH2 2.97Å; F155-F167 HydrophobicContact CE1-CB 4.43Å; F155-F167 HydrophobicContact CZ-CB 4.15Å; F155-L169 HydrophobicContact CD2-CB 4.38Å; F155-L169 HydrophobicContact CE1-CB 4.16Å; F155-L169 HydrophobicContact CE2-CB 3.79Å; F155-L169 HydrophobicContact CZ-CB 3.66Å; F155-L176 HydrophobicContact CE1-CD1 3.75Å; F155-L176 HydrophobicContact CZ-CD1 3.97Å; F155-I192 HydrophobicContact CD1-CG2 3.83Å; F155-I192 HydrophobicContact CE1-CG2 3.8Å
156G94.7Very high95Very high4 Ų464.7 Ų64.74%0.04135%0.354CS..  trans-62.3160.8176.200000113.3S154 H158 N159 Y193S154-G156 PolarHBondContact O-N 3.01Å; G156-H158 VanDerWaalsContact C-N 3.28Å; G156-H158 PolarHBondContact O-N 3.46Å; G156-N159 PolarHBondContact N-ND2 2.99Å; G156-N159 PolarHBondContact O-ND2 2.9Å; G156-Y193 PolarHBondContact N-O 3Å
157S90.1Very high95.2Very high103 Ų10363 Ų6372%0.7234%0.336SS*.THydrogen-bonded Turntrans-66.8-24.8-177.751.30000114.3N159S157-N159 VanDerWaalsContact C-N 3.26Å; S157-N159 PolarHBondContact O-N 2.89Å
158H89.6Confident95.2Very high145 Ų14561.1 Ų61.167%0.67133%0.327SS*.THydrogen-bonded Turntrans-84.47.9-175.4-57.991.9000114.2G156 Y193G156-H158 VanDerWaalsContact C-N 3.28Å; G156-H158 PolarHBondContact O-N 3.46Å; H158-Y193 HydrophobicContact CB-CD2 4.31Å; H158-Y193 HydrophobicContact CB-CG 4.44Å
159N94.1Very high95.3Very high30 Ų3061.1 Ų61.116%0.1633%0.327CS..PPolyproline II helixtrans-72.4144.4179.4-77.8-55.4000112.1G156 S157 V163 I192 Y193G156-N159 PolarHBondContact N-ND2 2.99Å; G156-N159 PolarHBondContact O-ND2 2.9Å; S157-N159 VanDerWaalsContact C-N 3.26Å; S157-N159 PolarHBondContact O-N 2.89Å; N159-V163 HydrophobicContact CB-CB 4.26Å; N159-V163 HydrophobicContact CB-CG1 4.49Å; N159-V163 HydrophobicContact CB-CG2 4.18Å; N159-I192 WeakPolarHBondContact OD1-CA 2.95Å; N159-Y193 PolarHBondContact ND2-O 2.8Å; N159-Y193 PolarHBondContact OD1-N 2.8Å
160R90.9Very high95.4Very high193 Ų19363.6 Ų63.673%0.72834%0.336SS*.PPolyproline II helixtrans-60.9151.6172.1-66.3-174.2-179.91801.5111G162 V163R160-G162 PolarHBondContact O-N 2.89Å; R160-V163 HydrophobicContact CB-CG2 4.39Å; R160-V163 WeakPolarHBondContact O-CG2 3.39Å; R160-V163 PolarHBondContact O-N 2.87Å
161A86.3Confident95.4Very high107 Ų10763.6 Ų63.688%0.88434%0.338SS*.THydrogen-bonded Turntrans-54.2137.5168.200000109.6
162G90.7Very high95.4Very high21 Ų2167 Ų6722%0.21636%0.36CS..THydrogen-bonded Turntrans95.3-18.6-179.900000115.9R160 R164 Q165 L166R160-G162 PolarHBondContact O-N 2.89Å; G162-R164 VanDerWaalsContact C-N 3.26Å; G162-R164 PolarHBondContact O-N 2.84Å; G162-R164 VanDerWaalsContact O-N 3.17Å; G162-Q165 WeakPolarHBondContact O-CA 3.37Å; G162-Q165 VanDerWaalsContact O-CB 3.3Å; G162-Q165 WeakPolarHBondContact O-CB 3.37Å; G162-Q165 PolarHBondContact O-N 3.03Å; G162-L166 PolarHBondContact O-N 2.84Å
163V95.1Very high95.4Very high7 Ų767.3 Ų67.34%0.04237%0.365CS..Hα-helixtrans-54.8-41.7179.4170.70000112.2F155 N159 R160 Q165 L166 F167 I192F155-V163 HydrophobicContact CD1-CG1 3.96Å; F155-V163 HydrophobicContact CE1-CG1 3.87Å; N159-V163 HydrophobicContact CB-CB 4.26Å; N159-V163 HydrophobicContact CB-CG1 4.49Å; N159-V163 HydrophobicContact CB-CG2 4.18Å; R160-V163 HydrophobicContact CB-CG2 4.39Å; R160-V163 WeakPolarHBondContact O-CG2 3.39Å; R160-V163 PolarHBondContact O-N 2.87Å; V163-Q165 PolarHBondContact O-N 2.87Å; V163-L166 PolarHBondContact O-N 2.82Å; V163-F167 HydrophobicContact CG1-CD2 4.41Å; V163-F167 PolarHBondContact O-N 2.9Å; V163-I192 HydrophobicContact CG1-CG1 4.09Å; V163-I192 HydrophobicContact CG1-CG2 4.03Å
164R95.4Very high95.3Very high153 Ų15366.6 Ų66.658%0.57736%0.362SS*.Hα-helixtrans-71.9-11.1177.9-64.8179.4175.8-1072114.5F155 G162 K179F155-R164 HydrophobicContact CD2-CG 3.79Å; F155-R164 HydrophobicContact CE2-CG 4.22Å; F155-R164 HydrophobicContact CG-CG 4.28Å; F155-R164 PolarHBondContact O-NH2 2.97Å; G162-R164 VanDerWaalsContact C-N 3.26Å; G162-R164 PolarHBondContact O-N 2.84Å; G162-R164 VanDerWaalsContact O-N 3.17Å; R164-K179 PolarHBondContact O-NZ 2.79Å
165Q96.2Very high95.4Very high141 Ų14165.6 Ų65.666%0.65935%0.353SS*.Hα-helixtrans-91.5-38.7174.4-59.5166.39.800109.9G162 V163 G180G162-Q165 WeakPolarHBondContact O-CA 3.37Å; G162-Q165 VanDerWaalsContact O-CB 3.3Å; G162-Q165 WeakPolarHBondContact O-CB 3.37Å; G162-Q165 PolarHBondContact O-N 3.03Å; V163-Q165 PolarHBondContact O-N 2.87Å; Q165-G180 WeakPolarHBondContact O-CA 3.39Å; Q165-G180 PolarHBondContact O-N 2.85Å; Q165-G180 VanDerWaalsContact O-N 3.15Å
166L97.4Very high95.4Very high44 Ų4464.7 Ų64.723%0.2335%0.349CS..Hα-helixtrans-81.9-35-179.5-62-179.7000113.6G162 V163 K179 G180 R181 L182G162-L166 PolarHBondContact O-N 2.84Å; V163-L166 PolarHBondContact O-N 2.82Å; L166-K179 WeakPolarHBondContact O-CA 3.25Å; L166-K179 PolarHBondContact O-N 2.8Å; L166-G180 PolarHBondContact O-N 2.85Å; L166-R181 VanDerWaalsContact CD2-O 3.24Å; L166-R181 WeakPolarHBondContact CD2-O 3.5Å; L166-L182 HydrophobicContact CB-CD2 4.31Å; L166-L182 HydrophobicContact CD1-CD2 4.5Å; L166-L182 HydrophobicContact CD2-CD2 4.48Å
