A0A077ZGV8_TRITR Loading...

DUF5648 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZGV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 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
1M43Very low63.3Low222 Ų22289.7 Ų89.7100%1.09447%0.468SS*.  0105.50-169.5175.2-179.400108.2L3M1-L3 PolarHBondContact O-N 3.08Å
2R49.2Very low64.8Low239 Ų23991.9 Ų91.990%0.90248%0.48SS*.PPolyproline II helixtrans-74.2118.3172.1-75.2-176179-161.6-0.4107.1
3L52.9Low66.6Low84 Ų8485 Ų8544%0.4444%0.444SS..PPolyproline II helixtrans-60.5149.9167.6-73.2160.2000108.2M1 K7 I8 Q119M1-L3 PolarHBondContact O-N 3.08Å; L3-K7 HydrophobicContact CB-CB 4.36Å; L3-K7 HydrophobicContact CD2-CB 4.2Å; L3-K7 HydrophobicContact CD2-CD 3.68Å; L3-I8 HydrophobicContact CB-CG1 4.32Å; L3-Q119 VanDerWaalsContact O-CD 3.29Å; L3-Q119 PolarHBondContact O-NE2 3.16Å; L3-Q119 PolarHBondContact O-OE1 3.04Å; L3-Q119 VanDerWaalsContact O-OE1 3.1Å
4A64.7Low68.4Low62 Ų6279.6 Ų79.651%0.51242%0.416SS..PPolyproline II helixtrans-69.5146.5165.600000108G6 K7A4-G6 PolarHBondContact O-N 3.1Å; A4-G6 VanDerWaalsContact O-N 3.16Å; A4-K7 HydrophobicContact CB-CG 4.46Å; A4-K7 WeakPolarHBondContact O-CA 3.31Å; A4-K7 WeakPolarHBondContact O-CB 2.96Å; A4-K7 PolarHBondContact O-N 2.82Å
5L63.5Low70.1Confident20 Ų2076.4 Ų76.411%0.10540%0.398CS..Hα-helixtrans-55.1-36.4179.5-165.6113.7000112.3K7 I8 F9 L11 L14 Q119 W162 F166L5-K7 PolarHBondContact O-N 2.67Å; L5-K7 VanDerWaalsContact O-N 3.08Å; L5-I8 PolarHBondContact O-N 3.43Å; L5-F9 HydrophobicContact CG-CD2 4.44Å; L5-F9 PolarHBondContact O-N 3.41Å; L5-L11 HydrophobicContact CD2-CD2 3.64Å; L5-L14 HydrophobicContact CD2-CD1 3.44Å; L5-L14 VanDerWaalsContact CD2-CD1 3.44Å; L5-Q119 HydrophobicContact CD1-CB 4.37Å; L5-W162 HydrophobicContact CD1-CG 4.16Å; L5-F166 HydrophobicContact CB-CD1 4.35Å; L5-F166 HydrophobicContact CB-CE1 4.49Å; L5-F166 HydrophobicContact CD1-CD1 4.28Å; L5-F166 HydrophobicContact CD1-CE1 3.93Å; L5-F166 HydrophobicContact CD2-CD1 3.77Å; L5-F166 HydrophobicContact CD2-CE1 3.12Å; L5-F166 HydrophobicContact CD2-CE2 4.21Å; L5-F166 HydrophobicContact CD2-CZ 3.38Å; L5-F166 HydrophobicContact CG-CD1 4.33Å; L5-F166 HydrophobicContact CG-CE1 4Å
6G62.2Low71.6Confident48 Ų4876.5 Ų76.550%0.49540%0.395SS..Hα-helixtrans-60.1-13.6173.200000115.4A4 F9A4-G6 PolarHBondContact O-N 3.1Å; A4-G6 VanDerWaalsContact O-N 3.16Å; G6-F9 CarbonylContact C-O 3.55Å; G6-F9 VanDerWaalsContact CA-O 3.31Å; G6-F9 WeakPolarHBondContact CA-O 3.49Å
7K67.5Low73Confident137 Ų13772 Ų7260%0.59637%0.371SS*.Hα-helixtrans-89.6-20.4170.9-64.5-172.2175.3-173.20112.9L3 A4 L5L3-K7 HydrophobicContact CB-CB 4.36Å; L3-K7 HydrophobicContact CD2-CB 4.2Å; L3-K7 HydrophobicContact CD2-CD 3.68Å; A4-K7 HydrophobicContact CB-CG 4.46Å; A4-K7 WeakPolarHBondContact O-CA 3.31Å; A4-K7 WeakPolarHBondContact O-CB 2.96Å; A4-K7 PolarHBondContact O-N 2.82Å; L5-K7 PolarHBondContact O-N 2.67Å; L5-K7 VanDerWaalsContact O-N 3.08Å
8I72.3Confident74.3Confident13 Ų1368.2 Ų68.27%0.06735%0.352CS..Hα-helixtrans-90-45177.8-54.4-177.2000110.1L3 L5 A66 C67 C118 Q119L3-I8 HydrophobicContact CB-CG1 4.32Å; L5-I8 PolarHBondContact O-N 3.43Å; I8-A66 PolarHBondContact O-N 2.9Å; I8-C67 HydrophobicContact CG2-CB 3.82Å; I8-C118 HydrophobicContact CG2-CB 4.25Å; I8-Q119 HydrophobicContact CD1-CB 4.07Å; I8-Q119 HydrophobicContact CD1-CG 3.52Å
9F75.7Confident75.5Confident0 Ų064.8 Ų64.80%033%0.334CS..SBendtrans-132.9134-177.9-54.3-68.5000109.1L5 G6 L11 V57 N65 C67 L70 C118 W162L5-F9 HydrophobicContact CG-CD2 4.44Å; L5-F9 PolarHBondContact O-N 3.41Å; G6-F9 CarbonylContact C-O 3.55Å; G6-F9 VanDerWaalsContact CA-O 3.31Å; G6-F9 WeakPolarHBondContact CA-O 3.49Å; F9-L11 PolarHBondContact O-N 3.16Å; F9-V57 HydrophobicContact CD1-CG2 3.68Å; F9-V57 HydrophobicContact CE1-CG2 3.7Å; F9-V57 HydrophobicContact CG-CG2 4.28Å; F9-V57 HydrophobicContact CZ-CG2 4.28Å; F9-N65 HydrophobicContact CD1-CB 3.7Å; F9-N65 HydrophobicContact CE1-CB 3.8Å; F9-C67 HydrophobicContact CE1-CB 3.55Å; F9-C67 HydrophobicContact CE2-CB 4.47Å; F9-C67 HydrophobicContact CZ-CB 3.38Å; F9-L70 HydrophobicContact CE1-CD1 4.07Å; F9-L70 HydrophobicContact CE1-CD2 4.01Å; F9-L70 HydrophobicContact CE1-CG 4.25Å; F9-L70 HydrophobicContact CZ-CD2 4.12Å; F9-C118 HydrophobicContact CE2-CB 4.32Å; F9-C118 HydrophobicContact CZ-CB 4.1Å; F9-W162 HydrophobicContact CD2-CZ2 4.32Å; F9-W162 HydrophobicContact CE1-CH2 4.5Å; F9-W162 HydrophobicContact CE1-CZ2 4.36Å; F9-W162 HydrophobicContact CE2-CD2 4.17Å; F9-W162 AromaticContact CE2-CE2 3.29Å; F9-W162 HydrophobicContact CE2-CH2 4.04Å; F9-W162 AromaticContact CE2-CZ2 3.23Å; F9-W162 HydrophobicContact CE2-CZ2 3.23Å; F9-W162 AromaticContact CE2-NE1 3.45Å; F9-W162 AromaticContact CZ-CE2 3.85Å; F9-W162 AromaticContact CZ-CH2 3.73Å; F9-W162 HydrophobicContact CZ-CH2 3.73Å; F9-W162 AromaticContact CZ-CZ2 3.25Å; F9-W162 HydrophobicContact CZ-CZ2 3.25Å
10P74.9Confident76.6Confident68 Ų6861.6 Ų61.644%0.44232%0.317SS..  trans-50.8130.7156.4-24.136.1000108.9D12 S13P10-D12 WeakPolarHBondContact CB-OD1 3.31Å; P10-D12 PolarHBondContact O-N 3.32Å; P10-D12 VanDerWaalsContact O-N 3.16Å; P10-S13 VanDerWaalsContact O-CB 3.31Å; P10-S13 WeakPolarHBondContact O-CB 3.33Å; P10-S13 PolarHBondContact O-N 2.9Å; P10-S13 PolarHBondContact O-OG 2.88Å
11L70.5Confident77.5Confident94 Ų9460.6 Ų60.649%0.49231%0.31SS..G310 helixtrans-62.4-26.1-174.9-68.7179.9000112.6L5 F9 S13 L14 F166L5-L11 HydrophobicContact CD2-CD2 3.64Å; F9-L11 PolarHBondContact O-N 3.16Å; L11-S13 PolarHBondContact O-N 2.95Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-F166 HydrophobicContact CD2-CD2 3.93Å; L11-F166 HydrophobicContact CD2-CE2 3.55Å; L11-F166 HydrophobicContact CD2-CZ 3.97Å
12D81.2Confident80Confident116 Ų11650 Ų5062%0.6226%0.258SS*.G310 helixtrans-72.8-10.1173.869.2-36.3000113.3P10 L14P10-D12 WeakPolarHBondContact CB-OD1 3.31Å; P10-D12 PolarHBondContact O-N 3.32Å; P10-D12 VanDerWaalsContact O-N 3.16Å; D12-L14 VanDerWaalsContact C-N 3.29Å
13S88.7Confident81.9Confident2 Ų244.3 Ų44.31%0.01425%0.25CS..G310 helixtrans-80.2-8.8173.584.20000113.4P10 L11 V57 S58P10-S13 VanDerWaalsContact O-CB 3.31Å; P10-S13 WeakPolarHBondContact O-CB 3.33Å; P10-S13 PolarHBondContact O-N 2.9Å; P10-S13 PolarHBondContact O-OG 2.88Å; L11-S13 PolarHBondContact O-N 2.95Å; S13-V57 CarbonylContact O-C 3.57Å; S13-V57 WeakPolarHBondContact O-CA 3.31Å; S13-S58 PolarHBondContact O-N 3.42Å
14L91.6Very high83.6Confident9 Ų951.3 Ų51.35%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-104.1116-173.7-70.3175.1000112.4L5 L11 D12 R55 W56 V57 W162 F166L5-L14 HydrophobicContact CD2-CD1 3.44Å; L5-L14 VanDerWaalsContact CD2-CD1 3.44Å; L11-L14 PolarHBondContact O-N 3.41Å; D12-L14 VanDerWaalsContact C-N 3.29Å; L14-R55 HydrophobicContact CB-CB 4.09Å; L14-R55 PolarHBondContact O-NH1 3.5Å; L14-W56 WeakPolarHBondContact CA-O 3.32Å; L14-V57 HydrophobicContact CD2-CB 4.48Å; L14-V57 HydrophobicContact CD2-CG2 3.64Å; L14-W162 HydrophobicContact CD1-CB 4.33Å; L14-W162 HydrophobicContact CD1-CG 4.47Å; L14-W162 HydrophobicContact CD2-CD2 4.01Å; L14-W162 HydrophobicContact CD2-CE3 3.58Å; L14-W162 HydrophobicContact CD2-CG 4.42Å; L14-W162 HydrophobicContact CD2-CZ3 4.22Å; L14-F166 HydrophobicContact CD1-CE1 4.33Å; L14-F166 HydrophobicContact CD1-CZ 3.76Å
15E93.5Very high84.7Confident32 Ų3250.1 Ų50.115%0.1526%0.261CS..EExtended strand (participates in β ladder)trans-96.3138.2179.5-66.7179.2177.200110.9V17 T32 T34 R55 W56 S58E15-V17 PolarHBondContact O-N 2.99Å; E15-T32 HydrophobicContact CB-CG2 3.78Å; E15-T32 WeakPolarHBondContact OE2-CG2 3.43Å; E15-T32 PolarHBondContact OE2-OG1 2.85Å; E15-T34 HydrophobicContact CB-CG2 4.4Å; E15-T34 HydrophobicContact CG-CG2 3.81Å; E15-T34 PolarHBondContact OE2-OG1 3.24Å; E15-R55 CarbonylContact O-C 3.55Å; E15-R55 WeakPolarHBondContact O-CA 3.44Å; E15-R55 WeakPolarHBondContact O-CB 3.43Å; E15-W56 PolarHBondContact N-O 2.82Å; E15-W56 PolarHBondContact O-N 2.87Å; E15-W56 VanDerWaalsContact O-N 3.13Å; E15-S58 WeakPolarHBondContact OE1-CB 3.4Å; E15-S58 PolarHBondContact OE1-OG 2.83Å
16K94.3Very high86Confident78 Ų7850.3 Ų50.334%0.33926%0.263SS..EExtended strand (participates in β ladder)trans-64.6131.3173.5-73.8-171.9173.7-157.20109.9T32 V52 R55 E164K16-T32 WeakPolarHBondContact O-CA 3.35Å; K16-T32 WeakPolarHBondContact O-CG2 3.48Å; K16-V52 HydrophobicContact CB-CG1 4.29Å; K16-V52 HydrophobicContact CD-CG1 4.44Å; K16-V52 HydrophobicContact CD-CG2 4.12Å; K16-V52 HydrophobicContact CG-CG1 4.37Å; K16-R55 VanDerWaalsContact CE-NH2 3.28Å; K16-R55 HydrophobicContact CG-CG 4.39Å; K16-E164 IonicContact NZ-OE1 3.59Å; K16-E164 PolarHBondContact NZ-OE1 3.16Å
17V96.1Very high87.5Confident0 Ų048.2 Ų48.20%024%0.24CC..EExtended strand (participates in β ladder)trans-102.7113.6174.2-173.80000107.9E15 L30 V52 I53 G54 W56E15-V17 PolarHBondContact O-N 2.99Å; V17-L30 HydrophobicContact CG1-CB 3.88Å; V17-V52 CarbonylContact O-C 3.52Å; V17-V52 WeakPolarHBondContact O-CA 3.38Å; V17-I53 HydrophobicContact CB-CG1 4.01Å; V17-I53 HydrophobicContact CG1-CD1 4.02Å; V17-I53 HydrophobicContact CG1-CG1 3.84Å; V17-I53 WeakPolarHBondContact O-CG1 3.16Å; V17-I53 PolarHBondContact O-N 3.32Å; V17-G54 PolarHBondContact N-O 2.86Å; V17-W56 HydrophobicContact CB-CE3 4.48Å; V17-W56 HydrophobicContact CG1-CE3 4.12Å; V17-W56 HydrophobicContact CG1-CH2 3.89Å; V17-W56 HydrophobicContact CG1-CZ2 4.32Å; V17-W56 HydrophobicContact CG1-CZ3 3.79Å; V17-W56 HydrophobicContact CG2-CB 4.16Å; V17-W56 HydrophobicContact CG2-CD2 3.25Å; V17-W56 HydrophobicContact CG2-CE3 3.53Å; V17-W56 HydrophobicContact CG2-CG 3.54Å; V17-W56 HydrophobicContact CG2-CH2 4.28Å; V17-W56 HydrophobicContact CG2-CZ2 4.08Å; V17-W56 HydrophobicContact CG2-CZ3 4.03Å
18T96.3Very high88.9Confident4 Ų441.7 Ų41.73%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-99.8132.3176.1-61.30000109Y20 E31 D33 S49T18-Y20 HydrophobicContact CG2-CD2 4.04Å; T18-Y20 HydrophobicContact CG2-CE1 4.08Å; T18-Y20 HydrophobicContact CG2-CE2 3.44Å; T18-Y20 VanDerWaalsContact CG2-CE2 3.44Å; T18-Y20 VanDerWaalsContact CG2-CZ 3.45Å; T18-Y20 WeakPolarHBondContact O-CD2 3.3Å; T18-E31 PolarHBondContact N-O 2.8Å; T18-E31 PolarHBondContact O-N 3.05Å; T18-D33 PolarHBondContact OG1-OD2 2.95Å; T18-S49 WeakPolarHBondContact CG2-OG 3.34Å
19R97.1Very high90.1Very high3 Ų342.9 Ų42.91%0.01122%0.216CC..EExtended strand (participates in β ladder)trans-87.6130.6173-178.7179.8-176.5-121.4-10.9109.4N28 R29 L30 L50 G51 I53 Q136 Q141 Y145R19-N28 PolarHBondContact NE-OD1 3.48Å; R19-N28 PolarHBondContact NH2-OD1 3.01Å; R19-R29 CarbonylContact C-O 3.55Å; R19-R29 WeakPolarHBondContact CA-O 2.94Å; R19-L30 HydrophobicContact CB-CD2 3.9Å; R19-L30 HydrophobicContact CG-CD2 3.89Å; R19-L50 HydrophobicContact CB-CB 4.39Å; R19-L50 HydrophobicContact CG-CB 4.34Å; R19-L50 HydrophobicContact CG-CD1 4.36Å; R19-L50 PolarHBondContact O-N 2.82Å; R19-G51 PolarHBondContact N-O 3.42Å; R19-I53 HydrophobicContact CB-CG2 3.5Å; R19-Q136 PolarHBondContact NE-O 3.34Å; R19-Q141 VanDerWaalsContact CD-OE1 3.27Å; R19-Y145 PolarHBondContact NH1-OH 3.04Å; R19-Y145 PolarHBondContact NH2-OH 3.26Å
20Y96.7Very high91.1Very high0 Ų042.9 Ų42.90%022%0.216CC..EExtended strand (participates in β ladder)trans-121.5148.3172.4-58.6-95.4000109.7T18 R29 E31 D33 Q39 L42 F43 G48T18-Y20 HydrophobicContact CG2-CD2 4.04Å; T18-Y20 HydrophobicContact CG2-CE1 4.08Å; T18-Y20 HydrophobicContact CG2-CE2 3.44Å; T18-Y20 VanDerWaalsContact CG2-CE2 3.44Å; T18-Y20 VanDerWaalsContact CG2-CZ 3.45Å; T18-Y20 WeakPolarHBondContact O-CD2 3.3Å; Y20-R29 PolarHBondContact N-O 3.22Å; Y20-R29 PolarHBondContact O-N 3.39Å; Y20-E31 HydrophobicContact CD2-CB 4.3Å; Y20-E31 HydrophobicContact CD2-CG 4.42Å; Y20-E31 HydrophobicContact CE2-CB 4.19Å; Y20-D33 PolarHBondContact OH-OD1 3.33Å; Y20-Q39 HydrophobicContact CE1-CG 4.14Å; Y20-Q39 PolarHBondContact OH-NE2 3.49Å; Y20-Q39 VanDerWaalsContact OH-NE2 3.09Å; Y20-L42 HydrophobicContact CD1-CD1 3.92Å; Y20-L42 HydrophobicContact CD2-CD1 3.5Å; Y20-L42 HydrophobicContact CE1-CD1 4.16Å; Y20-L42 HydrophobicContact CE2-CD1 3.76Å; Y20-L42 HydrophobicContact CG-CD1 3.59Å; Y20-F43 HydrophobicContact CD1-CE1 4.03Å; Y20-F43 AromaticContact CE1-CE1 3.76Å; Y20-F43 HydrophobicContact CE1-CE1 3.76Å; Y20-F43 HydrophobicContact CE1-CZ 4.2Å; Y20-G48 CarbonylContact C-O 3.55Å; Y20-G48 VanDerWaalsContact CA-O 3.23Å; Y20-G48 WeakPolarHBondContact CA-O 2.99Å
