G4LW08_SCHMA Loading...

Actin, putative

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession G4LW08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 375 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
1M36.1Very low62.9Low233 Ų233110.1 Ų110.1100%1.14858%0.583SS**  0103.30-84.4176.8-179.800105.6S3M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 2.9Å
2D47.8Very low65.8Low150 Ų150100.9 Ų100.980%0.80253%0.534SS*.  trans-66.794.2-175.7-66.7-38.3000108.8Y4D2-Y4 HydrophobicContact CB-CD2 4.36Å; D2-Y4 PolarHBondContact O-N 2.71Å
3S44.7Very low68.3Low84 Ų8493.2 Ų93.259%0.58749%0.493SS*.  trans-81.436.9-175.769.50000112.3M1 D5M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 2.9Å; S3-D5 VanDerWaalsContact C-N 3.29Å; S3-D5 PolarHBondContact O-N 3.28Å; S3-D5 VanDerWaalsContact O-N 3.11Å
4Y52.6Low70.4Confident157 Ų15786.5 Ų86.562%0.61646%0.458SS*.  trans-72.4100.4158.8-64.1-77.4000104D2 V6D2-Y4 HydrophobicContact CB-CD2 4.36Å; D2-Y4 PolarHBondContact O-N 2.71Å; Y4-V6 VanDerWaalsContact C-N 3.28Å; Y4-V6 WeakPolarHBondContact O-CA 3.43Å; Y4-V6 PolarHBondContact O-N 3.21Å
5D53.6Low72.3Confident132 Ų13281 Ų8171%0.70643%0.429SS*.  trans-45.4108.1161.7-77.5-42.4000105.1S3 I7S3-D5 VanDerWaalsContact C-N 3.29Å; S3-D5 PolarHBondContact O-N 3.28Å; S3-D5 VanDerWaalsContact O-N 3.11Å; D5-I7 PolarHBondContact O-N 3.01Å
6V53.7Low73.8Confident115 Ų11576.8 Ų76.870%0.69741%0.406SS*.  trans-63.3110.2-166.41780000104.6Y4 T8Y4-V6 VanDerWaalsContact C-N 3.28Å; Y4-V6 WeakPolarHBondContact O-CA 3.43Å; Y4-V6 PolarHBondContact O-N 3.21Å; V6-T8 HydrophobicContact CB-CG2 4.14Å; V6-T8 HydrophobicContact CG1-CG2 3.76Å; V6-T8 WeakPolarHBondContact O-CG2 3.34Å; V6-T8 PolarHBondContact O-N 2.79Å
7I59.5Low75.1Confident57 Ų5773.1 Ų73.129%0.29239%0.391SS..  trans-60.694.3166.7-71170.8000105.2D5 P107 A136 W356D5-I7 PolarHBondContact O-N 3.01Å; I7-P107 HydrophobicContact CB-CG 4.27Å; I7-P107 HydrophobicContact CD1-CG 4.39Å; I7-P107 HydrophobicContact CG1-CG 4.35Å; I7-P107 HydrophobicContact CG2-CB 4.31Å; I7-P107 HydrophobicContact CG2-CG 3.06Å; I7-A136 HydrophobicContact CD1-CB 3.52Å; I7-A136 HydrophobicContact CG1-CB 4.34Å; I7-W356 HydrophobicContact CD1-CB 4.18Å; I7-W356 HydrophobicContact CD1-CG 4.16Å
8T67.5Low76.3Confident113 Ų11369.6 Ų69.669%0.69337%0.372SS*.  trans-87.2-31.1-174.148.60000112.1V6V6-T8 HydrophobicContact CB-CG2 4.14Å; V6-T8 HydrophobicContact CG1-CG2 3.76Å; V6-T8 WeakPolarHBondContact O-CG2 3.34Å; V6-T8 PolarHBondContact O-N 2.79Å
9N88.2Confident77.3Confident64 Ų6466.3 Ų66.334%0.34236%0.357SS..SBendtrans-89.8152-172.3-69-18.9000112.3E105N9-E105 WeakPolarHBondContact CB-O 3.37Å; N9-E105 PolarHBondContact ND2-O 2.82Å
10Q92.6Very high78.3Confident89 Ų8964.2 Ų64.242%0.41635%0.345SS..PPolyproline II helixtrans-60.3125.2-177.9-166.1176.217.100110.6F25 A26 H106Q10-F25 VanDerWaalsContact CD-CB 3.5Å; Q10-F25 HydrophobicContact CG-CB 3.96Å; Q10-A26 WeakPolarHBondContact CG-O 3.37Å; Q10-A26 PolarHBondContact NE2-O 2.82Å; Q10-H106 PolarHBondContact O-ND1 3.19Å
11P96Very high79.1Confident17 Ų1761.1 Ų61.111%0.1133%0.329CS..PPolyproline II helixtrans-60.9144.2179.3-25.133.9000112.9F25 A26 P107 A347 W356P11-F25 WeakPolarHBondContact O-CA 3.45Å; P11-A26 HydrophobicContact CB-CB 4.03Å; P11-A26 HydrophobicContact CG-CB 4.32Å; P11-A26 PolarHBondContact O-N 2.83Å; P11-P107 CarbonylContact C-O 3.59Å; P11-P107 WeakPolarHBondContact CA-O 3.49Å; P11-P107 HydrophobicContact CB-CB 4.24Å; P11-P107 HydrophobicContact CG-CB 4.45Å; P11-P107 HydrophobicContact CG-CG 4.35Å; P11-A347 HydrophobicContact CB-CB 4.09Å; P11-A347 HydrophobicContact CG-CB 4.36Å; P11-W356 HydrophobicContact CB-CH2 3.94Å; P11-W356 HydrophobicContact CB-CZ2 3.83Å; P11-W356 HydrophobicContact CG-CH2 4.44Å; P11-W356 HydrophobicContact CG-CZ2 3.86Å