167F98.3Very high95.6Very high1 Ų166 Ų660%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-126150.9-176.1-58.3-84.8000111.7V135 F155 V163 L176 T177 L182 H190 I192 V212V135-F167 HydrophobicContact CG2-CD1 4.28Å; V135-F167 HydrophobicContact CG2-CE1 4.26Å; F155-F167 HydrophobicContact CE1-CB 4.43Å; F155-F167 HydrophobicContact CZ-CB 4.15Å; V163-F167 HydrophobicContact CG1-CD2 4.41Å; V163-F167 PolarHBondContact O-N 2.9Å; F167-L176 HydrophobicContact CB-CD1 3.99Å; F167-L176 HydrophobicContact CB-CG 4.5Å; F167-L176 HydrophobicContact CD1-CD2 4.35Å; F167-L176 HydrophobicContact CD1-CG 4.41Å; F167-T177 CarbonylContact C-O 3.51Å; F167-T177 WeakPolarHBondContact CA-O 3.24Å; F167-L182 HydrophobicContact CE1-CD2 4.41Å; F167-L182 HydrophobicContact CE2-CD2 4.27Å; F167-L182 HydrophobicContact CZ-CD1 4.44Å; F167-L182 HydrophobicContact CZ-CD2 3.81Å; F167-H190 HydrophobicContact CE2-CB 4.04Å; F167-H190 AromaticContact CE2-CD2 3.94Å; F167-H190 AromaticContact CE2-CG 3.79Å; F167-H190 HydrophobicContact CZ-CB 4.23Å; F167-H190 AromaticContact CZ-CD2 3.78Å; F167-I192 HydrophobicContact CB-CD1 4.45Å; F167-I192 HydrophobicContact CD1-CD1 4.08Å; F167-I192 HydrophobicContact CD2-CD1 3.53Å; F167-I192 HydrophobicContact CD2-CG1 4.46Å; F167-I192 HydrophobicContact CE1-CD1 4.22Å; F167-I192 HydrophobicContact CE2-CD1 3.7Å; F167-I192 HydrophobicContact CG-CD1 3.74Å; F167-I192 HydrophobicContact CZ-CD1 4.04Å; F167-V212 HydrophobicContact CE1-CG1 4.26Å; F167-V212 HydrophobicContact CE1-CG2 4.39Å; F167-V212 HydrophobicContact CZ-CB 4.46Å; F167-V212 HydrophobicContact CZ-CG1 4.27Å; F167-V212 HydrophobicContact CZ-CG2 4.5Å
168A98.3Very high96Very high35 Ų3561.1 Ų61.129%0.28932%0.322SS..EExtended strand (participates in β ladder)trans-117.8144.8167.800000109.1L176 T177 K179A168-L176 CarbonylContact O-C 3.48Å; A168-L176 WeakPolarHBondContact O-CA 3.26Å; A168-T177 PolarHBondContact N-O 2.8Å; A168-T177 PolarHBondContact O-N 2.85Å; A168-K179 HydrophobicContact CB-CB 4.22Å; A168-K179 HydrophobicContact CB-CD 4.37Å
169L98.6Very high96.4Very high28 Ų2859.7 Ų59.715%0.14731%0.314CS..EExtended strand (participates in β ladder)trans-123124.3176.8178.865.1000107.9F155 M175 L176 I194F155-L169 HydrophobicContact CD2-CB 4.38Å; F155-L169 HydrophobicContact CE1-CB 4.16Å; F155-L169 HydrophobicContact CE2-CB 3.79Å; F155-L169 HydrophobicContact CZ-CB 3.66Å; L169-M175 WeakPolarHBondContact CA-O 3.47Å; L169-L176 HydrophobicContact CB-CD1 4.26Å; L169-L176 HydrophobicContact CD1-CB 4.4Å; L169-L176 HydrophobicContact CD1-CD1 4.31Å; L169-I194 HydrophobicContact CD1-CD1 3.99Å; L169-I194 HydrophobicContact CD2-CD1 4.22Å; L169-I194 HydrophobicContact CD2-CG1 4.21Å; L169-I194 HydrophobicContact CD2-CG2 3.73Å
170D98.6Very high96.5Very high71 Ų7159.1 Ų59.138%0.3832%0.315SS..  trans-74125.4172-175.5-90.3000110.1V172 T173 G174 M175D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 2.71Å; D170-V172 PolarHBondContact OD1-N 2.97Å; D170-V172 VanDerWaalsContact OD1-N 3.14Å; D170-T173 VanDerWaalsContact CB-OG1 3.27Å; D170-T173 WeakPolarHBondContact CB-OG1 3.33Å; D170-T173 WeakPolarHBondContact OD1-CB 3.23Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.33Å; D170-T173 PolarHBondContact OD1-N 3.28Å; D170-T173 PolarHBondContact OD1-OG1 2.71Å; D170-G174 WeakPolarHBondContact O-CA 3.25Å; D170-G174 PolarHBondContact O-N 3.38Å; D170-G174 VanDerWaalsContact O-N 3.1Å; D170-M175 HydrophobicContact CB-CB 4.1Å; D170-M175 PolarHBondContact N-O 3.02Å
171L98.2Very high96.7Very high91 Ų9160.9 Ų60.948%0.47632%0.322SS..THydrogen-bonded Turntrans-73.1-17.4-169.870.398.9000114.1I152 Y153I152-L171 HydrophobicContact CD1-CD1 3.73Å; I152-L171 HydrophobicContact CG2-CB 4.37Å; I152-L171 HydrophobicContact CG2-CD1 4.46Å; Y153-L171 WeakPolarHBondContact CD2-O 3.29Å; Y153-L171 PolarHBondContact N-O 3.15Å
172V97.2Very high97.2Very high100 Ų10056.2 Ų56.261%0.60628%0.282SS*.THydrogen-bonded Turntrans-105-44.9-177.6-178.20000110.9Y153 D170Y153-V172 WeakPolarHBondContact CE2-O 3.29Å; D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 2.71Å; D170-V172 PolarHBondContact OD1-N 2.97Å; D170-V172 VanDerWaalsContact OD1-N 3.14Å
173T98Very high97.4Very high63 Ų6358.9 Ų58.939%0.38729%0.291SS..THydrogen-bonded Turntrans-90.4-15.5-173.5640000113.5Q137 D170 M175Q137-T173 WeakPolarHBondContact CG-O 3.35Å; Q137-T173 PolarHBondContact NE2-O 2.8Å; D170-T173 VanDerWaalsContact CB-OG1 3.27Å; D170-T173 WeakPolarHBondContact CB-OG1 3.33Å; D170-T173 WeakPolarHBondContact OD1-CB 3.23Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.33Å; D170-T173 PolarHBondContact OD1-N 3.28Å; D170-T173 PolarHBondContact OD1-OG1 2.71Å; T173-M175 PolarHBondContact O-N 2.78Å; T173-M175 WeakPolarHBondContact OG1-CB 3.37Å; T173-M175 PolarHBondContact OG1-N 2.86Å
174G98.3Very high97.5Very high0 Ų060.1 Ų60.10%030%0.296CS..  trans69.415.7-173.500000113.5V138 D170 L176V138-G174 WeakPolarHBondContact CG2-O 3.42Å; V138-G174 PolarHBondContact N-O 3.06Å; D170-G174 WeakPolarHBondContact O-CA 3.25Å; D170-G174 PolarHBondContact O-N 3.38Å; D170-G174 VanDerWaalsContact O-N 3.1Å; G174-L176 PolarHBondContact O-N 2.93Å