21Y96.3Very high92.1Very high41 Ų4140.3 Ų40.316%0.16120%0.198CC..EExtended strand (participates in β ladder)trans-141.4137178.6-169.1-103.1000111.5T23 D27 N28 F47 G48 L50 V135Y21-T23 HydrophobicContact CD1-CG2 4.15Å; Y21-T23 HydrophobicContact CE1-CG2 3.98Å; Y21-D27 WeakPolarHBondContact CA-O 3.41Å; Y21-D27 VanDerWaalsContact CD2-O 3.25Å; Y21-D27 WeakPolarHBondContact CD2-O 3.47Å; Y21-N28 HydrophobicContact CD2-CB 4.02Å; Y21-N28 HydrophobicContact CE2-CB 4.28Å; Y21-F47 WeakPolarHBondContact O-CA 3.32Å; Y21-G48 PolarHBondContact N-O 3.12Å; Y21-G48 PolarHBondContact O-N 2.93Å; Y21-L50 HydrophobicContact CG-CD1 4.49Å; Y21-V135 HydrophobicContact CE2-CG1 4.23Å
22S95.2Very high93.2Very high1 Ų136.5 Ų36.51%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-112.5116.1172176.30000109.3R24 A25 T26 D27S22-R24 PolarHBondContact O-N 3.48Å; S22-R24 PolarHBondContact OG-N 3.42Å; S22-A25 PolarHBondContact OG-N 2.89Å; S22-A25 VanDerWaalsContact OG-N 3.14Å; S22-T26 WeakPolarHBondContact O-CA 3.26Å; S22-T26 PolarHBondContact O-N 3.44Å; S22-D27 PolarHBondContact N-O 3.47Å; S22-D27 PolarHBondContact O-N 2.89Å
23T89.4Confident93.1Very high119 Ų11934.6 Ų34.673%0.7317%0.168SC*.THydrogen-bonded Turntrans-68.4-28.4173.653.10000111.9Y21Y21-T23 HydrophobicContact CD1-CG2 4.15Å; Y21-T23 HydrophobicContact CE1-CG2 3.98Å
24R88Confident92.6Very high230 Ų23038.5 Ų38.587%0.86819%0.192SC*.THydrogen-bonded Turntrans-70.5-45.3178-179.2-178.1175.4-166.8-0.6112.2S22S22-R24 PolarHBondContact O-N 3.48Å; S22-R24 PolarHBondContact OG-N 3.42Å
25A88.3Confident92Very high38 Ų3842.1 Ų42.131%0.31422%0.215SC..THydrogen-bonded Turntrans-90.6-11-179.600000113.1S22 D27 T82S22-A25 PolarHBondContact OG-N 2.89Å; S22-A25 VanDerWaalsContact OG-N 3.14Å; A25-D27 HydrophobicContact CB-CB 4.06Å; A25-D27 PolarHBondContact O-N 2.89Å; A25-T82 PolarHBondContact O-OG1 2.87Å
26T89.8Confident91.4Very high24 Ų2447.6 Ų47.615%0.14725%0.25CC..THydrogen-bonded Turntrans54.128.1-168.262.60000113.6S22 T82 Y132S22-T26 WeakPolarHBondContact O-CA 3.26Å; S22-T26 PolarHBondContact O-N 3.44Å; T26-T82 PolarHBondContact OG1-OG1 2.78Å; T26-Y132 HydrophobicContact CG2-CD1 3.54Å; T26-Y132 HydrophobicContact CG2-CE1 3.6Å
27D94.9Very high91Very high4 Ų446.5 Ų46.52%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-98.3135.2-174.1-1696.4000111.2Y21 S22 A25 R29 F47 T82 S83 T84Y21-D27 WeakPolarHBondContact CA-O 3.41Å; Y21-D27 VanDerWaalsContact CD2-O 3.25Å; Y21-D27 WeakPolarHBondContact CD2-O 3.47Å; S22-D27 PolarHBondContact N-O 3.47Å; S22-D27 PolarHBondContact O-N 2.89Å; A25-D27 HydrophobicContact CB-CB 4.06Å; A25-D27 PolarHBondContact O-N 2.89Å; D27-R29 IonicContact OD1-NE 2.95Å; D27-R29 IonicContact OD2-CZ 3.55Å; D27-R29 VanDerWaalsContact OD2-CZ 3.29Å; D27-R29 IonicContact OD2-NE 3.29Å; D27-R29 PolarHBondContact OD2-NE 2.62Å; D27-R29 IonicContact OD2-NH2 2.63Å; D27-R29 PolarHBondContact OD2-NH2 3.38Å; D27-F47 HydrophobicContact CB-CE1 3.81Å; D27-F47 HydrophobicContact CB-CZ 3.72Å; D27-F47 WeakPolarHBondContact O-CE1 3.21Å; D27-T82 WeakPolarHBondContact CB-O 3.18Å; D27-S83 WeakPolarHBondContact OD1-CA 3.35Å; D27-T84 VanDerWaalsContact OD1-CB 3.27Å; D27-T84 WeakPolarHBondContact OD1-CB 3.43Å; D27-T84 PolarHBondContact OD1-N 2.9Å; D27-T84 PolarHBondContact OD1-OG1 2.87Å; D27-T84 PolarHBondContact OD2-OG1 2.84Å
28N96.3Very high90.7Very high0 Ų048.5 Ų48.50%027%0.271CS..EExtended strand (participates in β ladder)trans-110.6118.3178.5174.383.9000109.8R19 Y21 T84 V135 Q136R19-N28 PolarHBondContact NE-OD1 3.48Å; R19-N28 PolarHBondContact NH2-OD1 3.01Å; Y21-N28 HydrophobicContact CD2-CB 4.02Å; Y21-N28 HydrophobicContact CE2-CB 4.28Å; N28-T84 WeakPolarHBondContact O-CB 3.27Å; N28-V135 HydrophobicContact CB-CB 4.35Å; N28-V135 HydrophobicContact CB-CG1 4.05Å; N28-Q136 PolarHBondContact ND2-N 2.89Å
29R96.6Very high90.5Very high38 Ų3852.3 Ų52.314%0.14329%0.288CS..EExtended strand (participates in β ladder)trans-116130.8-177.9-63.9-65.3-173.198.92111.2R19 Y20 D27 E31 L42 F47 T84 Y86R19-R29 CarbonylContact C-O 3.55Å; R19-R29 WeakPolarHBondContact CA-O 2.94Å; Y20-R29 PolarHBondContact N-O 3.22Å; Y20-R29 PolarHBondContact O-N 3.39Å; D27-R29 IonicContact OD1-NE 2.95Å; D27-R29 IonicContact OD2-CZ 3.55Å; D27-R29 VanDerWaalsContact OD2-CZ 3.29Å; D27-R29 IonicContact OD2-NE 3.29Å; D27-R29 PolarHBondContact OD2-NE 2.62Å; D27-R29 IonicContact OD2-NH2 2.63Å; D27-R29 PolarHBondContact OD2-NH2 3.38Å; R29-E31 HydrophobicContact CB-CG 3.85Å; R29-E31 WeakPolarHBondContact CD-OE1 3.38Å; R29-E31 IonicContact NH1-OE1 2.77Å; R29-L42 HydrophobicContact CG-CD2 4.35Å; R29-F47 HydrophobicContact CB-CE1 4.34Å; R29-F47 HydrophobicContact CG-CD1 4.09Å; R29-F47 HydrophobicContact CG-CE1 3.46Å; R29-F47 VanDerWaalsContact CG-CE1 3.46Å; R29-F47 HydrophobicContact CG-CZ 3.94Å; R29-T84 VanDerWaalsContact CD-OG1 3.29Å; R29-T84 WeakPolarHBondContact CD-OG1 3.09Å; R29-T84 PolarHBondContact NE-OG1 3.21Å; R29-Y86 WeakPolarHBondContact CA-OH 3.35Å
30L97.6Very high90.2Very high0 Ų054.3 Ų54.30%031%0.31CS..EExtended strand (participates in β ladder)trans-109.3110.2166.5-54.7-174.5000106.7V17 R19 I53 W56 Y86 V124 Q136 F159V17-L30 HydrophobicContact CG1-CB 3.88Å; R19-L30 HydrophobicContact CB-CD2 3.9Å; R19-L30 HydrophobicContact CG-CD2 3.89Å; L30-I53 HydrophobicContact CD1-CD1 4.09Å; L30-I53 HydrophobicContact CD2-CD1 3.66Å; L30-I53 HydrophobicContact CG-CD1 4.42Å; L30-W56 HydrophobicContact CB-CH2 4.11Å; L30-W56 HydrophobicContact CB-CZ3 4.21Å; L30-Y86 HydrophobicContact CB-CD1 4.33Å; L30-Y86 HydrophobicContact CB-CD2 4.12Å; L30-Y86 HydrophobicContact CB-CE1 4.01Å; L30-Y86 HydrophobicContact CB-CE2 3.82Å; L30-Y86 HydrophobicContact CB-CG 4.38Å; L30-Y86 HydrophobicContact CD1-CD2 3.99Å; L30-Y86 HydrophobicContact CD1-CE2 4.45Å; L30-Y86 HydrophobicContact CD1-CG 4.21Å; L30-Y86 HydrophobicContact CG-CD2 3.88Å; L30-Y86 HydrophobicContact CG-CE2 3.84Å; L30-Y86 HydrophobicContact CG-CG 4.42Å; L30-Y86 VanDerWaalsContact N-CE2 3.35Å; L30-Y86 PolarHBondContact N-OH 3.22Å; L30-Y86 WeakPolarHBondContact O-CE1 3.32Å; L30-Y86 VanDerWaalsContact O-CZ 3.22Å; L30-Y86 PolarHBondContact O-OH 3.43Å; L30-V124 HydrophobicContact CD1-CG1 4.28Å; L30-Q136 HydrophobicContact CD1-CB 4.03Å; L30-F159 HydrophobicContact CD1-CZ 4.09Å
31E95.7Very high90.1Very high13 Ų1355.7 Ų55.76%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-137.3152.7-170.5-53-73.1-173.600109.9T18 Y20 R29 M38 L42 K75 Y86T18-E31 PolarHBondContact N-O 2.8Å; T18-E31 PolarHBondContact O-N 3.05Å; Y20-E31 HydrophobicContact CD2-CB 4.3Å; Y20-E31 HydrophobicContact CD2-CG 4.42Å; Y20-E31 HydrophobicContact CE2-CB 4.19Å; R29-E31 HydrophobicContact CB-CG 3.85Å; R29-E31 WeakPolarHBondContact CD-OE1 3.38Å; R29-E31 IonicContact NH1-OE1 2.77Å; E31-M38 HydrophobicContact CB-CE 3.85Å; E31-M38 HydrophobicContact CB-CG 4.44Å; E31-M38 HydrophobicContact CG-CE 3.39Å; E31-M38 WeakPolarHBondContact OE1-CE 3.47Å; E31-M38 WeakPolarHBondContact OE2-CE 3.47Å; E31-L42 HydrophobicContact CG-CD1 4.15Å; E31-K75 WeakPolarHBondContact OE1-CE 3.34Å; E31-K75 IonicContact OE1-NZ 3.39Å; E31-K75 PolarHBondContact OE1-NZ 2.93Å; E31-K75 IonicContact OE2-NZ 3.21Å; E31-K75 PolarHBondContact OE2-NZ 2.82Å; E31-Y86 PolarHBondContact OE1-OH 2.7Å
32T93.2Very high90Very high14 Ų1453.9 Ų53.99%0.08632%0.317CS..EExtended strand (participates in β ladder)trans-95.7147.8173.960.80000110.6E15 K16 T34 W56E15-T32 HydrophobicContact CB-CG2 3.78Å; E15-T32 WeakPolarHBondContact OE2-CG2 3.43Å; E15-T32 PolarHBondContact OE2-OG1 2.85Å; K16-T32 WeakPolarHBondContact O-CA 3.35Å; K16-T32 WeakPolarHBondContact O-CG2 3.48Å; T32-T34 PolarHBondContact O-N 2.01Å; T32-T34 PolarHBondContact OG1-OG1 2.77Å; T32-W56 HydrophobicContact CG2-CZ2 3.71Å
33D79.5Confident90Very high77 Ų7758.1 Ų58.141%0.41234%0.336SS..THydrogen-bonded Turntrans-82.49.5178.5-59.8-39.2000112.2T18 Y20T18-D33 PolarHBondContact OG1-OD2 2.95Å; Y20-D33 PolarHBondContact OH-OD1 3.33Å
34T79.2Confident90.2Very high84 Ų8456.9 Ų56.952%0.51534%0.338SS..THydrogen-bonded Turntrans-77.2-20.8-179.455.10000113.2E15 T32E15-T34 HydrophobicContact CB-CG2 4.4Å; E15-T34 HydrophobicContact CG-CG2 3.81Å; E15-T34 PolarHBondContact OE2-OG1 3.24Å; T32-T34 PolarHBondContact O-N 2.01Å; T32-T34 PolarHBondContact OG1-OG1 2.77Å
35T77.9Confident90.5Very high84 Ų8451.4 Ų51.452%0.51532%0.322SS..SBendtrans-85.3115.4176.3-60.60000110.1G37 M38T35-G37 PolarHBondContact O-N 2.79Å; T35-M38 HydrophobicContact CG2-CB 4.19Å; T35-M38 WeakPolarHBondContact O-CB 3.43Å; T35-M38 PolarHBondContact O-N 3.18Å
36V81.3Confident90.8Very high147 Ų14751.9 Ų51.989%0.89133%0.33SS*.THydrogen-bonded Turntrans-53.7128.3177.7177.90000110.1M38V36-M38 PolarHBondContact O-N 2.85Å
37G86.3Confident91.1Very high55 Ų5551.3 Ų51.357%0.56733%0.326SS*.THydrogen-bonded Turntrans78.4-3.2178.700000115.2T35 Q39 G40 G41T35-G37 PolarHBondContact O-N 2.79Å; G37-Q39 PolarHBondContact O-N 3.24Å; G37-G40 PolarHBondContact O-N 3.44Å; G37-G41 PolarHBondContact O-N 3.23Å
38M89.8Confident91.2Very high42 Ų4252.8 Ų52.821%0.20734%0.342CS..Hα-helixtrans-57-50.8-179.2-176.559.9-178.400112.1E31 T35 V36 G41 L42E31-M38 HydrophobicContact CB-CE 3.85Å; E31-M38 HydrophobicContact CB-CG 4.44Å; E31-M38 HydrophobicContact CG-CE 3.39Å; E31-M38 WeakPolarHBondContact OE1-CE 3.47Å; E31-M38 WeakPolarHBondContact OE2-CE 3.47Å; T35-M38 HydrophobicContact CG2-CB 4.19Å; T35-M38 WeakPolarHBondContact O-CB 3.43Å; T35-M38 PolarHBondContact O-N 3.18Å; V36-M38 PolarHBondContact O-N 2.85Å; M38-G41 PolarHBondContact O-N 3.28Å; M38-L42 HydrophobicContact CE-CD1 4.02Å; M38-L42 HydrophobicContact CE-CD2 4.29Å; M38-L42 HydrophobicContact CE-CG 4.16Å; M38-L42 HydrophobicContact CG-CD1 4.45Å; M38-L42 WeakPolarHBondContact O-CG 3.39Å; M38-L42 PolarHBondContact O-N 3.32Å
39Q91Very high91.2Very high84 Ų8455.4 Ų55.439%0.39336%0.36SS..Hα-helixtrans-63-47.6178.8178.817680.500111.9Y20 G37 G41 L42 F43Y20-Q39 HydrophobicContact CE1-CG 4.14Å; Y20-Q39 PolarHBondContact OH-NE2 3.49Å; Y20-Q39 VanDerWaalsContact OH-NE2 3.09Å; G37-Q39 PolarHBondContact O-N 3.24Å; Q39-G41 VanDerWaalsContact C-N 3.29Å; Q39-G41 PolarHBondContact O-N 3.03Å; Q39-L42 PolarHBondContact O-N 3.29Å; Q39-F43 HydrophobicContact CG-CD2 3.86Å; Q39-F43 HydrophobicContact CG-CE1 4.06Å; Q39-F43 HydrophobicContact CG-CE2 3.29Å; Q39-F43 HydrophobicContact CG-CG 4.46Å; Q39-F43 HydrophobicContact CG-CZ 3.41Å; Q39-F43 VanDerWaalsContact CG-CZ 3.41Å; Q39-F43 VanDerWaalsContact O-CG 3.3Å; Q39-F43 WeakPolarHBondContact O-CG 3.3Å; Q39-F43 PolarHBondContact O-N 3.03Å
40G91.4Very high91.1Very high46 Ų4656.9 Ų56.947%0.47437%0.371SS..Hα-helixtrans-59.5-40.4177.400000112.3G37 F43 A44G37-G40 PolarHBondContact O-N 3.44Å; G40-F43 PolarHBondContact O-N 2.78Å; G40-A44 WeakPolarHBondContact O-CB 3.36Å; G40-A44 PolarHBondContact O-N 3.28Å
41G93.6Very high91Very high29 Ų2958.2 Ų58.230%0.29938%0.384SS..Hα-helixtrans-64.7-41175.700000112.9G37 M38 Q39 Q45G37-G41 PolarHBondContact O-N 3.23Å; M38-G41 PolarHBondContact O-N 3.28Å; Q39-G41 VanDerWaalsContact C-N 3.29Å; Q39-G41 PolarHBondContact O-N 3.03Å; G41-Q45 VanDerWaalsContact O-CG 3.27Å; G41-Q45 WeakPolarHBondContact O-CG 3.35Å; G41-Q45 PolarHBondContact O-N 3.13Å; G41-Q45 VanDerWaalsContact O-N 3.16Å; G41-Q45 PolarHBondContact O-NE2 2.88Å
42L94.5Very high91Very high2 Ų258.7 Ų58.71%0.0139%0.388CS..Hα-helixtrans-65.4-42.6174.4-73.6175.2000111.8Y20 R29 E31 M38 Q39 Q45 G46 F47Y20-L42 HydrophobicContact CD1-CD1 3.92Å; Y20-L42 HydrophobicContact CD2-CD1 3.5Å; Y20-L42 HydrophobicContact CE1-CD1 4.16Å; Y20-L42 HydrophobicContact CE2-CD1 3.76Å; Y20-L42 HydrophobicContact CG-CD1 3.59Å; R29-L42 HydrophobicContact CG-CD2 4.35Å; E31-L42 HydrophobicContact CG-CD1 4.15Å; M38-L42 HydrophobicContact CE-CD1 4.02Å; M38-L42 HydrophobicContact CE-CD2 4.29Å; M38-L42 HydrophobicContact CE-CG 4.16Å; M38-L42 HydrophobicContact CG-CD1 4.45Å; M38-L42 WeakPolarHBondContact O-CG 3.39Å; M38-L42 PolarHBondContact O-N 3.32Å; Q39-L42 PolarHBondContact O-N 3.29Å; L42-Q45 CarbonylContact O-C 3.52Å; L42-Q45 WeakPolarHBondContact O-CA 3.4Å; L42-Q45 WeakPolarHBondContact O-CB 3.44Å; L42-Q45 PolarHBondContact O-N 3.31Å; L42-Q45 VanDerWaalsContact O-N 3.12Å; L42-G46 PolarHBondContact O-N 3.39Å; L42-F47 HydrophobicContact CB-CB 4.06Å; L42-F47 HydrophobicContact CB-CD2 4.48Å; L42-F47 HydrophobicContact CB-CG 4.41Å; L42-F47 HydrophobicContact CD2-CD1 4.49Å; L42-F47 HydrophobicContact CD2-CD2 3.94Å; L42-F47 HydrophobicContact CD2-CE2 4.2Å; L42-F47 HydrophobicContact CD2-CG 4.1Å; L42-F47 WeakPolarHBondContact O-CB 3.34Å; L42-F47 WeakPolarHBondContact O-CD2 3.43Å; L42-F47 PolarHBondContact O-N 3.2Å
