A0A096M2Y0_POEFO Loading...

YEATS domain-containing protein 4

Chromatin reader component of the NuA4 histone acetyltransferase (HAT) complex, a complex involved in transcriptional activation of select genes principally by acetylation of nucleosomal histones H4 and H2A. Specifically recognizes and binds acylated histone H3, with a preference for histone H3 diacetylated at 'Lys-18' and 'Lys-27' (H3K18ac and H3K27ac) or histone H3 diacetylated at 'Lys-14' and 'Lys-27' (H3K14ac and H3K27ac). Also able to recognize and bind crotonylated histone H3. May also recognize and bind histone H3 succinylated at 'Lys-122' (H3K122succ); additional evidences are however required to confirm this result in vivo. Plays a key role in histone variant H2AZ1/H2A.Z deposition into specific chromatin regions: recognizes and binds H3K14ac and H3K27ac on the promoters of actively transcribed genes and recruits NuA4-related complex to deposit H2AZ1/H2A.Z. H2AZ1/H2A.Z deposition is required for maintenance of embryonic stem cell.

AlphaFold DB , UniProt , Accession A0A096M2Y0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low59.3Low248 Ų24883.1 Ų83.1100%1.22249%0.494SS*.  0113.10-66.6179.7-137.500106.9G3M1-G3 PolarHBondContact O-N 3.25Å
2T32.8Very low61.9Low138 Ų13876.2 Ų76.285%0.84745%0.452SS*.  trans-69.6105.5-176.645.60000109.2Q4T2-Q4 PolarHBondContact O-N 3.36Å
3G40.8Very low64.4Low58 Ų5870.3 Ų70.360%0.59842%0.418SS*.  trans-62.5108.5172.300000108.9M1 G5 L134M1-G3 PolarHBondContact O-N 3.25Å; G3-G5 PolarHBondContact O-N 2.81Å; G3-L134 WeakPolarHBondContact O-CD1 3.33Å
4Q46.8Very low66.6Low171 Ų17166.4 Ų66.480%0.79939%0.393SS*.  trans-60.3130.1167.7-72.4171.1-1900107.4T2 V6T2-Q4 PolarHBondContact O-N 3.36Å; Q4-V6 PolarHBondContact O-N 3.29Å
5G52.9Low68.6Low47 Ų4761.9 Ų61.949%0.48537%0.366SS..  trans-58.1121.7174.700000109.5G3G3-G5 PolarHBondContact O-N 2.81Å
6V57.3Low70.4Confident57 Ų5758.1 Ų58.135%0.34534%0.343SS..  trans-100.5112.6178.9-177.60000107.8Q4 I8 M132Q4-V6 PolarHBondContact O-N 3.29Å; V6-I8 HydrophobicContact CG1-CG1 4.03Å; V6-M132 HydrophobicContact CB-SD 4.23Å
7T63.5Low71.9Confident77 Ų7756.8 Ų56.847%0.47234%0.336SS..  trans-89.8124.5168.4-58.40000108.4V9 V129 L131T7-V9 HydrophobicContact CG2-CG2 4.2Å; T7-V129 HydrophobicContact CG2-CG1 3.88Å; T7-L131 HydrophobicContact CG2-CD2 3.98Å
8I73.3Confident73.2Confident21 Ų2153.8 Ų53.811%0.10832%0.319CS..EExtended strand (participates in β ladder)trans-107.6130.4173.1-58.7178.3000108.7V6 Q130 Q167 L170 T171V6-I8 HydrophobicContact CG1-CG1 4.03Å; I8-Q130 PolarHBondContact N-O 2.91Å; I8-Q130 PolarHBondContact O-N 3.09Å; I8-Q167 HydrophobicContact CD1-CB 4.43Å; I8-Q167 HydrophobicContact CD1-CG 3.71Å; I8-L170 HydrophobicContact CB-CD1 4.11Å; I8-L170 HydrophobicContact CD1-CB 3.95Å; I8-L170 HydrophobicContact CD1-CD1 3.92Å; I8-L170 HydrophobicContact CG2-CB 3.97Å; I8-L170 HydrophobicContact CG2-CD1 3.91Å; I8-L170 HydrophobicContact CG2-CG 4.43Å; I8-T171 HydrophobicContact CD1-CG2 4.05Å
9V80.1Confident74.3Confident60 Ų6057.3 Ų57.336%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-116.3126.4178.6-177.70000109.1T7 E127 V129T7-V9 HydrophobicContact CG2-CG2 4.2Å; V9-E127 HydrophobicContact CG1-CB 3.83Å; V9-E127 HydrophobicContact CG1-CG 3.95Å; V9-E127 WeakPolarHBondContact CG1-OE2 3.46Å; V9-V129 HydrophobicContact CG1-CG2 4.41Å; V9-V129 HydrophobicContact CG2-CG1 4.44Å; V9-V129 HydrophobicContact CG2-CG2 4.33Å
10K84Confident75.2Confident23 Ų2359.7 Ų59.710%0.133%0.33CS..EExtended strand (participates in β ladder)trans-115.6101.1174.9-69.8-60.4-168.7175.10110.4E44 Y49 M128 L170K10-E44 IonicContact NZ-OE1 3.8Å; K10-E44 IonicContact NZ-OE2 3.24Å; K10-E44 PolarHBondContact NZ-OE2 3.43Å; K10-Y49 HydrophobicContact CD-CE1 4.4Å; K10-Y49 HydrophobicContact CG-CE2 4.42Å; K10-M128 HydrophobicContact CB-CB 4.24Å; K10-M128 HydrophobicContact CB-CE 3.65Å; K10-M128 PolarHBondContact N-O 2.9Å; K10-M128 PolarHBondContact O-N 3.24Å; K10-L170 HydrophobicContact CD-CD2 4.23Å; K10-L170 WeakPolarHBondContact CE-O 3.16Å; K10-L170 HydrophobicContact CG-CD2 3.66Å; K10-L170 PolarHBondContact NZ-O 3.36Å
11P87Confident75.9Confident14 Ų1460 Ų609%0.09133%0.328CS..EExtended strand (participates in β ladder)trans-73.1132.4179.831.1-35.1000110.7Y41 Y125 E127P11-Y41 HydrophobicContact CB-CD1 4.38Å; P11-Y41 HydrophobicContact CB-CG 4.28Å; P11-Y41 HydrophobicContact CG-CD1 4.32Å; P11-Y41 WeakPolarHBondContact O-CB 3.31Å; P11-Y41 PolarHBondContact O-N 2.99Å; P11-Y125 HydrophobicContact CB-CE2 3.73Å; P11-Y125 VanDerWaalsContact CB-OH 3.28Å; P11-Y125 WeakPolarHBondContact CB-OH 3.25Å; P11-E127 HydrophobicContact CB-CG 4.37Å
12I90.7Very high78.4Confident0 Ų050.8 Ų50.80%030%0.297CS..EExtended strand (participates in β ladder)trans-129157-178.558.5168.4000110.7V38 K39 I89 L101 D126 M128I12-V38 HydrophobicContact CD1-CG1 4.44Å; I12-K39 WeakPolarHBondContact CA-O 3.3Å; I12-I89 HydrophobicContact CD1-CD1 4.03Å; I12-L101 HydrophobicContact CD1-CD1 3.86Å; I12-D126 HydrophobicContact CD1-CB 4.47Å; I12-D126 HydrophobicContact CG1-CB 4.11Å; I12-D126 WeakPolarHBondContact CG1-O 3.26Å; I12-D126 PolarHBondContact N-O 3.36Å; I12-D126 PolarHBondContact O-N 3.17Å; I12-D126 VanDerWaalsContact O-O 3.12Å; I12-M128 HydrophobicContact CD1-CG 3.96Å; I12-M128 HydrophobicContact CD1-SD 4.24Å; I12-M128 HydrophobicContact CG1-CG 4.42Å; I12-M128 HydrophobicContact CG2-CE 3.6Å; I12-M128 HydrophobicContact CG2-SD 4.35Å
13V93.9Very high81.1Confident0 Ų051.4 Ų51.40%029%0.288CS..EExtended strand (participates in β ladder)trans-120.8129168.7176.50000107.4V38 K39 Y41 E123 F124 F187V13-V38 WeakPolarHBondContact O-CA 3.33Å; V13-K39 HydrophobicContact CB-CG 3.96Å; V13-K39 PolarHBondContact N-O 3.43Å; V13-K39 PolarHBondContact O-N 3.06Å; V13-Y41 HydrophobicContact CG2-CD2 3.93Å; V13-E123 HydrophobicContact CG1-CB 3.98Å; V13-E123 HydrophobicContact CG1-CG 4.31Å; V13-F124 WeakPolarHBondContact CA-O 3.47Å; V13-F187 HydrophobicContact CB-CE2 4.39Å; V13-F187 HydrophobicContact CB-CZ 4.35Å; V13-F187 HydrophobicContact CG1-CE2 3.83Å; V13-F187 HydrophobicContact CG1-CZ 3.51Å; V13-F187 HydrophobicContact CG2-CD2 4.31Å; V13-F187 HydrophobicContact CG2-CE2 3.63Å; V13-F187 HydrophobicContact CG2-CZ 3.86Å
14F95.9Very high83.5Confident15 Ų1554.9 Ų54.97%0.06629%0.287CS..EExtended strand (participates in β ladder)trans-130.9154.917473.9-84000110.6Y37 V38 I87 L101 H103 E123 F124 D126F14-Y37 VanDerWaalsContact CA-O 3.26Å; F14-Y37 WeakPolarHBondContact CA-O 3.32Å; F14-V38 HydrophobicContact CB-CG2 4.02Å; F14-I87 HydrophobicContact CB-CD1 4.37Å; F14-I87 HydrophobicContact CD2-CD1 3.99Å; F14-L101 HydrophobicContact CB-CD1 4.18Å; F14-L101 HydrophobicContact CD1-CD1 3.73Å; F14-L101 HydrophobicContact CD2-CB 4.39Å; F14-L101 HydrophobicContact CD2-CD1 4.31Å; F14-L101 HydrophobicContact CE1-CD1 4.12Å; F14-L101 HydrophobicContact CE1-CD2 4.25Å; F14-L101 HydrophobicContact CE2-CB 4.17Å; F14-L101 HydrophobicContact CG-CD1 3.81Å; F14-L101 HydrophobicContact CZ-CB 4.24Å; F14-H103 HydrophobicContact CD2-CB 4.06Å; F14-H103 HydrophobicContact CE2-CB 3.95Å; F14-E123 CarbonylContact O-C 3.52Å; F14-E123 WeakPolarHBondContact O-CA 3.37Å; F14-F124 HydrophobicContact CD1-CB 4.31Å; F14-F124 HydrophobicContact CE1-CB 3.82Å; F14-F124 HydrophobicContact CE2-CB 4.35Å; F14-F124 HydrophobicContact CE2-CD2 4.31Å; F14-F124 HydrophobicContact CZ-CB 3.85Å; F14-F124 HydrophobicContact CZ-CD2 4.48Å; F14-F124 HydrophobicContact CZ-CG 4.41Å; F14-F124 PolarHBondContact N-O 3.46Å; F14-F124 PolarHBondContact O-N 3.45Å; F14-D126 HydrophobicContact CD1-CB 4.32Å; F14-D126 HydrophobicContact CE1-CB 3.94Å
15G95.7Very high85.6Confident0 Ų050.9 Ų50.90%026%0.264CS..EExtended strand (participates in β ladder)trans156.6-156.7179.200000112.4V36 Y37 S122G15-V36 CarbonylContact O-C 3.49Å; G15-V36 VanDerWaalsContact O-CA 3.28Å; G15-V36 WeakPolarHBondContact O-CA 3.43Å; G15-V36 WeakPolarHBondContact O-CG2 3.47Å; G15-Y37 PolarHBondContact N-O 3.08Å; G15-Y37 VanDerWaalsContact N-O 3.11Å; G15-Y37 PolarHBondContact O-N 3.1Å; G15-S122 CarbonylContact C-O 3.56Å; G15-S122 WeakPolarHBondContact CA-O 3.33Å
16N97.6Very high87.4Confident0 Ų057.3 Ų57.30%028%0.282CS..EExtended strand (participates in β ladder)trans-139.3154.1176.682.6-84.9000113.6S35 V36 H103 L105 K106 S122N16-S35 CarbonylContact C-O 3.5Å; N16-S35 WeakPolarHBondContact CA-O 3.28Å; N16-S35 WeakPolarHBondContact CB-O 3.38Å; N16-V36 HydrophobicContact CB-CB 4.36Å; N16-H103 PolarHBondContact N-NE2 2.95Å; N16-H103 PolarHBondContact OD1-NE2 3.09Å; N16-L105 HydrophobicContact CB-CD1 3.78Å; N16-L105 VanDerWaalsContact CG-CD1 3.49Å; N16-K106 PolarHBondContact ND2-O 3.47Å; N16-K106 PolarHBondContact OD1-N 2.97Å; N16-S122 PolarHBondContact N-O 3.33Å; N16-S122 PolarHBondContact O-N 2.94Å
17V95.9Very high89Confident37 Ų3763 Ų6322%0.22431%0.305CS..EExtended strand (participates in β ladder)trans-107.5148.5157.8-63.90000109.5W34 S35 Y37 T119 V120 V121V17-W34 CarbonylContact O-C 3.6Å; V17-W34 WeakPolarHBondContact O-CA 3.39Å; V17-W34 WeakPolarHBondContact O-CB 3.19Å; V17-S35 PolarHBondContact N-O 2.97Å; V17-S35 PolarHBondContact O-N 3.16Å; V17-Y37 HydrophobicContact CG1-CE1 4.03Å; V17-Y37 HydrophobicContact CG2-CE1 4.31Å; V17-T119 HydrophobicContact CB-CG2 4.39Å; V17-V120 CarbonylContact C-O 3.55Å; V17-V120 VanDerWaalsContact CA-O 3.27Å; V17-V120 WeakPolarHBondContact CA-O 3.47Å; V17-V121 HydrophobicContact CG1-CB 4.49Å; V17-V121 HydrophobicContact CG1-CG1 4.22Å; V17-V121 HydrophobicContact CG1-CG2 4Å
18A95.8Very high90.2Very high2 Ų262.1 Ų62.12%0.01730%0.297CS..EExtended strand (participates in β ladder)trans-140.6142.8175.900000110.9Q33 W34 L107 T119 V120A18-Q33 CarbonylContact C-O 3.51Å; A18-Q33 VanDerWaalsContact CA-O 3.31Å; A18-Q33 WeakPolarHBondContact CA-O 3.47Å; A18-W34 HydrophobicContact CB-CB 3.92Å; A18-L107 HydrophobicContact CB-CD2 3.67Å; A18-T119 CarbonylContact O-C 3.5Å; A18-T119 VanDerWaalsContact O-CA 3.25Å; A18-T119 WeakPolarHBondContact O-CA 3.45Å; A18-T119 WeakPolarHBondContact O-CG2 3.38Å; A18-V120 HydrophobicContact CB-CB 4.35Å; A18-V120 PolarHBondContact N-O 3.36Å; A18-V120 PolarHBondContact O-N 3.07Å
19R93.8Very high91.1Very high121 Ų12161.7 Ų61.746%0.45730%0.298SS..EExtended strand (participates in β ladder)trans-128.2124.1178.9176.3179.8158.8143.6-9.8109.4H32 Q33R19-H32 WeakPolarHBondContact O-CA 3.47Å; R19-Q33 PolarHBondContact N-O 3.07Å; R19-Q33 PolarHBondContact O-N 2.97Å
20Y92Very high91.8Very high105 Ų10560.6 Ų60.641%0.41229%0.289SS..EExtended strand (participates in β ladder)trans-71.2136.8173.3-177.5-127.9000110.7G22 T31 H32Y20-G22 VanDerWaalsContact CD1-N 3.29Å; Y20-G22 VanDerWaalsContact CE1-C 3.43Å; Y20-G22 VanDerWaalsContact CZ-C 3.49Å; Y20-G22 PolarHBondContact O-N 3.42Å; Y20-G22 PolarHBondContact OH-O 3.39Å; Y20-T31 WeakPolarHBondContact CD2-O 3.13Å; Y20-T31 HydrophobicContact CE2-CG2 4.5Å; Y20-H32 AromaticContact CD2-CE1 3.65Å; Y20-H32 AromaticContact CD2-NE2 3.59Å; Y20-H32 AromaticContact CG-NE2 3.98Å
21F90.3Very high92.3Very high65 Ų6560.6 Ų60.629%0.28529%0.291SS..  trans-72-15.6177.7-66.7-39.2000113.6K23 R25 H30 T31 Q33 T78F21-K23 WeakPolarHBondContact CB-O 3.49Å; F21-K23 PolarHBondContact O-N 3.39Å; F21-R25 VanDerWaalsContact CZ-NH2 3.3Å; F21-H30 HydrophobicContact CE2-CB 4.36Å; F21-T31 VanDerWaalsContact CD2-C 3.43Å; F21-T31 VanDerWaalsContact CD2-O 3.3Å; F21-T31 WeakPolarHBondContact CD2-O 3.36Å; F21-T31 WeakPolarHBondContact CG-O 3.45Å; F21-T31 PolarHBondContact N-O 3.41Å; F21-Q33 HydrophobicContact CE1-CB 3.59Å; F21-Q33 HydrophobicContact CZ-CB 3.77Å; F21-T78 HydrophobicContact CE2-CG2 4.42Å; F21-T78 HydrophobicContact CZ-CG2 3.75Å
22G86.6Confident92.7Very high55 Ų5560.4 Ų60.457%0.56729%0.288SS*.SBendtrans89.2-24.2-171.200000112.8Y20Y20-G22 VanDerWaalsContact CD1-N 3.29Å; Y20-G22 VanDerWaalsContact CE1-C 3.43Å; Y20-G22 VanDerWaalsContact CZ-C 3.49Å; Y20-G22 PolarHBondContact O-N 3.42Å; Y20-G22 PolarHBondContact OH-O 3.39Å
23K89.1Confident92.9Very high151 Ų15164.3 Ų64.366%0.65731%0.307SS*.SBendtrans-145.7156.8175.963.6178.2-177.7174.50111F21F21-K23 WeakPolarHBondContact CB-O 3.49Å; F21-K23 PolarHBondContact O-N 3.39Å
24K91.6Very high93.1Very high132 Ų13264.3 Ų64.357%0.57431%0.307SS*.  trans-65.7133.1166.2-172176.2177.7-178.10108.9G29 T31K24-G29 WeakPolarHBondContact CE-O 2.97Å; K24-G29 WeakPolarHBondContact CG-O 3.49Å; K24-T31 HydrophobicContact CB-CG2 4.26Å; K24-T31 HydrophobicContact CG-CG2 4.25Å
25R90.8Very high93.2Very high87 Ų8764.6 Ų64.633%0.32831%0.311SS..  trans-72.9134.9173-172.9-177.2-57.8163.1-7.9109.1F21 E27 D28 G29 H30F21-R25 VanDerWaalsContact CZ-NH2 3.3Å; R25-E27 HydrophobicContact CG-CB 4.48Å; R25-E27 PolarHBondContact O-N 3.22Å; R25-D28 WeakPolarHBondContact CB-OD1 3.29Å; R25-D28 VanDerWaalsContact CD-OD1 3.31Å; R25-D28 WeakPolarHBondContact CD-OD1 3.37Å; R25-D28 IonicContact CZ-OD2 2.66Å; R25-D28 IonicContact NE-OD2 3.23Å; R25-D28 IonicContact NH1-OD2 2.74Å; R25-D28 PolarHBondContact NH1-OD2 3.28Å; R25-G29 WeakPolarHBondContact O-CA 3.44Å; R25-G29 PolarHBondContact O-N 2.89Å; R25-H30 WeakPolarHBondContact CB-O 3.34Å; R25-H30 PolarHBondContact N-O 3.23Å
26E89.9Confident93.3Very high181 Ų18164.6 Ų64.685%0.84631%0.311SS*.THydrogen-bonded Turntrans-69.5-31-175.1-62-63.7156.100113.1
27E90.8Very high93.3Very high178 Ų17865.4 Ų65.483%0.83231%0.314SS*.THydrogen-bonded Turntrans-74.1-50.6-173.5-175.6179.5-173.800113.7R25R25-E27 HydrophobicContact CG-CB 4.48Å; R25-E27 PolarHBondContact O-N 3.22Å
28D89.7Confident93.3Very high57 Ų5763.8 Ų63.831%0.30530%0.304SS..THydrogen-bonded Turntrans-117.8-6.4-172.15715.5000112.7R25 H30R25-D28 WeakPolarHBondContact CB-OD1 3.29Å; R25-D28 VanDerWaalsContact CD-OD1 3.31Å; R25-D28 WeakPolarHBondContact CD-OD1 3.37Å; R25-D28 IonicContact CZ-OD2 2.66Å; R25-D28 IonicContact NE-OD2 3.23Å; R25-D28 IonicContact NH1-OD2 2.74Å; R25-D28 PolarHBondContact NH1-OD2 3.28Å; D28-H30 PolarHBondContact O-CD2 3.22Å; D28-H30 PolarHBondContact O-N 2.99Å; D28-H30 VanDerWaalsContact OD1-CB 3.24Å; D28-H30 WeakPolarHBondContact OD1-CB 3.36Å; D28-H30 IonicContact OD1-CD2 3.3Å; D28-H30 IonicContact OD1-CG 3.72Å; D28-H30 PolarHBondContact OD1-N 3.07Å; D28-H30 IonicContact OD2-CE1 2.73Å; D28-H30 IonicContact OD2-CG 2.73Å; D28-H30 IonicContact OD2-ND1 3.85Å; D28-H30 PolarHBondContact OD2-ND1 3.38Å
29G91.9Very high93.2Very high13 Ų1364.8 Ų64.813%0.13431%0.308CS..  trans71.210.8-17500000114.9K24 R25K24-G29 WeakPolarHBondContact CE-O 2.97Å; K24-G29 WeakPolarHBondContact CG-O 3.49Å; R25-G29 WeakPolarHBondContact O-CA 3.44Å; R25-G29 PolarHBondContact O-N 2.89Å
30H94.9Very high93Very high36 Ų3659.3 Ų59.317%0.16729%0.288CS..  trans-70144.2-179.3-68.4-175.1000111.3F21 R25 D28 T78 W80F21-H30 HydrophobicContact CE2-CB 4.36Å; R25-H30 WeakPolarHBondContact CB-O 3.34Å; R25-H30 PolarHBondContact N-O 3.23Å; D28-H30 PolarHBondContact O-CD2 3.22Å; D28-H30 PolarHBondContact O-N 2.99Å; D28-H30 VanDerWaalsContact OD1-CB 3.24Å; D28-H30 WeakPolarHBondContact OD1-CB 3.36Å; D28-H30 IonicContact OD1-CD2 3.3Å; D28-H30 IonicContact OD1-CG 3.72Å; D28-H30 PolarHBondContact OD1-N 3.07Å; D28-H30 IonicContact OD2-CE1 2.73Å; D28-H30 IonicContact OD2-CG 2.73Å; D28-H30 IonicContact OD2-ND1 3.85Å; D28-H30 PolarHBondContact OD2-ND1 3.38Å; H30-T78 PolarHBondContact CE1-O 3.18Å; H30-T78 VanDerWaalsContact ND1-C 3.3Å; H30-T78 WeakPolarHBondContact ND1-CB 3.37Å; H30-T78 PolarHBondContact ND1-O 3.38Å; H30-T78 PolarHBondContact ND1-OG1 2.75Å; H30-W80 AromaticContact CD2-CD1 3.86Å
31T93.8Very high92.7Very high24 Ų2458.1 Ų58.115%0.14728%0.283CS..  trans-116.4-26.6-175.252.10000112.4Y20 F21 K24 G79 W80Y20-T31 WeakPolarHBondContact CD2-O 3.13Å; Y20-T31 HydrophobicContact CE2-CG2 4.5Å; F21-T31 VanDerWaalsContact CD2-C 3.43Å; F21-T31 VanDerWaalsContact CD2-O 3.3Å; F21-T31 WeakPolarHBondContact CD2-O 3.36Å; F21-T31 WeakPolarHBondContact CG-O 3.45Å; F21-T31 PolarHBondContact N-O 3.41Å; K24-T31 HydrophobicContact CB-CG2 4.26Å; K24-T31 HydrophobicContact CG-CG2 4.25Å; T31-G79 PolarHBondContact N-O 3.18Å; T31-G79 VanDerWaalsContact N-O 3.09Å; T31-G79 PolarHBondContact OG1-O 2.83Å; T31-W80 HydrophobicContact CG2-CB 4.46Å; T31-W80 WeakPolarHBondContact OG1-CA 3.38Å