175M98.8Very high97.6Very high22 Ų2257.3 Ų57.311%0.10829%0.289CS..EExtended strand (participates in β ladder)trans-73.4117.1177.9-175.160.554.800110.9R134 Q137 L169 D170 T173 T177R134-M175 HydrophobicContact CB-SD 3.87Å; R134-M175 HydrophobicContact CG-CG 4.33Å; R134-M175 HydrophobicContact CG-SD 3.82Å; R134-M175 VanDerWaalsContact NE-CE 3.3Å; R134-M175 PolarHBondContact NE-SD 3.02Å; R134-M175 VanDerWaalsContact NE-SD 3.45Å; Q137-M175 HydrophobicContact CB-CE 3.6Å; Q137-M175 HydrophobicContact CB-SD 4.32Å; Q137-M175 HydrophobicContact CG-CE 3.82Å; L169-M175 WeakPolarHBondContact CA-O 3.47Å; D170-M175 HydrophobicContact CB-CB 4.1Å; D170-M175 PolarHBondContact N-O 3.02Å; T173-M175 PolarHBondContact O-N 2.78Å; T173-M175 WeakPolarHBondContact OG1-CB 3.37Å; T173-M175 PolarHBondContact OG1-N 2.86Å; M175-T177 HydrophobicContact CG-CG2 3.78Å
176L98.7Very high97.5Very high0 Ų056.5 Ų56.50%029%0.29CS..EExtended strand (participates in β ladder)trans-88.8126.9169.7-169.576000109.5V135 V136 F155 F167 A168 L169 G174 I192 I194 V210 V212V135-L176 HydrophobicContact CB-CB 4.42Å; V135-L176 HydrophobicContact CB-CD2 4.23Å; V135-L176 HydrophobicContact CB-CG 4.38Å; V135-L176 WeakPolarHBondContact CB-O 3.38Å; V135-L176 HydrophobicContact CG1-CD2 4.14Å; V135-L176 PolarHBondContact N-O 3.01Å; V136-L176 HydrophobicContact CG1-CB 4.2Å; V136-L176 HydrophobicContact CG1-CD2 4.26Å; V136-L176 PolarHBondContact N-O 2.7Å; V136-L176 WeakPolarHBondContact O-CB 3.29Å; V136-L176 PolarHBondContact O-N 3.1Å; F155-L176 HydrophobicContact CE1-CD1 3.75Å; F155-L176 HydrophobicContact CZ-CD1 3.97Å; F167-L176 HydrophobicContact CB-CD1 3.99Å; F167-L176 HydrophobicContact CB-CG 4.5Å; F167-L176 HydrophobicContact CD1-CD2 4.35Å; F167-L176 HydrophobicContact CD1-CG 4.41Å; A168-L176 CarbonylContact O-C 3.48Å; A168-L176 WeakPolarHBondContact O-CA 3.26Å; L169-L176 HydrophobicContact CB-CD1 4.26Å; L169-L176 HydrophobicContact CD1-CB 4.4Å; L169-L176 HydrophobicContact CD1-CD1 4.31Å; G174-L176 PolarHBondContact O-N 2.93Å; L176-I192 HydrophobicContact CD2-CD1 3.77Å; L176-I194 HydrophobicContact CD1-CD1 4.49Å; L176-V210 HydrophobicContact CD2-CG1 4.06Å; L176-V212 HydrophobicContact CD2-CG2 4.36Å
177T98.8Very high97.4Very high30 Ų3056 Ų5618%0.18429%0.289CS..EExtended strand (participates in β ladder)trans-127.3157178.365.50000111.9T133 R134 F167 A168 M175T133-T177 CarbonylContact O-C 3.53Å; T133-T177 WeakPolarHBondContact O-CA 3.41Å; T133-T177 WeakPolarHBondContact O-CB 3.41Å; R134-T177 HydrophobicContact CG-CG2 4.39Å; F167-T177 CarbonylContact C-O 3.51Å; F167-T177 WeakPolarHBondContact CA-O 3.24Å; A168-T177 PolarHBondContact N-O 2.8Å; A168-T177 PolarHBondContact O-N 2.85Å; M175-T177 HydrophobicContact CG-CG2 3.78Å
178I98.4Very high97.3Very high2 Ų261.8 Ų61.81%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-68.5137.9169.9-59.4-176.3000109.2V125 A129 G132 T133 V135 G180 L182V125-I178 HydrophobicContact CB-CD1 4.2Å; V125-I178 HydrophobicContact CG1-CD1 4.34Å; A129-I178 HydrophobicContact CB-CD1 3.48Å; A129-I178 VanDerWaalsContact CB-CD1 3.48Å; G132-I178 PolarHBondContact N-O 2.97Å; T133-I178 HydrophobicContact CG2-CD1 4.31Å; T133-I178 PolarHBondContact O-N 3.02Å; V135-I178 HydrophobicContact CG2-CG1 3.72Å; I178-G180 WeakPolarHBondContact CG2-O 3.38Å; I178-L182 HydrophobicContact CD1-CD1 3.83Å; I178-L182 HydrophobicContact CG1-CD1 4.33Å
179K98Very high97.3Very high114 Ų11463.8 Ų63.850%0.49632%0.319SS..  trans-122.8-49.8177.2179.5-177.3173.7-176.70110.9S131 R164 L166 A168S131-K179 PolarHBondContact OG-O 2.88Å; R164-K179 PolarHBondContact O-NZ 2.79Å; L166-K179 WeakPolarHBondContact O-CA 3.25Å; L166-K179 PolarHBondContact O-N 2.8Å; A168-K179 HydrophobicContact CB-CB 4.22Å; A168-K179 HydrophobicContact CB-CD 4.37Å
180G96.1Very high97.2Very high19 Ų1963.4 Ų63.420%0.19632%0.317CS..SBendtrans-96.6-179.7176.800000112.1Q165 L166 I178Q165-G180 WeakPolarHBondContact O-CA 3.39Å; Q165-G180 PolarHBondContact O-N 2.85Å; Q165-G180 VanDerWaalsContact O-N 3.15Å; L166-G180 PolarHBondContact O-N 2.85Å; I178-G180 WeakPolarHBondContact CG2-O 3.38Å
181R95.4Very high97.1Very high229 Ų22963.8 Ų63.886%0.86432%0.316SS*.  trans-79.7135.8172.2-65.8-176.7176.5-138.3-2.3109.5L166L166-R181 VanDerWaalsContact CD2-O 3.24Å; L166-R181 WeakPolarHBondContact CD2-O 3.5Å
182L96.7Very high97.1Very high10 Ų1059.4 Ų59.45%0.05229%0.293CS..  trans-94.3154.7168.8-56.4179.5000107.8V125 E127 L166 F167 I178 V214V125-L182 HydrophobicContact CB-CD1 4.42Å; V125-L182 HydrophobicContact CG2-CD1 3.44Å; V125-L182 VanDerWaalsContact CG2-CD1 3.44Å; E127-L182 HydrophobicContact CB-CB 4.49Å; L166-L182 HydrophobicContact CB-CD2 4.31Å; L166-L182 HydrophobicContact CD1-CD2 4.5Å; L166-L182 HydrophobicContact CD2-CD2 4.48Å; F167-L182 HydrophobicContact CE1-CD2 4.41Å; F167-L182 HydrophobicContact CE2-CD2 4.27Å; F167-L182 HydrophobicContact CZ-CD1 4.44Å; F167-L182 HydrophobicContact CZ-CD2 3.81Å; I178-L182 HydrophobicContact CD1-CD1 3.83Å; I178-L182 HydrophobicContact CG1-CD1 4.33Å; L182-V214 HydrophobicContact CB-CG1 4.43Å; L182-V214 HydrophobicContact CD1-CG2 4.41Å