43F94.8Very high91.1Very high91 Ų9158.3 Ų58.340%0.39939%0.386SS..Hα-helixtrans-63.9-42.4177.1-66.4-17.1000112Y20 Q39 G40 Q45 G46 F47Y20-F43 HydrophobicContact CD1-CE1 4.03Å; Y20-F43 AromaticContact CE1-CE1 3.76Å; Y20-F43 HydrophobicContact CE1-CE1 3.76Å; Y20-F43 HydrophobicContact CE1-CZ 4.2Å; Q39-F43 HydrophobicContact CG-CD2 3.86Å; Q39-F43 HydrophobicContact CG-CE1 4.06Å; Q39-F43 HydrophobicContact CG-CE2 3.29Å; Q39-F43 HydrophobicContact CG-CG 4.46Å; Q39-F43 HydrophobicContact CG-CZ 3.41Å; Q39-F43 VanDerWaalsContact CG-CZ 3.41Å; Q39-F43 VanDerWaalsContact O-CG 3.3Å; Q39-F43 WeakPolarHBondContact O-CG 3.3Å; Q39-F43 PolarHBondContact O-N 3.03Å; G40-F43 PolarHBondContact O-N 2.78Å; F43-Q45 PolarHBondContact O-N 2.94Å; F43-G46 PolarHBondContact O-N 3.4Å; F43-F47 VanDerWaalsContact CD1-O 3.27Å; F43-F47 WeakPolarHBondContact CD1-O 3.22Å
44A94.8Very high91.9Very high93 Ų9354.7 Ų54.777%0.76937%0.367SS*.Hα-helixtrans-61.5-27.7173.800000112.9G40 G46G40-A44 WeakPolarHBondContact O-CB 3.36Å; G40-A44 PolarHBondContact O-N 3.28Å; A44-G46 VanDerWaalsContact C-N 3.29Å
45Q93.1Very high92.7Very high115 Ų11553.1 Ų53.154%0.53735%0.351SS..THydrogen-bonded Turntrans-83.50.3173.9-70.8168.269.800113.6G41 L42 F43 F47G41-Q45 VanDerWaalsContact O-CG 3.27Å; G41-Q45 WeakPolarHBondContact O-CG 3.35Å; G41-Q45 PolarHBondContact O-N 3.13Å; G41-Q45 VanDerWaalsContact O-N 3.16Å; G41-Q45 PolarHBondContact O-NE2 2.88Å; L42-Q45 CarbonylContact O-C 3.52Å; L42-Q45 WeakPolarHBondContact O-CA 3.4Å; L42-Q45 WeakPolarHBondContact O-CB 3.44Å; L42-Q45 PolarHBondContact O-N 3.31Å; L42-Q45 VanDerWaalsContact O-N 3.12Å; F43-Q45 PolarHBondContact O-N 2.94Å; Q45-F47 HydrophobicContact CB-CD2 3.88Å; Q45-F47 HydrophobicContact CB-CE2 4.08Å
46G95.6Very high93.5Very high47 Ų4749.2 Ų49.249%0.48533%0.327SS..THydrogen-bonded Turntrans8220.4178.700000114.6L42 F43 A44L42-G46 PolarHBondContact O-N 3.39Å; F43-G46 PolarHBondContact O-N 3.4Å; A44-G46 VanDerWaalsContact C-N 3.29Å
47F96.9Very high94.2Very high12 Ų1242.2 Ų42.25%0.05328%0.284CS..PPolyproline II helixtrans-78.6138.6167.4-72.3-101.5000110.3Y21 D27 R29 L42 F43 Q45Y21-F47 WeakPolarHBondContact O-CA 3.32Å; D27-F47 HydrophobicContact CB-CE1 3.81Å; D27-F47 HydrophobicContact CB-CZ 3.72Å; D27-F47 WeakPolarHBondContact O-CE1 3.21Å; R29-F47 HydrophobicContact CB-CE1 4.34Å; R29-F47 HydrophobicContact CG-CD1 4.09Å; R29-F47 HydrophobicContact CG-CE1 3.46Å; R29-F47 VanDerWaalsContact CG-CE1 3.46Å; R29-F47 HydrophobicContact CG-CZ 3.94Å; L42-F47 HydrophobicContact CB-CB 4.06Å; L42-F47 HydrophobicContact CB-CD2 4.48Å; L42-F47 HydrophobicContact CB-CG 4.41Å; L42-F47 HydrophobicContact CD2-CD1 4.49Å; L42-F47 HydrophobicContact CD2-CD2 3.94Å; L42-F47 HydrophobicContact CD2-CE2 4.2Å; L42-F47 HydrophobicContact CD2-CG 4.1Å; L42-F47 WeakPolarHBondContact O-CB 3.34Å; L42-F47 WeakPolarHBondContact O-CD2 3.43Å; L42-F47 PolarHBondContact O-N 3.2Å; F43-F47 VanDerWaalsContact CD1-O 3.27Å; F43-F47 WeakPolarHBondContact CD1-O 3.22Å; Q45-F47 HydrophobicContact CB-CD2 3.88Å; Q45-F47 HydrophobicContact CB-CE2 4.08Å
48G96.1Very high94.5Very high36 Ų3639.8 Ų39.837%0.37126%0.259SS..EExtended strand (participates in β ladder)trans-95.3145.6164.200000110.8Y20 Y21Y20-G48 CarbonylContact C-O 3.55Å; Y20-G48 VanDerWaalsContact CA-O 3.23Å; Y20-G48 WeakPolarHBondContact CA-O 2.99Å; Y21-G48 PolarHBondContact N-O 3.12Å; Y21-G48 PolarHBondContact O-N 2.93Å
49S95.7Very high94.7Very high54 Ų5441 Ų4138%0.37827%0.269SS..EExtended strand (participates in β ladder)trans-77.9133.9168.9-175.50000110.4T18 G51T18-S49 WeakPolarHBondContact CG2-OG 3.34Å; S49-G51 PolarHBondContact OG-N 2.79Å
50L96Very high94.6Very high69 Ų6941.2 Ų41.236%0.36128%0.279SS..EExtended strand (participates in β ladder)trans-107.814.5173.8-57.2-177.2000112R19 Y21 Q141R19-L50 HydrophobicContact CB-CB 4.39Å; R19-L50 HydrophobicContact CG-CB 4.34Å; R19-L50 HydrophobicContact CG-CD1 4.36Å; R19-L50 PolarHBondContact O-N 2.82Å; Y21-L50 HydrophobicContact CG-CD1 4.49Å; L50-Q141 PolarHBondContact O-NE2 2.82Å; L50-Q141 VanDerWaalsContact O-NE2 3.16Å
51G94.3Very high94.5Very high28 Ų2843.4 Ų43.429%0.28928%0.276SS..EExtended strand (participates in β ladder)trans85.2171.9175.900000114.8R19 S49 I53R19-G51 PolarHBondContact N-O 3.42Å; S49-G51 PolarHBondContact OG-N 2.79Å; G51-I53 PolarHBondContact O-N 3.09Å
52V95.2Very high94.1Very high23 Ų2343.8 Ų43.814%0.13927%0.274CS..EExtended strand (participates in β ladder)trans-65.8130.4177.3179.60000109.6K16 V17 R140 E164K16-V52 HydrophobicContact CB-CG1 4.29Å; K16-V52 HydrophobicContact CD-CG1 4.44Å; K16-V52 HydrophobicContact CD-CG2 4.12Å; K16-V52 HydrophobicContact CG-CG1 4.37Å; V17-V52 CarbonylContact O-C 3.52Å; V17-V52 WeakPolarHBondContact O-CA 3.38Å; V52-R140 PolarHBondContact O-NH1 2.75Å; V52-R140 PolarHBondContact O-NH2 3.05Å; V52-E164 HydrophobicContact CG1-CB 4.2Å; V52-E164 HydrophobicContact CG1-CG 3.93Å
53I96.7Very high93.5Very high7 Ų748.4 Ų48.44%0.03631%0.307CS..EExtended strand (participates in β ladder)trans-99.7-21.6178.666.6159000112.3V17 R19 L30 G51 V122 V124 P138 I161V17-I53 HydrophobicContact CB-CG1 4.01Å; V17-I53 HydrophobicContact CG1-CD1 4.02Å; V17-I53 HydrophobicContact CG1-CG1 3.84Å; V17-I53 WeakPolarHBondContact O-CG1 3.16Å; V17-I53 PolarHBondContact O-N 3.32Å; R19-I53 HydrophobicContact CB-CG2 3.5Å; L30-I53 HydrophobicContact CD1-CD1 4.09Å; L30-I53 HydrophobicContact CD2-CD1 3.66Å; L30-I53 HydrophobicContact CG-CD1 4.42Å; G51-I53 PolarHBondContact O-N 3.09Å; I53-V122 WeakPolarHBondContact O-CG1 3.44Å; I53-V124 HydrophobicContact CD1-CG2 4.13Å; I53-P138 HydrophobicContact CB-CB 4.14Å; I53-P138 HydrophobicContact CB-CG 4.16Å; I53-P138 HydrophobicContact CG2-CB 4.3Å; I53-P138 HydrophobicContact CG2-CG 3.76Å; I53-I161 HydrophobicContact CD1-CD1 4.12Å; I53-I161 HydrophobicContact CG1-CD1 4.05Å
54G95.9Very high92.7Very high1 Ų148.1 Ų48.11%0.0133%0.329CS..EExtended strand (participates in β ladder)trans162.8-152.8179.400000110.4V17 W162V17-G54 PolarHBondContact N-O 2.86Å; G54-W162 CarbonylContact C-O 3.5Å; G54-W162 VanDerWaalsContact CA-O 3.26Å; G54-W162 WeakPolarHBondContact CA-O 3.46Å
55R95.2Very high92.1Very high50 Ų5045 Ų4519%0.18930%0.299CS..EExtended strand (participates in β ladder)trans-136.4140.8177.6-60.3174.6-178.7-951.2111.5L14 E15 K16 I161 W162 P163 E164L14-R55 HydrophobicContact CB-CB 4.09Å; L14-R55 PolarHBondContact O-NH1 3.5Å; E15-R55 CarbonylContact O-C 3.55Å; E15-R55 WeakPolarHBondContact O-CA 3.44Å; E15-R55 WeakPolarHBondContact O-CB 3.43Å; K16-R55 VanDerWaalsContact CE-NH2 3.28Å; K16-R55 HydrophobicContact CG-CG 4.39Å; R55-I161 WeakPolarHBondContact O-CB 3.39Å; R55-W162 HydrophobicContact CB-CB 4.47Å; R55-W162 PolarHBondContact N-O 3.23Å; R55-W162 PolarHBondContact O-N 2.8Å; R55-P163 WeakPolarHBondContact CD-O 3.43Å; R55-E164 PolarHBondContact NE-O 3.33Å; R55-E164 PolarHBondContact NH2-O 3.47Å
56W95.6Very high91.8Very high2 Ų242.8 Ų42.81%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-117.1167.3168.560.336.5000110.9L14 E15 V17 L30 T32 V73 V108 Y110 I161L14-W56 WeakPolarHBondContact CA-O 3.32Å; E15-W56 PolarHBondContact N-O 2.82Å; E15-W56 PolarHBondContact O-N 2.87Å; E15-W56 VanDerWaalsContact O-N 3.13Å; V17-W56 HydrophobicContact CB-CE3 4.48Å; V17-W56 HydrophobicContact CG1-CE3 4.12Å; V17-W56 HydrophobicContact CG1-CH2 3.89Å; V17-W56 HydrophobicContact CG1-CZ2 4.32Å; V17-W56 HydrophobicContact CG1-CZ3 3.79Å; V17-W56 HydrophobicContact CG2-CB 4.16Å; V17-W56 HydrophobicContact CG2-CD2 3.25Å; V17-W56 HydrophobicContact CG2-CE3 3.53Å; V17-W56 HydrophobicContact CG2-CG 3.54Å; V17-W56 HydrophobicContact CG2-CH2 4.28Å; V17-W56 HydrophobicContact CG2-CZ2 4.08Å; V17-W56 HydrophobicContact CG2-CZ3 4.03Å; L30-W56 HydrophobicContact CB-CH2 4.11Å; L30-W56 HydrophobicContact CB-CZ3 4.21Å; T32-W56 HydrophobicContact CG2-CZ2 3.71Å; W56-V73 HydrophobicContact CE3-CG2 4.29Å; W56-V73 HydrophobicContact CZ3-CG1 4.15Å; W56-V108 HydrophobicContact CH2-CB 4.18Å; W56-V108 HydrophobicContact CH2-CG2 3.48Å; W56-V108 VanDerWaalsContact CH2-CG2 3.48Å; W56-V108 HydrophobicContact CZ2-CB 3.94Å; W56-V108 HydrophobicContact CZ2-CG2 3.7Å; W56-V108 HydrophobicContact CZ3-CG2 4.11Å; W56-V108 PolarHBondContact NE1-O 2.86Å; W56-Y110 WeakPolarHBondContact CB-O 3.46Å; W56-I161 HydrophobicContact CB-CG2 4.33Å
57V94.9Very high91.5Very high0 Ų040.9 Ų40.90%028%0.28CS..EExtended strand (participates in β ladder)trans-74131176.7171.60000109.6F9 S13 L14 K61 L70 G109 Y110 W162F9-V57 HydrophobicContact CD1-CG2 3.68Å; F9-V57 HydrophobicContact CE1-CG2 3.7Å; F9-V57 HydrophobicContact CG-CG2 4.28Å; F9-V57 HydrophobicContact CZ-CG2 4.28Å; S13-V57 CarbonylContact O-C 3.57Å; S13-V57 WeakPolarHBondContact O-CA 3.31Å; L14-V57 HydrophobicContact CD2-CB 4.48Å; L14-V57 HydrophobicContact CD2-CG2 3.64Å; V57-K61 VanDerWaalsContact CG1-O 3.31Å; V57-K61 WeakPolarHBondContact CG1-O 3.43Å; V57-L70 HydrophobicContact CB-CD2 4.46Å; V57-L70 HydrophobicContact CG1-CD1 4.34Å; V57-L70 HydrophobicContact CG2-CD1 4.41Å; V57-L70 HydrophobicContact CG2-CD2 4.05Å; V57-G109 CarbonylContact O-C 3.55Å; V57-G109 VanDerWaalsContact O-CA 3.3Å; V57-G109 WeakPolarHBondContact O-CA 3.35Å; V57-Y110 PolarHBondContact N-O 3.02Å; V57-Y110 PolarHBondContact O-N 2.81Å; V57-W162 HydrophobicContact CG2-CE3 4.44Å; V57-W162 HydrophobicContact CG2-CH2 4.12Å; V57-W162 HydrophobicContact CG2-CZ3 3.83Å
58S94.2Very high91.2Very high4 Ų446.3 Ų46.33%0.02831%0.314CS..  trans-56.4144.9177.2-177.20000111.2S13 E15 S60 K61 S62S13-S58 PolarHBondContact O-N 3.42Å; E15-S58 WeakPolarHBondContact OE1-CB 3.4Å; E15-S58 PolarHBondContact OE1-OG 2.83Å; S58-S60 PolarHBondContact O-N 2.95Å; S58-S60 PolarHBondContact OG-N 2.84Å; S58-S60 PolarHBondContact OG-OG 3.39Å; S58-K61 CarbonylContact O-C 3.55Å; S58-K61 PolarHBondContact O-N 3.35Å; S58-S62 PolarHBondContact O-N 3.02Å
59T93.1Very high91.2Very high68 Ų6849.1 Ų49.142%0.41732%0.318SS..G310 helixtrans-60.2-29.2174.955.10000112.8K61 I107 Y110T59-K61 VanDerWaalsContact C-N 3.3Å; T59-K61 PolarHBondContact O-N 2.96Å; T59-I107 HydrophobicContact CG2-CG2 4.12Å; T59-Y110 HydrophobicContact CG2-CE2 4.48Å
60S90.2Very high91.1Very high88 Ų8848 Ų4862%0.61531%0.307SS*.G310 helixtrans-79.2-8.8178.267.60000114.3S58S58-S60 PolarHBondContact O-N 2.95Å; S58-S60 PolarHBondContact OG-N 2.84Å; S58-S60 PolarHBondContact OG-OG 3.39Å
61K89.1Confident91.2Very high93 Ų9348.8 Ų48.840%0.40431%0.308SS..G310 helixtrans-131.528.9-172.9-58.3-70.2-175.5166.10112.2V57 S58 T59 S63 N65V57-K61 VanDerWaalsContact CG1-O 3.31Å; V57-K61 WeakPolarHBondContact CG1-O 3.43Å; S58-K61 CarbonylContact O-C 3.55Å; S58-K61 PolarHBondContact O-N 3.35Å; T59-K61 VanDerWaalsContact C-N 3.3Å; T59-K61 PolarHBondContact O-N 2.96Å; K61-S63 VanDerWaalsContact C-N 3.28Å; K61-S63 PolarHBondContact O-N 2.87Å; K61-N65 PolarHBondContact O-ND2 2.94Å
62S84.2Confident91.4Very high37 Ų3748.7 Ų48.726%0.25930%0.302SS..  trans-79.7-6.8-179.463.10000114.6S58 N65 Y110S58-S62 PolarHBondContact O-N 3.02Å; S62-N65 PolarHBondContact O-OD1 2.91Å; S62-Y110 VanDerWaalsContact CB-CD2 3.46Å
63S82.8Confident91.5Very high99 Ų9947.6 Ų47.669%0.69230%0.296SS*.SBendtrans-110.9156.417562.70000111.4K61 N65K61-S63 VanDerWaalsContact C-N 3.28Å; K61-S63 PolarHBondContact O-N 2.87Å; S63-N65 VanDerWaalsContact C-N 3.29Å; S63-N65 PolarHBondContact N-OD1 2.79Å; S63-N65 PolarHBondContact O-N 3.21Å
64G76.7Confident91.6Very high84 Ų8448.5 Ų48.587%0.86630%0.299SS*.SBendtrans79.74.4178.800000115.1
65N82.5Confident91.7Very high27 Ų2749.4 Ų49.414%0.14430%0.303CS..  trans-83.9152.6174.5-16.368.6000110.7F9 K61 S62 S63 C67 L70F9-N65 HydrophobicContact CD1-CB 3.7Å; F9-N65 HydrophobicContact CE1-CB 3.8Å; K61-N65 PolarHBondContact O-ND2 2.94Å; S62-N65 PolarHBondContact O-OD1 2.91Å; S63-N65 VanDerWaalsContact C-N 3.29Å; S63-N65 PolarHBondContact N-OD1 2.79Å; S63-N65 PolarHBondContact O-N 3.21Å; N65-C67 PolarHBondContact O-N 3.05Å; N65-L70 HydrophobicContact CB-CD1 4.28Å
66A86.1Confident91.7Very high69 Ų6947 Ų4757%0.5729%0.294SS*.SBendtrans-75.7-10.4175.300000113.2I8 T68I8-A66 PolarHBondContact O-N 2.9Å; A66-T68 PolarHBondContact O-N 3.47Å
67C90.8Very high91.7Very high8 Ų850.6 Ų50.65%0.05431%0.307CS..  trans-84.599-179.4-178.10000112.2I8 F9 N65 Q69 L70 C118I8-C67 HydrophobicContact CG2-CB 3.82Å; F9-C67 HydrophobicContact CE1-CB 3.55Å; F9-C67 HydrophobicContact CE2-CB 4.47Å; F9-C67 HydrophobicContact CZ-CB 3.38Å; N65-C67 PolarHBondContact O-N 3.05Å; C67-Q69 PolarHBondContact O-N 3.38Å; C67-L70 HydrophobicContact CB-CG 4.05Å; C67-C118 VanDerWaalsContact CA-SG 3.54Å; C67-C118 HydrophobicContact CB-CB 3.65Å; C67-C118 WeakPolarHBondContact CB-SG 3.4Å; C67-C118 WeakPolarHBondContact SG-CB 3.43Å; C67-C118 CovalentContact SG-SG 2.01Å; C67-C118 PolarHBondContact SG-SG 3.16Å
68T90.7Very high91.6Very high126 Ų12650.6 Ų50.677%0.77331%0.308SS*.THydrogen-bonded Turntrans-74.7-3.117560.30000114A66A66-T68 PolarHBondContact O-N 3.47Å
69Q94.5Very high91.5Very high95 Ų9553.9 Ų53.944%0.44433%0.33SS..THydrogen-bonded Turntrans-100.96.8-177.7-59.2-63.6-61.900112.8C67 K71 V117C67-Q69 PolarHBondContact O-N 3.38Å; Q69-K71 PolarHBondContact O-N 3.31Å; Q69-V117 HydrophobicContact CB-CG1 3.49Å; Q69-V117 VanDerWaalsContact CB-CG1 3.49Å; Q69-V117 HydrophobicContact CG-CG1 3.89Å