12V97.3Very high82.1Confident0 Ų050.8 Ų50.80%028%0.277CS..EExtended strand (participates in β ladder)trans-88.5134.1168.4174.80000108.9I14 G24 F25 Y94 L99 H106 P107 V108 L109V12-I14 HydrophobicContact CG1-CD1 4.28Å; V12-I14 HydrophobicContact CG1-CG1 3.85Å; V12-G24 WeakPolarHBondContact CA-O 3.24Å; V12-F25 HydrophobicContact CG2-CD1 4.03Å; V12-F25 HydrophobicContact CG2-CE1 3.89Å; V12-Y94 HydrophobicContact CG1-CE1 4.47Å; V12-Y94 HydrophobicContact CG2-CE1 4.32Å; V12-L99 HydrophobicContact CG1-CD1 3.61Å; V12-L99 HydrophobicContact CG2-CD1 4.11Å; V12-H106 HydrophobicContact CG2-CB 3.87Å; V12-P107 PolarHBondContact N-O 2.98Å; V12-V108 CarbonylContact O-C 3.54Å; V12-V108 WeakPolarHBondContact O-CA 3.34Å; V12-L109 PolarHBondContact O-N 3.28Å
13V98.2Very high84.5Confident0 Ų043.6 Ų43.60%024%0.239CC..EExtended strand (participates in β ladder)trans-110.9121176.2-179.40000108.7A23 G24 A26 L109 W340 A347V13-A23 WeakPolarHBondContact O-CA 3.48Å; V13-G24 PolarHBondContact N-O 3.46Å; V13-G24 PolarHBondContact O-N 3.33Å; V13-A26 HydrophobicContact CG2-CB 4.09Å; V13-L109 HydrophobicContact CG1-CD2 4.19Å; V13-L109 HydrophobicContact CG2-CB 4.35Å; V13-W340 HydrophobicContact CB-CZ2 4.4Å; V13-W340 HydrophobicContact CG1-CG 4.32Å; V13-W340 PolarHBondContact O-NE1 3.08Å; V13-A347 HydrophobicContact CG2-CB 4.22Å
14I98.3Very high87Confident0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-117.7105.7178.8-50.5-179.2000109.2V12 I16 L21 K22 I93 Y94 V108 L109 L110 T111 F128V12-I14 HydrophobicContact CG1-CD1 4.28Å; V12-I14 HydrophobicContact CG1-CG1 3.85Å; I14-I16 HydrophobicContact CG2-CG1 3.9Å; I14-I16 PolarHBondContact O-N 3.22Å; I14-L21 HydrophobicContact CG2-CD1 4.21Å; I14-L21 HydrophobicContact CG2-CD2 4.3Å; I14-L21 HydrophobicContact CG2-CG 4.32Å; I14-K22 CarbonylContact C-O 3.58Å; I14-K22 WeakPolarHBondContact CA-O 3.49Å; I14-I93 HydrophobicContact CD1-CD1 4.14Å; I14-I93 HydrophobicContact CD1-CG2 4.45Å; I14-I93 HydrophobicContact CG2-CD1 3.89Å; I14-Y94 HydrophobicContact CD1-CE2 4.44Å; I14-V108 HydrophobicContact CD1-CG2 3.73Å; I14-V108 HydrophobicContact CG1-CG2 3.99Å; I14-L109 PolarHBondContact N-O 3.29Å; I14-L110 HydrophobicContact CB-CD2 3.89Å; I14-L110 HydrophobicContact CD1-CD2 4.02Å; I14-L110 HydrophobicContact CG1-CD2 4.25Å; I14-T111 PolarHBondContact O-N 3.27Å; I14-F128 HydrophobicContact CD1-CE1 3.99Å; I14-F128 HydrophobicContact CD1-CZ 4.01Å
15D98Very high89.1Confident4 Ų433.5 Ų33.52%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-83.5103.6169.9173.624.8000109.5G17 K22 T111 Q142 W340D15-G17 PolarHBondContact O-N 3.41Å; D15-K22 HydrophobicContact CB-CB 4.15Å; D15-K22 HydrophobicContact CB-CG 4.49Å; D15-K22 PolarHBondContact N-O 3.26Å; D15-K22 PolarHBondContact O-N 2.99Å; D15-K22 WeakPolarHBondContact OD2-CD 3.09Å; D15-K22 IonicContact OD2-NZ 3.67Å; D15-K22 PolarHBondContact OD2-NZ 2.71Å; D15-T111 WeakPolarHBondContact CA-OG1 3.38Å; D15-T111 HydrophobicContact CB-CG2 4.12Å; D15-T111 PolarHBondContact OD1-OG1 2.74Å; D15-Q142 PolarHBondContact OD1-NE2 3.43Å; D15-W340 HydrophobicContact CB-CB 3.97Å; D15-W340 HydrophobicContact CB-CG 4.44Å