183D95.6Very high97.1Very high76 Ų7658 Ų5841%0.40628%0.278SS..  trans-146.8116.1-177.3176-17.4000106.3E185 D186 T187D183-E185 WeakPolarHBondContact OD1-CA 3.32Å; D183-E185 WeakPolarHBondContact OD1-CB 3.33Å; D183-E185 PolarHBondContact OD1-N 3.19Å; D183-D186 HydrophobicContact CB-CB 4.03Å; D183-D186 PolarHBondContact O-N 2.87Å; D183-D186 PolarHBondContact OD1-N 3.17Å; D183-D186 VanDerWaalsContact OD1-N 3.1Å; D183-T187 PolarHBondContact O-N 2.82Å
184F97Very high97.2Very high33 Ų3355 Ų5515%0.14526%0.259CS..THydrogen-bonded Turntrans-70.4-35.7-177.5179.2-95.9000111.7E127 D186 K188 V214 D216E127-F184 HydrophobicContact CB-CB 4.33Å; E127-F184 WeakPolarHBondContact OE2-CB 3.04Å; E127-F184 PolarHBondContact OE2-N 3Å; F184-D186 VanDerWaalsContact C-N 3.28Å; F184-D186 PolarHBondContact O-N 3.04Å; F184-K188 HydrophobicContact CD2-CB 4.42Å; F184-K188 HydrophobicContact CD2-CG 3.97Å; F184-K188 HydrophobicContact CE1-CD 4.13Å; F184-K188 HydrophobicContact CE1-CG 4.42Å; F184-K188 HydrophobicContact CE2-CB 4.18Å; F184-K188 HydrophobicContact CE2-CD 3.93Å; F184-K188 HydrophobicContact CE2-CG 3.77Å; F184-K188 HydrophobicContact CG-CG 4.39Å; F184-K188 HydrophobicContact CZ-CD 3.69Å; F184-K188 HydrophobicContact CZ-CG 4.01Å; F184-K188 WeakPolarHBondContact O-CE 3.13Å; F184-K188 WeakPolarHBondContact O-CG 3.32Å; F184-V214 HydrophobicContact CB-CG1 4.11Å; F184-V214 HydrophobicContact CD2-CB 4.36Å; F184-V214 HydrophobicContact CD2-CG1 4.28Å; F184-V214 VanDerWaalsContact CD2-O 3.32Å; F184-V214 WeakPolarHBondContact CD2-O 3.36Å; F184-V214 WeakPolarHBondContact CE2-O 3.18Å; F184-D216 HydrophobicContact CB-CB 4.44Å; F184-D216 HydrophobicContact CD1-CB 3.54Å; F184-D216 HydrophobicContact CD2-CB 3.88Å; F184-D216 HydrophobicContact CE1-CB 3.59Å; F184-D216 HydrophobicContact CE2-CB 3.92Å; F184-D216 HydrophobicContact CG-CB 3.69Å; F184-D216 HydrophobicContact CZ-CB 3.78Å
185E96.9Very high97.1Very high94 Ų9457.4 Ų57.444%0.43927%0.271SS..THydrogen-bonded Turntrans-64.3-33.2175.3-78.758.2-124.900111.7D183 N220D183-E185 WeakPolarHBondContact OD1-CA 3.32Å; D183-E185 WeakPolarHBondContact OD1-CB 3.33Å; D183-E185 PolarHBondContact OD1-N 3.19Å; E185-N220 PolarHBondContact OE2-ND2 2.84Å
186D94.5Very high97.1Very high124 Ų12456.4 Ų56.466%0.66327%0.265SS*.THydrogen-bonded Turntrans-81.6-62174.9-178.958.3000112.8D183 F184D183-D186 HydrophobicContact CB-CB 4.03Å; D183-D186 PolarHBondContact O-N 2.87Å; D183-D186 PolarHBondContact OD1-N 3.17Å; D183-D186 VanDerWaalsContact OD1-N 3.1Å; F184-D186 VanDerWaalsContact C-N 3.28Å; F184-D186 PolarHBondContact O-N 3.04Å
187T95.3Very high97.1Very high35 Ų3560.2 Ų60.222%0.21528%0.282CS..  trans-137.5104.9-172.3-57.90000113D183 L189 H190 V214D183-T187 PolarHBondContact O-N 2.82Å; T187-L189 PolarHBondContact O-N 3.19Å; T187-H190 WeakPolarHBondContact CG2-CE1 2.77Å; T187-V214 WeakPolarHBondContact O-CG2 3.47Å
188K96.7Very high97Very high122 Ų12259.1 Ų59.153%0.5328%0.275SS..SBendtrans-75.6-22.6-179.5-56.8-177-177.9-168.50115F184 V214F184-K188 HydrophobicContact CD2-CB 4.42Å; F184-K188 HydrophobicContact CD2-CG 3.97Å; F184-K188 HydrophobicContact CE1-CD 4.13Å; F184-K188 HydrophobicContact CE1-CG 4.42Å; F184-K188 HydrophobicContact CE2-CB 4.18Å; F184-K188 HydrophobicContact CE2-CD 3.93Å; F184-K188 HydrophobicContact CE2-CG 3.77Å; F184-K188 HydrophobicContact CG-CG 4.39Å; F184-K188 HydrophobicContact CZ-CD 3.69Å; F184-K188 HydrophobicContact CZ-CG 4.01Å; F184-K188 WeakPolarHBondContact O-CE 3.13Å; F184-K188 WeakPolarHBondContact O-CG 3.32Å; K188-V214 PolarHBondContact O-N 2.84Å
189L96.9Very high97Very high77 Ų7764.1 Ų64.140%0.40330%0.297SS..EExtended strand (participates in β ladder)trans-145.8116.4-170.2-166.666.2000111.2T187 L211 V212 E213T187-L189 PolarHBondContact O-N 3.19Å; L189-L211 HydrophobicContact CD1-CD1 3.62Å; L189-L211 HydrophobicContact CD1-CD2 4.03Å; L189-L211 HydrophobicContact CD1-CG 3.59Å; L189-L211 HydrophobicContact CD2-CD1 3.85Å; L189-L211 HydrophobicContact CG-CD1 3.62Å; L189-L211 HydrophobicContact CG-CG 4.19Å; L189-V212 WeakPolarHBondContact CA-O 3.22Å; L189-E213 HydrophobicContact CD1-CB 4.3Å; L189-E213 HydrophobicContact CD1-CG 3.47Å; L189-E213 VanDerWaalsContact CD1-CG 3.47Å
190H96.9Very high96.7Very high19 Ų1959.1 Ų59.19%0.08828%0.277CS..EExtended strand (participates in β ladder)trans-101.7121.3173.6-61-78.8000110.8F167 T187 I192 V212F167-H190 HydrophobicContact CE2-CB 4.04Å; F167-H190 AromaticContact CE2-CD2 3.94Å; F167-H190 AromaticContact CE2-CG 3.79Å; F167-H190 HydrophobicContact CZ-CB 4.23Å; F167-H190 AromaticContact CZ-CD2 3.78Å; T187-H190 WeakPolarHBondContact CG2-CE1 2.77Å; H190-I192 HydrophobicContact CB-CD1 4.44Å; H190-I192 HydrophobicContact CB-CG1 4.32Å; H190-V212 HydrophobicContact CB-CB 4.25Å; H190-V212 PolarHBondContact N-O 2.86Å; H190-V212 PolarHBondContact O-N 3.4Å
191E97.1Very high96.4Very high79 Ų7962.7 Ų62.737%0.36931%0.305SS..EExtended strand (participates in β ladder)trans-92.4116.7165.4-63.9-164-174.400109.7Y193 K209 L211E191-Y193 HydrophobicContact CB-CE2 4.48Å; E191-Y193 PolarHBondContact OE2-OH 3.07Å; E191-K209 IonicContact OE2-NZ 3.66Å; E191-K209 PolarHBondContact OE2-NZ 3.02Å; E191-L211 HydrophobicContact CG-CD1 3.71Å