70L95.5Very high91.4Very high30 Ų3059 Ų5916%0.15734%0.342CS..  trans-59.7132.4174.2-75.6-178.9000110.4F9 V57 N65 C67 Y110 A111 V112 W162F9-L70 HydrophobicContact CE1-CD1 4.07Å; F9-L70 HydrophobicContact CE1-CD2 4.01Å; F9-L70 HydrophobicContact CE1-CG 4.25Å; F9-L70 HydrophobicContact CZ-CD2 4.12Å; V57-L70 HydrophobicContact CB-CD2 4.46Å; V57-L70 HydrophobicContact CG1-CD1 4.34Å; V57-L70 HydrophobicContact CG2-CD1 4.41Å; V57-L70 HydrophobicContact CG2-CD2 4.05Å; N65-L70 HydrophobicContact CB-CD1 4.28Å; C67-L70 HydrophobicContact CB-CG 4.05Å; L70-Y110 HydrophobicContact CB-CD1 4.38Å; L70-A111 WeakPolarHBondContact CA-O 3.37Å; L70-V112 HydrophobicContact CD2-CG1 4.39Å; L70-W162 HydrophobicContact CD2-CH2 3.61Å; L70-W162 HydrophobicContact CD2-CZ2 4.41Å; L70-W162 HydrophobicContact CD2-CZ3 4.43Å
71K97.6Very high91.3Very high86 Ų8656.6 Ų56.637%0.37432%0.321SS..EExtended strand (participates in β ladder)trans-124.6140.1173.7-64.7-173.6178.7-177.10109.5Q69 I88 Y110 A111Q69-K71 PolarHBondContact O-N 3.31Å; K71-I88 HydrophobicContact CB-CB 3.96Å; K71-I88 HydrophobicContact CB-CD1 4.33Å; K71-I88 HydrophobicContact CD-CD1 3.93Å; K71-I88 HydrophobicContact CD-CG1 4.46Å; K71-Y110 VanDerWaalsContact O-CA 3.3Å; K71-Y110 WeakPolarHBondContact O-CA 3.22Å; K71-A111 PolarHBondContact N-O 2.74Å; K71-A111 PolarHBondContact O-N 2.78Å
72P97.8Very high91.4Very high26 Ų2654.8 Ų54.817%0.16932%0.318CS..EExtended strand (participates in β ladder)trans-62.4139.8175.427.4-34.8000110.4Y74 I88 I107 Y110P72-Y74 HydrophobicContact CB-CE1 4.22Å; P72-Y74 HydrophobicContact CB-CE2 4.36Å; P72-Y74 HydrophobicContact CG-CE1 4.04Å; P72-Y74 HydrophobicContact CG-CE2 3.69Å; P72-Y74 VanDerWaalsContact CG-OH 3.22Å; P72-Y74 WeakPolarHBondContact CG-OH 3.34Å; P72-I88 WeakPolarHBondContact O-CA 3.18Å; P72-I107 HydrophobicContact CB-CB 4.45Å; P72-I107 HydrophobicContact CB-CD1 3.72Å; P72-I107 HydrophobicContact CB-CG1 3.87Å; P72-I107 HydrophobicContact CB-CG2 3.72Å; P72-Y110 HydrophobicContact CB-CD1 4.32Å; P72-Y110 HydrophobicContact CB-CE1 4.02Å
73V98.5Very high91.8Very high0 Ų053.1 Ų53.10%031%0.306CS..EExtended strand (participates in β ladder)trans-92103.2168.4-175.80000107.3W56 Y86 I88 I107 V108 G109 A111 F159W56-V73 HydrophobicContact CE3-CG2 4.29Å; W56-V73 HydrophobicContact CZ3-CG1 4.15Å; V73-Y86 HydrophobicContact CG1-CD1 4.12Å; V73-I88 HydrophobicContact CG2-CG2 3.92Å; V73-I107 WeakPolarHBondContact O-CA 3.33Å; V73-V108 HydrophobicContact CB-CG2 4.02Å; V73-V108 HydrophobicContact CG1-CG2 3.81Å; V73-V108 WeakPolarHBondContact O-CG2 3.29Å; V73-V108 PolarHBondContact O-N 2.95Å; V73-G109 PolarHBondContact N-O 3.27Å; V73-A111 HydrophobicContact CG2-CB 3.56Å; V73-F159 HydrophobicContact CG1-CE1 4.2Å; V73-F159 HydrophobicContact CG1-CZ 4.2Å
74Y98Very high92.4Very high25 Ų2548.4 Ų48.410%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-78.7134.9174.6-56.1-75.1000110.1P72 Y86 M87 Q90 M93 I107P72-Y74 HydrophobicContact CB-CE1 4.22Å; P72-Y74 HydrophobicContact CB-CE2 4.36Å; P72-Y74 HydrophobicContact CG-CE1 4.04Å; P72-Y74 HydrophobicContact CG-CE2 3.69Å; P72-Y74 VanDerWaalsContact CG-OH 3.22Å; P72-Y74 WeakPolarHBondContact CG-OH 3.34Å; Y74-Y86 CarbonylContact O-C 3.56Å; Y74-Y86 VanDerWaalsContact O-CA 3.24Å; Y74-Y86 WeakPolarHBondContact O-CA 3.42Å; Y74-M87 HydrophobicContact CD2-CG 4.42Å; Y74-M87 VanDerWaalsContact CD2-O 3.31Å; Y74-M87 WeakPolarHBondContact CD2-O 3.48Å; Y74-M87 PolarHBondContact N-O 2.81Å; Y74-M87 PolarHBondContact O-N 3.13Å; Y74-Q90 HydrophobicContact CE2-CB 4.2Å; Y74-M93 HydrophobicContact CD1-CE 3.97Å; Y74-M93 HydrophobicContact CD2-CB 4.17Å; Y74-M93 HydrophobicContact CD2-CE 4.36Å; Y74-M93 HydrophobicContact CD2-CG 4.13Å; Y74-M93 HydrophobicContact CE1-CE 3.8Å; Y74-M93 HydrophobicContact CE2-CE 4.21Å; Y74-M93 HydrophobicContact CG-CE 4.23Å; Y74-M93 HydrophobicContact CG-CG 3.98Å; Y74-I107 HydrophobicContact CD1-CG1 3.9Å; Y74-I107 HydrophobicContact CE1-CD1 4.23Å; Y74-I107 HydrophobicContact CE1-CG1 3.88Å
75K97.4Very high93.3Very high21 Ų2145 Ų459%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-103120.6172.3178178.6172.7177.90109.2E31 T84 Y86 M105 G106 V108E31-K75 WeakPolarHBondContact OE1-CE 3.34Å; E31-K75 IonicContact OE1-NZ 3.39Å; E31-K75 PolarHBondContact OE1-NZ 2.93Å; E31-K75 IonicContact OE2-NZ 3.21Å; E31-K75 PolarHBondContact OE2-NZ 2.82Å; K75-T84 HydrophobicContact CD-CG2 4.2Å; K75-T84 HydrophobicContact CG-CG2 3.58Å; K75-Y86 HydrophobicContact CB-CD1 4.19Å; K75-Y86 HydrophobicContact CB-CE1 4.05Å; K75-Y86 HydrophobicContact CD-CE1 3.98Å; K75-Y86 HydrophobicContact CG-CD1 4.39Å; K75-Y86 HydrophobicContact CG-CE1 3.87Å; K75-M105 HydrophobicContact CB-CB 4.21Å; K75-M105 HydrophobicContact CD-CB 4.19Å; K75-M105 HydrophobicContact CG-CB 4.01Å; K75-M105 HydrophobicContact CG-CG 4.34Å; K75-M105 WeakPolarHBondContact O-CA 3.28Å; K75-M105 WeakPolarHBondContact O-CB 3.38Å; K75-M105 PolarHBondContact O-N 2.93Å; K75-G106 PolarHBondContact N-O 2.83Å; K75-V108 HydrophobicContact CB-CG1 3.71Å; K75-V108 HydrophobicContact CD-CG1 3.83Å; K75-V108 HydrophobicContact CG-CG1 4.42Å
76L96.5Very high94.1Very high0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-116.5140.5173.8-73.567.7000109.2T84 Y85 M87 M93 R96 Y102 T103L76-T84 CarbonylContact O-C 3.54Å; L76-T84 VanDerWaalsContact O-CA 3.32Å; L76-T84 WeakPolarHBondContact O-CA 3.33Å; L76-T84 WeakPolarHBondContact O-CG2 3.42Å; L76-Y85 PolarHBondContact N-O 3.46Å; L76-Y85 PolarHBondContact O-N 2.63Å; L76-M87 HydrophobicContact CB-CE 4.36Å; L76-M87 HydrophobicContact CD1-CE 3.78Å; L76-M87 HydrophobicContact CD1-CG 4.3Å; L76-M87 HydrophobicContact CD1-SD 4.23Å; L76-M87 HydrophobicContact CD2-CE 3.72Å; L76-M87 HydrophobicContact CD2-SD 4.38Å; L76-M87 HydrophobicContact CG-CE 4.14Å; L76-M93 HydrophobicContact CD1-CG 3.77Å; L76-M93 HydrophobicContact CD2-CG 4.2Å; L76-R96 HydrophobicContact CD2-CB 3.93Å; L76-Y102 HydrophobicContact CB-CD1 4.16Å; L76-Y102 HydrophobicContact CD2-CD1 4.33Å; L76-T103 CarbonylContact C-O 3.54Å; L76-T103 VanDerWaalsContact CA-O 3.26Å; L76-T103 WeakPolarHBondContact CA-O 3.4Å
77Y95.2Very high94.6Very high76 Ų7640.6 Ų40.630%0.29820%0.201SC..EExtended strand (participates in β ladder)trans-106.1128.6170.2179.4-106.8000110Y102 T103Y77-Y102 CarbonylContact O-C 3.54Å; Y77-Y102 VanDerWaalsContact O-CA 3.32Å; Y77-Y102 WeakPolarHBondContact O-CA 3.31Å; Y77-T103 PolarHBondContact N-O 3.2Å; Y77-T103 PolarHBondContact O-N 3.04Å
78S93.4Very high94.9Very high1 Ų141 Ų411%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-96.8112.9171.9-169.90000110.2R80 Q81 T82 S83 G101S78-R80 PolarHBondContact O-N 2.77Å; S78-Q81 PolarHBondContact OG-N 3Å; S78-T82 WeakPolarHBondContact O-CA 3.27Å; S78-T82 PolarHBondContact O-N 3.16Å; S78-S83 PolarHBondContact N-O 3.37Å; S78-S83 PolarHBondContact O-N 2.86Å; S78-G101 CarbonylContact C-O 3.5Å; S78-G101 WeakPolarHBondContact CA-O 3.32Å
79S91.7Very high95.2Very high72 Ų7239 Ų3950%0.50319%0.187SC..THydrogen-bonded Turntrans-68.6-24.7171.562.70000112.7G101S79-G101 PolarHBondContact N-O 3.12Å; S79-G101 WeakPolarHBondContact OG-CA 3.31Å; S79-G101 PolarHBondContact OG-O 2.99Å
80R89.4Confident95.2Very high177 Ų17739.5 Ų39.567%0.66819%0.189SC*.THydrogen-bonded Turntrans-75.8-38.1177.3-73.7-176.5171.1179.2-4.9113.1S78 P100S78-R80 PolarHBondContact O-N 2.77Å; R80-P100 VanDerWaalsContact CD-O 3.27Å; R80-P100 WeakPolarHBondContact CD-O 3.3Å; R80-P100 VanDerWaalsContact CZ-O 3.31Å; R80-P100 PolarHBondContact NE-O 2.74Å; R80-P100 VanDerWaalsContact NE-O 3.15Å; R80-P100 PolarHBondContact NH1-O 3.42Å
81Q89.7Confident95.2Very high37 Ų3742.7 Ų42.717%0.17321%0.207CC..THydrogen-bonded Turntrans-99.8-2.8-179.5-58.8172.130.900112.5S78 S83 Y102S78-Q81 PolarHBondContact OG-N 3Å; Q81-S83 WeakPolarHBondContact CB-OG 3.23Å; Q81-S83 PolarHBondContact O-N 3.24Å; Q81-S83 VanDerWaalsContact O-N 3.08Å; Q81-S83 PolarHBondContact O-OG 2.94Å; Q81-Y102 PolarHBondContact NE2-OH 3.38Å
82T90.7Very high95Very high54 Ų5441.4 Ų41.433%0.33120%0.203SC..THydrogen-bonded Turntrans47.334.9-173.759.90000113.2A25 T26 D27 S78A25-T82 PolarHBondContact O-OG1 2.87Å; T26-T82 PolarHBondContact OG1-OG1 2.78Å; D27-T82 WeakPolarHBondContact CB-O 3.18Å; S78-T82 WeakPolarHBondContact O-CA 3.27Å; S78-T82 PolarHBondContact O-N 3.16Å
83S92.6Very high94.9Very high2 Ų240.8 Ų40.81%0.01420%0.198CC..EExtended strand (participates in β ladder)trans-138.2152.2-174.853.40000112.5D27 S78 Q81 Y132D27-S83 WeakPolarHBondContact OD1-CA 3.35Å; S78-S83 PolarHBondContact N-O 3.37Å; S78-S83 PolarHBondContact O-N 2.86Å; Q81-S83 WeakPolarHBondContact CB-OG 3.23Å; Q81-S83 PolarHBondContact O-N 3.24Å; Q81-S83 VanDerWaalsContact O-N 3.08Å; Q81-S83 PolarHBondContact O-OG 2.94Å; S83-Y132 VanDerWaalsContact CB-O 3.3Å; S83-Y132 WeakPolarHBondContact CB-O 3.45Å; S83-Y132 PolarHBondContact OG-O 3.31Å
84T95.9Very high94.7Very high0 Ų045 Ų450%022%0.22CC..EExtended strand (participates in β ladder)trans-94.2135.5178.8-52.60000110.3D27 N28 R29 K75 L76 Y86D27-T84 VanDerWaalsContact OD1-CB 3.27Å; D27-T84 WeakPolarHBondContact OD1-CB 3.43Å; D27-T84 PolarHBondContact OD1-N 2.9Å; D27-T84 PolarHBondContact OD1-OG1 2.87Å; D27-T84 PolarHBondContact OD2-OG1 2.84Å; N28-T84 WeakPolarHBondContact O-CB 3.27Å; R29-T84 VanDerWaalsContact CD-OG1 3.29Å; R29-T84 WeakPolarHBondContact CD-OG1 3.09Å; R29-T84 PolarHBondContact NE-OG1 3.21Å; K75-T84 HydrophobicContact CD-CG2 4.2Å; K75-T84 HydrophobicContact CG-CG2 3.58Å; L76-T84 CarbonylContact O-C 3.54Å; L76-T84 VanDerWaalsContact O-CA 3.32Å; L76-T84 WeakPolarHBondContact O-CA 3.33Å; L76-T84 WeakPolarHBondContact O-CG2 3.42Å; T84-Y86 HydrophobicContact CG2-CD2 4.3Å; T84-Y86 HydrophobicContact CG2-CE1 4.4Å; T84-Y86 HydrophobicContact CG2-CE2 3.58Å
85Y95.8Very high94.4Very high13 Ų1352.3 Ų52.35%0.05125%0.247CC..EExtended strand (participates in β ladder)trans-121.4125.2178.2-177.6-160.1000110.2L76 M87 E126 I134L76-Y85 PolarHBondContact N-O 3.46Å; L76-Y85 PolarHBondContact O-N 2.63Å; Y85-M87 HydrophobicContact CD1-CE 3.02Å; Y85-M87 HydrophobicContact CD2-CE 4.32Å; Y85-M87 HydrophobicContact CE1-CE 3.18Å; Y85-M87 HydrophobicContact CE1-SD 4.24Å; Y85-M87 HydrophobicContact CE2-CB 4.34Å; Y85-M87 HydrophobicContact CE2-CE 4.43Å; Y85-M87 HydrophobicContact CG-CE 3.64Å; Y85-E126 VanDerWaalsContact CE2-OE2 3.23Å; Y85-E126 WeakPolarHBondContact CE2-OE2 3.27Å; Y85-E126 PolarHBondContact OH-OE1 3.06Å; Y85-E126 VanDerWaalsContact OH-OE1 3.04Å; Y85-E126 PolarHBondContact OH-OE2 2.65Å; Y85-E126 VanDerWaalsContact OH-OE2 3.1Å; Y85-I134 HydrophobicContact CD1-CD1 3.4Å; Y85-I134 HydrophobicContact CD2-CB 4.04Å; Y85-I134 HydrophobicContact CD2-CD1 3.6Å; Y85-I134 HydrophobicContact CD2-CG1 4.4Å; Y85-I134 HydrophobicContact CD2-CG2 3.61Å; Y85-I134 HydrophobicContact CE1-CD1 3.38Å; Y85-I134 HydrophobicContact CE2-CD1 3.6Å; Y85-I134 HydrophobicContact CE2-CG2 3.9Å; Y85-I134 HydrophobicContact CG-CB 4.27Å; Y85-I134 HydrophobicContact CG-CD1 3.54Å; Y85-I134 HydrophobicContact CG-CG1 4.45Å; Y85-I134 HydrophobicContact CG-CG2 4.34Å; Y85-I134 VanDerWaalsContact CZ-CD1 3.49Å
86Y98.1Very high94.1Very high0 Ų055.6 Ų55.60%026%0.259CS..EExtended strand (participates in β ladder)trans-100.2131.8175.1-57.3-96000110.1R29 L30 E31 V73 Y74 K75 T84 V108 Q136R29-Y86 WeakPolarHBondContact CA-OH 3.35Å; L30-Y86 HydrophobicContact CB-CD1 4.33Å; L30-Y86 HydrophobicContact CB-CD2 4.12Å; L30-Y86 HydrophobicContact CB-CE1 4.01Å; L30-Y86 HydrophobicContact CB-CE2 3.82Å; L30-Y86 HydrophobicContact CB-CG 4.38Å; L30-Y86 HydrophobicContact CD1-CD2 3.99Å; L30-Y86 HydrophobicContact CD1-CE2 4.45Å; L30-Y86 HydrophobicContact CD1-CG 4.21Å; L30-Y86 HydrophobicContact CG-CD2 3.88Å; L30-Y86 HydrophobicContact CG-CE2 3.84Å; L30-Y86 HydrophobicContact CG-CG 4.42Å; L30-Y86 VanDerWaalsContact N-CE2 3.35Å; L30-Y86 PolarHBondContact N-OH 3.22Å; L30-Y86 WeakPolarHBondContact O-CE1 3.32Å; L30-Y86 VanDerWaalsContact O-CZ 3.22Å; L30-Y86 PolarHBondContact O-OH 3.43Å; E31-Y86 PolarHBondContact OE1-OH 2.7Å; V73-Y86 HydrophobicContact CG1-CD1 4.12Å; Y74-Y86 CarbonylContact O-C 3.56Å; Y74-Y86 VanDerWaalsContact O-CA 3.24Å; Y74-Y86 WeakPolarHBondContact O-CA 3.42Å; K75-Y86 HydrophobicContact CB-CD1 4.19Å; K75-Y86 HydrophobicContact CB-CE1 4.05Å; K75-Y86 HydrophobicContact CD-CE1 3.98Å; K75-Y86 HydrophobicContact CG-CD1 4.39Å; K75-Y86 HydrophobicContact CG-CE1 3.87Å; T84-Y86 HydrophobicContact CG2-CD2 4.3Å; T84-Y86 HydrophobicContact CG2-CE1 4.4Å; T84-Y86 HydrophobicContact CG2-CE2 3.58Å; Y86-V108 HydrophobicContact CD1-CG2 3.93Å; Y86-V108 HydrophobicContact CE1-CG2 4.05Å; Y86-Q136 VanDerWaalsContact CB-OE1 3.28Å; Y86-Q136 VanDerWaalsContact CD2-OE1 3.27Å; Y86-Q136 PolarHBondContact O-NE2 3.14Å; Y86-Q136 PolarHBondContact O-OE1 3.47Å