16I97.1Very high91.1Very high14 Ų1427.4 Ų27.47%0.07216%0.155CC..EExtended strand (participates in β ladder)trans-87.680.4-175.8-50.8171.3000109.1I14 I75 W90 L110 T111 M124 Q142I14-I16 HydrophobicContact CG2-CG1 3.9Å; I14-I16 PolarHBondContact O-N 3.22Å; I16-I75 HydrophobicContact CG2-CD1 3.46Å; I16-I75 VanDerWaalsContact CG2-CD1 3.46Å; I16-W90 HydrophobicContact CD1-CZ2 4.03Å; I16-L110 HydrophobicContact CD1-CB 4.13Å; I16-L110 HydrophobicContact CD1-CD2 4.26Å; I16-T111 PolarHBondContact N-OG1 3.25Å; I16-M124 HydrophobicContact CD1-SD 4.14Å; I16-Q142 PolarHBondContact O-NE2 3.38Å
17G95.6Very high93Very high14 Ų1423.9 Ų23.914%0.14414%0.142CC..  trans-83.9150.4172.300000112.8D15 G19 I20 N37D15-G17 PolarHBondContact O-N 3.41Å; G17-G19 PolarHBondContact O-N 3.04Å; G17-I20 CarbonylContact C-O 3.58Å; G17-I20 WeakPolarHBondContact CA-O 3.45Å; G17-I20 PolarHBondContact N-O 3.29Å; G17-N37 WeakPolarHBondContact O-CB 3.34Å; G17-N37 PolarHBondContact O-ND2 3.35Å
18T96.9Very high94.6Very high9 Ų923.2 Ų23.26%0.05514%0.139CC..SBendtrans-61.7-41.4176.4-56.80000113.1I75 G78T18-I75 HydrophobicContact CG2-CB 4.27Å; T18-I75 HydrophobicContact CG2-CG2 3.99Å; T18-I75 WeakPolarHBondContact CG2-O 3.3Å; T18-G78 WeakPolarHBondContact OG1-CA 3.4Å; T18-G78 PolarHBondContact OG1-N 3.22Å; T18-G78 VanDerWaalsContact OG1-N 3.07Å
19G95.4Very high95.8Very high7 Ų725.2 Ų25.27%0.07214%0.141CC..SBendtrans-98.7-34-177.900000113.7G17 P36 N37 D162G17-G19 PolarHBondContact O-N 3.04Å; G19-P36 WeakPolarHBondContact O-CA 3.23Å; G19-N37 PolarHBondContact O-N 3.09Å; G19-D162 WeakPolarHBondContact CA-OD2 3.29Å
20I96.2Very high96.1Very high25 Ų2526.2 Ų26.213%0.12815%0.149CC..EExtended strand (participates in β ladder)trans-135.1130.7-174.7-60-65.5000108.2G17 K22 R34 F35 P36G17-I20 CarbonylContact C-O 3.58Å; G17-I20 WeakPolarHBondContact CA-O 3.45Å; G17-I20 PolarHBondContact N-O 3.29Å; I20-K22 HydrophobicContact CG2-CG 4.25Å; I20-R34 HydrophobicContact CG2-CG 3.57Å; I20-F35 WeakPolarHBondContact CA-O 3.31Å; I20-P36 HydrophobicContact CD1-CG 4.46Å
21L96.8Very high96.2Very high0 Ų022.8 Ų22.80%014%0.135CC..EExtended strand (participates in β ladder)trans-99145.2170.1-173.6144000109.7I14 A23 R34 F35 N37 M86 I89 I93I14-L21 HydrophobicContact CG2-CD1 4.21Å; I14-L21 HydrophobicContact CG2-CD2 4.3Å; I14-L21 HydrophobicContact CG2-CG 4.32Å; L21-A23 HydrophobicContact CD2-CB 4.27Å; L21-R34 WeakPolarHBondContact O-CA 3.38Å; L21-F35 HydrophobicContact CB-CE2 4.42Å; L21-F35 HydrophobicContact CB-CZ 4.41Å; L21-F35 HydrophobicContact CD2-CE1 3.83Å; L21-F35 HydrophobicContact CD2-CZ 3.72Å; L21-F35 PolarHBondContact N-O 2.95Å; L21-F35 PolarHBondContact O-N 2.9Å; L21-F35 VanDerWaalsContact O-N 3.15Å; L21-N37 HydrophobicContact CB-CB 4.18Å; L21-M86 HydrophobicContact CD1-CE 3.92Å; L21-I89 HydrophobicContact CD1-CG2 3.92Å; L21-I93 HydrophobicContact CD1-CD1 3.77Å; L21-I93 HydrophobicContact CD2-CD1 3.39Å; L21-I93 HydrophobicContact CD2-CG1 3.82Å; L21-I93 HydrophobicContact CG-CD1 4.2Å
22K97.5Very high96.2Very high15 Ų1527.4 Ų27.47%0.06515%0.153CC..EExtended strand (participates in β ladder)trans-132.6136.2174.7-40.1177.4-173.373.70110.5I14 D15 I20 P31 Y33 R34 L336 Y337 W340I14-K22 CarbonylContact C-O 3.58Å; I14-K22 WeakPolarHBondContact CA-O 3.49Å; D15-K22 HydrophobicContact CB-CB 4.15Å; D15-K22 HydrophobicContact CB-CG 4.49Å; D15-K22 PolarHBondContact N-O 3.26Å; D15-K22 PolarHBondContact O-N 2.99Å; D15-K22 WeakPolarHBondContact OD2-CD 3.09Å; D15-K22 IonicContact OD2-NZ 3.67Å; D15-K22 PolarHBondContact