192I98.1Very high96.1Very high0 Ų058.4 Ų58.40%030%0.3CS..EExtended strand (participates in β ladder)trans-118.9118.5-177.7-56.6169.5000108.5F155 N159 V163 F167 L176 H190 I194 V210 V212F155-I192 HydrophobicContact CD1-CG2 3.83Å; F155-I192 HydrophobicContact CE1-CG2 3.8Å; N159-I192 WeakPolarHBondContact OD1-CA 2.95Å; V163-I192 HydrophobicContact CG1-CG1 4.09Å; V163-I192 HydrophobicContact CG1-CG2 4.03Å; F167-I192 HydrophobicContact CB-CD1 4.45Å; F167-I192 HydrophobicContact CD1-CD1 4.08Å; F167-I192 HydrophobicContact CD2-CD1 3.53Å; F167-I192 HydrophobicContact CD2-CG1 4.46Å; F167-I192 HydrophobicContact CE1-CD1 4.22Å; F167-I192 HydrophobicContact CE2-CD1 3.7Å; F167-I192 HydrophobicContact CG-CD1 3.74Å; F167-I192 HydrophobicContact CZ-CD1 4.04Å; L176-I192 HydrophobicContact CD2-CD1 3.77Å; H190-I192 HydrophobicContact CB-CD1 4.44Å; H190-I192 HydrophobicContact CB-CG1 4.32Å; I192-I194 HydrophobicContact CG2-CG1 4.15Å; I192-V210 HydrophobicContact CB-CB 4.27Å; I192-V210 PolarHBondContact N-O 3.39Å; I192-V210 PolarHBondContact O-N 3.15Å; I192-V212 HydrophobicContact CD1-CG2 3.9Å
193Y98Very high95.9Very high71 Ų7160.3 Ų60.328%0.27831%0.312SS..EExtended strand (participates in β ladder)trans-89.8122.8174.1-64.5-91.5000109.2G156 H158 N159 E191 K209G156-Y193 PolarHBondContact N-O 3Å; H158-Y193 HydrophobicContact CB-CD2 4.31Å; H158-Y193 HydrophobicContact CB-CG 4.44Å; N159-Y193 PolarHBondContact ND2-O 2.8Å; N159-Y193 PolarHBondContact OD1-N 2.8Å; E191-Y193 HydrophobicContact CB-CE2 4.48Å; E191-Y193 PolarHBondContact OE2-OH 3.07Å; Y193-K209 VanDerWaalsContact OH-CE 3.23Å; Y193-K209 WeakPolarHBondContact OH-CE 3.22Å; Y193-K209 PolarHBondContact OH-NZ 2.84Å
194I98.3Very high95.8Very high0 Ų060.8 Ų60.80%031%0.312CS..EExtended strand (participates in β ladder)trans-110.1142176.3-61.5178.6000108.5F116 V138 Y153 L169 L176 I192 H207 C208 V210F116-I194 HydrophobicContact CZ-CG2 4.15Å; V138-I194 HydrophobicContact CG1-CD1 3.84Å; V138-I194 HydrophobicContact CG2-CD1 4.05Å; V138-I194 HydrophobicContact CG2-CG2 4.07Å; Y153-I194 HydrophobicContact CD1-CG2 4.44Å; L169-I194 HydrophobicContact CD1-CD1 3.99Å; L169-I194 HydrophobicContact CD2-CD1 4.22Å; L169-I194 HydrophobicContact CD2-CG1 4.21Å; L169-I194 HydrophobicContact CD2-CG2 3.73Å; L176-I194 HydrophobicContact CD1-CD1 4.49Å; I192-I194 HydrophobicContact CG2-CG1 4.15Å; I194-H207 VanDerWaalsContact O-CA 3.29Å; I194-H207 WeakPolarHBondContact O-CA 2.98Å; I194-C208 PolarHBondContact N-O 3.09Å; I194-C208 PolarHBondContact O-N 3.22Å; I194-V210 HydrophobicContact CD1-CG2 3.59Å; I194-V210 HydrophobicContact CG1-CG2 4.24Å
195Q98.1Very high95.8Very high50 Ų5060.9 Ų60.923%0.23432%0.323CS..EExtended strand (participates in β ladder)trans-112135.2173.2-178.8173.526.600109.3Y153 S154 A206Y153-Q195 CarbonylContact C-O 3.52Å; Y153-Q195 WeakPolarHBondContact CA-O 3.32Å; S154-Q195 PolarHBondContact N-O 2.86Å; S154-Q195 PolarHBondContact O-N 2.77Å; Q195-A206 VanDerWaalsContact CA-O 3.29Å; Q195-A206 WeakPolarHBondContact CA-O 3.37Å
196A98.4Very high95.8Very high0 Ų057.5 Ų57.50%031%0.311CS..EExtended strand (participates in β ladder)trans-106.7134.516300000107.4P114 F116 A140 I151 Y153 G205 A206P114-A196 HydrophobicContact CB-CB 4.05Å; F116-A196 HydrophobicContact CE1-CB 4.14Å; F116-A196 HydrophobicContact CE2-CB 3.62Å; F116-A196 HydrophobicContact CZ-CB 3.41Å; F116-A196 VanDerWaalsContact CZ-CB 3.41Å; A140-A196 HydrophobicContact CB-CB 3.69Å; I151-A196 HydrophobicContact CG2-CB 3.72Å; Y153-A196 HydrophobicContact CD1-CB 4.12Å; Y153-A196 HydrophobicContact CE1-CB 4.07Å; A196-G205 CarbonylContact O-C 3.59Å; A196-G205 WeakPolarHBondContact O-CA 2.92Å; A196-A206 PolarHBondContact N-O 2.93Å; A196-A206 PolarHBondContact O-N 3.46Å
197K97.9Very high95.9Very high81 Ų8156.8 Ų56.835%0.35230%0.303SS..EExtended strand (participates in β ladder)trans-137.1135.8179.6-161.5177.2177.8167.30109.3I152 P203 E204I152-K197 PolarHBondContact N-O 3.44Å; I152-K197 PolarHBondContact O-N 3.25Å; K197-P203 HydrophobicContact CD-CB 4.43Å; K197-P203 VanDerWaalsContact CE-CB 3.44Å; K197-P203 VanDerWaalsContact CE-CG 3.48Å; K197-P203 WeakPolarHBondContact CE-O 3.49Å; K197-P203 HydrophobicContact CG-CB 4.31Å; K197-P203 PolarHBondContact NZ-O 2.84Å; K197-E204 VanDerWaalsContact CA-O 3.31Å; K197-E204 WeakPolarHBondContact CA-O 3.37Å; K197-E204 WeakPolarHBondContact CG-O 2.89Å
198D97.8Very high96Very high7 Ų755.3 Ų55.34%0.03730%0.295CS..  trans-71.3178.6172.969.651.1000111.6N110 P114 N148 E150 G200 P203 E204N110-D198 PolarHBondContact ND2-OD2 3.49Å; N110-D198 VanDerWaalsContact ND2-OD2 3.14Å; P114-D198 HydrophobicContact CG-CB 4.14Å; N148-D198 WeakPolarHBondContact O-CB 2.99Å; E150-D198 CarbonylContact O-C 3.59Å; E150-D198 WeakPolarHBondContact O-CA 3.47Å; D198-G200 PolarHBondContact OD1-N 2.85Å; D198-P203 WeakPolarHBondContact O-CB 3.22Å; D198-P203 WeakPolarHBondContact OD1-CA 3.48Å; D198-P203 WeakPolarHBondContact OD1-CB 3.18Å; D198-E204 PolarHBondContact N-O 3.3Å; D198-E204 PolarHBondContact OD1-N 2.98Å; D198-E204 WeakPolarHBondContact OD2-CA 3.4Å; D198-E204 WeakPolarHBondContact OD2-CB 3.5Å; D198-E204 PolarHBondContact OD2-N 2.92Å