87M96.2Very high93.7Very high4 Ų460 Ų602%0.0228%0.279CS..EExtended strand (participates in β ladder)trans-147.1152.8-179.964.2-170.580.400112.2Y74 L76 Y85 M93 R96Y74-M87 HydrophobicContact CD2-CG 4.42Å; Y74-M87 VanDerWaalsContact CD2-O 3.31Å; Y74-M87 WeakPolarHBondContact CD2-O 3.48Å; Y74-M87 PolarHBondContact N-O 2.81Å; Y74-M87 PolarHBondContact O-N 3.13Å; L76-M87 HydrophobicContact CB-CE 4.36Å; L76-M87 HydrophobicContact CD1-CE 3.78Å; L76-M87 HydrophobicContact CD1-CG 4.3Å; L76-M87 HydrophobicContact CD1-SD 4.23Å; L76-M87 HydrophobicContact CD2-CE 3.72Å; L76-M87 HydrophobicContact CD2-SD 4.38Å; L76-M87 HydrophobicContact CG-CE 4.14Å; Y85-M87 HydrophobicContact CD1-CE 3.02Å; Y85-M87 HydrophobicContact CD2-CE 4.32Å; Y85-M87 HydrophobicContact CE1-CE 3.18Å; Y85-M87 HydrophobicContact CE1-SD 4.24Å; Y85-M87 HydrophobicContact CE2-CB 4.34Å; Y85-M87 HydrophobicContact CE2-CE 4.43Å; Y85-M87 HydrophobicContact CG-CE 3.64Å; M87-M93 HydrophobicContact CG-CB 3.99Å; M87-M93 HydrophobicContact CG-CG 4.4Å; M87-M93 WeakPolarHBondContact SD-CA 3.44Å; M87-M93 HydrophobicContact SD-CB 3.45Å; M87-M93 WeakPolarHBondContact SD-CB 3.48Å; M87-M93 HydrophobicContact SD-CG 4.01Å; M87-R96 HydrophobicContact CE-CG 4.45Å
88I98.1Very high93.5Very high17 Ų1760.9 Ų60.99%0.08730%0.296CS..  trans-110.9-9176.966.9164.1000113.6K71 P72 V73 Q90 A111 F159K71-I88 HydrophobicContact CB-CB 3.96Å; K71-I88 HydrophobicContact CB-CD1 4.33Å; K71-I88 HydrophobicContact CD-CD1 3.93Å; K71-I88 HydrophobicContact CD-CG1 4.46Å; P72-I88 WeakPolarHBondContact O-CA 3.18Å; V73-I88 HydrophobicContact CG2-CG2 3.92Å; I88-Q90 PolarHBondContact O-N 3.23Å; I88-A111 HydrophobicContact CG2-CB 4.39Å; I88-F159 HydrophobicContact CD1-CB 3.88Å; I88-F159 HydrophobicContact CG1-CB 4.24Å; I88-F159 HydrophobicContact CG2-CB 3.84Å; I88-F159 HydrophobicContact CG2-CD1 3.96Å; I88-F159 HydrophobicContact CG2-CG 4.05Å
89N96.2Very high93.1Very high83 Ų8363.8 Ų63.844%0.44431%0.312SS..  trans-86.8108.9178.9-176.2-43.5000109.2D91 L92 M93N89-D91 PolarHBondContact O-N 2.7Å; N89-D91 PolarHBondContact OD1-N 2.93Å; N89-L92 HydrophobicContact CB-CB 3.99Å; N89-L92 PolarHBondContact O-N 2.85Å; N89-L92 PolarHBondContact OD1-N 2.78Å; N89-M93 WeakPolarHBondContact O-CB 3.29Å; N89-M93 PolarHBondContact O-N 3.41Å
90Q95.5Very high92.8Very high105 Ų10564.4 Ų64.449%0.49131%0.314SS..Hα-helixtrans-63.3-40.1-177.4-173.5179.4-33.900112.6Y74 I88 M93 M94Y74-Q90 HydrophobicContact CE2-CB 4.2Å; I88-Q90 PolarHBondContact O-N 3.23Å; Q90-M93 HydrophobicContact CG-CE 4.17Å; Q90-M93 WeakPolarHBondContact O-CB 3.23Å; Q90-M93 PolarHBondContact O-N 3.49Å; Q90-M94 HydrophobicContact CG-CE 4.2Å; Q90-M94 HydrophobicContact CG-SD 4.43Å; Q90-M94 WeakPolarHBondContact O-CG 3.32Å; Q90-M94 PolarHBondContact O-N 3.2Å
91D95.5Very high92.7Very high97 Ų9757 Ų5752%0.51929%0.293SS..Hα-helixtrans-65.8-41.8179.7-64.6-27.7000111.6N89 M93 M94 R95N89-D91 PolarHBondContact O-N 2.7Å; N89-D91 PolarHBondContact OD1-N 2.93Å; D91-M93 VanDerWaalsContact C-N 3.33Å; D91-M94 PolarHBondContact O-N 3.41Å; D91-M94 VanDerWaalsContact OD1-CE 3.31Å; D91-M94 WeakPolarHBondContact OD1-CE 3.26Å; D91-R95 VanDerWaalsContact O-CG 3.29Å; D91-R95 WeakPolarHBondContact O-CG 3.49Å; D91-R95 PolarHBondContact O-N 2.93Å
92L93Very high92.9Very high59 Ų5956.4 Ų56.431%0.30929%0.289SS..Hα-helixtrans-65.3-40.1174.3-177.459.8000111.1N89 R95 R96N89-L92 HydrophobicContact CB-CB 3.99Å; N89-L92 PolarHBondContact O-N 2.85Å; N89-L92 PolarHBondContact OD1-N 2.78Å; L92-R95 PolarHBondContact O-N 2.95Å; L92-R96 HydrophobicContact CD1-CG 4.34Å; L92-R96 HydrophobicContact CG-CG 4.47Å; L92-R96 WeakPolarHBondContact O-CG 3.45Å; L92-R96 PolarHBondContact O-N 3.04Å
93M94.9Very high93.1Very high13 Ų1357.6 Ų57.66%0.06430%0.297CS..Hα-helixtrans-58.5-49.5175-178.9-85.9-68.900111.8Y74 L76 M87 N89 Q90 D91 R95 R96 Q97 N104Y74-M93 HydrophobicContact CD1-CE 3.97Å; Y74-M93 HydrophobicContact CD2-CB 4.17Å; Y74-M93 HydrophobicContact CD2-CE 4.36Å; Y74-M93 HydrophobicContact CD2-CG 4.13Å; Y74-M93 HydrophobicContact CE1-CE 3.8Å; Y74-M93 HydrophobicContact CE2-CE 4.21Å; Y74-M93 HydrophobicContact CG-CE 4.23Å; Y74-M93 HydrophobicContact CG-CG 3.98Å; L76-M93 HydrophobicContact CD1-CG 3.77Å; L76-M93 HydrophobicContact CD2-CG 4.2Å; M87-M93 HydrophobicContact CG-CB 3.99Å; M87-M93 HydrophobicContact CG-CG 4.4Å; M87-M93 WeakPolarHBondContact SD-CA 3.44Å; M87-M93 HydrophobicContact SD-CB 3.45Å; M87-M93 WeakPolarHBondContact SD-CB 3.48Å; M87-M93 HydrophobicContact SD-CG 4.01Å; N89-M93 WeakPolarHBondContact O-CB 3.29Å; N89-M93 PolarHBondContact O-N 3.41Å; Q90-M93 HydrophobicContact CG-CE 4.17Å; Q90-M93 WeakPolarHBondContact O-CB 3.23Å; Q90-M93 PolarHBondContact O-N 3.49Å; D91-M93 VanDerWaalsContact C-N 3.33Å; M93-R95 VanDerWaalsContact C-N 3.32Å; M93-R95 PolarHBondContact O-N 3.44Å; M93-R96 PolarHBondContact O-N 2.89Å; M93-Q97 WeakPolarHBondContact O-CB 3.45Å; M93-Q97 PolarHBondContact O-N 3.45Å; M93-Q97 PolarHBondContact SD-OE1 3.25Å; M93-N104 PolarHBondContact SD-ND2 2.84Å; M93-N104 VanDerWaalsContact SD-ND2 3.38Å
94M94.3Very high93.3Very high90 Ų9059.9 Ų59.944%0.44331%0.309SS..Hα-helixtrans-61.5-41.3178.8-69.7-175.2-61.800111.5Q90 D91 Q97 S98Q90-M94 HydrophobicContact CG-CE 4.2Å; Q90-M94 HydrophobicContact CG-SD 4.43Å; Q90-M94 WeakPolarHBondContact O-CG 3.32Å; Q90-M94 PolarHBondContact O-N 3.2Å; D91-M94 PolarHBondContact O-N 3.41Å; D91-M94 VanDerWaalsContact OD1-CE 3.31Å; D91-M94 WeakPolarHBondContact OD1-CE 3.26Å; M94-Q97 PolarHBondContact O-N 3.12Å; M94-S98 PolarHBondContact O-N 2.87Å; M94-S98 VanDerWaalsContact O-N 3.1Å
95R93Very high93.3Very high178 Ų17865.2 Ų65.267%0.67234%0.335SS*.Hα-helixtrans-61.6-47.2174.3-71.1173.6-171.5-161.82.9111.7D91 L92 M93 Q97 S98 D99D91-R95 VanDerWaalsContact O-CG 3.29Å; D91-R95 WeakPolarHBondContact O-CG 3.49Å; D91-R95 PolarHBondContact O-N 2.93Å; L92-R95 PolarHBondContact O-N 2.95Å; M93-R95 VanDerWaalsContact C-N 3.32Å; M93-R95 PolarHBondContact O-N 3.44Å; R95-Q97 VanDerWaalsContact C-N 3.33Å; R95-Q97 PolarHBondContact O-N 2.93Å; R95-S98 PolarHBondContact O-N 2.91Å; R95-S98 VanDerWaalsContact O-N 3.12Å; R95-S98 PolarHBondContact O-OG 2.83Å; R95-D99 PolarHBondContact O-N 3.04Å
96R89.8Confident93.3Very high89 Ų8966 Ų6634%0.33635%0.347SS..Hα-helixtrans-63.5-38.9177.6-71.3-60.4-174.1-161.20.5112.3L76 M87 L92 M93 S98 D99 Y102L76-R96 HydrophobicContact CD2-CB 3.93Å; M87-R96 HydrophobicContact CE-CG 4.45Å; L92-R96 HydrophobicContact CD1-CG 4.34Å; L92-R96 HydrophobicContact CG-CG 4.47Å; L92-R96 WeakPolarHBondContact O-CG 3.45Å; L92-R96 PolarHBondContact O-N 3.04Å; M93-R96 PolarHBondContact O-N 2.89Å; R96-S98 PolarHBondContact O-N 3.44Å; R96-D99 IonicContact NH1-OD2 2.74Å; R96-D99 PolarHBondContact NH1-OD2 3.14Å; R96-D99 WeakPolarHBondContact O-CB 3.24Å; R96-D99 PolarHBondContact O-N 2.96Å; R96-Y102 HydrophobicContact CB-CD2 4.47Å; R96-Y102 HydrophobicContact CB-CG 4.48Å; R96-Y102 VanDerWaalsContact O-CB 3.31Å; R96-Y102 WeakPolarHBondContact O-CB 3.41Å; R96-Y102 WeakPolarHBondContact O-CD2 3.41Å
97Q89.5Confident93.2Very high93 Ų9369.3 Ų69.344%0.43536%0.364SS..Hα-helixtrans-65.9-25.2176.5-171.9173.9-21.700112.4M93 M94 R95 N104M93-Q97 WeakPolarHBondContact O-CB 3.45Å; M93-Q97 PolarHBondContact O-N 3.45Å; M93-Q97 PolarHBondContact SD-OE1 3.25Å; M94-Q97 PolarHBondContact O-N 3.12Å; R95-Q97 VanDerWaalsContact C-N 3.33Å; R95-Q97 PolarHBondContact O-N 2.93Å; Q97-N104 HydrophobicContact CG-CB 4.4Å; Q97-N104 VanDerWaalsContact OE1-CB 3.3Å; Q97-N104 PolarHBondContact OE1-ND2 3.3Å
98S90Very high93.2Very high94 Ų9470.4 Ų70.466%0.65737%0.371SS*.Hα-helixtrans-78.3-18.1172.175.20000113.8M94 R95 R96M94-S98 PolarHBondContact O-N 2.87Å; M94-S98 VanDerWaalsContact O-N 3.1Å; R95-S98 PolarHBondContact O-N 2.91Å; R95-S98 VanDerWaalsContact O-N 3.12Å; R95-S98 PolarHBondContact O-OG 2.83Å; R96-S98 PolarHBondContact O-N 3.44Å
99D86.3Confident93.1Very high63 Ų6369.6 Ų69.634%0.33737%0.367SS..SBendtrans-73.3133.7174.3-67.4-25.5000109.7R95 R96 G101 Y102R95-D99 PolarHBondContact O-N 3.04Å; R96-D99 IonicContact NH1-OD2 2.74Å; R96-D99 PolarHBondContact NH1-OD2 3.14Å; R96-D99 WeakPolarHBondContact O-CB 3.24Å; R96-D99 PolarHBondContact O-N 2.96Å; D99-G101 PolarHBondContact O-N 3.25Å; D99-Y102 HydrophobicContact CB-CD2 4Å; D99-Y102 HydrophobicContact CB-CE2 4.39Å; D99-Y102 PolarHBondContact O-N 2.86Å
100P83.7Confident93.1Very high84 Ų8467.8 Ų67.855%0.54535%0.354SS..THydrogen-bonded Turntrans-59.3127.4178.1-2230.5000111.8R80R80-P100 VanDerWaalsContact CD-O 3.27Å; R80-P100 WeakPolarHBondContact CD-O 3.3Å; R80-P100 VanDerWaalsContact CZ-O 3.31Å; R80-P100 PolarHBondContact NE-O 2.74Å; R80-P100 VanDerWaalsContact NE-O 3.15Å; R80-P100 PolarHBondContact NH1-O 3.42Å
101G88.6Confident93.2Very high22 Ų2262.8 Ų62.823%0.22733%0.331CS..THydrogen-bonded Turntrans102.5-3.2174.900000115.5S78 S79 D99S78-G101 CarbonylContact C-O 3.5Å; S78-G101 WeakPolarHBondContact CA-O 3.32Å; S79-G101 PolarHBondContact N-O 3.12Å; S79-G101 WeakPolarHBondContact OG-CA 3.31Å; S79-G101 PolarHBondContact OG-O 2.99Å; D99-G101 PolarHBondContact O-N 3.25Å
102Y93.9Very high93.3Very high25 Ų2558.2 Ų58.210%0.09831%0.306CS..EExtended strand (participates in β ladder)trans-92.4135.4166.7-75.2-85.3000111.4L76 Y77 Q81 R96 D99L76-Y102 HydrophobicContact CB-CD1 4.16Å; L76-Y102 HydrophobicContact CD2-CD1 4.33Å; Y77-Y102 CarbonylContact O-C 3.54Å; Y77-Y102 VanDerWaalsContact O-CA 3.32Å; Y77-Y102 WeakPolarHBondContact O-CA 3.31Å; Q81-Y102 PolarHBondContact NE2-OH 3.38Å; R96-Y102 HydrophobicContact CB-CD2 4.47Å; R96-Y102 HydrophobicContact CB-CG 4.48Å; R96-Y102 VanDerWaalsContact O-CB 3.31Å; R96-Y102 WeakPolarHBondContact O-CB 3.41Å; R96-Y102 WeakPolarHBondContact O-CD2 3.41Å; D99-Y102 HydrophobicContact CB-CD2 4Å; D99-Y102 HydrophobicContact CB-CE2 4.39Å; D99-Y102 PolarHBondContact O-N 2.86Å
103T95.2Very high93.5Very high79 Ų7958.1 Ų58.149%0.48531%0.31SS..EExtended strand (participates in β ladder)trans-119.6128.2171.5-56.60000109.2L76 Y77 M105L76-T103 CarbonylContact C-O 3.54Å; L76-T103 VanDerWaalsContact CA-O 3.26Å; L76-T103 WeakPolarHBondContact CA-O 3.4Å; Y77-T103 PolarHBondContact N-O 3.2Å; Y77-T103 PolarHBondContact O-N 3.04Å; T103-M105 HydrophobicContact CG2-SD 4.08Å
104N95.5Very high93.6Very high50 Ų5058.2 Ų58.227%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-79.6120174.3-174-11.9000109.8M93 Q97 G106M93-N104 PolarHBondContact SD-ND2 2.84Å; M93-N104 VanDerWaalsContact SD-ND2 3.38Å; Q97-N104 HydrophobicContact CG-CB 4.4Å; Q97-N104 VanDerWaalsContact OE1-CB 3.3Å; Q97-N104 PolarHBondContact OE1-ND2 3.3Å; N104-G106 PolarHBondContact OD1-N 2.97Å
105M95.7Very high93.6Very high111 Ų11159.9 Ų59.955%0.54732%0.322SS..EExtended strand (participates in β ladder)trans-97.94.1-177.7-53.2-65.3-62.700112.3K75 T103K75-M105 HydrophobicContact CB-CB 4.21Å; K75-M105 HydrophobicContact CD-CB 4.19Å; K75-M105 HydrophobicContact CG-CB 4.01Å; K75-M105 HydrophobicContact CG-CG 4.34Å; K75-M105 WeakPolarHBondContact O-CA 3.28Å; K75-M105 WeakPolarHBondContact O-CB 3.38Å; K75-M105 PolarHBondContact O-N 2.93Å; T103-M105 HydrophobicContact CG2-SD 4.08Å
106G95.4Very high93.6Very high29 Ų2954.1 Ų54.130%0.29932%0.317SS..EExtended strand (participates in β ladder)trans96.5-169.3178.500000114.4K75 N104K75-G106 PolarHBondContact N-O 2.83Å; N104-G106 PolarHBondContact OD1-N 2.97Å
107I96.3Very high93.9Very high70 Ų7051.7 Ų51.736%0.35931%0.312SS..EExtended strand (participates in β ladder)trans-92.2129.7-179-58.4169.3000108.5T59 P72 V73 Y74 G109 Y110T59-I107 HydrophobicContact CG2-CG2 4.12Å; P72-I107 HydrophobicContact CB-CB 4.45Å; P72-I107 HydrophobicContact CB-CD1 3.72Å; P72-I107 HydrophobicContact CB-CG1 3.87Å; P72-I107 HydrophobicContact CB-CG2 3.72Å; V73-I107 WeakPolarHBondContact O-CA 3.33Å; Y74-I107 HydrophobicContact CD1-CG1 3.9Å; Y74-I107 HydrophobicContact CE1-CD1 4.23Å; Y74-I107 HydrophobicContact CE1-CG1 3.88Å; I107-G109 WeakPolarHBondContact CG2-O 3.46Å; I107-Y110 HydrophobicContact CG2-CE2 4.04Å
108V96.1Very high94Very high27 Ų2748.4 Ų48.416%0.16430%0.3CS..EExtended strand (participates in β ladder)trans-105.4-11.4-179.7-64.10000114W56 V73 K75 Y86W56-V108 HydrophobicContact CH2-CB 4.18Å; W56-V108 HydrophobicContact CH2-CG2 3.48Å; W56-V108 VanDerWaalsContact CH2-CG2 3.48Å; W56-V108 HydrophobicContact CZ2-CB 3.94Å; W56-V108 HydrophobicContact CZ2-CG2 3.7Å; W56-V108 HydrophobicContact CZ3-CG2 4.11Å; W56-V108 PolarHBondContact NE1-O 2.86Å; V73-V108 HydrophobicContact CB-CG2 4.02Å; V73-V108 HydrophobicContact CG1-CG2 3.81Å; V73-V108 WeakPolarHBondContact O-CG2 3.29Å; V73-V108 PolarHBondContact O-N 2.95Å; K75-V108 HydrophobicContact CB-CG1 3.71Å; K75-V108 HydrophobicContact CD-CG1 3.83Å; K75-V108 HydrophobicContact CG-CG1 4.42Å; Y86-V108 HydrophobicContact CD1-CG2 3.93Å; Y86-V108 HydrophobicContact CE1-CG2 4.05Å