32H95.3Very high92.4Very high9 Ų963.6 Ų63.64%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-127.1148.4-176.1-62.777.4000111.3R19 Y20 T78 G79 L107 F108R19-H32 WeakPolarHBondContact O-CA 3.47Å; Y20-H32 AromaticContact CD2-CE1 3.65Å; Y20-H32 AromaticContact CD2-NE2 3.59Å; Y20-H32 AromaticContact CG-NE2 3.98Å; H32-T78 CarbonylContact O-C 3.54Å; H32-T78 WeakPolarHBondContact O-CA 3.4Å; H32-T78 WeakPolarHBondContact O-CB 3.16Å; H32-G79 PolarHBondContact N-O 3.45Å; H32-G79 PolarHBondContact O-N 3.4Å; H32-L107 HydrophobicContact CB-CD1 4.29Å; H32-L107 HydrophobicContact CB-CD2 3.97Å; H32-L107 PolarHBondContact NE2-O 3.37Å; H32-F108 AromaticContact CE1-CE1 3.67Å
33Q96.4Very high92.1Very high82 Ų8263 Ų6338%0.38329%0.286SS..EExtended strand (participates in β ladder)trans-98.3137.9153.9177.9177.233.300107.8A18 R19 F21 T76 E77 T78A18-Q33 CarbonylContact C-O 3.51Å; A18-Q33 VanDerWaalsContact CA-O 3.31Å; A18-Q33 WeakPolarHBondContact CA-O 3.47Å; R19-Q33 PolarHBondContact N-O 3.07Å; R19-Q33 PolarHBondContact O-N 2.97Å; F21-Q33 HydrophobicContact CE1-CB 3.59Å; F21-Q33 HydrophobicContact CZ-CB 3.77Å; Q33-T76 HydrophobicContact CG-CG2 3.9Å; Q33-E77 CarbonylContact C-O 3.56Å; Q33-E77 WeakPolarHBondContact CA-O 3.39Å; Q33-T78 HydrophobicContact CB-CG2 4.21Å; Q33-T78 HydrophobicContact CG-CG2 4.39Å
34W97.4Very high91.8Very high1 Ų157 Ų570%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-138.6149.2179.453.6-94.2000110.7V17 A18 V36 L57 Y61 T76 E77 F83 I85 L105 L107V17-W34 CarbonylContact O-C 3.6Å; V17-W34 WeakPolarHBondContact O-CA 3.39Å; V17-W34 WeakPolarHBondContact O-CB 3.19Å; A18-W34 HydrophobicContact CB-CB 3.92Å; W34-V36 HydrophobicContact CE3-CB 4.5Å; W34-V36 HydrophobicContact CZ3-CB 4.28Å; W34-V36 HydrophobicContact CZ3-CG1 3.94Å; W34-L57 HydrophobicContact CH2-CD1 4.07Å; W34-L57 HydrophobicContact CH2-CD2 3.78Å; W34-L57 HydrophobicContact CZ3-CD2 4.3Å; W34-Y61 AromaticContact CZ2-CE1 3.95Å; W34-Y61 HydrophobicContact CZ2-CE1 3.95Å; W34-Y61 HydrophobicContact CZ2-CE2 4.45Å; W34-Y61 AromaticContact CZ2-CZ 3.74Å; W34-T76 CarbonylContact O-C 3.49Å; W34-T76 WeakPolarHBondContact O-CA 3.28Å; W34-E77 HydrophobicContact CD2-CB 4.08Å; W34-E77 HydrophobicContact CE3-CB 4.24Å; W34-E77 HydrophobicContact CH2-CB 3.45Å; W34-E77 VanDerWaalsContact CH2-CB 3.45Å; W34-E77 HydrophobicContact CH2-CG 4Å; W34-E77 HydrophobicContact CZ2-CB 3.24Å; W34-E77 HydrophobicContact CZ2-CG 4.1Å; W34-E77 HydrophobicContact CZ3-CB 3.95Å; W34-E77 PolarHBondContact N-O 3.16Å; W34-E77 PolarHBondContact O-N 3.2Å; W34-F83 HydrophobicContact CH2-CZ 4.04Å; W34-F83 HydrophobicContact CZ2-CE1 4.23Å; W34-F83 AromaticContact CZ2-CZ 3.87Å; W34-F83 HydrophobicContact CZ2-CZ 3.87Å; W34-I85 HydrophobicContact CH2-CD1 4.32Å; W34-I85 HydrophobicContact CZ3-CD1 3.96Å; W34-L105 HydrophobicContact CB-CD1 4.07Å; W34-L105 HydrophobicContact CD2-CD1 3.77Å; W34-L105 HydrophobicContact CD2-CD2 3.75Å; W34-L105 HydrophobicContact CD2-CG 4.43Å; W34-L105 HydrophobicContact CE3-CD1 3.69Å; W34-L105 HydrophobicContact CE3-CD2 4.25Å; W34-L105 HydrophobicContact CG-CD1 3.96Å; W34-L105 HydrophobicContact CG-CD2 4Å; W34-L105 HydrophobicContact CZ2-CD2 4.13Å; W34-L105 HydrophobicContact CZ3-CD1 4.38Å; W34-L107 HydrophobicContact CB-CD2 3.9Å; W34-L107 HydrophobicContact CG-CD2 4.04Å
35S97.9Very high91.6Very high21 Ų2152.6 Ų52.615%0.14724%0.243CC..EExtended strand (participates in β ladder)trans-128.1117.5177.1-54.80000108.7N16 V17 I75 T76N16-S35 CarbonylContact C-O 3.5Å; N16-S35 WeakPolarHBondContact CA-O 3.28Å; N16-S35 WeakPolarHBondContact CB-O 3.38Å; V17-S35 PolarHBondContact N-O 2.97Å; V17-S35 PolarHBondContact O-N 3.16Å; S35-I75 CarbonylContact C-O 3.54Å; S35-I75 VanDerWaalsContact CA-O 3.25Å; S35-I75 WeakPolarHBondContact CA-O 3.38Å; S35-T76 PolarHBondContact OG-OG1 3.38Å
36V98.1Very high91.5Very high0 Ų048.6 Ų48.60%023%0.228CC..EExtended strand (participates in β ladder)trans-96.9140.8173.166.40000109.1G15 N16 W34 F55 E74 I75 I85 I87G15-V36 CarbonylContact O-C 3.49Å; G15-V36 VanDerWaalsContact O-CA 3.28Å; G15-V36 WeakPolarHBondContact O-CA 3.43Å; G15-V36 WeakPolarHBondContact O-CG2 3.47Å; N16-V36 HydrophobicContact CB-CB 4.36Å; W34-V36 HydrophobicContact CE3-CB 4.5Å; W34-V36 HydrophobicContact CZ3-CB 4.28Å; W34-V36 HydrophobicContact CZ3-CG1 3.94Å; V36-F55 HydrophobicContact CG1-CD1 3.75Å; V36-F55 HydrophobicContact CG1-CE1 4.12Å; V36-F55 HydrophobicContact CG1-CG 4.42Å; V36-F55 HydrophobicContact CG2-CD1 4.22Å; V36-F55 HydrophobicContact CG2-CE1 4.25Å; V36-E74 CarbonylContact O-C 3.46Å; V36-E74 WeakPolarHBondContact O-CA 3.49Å; V36-E74 WeakPolarHBondContact O-CB 3.31Å; V36-I75 HydrophobicContact CG1-CB 4Å; V36-I75 PolarHBondContact N-O 3.27Å; V36-I75 PolarHBondContact O-N 3.33Å; V36-I85 HydrophobicContact CB-CD1 3.99Å; V36-I85 HydrophobicContact CG1-CD1 4.14Å; V36-I85 HydrophobicContact CG2-CD1 3.96Å; V36-I85 HydrophobicContact CG2-CG2 4.34Å; V36-I87 HydrophobicContact CG2-CD1 4.18Å
37Y97.5Very high91.6Very high17 Ų1741.9 Ų41.97%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-151.5162.2-174.651.9-95.2000113.9F14 G15 V17 K39 Y73 E123F14-Y37 VanDerWaalsContact CA-O 3.26Å; F14-Y37 WeakPolarHBondContact CA-O 3.32Å; G15-Y37 PolarHBondContact N-O 3.08Å; G15-Y37 VanDerWaalsContact N-O 3.11Å; G15-Y37 PolarHBondContact O-N 3.1Å; V17-Y37 HydrophobicContact CG1-CE1 4.03Å; V17-Y37 HydrophobicContact CG2-CE1 4.31Å; Y37-K39 HydrophobicContact CD2-CD 4.27Å; Y37-K39 HydrophobicContact CD2-CG 4.41Å; Y37-K39 HydrophobicContact CE2-CD 4.21Å; Y37-Y73 VanDerWaalsContact CA-O 3.26Å; Y37-Y73 WeakPolarHBondContact CA-O 3.35Å; Y37-E123 HydrophobicContact CE2-CG 4.16Å; Y37-E123 VanDerWaalsContact CE2-OE1 3.23Å; Y37-E123 WeakPolarHBondContact CE2-OE1 3.4Å; Y37-E123 VanDerWaalsContact CZ-OE1 3.29Å; Y37-E123 WeakPolarHBondContact OH-CG 3.32Å; Y37-E123 PolarHBondContact OH-OE1 3.14Å
38V96.3Very high91.5Very high3 Ų334.7 Ų34.72%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-125.5131.7162.9-178.40000107.6I12 V13 F14 M46 I53 F55 Y73 I87 I89I12-V38 HydrophobicContact CD1-CG1 4.44Å; V13-V38 WeakPolarHBondContact O-CA 3.33Å; F14-V38 HydrophobicContact CB-CG2 4.02Å; V38-M46 HydrophobicContact CG1-CE 4.11Å; V38-M46 HydrophobicContact CG1-SD 4.49Å; V38-I53 HydrophobicContact CB-CD1 3.84Å; V38-I53 HydrophobicContact CG1-CD1 4.05Å; V38-I53 HydrophobicContact CG2-CD1 4.22Å; V38-I53 HydrophobicContact CG2-CG2 4.36Å; V38-F55 HydrophobicContact CG2-CE1 4.33Å; V38-F55 HydrophobicContact CG2-CZ 4.34Å; V38-Y73 PolarHBondContact N-O 2.97Å; V38-I87 HydrophobicContact CG2-CD1 4.29Å; V38-I87 HydrophobicContact CG2-CG2 3.6Å; V38-I89 HydrophobicContact CG1-CD1 4.1Å
39K93Very high91.4Very high22 Ų2232 Ų3210%0.09616%0.158CC..EExtended strand (participates in β ladder)trans-137.4150.7175.762.9-172.8174.5-167.80110I12 V13 Y37 E123 H183I12-K39 WeakPolarHBondContact CA-O 3.3Å; V13-K39 HydrophobicContact CB-CG 3.96Å; V13-K39 PolarHBondContact N-O 3.43Å; V13-K39 PolarHBondContact O-N 3.06Å; Y37-K39 HydrophobicContact CD2-CD 4.27Å; Y37-K39 HydrophobicContact CD2-CG 4.41Å; Y37-K39 HydrophobicContact CE2-CD 4.21Å; K39-E123 WeakPolarHBondContact CE-OE1 3.44Å; K39-E123 IonicContact NZ-OE1 3.74Å; K39-E123 PolarHBondContact NZ-OE1 2.97Å; K39-H183 WeakPolarHBondContact CE-ND1 3.27Å
40P90.4Very high91.5Very high7 Ų731.5 Ų31.55%0.04515%0.152CC..EExtended strand (participates in β ladder)trans-69.1145.7173.331.7-32.6000109.1R42 E44 M46P40-R42 VanDerWaalsContact C-N 3.28Å; P40-R42 WeakPolarHBondContact CB-O 3.44Å; P40-R42 VanDerWaalsContact CG-O 3.23Å; P40-R42 WeakPolarHBondContact CG-O 3.28Å; P40-R42 PolarHBondContact O-N 3.04Å; P40-E44 HydrophobicContact CB-CG 3.66Å; P40-E44 HydrophobicContact CG-CG 4.06Å; P40-E44 WeakPolarHBondContact CG-O 3.46Å; P40-M46 HydrophobicContact CB-CG 3.78Å; P40-M46 HydrophobicContact CB-SD 3.95Å; P40-M46 WeakPolarHBondContact CD-SD 3.37Å; P40-M46 HydrophobicContact CG-CG 3.85Å; P40-M46 HydrophobicContact CG-SD 4.11Å
41Y85.1Confident91.5Very high79 Ų7935.6 Ų35.631%0.3117%0.17SC..SBendtrans-66.2-36.2177.1178.2-101.7000111.2P11 V13 Y125 H183 F187P11-Y41 HydrophobicContact CB-CD1 4.38Å; P11-Y41 HydrophobicContact CB-CG 4.28Å; P11-Y41 HydrophobicContact CG-CD1 4.32Å; P11-Y41 WeakPolarHBondContact O-CB 3.31Å; P11-Y41 PolarHBondContact O-N 2.99Å; V13-Y41 HydrophobicContact CG2-CD2 3.93Å; Y41-Y125 HydrophobicContact CD1-CE2 4.35Å; Y41-Y125 AromaticContact CD2-CD2 3.82Å; Y41-Y125 HydrophobicContact CD2-CD2 3.82Å; Y41-Y125 AromaticContact CD2-CE2 3.79Å; Y41-Y125 HydrophobicContact CD2-CE2 3.79Å; Y41-Y125 HydrophobicContact CE2-CD2 4.25Å; Y41-Y125 HydrophobicContact CE2-CE2 4.24Å; Y41-Y125 HydrophobicContact CG-CD2 4.31Å; Y41-Y125 AromaticContact CG-CE2 3.85Å; Y41-Y125 HydrophobicContact CG-CE2 3.85Å; Y41-H183 AromaticContact CD2-NE2 3.86Å; Y41-H183 PolarHBondContact O-CE1 2.64Å; Y41-H183 PolarHBondContact O-NE2 2.92Å; Y41-F187 HydrophobicContact CE2-CB 4.25Å; Y41-F187 HydrophobicContact CE2-CD2 4.17Å; Y41-F187 HydrophobicContact CE2-CG 4.44Å
42R83.6Confident91.6Very high181 Ų18137.3 Ų37.368%0.68318%0.175SC*.SBendtrans-98.6151.6171.9-60.3-176.1-177.8176.62.2109.5P40 E44P40-R42 VanDerWaalsContact C-N 3.28Å; P40-R42 WeakPolarHBondContact CB-O 3.44Å; P40-R42 VanDerWaalsContact CG-O 3.23Å; P40-R42 WeakPolarHBondContact CG-O 3.28Å; P40-R42 PolarHBondContact O-N 3.04Å; R42-E44 VanDerWaalsContact C-N 3.32Å; R42-E44 PolarHBondContact O-N 3.36Å
43N79.9Confident91.7Very high43 Ų4336.9 Ų36.923%0.2317%0.173CC..SBendtrans-70.285.4178.3-167.940.1000111.2L176 Y181N43-L176 PolarHBondContact ND2-O 2.66Å; N43-L176 VanDerWaalsContact ND2-O 3.13Å; N43-Y181 VanDerWaalsContact OD1-CD2 3.29Å; N43-Y181 WeakPolarHBondContact OD1-CD2 3.44Å
44E84Confident91.8Very high25 Ų2534.4 Ų34.412%0.11716%0.161CC..  trans-129.5156177.871.6-177.3157.700111.3K10 P40 R42 M46 Y49 L176K10-E44 IonicContact NZ-OE1 3.8Å; K10-E44 IonicContact NZ-OE2 3.24Å; K10-E44 PolarHBondContact NZ-OE2 3.43Å; P40-E44 HydrophobicContact CB-CG 3.66Å; P40-E44 HydrophobicContact CG-CG 4.06Å; P40-E44 WeakPolarHBondContact CG-O 3.46Å; R42-E44 VanDerWaalsContact C-N 3.32Å; R42-E44 PolarHBondContact O-N 3.36Å; E44-M46 PolarHBondContact O-N 3.02Å; E44-Y49 PolarHBondContact OE1-OH 3.03Å; E44-L176 WeakPolarHBondContact O-CD1 3.39Å
45D86.8Confident91.9Very high39 Ų3934.3 Ų34.321%0.20916%0.161CC..  trans-81.4101.4172.6-169.7-3.7000110.5S47 A48 S173 R174 L176D45-S47 PolarHBondContact O-N 3.4Å; D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3Å; D45-S47 PolarHBondContact OD1-OG 3.37Å; D45-S47 PolarHBondContact OD2-OG 3.19Å; D45-S47 VanDerWaalsContact OD2-OG 3.05Å; D45-A48 WeakPolarHBondContact O-CB 3.21Å; D45-A48 PolarHBondContact O-N 2.97Å; D45-S173 PolarHBondContact O-OG 3.09Å; D45-R174 PolarHBondContact N-O 2.96Å; D45-L176 HydrophobicContact CB-CD1 4.48Å; D45-L176 HydrophobicContact CB-CD2 3.84Å; D45-L176 HydrophobicContact CB-CG 3.96Å
46M89.5Confident91.9Very high2 Ų237.8 Ų37.81%0.0117%0.173CC..G310 helixtrans-62.9-24.3174.9-72.6-173.551.300112.7V38 P40 E44 A48 Y49 V50 I53 Y73V38-M46 HydrophobicContact CG1-CE 4.11Å; V38-M46 HydrophobicContact CG1-SD 4.49Å; P40-M46 HydrophobicContact CB-CG 3.78Å; P40-M46 HydrophobicContact CB-SD 3.95Å; P40-M46 WeakPolarHBondContact CD-SD 3.37Å; P40-M46 HydrophobicContact CG-CG 3.85Å; P40-M46 HydrophobicContact CG-SD 4.11Å; E44-M46 PolarHBondContact O-N 3.02Å; M46-A48 PolarHBondContact O-N 3.27Å; M46-A48 VanDerWaalsContact O-N 3.09Å; M46-Y49 HydrophobicContact CB-CE2 4.46Å; M46-Y49 HydrophobicContact CG-CE2 4.43Å; M46-Y49 WeakPolarHBondContact CG-OH 3.49Å; M46-Y49 PolarHBondContact O-N 3Å; M46-V50 HydrophobicContact CB-CG2 4.26Å; M46-V50 HydrophobicContact CE-CG2 3.69Å; M46-V50 VanDerWaalsContact O-CB 3.31Å; M46-V50 WeakPolarHBondContact O-CB 3.23Å; M46-V50 PolarHBondContact O-N 3.31Å; M46-I53 HydrophobicContact CE-CD1 4.12Å; M46-Y73 HydrophobicContact CB-CE2 3.81Å
47S91.3Very high91.9Very high40 Ų4038 Ų3828%0.2817%0.174SC..G310 helixtrans-65.4-14.3179.8770000113D45 Y49 Y73 I92D45-S47 PolarHBondContact O-N 3.4Å; D45-S47 VanDerWaalsContact OD1-CB 3.23Å; D45-S47 WeakPolarHBondContact OD1-CB 3.39Å; D45-S47 PolarHBondContact OD1-N 3Å; D45-S47 PolarHBondContact OD1-OG 3.37Å; D45-S47 PolarHBondContact OD2-OG 3.19Å; D45-S47 VanDerWaalsContact OD2-OG 3.05Å; S47-Y49 PolarHBondContact O-N 3.19Å; S47-Y73 VanDerWaalsContact CA-OH 3.3Å; S47-Y73 WeakPolarHBondContact CA-OH 3.26Å; S47-Y73 WeakPolarHBondContact CB-OH 3.27Å; S47-Y73 PolarHBondContact N-OH 2.96Å; S47-I92 WeakPolarHBondContact O-CD1 3.43Å
48A89Confident91.8Very high27 Ų2741.9 Ų41.922%0.22319%0.193CC..G310 helixtrans-63.3-29172.100000113D45 M46 I92 L169D45-A48 WeakPolarHBondContact O-CB 3.21Å; D45-A48 PolarHBondContact O-N 2.97Å; M46-A48 PolarHBondContact O-N 3.27Å; M46-A48 VanDerWaalsContact O-N 3.09Å; A48-I92 WeakPolarHBondContact O-CD1 3.35Å; A48-L169 WeakPolarHBondContact O-CB 3.34Å; A48-L169 WeakPolarHBondContact O-CD2 3.23Å
49Y88.3Confident91.8Very high0 Ų049.3 Ų49.30%023%0.228CC..THydrogen-bonded Turntrans-130.2-16.5-177.754.6-95.2000113.7K10 E44 M46 S47 F91 I92 M128 L170K10-Y49 HydrophobicContact CD-CE1 4.4Å; K10-Y49 HydrophobicContact CG-CE2 4.42Å; E44-Y49 PolarHBondContact OE1-OH 3.03Å; M46-Y49 HydrophobicContact CB-CE2 4.46Å; M46-Y49 HydrophobicContact CG-CE2 4.43Å; M46-Y49 WeakPolarHBondContact CG-OH 3.49Å; M46-Y49 PolarHBondContact O-N 3Å; S47-Y49 PolarHBondContact O-N 3.19Å; Y49-F91 HydrophobicContact CD2-CD1 4.41Å; Y49-F91 HydrophobicContact CD2-CE1 4.42Å; Y49-F91 VanDerWaalsContact O-CA 3.3Å; Y49-F91 WeakPolarHBondContact O-CA 3.46Å; Y49-I92 PolarHBondContact O-N 2.97Å; Y49-M128 HydrophobicContact CE2-CE 3.83Å; Y49-L170 HydrophobicContact CD1-CD2 3.96Å; Y49-L170 HydrophobicContact CD2-CD2 3.87Å; Y49-L170 HydrophobicContact CE1-CD2 4.47Å; Y49-L170 HydrophobicContact CE2-CD2 4.39Å; Y49-L170 HydrophobicContact CG-CD2 3.62Å
50V92.8Very high91.8Very high3 Ų352.5 Ų52.52%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-96.6122.7175.5177.20000110.6M46 I53 Y73 I89M46-V50 HydrophobicContact CB-CG2 4.26Å; M46-V50 HydrophobicContact CE-CG2 3.69Å; M46-V50 VanDerWaalsContact O-CB 3.31Å; M46-V50 WeakPolarHBondContact O-CB 3.23Å; M46-V50 PolarHBondContact O-N 3.31Å; V50-I53 HydrophobicContact CG1-CD1 4.3Å; V50-I53 HydrophobicContact CG1-CG1 3.76Å; V50-Y73 HydrophobicContact CG1-CE1 4.36Å; V50-I89 HydrophobicContact CB-CG2 4.49Å; V50-I89 HydrophobicContact CG1-CG2 3.88Å; V50-I89 HydrophobicContact CG2-CG2 3.79Å
51K94.3Very high92.1Very high123 Ų12353.5 Ų53.554%0.53526%0.256SS..EExtended strand (participates in β ladder)trans-77.4-45.8174.6-179.5173.7-177.81710112.3F90 F91 I92K51-F90 WeakPolarHBondContact CB-O 3.3Å; K51-F90 PolarHBondContact N-O 3.45Å; K51-F91 VanDerWaalsContact CB-O 3.23Å; K51-F91 WeakPolarHBondContact CB-O 3.31Å; K51-I92 HydrophobicContact CB-CG1 4.1Å
52K97.1Very high92.5Very high59 Ų5955.9 Ų55.926%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-163.7153.9179.862.5178.4-178.7175.40111V67 V68 T69 F90K52-V67 HydrophobicContact CB-CG1 4.01Å; K52-V67 HydrophobicContact CD-CG1 3.84Å; K52-V67 HydrophobicContact CG-CG1 4.4Å; K52-V68 CarbonylContact C-O 3.52Å; K52-V68 WeakPolarHBondContact CA-O 3.39Å; K52-T69 HydrophobicContact CB-CG2 4.04Å; K52-F90 HydrophobicContact CD-CD2 4.38Å; K52-F90 HydrophobicContact CG-CB 3.75Å; K52-F90 HydrophobicContact CG-CD2 3.87Å; K52-F90 HydrophobicContact CG-CG 3.99Å; K52-F90 PolarHBondContact N-O 2.6Å; K52-F90 PolarHBondContact O-N 3.17Å