OD2-NZ 2.71Å; I20-K22 HydrophobicContact CG2-CG 4.25Å; K22-P31 HydrophobicContact CB-CB 3.91Å; K22-P31 HydrophobicContact CB-CG 4.18Å; K22-P31 HydrophobicContact CD-CG 4.29Å; K22-Y33 CarbonylContact C-O 3.6Å; K22-Y33 VanDerWaalsContact CA-O 3.27Å; K22-Y33 WeakPolarHBondContact CA-O 3.09Å; K22-R34 HydrophobicContact CG-CG 4.44Å; K22-L336 WeakPolarHBondContact CE-O 3.49Å; K22-L336 PolarHBondContact NZ-O 2.63Å; K22-Y337 HydrophobicContact CD-CD1 3.7Å; K22-Y337 HydrophobicContact CD-CE1 4.2Å; K22-W340 HydrophobicContact CB-CG 4.34Å; K22-W340 HydrophobicContact CD-CB 4.31Å
23A97.8Very high96Very high0 Ų030.4 Ų30.40%017%0.165CC..EExtended strand (participates in β ladder)trans-139.4149-17900000111.4V13 L21 K32 Y33 I93V13-A23 WeakPolarHBondContact O-CA 3.48Å; L21-A23 HydrophobicContact CD2-CB 4.27Å; A23-K32 PolarHBondContact O-N 3.11Å; A23-Y33 PolarHBondContact N-O 3.11Å; A23-Y33 PolarHBondContact O-N 2.8Å; A23-I93 HydrophobicContact CB-CG1 4.46Å; A23-I93 HydrophobicContact CB-CG2 3.54Å
24G97.5Very high95.9Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans176.6-172.4177.300000111.1V12 V13V12-G24 WeakPolarHBondContact CA-O 3.24Å; V13-G24 PolarHBondContact N-O 3.46Å; V13-G24 PolarHBondContact O-N 3.33Å
25F96.9Very high95.7Very high28 Ų2835.1 Ų35.112%0.12318%0.183CC..EExtended strand (participates in β ladder)trans-98.5145.9-178.8-60.2-82.1000111.8Q10 P11 V12 D28 K32 L99 V101 H106Q10-F25 VanDerWaalsContact CD-CB 3.5Å; Q10-F25 HydrophobicContact CG-CB 3.96Å; P11-F25 WeakPolarHBondContact O-CA 3.45Å; V12-F25 HydrophobicContact CG2-CD1 4.03Å; V12-F25 HydrophobicContact CG2-CE1 3.89Å; F25-D28 WeakPolarHBondContact O-CB 3.31Å; F25-D28 PolarHBondContact O-N 3.32Å; F25-K32 HydrophobicContact CD2-CG 4.34Å; F25-L99 HydrophobicContact CD2-CD2 4.35Å; F25-L99 HydrophobicContact CE2-CD2 3.8Å; F25-L99 HydrophobicContact CZ-CB 4.29Å; F25-L99 HydrophobicContact CZ-CD2 4.05Å; F25-V101 HydrophobicContact CE1-CG1 4.19Å; F25-V101 HydrophobicContact CE1-CG2 4.3Å; F25-V101 HydrophobicContact CZ-CG1 3.77Å; F25-V101 HydrophobicContact CZ-CG2 4.21Å; F25-H106 AromaticContact CE1-CE1 3.96Å
26A95.8Very high95.6Very high4 Ų435 Ų353%0.03318%0.182CC..THydrogen-bonded Turntrans-63.8134.817600000111.4Q10 P11 V13 A347Q10-A26 WeakPolarHBondContact CG-O 3.37Å; Q10-A26 PolarHBondContact NE2-O 2.82Å; P11-A26 HydrophobicContact CB-CB 4.03Å; P11-A26 HydrophobicContact CG-CB 4.32Å; P11-A26 PolarHBondContact O-N 2.83Å; V13-A26 HydrophobicContact CG2-CB 4.09Å; A26-A347 HydrophobicContact CB-CB 3.58Å
27G93.4Very high95.6Very high41 Ų4134.4 Ų34.442%0.42318%0.179SC..THydrogen-bonded Turntrans97.5-17.9-172.900000114.1S344G27-S344 PolarHBondContact N-O 3.18Å; G27-S344 PolarHBondContact N-OG 3.18Å
28D94.6Very high95.7Very high43 Ų4333.8 Ų33.823%0.2317%0.172CC..  trans-72.7148.3169.7-74.3-33.7000110.8F25 K32 W340 S344F25-D28 WeakPolarHBondContact O-CB 3.31Å; F25-D28 PolarHBondContact O-N 3.32Å; D28-K32 IonicContact OD1-NZ 2.74Å; D28-K32 WeakPolarHBondContact OD2-CE 3.45Å; D28-K32 IonicContact OD2-NZ 3.09Å; D28-W340 HydrophobicContact CB-CH2 3.88Å; D28-W340 WeakPolarHBondContact O-CZ3 3.42Å; D28-S344 PolarHBondContact N-OG 3.47Å; D28-S344 PolarHBondContact O-OG 3.22Å
29Q92.2Very high95.7Very high156 Ų15633.4 Ų33.473%0.72917%0.17SC*.SBendtrans-81.4-21-177.5-62.9-61.4-44.400113.8
30V93.6Very high95.7Very high85 Ų8533 Ų3352%0.51517%0.166SC..SBendtrans-141.6150.7179.3-66.80000109.2K32 W340V30-K32 PolarHBondContact O-N 2.97Å; V30-W340 WeakPolarHBondContact O-CH2 3.31Å; V30-W340 WeakPolarHBondContact O-CZ3 3.24Å