199K96.5Very high96.1Very high106 Ų10652.3 Ų52.346%0.46128%0.282SS..  trans-113.720177.3-65.7168.169.3-164.30112.4P147 E150 I152P147-K199 HydrophobicContact CB-CB 4.4Å; P147-K199 CarbonylContact O-C 3.48Å; P147-K199 VanDerWaalsContact O-CA 3.3Å; P147-K199 WeakPolarHBondContact O-CA 3.38Å; P147-K199 WeakPolarHBondContact O-CB 3.3Å; P147-K199 PolarHBondContact O-N 2.7Å; E150-K199 HydrophobicContact CB-CB 4.46Å; E150-K199 HydrophobicContact CB-CD 3.85Å; E150-K199 HydrophobicContact CB-CG 4.45Å; E150-K199 WeakPolarHBondContact O-CG 3.42Å; E150-K199 PolarHBondContact O-N 2.84Å; E150-K199 IonicContact OE2-NZ 3.97Å; E150-K199 PolarHBondContact OE2-NZ 3.16Å; I152-K199 HydrophobicContact CD1-CD 4.1Å; I152-K199 HydrophobicContact CG1-CD 3.77Å; I152-K199 HydrophobicContact CG1-CG 3.84Å
200G93.4Very high96.2Very high9 Ų948.7 Ų48.79%0.09326%0.262CS..SBendtrans-64.7171.5176.100000112.9P147 N148 D198 N202 P203P147-G200 PolarHBondContact O-N 3.41Å; N148-G200 VanDerWaalsContact OD1-CA 3.3Å; N148-G200 WeakPolarHBondContact OD1-CA 3.42Å; D198-G200 PolarHBondContact OD1-N 2.85Å; G200-N202 VanDerWaalsContact C-N 3.3Å; G200-N202 PolarHBondContact O-N 2.99Å; G200-P203 VanDerWaalsContact O-CD 3.28Å; G200-P203 WeakPolarHBondContact O-CD 3.32Å
201A88Confident96.3Very high94 Ų9448.4 Ų48.478%0.77726%0.262SS*.SBendtrans-66.4-32.8-179.500000112.9P203A201-P203 VanDerWaalsContact C-CD 3.48Å; A201-P203 WeakPolarHBondContact O-CD 3.44Å
202N90.8Very high96.3Very high140 Ų14044.7 Ų44.775%0.74924%0.244SC*.SBendtrans-120.174.8172.4-66.3-48.3000108.8G200 E204G200-N202 VanDerWaalsContact C-N 3.3Å; G200-N202 PolarHBondContact O-N 2.99Å; N202-E204 PolarHBondContact O-N 3.46Å
203P92.4Very high96.3Very high49 Ų4946.9 Ų46.932%0.31825%0.254SS..  trans-74.1130.1-158.523.6-29.5000112.5K197 D198 G200 A201K197-P203 HydrophobicContact CD-CB 4.43Å; K197-P203 VanDerWaalsContact CE-CB 3.44Å; K197-P203 VanDerWaalsContact CE-CG 3.48Å; K197-P203 WeakPolarHBondContact CE-O 3.49Å; K197-P203 HydrophobicContact CG-CB 4.31Å; K197-P203 PolarHBondContact NZ-O 2.84Å; D198-P203 WeakPolarHBondContact O-CB 3.22Å; D198-P203 WeakPolarHBondContact OD1-CA 3.48Å; D198-P203 WeakPolarHBondContact OD1-CB 3.18Å; G200-P203 VanDerWaalsContact O-CD 3.28Å; G200-P203 WeakPolarHBondContact O-CD 3.32Å; A201-P203 VanDerWaalsContact C-CD 3.48Å; A201-P203 WeakPolarHBondContact O-CD 3.44Å
204E93.8Very high96.3Very high86 Ų8643.9 Ų43.940%0.40224%0.243SC..  trans-92.2161.5179.8-60.7-150.9175.700110.9A113 K197 D198 N202A113-E204 HydrophobicContact CB-CB 3.98Å; A113-E204 WeakPolarHBondContact CB-OE2 3.28Å; K197-E204 VanDerWaalsContact CA-O 3.31Å; K197-E204 WeakPolarHBondContact CA-O 3.37Å; K197-E204 WeakPolarHBondContact CG-O 2.89Å; D198-E204 PolarHBondContact N-O 3.3Å; D198-E204 PolarHBondContact OD1-N 2.98Å; D198-E204 WeakPolarHBondContact OD2-CA 3.4Å; D198-E204 WeakPolarHBondContact OD2-CB 3.5Å; D198-E204 PolarHBondContact OD2-N 2.92Å; N202-E204 PolarHBondContact O-N 3.46Å
205G95.3Very high96.3Very high36 Ų3646.6 Ų46.637%0.37126%0.26SS..EExtended strand (participates in β ladder)trans-160156.5-17800000114.6A196A196-G205 CarbonylContact O-C 3.59Å; A196-G205 WeakPolarHBondContact O-CA 2.92Å
206A97.3Very high96.3Very high23 Ų2348.4 Ų48.419%0.1927%0.271CS..EExtended strand (participates in β ladder)trans-126.1169.617800000111.8P114 F116 Q195 A196P114-A206 WeakPolarHBondContact O-CB 3.14Å; F116-A206 HydrophobicContact CD2-CB 4.14Å; F116-A206 HydrophobicContact CE2-CB 4.31Å; Q195-A206 VanDerWaalsContact CA-O 3.29Å; Q195-A206 WeakPolarHBondContact CA-O 3.37Å; A196-A206 PolarHBondContact N-O 2.93Å; A196-A206 PolarHBondContact O-N 3.46Å
207H97.3Very high96.3Very high108 Ų10850.3 Ų50.350%0.528%0.283SS..EExtended strand (participates in β ladder)trans-130.7143.9-177.2-60.1-73.6000111.5I194I194-H207 VanDerWaalsContact O-CA 3.29Å; I194-H207 WeakPolarHBondContact O-CA 2.98Å
208C98Very high96.2Very high5 Ų553.8 Ų53.83%0.03431%0.305CS..EExtended strand (participates in β ladder)trans-132.1162.1166.775.60000110.8F116 Y121 I194F116-C208 HydrophobicContact CB-CB 4.18Å; F116-C208 HydrophobicContact CD1-CB 4.01Å; F116-C208 HydrophobicContact CD2-CB 3.75Å; F116-C208 HydrophobicContact CE1-CB 4.31Å; F116-C208 VanDerWaalsContact CE1-SG 3.59Å; F116-C208 HydrophobicContact CE2-CB 4.06Å; F116-C208 HydrophobicContact CG-CB 3.72Å; F116-C208 HydrophobicContact CZ-CB 4.33Å; Y121-C208 HydrophobicContact CD2-CB 4.31Å; Y121-C208 HydrophobicContact CE2-CB 3.9Å; I194-C208 PolarHBondContact N-O 3.09Å; I194-C208 PolarHBondContact O-N 3.22Å