53I98.1Very high93Very high0 Ų052.2 Ų52.20%027%0.272CS..EExtended strand (participates in β ladder)trans-115.5130168.1-56.1-168.6000108.2V38 M46 V50 F55 V67 V68 Y73 I87 K88 I89V38-I53 HydrophobicContact CB-CD1 3.84Å; V38-I53 HydrophobicContact CG1-CD1 4.05Å; V38-I53 HydrophobicContact CG2-CD1 4.22Å; V38-I53 HydrophobicContact CG2-CG2 4.36Å; M46-I53 HydrophobicContact CE-CD1 4.12Å; V50-I53 HydrophobicContact CG1-CD1 4.3Å; V50-I53 HydrophobicContact CG1-CG1 3.76Å; I53-F55 HydrophobicContact CB-CE2 4.11Å; I53-F55 HydrophobicContact CB-CZ 4.47Å; I53-F55 HydrophobicContact CG2-CD2 4.2Å; I53-F55 HydrophobicContact CG2-CE1 4.3Å; I53-F55 HydrophobicContact CG2-CE2 3.57Å; I53-F55 HydrophobicContact CG2-CZ 3.63Å; I53-V67 WeakPolarHBondContact O-CA 3.35Å; I53-V68 PolarHBondContact N-O 2.9Å; I53-V68 PolarHBondContact O-N 3.29Å; I53-Y73 HydrophobicContact CB-CD1 4.16Å; I53-Y73 HydrophobicContact CD1-CD1 3.78Å; I53-Y73 HydrophobicContact CD1-CD2 4.23Å; I53-Y73 HydrophobicContact CD1-CE1 4.42Å; I53-Y73 HydrophobicContact CD1-CG 3.67Å; I53-Y73 HydrophobicContact CG1-CD1 3.76Å; I53-Y73 HydrophobicContact CG1-CE1 4.21Å; I53-Y73 HydrophobicContact CG1-CG 4.19Å; I53-I87 HydrophobicContact CG2-CG2 3.59Å; I53-K88 CarbonylContact C-O 3.53Å; I53-K88 WeakPolarHBondContact CA-O 3.32Å; I53-I89 HydrophobicContact CD1-CG1 4.12Å; I53-I89 HydrophobicContact CD1-CG2 4.39Å; I53-I89 HydrophobicContact CG1-CG1 4.27Å; I53-I89 HydrophobicContact CG1-CG2 4.23Å; I53-I89 HydrophobicContact CG2-CG1 4.39Å
54Q98.4Very high93.8Very high30 Ų3052.1 Ų52.114%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-105.1132.3174.5-58.6-169.5-38.900109.7L65 R66 V67 I87 K88 F90Q54-L65 HydrophobicContact CB-CD1 4.21Å; Q54-R66 CarbonylContact C-O 3.53Å; Q54-R66 VanDerWaalsContact CA-O 3.24Å; Q54-R66 WeakPolarHBondContact CA-O 3.34Å; Q54-V67 HydrophobicContact CG-CG1 4.33Å; Q54-V67 HydrophobicContact CG-CG2 3.99Å; Q54-I87 CarbonylContact O-C 3.55Å; Q54-I87 WeakPolarHBondContact O-CA 3.38Å; Q54-K88 HydrophobicContact CB-CB 4.3Å; Q54-K88 PolarHBondContact N-O 3.06Å; Q54-K88 PolarHBondContact O-N 2.74Å; Q54-F90 HydrophobicContact CB-CE2 4.28Å; Q54-F90 VanDerWaalsContact CD-CE2 3.45Å; Q54-F90 HydrophobicContact CG-CD2 4.09Å; Q54-F90 HydrophobicContact CG-CE2 3.6Å; Q54-F90 VanDerWaalsContact OE1-CE2 3.24Å
55F98.4Very high94.4Very high0 Ų054.6 Ų54.60%029%0.288CS..EExtended strand (participates in β ladder)trans-112.5110.1172.9-59.9-94.2000107.4V36 V38 I53 P64 R66 V68 Y73 I75 I85 I87V36-F55 HydrophobicContact CG1-CD1 3.75Å; V36-F55 HydrophobicContact CG1-CE1 4.12Å; V36-F55 HydrophobicContact CG1-CG 4.42Å; V36-F55 HydrophobicContact CG2-CD1 4.22Å; V36-F55 HydrophobicContact CG2-CE1 4.25Å; V38-F55 HydrophobicContact CG2-CE1 4.33Å; V38-F55 HydrophobicContact CG2-CZ 4.34Å; I53-F55 HydrophobicContact CB-CE2 4.11Å; I53-F55 HydrophobicContact CB-CZ 4.47Å; I53-F55 HydrophobicContact CG2-CD2 4.2Å; I53-F55 HydrophobicContact CG2-CE1 4.3Å; I53-F55 HydrophobicContact CG2-CE2 3.57Å; I53-F55 HydrophobicContact CG2-CZ 3.63Å; F55-P64 VanDerWaalsContact O-O 3.12Å; F55-R66 HydrophobicContact CB-CB 4.39Å; F55-R66 PolarHBondContact N-O 3.42Å; F55-R66 PolarHBondContact O-N 3.47Å; F55-V68 HydrophobicContact CD2-CG2 4.22Å; F55-V68 HydrophobicContact CE2-CB 4.39Å; F55-V68 HydrophobicContact CE2-CG2 3.94Å; F55-Y73 WeakPolarHBondContact CZ-O 3.33Å; F55-I75 HydrophobicContact CB-CG1 4.26Å; F55-I75 HydrophobicContact CD2-CG1 3.66Å; F55-I75 HydrophobicContact CE2-CG1 4.18Å; F55-I75 HydrophobicContact CG-CG1 4Å; F55-I85 HydrophobicContact CB-CG2 4.45Å; F55-I85 HydrophobicContact CD1-CG2 4.43Å; F55-I87 HydrophobicContact CD1-CD1 4.32Å; F55-I87 HydrophobicContact CD1-CG1 3.9Å; F55-I87 HydrophobicContact CD1-CG2 4.1Å; F55-I87 HydrophobicContact CE1-CD1 4.12Å; F55-I87 HydrophobicContact CE1-CG1 4.12Å; F55-I87 HydrophobicContact CE1-CG2 3.85Å; F55-I87 HydrophobicContact CZ-CG2 4.4Å
56K98.1Very high95Very high93 Ų9354.7 Ų54.740%0.40429%0.285SS..EExtended strand (participates in β ladder)trans-91.1109.6172.2-175.1-177.7174.2-170.10108.5P64 L65 I86K56-P64 CarbonylContact C-O 3.59Å; K56-P64 WeakPolarHBondContact CA-O 3.27Å; K56-L65 HydrophobicContact CB-CD1 4.09Å; K56-I86 HydrophobicContact CB-CB 4.18Å; K56-I86 HydrophobicContact CD-CD1 4.3Å; K56-I86 PolarHBondContact N-O 2.94Å; K56-I86 PolarHBondContact O-N 3.16Å; K56-I86 VanDerWaalsContact O-N 3.14Å
57L97.9Very high95.4Very high4 Ų458 Ų582%0.02131%0.305CS..  trans-84.1174.7174.7-50.8-175.8000110.9W34 Y61 P64 R66 E77 F83 I85W34-L57 HydrophobicContact CH2-CD1 4.07Å; W34-L57 HydrophobicContact CH2-CD2 3.78Å; W34-L57 HydrophobicContact CZ3-CD2 4.3Å; L57-Y61 HydrophobicContact CB-CD2 4.24Å; L57-Y61 HydrophobicContact CB-CG 4.37Å; L57-Y61 HydrophobicContact CD1-CD1 4.34Å; L57-Y61 HydrophobicContact CD1-CG 4.17Å; L57-P64 HydrophobicContact CB-CB 4.47Å; L57-P64 PolarHBondContact N-O 3.15Å; L57-R66 HydrophobicContact CD1-CG 4.14Å; L57-R66 HydrophobicContact CG-CG 4.46Å; L57-E77 HydrophobicContact CD1-CG 4.24Å; L57-F83 HydrophobicContact CB-CE2 4.15Å; L57-F83 HydrophobicContact CB-CZ 4.46Å; L57-F83 HydrophobicContact CD2-CE2 4.42Å; L57-I85 HydrophobicContact CD2-CD1 4.14Å; L57-I85 HydrophobicContact CD2-CG1 4.13Å; L57-I85 HydrophobicContact CD2-CG2 4.17Å
58H96.6Very high95.7Very high100 Ų10057.1 Ų57.146%0.46330%0.298SS..  trans-60.3146170.6-172.6-99.4000111.3S60 Y61 F83H58-S60 WeakPolarHBondContact ND1-CB 3.47Å; H58-S60 PolarHBondContact ND1-N 3.26Å; H58-S60 PolarHBondContact ND1-OG 3.05Å; H58-S60 PolarHBondContact O-N 3.38Å; H58-Y61 HydrophobicContact CB-CD2 4.2Å; H58-Y61 HydrophobicContact CB-CE2 4.44Å; H58-Y61 PolarHBondContact O-N 3.4Å; H58-F83 HydrophobicContact CB-CB 4.43Å; H58-F83 HydrophobicContact CB-CD1 4.33Å; H58-F83 HydrophobicContact CB-CD2 3.67Å; H58-F83 HydrophobicContact CB-CE2 3.92Å; H58-F83 HydrophobicContact CB-CG 3.89Å; H58-F83 HydrophobicContact CB-CZ 4.38Å; H58-F83 VanDerWaalsContact N-CE2 3.3Å
59E95.2Very high96Very high158 Ų15859.7 Ų59.774%0.73831%0.311SS*.THydrogen-bonded Turntrans-63.2-17.1-172.8-62.5-176.1169.500114Y61E59-Y61 PolarHBondContact O-N 3.47Å
60S93.4Very high96.2Very high90 Ų9067.2 Ų67.263%0.62934%0.344SS*.THydrogen-bonded Turntrans-68.7-18.2173.963.40000113.9H58H58-S60 WeakPolarHBondContact ND1-CB 3.47Å; H58-S60 PolarHBondContact ND1-N 3.26Å; H58-S60 PolarHBondContact ND1-OG 3.05Å; H58-S60 PolarHBondContact O-N 3.38Å
61Y95.8Very high96.1Very high28 Ų2869.3 Ų69.311%0.1136%0.357CS..SBendtrans-81.3139.1177.6-75.1-94.3000110.9W34 L57 H58 E59 N63 P64 E77 T78 F83W34-Y61 AromaticContact CZ2-CE1 3.95Å; W34-Y61 HydrophobicContact CZ2-CE1 3.95Å; W34-Y61 HydrophobicContact CZ2-CE2 4.45Å; W34-Y61 AromaticContact CZ2-CZ 3.74Å; L57-Y61 HydrophobicContact CB-CD2 4.24Å; L57-Y61 HydrophobicContact CB-CG 4.37Å; L57-Y61 HydrophobicContact CD1-CD1 4.34Å; L57-Y61 HydrophobicContact CD1-CG 4.17Å; H58-Y61 HydrophobicContact CB-CD2 4.2Å; H58-Y61 HydrophobicContact CB-CE2 4.44Å; H58-Y61 PolarHBondContact O-N 3.4Å; E59-Y61 PolarHBondContact O-N 3.47Å; Y61-N63 PolarHBondContact O-N 2.95Å; Y61-P64 VanDerWaalsContact O-CD 3.3Å; Y61-P64 WeakPolarHBondContact O-CD 3.4Å; Y61-E77 HydrophobicContact CD1-CG 4.45Å; Y61-E77 HydrophobicContact CE1-CB 4.33Å; Y61-E77 HydrophobicContact CE1-CG 4.39Å; Y61-T78 WeakPolarHBondContact CE1-O 3.29Å; Y61-T78 PolarHBondContact OH-O 2.96Å; Y61-F83 HydrophobicContact CD2-CZ 4.27Å; Y61-F83 AromaticContact CE2-CE1 3.62Å; Y61-F83 HydrophobicContact CE2-CE1 3.62Å; Y61-F83 AromaticContact CE2-CZ 3.62Å; Y61-F83 HydrophobicContact CE2-CZ 3.62Å
62V94.1Very high96.1Very high129 Ų12966.7 Ų66.778%0.78235%0.353SS*.SBendtrans-62.3129171.5-179.30000108.9R66V62-R66 PolarHBondContact O-NH2 3.44Å
63N94.4Very high96.1Very high103 Ų10364.2 Ų64.255%0.55134%0.342SS*.SBendtrans51.769.5-173-175.727.1000111.4Y61 L65 R66Y61-N63 PolarHBondContact O-N 2.95Å; N63-L65 PolarHBondContact O-N 3.47Å; N63-L65 VanDerWaalsContact O-N 3.1Å; N63-L65 PolarHBondContact OD1-O 2.93Å; N63-R66 VanDerWaalsContact O-CD 3.27Å; N63-R66 WeakPolarHBondContact O-CD 3.49Å; N63-R66 PolarHBondContact O-NE 3.38Å
64P96.2Very high96Very high42 Ų4268.5 Ų68.527%0.27336%0.362SS..SBendtrans-65.1-19.5-172.927.1-34000112.3F55 K56 L57 Y61 R66F55-P64 VanDerWaalsContact O-O 3.12Å; K56-P64 CarbonylContact C-O 3.59Å; K56-P64 WeakPolarHBondContact CA-O 3.27Å; L57-P64 HydrophobicContact CB-CB 4.47Å; L57-P64 PolarHBondContact N-O 3.15Å; Y61-P64 VanDerWaalsContact O-CD 3.3Å; Y61-P64 WeakPolarHBondContact O-CD 3.4Å; P64-R66 PolarHBondContact O-N 3.3Å
65L97.9Very high96Very high77 Ų7768.1 Ų68.140%0.40336%0.361SS..EExtended strand (participates in β ladder)trans-95.192.9175.7-171.568.2000111Q54 K56 N63Q54-L65 HydrophobicContact CB-CD1 4.21Å; K56-L65 HydrophobicContact CB-CD1 4.09Å; N63-L65 PolarHBondContact O-N 3.47Å; N63-L65 VanDerWaalsContact O-N 3.1Å; N63-L65 PolarHBondContact OD1-O 2.93Å
66R97.6Very high95.9Very high40 Ų4071 Ų7115%0.15138%0.379CS..EExtended strand (participates in β ladder)trans-88143176.9-53.9-63.3176.273.70.6110.5Q54 F55 L57 V62 N63 P64 I75 E77Q54-R66 CarbonylContact C-O 3.53Å; Q54-R66 VanDerWaalsContact CA-O 3.24Å; Q54-R66 WeakPolarHBondContact CA-O 3.34Å; F55-R66 HydrophobicContact CB-CB 4.39Å; F55-R66 PolarHBondContact N-O 3.42Å; F55-R66 PolarHBondContact O-N 3.47Å; L57-R66 HydrophobicContact CD1-CG 4.14Å; L57-R66 HydrophobicContact CG-CG 4.46Å; V62-R66 PolarHBondContact O-NH2 3.44Å; N63-R66 VanDerWaalsContact O-CD 3.27Å; N63-R66 WeakPolarHBondContact O-CD 3.49Å; N63-R66 PolarHBondContact O-NE 3.38Å; P64-R66 PolarHBondContact O-N 3.3Å; R66-I75 HydrophobicContact CB-CD1 3.75Å; R66-I75 HydrophobicContact CB-CG1 3.95Å; R66-I75 HydrophobicContact CG-CD1 4.32Å; R66-I75 HydrophobicContact CG-CG1 4.47Å; R66-I75 HydrophobicContact CG-CG2 4.36Å; R66-E77 IonicContact CZ-OE1 3.45Å; R66-E77 VanDerWaalsContact CZ-OE1 3.23Å; R66-E77 IonicContact NH1-OE1 4Å; R66-E77 PolarHBondContact NH1-OE1 3.34Å; R66-E77 IonicContact NH2-OE1 3.39Å; R66-E77 PolarHBondContact NH2-OE1 3.23Å
67V98Very high95.9Very high72 Ų7268.7 Ų68.744%0.43637%0.369SS..EExtended strand (participates in β ladder)trans-128.5126.3-179.1-173.50000109.5K52 I53 Q54 T69K52-V67 HydrophobicContact CB-CG1 4.01Å; K52-V67 HydrophobicContact CD-CG1 3.84Å; K52-V67 HydrophobicContact CG-CG1 4.4Å; I53-V67 WeakPolarHBondContact O-CA 3.35Å; Q54-V67 HydrophobicContact CG-CG1 4.33Å; Q54-V67 HydrophobicContact CG-CG2 3.99Å; V67-T69 HydrophobicContact CG1-CG2 4.36Å
68V97.8Very high95.8Very high22 Ų2269.7 Ų69.713%0.13338%0.375CS..EExtended strand (participates in β ladder)trans-119.1125.3176.8-173.10000108.9K52 I53 F55 K70 Y73 I75K52-V68 CarbonylContact C-O 3.52Å; K52-V68 WeakPolarHBondContact CA-O 3.39Å; I53-V68 PolarHBondContact N-O 2.9Å; I53-V68 PolarHBondContact O-N 3.29Å; F55-V68 HydrophobicContact CD2-CG2 4.22Å; F55-V68 HydrophobicContact CE2-CB 4.39Å; F55-V68 HydrophobicContact CE2-CG2 3.94Å; V68-K70 VanDerWaalsContact CG1-O 3.25Å; V68-K70 WeakPolarHBondContact CG1-O 3.4Å; V68-Y73 HydrophobicContact CB-CD1 4.26Å; V68-Y73 HydrophobicContact CG1-CD1 3.92Å; V68-I75 HydrophobicContact CG2-CD1 3.57Å; V68-I75 HydrophobicContact CG2-CG1 4.1Å
69T95.4Very high95.8Very high80 Ų8064.9 Ų64.949%0.49135%0.353SS..  trans-108.1-11.4-175.160.50000113.5K52 V67K52-T69 HydrophobicContact CB-CG2 4.04Å; V67-T69 HydrophobicContact CG1-CG2 4.36Å
70K91.9Very high95.7Very high159 Ų15965.5 Ų65.569%0.69135%0.349SS*.SBendtrans-136.6148.3-177.3-65.6-175.9-179.6-178.60110.2V68V68-K70 VanDerWaalsContact CG1-O 3.25Å; V68-K70 WeakPolarHBondContact CG1-O 3.4Å
71P91.5Very high95.7Very high46 Ų4662.1 Ų62.130%0.29933%0.328SS..SBendtrans-64.9150.7174.327.6-34.1000111.4Y73P71-Y73 HydrophobicContact CB-CD2 4.12Å; P71-Y73 HydrophobicContact CB-CE2 3.85Å; P71-Y73 HydrophobicContact CG-CE2 4.37Å
72P94.7Very high95.8Very high69 Ų6964.7 Ų64.745%0.44834%0.341SS..SBendcis-70.2135.1-4.529.9-34.3000112E74P72-E74 VanDerWaalsContact C-N 3.28Å; P72-E74 HydrophobicContact CB-CG 4.13Å; P72-E74 HydrophobicContact CG-CG 4.2Å; P72-E74 PolarHBondContact O-N 2.97Å
73Y96.8Very high95.9Very high7 Ų759.7 Ų59.73%0.02731%0.309CS..EExtended strand (participates in β ladder)trans-83.675.2179.7-61-83.2000110.5Y37 V38 M46 S47 V50 I53 F55 V68 P71Y37-Y73 VanDerWaalsContact CA-O 3.26Å; Y37-Y73 WeakPolarHBondContact CA-O 3.35Å; V38-Y73 PolarHBondContact N-O 2.97Å; M46-Y73 HydrophobicContact CB-CE2 3.81Å; S47-Y73 VanDerWaalsContact CA-OH 3.3Å; S47-Y73 WeakPolarHBondContact CA-OH 3.26Å; S47-Y73 WeakPolarHBondContact CB-OH 3.27Å; S47-Y73 PolarHBondContact N-OH 2.96Å; V50-Y73 HydrophobicContact CG1-CE1 4.36Å; I53-Y73 HydrophobicContact CB-CD1 4.16Å; I53-Y73 HydrophobicContact CD1-CD1 3.78Å; I53-Y73 HydrophobicContact CD1-CD2 4.23Å; I53-Y73 HydrophobicContact CD1-CE1 4.42Å; I53-Y73 HydrophobicContact CD1-CG 3.67Å; I53-Y73 HydrophobicContact CG1-CD1 3.76Å; I53-Y73 HydrophobicContact CG1-CE1 4.21Å; I53-Y73 HydrophobicContact CG1-CG 4.19Å; F55-Y73 WeakPolarHBondContact CZ-O 3.33Å; V68-Y73 HydrophobicContact CB-CD1 4.26Å; V68-Y73 HydrophobicContact CG1-CD1 3.92Å; P71-Y73 HydrophobicContact CB-CD2 4.12Å; P71-Y73 HydrophobicContact CB-CE2 3.85Å; P71-Y73 HydrophobicContact CG-CE2 4.37Å
74E96.6Very high96Very high89 Ų8959.9 Ų59.942%0.41631%0.307SS..EExtended strand (participates in β ladder)trans-138.3153.9-176.467.8-175.6-153.200112.6V36 P72V36-E74 CarbonylContact O-C 3.46Å; V36-E74 WeakPolarHBondContact O-CA 3.49Å; V36-E74 WeakPolarHBondContact O-CB 3.31Å; P72-E74 VanDerWaalsContact C-N 3.28Å; P72-E74 HydrophobicContact CB-CG 4.13Å; P72-E74 HydrophobicContact CG-CG 4.2Å; P72-E74 PolarHBondContact O-N 2.97Å
75I97.4Very high96.1Very high23 Ų2357.9 Ų57.912%0.11829%0.294CS..EExtended strand (participates in β ladder)trans-127.3126.8171.1-64.2-65000107.7S35 V36 F55 R66 V68 E77S35-I75 CarbonylContact C-O 3.54Å; S35-I75 VanDerWaalsContact CA-O 3.25Å; S35-I75 WeakPolarHBondContact CA-O 3.38Å; V36-I75 HydrophobicContact CG1-CB 4Å; V36-I75 PolarHBondContact N-O 3.27Å; V36-I75 PolarHBondContact O-N 3.33Å; F55-I75 HydrophobicContact CB-CG1 4.26Å; F55-I75 HydrophobicContact CD2-CG1 3.66Å; F55-I75 HydrophobicContact CE2-CG1 4.18Å; F55-I75 HydrophobicContact CG-CG1 4Å; R66-I75 HydrophobicContact CB-CD1 3.75Å; R66-I75 HydrophobicContact CB-CG1 3.95Å; R66-I75 HydrophobicContact CG-CD1 4.32Å; R66-I75 HydrophobicContact CG-CG1 4.47Å; R66-I75 HydrophobicContact CG-CG2 4.36Å; V68-I75 HydrophobicContact CG2-CD1 3.57Å; V68-I75 HydrophobicContact CG2-CG1 4.1Å; I75-E77 HydrophobicContact CG2-CG 4.14Å
76T97.8Very high96.1Very high60 Ų6056 Ų5637%0.36828%0.283SS..EExtended strand (participates in β ladder)trans-106.4130.6173.6-62.40000110Q33 W34 S35Q33-T76 HydrophobicContact CG-CG2 3.9Å; W34-T76 CarbonylContact O-C 3.49Å; W34-T76 WeakPolarHBondContact O-CA 3.28Å; S35-T76 PolarHBondContact OG-OG1 3.38Å
77E97.4Very high96.1Very high45 Ų4554 Ų5421%0.2128%0.276CS..EExtended strand (participates in β ladder)trans-144.9175.7-177.9-90.1-62.9173.600111.1Q33 W34 L57 Y61 R66 I75Q33-E77 CarbonylContact C-O 3.56Å; Q33-E77 WeakPolarHBondContact CA-O 3.39Å; W34-E77 HydrophobicContact CD2-CB 4.08Å; W34-E77 HydrophobicContact CE3-CB 4.24Å; W34-E77 HydrophobicContact CH2-CB 3.45Å; W34-E77 VanDerWaalsContact CH2-CB 3.45Å; W34-E77 HydrophobicContact CH2-CG 4Å; W34-E77 HydrophobicContact CZ2-CB 3.24Å; W34-E77 HydrophobicContact CZ2-CG 4.1Å; W34-E77 HydrophobicContact CZ3-CB 3.95Å; W34-E77 PolarHBondContact N-O 3.16Å; W34-E77 PolarHBondContact O-N 3.2Å; L57-E77 HydrophobicContact CD1-CG 4.24Å; Y61-E77 HydrophobicContact CD1-CG 4.45Å; Y61-E77 HydrophobicContact CE1-CB 4.33Å; Y61-E77 HydrophobicContact CE1-CG 4.39Å; R66-E77 IonicContact CZ-OE1 3.45Å; R66-E77 VanDerWaalsContact CZ-OE1 3.23Å; R66-E77 IonicContact NH1-OE1 4Å; R66-E77 PolarHBondContact NH1-OE1 3.34Å; R66-E77 IonicContact NH2-OE1 3.39Å; R66-E77 PolarHBondContact NH2-OE1 3.23Å; I75-E77 HydrophobicContact CG2-CG 4.14Å
78T96.6Very high95.9Very high24 Ų2454.7 Ų54.715%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-125.5148.8175.760.90000110.6F21 H30 H32 Q33 Y61F21-T78 HydrophobicContact CE2-CG2 4.42Å; F21-T78 HydrophobicContact CZ-CG2 3.75Å; H30-T78 PolarHBondContact CE1-O 3.18Å; H30-T78 VanDerWaalsContact ND1-C 3.3Å; H30-T78 WeakPolarHBondContact ND1-CB 3.37Å; H30-T78 PolarHBondContact ND1-O 3.38Å; H30-T78 PolarHBondContact ND1-OG1 2.75Å; H32-T78 CarbonylContact O-C 3.54Å; H32-T78 WeakPolarHBondContact O-CA 3.4Å; H32-T78 WeakPolarHBondContact O-CB 3.16Å; Q33-T78 HydrophobicContact CB-CG2 4.21Å; Q33-T78 HydrophobicContact CG-CG2 4.39Å; Y61-T78 WeakPolarHBondContact CE1-O 3.29Å; Y61-T78 PolarHBondContact OH-O 2.96Å