31P95.8Very high95.6Very high16 Ų1635 Ų3510%0.10417%0.172CC..  trans-60.4139.7174.925.6-34000110K22 Y33 Y337 W340K22-P31 HydrophobicContact CB-CB 3.91Å; K22-P31 HydrophobicContact CB-CG 4.18Å; K22-P31 HydrophobicContact CD-CG 4.29Å; P31-Y33 VanDerWaalsContact C-N 3.26Å; P31-Y33 PolarHBondContact O-N 3.22Å; P31-Y337 HydrophobicContact CG-CD1 3.85Å; P31-Y337 HydrophobicContact CG-CE1 4.1Å; P31-Y337 HydrophobicContact CG-CG 4.35Å; P31-W340 HydrophobicContact CB-CD2 3.67Å; P31-W340 HydrophobicContact CB-CE3 4.1Å; P31-W340 HydrophobicContact CB-CG 3.99Å; P31-W340 HydrophobicContact CB-CZ2 4.33Å; P31-W340 HydrophobicContact CG-CD2 4.26Å; P31-W340 HydrophobicContact CG-CE3 4.35Å; P31-W340 HydrophobicContact CG-CG 4.48Å; P31-W340 VanDerWaalsContact N-CZ3 3.34Å
32K94.9Very high95.4Very high114 Ų11436.5 Ų36.550%0.49618%0.182SC..SBendtrans-65.7-35.7174.5-68-73.8172.8175.50111.2A23 F25 D28 V30 L99A23-K32 PolarHBondContact O-N 3.11Å; F25-K32 HydrophobicContact CD2-CG 4.34Å; D28-K32 IonicContact OD1-NZ 2.74Å; D28-K32 WeakPolarHBondContact OD2-CE 3.45Å; D28-K32 IonicContact OD2-NZ 3.09Å; V30-K32 PolarHBondContact O-N 2.97Å; K32-L99 HydrophobicContact CB-CD2 4.4Å
33Y94.3Very high94.9Very high64 Ų6439.4 Ų39.425%0.25119%0.194SC..EExtended strand (participates in β ladder)trans-132.4140-175.1-60.6-75.1000111.5K22 A23 P31 Q98 L99K22-Y33 CarbonylContact C-O 3.6Å; K22-Y33 VanDerWaalsContact CA-O 3.27Å; K22-Y33 WeakPolarHBondContact CA-O 3.09Å; A23-Y33 PolarHBondContact N-O 3.11Å; A23-Y33 PolarHBondContact O-N 2.8Å; P31-Y33 VanDerWaalsContact C-N 3.26Å; P31-Y33 PolarHBondContact O-N 3.22Å; Y33-Q98 HydrophobicContact CD1-CB 4.36Å; Y33-Q98 HydrophobicContact CD2-CB 4.24Å; Y33-Q98 HydrophobicContact CE1-CB 4.44Å; Y33-Q98 HydrophobicContact CE2-CB 4.35Å; Y33-Q98 WeakPolarHBondContact CE2-O 3.48Å; Y33-Q98 HydrophobicContact CG-CB 4.27Å; Y33-Q98 PolarHBondContact OH-O 2.9Å; Y33-L99 HydrophobicContact CD2-CD2 3.72Å; Y33-L99 HydrophobicContact CD2-CG 4.17Å; Y33-L99 HydrophobicContact CE2-CD2 3.79Å; Y33-L99 HydrophobicContact CE2-CG 4.28Å
34R94.5Very high94.1Very high97 Ų9745.5 Ų45.537%0.36622%0.222SC..EExtended strand (participates in β ladder)trans-145.3119.7176.3176-161.2176.6-92.11.7108I20 L21 K22I20-R34 HydrophobicContact CG2-CG 3.57Å; L21-R34 WeakPolarHBondContact O-CA 3.38Å; K22-R34 HydrophobicContact CG-CG 4.44Å
35F95.5Very high92.8Very high2 Ų251.9 Ų51.91%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-149.5161.8177.860.2-92000111.5I20 L21 N37 I58 I89 Y92 I93I20-F35 WeakPolarHBondContact CA-O 3.31Å; L21-F35 HydrophobicContact CB-CE2 4.42Å; L21-F35 HydrophobicContact CB-CZ 4.41Å; L21-F35 HydrophobicContact CD2-CE1 3.83Å; L21-F35 HydrophobicContact CD2-CZ 3.72Å; L21-F35 PolarHBondContact N-O 2.95Å; L21-F35 PolarHBondContact O-N 2.9Å; L21-F35 VanDerWaalsContact O-N 3.15Å; F35-N37 PolarHBondContact O-N 2.69Å; F35-I58 HydrophobicContact CD2-CG2 4.3Å; F35-I58 HydrophobicContact CE2-CG2 3.76Å; F35-I58 HydrophobicContact CZ-CG2 4.45Å; F35-I89 HydrophobicContact CE2-CG2 3.95Å; F35-I89 HydrophobicContact CZ-CG2 4.13Å; F35-Y92 HydrophobicContact CD1-CE1 4.28Å; F35-Y92 HydrophobicContact CE1-CD1 4.04Å; F35-Y92 AromaticContact CE1-CE1 3.98Å; F35-Y92 HydrophobicContact CE1-CE1 3.98Å; F35-Y92 HydrophobicContact CE2-CD1 4.13Å; F35-Y92 HydrophobicContact CE2-CE1 4.33Å; F35-Y92 AromaticContact CZ-CD1 3.7Å; F35-Y92 HydrophobicContact CZ-CD1 3.7Å; F35-Y92 HydrophobicContact CZ-CE1 4.02Å; F35-I93 HydrophobicContact CE1-CG1 4.25Å; F35-I93 HydrophobicContact CZ-CG1 4.01Å