109G96.4Very high94Very high0 Ų046.4 Ų46.40%028%0.28CS..EExtended strand (participates in β ladder)trans171.6-172.7179.800000110.8V57 V73 I107V57-G109 CarbonylContact O-C 3.55Å; V57-G109 VanDerWaalsContact O-CA 3.3Å; V57-G109 WeakPolarHBondContact O-CA 3.35Å; V73-G109 PolarHBondContact N-O 3.27Å; I107-G109 WeakPolarHBondContact CG2-O 3.46Å
110Y97.3Very high94.4Very high46 Ų4643.4 Ų43.418%0.1826%0.264CS..EExtended strand (participates in β ladder)trans-128.5132.3177.2-67.6-107.1000110.7W56 V57 T59 S62 L70 K71 P72 I107W56-Y110 WeakPolarHBondContact CB-O 3.46Å; V57-Y110 PolarHBondContact N-O 3.02Å; V57-Y110 PolarHBondContact O-N 2.81Å; T59-Y110 HydrophobicContact CG2-CE2 4.48Å; S62-Y110 VanDerWaalsContact CB-CD2 3.46Å; L70-Y110 HydrophobicContact CB-CD1 4.38Å; K71-Y110 VanDerWaalsContact O-CA 3.3Å; K71-Y110 WeakPolarHBondContact O-CA 3.22Å; P72-Y110 HydrophobicContact CB-CD1 4.32Å; P72-Y110 HydrophobicContact CB-CE1 4.02Å; I107-Y110 HydrophobicContact CG2-CE2 4.04Å
111A97.8Very high94.9Very high0 Ų042.8 Ų42.80%026%0.258CS..EExtended strand (participates in β ladder)trans-130.1-172.3-178.100000109.6L70 K71 V73 I88 F159 I161L70-A111 WeakPolarHBondContact CA-O 3.37Å; K71-A111 PolarHBondContact N-O 2.74Å; K71-A111 PolarHBondContact O-N 2.78Å; V73-A111 HydrophobicContact CG2-CB 3.56Å; I88-A111 HydrophobicContact CG2-CB 4.39Å; A111-F159 HydrophobicContact CB-CB 4.2Å; A111-F159 HydrophobicContact CB-CD2 3.76Å; A111-F159 HydrophobicContact CB-CE2 4.46Å; A111-F159 HydrophobicContact CB-CG 4.19Å; A111-I161 HydrophobicContact CB-CG2 4.03Å
112V97.5Very high95.3Very high0 Ų043 Ų430%026%0.255CS..BIsolated β-bridgetrans-125.4164.8175.2-64.20000110.9L70 G114 V117 C118 A120 F159 A160 W162L70-V112 HydrophobicContact CD2-CG1 4.39Å; V112-G114 PolarHBondContact O-N 2.79Å; V112-V117 HydrophobicContact CB-CB 3.86Å; V112-V117 HydrophobicContact CB-CG1 3.74Å; V112-V117 HydrophobicContact CG1-CB 4.37Å; V112-V117 HydrophobicContact CG1-CG1 3.86Å; V112-V117 HydrophobicContact CG2-CB 3.86Å; V112-V117 HydrophobicContact CG2-CG1 4.27Å; V112-V117 WeakPolarHBondContact CG2-O 3.49Å; V112-C118 HydrophobicContact CG1-CB 4.21Å; V112-A120 HydrophobicContact CG2-CB 3.29Å; V112-F159 WeakPolarHBondContact O-CA 3.31Å; V112-F159 WeakPolarHBondContact O-CB 3.21Å; V112-A160 HydrophobicContact CG2-CB 4.13Å; V112-A160 WeakPolarHBondContact CG2-O 3.19Å; V112-A160 PolarHBondContact N-O 3.24Å; V112-A160 VanDerWaalsContact N-O 3.12Å; V112-A160 PolarHBondContact O-N 3.04Å; V112-W162 HydrophobicContact CG1-CH2 4.08Å; V112-W162 HydrophobicContact CG1-CZ2 4.08Å
113S97Very high95.5Very high57 Ų5742.2 Ų42.240%0.39925%0.253SS..SBendtrans-67-19.3-173.152.20000115.7
114G95.3Very high95.7Very high16 Ų1638.5 Ų38.517%0.16523%0.23CC..SBendtrans-176.8172-177.700000112.5V112 V117 A160V112-G114 PolarHBondContact O-N 2.79Å; G114-V117 WeakPolarHBondContact O-CB 3.46Å; G114-V117 PolarHBondContact O-N 3.1Å; G114-A160 WeakPolarHBondContact O-CB 3.32Å
115E95.3Very high95.8Very high125 Ų12538 Ų3858%0.58423%0.225SC*.THydrogen-bonded Turntrans-58.5144.8179.9-163.4-179.2164.100111.5V117 A120E115-V117 PolarHBondContact O-N 2.86Å; E115-A120 CarbonylContact C-O 3.57Å; E115-A120 WeakPolarHBondContact CA-O 3.39Å
116G93.6Very high95.9Very high56 Ų5633.7 Ų33.758%0.57720%0.203SC*.THydrogen-bonded Turntrans85.3-24.7-178.500000114.4C118 Q119 A120G116-C118 PolarHBondContact O-N 2.91Å; G116-Q119 PolarHBondContact O-N 2.88Å; G116-A120 PolarHBondContact N-O 2.88Å
117V94.6Very high96Very high38 Ų3832.3 Ų32.323%0.2319%0.189CC..G310 helixtrans-67.9124176.5-176.20000109.2Q69 V112 G114 E115 Q119 A120Q69-V117 HydrophobicContact CB-CG1 3.49Å; Q69-V117 VanDerWaalsContact CB-CG1 3.49Å; Q69-V117 HydrophobicContact CG-CG1 3.89Å; V112-V117 HydrophobicContact CB-CB 3.86Å; V112-V117 HydrophobicContact CB-CG1 3.74Å; V112-V117 HydrophobicContact CG1-CB 4.37Å; V112-V117 HydrophobicContact CG1-CG1 3.86Å; V112-V117 HydrophobicContact CG2-CB 3.86Å; V112-V117 HydrophobicContact CG2-CG1 4.27Å; V112-V117 WeakPolarHBondContact CG2-O 3.49Å; G114-V117 WeakPolarHBondContact O-CB 3.46Å; G114-V117 PolarHBondContact O-N 3.1Å; E115-V117 PolarHBondContact O-N 2.86Å; V117-Q119 PolarHBondContact O-N 2.8Å; V117-A120 WeakPolarHBondContact O-CB 3.48Å; V117-A120 PolarHBondContact O-N 2.85Å
118C92.3Very high96Very high25 Ų2533.4 Ų33.417%0.16919%0.189CC..G310 helixtrans48.134.9-177.3-57.20000114.1I8 F9 C67 V112 G116 A120 W162I8-C118 HydrophobicContact CG2-CB 4.25Å; F9-C118 HydrophobicContact CE2-CB 4.32Å; F9-C118 HydrophobicContact CZ-CB 4.1Å; C67-C118 VanDerWaalsContact CA-SG 3.54Å; C67-C118 HydrophobicContact CB-CB 3.65Å; C67-C118 WeakPolarHBondContact CB-SG 3.4Å; C67-C118 WeakPolarHBondContact SG-CB 3.43Å; C67-C118 CovalentContact SG-SG 2.01Å; C67-C118 PolarHBondContact SG-SG 3.16Å; V112-C118 HydrophobicContact CG1-CB 4.21Å; G116-C118 PolarHBondContact O-N 2.91Å; C118-A120 PolarHBondContact O-N 2.89Å; C118-W162 HydrophobicContact CB-CZ2 4.23Å; C118-W162 PolarHBondContact O-NE1 3.1Å
119Q90.7Very high95.9Very high52 Ų5235.7 Ų35.724%0.24320%0.195CC..G310 helixtrans6120.3-178.2-54.4179.31000115.3L3 L5 I8 G116 V117 T121L3-Q119 VanDerWaalsContact O-CD 3.29Å; L3-Q119 PolarHBondContact O-NE2 3.16Å; L3-Q119 PolarHBondContact O-OE1 3.04Å; L3-Q119 VanDerWaalsContact O-OE1 3.1Å; L5-Q119 HydrophobicContact CD1-CB 4.37Å; I8-Q119 HydrophobicContact CD1-CB 4.07Å; I8-Q119 HydrophobicContact CD1-CG 3.52Å; G116-Q119 PolarHBondContact O-N 2.88Å; V117-Q119 PolarHBondContact O-N 2.8Å; Q119-T121 PolarHBondContact O-N 3.34Å
120A93.9Very high95.5Very high0 Ų044.5 Ų44.50%023%0.228CC..  trans-64.8118.9164.600000108.7V112 E115 G116 V117 C118 A160 I161 W162V112-A120 HydrophobicContact CG2-CB 3.29Å; E115-A120 CarbonylContact C-O 3.57Å; E115-A120 WeakPolarHBondContact CA-O 3.39Å; G116-A120 PolarHBondContact N-O 2.88Å; V117-A120 WeakPolarHBondContact O-CB 3.48Å; V117-A120 PolarHBondContact O-N 2.85Å; C118-A120 PolarHBondContact O-N 2.89Å; A120-A160 HydrophobicContact CB-CB 3.85Å; A120-I161 CarbonylContact C-O 3.44Å; A120-I161 WeakPolarHBondContact CA-O 3.38Å; A120-I161 WeakPolarHBondContact CB-O 3.45Å; A120-W162 HydrophobicContact CB-CZ2 4.31Å
121T95.1Very high95Very high70 Ų7048.1 Ų48.143%0.42925%0.251SS..  trans-114.23.7-17955.10000112.6Q119 P123 I161Q119-T121 PolarHBondContact O-N 3.34Å; T121-P123 WeakPolarHBondContact O-CD 3.25Å; T121-I161 PolarHBondContact N-O 3.34Å
122V97.3Very high94.6Very high26 Ų2652 Ų5216%0.15827%0.266CS..EExtended strand (participates in β ladder)trans-116.192.8-176.8-176.80000109.2I53 A160 I161 P163I53-V122 WeakPolarHBondContact O-CG1 3.44Å; V122-A160 CarbonylContact O-C 3.53Å; V122-A160 WeakPolarHBondContact O-CA 3.36Å; V122-I161 HydrophobicContact CB-CG1 3.76Å; V122-I161 WeakPolarHBondContact CB-O 3.41Å; V122-I161 HydrophobicContact CG1-CD1 4.27Å; V122-I161 HydrophobicContact CG1-CG1 3.78Å; V122-I161 PolarHBondContact N-O 3.12Å; V122-I161 PolarHBondContact O-N 2.78Å; V122-P163 HydrophobicContact CG2-CB 4.15Å
123P98Very high94.3Very high10 Ų1052 Ų527%0.06527%0.266CS..EExtended strand (participates in β ladder)trans-66.6138.5170.627.1-33.4000110.9T121 Y125 V157T121-P123 WeakPolarHBondContact O-CD 3.25Å; P123-Y125 HydrophobicContact CB-CE1 3.97Å; P123-Y125 HydrophobicContact CB-CE2 4.23Å; P123-Y125 HydrophobicContact CG-CE1 4.15Å; P123-Y125 HydrophobicContact CG-CE2 3.87Å; P123-Y125 VanDerWaalsContact CG-CZ 3.5Å; P123-Y125 WeakPolarHBondContact CG-OH 3.44Å; P123-V157 HydrophobicContact CB-CG1 4.03Å; P123-V157 HydrophobicContact CB-CG2 4.21Å
124V98.6Very high94.1Very high0 Ų049.6 Ų49.60%025%0.248CC..EExtended strand (participates in β ladder)trans-103.8117169.1-179.50000107.8L30 I53 Q136 S158 F159 I161L30-V124 HydrophobicContact CD1-CG1 4.28Å; I53-V124 HydrophobicContact CD1-CG2 4.13Å; V124-Q136 HydrophobicContact CG1-CB 3.76Å; V124-S158 PolarHBondContact O-N 3.1Å; V124-F159 HydrophobicContact CB-CD2 4.13Å; V124-F159 HydrophobicContact CB-CE2 3.91Å; V124-F159 HydrophobicContact CB-CZ 4.24Å; V124-F159 HydrophobicContact CG1-CE2 4.29Å; V124-F159 HydrophobicContact CG1-CZ 4.15Å; V124-F159 HydrophobicContact CG2-CD2 4.03Å; V124-F159 HydrophobicContact CG2-CE2 3.64Å; V124-F159 HydrophobicContact CG2-CZ 4.31Å; V124-F159 PolarHBondContact N-O 3.16Å; V124-I161 HydrophobicContact CG2-CD1 3.88Å; V124-I161 HydrophobicContact CG2-CG1 4.1Å; V124-I161 HydrophobicContact CG2-CG2 4.37Å
125Y98.3Very high94.2Very high40 Ų4048.9 Ų48.916%0.15724%0.241CC..EExtended strand (participates in β ladder)trans-93.9140.6-172.9-60.4-69.2000112P123 Q136 V137 A139 M142 W154 G156 V157P123-Y125 HydrophobicContact CB-CE1 3.97Å; P123-Y125 HydrophobicContact CB-CE2 4.23Å; P123-Y125 HydrophobicContact CG-CE1 4.15Å; P123-Y125 HydrophobicContact CG-CE2 3.87Å; P123-Y125 VanDerWaalsContact CG-CZ 3.5Å; P123-Y125 WeakPolarHBondContact CG-OH 3.44Å; Y125-Q136 CarbonylContact O-C 3.57Å; Y125-Q136 VanDerWaalsContact O-CA 3.23Å; Y125-Q136 WeakPolarHBondContact O-CA 3.32Å; Y125-V137 PolarHBondContact N-O 3.24Å; Y125-V137 PolarHBondContact O-N 3.31Å; Y125-A139 HydrophobicContact CE2-CB 3.82Å; Y125-M142 HydrophobicContact CD1-SD 4.37Å; Y125-M142 HydrophobicContact CD2-CB 4.38Å; Y125-M142 HydrophobicContact CD2-CG 4.37Å; Y125-M142 HydrophobicContact CD2-SD 3.98Å; Y125-M142 HydrophobicContact CE1-SD 4.37Å; Y125-M142 HydrophobicContact CE2-SD 4.03Å; Y125-M142 HydrophobicContact CG-SD 4.12Å; Y125-W154 AromaticContact CD1-CH2 3.04Å; Y125-W154 HydrophobicContact CD1-CH2 3.04Å; Y125-W154 AromaticContact CD1-CZ2 3.88Å; Y125-W154 HydrophobicContact CD1-CZ2 3.88Å; Y125-W154 AromaticContact CD1-CZ3 3.71Å; Y125-W154 HydrophobicContact CD1-CZ3 3.71Å; Y125-W154 AromaticContact CE1-CH2 3.58Å; Y125-W154 HydrophobicContact CE1-CH2 3.58Å; Y125-W154 HydrophobicContact CE1-CZ2 4.27Å; Y125-W154 AromaticContact CG-CH2 3.64Å; Y125-W154 HydrophobicContact CG-CH2 3.64Å; Y125-W154 AromaticContact CG-CZ3 3.81Å; Y125-W154 HydrophobicContact CG-CZ3 3.81Å; Y125-G156 WeakPolarHBondContact CA-O 3.23Å; Y125-V157 HydrophobicContact CD1-CG2 3.78Å; Y125-V157 HydrophobicContact CE1-CG2 3.68Å
126E97.7Very high94.3Very high20 Ų2042.9 Ų42.99%0.09321%0.213CC..EExtended strand (participates in β ladder)trans-104.9133.2-176.5-160.9169.7121.300111.7Y85 I134 Q136 Q155 G156 S158Y85-E126 VanDerWaalsContact CE2-OE2 3.23Å; Y85-E126 WeakPolarHBondContact CE2-OE2 3.27Å; Y85-E126 PolarHBondContact OH-OE1 3.06Å; Y85-E126 VanDerWaalsContact OH-OE1 3.04Å; Y85-E126 PolarHBondContact OH-OE2 2.65Å; Y85-E126 VanDerWaalsContact OH-OE2 3.1Å; E126-I134 HydrophobicContact CG-CG2 3.64Å; E126-Q136 HydrophobicContact CG-CG 4.34Å; E126-Q155 HydrophobicContact CB-CB 3.83Å; E126-Q155 HydrophobicContact CG-CB 3.9Å; E126-Q155 HydrophobicContact CG-CG 4.41Å; E126-Q155 PolarHBondContact O-N 3.39Å; E126-G156 PolarHBondContact N-O 3.44Å; E126-S158 VanDerWaalsContact CB-OG 3.23Å; E126-S158 WeakPolarHBondContact CB-OG 3.46Å; E126-S158 PolarHBondContact OE2-OG 3.36Å
127F97.2Very high94.5Very high1 Ų140.2 Ų40.20%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-132.7143.2171.4-65.2-99.7000110I134 V135 V137 M142 Y145 L146 Y152 V153 W154F127-I134 VanDerWaalsContact O-CA 3.32Å; F127-I134 WeakPolarHBondContact O-CA 3.23Å; F127-V135 HydrophobicContact CB-CG2 3.71Å; F127-V135 PolarHBondContact N-O 3.03Å; F127-V135 PolarHBondContact O-N 3.13Å; F127-V137 HydrophobicContact CD2-CG2 3.99Å; F127-V137 HydrophobicContact CE2-CG2 3.67Å; F127-M142 HydrophobicContact CE2-CG 3.97Å; F127-M142 HydrophobicContact CZ-CG 3.61Å; F127-Y145 HydrophobicContact CD2-CG 4.33Å; F127-Y145 WeakPolarHBondContact CE1-O 3.34Å; F127-Y145 HydrophobicContact CG-CG 4.41Å; F127-L146 HydrophobicContact CE1-CD2 3.84Å; F127-L146 HydrophobicContact CE1-CG 4.06Å; F127-L146 HydrophobicContact CZ-CD2 4.14Å; F127-L146 HydrophobicContact CZ-CG 4.07Å; F127-Y152 HydrophobicContact CB-CD1 3.82Å; F127-Y152 HydrophobicContact CB-CG 4.27Å; F127-V153 CarbonylContact C-O 3.58Å; F127-V153 VanDerWaalsContact CA-O 3.31Å; F127-V153 WeakPolarHBondContact CA-O 3.32Å; F127-W154 HydrophobicContact CD1-CB 4.47Å; F127-W154 HydrophobicContact CD1-CE3 4.19Å; F127-W154 HydrophobicContact CD2-CE3 4.38Å; F127-W154 HydrophobicContact CE1-CB 4.36Å; F127-W154 AromaticContact CE1-CE3 3.56Å; F127-W154 HydrophobicContact CE1-CE3 3.56Å; F127-W154 HydrophobicContact CE1-CZ3 4.24Å; F127-W154 AromaticContact CE2-CE3 3.75Å; F127-W154 HydrophobicContact CE2-CE3 3.75Å; F127-W154 AromaticContact CE2-CZ3 3.75Å; F127-W154 HydrophobicContact CE2-CZ3 3.75Å; F127-W154 AromaticContact CZ-CE3 3.31Å; F127-W154 HydrophobicContact CZ-CE3 3.31Å; F127-W154 AromaticContact CZ-CZ3 3.52Å; F127-W154 HydrophobicContact CZ-CZ3 3.52Å