79G95.2Very high95.8Very high0 Ų053.7 Ų53.70%027%0.267CS..EExtended strand (participates in β ladder)trans-175-176.3-178.200000113.2T31 H32T31-G79 PolarHBondContact N-O 3.18Å; T31-G79 VanDerWaalsContact N-O 3.09Å; T31-G79 PolarHBondContact OG1-O 2.83Å; H32-G79 PolarHBondContact N-O 3.45Å; H32-G79 PolarHBondContact O-N 3.4Å
80W93.9Very high95.6Very high171 Ų17152.1 Ų52.165%0.64825%0.254SS*.SBendtrans-128.4-17.5-178.655.2-96.2000114.1H30 T31H30-W80 AromaticContact CD2-CD1 3.86Å; T31-W80 HydrophobicContact CG2-CB 4.46Å; T31-W80 WeakPolarHBondContact OG1-CA 3.38Å
81G93.8Very high95.6Very high19 Ų1945.4 Ų45.420%0.19622%0.224CC..SBendtrans-114.1151.6-176.100000112.9L107G81-L107 WeakPolarHBondContact O-CD1 3.39Å
82E96.5Very high95.5Very high81 Ų8146 Ų4638%0.37922%0.224SC..  trans-88137170.1-63.5-170.7162.400109.3L105 K106 L107 F108E82-L105 WeakPolarHBondContact CA-O 3.48Å; E82-L105 WeakPolarHBondContact CB-O 3.4Å; E82-L105 WeakPolarHBondContact CG-O 3.19Å; E82-K106 WeakPolarHBondContact OE1-CA 3.23Å; E82-L107 HydrophobicContact CG-CB 4.09Å; E82-L107 HydrophobicContact CG-CD1 4.49Å; E82-L107 HydrophobicContact CG-CG 4.06Å; E82-L107 PolarHBondContact OE1-N 3.18Å; E82-F108 HydrophobicContact CG-CD2 4.15Å; E82-F108 HydrophobicContact CG-CE2 4.34Å; E82-F108 WeakPolarHBondContact OE1-CD2 3.46Å; E82-F108 PolarHBondContact OE1-N 2.96Å
83F96.8Very high95Very high25 Ų2542.9 Ų42.911%0.1120%0.204CC..  trans-155.7161.1-179.261.3-88000110.6W34 L57 H58 Y61 I85 L105W34-F83 HydrophobicContact CH2-CZ 4.04Å; W34-F83 HydrophobicContact CZ2-CE1 4.23Å; W34-F83 AromaticContact CZ2-CZ 3.87Å; W34-F83 HydrophobicContact CZ2-CZ 3.87Å; L57-F83 HydrophobicContact CB-CE2 4.15Å; L57-F83 HydrophobicContact CB-CZ 4.46Å; L57-F83 HydrophobicContact CD2-CE2 4.42Å; H58-F83 HydrophobicContact CB-CB 4.43Å; H58-F83 HydrophobicContact CB-CD1 4.33Å; H58-F83 HydrophobicContact CB-CD2 3.67Å; H58-F83 HydrophobicContact CB-CE2 3.92Å; H58-F83 HydrophobicContact CB-CG 3.89Å; H58-F83 HydrophobicContact CB-CZ 4.38Å; H58-F83 VanDerWaalsContact N-CE2 3.3Å; Y61-F83 HydrophobicContact CD2-CZ 4.27Å; Y61-F83 AromaticContact CE2-CE1 3.62Å; Y61-F83 HydrophobicContact CE2-CE1 3.62Å; Y61-F83 AromaticContact CE2-CZ 3.62Å; Y61-F83 HydrophobicContact CE2-CZ 3.62Å; F83-I85 HydrophobicContact CD2-CG1 4.01Å; F83-I85 HydrophobicContact CE2-CD1 4.16Å; F83-I85 HydrophobicContact CE2-CG1 3.5Å; F83-I85 HydrophobicContact CZ-CD1 4.38Å; F83-I85 HydrophobicContact CZ-CG1 4.2Å; F83-L105 HydrophobicContact CD1-CD2 3.97Å; F83-L105 HydrophobicContact CE1-CD2 3.43Å; F83-L105 VanDerWaalsContact CE1-CD2 3.43Å; F83-L105 HydrophobicContact CZ-CD2 3.91Å; F83-L105 VanDerWaalsContact O-CB 3.3Å; F83-L105 WeakPolarHBondContact O-CB 3.32Å; F83-L105 PolarHBondContact O-N 2.85Å
84E97.3Very high94.4Very high107 Ų10747.8 Ų47.850%0.524%0.237SC..EExtended strand (participates in β ladder)trans-76.2125.5176.8-172.1-178.681.600111Y102E84-Y102 HydrophobicContact CG-CD1 4.41Å; E84-Y102 WeakPolarHBondContact OE1-CD1 3.3Å
85I97.7Very high93.5Very high0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-100.8124.4171-61.8171.7000107.7W34 V36 F55 L57 F83 I87 H103 L105W34-I85 HydrophobicContact CH2-CD1 4.32Å; W34-I85 HydrophobicContact CZ3-CD1 3.96Å; V36-I85 HydrophobicContact CB-CD1 3.99Å; V36-I85 HydrophobicContact CG1-CD1 4.14Å; V36-I85 HydrophobicContact CG2-CD1 3.96Å; V36-I85 HydrophobicContact CG2-CG2 4.34Å; F55-I85 HydrophobicContact CB-CG2 4.45Å; F55-I85 HydrophobicContact CD1-CG2 4.43Å; L57-I85 HydrophobicContact CD2-CD1 4.14Å; L57-I85 HydrophobicContact CD2-CG1 4.13Å; L57-I85 HydrophobicContact CD2-CG2 4.17Å; F83-I85 HydrophobicContact CD2-CG1 4.01Å; F83-I85 HydrophobicContact CE2-CD1 4.16Å; F83-I85 HydrophobicContact CE2-CG1 3.5Å; F83-I85 HydrophobicContact CZ-CD1 4.38Å; F83-I85 HydrophobicContact CZ-CG1 4.2Å; I85-I87 HydrophobicContact CG2-CG1 4.08Å; I85-H103 PolarHBondContact N-O 2.94Å; I85-H103 PolarHBondContact O-N 3.48Å; I85-L105 HydrophobicContact CD1-CB 3.98Å; I85-L105 HydrophobicContact CD1-CD1 4.03Å; I85-L105 HydrophobicContact CD1-CG 4.42Å; I85-L105 HydrophobicContact CG1-CB 4.43Å
86I96.8Very high92.6Very high36 Ų3648.8 Ų48.819%0.18524%0.244CC..EExtended strand (participates in β ladder)trans-93.2119.9174.5-56.4167.5000108.1K56 K88 T100 Y102K56-I86 HydrophobicContact CB-CB 4.18Å; K56-I86 HydrophobicContact CD-CD1 4.3Å; K56-I86 PolarHBondContact N-O 2.94Å; K56-I86 PolarHBondContact O-N 3.16Å; K56-I86 VanDerWaalsContact O-N 3.14Å; I86-K88 HydrophobicContact CG2-CG 4.34Å; I86-T100 HydrophobicContact CG2-CG2 3.66Å; I86-Y102 HydrophobicContact CD1-CE1 4.2Å; I86-Y102 HydrophobicContact CG1-CD1 3.92Å; I86-Y102 HydrophobicContact CG1-CE1 3.95Å; I86-Y102 HydrophobicContact CG2-CE1 4.36Å
87I97.6Very high91.8Very high0 Ų051.3 Ų51.30%025%0.247CC..EExtended strand (participates in β ladder)trans-107118.5-179.2-49.2175.1000108.3F14 V36 V38 I53 Q54 F55 I85 T100 L101 H103F14-I87 HydrophobicContact CB-CD1 4.37Å; F14-I87 HydrophobicContact CD2-CD1 3.99Å; V36-I87 HydrophobicContact CG2-CD1 4.18Å; V38-I87 HydrophobicContact CG2-CD1 4.29Å; V38-I87 HydrophobicContact CG2-CG2 3.6Å; I53-I87 HydrophobicContact CG2-CG2 3.59Å; Q54-I87 CarbonylContact O-C 3.55Å; Q54-I87 WeakPolarHBondContact O-CA 3.38Å; F55-I87 HydrophobicContact CD1-CD1 4.32Å; F55-I87 HydrophobicContact CD1-CG1 3.9Å; F55-I87 HydrophobicContact CD1-CG2 4.1Å; F55-I87 HydrophobicContact CE1-CD1 4.12Å; F55-I87 HydrophobicContact CE1-CG1 4.12Å; F55-I87 HydrophobicContact CE1-CG2 3.85Å; F55-I87 HydrophobicContact CZ-CG2 4.4Å; I85-I87 HydrophobicContact CG2-CG1 4.08Å; I87-T100 CarbonylContact O-C 3.52Å; I87-T100 WeakPolarHBondContact O-CA 3.39Å; I87-L101 HydrophobicContact CB-CB 4.21Å; I87-L101 PolarHBondContact N-O 3.34Å; I87-L101 PolarHBondContact O-N 3.23Å; I87-H103 HydrophobicContact CD1-CB 4.19Å
88K95.1Very high91.3Very high86 Ų8651.8 Ų51.837%0.37425%0.254SS..EExtended strand (participates in β ladder)trans-114.1116.9177.3-72.6-170.8174.1-175.10111.6I53 Q54 I86 F90 V99 T100I53-K88 CarbonylContact C-O 3.53Å; I53-K88 WeakPolarHBondContact CA-O 3.32Å; Q54-K88 HydrophobicContact CB-CB 4.3Å; Q54-K88 PolarHBondContact N-O 3.06Å; Q54-K88 PolarHBondContact O-N 2.74Å; I86-K88 HydrophobicContact CG2-CG 4.34Å; K88-F90 HydrophobicContact CB-CD2 4.4Å; K88-F90 HydrophobicContact CB-CE2 3.7Å; K88-F90 HydrophobicContact CB-CZ 4.38Å; K88-V99 CarbonylContact C-O 3.58Å; K88-V99 VanDerWaalsContact CA-O 3.32Å; K88-V99 WeakPolarHBondContact CA-O 3.35Å; K88-T100 HydrophobicContact CG-CG2 4.01Å
89I94.6Very high90.9Very high0 Ų052.6 Ų52.60%026%0.259CS..EExtended strand (participates in β ladder)trans-96.3118.1178.2-51.5176.3000108.1I12 V38 V50 I53 F91 P98 V99 L101 M128I12-I89 HydrophobicContact CD1-CD1 4.03Å; V38-I89 HydrophobicContact CG1-CD1 4.1Å; V50-I89 HydrophobicContact CB-CG2 4.49Å; V50-I89 HydrophobicContact CG1-CG2 3.88Å; V50-I89 HydrophobicContact CG2-CG2 3.79Å; I53-I89 HydrophobicContact CD1-CG1 4.12Å; I53-I89 HydrophobicContact CD1-CG2 4.39Å; I53-I89 HydrophobicContact CG1-CG1 4.27Å; I53-I89 HydrophobicContact CG1-CG2 4.23Å; I53-I89 HydrophobicContact CG2-CG1 4.39Å; I89-F91 HydrophobicContact CG2-CE1 4.38Å; I89-P98 CarbonylContact O-C 3.58Å; I89-P98 WeakPolarHBondContact O-CA 3.46Å; I89-P98 WeakPolarHBondContact O-CB 3.34Å; I89-V99 HydrophobicContact CB-CB 4.3Å; I89-V99 PolarHBondContact N-O 2.95Å; I89-V99 PolarHBondContact O-N 3.43Å; I89-L101 HydrophobicContact CD1-CD1 4.14Å; I89-M128 HydrophobicContact CD1-SD 3.94Å; I89-M128 HydrophobicContact CG2-SD 4.48Å
90F92.8Very high90.6Very high48 Ų4854.4 Ų54.421%0.21127%0.27CS..EExtended strand (participates in β ladder)trans-102.6131.8175.8-66.7-100.8000109.3K51 K52 Q54 K88 P98K51-F90 WeakPolarHBondContact CB-O 3.3Å; K51-F90 PolarHBondContact N-O 3.45Å; K52-F90 HydrophobicContact CD-CD2 4.38Å; K52-F90 HydrophobicContact CG-CB 3.75Å; K52-F90 HydrophobicContact CG-CD2 3.87Å; K52-F90 HydrophobicContact CG-CG 3.99Å; K52-F90 PolarHBondContact N-O 2.6Å; K52-F90 PolarHBondContact O-N 3.17Å; Q54-F90 HydrophobicContact CB-CE2 4.28Å; Q54-F90 VanDerWaalsContact CD-CE2 3.45Å; Q54-F90 HydrophobicContact CG-CD2 4.09Å; Q54-F90 HydrophobicContact CG-CE2 3.6Å; Q54-F90 VanDerWaalsContact OE1-CE2 3.24Å; K88-F90 HydrophobicContact CB-CD2 4.4Å; K88-F90 HydrophobicContact CB-CE2 3.7Å; K88-F90 HydrophobicContact CB-CZ 4.38Å; F90-P98 HydrophobicContact CD1-CB 4.02Å; F90-P98 HydrophobicContact CD1-CG 3.53Å; F90-P98 HydrophobicContact CE1-CB 4.07Å; F90-P98 HydrophobicContact CE1-CG 3.55Å; F90-P98 HydrophobicContact CG-CB 4.32Å; F90-P98 HydrophobicContact CG-CG 4.29Å; F90-P98 HydrophobicContact CZ-CB 4.41Å; F90-P98 HydrophobicContact CZ-CG 4.32Å
91F90.8Very high90.5Very high18 Ų1846.7 Ų46.78%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-84.6162.3177.4-57.6-70000112Y49 K51 I89 D93 E96 R97 V99 M128 M166Y49-F91 HydrophobicContact CD2-CD1 4.41Å; Y49-F91 HydrophobicContact CD2-CE1 4.42Å; Y49-F91 VanDerWaalsContact O-CA 3.3Å; Y49-F91 WeakPolarHBondContact O-CA 3.46Å; K51-F91 VanDerWaalsContact CB-O 3.23Å; K51-F91 WeakPolarHBondContact CB-O 3.31Å; I89-F91 HydrophobicContact CG2-CE1 4.38Å; F91-D93 VanDerWaalsContact C-N 3.32Å; F91-E96 HydrophobicContact CB-CB 3.99Å; F91-E96 HydrophobicContact CB-CG 4.29Å; F91-E96 HydrophobicContact CD2-CB 3.75Å; F91-E96 HydrophobicContact CD2-CG 3.29Å; F91-E96 HydrophobicContact CE2-CG 3.75Å; F91-E96 HydrophobicContact CG-CB 4.19Å; F91-E96 HydrophobicContact CG-CG 3.94Å; F91-R97 WeakPolarHBondContact CE2-O 3.23Å; F91-V99 HydrophobicContact CE2-CG2 3.84Å; F91-V99 HydrophobicContact CZ-CG2 3.71Å; F91-M128 HydrophobicContact CE1-SD 4.08Å; F91-M128 HydrophobicContact CZ-SD 4.02Å; F91-M166 HydrophobicContact CB-CE 3.89Å; F91-M166 HydrophobicContact CB-SD 4.47Å; F91-M166 HydrophobicContact CD1-CE 3.36Å; F91-M166 HydrophobicContact CD2-CE 4.47Å; F91-M166 HydrophobicContact CE1-CE 3.96Å; F91-M166 HydrophobicContact CG-CE 3.65Å
92I89.9Confident90.4Very high58 Ų5852.4 Ų52.430%0.29726%0.258SS..SBendtrans-64.5-42174.1-72.5173000110.4S47 A48 Y49 K51 P94 M165 L169S47-I92 WeakPolarHBondContact O-CD1 3.43Å; A48-I92 WeakPolarHBondContact O-CD1 3.35Å; Y49-I92 PolarHBondContact O-N 2.97Å; K51-I92 HydrophobicContact CB-CG1 4.1Å; I92-P94 VanDerWaalsContact O-CD 3.32Å; I92-P94 WeakPolarHBondContact O-CD 3.45Å; I92-M165 HydrophobicContact CG2-CE 3.86Å; I92-L169 HydrophobicContact CB-CD1 4.05Å; I92-L169 HydrophobicContact CD1-CD1 4.4Å; I92-L169 HydrophobicContact CG2-CD1 3.94Å
93D83.9Confident90.3Very high3 Ų348.6 Ų48.62%0.01624%0.24CC..SBendtrans-68.6115.6173.2-170.2-15.6000109.8F91 N95 E96 T163 M166F91-D93 VanDerWaalsContact C-N 3.32Å; D93-N95 PolarHBondContact O-N 3Å; D93-N95 WeakPolarHBondContact OD1-CB 3.44Å; D93-N95 PolarHBondContact OD1-N 3.31Å; D93-N95 PolarHBondContact OD1-ND2 3.48Å; D93-E96 HydrophobicContact CB-CB 4.29Å; D93-E96 PolarHBondContact O-N 2.96Å; D93-T163 WeakPolarHBondContact OD2-CB 3.19Å; D93-T163 PolarHBondContact OD2-OG1 2.8Å; D93-M166 HydrophobicContact CB-CB 4.1Å; D93-M166 HydrophobicContact CB-CG 4.47Å; D93-M166 HydrophobicContact CB-SD 4.28Å
94P83.4Confident90.3Very high110 Ų11052.6 Ų52.671%0.71426%0.262SS*.THydrogen-bonded Turntrans-70.1-16.7179.730.8-36.6000113.5I92I92-P94 VanDerWaalsContact O-CD 3.32Å; I92-P94 WeakPolarHBondContact O-CD 3.45Å
95N79.1Confident90.3Very high104 Ų10447.5 Ų47.556%0.55624%0.238SC*.THydrogen-bonded Turntrans-76.3-18.7175.9-58.4-43000111.6D93 T163D93-N95 PolarHBondContact O-N 3Å; D93-N95 WeakPolarHBondContact OD1-CB 3.44Å; D93-N95 PolarHBondContact OD1-N 3.31Å; D93-N95 PolarHBondContact OD1-ND2 3.48Å; N95-T163 PolarHBondContact ND2-OG1 2.93Å
96E77.8Confident90.2Very high29 Ų2950.7 Ų50.714%0.13625%0.252CS..SBendtrans-81.5129.4179.8-160.963.7-161.600111F91 D93 Q130F91-E96 HydrophobicContact CB-CB 3.99Å; F91-E96 HydrophobicContact CB-CG 4.29Å; F91-E96 HydrophobicContact CD2-CB 3.75Å; F91-E96 HydrophobicContact CD2-CG 3.29Å; F91-E96 HydrophobicContact CE2-CG 3.75Å; F91-E96 HydrophobicContact CG-CB 4.19Å; F91-E96 HydrophobicContact CG-CG 3.94Å; D93-E96 HydrophobicContact CB-CB 4.29Å; D93-E96 PolarHBondContact O-N 2.96Å; E96-Q130 PolarHBondContact OE1-NE2 3.42Å; E96-Q130 PolarHBondContact OE2-NE2 3.25Å
97R80.3Confident90Very high114 Ų11449 Ų4943%0.4324%0.243SC..PPolyproline II helixtrans-68.1136.8179.8-69.6-178-179.9175.4-0.4110.2F91 V99 L156 Q157 Q160F91-R97 WeakPolarHBondContact CE2-O 3.23Å; R97-V99 PolarHBondContact O-N 2.92Å; R97-L156 PolarHBondContact NH1-O 3.45Å; R97-Q157 PolarHBondContact NH1-O 3.36Å; R97-Q160 HydrophobicContact CG-CG 4.49Å
98P86.8Confident89.6Confident55 Ų5554.3 Ų54.336%0.35727%0.267SS..PPolyproline II helixtrans-62.4137.2174.7-22.833.5000112.3I89 F90I89-P98 CarbonylContact O-C 3.58Å; I89-P98 WeakPolarHBondContact O-CA 3.46Å; I89-P98 WeakPolarHBondContact O-CB 3.34Å; F90-P98 HydrophobicContact CD1-CB 4.02Å; F90-P98 HydrophobicContact CD1-CG 3.53Å; F90-P98 HydrophobicContact CE1-CB 4.07Å; F90-P98 HydrophobicContact CE1-CG 3.55Å; F90-P98 HydrophobicContact CG-CB 4.32Å; F90-P98 HydrophobicContact CG-CG 4.29Å; F90-P98 HydrophobicContact CZ-CB 4.41Å; F90-P98 HydrophobicContact CZ-CG 4.32Å
99V88.1Confident89Confident40 Ų4053.6 Ų53.624%0.24227%0.265CS..EExtended strand (participates in β ladder)trans-79.9132.9171.3174.80000108.8K88 I89 F91 R97 L101 M128K88-V99 CarbonylContact C-O 3.58Å; K88-V99 VanDerWaalsContact CA-O 3.32Å; K88-V99 WeakPolarHBondContact CA-O 3.35Å; I89-V99 HydrophobicContact CB-CB 4.3Å; I89-V99 PolarHBondContact N-O 2.95Å; I89-V99 PolarHBondContact O-N 3.43Å; F91-V99 HydrophobicContact CE2-CG2 3.84Å; F91-V99 HydrophobicContact CZ-CG2 3.71Å; R97-V99 PolarHBondContact O-N 2.92Å; V99-L101 HydrophobicContact CG1-CD2 3.96Å; V99-L101 HydrophobicContact CG1-CG 4.24Å; V99-M128 HydrophobicContact CG2-CG 4.32Å; V99-M128 HydrophobicContact CG2-SD 4.4Å
100T90Very high87.6Confident38 Ų3857.7 Ų57.723%0.23329%0.293CS..EExtended strand (participates in β ladder)trans-116.5123.2177.2-55.50000109.5I86 I87 K88 Y102I86-T100 HydrophobicContact CG2-CG2 3.66Å; I87-T100 CarbonylContact O-C 3.52Å; I87-T100 WeakPolarHBondContact O-CA 3.39Å; K88-T100 HydrophobicContact CG-CG2 4.01Å; T100-Y102 HydrophobicContact CG2-CE2 3.85Å
101L90.9Very high85.9Confident9 Ų963.2 Ų63.25%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-115.1148.3176.6-49.2168.6000109.2I12 F14 I87 I89 V99 D126I12-L101 HydrophobicContact CD1-CD1 3.86Å; F14-L101 HydrophobicContact CB-CD1 4.18Å; F14-L101 HydrophobicContact CD1-CD1 3.73Å; F14-L101 HydrophobicContact CD2-CB 4.39Å; F14-L101 HydrophobicContact CD2-CD1 4.31Å; F14-L101 HydrophobicContact CE1-CD1 4.12Å; F14-L101 HydrophobicContact CE1-CD2 4.25Å; F14-L101 HydrophobicContact CE2-CB 4.17Å; F14-L101 HydrophobicContact CG-CD1 3.81Å; F14-L101 HydrophobicContact CZ-CB 4.24Å; I87-L101 HydrophobicContact CB-CB 4.21Å; I87-L101 PolarHBondContact N-O 3.34Å; I87-L101 PolarHBondContact O-N 3.23Å; I89-L101 HydrophobicContact CD1-CD1 4.14Å; V99-L101 HydrophobicContact CG1-CD2 3.96Å; V99-L101 HydrophobicContact CG1-CG 4.24Å; L101-D126 WeakPolarHBondContact CD2-OD2 3.39Å
102Y92.6Very high84.2Confident140 Ų14067.9 Ų67.955%0.54936%0.36SS..EExtended strand (participates in β ladder)trans-118.5117.8178.6-61.9-93.5000108.2E84 I86 T100E84-Y102 HydrophobicContact CG-CD1 4.41Å; E84-Y102 WeakPolarHBondContact OE1-CD1 3.3Å; I86-Y102 HydrophobicContact CD1-CE1 4.2Å; I86-Y102 HydrophobicContact CG1-CD1 3.92Å; I86-Y102 HydrophobicContact CG1-CE1 3.95Å; I86-Y102 HydrophobicContact CG2-CE1 4.36Å; T100-Y102 HydrophobicContact CG2-CE2 3.85Å
103H94.9Very high82.3Confident1 Ų168.3 Ų68.31%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-122.6117.8-178.1-179.160.7000110.5F14 N16 I85 I87 L105 S122 F124F14-H103 HydrophobicContact CD2-CB 4.06Å; F14-H103 HydrophobicContact CE2-CB 3.95Å; N16-H103 PolarHBondContact N-NE2 2.95Å; N16-H103 PolarHBondContact OD1-NE2 3.09Å; I85-H103 PolarHBondContact N-O 2.94Å; I85-H103 PolarHBondContact O-N 3.48Å; I87-H103 HydrophobicContact CD1-CB 4.19Å; H103-L105 PolarHBondContact O-N 2.93Å; H103-S122 PolarHBondContact CE1-O 2.79Å; H103-F124 AromaticContact CE1-CE2 3.83Å; H103-F124 AromaticContact ND1-CD2 3.73Å; H103-F124 AromaticContact ND1-CE2 3.64Å