209K98.3Very high96Very high59 Ų5958.3 Ų58.326%0.25733%0.329SS..EExtended strand (participates in β ladder)trans-105.8135.4173.2-174.3179.7-64.7-153.70109.9S119 L120 Y121 E191 Y193S119-K209 PolarHBondContact O-N 2.97Å; L120-K209 CarbonylContact C-O 3.53Å; L120-K209 VanDerWaalsContact CA-O 3.31Å; L120-K209 WeakPolarHBondContact CA-O 3.43Å; L120-K209 HydrophobicContact CD1-CB 3.94Å; L120-K209 HydrophobicContact CD1-CD 3.99Å; L120-K209 HydrophobicContact CD1-CG 3.9Å; Y121-K209 PolarHBondContact N-O 2.91Å; E191-K209 IonicContact OE2-NZ 3.66Å; E191-K209 PolarHBondContact OE2-NZ 3.02Å; Y193-K209 VanDerWaalsContact OH-CE 3.23Å; Y193-K209 WeakPolarHBondContact OH-CE 3.22Å; Y193-K209 PolarHBondContact OH-NZ 2.84Å
210V98.4Very high95.8Very high0 Ų057.8 Ų57.80%033%0.332CS..EExtended strand (participates in β ladder)trans-112.1126.3167.2-177.50000108.2Y121 V136 V138 L176 I192 I194 V212Y121-V210 HydrophobicContact CD2-CG2 4.39Å; Y121-V210 WeakPolarHBondContact O-CA 3.37Å; V136-V210 HydrophobicContact CG1-CG1 3.56Å; V136-V210 HydrophobicContact CG1-CG2 4.29Å; V138-V210 HydrophobicContact CG1-CG2 3.77Å; L176-V210 HydrophobicContact CD2-CG1 4.06Å; I192-V210 HydrophobicContact CB-CB 4.27Å; I192-V210 PolarHBondContact N-O 3.39Å; I192-V210 PolarHBondContact O-N 3.15Å; I194-V210 HydrophobicContact CD1-CG2 3.59Å; I194-V210 HydrophobicContact CG1-CG2 4.24Å; V210-V212 HydrophobicContact CG1-CG2 3.91Å
211L98.3Very high95.8Very high14 Ų1461.8 Ų61.87%0.07336%0.364CS..EExtended strand (participates in β ladder)trans-107.1112.8175.3-167.871.2000109.2L120 Y121 R122 A123 L189 E191L120-L211 HydrophobicContact CD1-CB 4.24Å; Y121-L211 PolarHBondContact O-N 3.17Å; R122-L211 WeakPolarHBondContact CA-O 3.13Å; R122-L211 HydrophobicContact CG-CB 4.38Å; R122-L211 VanDerWaalsContact NH1-CD2 3.32Å; A123-L211 PolarHBondContact N-O 3.31Å; L189-L211 HydrophobicContact CD1-CD1 3.62Å; L189-L211 HydrophobicContact CD1-CD2 4.03Å; L189-L211 HydrophobicContact CD1-CG 3.59Å; L189-L211 HydrophobicContact CD2-CD1 3.85Å; L189-L211 HydrophobicContact CG-CD1 3.62Å; L189-L211 HydrophobicContact CG-CG 4.19Å; E191-L211 HydrophobicContact CG-CD1 3.71Å
212V98.3Very high96.1Very high0 Ų063.5 Ų63.50%037%0.367CS..EExtended strand (participates in β ladder)trans-105.5109.5179.5-1740000108.7A123 V125 V135 F167 L176 L189 H190 I192 V210A123-V212 WeakPolarHBondContact O-CA 3.31Å; V125-V212 HydrophobicContact CG1-CG1 4.28Å; V125-V212 HydrophobicContact CG2-CG1 3.49Å; V125-V212 VanDerWaalsContact CG2-CG1 3.49Å; V135-V212 HydrophobicContact CG1-CG1 4.02Å; V135-V212 HydrophobicContact CG1-CG2 3.76Å; F167-V212 HydrophobicContact CE1-CG1 4.26Å; F167-V212 HydrophobicContact CE1-CG2 4.39Å; F167-V212 HydrophobicContact CZ-CB 4.46Å; F167-V212 HydrophobicContact CZ-CG1 4.27Å; F167-V212 HydrophobicContact CZ-CG2 4.5Å; L176-V212 HydrophobicContact CD2-CG2 4.36Å; L189-V212 WeakPolarHBondContact CA-O 3.22Å; H190-V212 HydrophobicContact CB-CB 4.25Å; H190-V212 PolarHBondContact N-O 2.86Å; H190-V212 PolarHBondContact O-N 3.4Å; I192-V212 HydrophobicContact CD1-CG2 3.9Å; V210-V212 HydrophobicContact CG1-CG2 3.91Å
213E98.4Very high96.1Very high46 Ų4665 Ų6522%0.21537%0.37CS..EExtended strand (participates in β ladder)trans-84.5118.1172.9-75.2169.1-159.100108.7R122 A123 R124 V125 L189R122-E213 IonicContact NH1-OE1 2.76Å; A123-E213 PolarHBondContact O-N 3.16Å; R124-E213 VanDerWaalsContact CA-O 3.31Å; R124-E213 WeakPolarHBondContact CA-O 3.38Å; R124-E213 HydrophobicContact CG-CB 3.92Å; R124-E213 IonicContact CZ-OE2 3.21Å; R124-E213 IonicContact NE-OE2 3.1Å; R124-E213 PolarHBondContact NE-OE2 3.44Å; R124-E213 IonicContact NH2-OE2 2.83Å; R124-E213 PolarHBondContact NH2-OE2 2.76Å; V125-E213 PolarHBondContact N-O 3.09Å; L189-E213 HydrophobicContact CD1-CB 4.3Å; L189-E213 HydrophobicContact CD1-CG 3.47Å; L189-E213 VanDerWaalsContact CD1-CG 3.47Å
214V98.1Very high95.8Very high8 Ų870.2 Ų70.25%0.04839%0.393CS..EExtended strand (participates in β ladder)trans-81133.5173.4-174.80000108.2V125 E127 L182 F184 T187 K188V125-V214 CarbonylContact O-C 3.56Å; V125-V214 WeakPolarHBondContact O-CA 3.43Å; E127-V214 HydrophobicContact CB-CG1 3.64Å; L182-V214 HydrophobicContact CB-CG1 4.43Å; L182-V214 HydrophobicContact CD1-CG2 4.41Å; F184-V214 HydrophobicContact CB-CG1 4.11Å; F184-V214 HydrophobicContact CD2-CB 4.36Å; F184-V214 HydrophobicContact CD2-CG1 4.28Å; F184-V214 VanDerWaalsContact CD2-O 3.32Å; F184-V214 WeakPolarHBondContact CD2-O 3.36Å; F184-V214 WeakPolarHBondContact CE2-O 3.18Å; T187-V214 WeakPolarHBondContact O-CG2 3.47Å; K188-V214 PolarHBondContact O-N 2.84Å
215V98.3Very high95.5Very high58 Ų5870.8 Ų70.835%0.35240%0.403SS..EExtended strand (participates in β ladder)trans-105.5121.9-180-179.90000108.5R124 V125 L126 E127R124-V215 HydrophobicContact CB-CG2 4.19Å; V125-V215 PolarHBondContact O-N 3.47Å; L126-V215 HydrophobicContact CD2-CB 4.01Å; L126-V215 HydrophobicContact CD2-CG1 3.85Å; E127-V215 PolarHBondContact N-O 2.94Å; E127-V215 VanDerWaalsContact N-O 3.16Å
216D97.7Very high94.8Very high87 Ų8774.2 Ų74.247%0.46542%0.416SS..  trans-55.3135.5176.3-1742.8000112.5E127 F184E127-D216 WeakPolarHBondContact OE1-CA 3.47Å; F184-D216 HydrophobicContact CB-CB 4.44Å; F184-D216 HydrophobicContact CD1-CB 3.54Å; F184-D216 HydrophobicContact CD2-CB 3.88Å; F184-D216 HydrophobicContact CE1-CB 3.59Å; F184-D216 HydrophobicContact CE2-CB 3.92Å; F184-D216 HydrophobicContact CG-CB 3.69Å; F184-D216 HydrophobicContact CZ-CB 3.78Å