128W95Very high94.6Very high93 Ų9338.7 Ų38.735%0.35218%0.176SC..EExtended strand (participates in β ladder)trans-120.9138.9177.3176.382.9000111.3R130 G133 I134 V153 Q155W128-R130 HydrophobicContact CH2-CB 3.74Å; W128-R130 HydrophobicContact CH2-CG 4.41Å; W128-R130 HydrophobicContact CZ2-CB 4.12Å; W128-R130 HydrophobicContact CZ3-CB 4.34Å; W128-G133 WeakPolarHBondContact CA-O 3.45Å; W128-I134 HydrophobicContact CB-CG1 4.42Å; W128-V153 PolarHBondContact N-O 2.7Å; W128-V153 PolarHBondContact O-N 2.9Å; W128-Q155 HydrophobicContact CB-CG 3.85Å
129R94Very high94.7Very high75 Ų7540 Ų4028%0.28319%0.188SC..EExtended strand (participates in β ladder)trans-133.1133.5170.1176.2173.6-179.6-168.4-3.4110.5N131 Y132 G133 S150 G151 Y152R129-N131 PolarHBondContact O-N 3.31Å; R129-Y132 HydrophobicContact CG-CD2 3.9Å; R129-Y132 HydrophobicContact CG-CG 4.23Å; R129-Y132 PolarHBondContact O-N 3.28Å; R129-Y132 VanDerWaalsContact O-N 3.1Å; R129-G133 PolarHBondContact N-O 3.26Å; R129-G133 PolarHBondContact O-N 2.92Å; R129-S150 WeakPolarHBondContact CD-O 3.17Å; R129-S150 PolarHBondContact NH1-O 3.12Å; R129-G151 WeakPolarHBondContact CG-O 3.49Å; R129-Y152 HydrophobicContact CB-CD1 3.47Å; R129-Y152 VanDerWaalsContact CB-CD1 3.47Å; R129-Y152 HydrophobicContact CB-CD2 4.25Å; R129-Y152 HydrophobicContact CB-CE1 3.52Å; R129-Y152 HydrophobicContact CB-CE2 4.31Å; R129-Y152 HydrophobicContact CB-CG 3.86Å
130R89.5Confident94.9Very high184 Ų18444.2 Ų44.269%0.69420%0.202SC*.THydrogen-bonded Turntrans-53.1132.3174.9-174.5178.1177.2179.81.1110.5W128 Y132W128-R130 HydrophobicContact CH2-CB 3.74Å; W128-R130 HydrophobicContact CH2-CG 4.41Å; W128-R130 HydrophobicContact CZ2-CB 4.12Å; W128-R130 HydrophobicContact CZ3-CB 4.34Å; R130-Y132 WeakPolarHBondContact O-CD2 3.49Å; R130-Y132 PolarHBondContact O-N 3.37Å
131N86.9Confident95Very high123 Ų12345.3 Ų45.366%0.65821%0.207SC*.THydrogen-bonded Turntrans68.1-2.2-178.8-50.4-26.1000116.7R129R129-N131 PolarHBondContact O-N 3.31Å
132Y89.2Confident94.9Very high81 Ų8144.1 Ų44.132%0.31820%0.197SC..THydrogen-bonded Turntrans-114.8-32.5174.8-72.8-109000110.9T26 S83 R129 R130T26-Y132 HydrophobicContact CG2-CD1 3.54Å; T26-Y132 HydrophobicContact CG2-CE1 3.6Å; S83-Y132 VanDerWaalsContact CB-O 3.3Å; S83-Y132 WeakPolarHBondContact CB-O 3.45Å; S83-Y132 PolarHBondContact OG-O 3.31Å; R129-Y132 HydrophobicContact CG-CD2 3.9Å; R129-Y132 HydrophobicContact CG-CG 4.23Å; R129-Y132 PolarHBondContact O-N 3.28Å; R129-Y132 VanDerWaalsContact O-N 3.1Å; R130-Y132 WeakPolarHBondContact O-CD2 3.49Å; R130-Y132 PolarHBondContact O-N 3.37Å
133G90.7Very high94.8Very high0 Ų046.4 Ų46.40%021%0.213CC..EExtended strand (participates in β ladder)trans85.7-146.217900000114.3W128 R129W128-G133 WeakPolarHBondContact CA-O 3.45Å; R129-G133 PolarHBondContact N-O 3.26Å; R129-G133 PolarHBondContact O-N 2.92Å
134I93.4Very high94.6Very high7 Ų751.4 Ų51.44%0.03624%0.238CC..EExtended strand (participates in β ladder)trans-95136.3-168.9-65.4174.3000110.5Y85 E126 F127 W128 Q136Y85-I134 HydrophobicContact CD1-CD1 3.4Å; Y85-I134 HydrophobicContact CD2-CB 4.04Å; Y85-I134 HydrophobicContact CD2-CD1 3.6Å; Y85-I134 HydrophobicContact CD2-CG1 4.4Å; Y85-I134 HydrophobicContact CD2-CG2 3.61Å; Y85-I134 HydrophobicContact CE1-CD1 3.38Å; Y85-I134 HydrophobicContact CE2-CD1 3.6Å; Y85-I134 HydrophobicContact CE2-CG2 3.9Å; Y85-I134 HydrophobicContact CG-CB 4.27Å; Y85-I134 HydrophobicContact CG-CD1 3.54Å; Y85-I134 HydrophobicContact CG-CG1 4.45Å; Y85-I134 HydrophobicContact CG-CG2 4.34Å; Y85-I134 VanDerWaalsContact CZ-CD1 3.49Å; E126-I134 HydrophobicContact CG-CG2 3.64Å; F127-I134 VanDerWaalsContact O-CA 3.32Å; F127-I134 WeakPolarHBondContact O-CA 3.23Å; W128-I134 HydrophobicContact CB-CG1 4.42Å; I134-Q136 HydrophobicContact CG2-CG 3.99Å
135V96.2Very high94.4Very high0 Ų052.7 Ų52.70%024%0.243CC..EExtended strand (participates in β ladder)trans-123140.7167.2-60.90000109.1Y21 N28 F127 Y145 Y152Y21-V135 HydrophobicContact CE2-CG1 4.23Å; N28-V135 HydrophobicContact CB-CB 4.35Å; N28-V135 HydrophobicContact CB-CG1 4.05Å; F127-V135 HydrophobicContact CB-CG2 3.71Å; F127-V135 PolarHBondContact N-O 3.03Å; F127-V135 PolarHBondContact O-N 3.13Å; V135-Y145 HydrophobicContact CB-CE1 4.29Å; V135-Y145 HydrophobicContact CG1-CE1 4.44Å; V135-Y145 HydrophobicContact CG2-CD1 3.68Å; V135-Y145 HydrophobicContact CG2-CE1 3.55Å; V135-Y145 HydrophobicContact CG2-CG 4.4Å; V135-Y152 HydrophobicContact CB-CE1 4.26Å; V135-Y152 HydrophobicContact CG1-CE1 3.76Å; V135-Y152 WeakPolarHBondContact CG1-OH 3.37Å; V135-Y152 HydrophobicContact CG2-CD1 3.78Å; V135-Y152 HydrophobicContact CG2-CE1 3.5Å; V135-Y152 VanDerWaalsContact CG2-CE1 3.5Å
136Q97.8Very high94.3Very high0 Ų055.4 Ų55.40%026%0.26CS..EExtended strand (participates in β ladder)trans-125.5121.3-177-74.1168.8-69.800109.6R19 N28 L30 Y86 V124 Y125 E126 I134 S158R19-Q136 PolarHBondContact NE-O 3.34Å; N28-Q136 PolarHBondContact ND2-N 2.89Å; L30-Q136 HydrophobicContact CD1-CB 4.03Å; Y86-Q136 VanDerWaalsContact CB-OE1 3.28Å; Y86-Q136 VanDerWaalsContact CD2-OE1 3.27Å; Y86-Q136 PolarHBondContact O-NE2 3.14Å; Y86-Q136 PolarHBondContact O-OE1 3.47Å; V124-Q136 HydrophobicContact CG1-CB 3.76Å; Y125-Q136 CarbonylContact O-C 3.57Å; Y125-Q136 VanDerWaalsContact O-CA 3.23Å; Y125-Q136 WeakPolarHBondContact O-CA 3.32Å; E126-Q136 HydrophobicContact CG-CG 4.34Å; I134-Q136 HydrophobicContact CG2-CG 3.99Å; Q136-S158 PolarHBondContact NE2-OG 3.48Å
137V97.8Very high94Very high0 Ų059 Ų590%028%0.28CS..EExtended strand (participates in β ladder)trans-136.1148.4-162.6-56.30000112.5Y125 F127 Q141 Y145Y125-V137 PolarHBondContact N-O 3.24Å; Y125-V137 PolarHBondContact O-N 3.31Å; F127-V137 HydrophobicContact CD2-CG2 3.99Å; F127-V137 HydrophobicContact CE2-CG2 3.67Å; V137-Q141 HydrophobicContact CB-CB 4.1Å; V137-Y145 HydrophobicContact CB-CE2 4.46Å; V137-Y145 HydrophobicContact CG1-CD2 4.01Å; V137-Y145 HydrophobicContact CG1-CE2 3.58Å; V137-Y145 HydrophobicContact CG2-CD2 4.23Å
138P96.6Very high93.4Very high5 Ų564.9 Ų64.93%0.03232%0.32CS..EExtended strand (participates in β ladder)trans-72.9163.9169.733.5-37.4000110.9I53 R140 Q141 M142I53-P138 HydrophobicContact CB-CB 4.14Å; I53-P138 HydrophobicContact CB-CG 4.16Å; I53-P138 HydrophobicContact CG2-CB 4.3Å; I53-P138 HydrophobicContact CG2-CG 3.76Å; P138-R140 VanDerWaalsContact C-N 3.26Å; P138-R140 HydrophobicContact CB-CG 4.4Å; P138-R140 HydrophobicContact CG-CG 3.97Å; P138-R140 PolarHBondContact O-N 3.49Å; P138-R140 VanDerWaalsContact O-N 3.13Å; P138-Q141 HydrophobicContact CG-CB 4.22Å; P138-Q141 HydrophobicContact CG-CG 4.17Å; P138-Q141 PolarHBondContact O-N 3.08Å; P138-M142 PolarHBondContact O-N 2.86Å
139A95.6Very high93.1Very high52 Ų5265.4 Ų65.443%0.4334%0.338SS..G310 helixtrans-47.1-44.7177.900000113.9Y125 Q141 M142 P143Y125-A139 HydrophobicContact CE2-CB 3.82Å; A139-Q141 PolarHBondContact O-N 3.27Å; A139-Q141 VanDerWaalsContact O-N 3.14Å; A139-M142 WeakPolarHBondContact O-CB 3.32Å; A139-M142 PolarHBondContact O-N 3.01Å; A139-M142 VanDerWaalsContact O-N 3.12Å; A139-P143 WeakPolarHBondContact O-CD 3.36Å
140R94.8Very high92.9Very high141 Ų14162.7 Ų62.753%0.53233%0.331SS..G310 helixtrans-62.9-21.4-178.270-179.9-172.2-97.8-0.6114.6V52 P138V52-R140 PolarHBondContact O-NH1 2.75Å; V52-R140 PolarHBondContact O-NH2 3.05Å; P138-R140 VanDerWaalsContact C-N 3.26Å; P138-R140 HydrophobicContact CB-CG 4.4Å; P138-R140 HydrophobicContact CG-CG 3.97Å; P138-R140 PolarHBondContact O-N 3.49Å; P138-R140 VanDerWaalsContact O-N 3.13Å
141Q94.6Very high93Very high23 Ų2355.8 Ų55.811%0.10732%0.317CS..G310 helixtrans-102.2-12.5178.9-73.2171.98.300112.3R19 L50 V137 P138 A139 P143 L144 Y145R19-Q141 VanDerWaalsContact CD-OE1 3.27Å; L50-Q141 PolarHBondContact O-NE2 2.82Å; L50-Q141 VanDerWaalsContact O-NE2 3.16Å; V137-Q141 HydrophobicContact CB-CB 4.1Å; P138-Q141 HydrophobicContact CG-CB 4.22Å; P138-Q141 HydrophobicContact CG-CG 4.17Å; P138-Q141 PolarHBondContact O-N 3.08Å; A139-Q141 PolarHBondContact O-N 3.27Å; A139-Q141 VanDerWaalsContact O-N 3.14Å; Q141-P143 VanDerWaalsContact C-CD 3.43Å; Q141-L144 PolarHBondContact O-N 3.5Å; Q141-Y145 WeakPolarHBondContact O-CD2 3.31Å
142M94.7Very high93.5Very high45 Ų4551.2 Ų51.222%0.22229%0.291CS..Hα-helixtrans-53.6-42-179.5-170-174.166.800114Y125 F127 P138 A139 L144 Y145 L146 W154Y125-M142 HydrophobicContact CD1-SD 4.37Å; Y125-M142 HydrophobicContact CD2-CB 4.38Å; Y125-M142 HydrophobicContact CD2-CG 4.37Å; Y125-M142 HydrophobicContact CD2-SD 3.98Å; Y125-M142 HydrophobicContact CE1-SD 4.37Å; Y125-M142 HydrophobicContact CE2-SD 4.03Å; Y125-M142 HydrophobicContact CG-SD 4.12Å; F127-M142 HydrophobicContact CE2-CG 3.97Å; F127-M142 HydrophobicContact CZ-CG 3.61Å; P138-M142 PolarHBondContact O-N 2.86Å; A139-M142 WeakPolarHBondContact O-CB 3.32Å; A139-M142 PolarHBondContact O-N 3.01Å; A139-M142 VanDerWaalsContact O-N 3.12Å; M142-L144 PolarHBondContact O-N 2.88Å; M142-L144 VanDerWaalsContact O-N 3.12Å; M142-Y145 PolarHBondContact O-N 3.35Å; M142-L146 HydrophobicContact CE-CD1 3.81Å; M142-L146 HydrophobicContact CG-CD1 3.89Å; M142-L146 HydrophobicContact CG-CG 4.22Å; M142-L146 PolarHBondContact O-N 3.41Å; M142-L146 HydrophobicContact SD-CD1 4.21Å; M142-W154 HydrophobicContact CG-CZ3 3.91Å; M142-W154 HydrophobicContact SD-CH2 3.68Å; M142-W154 HydrophobicContact SD-CZ3 3.58Å; M142-W154 VanDerWaalsContact SD-CZ3 3.58Å
143P95.1Very high93.8Very high74 Ų7451 Ų5148%0.48130%0.298SS..Hα-helixtrans-57.1-31.9-177.9-2837.1000114.2A139 Q141 Y145 L146A139-P143 WeakPolarHBondContact O-CD 3.36Å; Q141-P143 VanDerWaalsContact C-CD 3.43Å; P143-Y145 PolarHBondContact O-N 2.92Å; P143-L146 PolarHBondContact O-N 2.97Å
144L92.8Very high94.1Very high116 Ų11656.1 Ų56.161%0.60732%0.317SS*.Hα-helixtrans-65.4-27.7179.7-62.6173.2000113Q141 M142Q141-L144 PolarHBondContact O-N 3.5Å; M142-L144 PolarHBondContact O-N 2.88Å; M142-L144 VanDerWaalsContact O-N 3.12Å
145Y95.5Very high94.2Very high27 Ų2760.6 Ų60.611%0.10634%0.338CS..Hα-helixtrans-98.8-12.2-177.1-63.4-85.2000112.9R19 F127 V135 V137 Q141 M142 P143 S150 Y152R19-Y145 PolarHBondContact NH1-OH 3.04Å; R19-Y145 PolarHBondContact NH2-OH 3.26Å; F127-Y145 HydrophobicContact CD2-CG 4.33Å; F127-Y145 WeakPolarHBondContact CE1-O 3.34Å; F127-Y145 HydrophobicContact CG-CG 4.41Å; V135-Y145 HydrophobicContact CB-CE1 4.29Å; V135-Y145 HydrophobicContact CG1-CE1 4.44Å; V135-Y145 HydrophobicContact CG2-CD1 3.68Å; V135-Y145 HydrophobicContact CG2-CE1 3.55Å; V135-Y145 HydrophobicContact CG2-CG 4.4Å; V137-Y145 HydrophobicContact CB-CE2 4.46Å; V137-Y145 HydrophobicContact CG1-CD2 4.01Å; V137-Y145 HydrophobicContact CG1-CE2 3.58Å; V137-Y145 HydrophobicContact CG2-CD2 4.23Å; Q141-Y145 WeakPolarHBondContact O-CD2 3.31Å; M142-Y145 PolarHBondContact O-N 3.35Å; P143-Y145 PolarHBondContact O-N 2.92Å; Y145-S150 PolarHBondContact O-OG 2.86Å; Y145-S150 VanDerWaalsContact O-OG 3.13Å; Y145-Y152 HydrophobicContact CD1-CD1 4.26Å; Y145-Y152 AromaticContact CD1-CD2 3.61Å; Y145-Y152 HydrophobicContact CD1-CD2 3.61Å; Y145-Y152 AromaticContact CD1-CE2 3.85Å; Y145-Y152 HydrophobicContact CD1-CE2 3.85Å; Y145-Y152 AromaticContact CD1-CG 3.82Å; Y145-Y152 HydrophobicContact CD1-CG 3.82Å; Y145-Y152 HydrophobicContact CE1-CD2 4.11Å; Y145-Y152 AromaticContact CE1-CE2 3.85Å; Y145-Y152 HydrophobicContact CE1-CE2 3.85Å
146L95.1Very high94.1Very high96 Ų9661.4 Ų61.450%0.50335%0.346SS..Hα-helixtrans-82.4-18.3173.3-72.2170.8000112.9F127 M142 P143 S148 W154F127-L146 HydrophobicContact CE1-CD2 3.84Å; F127-L146 HydrophobicContact CE1-CG 4.06Å; F127-L146 HydrophobicContact CZ-CD2 4.14Å; F127-L146 HydrophobicContact CZ-CG 4.07Å; M142-L146 HydrophobicContact CE-CD1 3.81Å; M142-L146 HydrophobicContact CG-CD1 3.89Å; M142-L146 HydrophobicContact CG-CG 4.22Å; M142-L146 PolarHBondContact O-N 3.41Å; M142-L146 HydrophobicContact SD-CD1 4.21Å; P143-L146 PolarHBondContact O-N 2.97Å; L146-S148 PolarHBondContact O-N 3.19Å; L146-W154 HydrophobicContact CD2-CE3 4.46Å
147L92.3Very high94.1Very high97 Ų9764.7 Ų64.751%0.50837%0.366SS..SBendtrans-62.6129.3174.5-60.8175.9000109.5S149 S150L147-S149 PolarHBondContact O-N 2.99Å; L147-S149 VanDerWaalsContact O-N 3.16Å; L147-S150 WeakPolarHBondContact O-CB 3.49Å; L147-S150 PolarHBondContact O-N 3.21Å; L147-S150 PolarHBondContact O-OG 3.45Å