104L96.4Very high80.8Confident108 Ų10873.6 Ų73.657%0.56541%0.412SS*.EExtended strand (participates in β ladder)trans-76.3111.6170.6-173.667000109.1K106L104-K106 PolarHBondContact O-N 3.19Å
105L96.9Very high79.3Confident0 Ų075.4 Ų75.40%041%0.413CS..  trans-59119.6177.6178.471.7000109.7N16 W34 E82 F83 I85 H103 L107N16-L105 HydrophobicContact CB-CD1 3.78Å; N16-L105 VanDerWaalsContact CG-CD1 3.49Å; W34-L105 HydrophobicContact CB-CD1 4.07Å; W34-L105 HydrophobicContact CD2-CD1 3.77Å; W34-L105 HydrophobicContact CD2-CD2 3.75Å; W34-L105 HydrophobicContact CD2-CG 4.43Å; W34-L105 HydrophobicContact CE3-CD1 3.69Å; W34-L105 HydrophobicContact CE3-CD2 4.25Å; W34-L105 HydrophobicContact CG-CD1 3.96Å; W34-L105 HydrophobicContact CG-CD2 4Å; W34-L105 HydrophobicContact CZ2-CD2 4.13Å; W34-L105 HydrophobicContact CZ3-CD1 4.38Å; E82-L105 WeakPolarHBondContact CA-O 3.48Å; E82-L105 WeakPolarHBondContact CB-O 3.4Å; E82-L105 WeakPolarHBondContact CG-O 3.19Å; F83-L105 HydrophobicContact CD1-CD2 3.97Å; F83-L105 HydrophobicContact CE1-CD2 3.43Å; F83-L105 VanDerWaalsContact CE1-CD2 3.43Å; F83-L105 HydrophobicContact CZ-CD2 3.91Å; F83-L105 VanDerWaalsContact O-CB 3.3Å; F83-L105 WeakPolarHBondContact O-CB 3.32Å; F83-L105 PolarHBondContact O-N 2.85Å; I85-L105 HydrophobicContact CD1-CB 3.98Å; I85-L105 HydrophobicContact CD1-CD1 4.03Å; I85-L105 HydrophobicContact CD1-CG 4.42Å; I85-L105 HydrophobicContact CG1-CB 4.43Å; H103-L105 PolarHBondContact O-N 2.93Å; L105-L107 HydrophobicContact CD1-CD2 4.48Å; L105-L107 HydrophobicContact CD2-CD2 4.11Å; L105-L107 HydrophobicContact CD2-CG 4.44Å; L105-L107 HydrophobicContact CG-CD2 4.11Å; L105-L107 HydrophobicContact CG-CG 4.46Å
106K95.2Very high78.2Confident68 Ų6876.4 Ų76.430%0.29643%0.425SS..  trans-105.1122.5179.5-164.5166.8-176.9163.60111.2N16 E82 L104 F108 V120N16-K106 PolarHBondContact ND2-O 3.47Å; N16-K106 PolarHBondContact OD1-N 2.97Å; E82-K106 WeakPolarHBondContact OE1-CA 3.23Å; L104-K106 PolarHBondContact O-N 3.19Å; K106-F108 VanDerWaalsContact CE-O 3.26Å; K106-F108 WeakPolarHBondContact CE-O 3.49Å; K106-V120 HydrophobicContact CB-CG1 4.41Å; K106-V120 HydrophobicContact CD-CG1 4.45Å; K106-V120 HydrophobicContact CG-CG1 3.99Å
107L93.1Very high77.3Confident1 Ų182.1 Ų82.11%0.00545%0.449CS..  trans-110.4-31.8179-59.9-174.9000111.9A18 H32 W34 G81 E82 L105 V120A18-L107 HydrophobicContact CB-CD2 3.67Å; H32-L107 HydrophobicContact CB-CD1 4.29Å; H32-L107 HydrophobicContact CB-CD2 3.97Å; H32-L107 PolarHBondContact NE2-O 3.37Å; W34-L107 HydrophobicContact CB-CD2 3.9Å; W34-L107 HydrophobicContact CG-CD2 4.04Å; G81-L107 WeakPolarHBondContact O-CD1 3.39Å; E82-L107 HydrophobicContact CG-CB 4.09Å; E82-L107 HydrophobicContact CG-CD1 4.49Å; E82-L107 HydrophobicContact CG-CG 4.06Å; E82-L107 PolarHBondContact OE1-N 3.18Å; L105-L107 HydrophobicContact CD1-CD2 4.48Å; L105-L107 HydrophobicContact CD2-CD2 4.11Å; L105-L107 HydrophobicContact CD2-CG 4.44Å; L105-L107 HydrophobicContact CG-CD2 4.11Å; L105-L107 HydrophobicContact CG-CG 4.46Å; L107-V120 VanDerWaalsContact O-CG2 3.27Å; L107-V120 WeakPolarHBondContact O-CG2 3.37Å
108F89.4Confident77Confident111 Ų11183.3 Ų83.349%0.48746%0.457SS..SBendtrans-104.3152.5-174.1-55.2-78.2000112.6H32 E82 K106H32-F108 AromaticContact CE1-CE1 3.67Å; E82-F108 HydrophobicContact CG-CD2 4.15Å; E82-F108 HydrophobicContact CG-CE2 4.34Å; E82-F108 WeakPolarHBondContact OE1-CD2 3.46Å; E82-F108 PolarHBondContact OE1-N 2.96Å; K106-F108 VanDerWaalsContact CE-O 3.26Å; K106-F108 WeakPolarHBondContact CE-O 3.49Å
109Q81.4Confident77Confident71 Ų7183.7 Ų83.733%0.33246%0.459SS..  trans-79.2141.4174-69.1176.36.700110.1K117 V120Q109-K117 VanDerWaalsContact NE2-CB 3.33Å; Q109-K117 PolarHBondContact NE2-O 2.96Å; Q109-V120 HydrophobicContact CG-CG2 3.63Å
110S66.8Low77.1Confident85 Ų8582.6 Ų82.659%0.59445%0.453SS*.  trans-81.9117.616346.90000108.1S112S110-S112 PolarHBondContact O-N 3.47Å
111D56Low77.3Confident164 Ų16483.5 Ų83.588%0.87746%0.458SS*.SBendtrans-55.7100.2-172.8-62-48.3000113.1
112S54.5Low77.4Confident117 Ų11784 Ų8482%0.81846%0.462SS*.  trans-1596167.182.80000116.3S110S110-S112 PolarHBondContact O-N 3.47Å
113S50.3Low77.4Confident67 Ų6778.1 Ų78.147%0.46944%0.439SS..  trans-126.5123.8178.558.60000111.3M115S113-M115 PolarHBondContact O-N 2.76Å
114A52.4Low76.9Confident114 Ų11482.9 Ų82.994%0.94246%0.46SS*.SBendtrans-63.512.1-177.600000115.6
115M53.3Low76.5Confident148 Ų14882.5 Ų82.573%0.72945%0.452SS*.SBendtrans-128.6123.3172.1-65-156.1-63.200109.6S113 K117S113-M115 PolarHBondContact O-N 2.76Å; M115-K117 PolarHBondContact O-N 2.95Å
116P55.3Low75.8Confident125 Ų12585.6 Ų85.681%0.81247%0.469SS*.  trans-65.5104.1174.225.7-31.1000108.6K118P116-K118 PolarHBondContact O-N 2.92Å
117K59.3Low75.1Confident149 Ų14986.4 Ų86.465%0.64847%0.474SS*.  trans-67134.8171-67.5-179.6178-177.90107.6Q109 M115 T119Q109-K117 VanDerWaalsContact NE2-CB 3.33Å; Q109-K117 PolarHBondContact NE2-O 2.96Å; M115-K117 PolarHBondContact O-N 2.95Å; K117-T119 PolarHBondContact O-N 3.49Å
118K73.1Confident74.5Confident138 Ų13887.2 Ų87.260%0.648%0.478SS*.SBendtrans-72.9-16.5177.8-164.4170-177171.60112.7P116P116-K118 PolarHBondContact O-N 2.92Å
119T86.1Confident73.6Confident64 Ų6485 Ų8539%0.39347%0.473SS..EExtended strand (participates in β ladder)trans-125.6133.9-175.9-490000109.4V17 A18 K117 V121V17-T119 HydrophobicContact CB-CG2 4.39Å; A18-T119 CarbonylContact O-C 3.5Å; A18-T119 VanDerWaalsContact O-CA 3.25Å; A18-T119 WeakPolarHBondContact O-CA 3.45Å; A18-T119 WeakPolarHBondContact O-CG2 3.38Å; K117-T119 PolarHBondContact O-N 3.49Å; T119-V121 HydrophobicContact CG2-CG2 4.29Å
120V91.6Very high72.7Confident17 Ų1782.2 Ų82.210%0.10346%0.46CS..EExtended strand (participates in β ladder)trans-99134.2170177.50000107.9V17 A18 K106 L107 Q109V17-V120 CarbonylContact C-O 3.55Å; V17-V120 VanDerWaalsContact CA-O 3.27Å; V17-V120 WeakPolarHBondContact CA-O 3.47Å; A18-V120 HydrophobicContact CB-CB 4.35Å; A18-V120 PolarHBondContact N-O 3.36Å; A18-V120 PolarHBondContact O-N 3.07Å; K106-V120 HydrophobicContact CB-CG1 4.41Å; K106-V120 HydrophobicContact CD-CG1 4.45Å; K106-V120 HydrophobicContact CG-CG1 3.99Å; L107-V120 VanDerWaalsContact O-CG2 3.27Å; L107-V120 WeakPolarHBondContact O-CG2 3.37Å; Q109-V120 HydrophobicContact CG-CG2 3.63Å
121V92.8Very high71.9Confident56 Ų5680.1 Ų80.134%0.33944%0.442SS..EExtended strand (participates in β ladder)trans-126.4128.1178.3-176.40000107.1V17 T119 E123 E184V17-V121 HydrophobicContact CG1-CB 4.49Å; V17-V121 HydrophobicContact CG1-CG1 4.22Å; V17-V121 HydrophobicContact CG1-CG2 4Å; T119-V121 HydrophobicContact CG2-CG2 4.29Å; V121-E123 HydrophobicContact CG1-CG 3.79Å; V121-E184 HydrophobicContact CG1-CB 4.1Å
122S93.6Very high71.4Confident19 Ų1974.8 Ų74.813%0.13341%0.412CS..EExtended strand (participates in β ladder)trans-134.596.5174-169.90000108.1G15 N16 H103G15-S122 CarbonylContact C-O 3.56Å; G15-S122 WeakPolarHBondContact CA-O 3.33Å; N16-S122 PolarHBondContact N-O 3.33Å; N16-S122 PolarHBondContact O-N 2.94Å; H103-S122 PolarHBondContact CE1-O 2.79Å
123E92.2Very high71Confident17 Ų1771.8 Ų71.88%0.07938%0.384CS..EExtended strand (participates in β ladder)trans-119.6145.7-179.2-63.9178.5119.800111V13 F14 Y37 K39 V121 T185 F187V13-E123 HydrophobicContact CG1-CB 3.98Å; V13-E123 HydrophobicContact CG1-CG 4.31Å; F14-E123 CarbonylContact O-C 3.52Å; F14-E123 WeakPolarHBondContact O-CA 3.37Å; Y37-E123 HydrophobicContact CE2-CG 4.16Å; Y37-E123 VanDerWaalsContact CE2-OE1 3.23Å; Y37-E123 WeakPolarHBondContact CE2-OE1 3.4Å; Y37-E123 VanDerWaalsContact CZ-OE1 3.29Å; Y37-E123 WeakPolarHBondContact OH-CG 3.32Å; Y37-E123 PolarHBondContact OH-OE1 3.14Å; K39-E123 WeakPolarHBondContact CE-OE1 3.44Å; K39-E123 IonicContact NZ-OE1 3.74Å; K39-E123 PolarHBondContact NZ-OE1 2.97Å; V121-E123 HydrophobicContact CG1-CG 3.79Å; E123-T185 VanDerWaalsContact OE2-CB 3.25Å; E123-T185 WeakPolarHBondContact OE2-CB 3.26Å; E123-T185 PolarHBondContact OE2-N 3.42Å; E123-T185 PolarHBondContact OE2-OG1 3.42Å; E123-F187 HydrophobicContact CB-CE1 4.47Å; E123-F187 HydrophobicContact CB-CZ 3.85Å
124F86Confident70.5Confident102 Ų10273.4 Ų73.445%0.44739%0.388SS..EExtended strand (participates in β ladder)trans-125.8142.1176.9-62.5-84.7000109.8V13 F14 H103V13-F124 WeakPolarHBondContact CA-O 3.47Å; F14-F124 HydrophobicContact CD1-CB 4.31Å; F14-F124 HydrophobicContact CE1-CB 3.82Å; F14-F124 HydrophobicContact CE2-CB 4.35Å; F14-F124 HydrophobicContact CE2-CD2 4.31Å; F14-F124 HydrophobicContact CZ-CB 3.85Å; F14-F124 HydrophobicContact CZ-CD2 4.48Å; F14-F124 HydrophobicContact CZ-CG 4.41Å; F14-F124 PolarHBondContact N-O 3.46Å; F14-F124 PolarHBondContact O-N 3.45Å; H103-F124 AromaticContact CE1-CE2 3.83Å; H103-F124 AromaticContact ND1-CD2 3.73Å; H103-F124 AromaticContact ND1-CE2 3.64Å
125Y86.6Confident70Confident99 Ų9973.8 Ų73.839%0.38837%0.373SS..EExtended strand (participates in β ladder)trans-91.2137.3170.4175.8-92.5000109.1P11 Y41 E127P11-Y125 HydrophobicContact CB-CE2 3.73Å; P11-Y125 VanDerWaalsContact CB-OH 3.28Å; P11-Y125 WeakPolarHBondContact CB-OH 3.25Å; Y41-Y125 HydrophobicContact CD1-CE2 4.35Å; Y41-Y125 AromaticContact CD2-CD2 3.82Å; Y41-Y125 HydrophobicContact CD2-CD2 3.82Å; Y41-Y125 AromaticContact CD2-CE2 3.79Å; Y41-Y125 HydrophobicContact CD2-CE2 3.79Å; Y41-Y125 HydrophobicContact CE2-CD2 4.25Å; Y41-Y125 HydrophobicContact CE2-CE2 4.24Å; Y41-Y125 HydrophobicContact CG-CD2 4.31Å; Y41-Y125 AromaticContact CG-CE2 3.85Å; Y41-Y125 HydrophobicContact CG-CE2 3.85Å; Y125-E127 HydrophobicContact CE1-CG 3.6Å; Y125-E127 WeakPolarHBondContact CE1-OE1 3.24Å; Y125-E127 WeakPolarHBondContact OH-CG 3.45Å; Y125-E127 PolarHBondContact OH-OE1 3.4Å
126D83.5Confident69.7Low65 Ų6572 Ų7235%0.34837%0.366SS..EExtended strand (participates in β ladder)trans-146.6161.5173.4-153.6-14000110.6I12 F14 L101I12-D126 HydrophobicContact CD1-CB 4.47Å; I12-D126 HydrophobicContact CG1-CB 4.11Å; I12-D126 WeakPolarHBondContact CG1-O 3.26Å; I12-D126 PolarHBondContact N-O 3.36Å; I12-D126 PolarHBondContact O-N 3.17Å; I12-D126 VanDerWaalsContact O-O 3.12Å; F14-D126 HydrophobicContact CD1-CB 4.32Å; F14-D126 HydrophobicContact CE1-CB 3.94Å; L101-D126 WeakPolarHBondContact CD2-OD2 3.39Å
127E80.6Confident69.4Low86 Ų8673.2 Ų73.240%0.40236%0.364SS..EExtended strand (participates in β ladder)trans-122.2117.2-179.5-72.3-175.2-178.300110.1V9 P11 Y125 V129V9-E127 HydrophobicContact CG1-CB 3.83Å; V9-E127 HydrophobicContact CG1-CG 3.95Å; V9-E127 WeakPolarHBondContact CG1-OE2 3.46Å; P11-E127 HydrophobicContact CB-CG 4.37Å; Y125-E127 HydrophobicContact CE1-CG 3.6Å; Y125-E127 WeakPolarHBondContact CE1-OE1 3.24Å; Y125-E127 WeakPolarHBondContact OH-CG 3.45Å; Y125-E127 PolarHBondContact OH-OE1 3.4Å; E127-V129 HydrophobicContact CB-CG2 4.14Å; E127-V129 PolarHBondContact O-N 3.38Å
128M80.7Confident68.8Low18 Ų1868.2 Ų68.29%0.08936%0.355CS..EExtended strand (participates in β ladder)trans-75.8100.4167.7-60.1-177.6-60.700107.8K10 I12 Y49 I89 F91 V99K10-M128 HydrophobicContact CB-CB 4.24Å; K10-M128 HydrophobicContact CB-CE 3.65Å; K10-M128 PolarHBondContact N-O 2.9Å; K10-M128 PolarHBondContact O-N 3.24Å; I12-M128 HydrophobicContact CD1-CG 3.96Å; I12-M128 HydrophobicContact CD1-SD 4.24Å; I12-M128 HydrophobicContact CG1-CG 4.42Å; I12-M128 HydrophobicContact CG2-CE 3.6Å; I12-M128 HydrophobicContact CG2-SD 4.35Å; Y49-M128 HydrophobicContact CE2-CE 3.83Å; I89-M128 HydrophobicContact CD1-SD 3.94Å; I89-M128 HydrophobicContact CG2-SD 4.48Å; F91-M128 HydrophobicContact CE1-SD 4.08Å; F91-M128 HydrophobicContact CZ-SD 4.02Å; V99-M128 HydrophobicContact CG2-CG 4.32Å; V99-M128 HydrophobicContact CG2-SD 4.4Å
129V69.6Low67.7Low64 Ų6467.6 Ų67.639%0.38835%0.352SS..EExtended strand (participates in β ladder)trans-94.6123.6178.2-175.50000109.3T7 V9 E127 L131T7-V129 HydrophobicContact CG2-CG1 3.88Å; V9-V129 HydrophobicContact CG1-CG2 4.41Å; V9-V129 HydrophobicContact CG2-CG1 4.44Å; V9-V129 HydrophobicContact CG2-CG2 4.33Å; E127-V129 HydrophobicContact CB-CG2 4.14Å; E127-V129 PolarHBondContact O-N 3.38Å; V129-L131 HydrophobicContact CG1-CD2 3.81Å; V129-L131 HydrophobicContact CG1-CG 4.03Å
130Q61.9Low65.9Low12 Ų1268.9 Ų68.96%0.05636%0.356CS..EExtended strand (participates in β ladder)trans-106.2114.3172-166.4168.615.200109.8I8 E96 P162I8-Q130 PolarHBondContact N-O 2.91Å; I8-Q130 PolarHBondContact O-N 3.09Å; E96-Q130 PolarHBondContact OE1-NE2 3.42Å; E96-Q130 PolarHBondContact OE2-NE2 3.25Å; Q130-P162 HydrophobicContact CG-CB 4.17Å; Q130-P162 HydrophobicContact CG-CG 3.94Å
131L50.1Low63.9Low41 Ų4171.7 Ų71.722%0.21538%0.376CS..  trans-98.9116.9-178.3-62.9174.6000110.6T7 V129 F133 I158T7-L131 HydrophobicContact CG2-CD2 3.98Å; V129-L131 HydrophobicContact CG1-CD2 3.81Å; V129-L131 HydrophobicContact CG1-CG 4.03Å; L131-F133 HydrophobicContact CB-CD2 3.64Å; L131-F133 HydrophobicContact CB-CE2 3.27Å; L131-F133 HydrophobicContact CB-CZ 4.2Å; L131-F133 HydrophobicContact CD1-CE2 3.43Å; L131-F133 VanDerWaalsContact CD1-CE2 3.43Å; L131-F133 HydrophobicContact CD1-CZ 3.8Å; L131-F133 HydrophobicContact CG-CE2 3.9Å; L131-F133 HydrophobicContact CG-CZ 4.48Å; L131-I158 HydrophobicContact CB-CG2 4.43Å; L131-I158 HydrophobicContact CD1-CB 4.3Å; L131-I158 HydrophobicContact CD1-CG2 3.56Å; L131-I158 HydrophobicContact CG-CG2 4.02Å
132M46.8Very low61.8Low53 Ų5373.9 Ų73.926%0.26139%0.389SS..  trans-77.4115.7162.6-77.9-175.582.800108.9V6 P162V6-M132 HydrophobicContact CB-SD 4.23Å; M132-P162 VanDerWaalsContact CG-CD 3.43Å; M132-P162 HydrophobicContact CG-CG 3.25Å; M132-P162 HydrophobicContact SD-CG 4.12Å
133F44.8Very low59.5Low53 Ų5377 Ų7723%0.23240%0.401CS..  trans-108.192.7171.3-77.7-87.1000110.1L131 N135 F159 D161L131-F133 HydrophobicContact CB-CD2 3.64Å; L131-F133 HydrophobicContact CB-CE2 3.27Å; L131-F133 HydrophobicContact CB-CZ 4.2Å; L131-F133 HydrophobicContact CD1-CE2 3.43Å; L131-F133 VanDerWaalsContact CD1-CE2 3.43Å; L131-F133 HydrophobicContact CD1-CZ 3.8Å; L131-F133 HydrophobicContact CG-CE2 3.9Å; L131-F133 HydrophobicContact CG-CZ 4.48Å; F133-N135 PolarHBondContact O-N 3.16Å; F133-N135 VanDerWaalsContact O-N 3.07Å; F133-F159 HydrophobicContact CB-CD1 3.54Å; F133-F159 HydrophobicContact CB-CE1 3.53Å; F133-F159 HydrophobicContact CD1-CD1 4.07Å; F133-F159 AromaticContact CD1-CE1 3.19Å; F133-F159 HydrophobicContact CD1-CE1 3.19Å; F133-F159 AromaticContact CD1-CZ 3.69Å; F133-F159 HydrophobicContact CD1-CZ 3.69Å; F133-F159 AromaticContact CD2-CD1 3.01Å; F133-F159 HydrophobicContact CD2-CD1 3.01Å; F133-F159 HydrophobicContact CD2-CD2 4.2Å; F133-F159 AromaticContact CD2-CE1 2.87Å; F133-F159 HydrophobicContact CD2-CE1 2.87Å; F133-F159 AromaticContact CD2-CE2 3.99Å; F133-F159 HydrophobicContact CD2-CE2 3.99Å; F133-F159 AromaticContact CD2-CG 3.75Å; F133-F159 HydrophobicContact CD2-CG 3.75Å; F133-F159 AromaticContact CD2-CZ 3.38Å; F133-F159 HydrophobicContact CD2-CZ 3.38Å; F133-F159 HydrophobicContact CE1-CD1 4.5Å; F133-F159 AromaticContact CE1-CE1 3.41Å; F133-F159 HydrophobicContact CE1-CE1 3.41Å; F133-F159 VanDerWaalsContact CE1-CE1 3.41Å; F133-F159 HydrophobicContact CE1-CE2 4.43Å; F133-F159 AromaticContact CE1-CZ 3.33Å; F133-F159 HydrophobicContact CE1-CZ 3.33Å; F133-F159 AromaticContact CE2-CD1 3.51Å; F133-F159 HydrophobicContact CE2-CD1 3.51Å; F133-F159 AromaticContact CE2-CD2 3.9Å; F133-F159 HydrophobicContact CE2-CD2 3.9Å; F133-F159 AromaticContact CE2-CE1 3.05Å; F133-F159 HydrophobicContact CE2-CE1 3.05Å; F133-F159 AromaticContact CE2-CE2 3.36Å; F133-F159 HydrophobicContact CE2-CE2 3.36Å; F133-F159 AromaticContact CE2-CG 3.95Å; F133-F159 HydrophobicContact CE2-CG 3.95Å; F133-F159 AromaticContact CE2-CZ 2.92Å; F133-F159 HydrophobicContact CE2-CZ 2.92Å; F133-F159 AromaticContact CG-CD1 3.3Å; F133-F159 HydrophobicContact CG-CD1 3.3Å; F133-F159 AromaticContact CG-CE1 2.9Å; F133-F159 HydrophobicContact CG-CE1 2.9Å; F133-F159 HydrophobicContact CG-CG 4.42Å; F133-F159 AromaticContact CG-CZ 3.69Å; F133-F159 HydrophobicContact CG-CZ 3.69Å; F133-F159 HydrophobicContact CZ-CD1 4.25Å; F133-F159 AromaticContact CZ-CE1 3.33Å; F133-F159 HydrophobicContact CZ-CE1 3.33Å; F133-F159 AromaticContact CZ-CE2 3.64Å; F133-F159 HydrophobicContact CZ-CE2 3.64Å; F133-F159 AromaticContact CZ-CZ 2.92Å; F133-F159 HydrophobicContact CZ-CZ 2.92Å; F133-D161 PolarHBondContact N-OD1 2.84Å