217V97.6Very high94Very high41 Ų4179.4 Ų79.425%0.24845%0.446CS..  trans-125.3131.11721770000106.9L126 E127 D219L126-V217 HydrophobicContact CB-CG2 4.32Å; L126-V217 HydrophobicContact CD2-CG2 3.96Å; E127-V217 HydrophobicContact CG-CB 4.09Å; E127-V217 HydrophobicContact CG-CG2 4.14Å; E127-V217 WeakPolarHBondContact OE1-CA 3.31Å; E127-V217 PolarHBondContact OE1-N 3.44Å; V217-D219 VanDerWaalsContact C-N 3.31Å; V217-D219 PolarHBondContact O-N 3.27Å
218N96.1Very high92.9Very high153 Ų15378.5 Ų78.582%0.81845%0.452SS*.  trans-68.384.2-179.917964.4000112.5
219D93.4Very high91.7Very high102 Ų10283.7 Ų83.755%0.54548%0.483SS..  trans-113.2-9.6-178.773.6-19000113.2V217V217-D219 VanDerWaalsContact C-N 3.31Å; V217-D219 PolarHBondContact O-N 3.27Å
220N93.1Very high90.2Very high96 Ų9690.8 Ų90.851%0.51351%0.51SS..  trans-99.8115.7176.5-76.1-76.9000111.5E185E185-N220 PolarHBondContact OE2-ND2 2.84Å
221A93.4Very high89Confident93 Ų9395.5 Ų95.577%0.76954%0.542SS*.PPolyproline II helixtrans-78.3147.1175.900000111.7E223A221-E223 PolarHBondContact O-N 3.03Å
222P92.9Very high87.9Confident130 Ų130100.2 Ų100.284%0.84457%0.574SS**PPolyproline II helixtrans-66.5134.117827.2-34.2000111.7
223E91.6Very high87Confident172 Ų172104.5 Ų104.580%0.80460%0.6SS**PPolyproline II helixtrans-102.2134.6176.3-169.5175.9-176.100111.4A221 T225A221-E223 PolarHBondContact O-N 3.03Å; E223-T225 HydrophobicContact CG-CG2 4.41Å
224I87.3Confident86.3Confident157 Ų157106 Ų10681%0.80561%0.613SS**  trans-102.2111.2174.4-58.3175.5000108.6
225T85.7Confident85.8Confident99 Ų99115.4 Ų115.461%0.60766%0.657SS**  trans-102.4116.7172.453.60000110.7E223 T227E223-T225 HydrophobicContact CG-CG2 4.41Å; T225-T227 PolarHBondContact O-N 3.18Å
226V82.1Confident85.3Confident108 Ų108119 Ų11966%0.65567%0.674SS**  trans-83.9105.6174.4-174.60000108.9V229V226-V229 HydrophobicContact CG1-CG2 3.44Å; V226-V229 VanDerWaalsContact CG1-CG2 3.44Å
227T80.5Confident84.8Confident131 Ų131116.7 Ų116.780%0.80467%0.667SS**  trans-82.9-16.8-174.149.30000114.2T225T225-T227 PolarHBondContact O-N 3.18Å
228S73.8Confident84.3Confident90 Ų90119.5 Ų119.563%0.62969%0.686SS**  trans-156.3131.5176.353.60000110.2
229V72.9Confident83.7Confident114 Ų114121.1 Ų121.169%0.69169%0.694SS**  trans-123.1115.8167-173.40000106.6V226V226-V229 HydrophobicContact CG1-CG2 3.44Å; V226-V229 VanDerWaalsContact CG1-CG2 3.44Å
230Y67.3Low83.2Confident208 Ų208119.7 Ų119.782%0.81670%0.703SS**  trans-89.7107.5164.6-126.2-92.3000107.3
231S71.9Confident82.5Confident98 Ų98119 Ų11969%0.68570%0.702SS**  trans-139130.3178.3177.20000110.5
232P76.3Confident81.2Confident113 Ų113124 Ų12473%0.73472%0.723SS**SBendcis-81.5152.50.330.8-31.9000113.6
233V78.6Confident80.6Confident91 Ų91123.8 Ų123.855%0.55272%0.717SS**PPolyproline II helixtrans-77.1126.5170.7-179.30000108.8A237V233-A237 HydrophobicContact CG1-CB 3.69Å
234P84.9Confident80.1Confident76 Ų76121.2 Ų121.249%0.49471%0.713SS.*PPolyproline II helixtrans-59147.4176.8-25.235.2000113.2D236 A237P234-D236 VanDerWaalsContact CB-OD1 3.23Å; P234-D236 WeakPolarHBondContact CB-OD1 3.24Å; P234-D236 PolarHBondContact O-N 2.93Å; P234-A237 VanDerWaalsContact O-CB 3.29Å; P234-A237 WeakPolarHBondContact O-CB 3.17Å; P234-A237 PolarHBondContact O-N 3.29Å
235E85.8Confident79.7Confident206 Ų206119.2 Ų119.296%0.96371%0.708SS**THydrogen-bonded Turntrans-67.1-17.2-177.963.8-175.3179.200114.3
236D88.9Confident79.3Confident134 Ų134120.4 Ų120.472%0.71771%0.713SS**THydrogen-bonded Turntrans-99.612177.666-22.8000113.4P234P234-D236 VanDerWaalsContact CB-OD1 3.23Å; P234-D236 WeakPolarHBondContact CB-OD1 3.24Å; P234-D236 PolarHBondContact O-N 2.93Å
237A85.8Confident79.1Confident39 Ų39121.2 Ų121.232%0.32272%0.717SS.*PPolyproline II helixtrans-58.3128.7178.700000111.7V233 P234 T241V233-A237 HydrophobicContact CG1-CB 3.69Å; P234-A237 VanDerWaalsContact O-CB 3.29Å; P234-A237 WeakPolarHBondContact O-CB 3.17Å; P234-A237 PolarHBondContact O-N 3.29Å; A237-T241 HydrophobicContact CB-CG2 4.5Å
238P87.4Confident79.1Confident99 Ų99120.5 Ų120.564%0.64371%0.711SS**PPolyproline II helixtrans-67.7157.9-179.727.7-34.1000112G240 T241P238-G240 PolarHBondContact O-N 2.58Å; P238-T241 PolarHBondContact O-N 3Å; P238-T241 PolarHBondContact O-OG1 3.38Å
239L84.3Confident79.4Confident188 Ų188122.7 Ų122.798%0.98472%0.717SS**THydrogen-bonded Turntrans-56.1125.5174.6-66.7172.8000110.5
240G83.3Confident79.9Confident71 Ų71123.4 Ų123.473%0.73272%0.719SS**THydrogen-bonded Turntrans97.79.4179.600000115.7P238 V242P238-G240 PolarHBondContact O-N 2.58Å; G240-V242 PolarHBondContact O-N 3.27Å
241T78.6Confident81Confident82 Ų82116.3 Ų116.350%0.50371%0.711SS.*  trans-58.7121.7167.1-56.10000110.2A237 P238A237-T241 HydrophobicContact CB-CG2 4.5Å; P238-T241 PolarHBondContact O-N 3Å; P238-T241 PolarHBondContact O-OG1 3.38Å
242V66Low81.8Confident199 Ų199118 Ų118100%1.20671%0.714SS**  trans-111.10179.8-830000111.4G240G240-V242 PolarHBondContact O-N 3.27Å

Retrieved 242 of 242 residues in 47.4 ms (Link to these results)