36P96.2Very high91.2Very high2 Ų261.7 Ų61.71%0.01330%0.297CS..EExtended strand (participates in β ladder)trans-60.6133.9176.5-25.136000113.1G19 I20 Y38 E63G19-P36 WeakPolarHBondContact O-CA 3.23Å; I20-P36 HydrophobicContact CD1-CG 4.46Å; P36-Y38 HydrophobicContact CB-CD1 3.41Å; P36-Y38 VanDerWaalsContact CB-CD1 3.41Å; P36-Y38 HydrophobicContact CB-CE1 3.11Å; P36-Y38 HydrophobicContact CB-CE2 4.47Å; P36-Y38 HydrophobicContact CB-CG 4.22Å; P36-Y38 HydrophobicContact CG-CE1 3.81Å; P36-Y38 PolarHBondContact O-N 3.46Å; P36-E63 VanDerWaalsContact CD-OE2 3.23Å; P36-E63 WeakPolarHBondContact CD-OE2 3.31Å; P36-E63 HydrophobicContact CG-CG 3.73Å; P36-E63 VanDerWaalsContact CG-OE1 3.31Å; P36-E63 WeakPolarHBondContact CG-OE1 3.38Å
37N97Very high89.3Confident0 Ų065.3 Ų65.30%032%0.319CS..SBendtrans-83.669179.6-166.16.3000110.9G17 G19 L21 F35 I75 I89G17-N37 WeakPolarHBondContact O-CB 3.34Å; G17-N37 PolarHBondContact O-ND2 3.35Å; G19-N37 PolarHBondContact O-N 3.09Å; L21-N37 HydrophobicContact CB-CB 4.18Å; F35-N37 PolarHBondContact O-N 2.69Å; N37-I75 WeakPolarHBondContact ND2-CD1 3.49Å; N37-I89 WeakPolarHBondContact OD1-CD1 3.5Å
38Y97.5Very high87.5Confident2 Ų265 Ų651%0.00831%0.307CS..  trans-145.8166.4174.363.4-120.8000110.8P36 A62 E63 R66 I71 R72 Y73 E212P36-Y38 HydrophobicContact CB-CD1 3.41Å; P36-Y38 VanDerWaalsContact CB-CD1 3.41Å; P36-Y38 HydrophobicContact CB-CE1 3.11Å; P36-Y38 HydrophobicContact CB-CE2 4.47Å; P36-Y38 HydrophobicContact CB-CG 4.22Å; P36-Y38 HydrophobicContact CG-CE1 3.81Å; P36-Y38 PolarHBondContact O-N 3.46Å; Y38-A62 HydrophobicContact CD2-CB 4.47Å; Y38-A62 HydrophobicContact CE2-CB 3.73Å; Y38-E63 VanDerWaalsContact OH-CG 3.25Å; Y38-E63 WeakPolarHBondContact OH-CG 3.47Å; Y38-R66 WeakPolarHBondContact OH-CD 3.22Å; Y38-I71 HydrophobicContact CD1-CG2 3.75Å; Y38-I71 HydrophobicContact CD2-CG2 3.5Å; Y38-I71 VanDerWaalsContact CD2-CG2 3.5Å; Y38-I71 HydrophobicContact CE1-CD1 4.5Å; Y38-I71 HydrophobicContact CE1-CG2 4.24Å; Y38-I71 HydrophobicContact CE2-CD1 4.28Å; Y38-I71 HydrophobicContact CE2-CG1 4.43Å; Y38-I71 HydrophobicContact CE2-CG2 4.06Å; Y38-I71 HydrophobicContact CG-CG2 3.36Å; Y38-R72 WeakPolarHBondContact CA-O 3.28Å; Y38-R72 VanDerWaalsContact CB-O 3.27Å; Y38-R72 WeakPolarHBondContact CB-O 3.29Å; Y38-Y73 HydrophobicContact CD1-CD1 4.35Å; Y38-Y73 AromaticContact CD1-CE1 3.72Å; Y38-Y73 HydrophobicContact CD1-CE1 3.72Å; Y38-Y73 HydrophobicContact CG-CE1 4.21Å; Y38-E212 HydrophobicContact CE1-CG 4.02Å
39I96.6Very high85.5Confident0 Ų068 Ų680%034%0.337CS..EExtended strand (participates in β ladder)trans-117134.9170.4-162.9164.2000109.6D56 I58 I71 R72 D85 R88I39-D56 HydrophobicContact CD1-CB 3.7Å; I39-D56 HydrophobicContact CG1-CB 4.08Å; I39-I58 HydrophobicContact CB-CG1 4.43Å; I39-I58 HydrophobicContact CD1-CD1 4.09Å; I39-I58 HydrophobicContact CD1-CG1 4.14Å; I39-I58 HydrophobicContact CG1-CD1 4.36Å; I39-I58 HydrophobicContact CG1-CG1 3.85Å; I39-I71 WeakPolarHBondContact O-CA 3.47Å; I39-R72 HydrophobicContact CG2-CB 4.2Å; I39-R72 PolarHBondContact N-O 2.95Å; I39-R72 PolarHBondContact O-N 2.93Å; I39-D85 HydrophobicContact CG2-CB 4.16Å; I39-D85 WeakPolarHBondContact CG2-OD2 3.4Å; I39-R88 HydrophobicContact CD1-CB 4.35Å
40G96Very high84Confident0 Ų064.6 Ų64.60%034%0.344CS..EExtended strand (participates in β ladder)trans-102.2133.4173.400000110.4F57G40-F57 PolarHBondContact N-O 2.88Å; G40-F57 PolarHBondContact O-N 3.15Å