134L40Very low57.4Low102 Ų10281.4 Ų81.453%0.53442%0.424SS..  trans-56.1114.9166.9-78.6162.1000110G3G3-L134 WeakPolarHBondContact O-CD1 3.33Å
135N42.2Very low55.8Low121 Ų12183.7 Ų83.765%0.64744%0.44SS*.  trans61.787.7159.4-60.3-73.4000115.9F133 I137 G138F133-N135 PolarHBondContact O-N 3.16Å; F133-N135 VanDerWaalsContact O-N 3.07Å; N135-I137 PolarHBondContact O-N 3.37Å; N135-G138 PolarHBondContact O-N 3.35Å
136I46.4Very low54Low112 Ų11284.7 Ų84.757%0.57445%0.451SS*.Hα-helixtrans-51.4-13.8172.6-68.5169.8000114.3I140I136-I140 HydrophobicContact CG2-CD1 3.59Å; I136-I140 HydrophobicContact CG2-CG1 4.27Å; I136-I140 WeakPolarHBondContact O-CD1 3.39Å; I136-I140 WeakPolarHBondContact O-CG1 3.29Å
137I49Very low52.2Low150 Ų15088.2 Ų88.277%0.76947%0.47SS*.Hα-helixtrans-75.2-28.8-178-53.6175.4000112.5N135N135-I137 PolarHBondContact O-N 3.37Å
138G47.7Very low50.8Low44 Ų4491.9 Ų91.945%0.45448%0.481SS..Hα-helixtrans-84.1-36.8179.200000113.8N135 S141N135-G138 PolarHBondContact O-N 3.35Å; G138-S141 PolarHBondContact O-N 2.83Å; G138-S141 PolarHBondContact O-OG 3.39Å
139F49.6Very low49.2Very low124 Ų124100.7 Ų100.754%0.54452%0.515SS..Hα-helixtrans-70.9-38.4-172.8-140-98.5000112S141 V142 F143F139-S141 PolarHBondContact O-N 3.09Å; F139-V142 PolarHBondContact O-N 3.28Å; F139-F143 HydrophobicContact CD1-CD2 4.18Å; F139-F143 AromaticContact CE1-CD2 3.94Å; F139-F143 HydrophobicContact CE1-CD2 3.94Å; F139-F143 HydrophobicContact CE1-CE2 4.4Å; F139-F143 WeakPolarHBondContact O-CB 3.28Å; F139-F143 PolarHBondContact O-N 2.73Å
140I48.8Very low48.1Very low92 Ų92108.5 Ų108.547%0.47254%0.539SS..Hα-helixtrans-60.3-33.1177.6-65.6171.1000111.7I136 L144I136-I140 HydrophobicContact CG2-CD1 3.59Å; I136-I140 HydrophobicContact CG2-CG1 4.27Å; I136-I140 WeakPolarHBondContact O-CD1 3.39Å; I136-I140 WeakPolarHBondContact O-CG1 3.29Å; I140-L144 HydrophobicContact CG2-CD1 3.69Å; I140-L144 HydrophobicContact CG2-CG 4.27Å; I140-L144 WeakPolarHBondContact O-CB 3.43Å; I140-L144 WeakPolarHBondContact O-CD1 3.25Å; I140-L144 VanDerWaalsContact O-CG 3.31Å; I140-L144 WeakPolarHBondContact O-CG 3.29Å; I140-L144 PolarHBondContact O-N 3.06Å
141S49.2Very low47.2Very low75 Ų75113.1 Ų113.152%0.52456%0.559SS.*Hα-helixtrans-71.4-31.2-177.875.80000114.1G138 F139G138-S141 PolarHBondContact O-N 2.83Å; G138-S141 PolarHBondContact O-OG 3.39Å; F139-S141 PolarHBondContact O-N 3.09Å
142V48.5Very low46.9Very low102 Ų102115.5 Ų115.562%0.61857%0.571SS**Hα-helixtrans-89.6-32178.1-178.80000110.8F139 L145F139-V142 PolarHBondContact O-N 3.28Å; V142-L145 PolarHBondContact O-N 2.94Å
143F46Very low46.6Very low85 Ų85121.4 Ų121.437%0.37360%0.603SS.*Hα-helixtrans-73.8-25.9-178.3-148-94.6000113.6F139 L145 F151F139-F143 HydrophobicContact CD1-CD2 4.18Å; F139-F143 AromaticContact CE1-CD2 3.94Å; F139-F143 HydrophobicContact CE1-CD2 3.94Å; F139-F143 HydrophobicContact CE1-CE2 4.4Å; F139-F143 WeakPolarHBondContact O-CB 3.28Å; F139-F143 PolarHBondContact O-N 2.73Å; F143-L145 VanDerWaalsContact C-N 3.31Å; F143-L145 PolarHBondContact O-N 2.77Å; F143-F151 HydrophobicContact CE1-CD1 4.01Å; F143-F151 HydrophobicContact CE2-CD1 4.2Å; F143-F151 HydrophobicContact CE2-CE1 4.13Å; F143-F151 HydrophobicContact CZ-CB 4.26Å; F143-F151 AromaticContact CZ-CD1 3.27Å; F143-F151 HydrophobicContact CZ-CD1 3.27Å; F143-F151 AromaticContact CZ-CE1 3.62Å; F143-F151 HydrophobicContact CZ-CE1 3.62Å; F143-F151 AromaticContact CZ-CG 3.85Å; F143-F151 HydrophobicContact CZ-CG 3.85Å; F143-F151 HydrophobicContact CZ-CZ 4.5Å
144L47.6Very low46.4Very low110 Ų110124.7 Ų124.758%0.57663%0.631SS**THydrogen-bonded Turntrans-74-15.9176.1-79.4167.9000114.2I140 Y148I140-L144 HydrophobicContact CG2-CD1 3.69Å; I140-L144 HydrophobicContact CG2-CG 4.27Å; I140-L144 WeakPolarHBondContact O-CB 3.43Å; I140-L144 WeakPolarHBondContact O-CD1 3.25Å; I140-L144 VanDerWaalsContact O-CG 3.31Å; I140-L144 WeakPolarHBondContact O-CG 3.29Å; I140-L144 PolarHBondContact O-N 3.06Å; L144-Y148 HydrophobicContact CD2-CD2 4.34Å; L144-Y148 HydrophobicContact CD2-CE2 4.13Å
145L51.2Low46.5Very low149 Ų149123.6 Ų123.678%0.7862%0.623SS**THydrogen-bonded Turntrans-92.7-12.6-176.4-84.6162.4000114.4V142 F143V142-L145 PolarHBondContact O-N 2.94Å; F143-L145 VanDerWaalsContact C-N 3.31Å; F143-L145 PolarHBondContact O-N 2.77Å
146I48.8Very low46.1Very low121 Ų121124.6 Ų124.662%0.62163%0.628SS**SBendtrans-132.494.1-176.5-52.4179.4000110.1
147N46.8Very low45.9Very low138 Ų138126.2 Ų126.274%0.73863%0.633SS**  trans73.176.6157.5-71.3-81.9000118.5Y149N147-Y149 VanDerWaalsContact C-N 3.28Å; N147-Y149 PolarHBondContact O-N 2.8Å
148Y50.9Low45.5Very low164 Ų164122 Ų12264%0.64361%0.611SS**THydrogen-bonded Turntrans-65.116179.2-162.1-104.6000117.9L144L144-Y148 HydrophobicContact CD2-CD2 4.34Å; L144-Y148 HydrophobicContact CD2-CE2 4.13Å
149Y47Very low45.1Very low203 Ų203123.1 Ų123.180%0.79660%0.604SS**THydrogen-bonded Turntrans-139.2-7.7-172.6-113.3-92.3000119.4N147N147-Y149 VanDerWaalsContact C-N 3.28Å; N147-Y149 PolarHBondContact O-N 2.8Å
150Y45.8Very low44.8Very low228 Ų228122.1 Ų122.189%0.89460%0.601SS**THydrogen-bonded Turntrans-123.8-11.1-179.9-97.5-88.9000115.9
151F44.9Very low44.8Very low108 Ų108122 Ų12247%0.47460%0.601SS.*SBendtrans-98.2-20.6-177-162-88.6000114.2F143 L153 E155F143-F151 HydrophobicContact CE1-CD1 4.01Å; F143-F151 HydrophobicContact CE2-CD1 4.2Å; F143-F151 HydrophobicContact CE2-CE1 4.13Å; F143-F151 HydrophobicContact CZ-CB 4.26Å; F143-F151 AromaticContact CZ-CD1 3.27Å; F143-F151 HydrophobicContact CZ-CD1 3.27Å; F143-F151 AromaticContact CZ-CE1 3.62Å; F143-F151 HydrophobicContact CZ-CE1 3.62Å; F143-F151 AromaticContact CZ-CG 3.85Å; F143-F151 HydrophobicContact CZ-CG 3.85Å; F143-F151 HydrophobicContact CZ-CZ 4.5Å; F151-L153 VanDerWaalsContact C-N 3.32Å; F151-L153 PolarHBondContact O-N 2.94Å; F151-E155 HydrophobicContact CE1-CB 4.02Å; F151-E155 HydrophobicContact CE1-CG 4.14Å; F151-E155 HydrophobicContact CZ-CB 4.47Å; F151-E155 HydrophobicContact CZ-CG 4.07Å
152I43.6Very low45.2Very low92 Ų92119 Ų11947%0.47258%0.58SS.*THydrogen-bonded Turntrans-75.8-11.7-168.2-69.9-178.4000114.1
153L39.4Very low46.1Very low177 Ų177116.6 Ų116.693%0.92757%0.565SS**THydrogen-bonded Turntrans-97.1-11-179.5-80168.7000115.9F151F151-L153 VanDerWaalsContact C-N 3.32Å; F151-L153 PolarHBondContact O-N 2.94Å
154C40.6Very low47.4Very low122 Ų122116.1 Ų116.182%0.82458%0.577SS**THydrogen-bonded Turntrans-105.7-18.1-174.1-130.60000115.5
155E42.3Very low48.7Very low78 Ų78115.6 Ų115.636%0.36457%0.573SS.*  trans-121.414-165.8-89.5-103.5144.900115.3F151 Q157 I158F151-E155 HydrophobicContact CE1-CB 4.02Å; F151-E155 HydrophobicContact CE1-CG 4.14Å; F151-E155 HydrophobicContact CZ-CB 4.47Å; F151-E155 HydrophobicContact CZ-CG 4.07Å; E155-Q157 PolarHBondContact O-N 2.59Å; E155-I158 WeakPolarHBondContact OE1-CD1 3.38Å
156L34.4Very low49.9Very low142 Ų142108.6 Ų108.674%0.74354%0.536SS*.THydrogen-bonded Turntrans-74.99.2179.3-102.3161.6000115R97R97-L156 PolarHBondContact NH1-O 3.45Å
157Q42Very low50.9Low147 Ų147105.7 Ų105.769%0.68752%0.52SS*.THydrogen-bonded Turntrans-103.7-11.9-176.3-145.1145.3-53.100115.2R97 E155R97-Q157 PolarHBondContact NH1-O 3.36Å; E155-Q157 PolarHBondContact O-N 2.59Å
158I41.3Very low52.4Low61 Ų61105.4 Ų105.431%0.31351%0.514SS..  trans-110.440.3-166.8-33.8-180000114.5L131 E155L131-I158 HydrophobicContact CB-CG2 4.43Å; L131-I158 HydrophobicContact CD1-CB 4.3Å; L131-I158 HydrophobicContact CD1-CG2 3.56Å; L131-I158 HydrophobicContact CG-CG2 4.02Å; E155-I158 WeakPolarHBondContact OE1-CD1 3.38Å
159F38.1Very low53.6Low67 Ų6799.7 Ų99.729%0.29450%0.495SS..  trans-142.888.3-178.8-78-109.5000112.9F133F133-F159 HydrophobicContact CB-CD1 3.54Å; F133-F159 HydrophobicContact CB-CE1 3.53Å; F133-F159 HydrophobicContact CD1-CD1 4.07Å; F133-F159 AromaticContact CD1-CE1 3.19Å; F133-F159 HydrophobicContact CD1-CE1 3.19Å; F133-F159 AromaticContact CD1-CZ 3.69Å; F133-F159 HydrophobicContact CD1-CZ 3.69Å; F133-F159 AromaticContact CD2-CD1 3.01Å; F133-F159 HydrophobicContact CD2-CD1 3.01Å; F133-F159 HydrophobicContact CD2-CD2 4.2Å; F133-F159 AromaticContact CD2-CE1 2.87Å; F133-F159 HydrophobicContact CD2-CE1 2.87Å; F133-F159 AromaticContact CD2-CE2 3.99Å; F133-F159 HydrophobicContact CD2-CE2 3.99Å; F133-F159 AromaticContact CD2-CG 3.75Å; F133-F159 HydrophobicContact CD2-CG 3.75Å; F133-F159 AromaticContact CD2-CZ 3.38Å; F133-F159 HydrophobicContact CD2-CZ 3.38Å; F133-F159 HydrophobicContact CE1-CD1 4.5Å; F133-F159 AromaticContact CE1-CE1 3.41Å; F133-F159 HydrophobicContact CE1-CE1 3.41Å; F133-F159 VanDerWaalsContact CE1-CE1 3.41Å; F133-F159 HydrophobicContact CE1-CE2 4.43Å; F133-F159 AromaticContact CE1-CZ 3.33Å; F133-F159 HydrophobicContact CE1-CZ 3.33Å; F133-F159 AromaticContact CE2-CD1 3.51Å; F133-F159 HydrophobicContact CE2-CD1 3.51Å; F133-F159 AromaticContact CE2-CD2 3.9Å; F133-F159 HydrophobicContact CE2-CD2 3.9Å; F133-F159 AromaticContact CE2-CE1 3.05Å; F133-F159 HydrophobicContact CE2-CE1 3.05Å; F133-F159 AromaticContact CE2-CE2 3.36Å; F133-F159 HydrophobicContact CE2-CE2 3.36Å; F133-F159 AromaticContact CE2-CG 3.95Å; F133-F159 HydrophobicContact CE2-CG 3.95Å; F133-F159 AromaticContact CE2-CZ 2.92Å; F133-F159 HydrophobicContact CE2-CZ 2.92Å; F133-F159 AromaticContact CG-CD1 3.3Å; F133-F159 HydrophobicContact CG-CD1 3.3Å; F133-F159 AromaticContact CG-CE1 2.9Å; F133-F159 HydrophobicContact CG-CE1 2.9Å; F133-F159 HydrophobicContact CG-CG 4.42Å; F133-F159 AromaticContact CG-CZ 3.69Å; F133-F159 HydrophobicContact CG-CZ 3.69Å; F133-F159 HydrophobicContact CZ-CD1 4.25Å; F133-F159 AromaticContact CZ-CE1 3.33Å; F133-F159 HydrophobicContact CZ-CE1 3.33Å; F133-F159 AromaticContact CZ-CE2 3.64Å; F133-F159 HydrophobicContact CZ-CE2 3.64Å; F133-F159 AromaticContact CZ-CZ 2.92Å; F133-F159 HydrophobicContact CZ-CZ 2.92Å
160Q43.9Very low54.8Low103 Ų10390.4 Ų90.448%0.48146%0.459SS..  trans-138.2137.3150.6-71.1-63.9-68.800107.1R97R97-Q160 HydrophobicContact CG-CG 4.49Å
161D49.5Very low56.2Low90 Ų9084.1 Ų84.148%0.48144%0.444SS..PPolyproline II helixtrans-67.7133.6178.1-66.2-50.2000110.4F133 T163F133-D161 PolarHBondContact N-OD1 2.84Å; D161-T163 PolarHBondContact O-N 3.3Å
162P57.1Low57.4Low11 Ų1183.4 Ų83.47%0.07145%0.449CS..PPolyproline II helixtrans-52.2123.6167.65.9-18.7000110.5Q130 M132Q130-P162 HydrophobicContact CG-CB 4.17Å; Q130-P162 HydrophobicContact CG-CG 3.94Å; M132-P162 VanDerWaalsContact CG-CD 3.43Å; M132-P162 HydrophobicContact CG-CG 3.25Å; M132-P162 HydrophobicContact SD-CG 4.12Å
163T67.5Low58.3Low52 Ų5280.3 Ų80.332%0.31944%0.435SS..PPolyproline II helixtrans-59.3144.9164.3-42.80000108.2D93 N95 D161 M165 M166 Q167D93-T163 WeakPolarHBondContact OD2-CB 3.19Å; D93-T163 PolarHBondContact OD2-OG1 2.8Å; N95-T163 PolarHBondContact ND2-OG1 2.93Å; D161-T163 PolarHBondContact O-N 3.3Å; T163-M165 HydrophobicContact CG2-CB 4.22Å; T163-M165 CarbonylContact O-C 3.59Å; T163-M165 PolarHBondContact O-N 2.79Å; T163-M166 PolarHBondContact O-N 2.8Å; T163-Q167 PolarHBondContact O-N 3.01Å; T163-Q167 VanDerWaalsContact O-N 3.16Å
164A72.3Confident59.2Low76 Ų7682 Ų8263%0.62843%0.429SS*.Hα-helixtrans-50.1-30.617500000112.8Q168A164-Q168 PolarHBondContact O-N 2.82Å; A164-Q168 VanDerWaalsContact O-N 3.16Å
165M75.1Confident59.8Low98 Ų9884 Ų8448%0.48343%0.427SS..Hα-helixtrans-59.7-51.7171.3-178.6180169.300112.7I92 T163 Q167 Q168 L169I92-M165 HydrophobicContact CG2-CE 3.86Å; T163-M165 HydrophobicContact CG2-CB 4.22Å; T163-M165 CarbonylContact O-C 3.59Å; T163-M165 PolarHBondContact O-N 2.79Å; M165-Q167 VanDerWaalsContact C-N 3.32Å; M165-Q167 PolarHBondContact O-N 2.81Å; M165-Q168 PolarHBondContact O-N 3.5Å; M165-L169 HydrophobicContact CE-CD1 4.21Å; M165-L169 HydrophobicContact CG-CD1 4.44Å; M165-L169 WeakPolarHBondContact O-CG 3.48Å; M165-L169 PolarHBondContact O-N 3.21Å; M165-L169 VanDerWaalsContact O-N 3.09Å
166M75.6Confident60.2Low2 Ų282.3 Ų82.31%0.0142%0.42CS..Hα-helixtrans-63.2-40179.7-172.257.3172.100111.4F91 D93 T163 Q168 L169 L170F91-M166 HydrophobicContact CB-CE 3.89Å; F91-M166 HydrophobicContact CB-SD 4.47Å; F91-M166 HydrophobicContact CD1-CE 3.36Å; F91-M166 HydrophobicContact CD2-CE 4.47Å; F91-M166 HydrophobicContact CE1-CE 3.96Å; F91-M166 HydrophobicContact CG-CE 3.65Å; D93-M166 HydrophobicContact CB-CB 4.1Å; D93-M166 HydrophobicContact CB-CG 4.47Å; D93-M166 HydrophobicContact CB-SD 4.28Å; T163-M166 PolarHBondContact O-N 2.8Å; M166-Q168 VanDerWaalsContact C-N 3.3Å; M166-Q168 PolarHBondContact O-N 2.88Å; M166-L169 PolarHBondContact O-N 3.01Å; M166-L170 HydrophobicContact CE-CD1 4.08Å; M166-L170 HydrophobicContact CE-CD2 3.97Å; M166-L170 HydrophobicContact CE-CG 4.06Å; M166-L170 HydrophobicContact CG-CD1 3.93Å; M166-L170 HydrophobicContact CG-CG 4.33Å; M166-L170 WeakPolarHBondContact O-CB 3.45Å; M166-L170 VanDerWaalsContact O-CG 3.27Å; M166-L170 WeakPolarHBondContact O-CG 3.37Å; M166-L170 PolarHBondContact O-N 3.18Å; M166-L170 HydrophobicContact SD-CD1 4.44Å; M166-L170 HydrophobicContact SD-CG 4.27Å
167Q71.6Confident60.8Low61 Ų6182.3 Ų82.329%0.28543%0.426SS..Hα-helixtrans-57.8-42.3175.6-162.9-175.8-6.200112.1I8 T163 M165 T171I8-Q167 HydrophobicContact CD1-CB 4.43Å; I8-Q167 HydrophobicContact CD1-CG 3.71Å; T163-Q167 PolarHBondContact O-N 3.01Å; T163-Q167 VanDerWaalsContact O-N 3.16Å; M165-Q167 VanDerWaalsContact C-N 3.32Å; M165-Q167 PolarHBondContact O-N 2.81Å; Q167-T171 WeakPolarHBondContact O-CB 3.26Å; Q167-T171 VanDerWaalsContact O-CG2 3.32Å; Q167-T171 WeakPolarHBondContact O-CG2 3.48Å; Q167-T171 PolarHBondContact O-N 3.47Å; Q167-T171 PolarHBondContact O-OG1 2.91Å
168Q76.8Confident61Low131 Ų13182 Ų8261%0.61243%0.428SS*.Hα-helixtrans-66.7-42.6176.7-171.8179.7-37.400112.2A164 M165 M166 L170 T171 T172A164-Q168 PolarHBondContact O-N 2.82Å; A164-Q168 VanDerWaalsContact O-N 3.16Å; M165-Q168 PolarHBondContact O-N 3.5Å; M166-Q168 VanDerWaalsContact C-N 3.3Å; M166-Q168 PolarHBondContact O-N 2.88Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.87Å; Q168-T171 PolarHBondContact O-N 3.29Å; Q168-T171 PolarHBondContact O-OG1 2.98Å; Q168-T172 VanDerWaalsContact O-CB 3.26Å; Q168-T172 WeakPolarHBondContact O-CB 3.34Å; Q168-T172 PolarHBondContact O-N 3.07Å; Q168-T172 PolarHBondContact O-OG1 3.45Å
169L76.9Confident61.2Low45 Ų4582.5 Ų82.524%0.23645%0.449CS..Hα-helixtrans-63.5-39.5179-68.3179.9000112.3A48 I92 M165 M166A48-L169 WeakPolarHBondContact O-CB 3.34Å; A48-L169 WeakPolarHBondContact O-CD2 3.23Å; I92-L169 HydrophobicContact CB-CD1 4.05Å; I92-L169 HydrophobicContact CD1-CD1 4.4Å; I92-L169 HydrophobicContact CG2-CD1 3.94Å; M165-L169 HydrophobicContact CE-CD1 4.21Å; M165-L169 HydrophobicContact CG-CD1 4.44Å; M165-L169 WeakPolarHBondContact O-CG 3.48Å; M165-L169 PolarHBondContact O-N 3.21Å; M165-L169 VanDerWaalsContact O-N 3.09Å; M166-L169 PolarHBondContact O-N 3.01Å
170L73.1Confident61.4Low8 Ų883.4 Ų83.44%0.04247%0.468CS..Hα-helixtrans-71.4-33.1179-69.2169.8000113.1I8 K10 Y49 M166 Q168I8-L170 HydrophobicContact CB-CD1 4.11Å; I8-L170 HydrophobicContact CD1-CB 3.95Å; I8-L170 HydrophobicContact CD1-CD1 3.92Å; I8-L170 HydrophobicContact CG2-CB 3.97Å; I8-L170 HydrophobicContact CG2-CD1 3.91Å; I8-L170 HydrophobicContact CG2-CG 4.43Å; K10-L170 HydrophobicContact CD-CD2 4.23Å; K10-L170 WeakPolarHBondContact CE-O 3.16Å; K10-L170 HydrophobicContact CG-CD2 3.66Å; K10-L170 PolarHBondContact NZ-O 3.36Å; Y49-L170 HydrophobicContact CD1-CD2 3.96Å; Y49-L170 HydrophobicContact CD2-CD2 3.87Å; Y49-L170 HydrophobicContact CE1-CD2 4.47Å; Y49-L170 HydrophobicContact CE2-CD2 4.39Å; Y49-L170 HydrophobicContact CG-CD2 3.62Å; M166-L170 HydrophobicContact CE-CD1 4.08Å; M166-L170 HydrophobicContact CE-CD2 3.97Å; M166-L170 HydrophobicContact CE-CG 4.06Å; M166-L170 HydrophobicContact CG-CD1 3.93Å; M166-L170 HydrophobicContact CG-CG 4.33Å; M166-L170 WeakPolarHBondContact O-CB 3.45Å; M166-L170 VanDerWaalsContact O-CG 3.27Å; M166-L170 WeakPolarHBondContact O-CG 3.37Å; M166-L170 PolarHBondContact O-N 3.18Å; M166-L170 HydrophobicContact SD-CD1 4.44Å; M166-L170 HydrophobicContact SD-CG 4.27Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.87Å