148S83.8Confident94.1Very high123 Ų12365.5 Ų65.586%0.8637%0.372SS*.G310 helixtrans-56.7-32.8177.455.60000112.4L146 S150 G151L146-S148 PolarHBondContact O-N 3.19Å; S148-S150 PolarHBondContact O-N 3.2Å; S148-G151 PolarHBondContact O-N 2.79Å; S148-G151 VanDerWaalsContact O-N 3.16Å
149S89.4Confident94.2Very high104 Ų10465.3 Ų65.373%0.72737%0.37SS*.G310 helixtrans-62.9-19.517557.40000114L147 G151L147-S149 PolarHBondContact O-N 2.99Å; L147-S149 VanDerWaalsContact O-N 3.16Å; S149-G151 VanDerWaalsContact C-N 3.27Å; S149-G151 PolarHBondContact O-N 3.4Å
150S88.3Confident94.3Very high18 Ų1862.8 Ų62.813%0.12635%0.35CS..G310 helixtrans-71.1-24.8176.5780000112.5R129 Y145 L147 S148 Y152R129-S150 WeakPolarHBondContact CD-O 3.17Å; R129-S150 PolarHBondContact NH1-O 3.12Å; Y145-S150 PolarHBondContact O-OG 2.86Å; Y145-S150 VanDerWaalsContact O-OG 3.13Å; L147-S150 WeakPolarHBondContact O-CB 3.49Å; L147-S150 PolarHBondContact O-N 3.21Å; L147-S150 PolarHBondContact O-OG 3.45Å; S148-S150 PolarHBondContact O-N 3.2Å; S150-Y152 WeakPolarHBondContact O-CD2 3.3Å; S150-Y152 PolarHBondContact O-N 3.21Å; S150-Y152 PolarHBondContact OG-N 3.15Å; S150-Y152 VanDerWaalsContact OG-N 3.17Å
151G93.4Very high94.4Very high39 Ų3956.1 Ų56.140%0.40232%0.324SS..  trans67.86.1-173.100000114.7R129 S148 S149R129-G151 WeakPolarHBondContact CG-O 3.49Å; S148-G151 PolarHBondContact O-N 2.79Å; S148-G151 VanDerWaalsContact O-N 3.16Å; S149-G151 VanDerWaalsContact C-N 3.27Å; S149-G151 PolarHBondContact O-N 3.4Å
152Y96.1Very high94.4Very high28 Ų2855 Ų5511%0.1132%0.319CS..  trans-84.5142.8175.3-79.5-86.3000111.2F127 R129 V135 Y145 S150F127-Y152 HydrophobicContact CB-CD1 3.82Å; F127-Y152 HydrophobicContact CB-CG 4.27Å; R129-Y152 HydrophobicContact CB-CD1 3.47Å; R129-Y152 VanDerWaalsContact CB-CD1 3.47Å; R129-Y152 HydrophobicContact CB-CD2 4.25Å; R129-Y152 HydrophobicContact CB-CE1 3.52Å; R129-Y152 HydrophobicContact CB-CE2 4.31Å; R129-Y152 HydrophobicContact CB-CG 3.86Å; V135-Y152 HydrophobicContact CB-CE1 4.26Å; V135-Y152 HydrophobicContact CG1-CE1 3.76Å; V135-Y152 WeakPolarHBondContact CG1-OH 3.37Å; V135-Y152 HydrophobicContact CG2-CD1 3.78Å; V135-Y152 HydrophobicContact CG2-CE1 3.5Å; V135-Y152 VanDerWaalsContact CG2-CE1 3.5Å; Y145-Y152 HydrophobicContact CD1-CD1 4.26Å; Y145-Y152 AromaticContact CD1-CD2 3.61Å; Y145-Y152 HydrophobicContact CD1-CD2 3.61Å; Y145-Y152 AromaticContact CD1-CE2 3.85Å; Y145-Y152 HydrophobicContact CD1-CE2 3.85Å; Y145-Y152 AromaticContact CD1-CG 3.82Å; Y145-Y152 HydrophobicContact CD1-CG 3.82Å; Y145-Y152 HydrophobicContact CE1-CD2 4.11Å; Y145-Y152 AromaticContact CE1-CE2 3.85Å; Y145-Y152 HydrophobicContact CE1-CE2 3.85Å; S150-Y152 WeakPolarHBondContact O-CD2 3.3Å; S150-Y152 PolarHBondContact O-N 3.21Å; S150-Y152 PolarHBondContact OG-N 3.15Å; S150-Y152 VanDerWaalsContact OG-N 3.17Å
153V96.1Very high94.4Very high77 Ų7754.2 Ų54.247%0.46732%0.318SS..EExtended strand (participates in β ladder)trans-109.3127.7176.1-1790000108.3F127 W128 Q155F127-V153 CarbonylContact C-O 3.58Å; F127-V153 VanDerWaalsContact CA-O 3.31Å; F127-V153 WeakPolarHBondContact CA-O 3.32Å; W128-V153 PolarHBondContact N-O 2.7Å; W128-V153 PolarHBondContact O-N 2.9Å; V153-Q155 PolarHBondContact O-N 3.17Å
154W96.3Very high93.9Very high106 Ų10654.2 Ų54.240%0.40231%0.311SS..EExtended strand (participates in β ladder)trans-59.4131.7173.3175.4-103.4000111.9Y125 F127 M142 L146 G156Y125-W154 AromaticContact CD1-CH2 3.04Å; Y125-W154 HydrophobicContact CD1-CH2 3.04Å; Y125-W154 AromaticContact CD1-CZ2 3.88Å; Y125-W154 HydrophobicContact CD1-CZ2 3.88Å; Y125-W154 AromaticContact CD1-CZ3 3.71Å; Y125-W154 HydrophobicContact CD1-CZ3 3.71Å; Y125-W154 AromaticContact CE1-CH2 3.58Å; Y125-W154 HydrophobicContact CE1-CH2 3.58Å; Y125-W154 HydrophobicContact CE1-CZ2 4.27Å; Y125-W154 AromaticContact CG-CH2 3.64Å; Y125-W154 HydrophobicContact CG-CH2 3.64Å; Y125-W154 AromaticContact CG-CZ3 3.81Å; Y125-W154 HydrophobicContact CG-CZ3 3.81Å; F127-W154 HydrophobicContact CD1-CB 4.47Å; F127-W154 HydrophobicContact CD1-CE3 4.19Å; F127-W154 HydrophobicContact CD2-CE3 4.38Å; F127-W154 HydrophobicContact CE1-CB 4.36Å; F127-W154 AromaticContact CE1-CE3 3.56Å; F127-W154 HydrophobicContact CE1-CE3 3.56Å; F127-W154 HydrophobicContact CE1-CZ3 4.24Å; F127-W154 AromaticContact CE2-CE3 3.75Å; F127-W154 HydrophobicContact CE2-CE3 3.75Å; F127-W154 AromaticContact CE2-CZ3 3.75Å; F127-W154 HydrophobicContact CE2-CZ3 3.75Å; F127-W154 AromaticContact CZ-CE3 3.31Å; F127-W154 HydrophobicContact CZ-CE3 3.31Å; F127-W154 AromaticContact CZ-CZ3 3.52Å; F127-W154 HydrophobicContact CZ-CZ3 3.52Å; M142-W154 HydrophobicContact CG-CZ3 3.91Å; M142-W154 HydrophobicContact SD-CH2 3.68Å; M142-W154 HydrophobicContact SD-CZ3 3.58Å; M142-W154 VanDerWaalsContact SD-CZ3 3.58Å; L146-W154 HydrophobicContact CD2-CE3 4.46Å; W154-G156 VanDerWaalsContact CE2-CA 3.48Å
155Q95.6Very high93.2Very high102 Ų10254.1 Ų54.148%0.47732%0.315SS..EExtended strand (participates in β ladder)trans-115.4-7176.9-62.2-65.7-3500113E126 W128 V153E126-Q155 HydrophobicContact CB-CB 3.83Å; E126-Q155 HydrophobicContact CG-CB 3.9Å; E126-Q155 HydrophobicContact CG-CG 4.41Å; E126-Q155 PolarHBondContact O-N 3.39Å; W128-Q155 HydrophobicContact CB-CG 3.85Å; V153-Q155 PolarHBondContact O-N 3.17Å
156G95.6Very high91.8Very high16 Ų1659.9 Ų59.917%0.16534%0.341CS..EExtended strand (participates in β ladder)trans109.7-156.9179.100000113.8Y125 E126 W154Y125-G156 WeakPolarHBondContact CA-O 3.23Å; E126-G156 PolarHBondContact N-O 3.44Å; W154-G156 VanDerWaalsContact CE2-CA 3.48Å
157V96.9Very high91.6Very high69 Ų6958.1 Ų58.142%0.41833%0.333SS..EExtended strand (participates in β ladder)trans-90.2120.1173.3177.60000108P123 Y125 F159P123-V157 HydrophobicContact CB-CG1 4.03Å; P123-V157 HydrophobicContact CB-CG2 4.21Å; Y125-V157 HydrophobicContact CD1-CG2 3.78Å; Y125-V157 HydrophobicContact CE1-CG2 3.68Å; V157-F159 WeakPolarHBondContact CG1-O 3.33Å
158S97.4Very high91.6Very high18 Ų1856 Ų5613%0.12632%0.324CS..EExtended strand (participates in β ladder)trans-67.6-45.7174.2-62.20000111.3V124 E126 Q136V124-S158 PolarHBondContact O-N 3.1Å; E126-S158 VanDerWaalsContact CB-OG 3.23Å; E126-S158 WeakPolarHBondContact CB-OG 3.46Å; E126-S158 PolarHBondContact OE2-OG 3.36Å; Q136-S158 PolarHBondContact NE2-OG 3.48Å
159F98.5Very high92Very high0 Ų052.3 Ų52.30%029%0.294CS..EExtended strand (participates in β ladder)trans-170.6171.9-179.450.6-95.6000109.2L30 V73 I88 A111 V112 V124 V157 I161L30-F159 HydrophobicContact CD1-CZ 4.09Å; V73-F159 HydrophobicContact CG1-CE1 4.2Å; V73-F159 HydrophobicContact CG1-CZ 4.2Å; I88-F159 HydrophobicContact CD1-CB 3.88Å; I88-F159 HydrophobicContact CG1-CB 4.24Å; I88-F159 HydrophobicContact CG2-CB 3.84Å; I88-F159 HydrophobicContact CG2-CD1 3.96Å; I88-F159 HydrophobicContact CG2-CG 4.05Å; A111-F159 HydrophobicContact CB-CB 4.2Å; A111-F159 HydrophobicContact CB-CD2 3.76Å; A111-F159 HydrophobicContact CB-CE2 4.46Å; A111-F159 HydrophobicContact CB-CG 4.19Å; V112-F159 WeakPolarHBondContact O-CA 3.31Å; V112-F159 WeakPolarHBondContact O-CB 3.21Å; V124-F159 HydrophobicContact CB-CD2 4.13Å; V124-F159 HydrophobicContact CB-CE2 3.91Å; V124-F159 HydrophobicContact CB-CZ 4.24Å; V124-F159 HydrophobicContact CG1-CE2 4.29Å; V124-F159 HydrophobicContact CG1-CZ 4.15Å; V124-F159 HydrophobicContact CG2-CD2 4.03Å; V124-F159 HydrophobicContact CG2-CE2 3.64Å; V124-F159 HydrophobicContact CG2-CZ 4.31Å; V124-F159 PolarHBondContact N-O 3.16Å; V157-F159 WeakPolarHBondContact CG1-O 3.33Å; F159-I161 HydrophobicContact CD2-CG2 3.63Å; F159-I161 HydrophobicContact CE2-CG2 3.63Å
160A98.4Very high92.2Very high0 Ų049.2 Ų49.20%027%0.268CS..EExtended strand (participates in β ladder)trans-119.6148.4170.400000111.8V112 G114 A120 V122V112-A160 HydrophobicContact CG2-CB 4.13Å; V112-A160 WeakPolarHBondContact CG2-O 3.19Å; V112-A160 PolarHBondContact N-O 3.24Å; V112-A160 VanDerWaalsContact N-O 3.12Å; V112-A160 PolarHBondContact O-N 3.04Å; G114-A160 WeakPolarHBondContact O-CB 3.32Å; A120-A160 HydrophobicContact CB-CB 3.85Å; V122-A160 CarbonylContact O-C 3.53Å; V122-A160 WeakPolarHBondContact O-CA 3.36Å
161I97.2Very high92.4Very high0 Ų051.2 Ų51.20%028%0.277CS..EExtended strand (participates in β ladder)trans-128.7-178.6-178.167.7178.7000110.1I53 R55 W56 A111 A120 T121 V122 V124 F159I53-I161 HydrophobicContact CD1-CD1 4.12Å; I53-I161 HydrophobicContact CG1-CD1 4.05Å; R55-I161 WeakPolarHBondContact O-CB 3.39Å; W56-I161 HydrophobicContact CB-CG2 4.33Å; A111-I161 HydrophobicContact CB-CG2 4.03Å; A120-I161 CarbonylContact C-O 3.44Å; A120-I161 WeakPolarHBondContact CA-O 3.38Å; A120-I161 WeakPolarHBondContact CB-O 3.45Å; T121-I161 PolarHBondContact N-O 3.34Å; V122-I161 HydrophobicContact CB-CG1 3.76Å; V122-I161 WeakPolarHBondContact CB-O 3.41Å; V122-I161 HydrophobicContact CG1-CD1 4.27Å; V122-I161 HydrophobicContact CG1-CG1 3.78Å; V122-I161 PolarHBondContact N-O 3.12Å; V122-I161 PolarHBondContact O-N 2.78Å; V124-I161 HydrophobicContact CG2-CD1 3.88Å; V124-I161 HydrophobicContact CG2-CG1 4.1Å; V124-I161 HydrophobicContact CG2-CG2 4.37Å; F159-I161 HydrophobicContact CD2-CG2 3.63Å; F159-I161 HydrophobicContact CE2-CG2 3.63Å
162W94.9Very high92.3Very high0 Ų052 Ų520%027%0.269CS..BIsolated β-bridgetrans-97.5155.6-176.7-65.9-78.8000112.4L5 F9 L14 G54 R55 V57 L70 V112 C118 A120L5-W162 HydrophobicContact CD1-CG 4.16Å; F9-W162 HydrophobicContact CD2-CZ2 4.32Å; F9-W162 HydrophobicContact CE1-CH2 4.5Å; F9-W162 HydrophobicContact CE1-CZ2 4.36Å; F9-W162 HydrophobicContact CE2-CD2 4.17Å; F9-W162 AromaticContact CE2-CE2 3.29Å; F9-W162 HydrophobicContact CE2-CH2 4.04Å; F9-W162 AromaticContact CE2-CZ2 3.23Å; F9-W162 HydrophobicContact CE2-CZ2 3.23Å; F9-W162 AromaticContact CE2-NE1 3.45Å; F9-W162 AromaticContact CZ-CE2 3.85Å; F9-W162 AromaticContact CZ-CH2 3.73Å; F9-W162 HydrophobicContact CZ-CH2 3.73Å; F9-W162 AromaticContact CZ-CZ2 3.25Å; F9-W162 HydrophobicContact CZ-CZ2 3.25Å; L14-W162 HydrophobicContact CD1-CB 4.33Å; L14-W162 HydrophobicContact CD1-CG 4.47Å; L14-W162 HydrophobicContact CD2-CD2 4.01Å; L14-W162 HydrophobicContact CD2-CE3 3.58Å; L14-W162 HydrophobicContact CD2-CG 4.42Å; L14-W162 HydrophobicContact CD2-CZ3 4.22Å; G54-W162 CarbonylContact C-O 3.5Å; G54-W162 VanDerWaalsContact CA-O 3.26Å; G54-W162 WeakPolarHBondContact CA-O 3.46Å; R55-W162 HydrophobicContact CB-CB 4.47Å; R55-W162 PolarHBondContact N-O 3.23Å; R55-W162 PolarHBondContact O-N 2.8Å; V57-W162 HydrophobicContact CG2-CE3 4.44Å; V57-W162 HydrophobicContact CG2-CH2 4.12Å; V57-W162 HydrophobicContact CG2-CZ3 3.83Å; L70-W162 HydrophobicContact CD2-CH2 3.61Å; L70-W162 HydrophobicContact CD2-CZ2 4.41Å; L70-W162 HydrophobicContact CD2-CZ3 4.43Å; V112-W162 HydrophobicContact CG1-CH2 4.08Å; V112-W162 HydrophobicContact CG1-CZ2 4.08Å; C118-W162 HydrophobicContact CB-CZ2 4.23Å; C118-W162 PolarHBondContact O-NE1 3.1Å; A120-W162 HydrophobicContact CB-CZ2 4.31Å
163P92.7Very high92.1Very high29 Ų2953.7 Ų53.719%0.18828%0.28CS..  trans-66.9157.7-17929.3-35.9000112.3R55 V122 V165 F166R55-P163 WeakPolarHBondContact CD-O 3.43Å; V122-P163 HydrophobicContact CG2-CB 4.15Å; P163-V165 VanDerWaalsContact C-N 3.34Å; P163-V165 WeakPolarHBondContact CB-O 3.27Å; P163-F166 HydrophobicContact CG-CD1 4.14Å; P163-F166 HydrophobicContact CG-CE1 4.21Å
164E86.5Confident91.8Very high74 Ų7451.9 Ų51.935%0.34627%0.266SS..SBendtrans-67.4-36.1178.4-179.6174.4-174.200112.4K16 V52 R55K16-E164 IonicContact NZ-OE1 3.59Å; K16-E164 PolarHBondContact NZ-OE1 3.16Å; V52-E164 HydrophobicContact CG1-CB 4.2Å; V52-E164 HydrophobicContact CG1-CG 3.93Å; R55-E164 PolarHBondContact NE-O 3.33Å; R55-E164 PolarHBondContact NH2-O 3.47Å
165V76.7Confident91.4Very high114 Ų11447.4 Ų47.469%0.69126%0.255SS*.  trans-126.5143.6179.9-171.50000108.1P163P163-V165 VanDerWaalsContact C-N 3.34Å; P163-V165 WeakPolarHBondContact CB-O 3.27Å
166F66Low91Very high147 Ų14742.5 Ų42.565%0.64523%0.234SC*.  trans-99.20-179.2-55.8-64.9000112.2L5 L11 L14 P163L5-F166 HydrophobicContact CB-CD1 4.35Å; L5-F166 HydrophobicContact CB-CE1 4.49Å; L5-F166 HydrophobicContact CD1-CD1 4.28Å; L5-F166 HydrophobicContact CD1-CE1 3.93Å; L5-F166 HydrophobicContact CD2-CD1 3.77Å; L5-F166 HydrophobicContact CD2-CE1 3.12Å; L5-F166 HydrophobicContact CD2-CE2 4.21Å; L5-F166 HydrophobicContact CD2-CZ 3.38Å; L5-F166 HydrophobicContact CG-CD1 4.33Å; L5-F166 HydrophobicContact CG-CE1 4Å; L11-F166 HydrophobicContact CD2-CD2 3.93Å; L11-F166 HydrophobicContact CD2-CE2 3.55Å; L11-F166 HydrophobicContact CD2-CZ 3.97Å; L14-F166 HydrophobicContact CD1-CE1 4.33Å; L14-F166 HydrophobicContact CD1-CZ 3.76Å; P163-F166 HydrophobicContact CG-CD1 4.14Å; P163-F166 HydrophobicContact CG-CE1 4.21Å

Retrieved 166 of 166 residues in 171.5 ms (Link to these results)

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