41R94.3Very high82.5Confident67 Ų6764.2 Ų64.225%0.25335%0.35SS..EExtended strand (participates in β ladder)trans-122.6143.7173.1-63.8-175.6172.4102.5-1.6110.7K43 D56 L69 S70 D85R41-K43 PolarHBondContact O-N 3.29Å; R41-D56 IonicContact CZ-OD1 3.38Å; R41-D56 IonicContact NE-OD1 2.72Å; R41-D56 PolarHBondContact NE-OD1 2.78Å; R41-D56 IonicContact NH2-OD1 3.49Å; R41-D56 PolarHBondContact NH2-OD1 2.87Å; R41-D56 VanDerWaalsContact NH2-OD1 3.13Å; R41-L69 CarbonylContact O-C 3.42Å; R41-L69 VanDerWaalsContact O-CA 3.3Å; R41-L69 WeakPolarHBondContact O-CA 3.42Å; R41-S70 PolarHBondContact N-O 3.05Å; R41-S70 PolarHBondContact O-N 2.82Å; R41-D85 IonicContact CZ-OD1 2.63Å; R41-D85 IonicContact NH1-OD1 2.59Å; R41-D85 PolarHBondContact NH1-OD1 3.23Å; R41-D85 IonicContact NH1-OD2 2.7Å; R41-D85 PolarHBondContact NH1-OD2 3.45Å; R41-D85 VanDerWaalsContact NH1-OD2 3.16Å; R41-D85 IonicContact NH2-OD1 3.08Å; R41-D85 PolarHBondContact NH2-OD1 3.26Å; R41-D85 IonicContact NH2-OD2 2.99Å
42P91.5Very high81.2Confident31 Ų3164.3 Ų64.320%0.20135%0.35CS..EExtended strand (participates in β ladder)trans-52.6129.7-179.1-24.832.9000112.7H44 M48 D55 F57 L69P42-H44 VanDerWaalsContact C-N 3.28Å; P42-H44 PolarHBondContact O-N 2.92Å; P42-M48 HydrophobicContact CB-CE 3.85Å; P42-M48 HydrophobicContact CB-CG 4.22Å; P42-M48 HydrophobicContact CB-SD 3.76Å; P42-M48 HydrophobicContact CG-CE 3.12Å; P42-M48 HydrophobicContact CG-CG 4.48Å; P42-M48 HydrophobicContact CG-SD 3.52Å; P42-M48 VanDerWaalsContact CG-SD 3.52Å; P42-D55 WeakPolarHBondContact CD-O 3.49Å; P42-F57 HydrophobicContact CG-CE2 4.01Å; P42-L69 HydrophobicContact CG-CD2 4.47Å
43K88.1Confident80.2Confident76 Ų7668 Ų6833%0.3337%0.369SS..SBendtrans-64.6-35.4175.5-70.3175.6-177.91670112R41 G67 L68 L69 S209R41-K43 PolarHBondContact O-N 3.29Å; K43-G67 PolarHBondContact NZ-O 3.12Å; K43-L68 PolarHBondContact N-O 3.46Å; K43-L69 WeakPolarHBondContact CE-O 2.81Å; K43-S209 PolarHBondContact NZ-OG 3Å
44H80.7Confident79.6Confident127 Ų12767 Ų6759%0.58838%0.378SS*.  trans-139.2120.4-176.2-58.6-63.2000110.3P42 R46 V47P42-H44 VanDerWaalsContact C-N 3.28Å; P42-H44 PolarHBondContact O-N 2.92Å; H44-R46 PolarHBondContact O-N 3.45Å; H44-V47 HydrophobicContact CB-CB 4.45Å; H44-V47 HydrophobicContact CB-CG2 3.75Å; H44-V47 PolarHBondContact O-N 3.45Å
45V70.1Confident79.3Confident135 Ų13568.5 Ų68.582%0.81839%0.393SS*.G310 helixtrans-56-36.4179.7-175.80000112V47V45-V47 PolarHBondContact O-N 2.85Å
46R61.9Low79.1Confident233 Ų23371 Ų7188%0.87941%0.406SS*.G310 helixtrans-72.9-21.3-175.6-69.3-174.7-179.8178.6-0.2115.1H44 M48H44-R46 PolarHBondContact O-N 3.45Å; R46-M48 PolarHBondContact O-N 3.01Å
47V57.1Low79Confident80 Ų8071.4 Ų71.449%0.48541%0.408SS..G310 helixtrans-73.1-12.2-177.5177.10000111.3H44 V45 L68H44-V47 HydrophobicContact CB-CB 4.45Å; H44-V47 HydrophobicContact CB-CG2 3.75Å; H44-V47 PolarHBondContact O-N 3.45Å; V45-V47 PolarHBondContact O-N 2.85Å; V47-L68 HydrophobicContact CG1-CD2 4.26Å
48M54.4Low78.9Confident36 Ų3672.1 Ų72.118%0.17741%0.411CS..G310 helixtrans-96.30.8-170.4-57.3-121.2-64.600114.5P42 R46 G50 L52 G54 F57P42-M48 HydrophobicContact CB-CE 3.85Å; P42-M48 HydrophobicContact CB-CG 4.22Å; P42-M48 HydrophobicContact CB-SD 3.76Å; P42-M48 HydrophobicContact CG-CE 3.12Å; P42-M48 HydrophobicContact CG-CG 4.48Å; P42-M48 HydrophobicContact CG-SD 3.52Å; P42-M48 VanDerWaalsContact CG-SD 3.52Å; R46-M48 PolarHBondContact O-N 3.01Å; M48-G50 PolarHBondContact O-N 2.8Å; M48-L52 WeakPolarHBondContact CE-O 3.37Å; M48-L52 HydrophobicContact SD-CB 3.72Å; M48-L52 HydrophobicContact SD-CD2 3.93Å; M48-L52 HydrophobicContact SD-CG 4.26Å; M48-L52 VanDerWaalsContact SD-O 3.38Å; M48-G54 WeakPolarHBondContact CE-O 3.41Å; M48-F57 HydrophobicContact CE-CE2 4.39Å; M48-F57 HydrophobicContact CE-CZ 4.45Å