171T73.7Confident61.5Low95 Ų9582.6 Ų82.658%0.58346%0.462SS*.Hα-helixtrans-88.3-29.3-176.250.30000113.5I8 Q167 Q168I8-T171 HydrophobicContact CD1-CG2 4.05Å; Q167-T171 WeakPolarHBondContact O-CB 3.26Å; Q167-T171 VanDerWaalsContact O-CG2 3.32Å; Q167-T171 WeakPolarHBondContact O-CG2 3.48Å; Q167-T171 PolarHBondContact O-N 3.47Å; Q167-T171 PolarHBondContact O-OG1 2.91Å; Q168-T171 PolarHBondContact O-N 3.29Å; Q168-T171 PolarHBondContact O-OG1 2.98Å
172T71.6Confident61.5Low94 Ų9486.7 Ų86.758%0.57748%0.475SS*.SBendtrans-98.24-173.1-43.10000113.1Q168 R174Q168-T172 VanDerWaalsContact O-CB 3.26Å; Q168-T172 WeakPolarHBondContact O-CB 3.34Å; Q168-T172 PolarHBondContact O-N 3.07Å; Q168-T172 PolarHBondContact O-OG1 3.45Å; T172-R174 PolarHBondContact O-N 3.42Å
173S61Low61.3Low26 Ų2688.3 Ų88.318%0.18248%0.482CS..PPolyproline II helixtrans-59.5131.7-179.6-174.60000111.3D45D45-S173 PolarHBondContact O-OG 3.09Å
174R59.5Low60.7Low213 Ų21392.1 Ų92.180%0.80450%0.496SS*.PPolyproline II helixtrans-82.9151.5-178.5-63.3-179.2-179-177.60.3110.1D45 T172D45-R174 PolarHBondContact N-O 2.96Å; T172-R174 PolarHBondContact O-N 3.42Å
175Q52.6Low60Low163 Ų16390.2 Ų90.276%0.76248%0.476SS*.PPolyproline II helixtrans-69.1136.3168.1-70.6-178.9-15.200110
176L49.8Very low59.2Low43 Ų4391.5 Ų91.523%0.22548%0.481CS..PPolyproline II helixtrans-69.6131.2174.6-72.7165.7000109.8N43 E44 D45 L178 Y181N43-L176 PolarHBondContact ND2-O 2.66Å; N43-L176 VanDerWaalsContact ND2-O 3.13Å; E44-L176 WeakPolarHBondContact O-CD1 3.39Å; D45-L176 HydrophobicContact CB-CD1 4.48Å; D45-L176 HydrophobicContact CB-CD2 3.84Å; D45-L176 HydrophobicContact CB-CG 3.96Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-Y181 HydrophobicContact CD1-CE2 4Å
177T47.7Very low58.4Low143 Ų14392.4 Ų92.488%0.87749%0.485SS*.SBendtrans-80.1-9.6178.350.90000113.5
178L45.4Very low57.9Low140 Ų14091.5 Ų91.573%0.73349%0.492SS*.SBendtrans-76.9138.9168.1-87.890.3000109L176L176-L178 VanDerWaalsContact C-N 3.31Å
179G47Very low57.2Low72 Ų7289.7 Ų89.774%0.74248%0.484SS*.  trans-45.4149.1-166.600000115.3Y181G179-Y181 PolarHBondContact O-N 3.2Å
180A42Very low56.7Low85 Ų8591.8 Ų91.870%0.70249%0.494SS*.PPolyproline II helixtrans-47.5126-173.900000112.7K182A180-K182 PolarHBondContact O-N 3.05Å; A180-K182 VanDerWaalsContact O-N 3.13Å
181Y46.7Very low56.6Low87 Ų8797.8 Ų97.834%0.34152%0.522SS..PPolyproline II helixtrans-56.1118.5170.7-81.7-81.5000109.5N43 L176 G179N43-Y181 VanDerWaalsContact OD1-CD2 3.29Å; N43-Y181 WeakPolarHBondContact OD1-CD2 3.44Å; L176-Y181 HydrophobicContact CD1-CE2 4Å; G179-Y181 PolarHBondContact O-N 3.2Å
182K47.9Very low56.1Low176 Ų17699.1 Ų99.177%0.76552%0.522SS*.PPolyproline II helixtrans-84.4120.1172.9-160175.7-178.8-176.30108A180A180-K182 PolarHBondContact O-N 3.05Å; A180-K182 VanDerWaalsContact O-N 3.13Å
183H53.9Low56Low45 Ų45100.8 Ų100.821%0.20852%0.517CS..PPolyproline II helixtrans-72.7127.6168.3-63.5-56.9000108K39 Y41 T185 F187K39-H183 WeakPolarHBondContact CE-ND1 3.27Å; Y41-H183 AromaticContact CD2-NE2 3.86Å; Y41-H183 PolarHBondContact O-CE1 2.64Å; Y41-H183 PolarHBondContact O-NE2 2.92Å; H183-T185 VanDerWaalsContact C-N 3.3Å; H183-T185 WeakPolarHBondContact CB-O 3.47Å; H183-F187 HydrophobicContact CB-CD2 4.21Å; H183-F187 HydrophobicContact CB-CE2 4.09Å
184E54.8Low56.3Low132 Ų132103.4 Ų103.462%0.61753%0.532SS*.SBendtrans-73.5-30.9175.8-68.3-68.3155.400110V121V121-E184 HydrophobicContact CG1-CB 4.1Å
185T56.4Low57.2Low35 Ų3599.7 Ų99.722%0.21552%0.522CS..SBendtrans-91.1124.1169-51.10000111.1E123 H183 F187E123-T185 VanDerWaalsContact OE2-CB 3.25Å; E123-T185 WeakPolarHBondContact OE2-CB 3.26Å; E123-T185 PolarHBondContact OE2-N 3.42Å; E123-T185 PolarHBondContact OE2-OG1 3.42Å; H183-T185 VanDerWaalsContact C-N 3.3Å; H183-T185 WeakPolarHBondContact CB-O 3.47Å; T185-F187 VanDerWaalsContact C-N 3.32Å; T185-F187 HydrophobicContact CG2-CD1 4.15Å; T185-F187 HydrophobicContact CG2-CE1 3.98Å; T185-F187 HydrophobicContact CG2-CG 4.49Å; T185-F187 HydrophobicContact CG2-CZ 4.17Å; T185-F187 WeakPolarHBondContact O-CD2 3.28Å; T185-F187 WeakPolarHBondContact O-CE2 3.17Å; T185-F187 PolarHBondContact O-N 2.82Å
186E59.8Low58.6Low126 Ų12697.1 Ų97.159%0.58951%0.51SS*.  trans-77.182.7169.7-68.1-163.1-178.500110.7G188 E189 L190E186-G188 PolarHBondContact O-N 2.81Å; E186-E189 HydrophobicContact CB-CB 4.44Å; E186-E189 HydrophobicContact CB-CG 4.2Å; E186-E189 PolarHBondContact O-N 3.29Å; E186-E189 WeakPolarHBondContact OE2-CG 3.35Å; E186-L190 PolarHBondContact O-N 3.24Å
187F58.7Low60.2Low21 Ų21102.6 Ų102.69%0.09253%0.532CS..Hα-helixtrans-57-32-178.4-65.7-76.8000113.5V13 Y41 E123 H183 T185 L190 E191V13-F187 HydrophobicContact CB-CE2 4.39Å; V13-F187 HydrophobicContact CB-CZ 4.35Å; V13-F187 HydrophobicContact CG1-CE2 3.83Å; V13-F187 HydrophobicContact CG1-CZ 3.51Å; V13-F187 HydrophobicContact CG2-CD2 4.31Å; V13-F187 HydrophobicContact CG2-CE2 3.63Å; V13-F187 HydrophobicContact CG2-CZ 3.86Å; Y41-F187 HydrophobicContact CE2-CB 4.25Å; Y41-F187 HydrophobicContact CE2-CD2 4.17Å; Y41-F187 HydrophobicContact CE2-CG 4.44Å; E123-F187 HydrophobicContact CB-CE1 4.47Å; E123-F187 HydrophobicContact CB-CZ 3.85Å; H183-F187 HydrophobicContact CB-CD2 4.21Å; H183-F187 HydrophobicContact CB-CE2 4.09Å; T185-F187 VanDerWaalsContact C-N 3.32Å; T185-F187 HydrophobicContact CG2-CD1 4.15Å; T185-F187 HydrophobicContact CG2-CE1 3.98Å; T185-F187 HydrophobicContact CG2-CG 4.49Å; T185-F187 HydrophobicContact CG2-CZ 4.17Å; T185-F187 WeakPolarHBondContact O-CD2 3.28Å; T185-F187 WeakPolarHBondContact O-CE2 3.17Å; T185-F187 PolarHBondContact O-N 2.82Å; F187-L190 PolarHBondContact O-N 3.49Å; F187-E191 WeakPolarHBondContact O-CB 3.3Å; F187-E191 PolarHBondContact O-N 2.87Å
188G60.8Low62Low41 Ų41101.7 Ų101.742%0.42352%0.521SS..Hα-helixtrans-63.1-43.6177.500000113E186 L190 Q192E186-G188 PolarHBondContact O-N 2.81Å; G188-L190 VanDerWaalsContact C-N 3.31Å; G188-L190 PolarHBondContact O-N 3.01Å; G188-Q192 WeakPolarHBondContact O-CB 3.45Å; G188-Q192 PolarHBondContact O-N 3.5Å
189E62.4Low64Low94 Ų9499.6 Ų99.644%0.43951%0.508SS..Hα-helixtrans-69.8-30.6176-62.3-165.1149.800112.4E186 R193E186-E189 HydrophobicContact CB-CB 4.44Å; E186-E189 HydrophobicContact CB-CG 4.2Å; E186-E189 PolarHBondContact O-N 3.29Å; E186-E189 WeakPolarHBondContact OE2-CG 3.35Å; E189-R193 VanDerWaalsContact CB-NH2 3.34Å; E189-R193 WeakPolarHBondContact O-CB 3.33Å; E189-R193 WeakPolarHBondContact O-CG 3.3Å; E189-R193 PolarHBondContact O-N 2.82Å; E189-R193 PolarHBondContact O-NE 2.84Å; E189-R193 IonicContact OE2-CZ 2.81Å; E189-R193 IonicContact OE2-NH2 3.37Å; E189-R193 PolarHBondContact OE2-NH2 2.82Å
190L66.4Low66Low89 Ų8998.4 Ų98.447%0.46649%0.491SS..Hα-helixtrans-71.6-43177.3-175.463.2000111.3E186 F187 G188 R193 T194E186-L190 PolarHBondContact O-N 3.24Å; F187-L190 PolarHBondContact O-N 3.49Å; G188-L190 VanDerWaalsContact C-N 3.31Å; G188-L190 PolarHBondContact O-N 3.01Å; L190-R193 PolarHBondContact O-N 3.41Å; L190-T194 VanDerWaalsContact O-CB 3.28Å; L190-T194 WeakPolarHBondContact O-CB 3.25Å; L190-T194 PolarHBondContact O-N 2.73Å; L190-T194 PolarHBondContact O-OG1 3.32Å
191E69.6Low68.1Low134 Ų13496.9 Ų96.963%0.62648%0.478SS*.Hα-helixtrans-59.4-48.1174.1-174.3-172.9171.900110.2F187 R193 T194 K195F187-E191 WeakPolarHBondContact O-CB 3.3Å; F187-E191 PolarHBondContact O-N 2.87Å; E191-R193 PolarHBondContact O-N 2.98Å; E191-T194 PolarHBondContact O-N 3.05Å; E191-K195 VanDerWaalsContact O-CB 3.25Å; E191-K195 WeakPolarHBondContact O-CB 3.41Å; E191-K195 PolarHBondContact O-N 3.24Å
192Q64.3Low70.3Confident122 Ų12299 Ų9957%0.5749%0.489SS*.Hα-helixtrans-63-46.6-179.5-172.7156.4-3.300111.9G188 T194 K195 E196G188-Q192 WeakPolarHBondContact O-CB 3.45Å; G188-Q192 PolarHBondContact O-N 3.5Å; Q192-T194 VanDerWaalsContact C-N 3.33Å; Q192-T194 PolarHBondContact O-N 2.81Å; Q192-K195 PolarHBondContact O-N 2.87Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.49Å; Q192-E196 WeakPolarHBondContact O-CB 3.38Å; Q192-E196 VanDerWaalsContact O-CG 3.26Å; Q192-E196 WeakPolarHBondContact O-CG 3.42Å; Q192-E196 PolarHBondContact O-N 3.33Å
193R69.9Low72.4Confident129 Ų12997.3 Ų97.349%0.48748%0.482SS..Hα-helixtrans-61.9-39.2174.9-80.3-176.7-85.3-144.2-6.7112.8E189 L190 E191 K197E189-R193 VanDerWaalsContact CB-NH2 3.34Å; E189-R193 WeakPolarHBondContact O-CB 3.33Å; E189-R193 WeakPolarHBondContact O-CG 3.3Å; E189-R193 PolarHBondContact O-N 2.82Å; E189-R193 PolarHBondContact O-NE 2.84Å; E189-R193 IonicContact OE2-CZ 2.81Å; E189-R193 IonicContact OE2-NH2 3.37Å; E189-R193 PolarHBondContact OE2-NH2 2.82Å; L190-R193 PolarHBondContact O-N 3.41Å; E191-R193 PolarHBondContact O-N 2.98Å; R193-K197 WeakPolarHBondContact O-CG 3.12Å; R193-K197 PolarHBondContact O-N 3.27Å
194T67.5Low74.1Confident81 Ų81103.3 Ų103.350%0.49750%0.503SS..Hα-helixtrans-67.6-44.2178.5-57.70000110.6L190 E191 Q192 K197 L198L190-T194 VanDerWaalsContact O-CB 3.28Å; L190-T194 WeakPolarHBondContact O-CB 3.25Å; L190-T194 PolarHBondContact O-N 2.73Å; L190-T194 PolarHBondContact O-OG1 3.32Å; E191-T194 PolarHBondContact O-N 3.05Å; Q192-T194 VanDerWaalsContact C-N 3.33Å; Q192-T194 PolarHBondContact O-N 2.81Å; T194-K197 PolarHBondContact O-N 2.94Å; T194-L198 WeakPolarHBondContact O-CB 3.25Å; T194-L198 PolarHBondContact O-N 2.88Å
195K76.9Confident75.8Confident136 Ų136100.7 Ų100.759%0.59150%0.495SS*.Hα-helixtrans-62.4-43.7176.6-171.8176.2-177175.60111.9E191 Q192 L198 E199E191-K195 VanDerWaalsContact O-CB 3.25Å; E191-K195 WeakPolarHBondContact O-CB 3.41Å; E191-K195 PolarHBondContact O-N 3.24Å; Q192-K195 PolarHBondContact O-N 2.87Å; K195-L198 PolarHBondContact O-N 3.06Å; K195-E199 WeakPolarHBondContact O-CB 3.12Å; K195-E199 PolarHBondContact O-N 3.44Å
196E82.6Confident77.5Confident109 Ų109102.2 Ų102.251%0.50951%0.508SS..Hα-helixtrans-61.4-43.9175.9-76.5171.1-173.600112Q192 E199 A200Q192-E196 WeakPolarHBondContact CG-OE1 3.49Å; Q192-E196 WeakPolarHBondContact O-CB 3.38Å; Q192-E196 VanDerWaalsContact O-CG 3.26Å; Q192-E196 WeakPolarHBondContact O-CG 3.42Å; Q192-E196 PolarHBondContact O-N 3.33Å; E196-E199 PolarHBondContact O-N 3.5Å; E196-A200 VanDerWaalsContact O-CB 3.29Å; E196-A200 WeakPolarHBondContact O-CB 3.35Å; E196-A200 PolarHBondContact O-N 2.84Å
197K84.3Confident79Confident157 Ų157101.7 Ų101.768%0.68351%0.505SS*.Hα-helixtrans-63-41.7175.1-75.2177.4-178.6-178.70112R193 T194 A200 A201R193-K197 WeakPolarHBondContact O-CG 3.12Å; R193-K197 PolarHBondContact O-N 3.27Å; T194-K197 PolarHBondContact O-N 2.94Å; K197-A200 PolarHBondContact O-N 3.14Å; K197-A201 WeakPolarHBondContact O-CB 3.12Å; K197-A201 PolarHBondContact O-N 2.94Å
198L84.6Confident80.6Confident124 Ų124106.2 Ų106.265%0.64953%0.527SS*.Hα-helixtrans-65.6-45.7179.1-159.787.8000111.4T194 K195 A200 A201 K202T194-L198 WeakPolarHBondContact O-CB 3.25Å; T194-L198 PolarHBondContact O-N 2.88Å; K195-L198 PolarHBondContact O-N 3.06Å; L198-A200 VanDerWaalsContact C-N 3.35Å; L198-A200 PolarHBondContact O-N 2.94Å; L198-A201 PolarHBondContact O-N 2.92Å; L198-K202 VanDerWaalsContact O-CB 3.31Å; L198-K202 WeakPolarHBondContact O-CB 3.45Å; L198-K202 PolarHBondContact O-N 2.98Å
199E87.4Confident82.2Confident97 Ų97108.3 Ų108.345%0.45353%0.528SS..Hα-helixtrans-63.7-39.7176.1-80-63.8152.200111.7K195 E196 K202 K203K195-E199 WeakPolarHBondContact O-CB 3.12Å; K195-E199 PolarHBondContact O-N 3.44Å; E196-E199 PolarHBondContact O-N 3.5Å; E199-K202 PolarHBondContact O-N 3.26Å; E199-K202 IonicContact OE1-NZ 3.27Å; E199-K203 WeakPolarHBondContact O-CB 3.35Å; E199-K203 PolarHBondContact O-N 2.85Å
200A88.3Confident83.8Confident47 Ų47107.2 Ų107.239%0.38853%0.527SS..Hα-helixtrans-63.1-43.8174.200000112.2E196 K197 L198 K203 R204E196-A200 VanDerWaalsContact O-CB 3.29Å; E196-A200 WeakPolarHBondContact O-CB 3.35Å; E196-A200 PolarHBondContact O-N 2.84Å; K197-A200 PolarHBondContact O-N 3.14Å; L198-A200 VanDerWaalsContact C-N 3.35Å; L198-A200 PolarHBondContact O-N 2.94Å; A200-K203 PolarHBondContact O-N 2.85Å; A200-R204 WeakPolarHBondContact O-CG 3.38Å; A200-R204 PolarHBondContact O-N 3.2Å; A200-R204 VanDerWaalsContact O-N 3.09Å
201A87.2Confident85.2Confident52 Ų52107.6 Ų107.643%0.4353%0.527SS..Hα-helixtrans-63.9-47.1176.900000111.4K197 L198 K203 R204 T205K197-A201 WeakPolarHBondContact O-CB 3.12Å; K197-A201 PolarHBondContact O-N 2.94Å; L198-A201 PolarHBondContact O-N 2.92Å; A201-K203 VanDerWaalsContact C-N 3.31Å; A201-K203 PolarHBondContact O-N 3.13Å; A201-R204 PolarHBondContact O-N 2.99Å; A201-T205 PolarHBondContact O-N 2.83Å; A201-T205 PolarHBondContact O-OG1 3.48Å
202K92.3Very high86.4Confident133 Ų133106.5 Ų106.558%0.57853%0.525SS*.Hα-helixtrans-56.8-43.2175.8-178.1-177.5175-171.60111.9L198 E199 S206L198-K202 VanDerWaalsContact O-CB 3.31Å; L198-K202 WeakPolarHBondContact O-CB 3.45Å; L198-K202 PolarHBondContact O-N 2.98Å; E199-K202 PolarHBondContact O-N 3.26Å; E199-K202 IonicContact OE1-NZ 3.27Å; K202-S206 WeakPolarHBondContact O-CB 3.5Å; K202-S206 PolarHBondContact O-N 2.98Å
203K91.6Very high87.9Confident139 Ų139107.3 Ų107.360%0.60453%0.526SS*.Hα-helixtrans-64-43177.6-172175.8-179.8179.30112.1E199 A200 A201 S206 Q207E199-K203 WeakPolarHBondContact O-CB 3.35Å; E199-K203 PolarHBondContact O-N 2.85Å; A200-K203 PolarHBondContact O-N 2.85Å; A201-K203 VanDerWaalsContact C-N 3.31Å; A201-K203 PolarHBondContact O-N 3.13Å; K203-S206 PolarHBondContact O-N 3.25Å; K203-Q207 WeakPolarHBondContact O-CG 3.19Å; K203-Q207 PolarHBondContact O-N 3.23Å
204R90.7Very high89.1Confident172 Ų172105.9 Ų105.965%0.64953%0.528SS*.Hα-helixtrans-61.4-50.5176.7-73.1177.6-174.51781.7111.6A200 A201 S206 Q207 E208A200-R204 WeakPolarHBondContact O-CG 3.38Å; A200-R204 PolarHBondContact O-N 3.2Å; A200-R204 VanDerWaalsContact O-N 3.09Å; A201-R204 PolarHBondContact O-N 2.99Å; R204-S206 VanDerWaalsContact C-N 3.28Å; R204-S206 PolarHBondContact O-N 3.19Å; R204-Q207 WeakPolarHBondContact O-CB 3.38Å; R204-Q207 PolarHBondContact O-N 3.03Å; R204-Q207 VanDerWaalsContact O-N 3.07Å; R204-E208 PolarHBondContact O-N 2.86Å
205T89.8Confident90.4Very high76 Ų76109.4 Ų109.447%0.46653%0.532SS..Hα-helixtrans-60.6-39.4177.6-54.40000111.7A201 Q207 E208 I209A201-T205 PolarHBondContact O-N 2.83Å; A201-T205 PolarHBondContact O-OG1 3.48Å; T205-Q207 VanDerWaalsContact C-N 3.32Å; T205-Q207 PolarHBondContact O-N 3.49Å; T205-E208 PolarHBondContact O-N 3.25Å; T205-I209 HydrophobicContact CG2-CD1 4.06Å; T205-I209 VanDerWaalsContact O-CG1 3.27Å; T205-I209 WeakPolarHBondContact O-CG1 3.48Å; T205-I209 PolarHBondContact O-N 3.11Å
206S91.5Very high91.3Very high68 Ų68108.9 Ų108.948%0.47654%0.535SS..Hα-helixtrans-64.3-36.2175.6-171.60000112.8K202 K203 R204 T210K202-S206 WeakPolarHBondContact O-CB 3.5Å; K202-S206 PolarHBondContact O-N 2.98Å; K203-S206 PolarHBondContact O-N 3.25Å; R204-S206 VanDerWaalsContact C-N 3.28Å; R204-S206 PolarHBondContact O-N 3.19Å; S206-T210 PolarHBondContact O-N 3.46Å; S206-T210 VanDerWaalsContact O-N 3.14Å; S206-T210 PolarHBondContact O-OG1 3.31Å
207Q92.9Very high91.9Very high115 Ų115109.9 Ų109.954%0.53754%0.538SS..Hα-helixtrans-67.9-46.1175.8-75.7173.8-27.900111.1K203 R204 T205 I209 T210 E211K203-Q207 WeakPolarHBondContact O-CG 3.19Å; K203-Q207 PolarHBondContact O-N 3.23Å; R204-Q207 WeakPolarHBondContact O-CB 3.38Å; R204-Q207 PolarHBondContact O-N 3.03Å; R204-Q207 VanDerWaalsContact O-N 3.07Å; T205-Q207 VanDerWaalsContact C-N 3.32Å; T205-Q207 PolarHBondContact O-N 3.49Å; Q207-I209 VanDerWaalsContact C-N 3.34Å; Q207-I209 PolarHBondContact O-N 2.89Å; Q207-T210 WeakPolarHBondContact O-CB 3.19Å; Q207-T210 PolarHBondContact O-N 3.35Å; Q207-T210 VanDerWaalsContact O-N 3.09Å; Q207-E211 PolarHBondContact O-N 3.5Å
208E92.5Very high92.4Very high116 Ų116104.5 Ų104.554%0.54252%0.523SS..Hα-helixtrans-58.9-43.7175.9-72.3172.4-168.900111.9R204 T205 T210 E211 L212R204-E208 PolarHBondContact O-N 2.86Å; T205-E208 PolarHBondContact O-N 3.25Å; E208-T210 VanDerWaalsContact C-N 3.28Å; E208-T210 PolarHBondContact O-N 2.8Å; E208-E211 PolarHBondContact O-N 2.86Å; E208-L212 WeakPolarHBondContact O-CB 3.42Å; E208-L212 VanDerWaalsContact O-CG 3.29Å; E208-L212 WeakPolarHBondContact O-CG 3.26Å; E208-L212 PolarHBondContact O-N 2.88Å
209I94.4Very high92.9Very high85 Ų85101.5 Ų101.544%0.43651%0.512SS..Hα-helixtrans-60.6-40.5175.6-71167.7000111.1T205 Q207 K213T205-I209 HydrophobicContact CG2-CD1 4.06Å; T205-I209 VanDerWaalsContact O-CG1 3.27Å; T205-I209 WeakPolarHBondContact O-CG1 3.48Å; T205-I209 PolarHBondContact O-N 3.11Å; Q207-I209 VanDerWaalsContact C-N 3.34Å; Q207-I209 PolarHBondContact O-N 2.89Å; I209-K213 HydrophobicContact CG2-CD 4.21Å; I209-K213 WeakPolarHBondContact O-CB 3.42Å; I209-K213 VanDerWaalsContact O-CG 3.3Å; I209-K213 WeakPolarHBondContact O-CG 3.46Å; I209-K213 PolarHBondContact O-N 2.89Å
210T94.3Very high93.3Very high71 Ų71105.4 Ų105.444%0.43652%0.523SS..Hα-helixtrans-67.2-46.3-180-55.10000110.5S206 Q207 E208 L212 K213 D214S206-T210 PolarHBondContact O-N 3.46Å; S206-T210 VanDerWaalsContact O-N 3.14Å; S206-T210 PolarHBondContact O-OG1 3.31Å; Q207-T210 WeakPolarHBondContact O-CB 3.19Å; Q207-T210 PolarHBondContact O-N 3.35Å; Q207-T210 VanDerWaalsContact O-N 3.09Å; E208-T210 VanDerWaalsContact C-N 3.28Å; E208-T210 PolarHBondContact O-N 2.8Å; T210-L212 VanDerWaalsContact C-N 3.35Å; T210-L212 PolarHBondContact O-N 2.72Å; T210-K213 WeakPolarHBondContact O-CB 3.43Å; T210-K213 PolarHBondContact O-N 3.1Å; T210-K213 VanDerWaalsContact O-N 3.16Å; T210-D214 PolarHBondContact O-N 2.76Å
211E96.1Very high93.6Very high97 Ų97108.2 Ų108.245%0.45353%0.528SS..Hα-helixtrans-62.1-42178.1-172.1178.4178.900112.1Q207 E208 K213 D214 R215Q207-E211 PolarHBondContact O-N 3.5Å; E208-E211 PolarHBondContact O-N 2.86Å; E211-K213 VanDerWaalsContact C-N 3.34Å; E211-K213 PolarHBondContact O-N 3.3Å; E211-D214 PolarHBondContact O-N 3.19Å; E211-R215 WeakPolarHBondContact O-CB 3.21Å; E211-R215 WeakPolarHBondContact O-CG 3.31Å; E211-R215 PolarHBondContact O-N 3.01Å; E211-R215 IonicContact OE1-CZ 3.2Å; E211-R215 VanDerWaalsContact OE1-CZ 3.3Å; E211-R215 IonicContact OE1-NE 3.38Å; E211-R215 PolarHBondContact OE1-NE 3.31Å; E211-R215 IonicContact OE1-NH2 3.85Å; E211-R215 PolarHBondContact OE1-NH2 2.86Å
212L94.9Very high94Very high111 Ų111110.8 Ų110.858%0.58153%0.534SS*.Hα-helixtrans-64.9-37.4175.6-72.8172.3000112.1E208 T210 L216E208-L212 WeakPolarHBondContact O-CB 3.42Å; E208-L212 VanDerWaalsContact O-CG 3.29Å; E208-L212 WeakPolarHBondContact O-CG 3.26Å; E208-L212 PolarHBondContact O-N 2.88Å; T210-L212 VanDerWaalsContact C-N 3.35Å; T210-L212 PolarHBondContact O-N 2.72Å; L212-L216 VanDerWaalsContact O-CB 3.28Å; L212-L216 WeakPolarHBondContact O-CB 3.27Å; L212-L216 PolarHBondContact O-N 2.76Å
213K95.5Very high94.2Very high139 Ų139108.3 Ų108.360%0.60453%0.526SS*.Hα-helixtrans-64.1-42.1174.1-80.2177.4178.2-178.90111.8I209 T210 E211 L216 K217I209-K213 HydrophobicContact CG2-CD 4.21Å; I209-K213 WeakPolarHBondContact O-CB 3.42Å; I209-K213 VanDerWaalsContact O-CG 3.3Å; I209-K213 WeakPolarHBondContact O-CG 3.46Å; I209-K213 PolarHBondContact O-N 2.89Å; T210-K213 WeakPolarHBondContact O-CB 3.43Å; T210-K213 PolarHBondContact O-N 3.1Å; T210-K213 VanDerWaalsContact O-N 3.16Å; E211-K213 VanDerWaalsContact C-N 3.34Å; E211-K213 PolarHBondContact O-N 3.3Å; K213-L216 PolarHBondContact O-N 3.29Å; K213-K217 WeakPolarHBondContact O-CB 3.25Å; K213-K217 PolarHBondContact O-N 2.97Å
214D95.8Very high94.3Very high99 Ų99106.1 Ų106.153%0.52952%0.522SS..Hα-helixtrans-67.4-43.2179-69.9-21.3000111.4T210 E211 L216 K217 A218T210-D214 PolarHBondContact O-N 2.76Å; E211-D214 PolarHBondContact O-N 3.19Å; D214-L216 VanDerWaalsContact C-N 3.33Å; D214-L216 PolarHBondContact O-N 3.13Å; D214-K217 PolarHBondContact O-N 2.67Å; D214-A218 PolarHBondContact O-N 2.82Å
215R94.4Very high94.4Very high155 Ų155103.5 Ų103.559%0.58552%0.516SS*.Hα-helixtrans-61.3-40.9173.5-71.7177.3-176.2-163.30.9112.1E211 A218 S219E211-R215 WeakPolarHBondContact O-CB 3.21Å; E211-R215 WeakPolarHBondContact O-CG 3.31Å; E211-R215 PolarHBondContact O-N 3.01Å; E211-R215 IonicContact OE1-CZ 3.2Å; E211-R215 VanDerWaalsContact OE1-CZ 3.3Å; E211-R215 IonicContact OE1-NE 3.38Å; E211-R215 PolarHBondContact OE1-NE 3.31Å; E211-R215 IonicContact OE1-NH2 3.85Å; E211-R215 PolarHBondContact OE1-NH2 2.86Å; R215-A218 PolarHBondContact O-N 3.04Å; R215-S219 WeakPolarHBondContact O-CB 3.42Å; R215-S219 PolarHBondContact O-N 2.85Å
216L95.5Very high94.7Very high124 Ų124104.6 Ų104.665%0.64952%0.519SS*.Hα-helixtrans-64.7-41.4176.4-177.365.6000111.5L212 K213 D214 S219 R220L212-L216 VanDerWaalsContact O-CB 3.28Å; L212-L216 WeakPolarHBondContact O-CB 3.27Å; L212-L216 PolarHBondContact O-N 2.76Å; K213-L216 PolarHBondContact O-N 3.29Å; D214-L216 VanDerWaalsContact C-N 3.33Å; D214-L216 PolarHBondContact O-N 3.13Å; L216-S219 PolarHBondContact O-N 2.74Å; L216-R220 WeakPolarHBondContact O-CB 3.27Å; L216-R220 PolarHBondContact O-N 2.57Å
217K95.9Very high94.8Very high131 Ų131107.9 Ų107.957%0.5753%0.525SS*.Hα-helixtrans-62.6-48.8176.3-175.3-178.2173.3-1700111.2K213 D214 S219 R220 E221K213-K217 WeakPolarHBondContact O-CB 3.25Å; K213-K217 PolarHBondContact O-N 2.97Å; D214-K217 PolarHBondContact O-N 2.67Å; K217-S219 VanDerWaalsContact C-N 3.35Å; K217-S219 PolarHBondContact O-N 2.73Å; K217-R220 WeakPolarHBondContact O-CB 3.3Å; K217-R220 PolarHBondContact O-N 2.92Å; K217-R220 VanDerWaalsContact O-N 3.15Å; K217-E221 WeakPolarHBondContact CE-OE1 3.35Å; K217-E221 WeakPolarHBondContact O-CG 3.38Å; K217-E221 PolarHBondContact O-N 2.92Å
218A95.2Very high94.8Very high44 Ų44104 Ų10436%0.36452%0.516SS..Hα-helixtrans-60.4-43.4177.500000112D214 R215 R220 E221 N222D214-A218 PolarHBondContact O-N 2.82Å; R215-A218 PolarHBondContact O-N 3.04Å; A218-R220 VanDerWaalsContact C-N 3.32Å; A218-R220 PolarHBondContact O-N 2.9Å; A218-E221 PolarHBondContact O-N 3.42Å; A218-N222 VanDerWaalsContact O-CG 3.3Å; A218-N222 PolarHBondContact O-N 2.81Å
219S95.5Very high94.8Very high60 Ų60102.9 Ų102.942%0.4251%0.51SS..Hα-helixtrans-61.2-40.9175.3-177.30000112R215 L216 K217 N222 I223R215-S219 WeakPolarHBondContact O-CB 3.42Å; R215-S219 PolarHBondContact O-N 2.85Å; L216-S219 PolarHBondContact O-N 2.74Å; K217-S219 VanDerWaalsContact C-N 3.35Å; K217-S219 PolarHBondContact O-N 2.73Å; S219-N222 PolarHBondContact O-N 2.83Å; S219-I223 VanDerWaalsContact O-CG1 3.28Å; S219-I223 WeakPolarHBondContact O-CG1 3.31Å; S219-I223 PolarHBondContact O-N 2.72Å
220R95.7Very high94.7Very high179 Ų179103.3 Ų103.368%0.67551%0.512SS*.Hα-helixtrans-65.7-39.3177.2-168.7174.3-176.4173.20.2112.5L216 K217 A218 I223 N224L216-R220 WeakPolarHBondContact O-CB 3.27Å; L216-R220 PolarHBondContact O-N 2.57Å; K217-R220 WeakPolarHBondContact O-CB 3.3Å; K217-R220 PolarHBondContact O-N 2.92Å; K217-R220 VanDerWaalsContact O-N 3.15Å; A218-R220 VanDerWaalsContact C-N 3.32Å; A218-R220 PolarHBondContact O-N 2.9Å; R220-I223 PolarHBondContact O-N 2.87Å; R220-N224 VanDerWaalsContact O-CG 3.24Å; R220-N224 PolarHBondContact O-N 3.37Å; R220-N224 PolarHBondContact O-ND2 2.86Å
221E94.8Very high94.5Very high107 Ų107107.6 Ų107.650%0.552%0.521SS..Hα-helixtrans-64.4-44.4174.7-72.9171-177.400111.3K217 A218 I223 N224 H225K217-E221 WeakPolarHBondContact CE-OE1 3.35Å; K217-E221 WeakPolarHBondContact O-CG 3.38Å; K217-E221 PolarHBondContact O-N 2.92Å; A218-E221 PolarHBondContact O-N 3.42Å; E221-I223 PolarHBondContact O-N 3.02Å; E221-N224 PolarHBondContact O-N 3.17Å; E221-H225 PolarHBondContact O-N 2.75Å
222N95.3Very high94.1Very high105 Ų105109.6 Ų109.656%0.56153%0.528SS*.Hα-helixtrans-61.4-43.5175.1-69.9-13.2000112.2A218 S219 N224 H225 L226A218-N222 VanDerWaalsContact O-CG 3.3Å; A218-N222 PolarHBondContact O-N 2.81Å; S219-N222 PolarHBondContact O-N 2.83Å; N222-N224 VanDerWaalsContact C-N 3.3Å; N222-N224 PolarHBondContact O-N 2.75Å; N222-H225 PolarHBondContact O-N 2.79Å; N222-L226 WeakPolarHBondContact O-CG 3.24Å; N222-L226 PolarHBondContact O-N 2.81Å
223I95.5Very high93.6Very high81 Ų81110.2 Ų110.242%0.41553%0.531SS..Hα-helixtrans-60.4-42.3175.7-71.5165.4000110.7S219 R220 E221 K227S219-I223 VanDerWaalsContact O-CG1 3.28Å; S219-I223 WeakPolarHBondContact O-CG1 3.31Å; S219-I223 PolarHBondContact O-N 2.72Å; R220-I223 PolarHBondContact O-N 2.87Å; E221-I223 PolarHBondContact O-N 3.02Å; I223-K227 HydrophobicContact CG2-CD 4.15Å; I223-K227 HydrophobicContact CG2-CG 4.46Å; I223-K227 WeakPolarHBondContact O-CB 3.37Å; I223-K227 VanDerWaalsContact O-CG 3.29Å; I223-K227 WeakPolarHBondContact O-CG 3.12Å; I223-K227 PolarHBondContact O-N 3.21Å
224N93.6Very high93Very high94 Ų94109.8 Ų109.850%0.50353%0.531SS..Hα-helixtrans-67.5-38.4178.6-71.1-19.8000112.2R220 E221 N222 G228R220-N224 VanDerWaalsContact O-CG 3.24Å; R220-N224 PolarHBondContact O-N 3.37Å; R220-N224 PolarHBondContact O-ND2 2.86Å; E221-N224 PolarHBondContact O-N 3.17Å; N222-N224 VanDerWaalsContact C-N 3.3Å; N222-N224 PolarHBondContact O-N 2.75Å; N224-G228 PolarHBondContact O-N 3.04Å
225H94Very high92.1Very high116 Ų116109.7 Ų109.754%0.53753%0.528SS..Hα-helixtrans-59.9-54.2174-177.4-80.8000111.2E221 N222 K227 G228 E229E221-H225 PolarHBondContact O-N 2.75Å; N222-H225 PolarHBondContact O-N 2.79Å; H225-K227 VanDerWaalsContact C-N 3.32Å; H225-K227 PolarHBondContact O-N 3.24Å; H225-G228 WeakPolarHBondContact O-CA 3.15Å; H225-G228 PolarHBondContact O-N 3.24Å; H225-E229 IonicContact CE1-OE1 3.6Å; H225-E229 PolarHBondContact CE1-OE1 2.86Å; H225-E229 IonicContact CE1-OE2 3.71Å; H225-E229 PolarHBondContact CE1-OE2 2.94Å; H225-E229 VanDerWaalsContact CE1-OE2 3.27Å; H225-E229 IonicContact ND1-OE2 2.95Å; H225-E229 PolarHBondContact ND1-OE2 2.81Å; H225-E229 PolarHBondContact O-N 3.09Å
226L94.6Very high91Very high99 Ų99107.3 Ų107.352%0.51853%0.527SS..Hα-helixtrans-60.1-41.1179.8-70.1169.9000112N222 G228 E229 I230N222-L226 WeakPolarHBondContact O-CG 3.24Å; N222-L226 PolarHBondContact O-N 2.81Å; L226-G228 VanDerWaalsContact C-N 3.28Å; L226-G228 PolarHBondContact O-N 3.41Å; L226-E229 PolarHBondContact O-N 2.76Å; L226-I230 WeakPolarHBondContact O-CG1 3.48Å; L226-I230 PolarHBondContact O-N 2.78Å
227K94.1Very high89.3Confident138 Ų138103.4 Ų103.460%0.652%0.516SS*.Hα-helixtrans-60.3-37.9173.3-79.5-177.7176.5-172.10112.5I223 H225 R231I223-K227 HydrophobicContact CG2-CD 4.15Å; I223-K227 HydrophobicContact CG2-CG 4.46Å; I223-K227 WeakPolarHBondContact O-CB 3.37Å; I223-K227 VanDerWaalsContact O-CG 3.29Å; I223-K227 WeakPolarHBondContact O-CG 3.12Å; I223-K227 PolarHBondContact O-N 3.21Å; H225-K227 VanDerWaalsContact C-N 3.32Å; H225-K227 PolarHBondContact O-N 3.24Å; K227-R231 PolarHBondContact O-N 3.41Å
228G92.9Very high87.5Confident34 Ų34103.1 Ų103.135%0.35152%0.52SS..Hα-helixtrans-66.8-39.9176.100000112.8N224 H225 L226 K232N224-G228 PolarHBondContact O-N 3.04Å; H225-G228 WeakPolarHBondContact O-CA 3.15Å; H225-G228 PolarHBondContact O-N 3.24Å; L226-G228 VanDerWaalsContact C-N 3.28Å; L226-G228 PolarHBondContact O-N 3.41Å; G228-K232 WeakPolarHBondContact O-CG 3.43Å; G228-K232 PolarHBondContact O-N 3.35Å
229E93Very high85.6Confident91 Ų91108.6 Ų108.643%0.42554%0.538SS..Hα-helixtrans-66.8-43.8175.6-70-176.1127.400112.3H225 L226 R231 K232 L233H225-E229 IonicContact CE1-OE1 3.6Å; H225-E229 PolarHBondContact CE1-OE1 2.86Å; H225-E229 IonicContact CE1-OE2 3.71Å; H225-E229 PolarHBondContact CE1-OE2 2.94Å; H225-E229 VanDerWaalsContact CE1-OE2 3.27Å; H225-E229 IonicContact ND1-OE2 2.95Å; H225-E229 PolarHBondContact ND1-OE2 2.81Å; H225-E229 PolarHBondContact O-N 3.09Å; L226-E229 PolarHBondContact O-N 2.76Å; E229-R231 VanDerWaalsContact C-N 3.3Å; E229-R231 PolarHBondContact O-N 3.46Å; E229-K232 PolarHBondContact O-N 3.45Å; E229-L233 WeakPolarHBondContact O-CG 3.43Å; E229-L233 PolarHBondContact O-N 2.97Å; E229-L233 VanDerWaalsContact O-N 3.08Å
230I92.1Very high83.6Confident94 Ų94114.6 Ų114.648%0.48256%0.557SS.*Hα-helixtrans-56.3-47175.9-70.8160.8000110.4L226 K232 L233 E234L226-I230 WeakPolarHBondContact O-CG1 3.48Å; L226-I230 PolarHBondContact O-N 2.78Å; I230-K232 VanDerWaalsContact C-N 3.34Å; I230-K232 PolarHBondContact O-N 2.81Å; I230-L233 PolarHBondContact O-N 2.92Å; I230-L233 VanDerWaalsContact O-N 3.16Å; I230-E234 HydrophobicContact CG2-CG 4.41Å; I230-E234 WeakPolarHBondContact O-CG 3.47Å; I230-E234 PolarHBondContact O-N 2.97Å
231R90.4Very high81.4Confident162 Ų162114 Ų11461%0.61156%0.562SS**Hα-helixtrans-60.9-39.9179.7-176.3178.5171.3173.44.1113.1K227 E229 E234 E235K227-R231 PolarHBondContact O-N 3.41Å; E229-R231 VanDerWaalsContact C-N 3.3Å; E229-R231 PolarHBondContact O-N 3.46Å; R231-E234 PolarHBondContact O-N 2.82Å; R231-E235 IonicContact CZ-OE1 2.81Å; R231-E235 IonicContact NE-OE1 3.81Å; R231-E235 PolarHBondContact NE-OE1 3.37Å; R231-E235 IonicContact NH2-OE1 2.72Å; R231-E235 WeakPolarHBondContact O-CG 3.42Å; R231-E235 PolarHBondContact O-N 3Å
232K87.9Confident79.1Confident138 Ų138120.6 Ų120.660%0.659%0.592SS**Hα-helixtrans-63.9-41.6175.9-72177.4-179.6179.70111.8G228 E229 I230 E234 E235 D236G228-K232 WeakPolarHBondContact O-CG 3.43Å; G228-K232 PolarHBondContact O-N 3.35Å; E229-K232 PolarHBondContact O-N 3.45Å; I230-K232 VanDerWaalsContact C-N 3.34Å; I230-K232 PolarHBondContact O-N 2.81Å; K232-E234 VanDerWaalsContact C-N 3.34Å; K232-E235 PolarHBondContact O-N 3.35Å; K232-D236 PolarHBondContact O-N 3.43Å
233L84.5Confident78.3Confident124 Ų124121.4 Ų121.465%0.64959%0.593SS**Hα-helixtrans-67.1-34.3178-69.4171.7000112.6E229 I230 G237E229-L233 WeakPolarHBondContact O-CG 3.43Å; E229-L233 PolarHBondContact O-N 2.97Å; E229-L233 VanDerWaalsContact O-N 3.08Å; I230-L233 PolarHBondContact O-N 2.92Å; I230-L233 VanDerWaalsContact O-N 3.16Å; L233-G237 PolarHBondContact O-N 2.65Å; L233-G237 VanDerWaalsContact O-N 3.1Å
234E81.6Confident77.4Confident131 Ų131123.5 Ų123.561%0.61260%0.603SS**Hα-helixtrans-65.5-43.4172.5-71.7172.5168.300111.4I230 R231 K232 G237 D238I230-E234 HydrophobicContact CG2-CG 4.41Å; I230-E234 WeakPolarHBondContact O-CG 3.47Å; I230-E234 PolarHBondContact O-N 2.97Å; R231-E234 PolarHBondContact O-N 2.82Å; K232-E234 VanDerWaalsContact C-N 3.34Å; E234-G237 PolarHBondContact O-N 2.84Å; E234-D238 PolarHBondContact O-N 2.88Å
235E78Confident76.5Confident97 Ų97125.1 Ų125.145%0.45361%0.608SS.*Hα-helixtrans-66.9-35.7177.6-70.4170.2-172.900112.5R231 K232 H239R231-E235 IonicContact CZ-OE1 2.81Å; R231-E235 IonicContact NE-OE1 3.81Å; R231-E235 PolarHBondContact NE-OE1 3.37Å; R231-E235 IonicContact NH2-OE1 2.72Å; R231-E235 WeakPolarHBondContact O-CG 3.42Å; R231-E235 PolarHBondContact O-N 3Å; K232-E235 PolarHBondContact O-N 3.35Å; E235-H239 PolarHBondContact O-CD2 3.01Å
236D70.5Confident75.5Confident105 Ų105125.6 Ų125.656%0.56161%0.613SS**Hα-helixtrans-76.7-24.8176.9-75.4-22.3000113.7K232K232-D236 PolarHBondContact O-N 3.43Å
237G59.9Low74.3Confident41 Ų41127.3 Ų127.342%0.42362%0.618SS.*Hα-helixtrans-72-38.6176.400000112.7L233 E234 H239 K240L233-G237 PolarHBondContact O-N 2.65Å; L233-G237 VanDerWaalsContact O-N 3.1Å; E234-G237 PolarHBondContact O-N 2.84Å; G237-H239 VanDerWaalsContact C-N 3.3Å; G237-H239 PolarHBondContact O-N 3.24Å; G237-K240 PolarHBondContact O-N 2.91Å
238D58Low72.9Confident125 Ų125126.6 Ų126.667%0.66862%0.62SS**Hα-helixtrans-69.8-27.4-178-14229.4000112.2E234 K240E234-D238 PolarHBondContact O-N 2.88Å; D238-K240 VanDerWaalsContact C-N 3.3Å; D238-K240 PolarHBondContact O-N 3.49Å
239H56.1Low71.5Confident160 Ų160133.2 Ų133.274%0.74164%0.639SS**THydrogen-bonded Turntrans-76.4-7.5176.2-83.7-51.7000115.2E235 G237E235-H239 PolarHBondContact O-CD2 3.01Å; G237-H239 VanDerWaalsContact C-N 3.3Å; G237-H239 PolarHBondContact O-N 3.24Å
240K53.2Low69.9Low186 Ų186136.5 Ų136.581%0.80966%0.655SS**THydrogen-bonded Turntrans-101.1-5177.8-75.3-178.6-179.8171.50114.2G237 D238G237-K240 PolarHBondContact O-N 2.91Å; D238-K240 VanDerWaalsContact C-N 3.3Å; D238-K240 PolarHBondContact O-N 3.49Å
241E50.1Low68Low165 Ų165140 Ų14077%0.77167%0.67SS**  trans-103.717.7177.7-70.6-164.7161.400114
242H45.8Very low66Low246 Ų246138 Ų138100%1.13968%0.675SS**  trans-120.40169.8-91.78.2000113

Retrieved 242 of 242 residues in 66.1 ms (Link to these results)

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