49A53.9Low78.8Confident104 Ų10472 Ų7286%0.8641%0.412SS*.THydrogen-bonded Turntrans-6679.3176.400000110.8
50G59.7Low78.5Confident85 Ų8574.7 Ų74.788%0.87643%0.429SS*.THydrogen-bonded Turntrans116.5-11.9173.500000116.8M48M48-G50 PolarHBondContact O-N 2.8Å
51A62.8Low78.3Confident77 Ų7779.5 Ų79.564%0.63645%0.45SS*.THydrogen-bonded Turntrans-108.1-30.6-170.600000115.3
52L68.3Low78.3Confident18 Ų1876.3 Ų76.39%0.09444%0.438CS..  trans-154115.2-171.4-157.577.2000109.9M48 F57 H65 L69M48-L52 WeakPolarHBondContact CE-O 3.37Å; M48-L52 HydrophobicContact SD-CB 3.72Å; M48-L52 HydrophobicContact SD-CD2 3.93Å; M48-L52 HydrophobicContact SD-CG 4.26Å; M48-L52 VanDerWaalsContact SD-O 3.38Å; L52-F57 HydrophobicContact CB-CZ 4.46Å; L52-F57 HydrophobicContact CD1-CE1 3.92Å; L52-F57 HydrophobicContact CD1-CZ 4.4Å; L52-F57 HydrophobicContact CD2-CD1 4.13Å; L52-F57 HydrophobicContact CD2-CD2 4.48Å; L52-F57 HydrophobicContact CD2-CE1 3.42Å; L52-F57 VanDerWaalsContact CD2-CE1 3.42Å; L52-F57 HydrophobicContact CD2-CE2 3.83Å; L52-F57 HydrophobicContact CD2-CZ 3.26Å; L52-F57 HydrophobicContact CG-CD1 4.45Å; L52-F57 HydrophobicContact CG-CE1 3.41Å; L52-F57 VanDerWaalsContact CG-CE1 3.41Å; L52-F57 HydrophobicContact CG-CE2 4.43Å; L52-F57 HydrophobicContact CG-CZ 3.41Å; L52-F57 VanDerWaalsContact CG-CZ 3.41Å; L52-H65 HydrophobicContact CD1-CB 4.43Å; L52-H65 WeakPolarHBondContact CD1-CD2 3.39Å; L52-H65 WeakPolarHBondContact CD1-NE2 3.25Å; L52-H65 HydrophobicContact CD2-CB 4.07Å; L52-L69 HydrophobicContact CD2-CD2 4.4Å
53E74.4Confident78.3Confident193 Ų19377.5 Ų77.590%0.90244%0.44SS*.  trans-96.2140.1-180-68.3-175.7171.300111.1
54G81.6Confident78.4Confident42 Ų4280.6 Ų80.643%0.43346%0.456SS..  trans109.6155.7176.100000114.3M48 F57M48-G54 WeakPolarHBondContact CE-O 3.41Å; G54-F57 VanDerWaalsContact O-CE2 3.24Å; G54-F57 WeakPolarHBondContact O-CE2 3.22Å; G54-F57 WeakPolarHBondContact O-CZ 3.37Å
55D87.4Confident78.9Confident128 Ų12877.3 Ų77.368%0.68444%0.441SS*.SBendtrans-95.3-22.7-176.6-66.3-41.6000113.4P42P42-D55 WeakPolarHBondContact CD-O 3.49Å
56D92.3Very high79.9Confident54 Ų5472.4 Ų72.429%0.28941%0.408SS..  trans-128.6128.8-177-61.8-54.2000111.2I39 R41 R88I39-D56 HydrophobicContact CD1-CB 3.7Å; I39-D56 HydrophobicContact CG1-CB 4.08Å; R41-D56 IonicContact CZ-OD1 3.38Å; R41-D56 IonicContact NE-OD1 2.72Å; R41-D56 PolarHBondContact NE-OD1 2.78Å; R41-D56 IonicContact NH2-OD1 3.49Å; R41-D56 PolarHBondContact NH2-OD1 2.87Å; R41-D56 VanDerWaalsContact NH2-OD1 3.13Å; D56-R88 IonicContact OD1-NH1 3.39Å; D56-R88 PolarHBondContact OD1-NH1 3.05Å; D56-R88 VanDerWaalsContact OD1-NH1 3.08Å; D56-R88 IonicContact OD2-CZ 3.33Å; D56-R88 IonicContact OD2-NE 3.99Å; D56-R88 IonicContact OD2-NH1 2.63Å; D56-R88 PolarHBondContact OD2-NH1 3.24Å
57F94.3Very high81.2Confident11 Ų1163.9 Ų63.95%0.04839%0.393CS..BIsolated β-bridgetrans-116.1124.6178.3-62.3-92.7000109G40 P42 M48 L52 G54 K61 A62 L69G40-F57 PolarHBondContact N-O 2.88Å; G40-F57 PolarHBondContact O-N 3.15Å; P42-F57 HydrophobicContact CG-CE2 4.01Å; M48-F57 HydrophobicContact CE-CE2 4.39Å; M48-F57 HydrophobicContact CE-CZ 4.45Å; L52-F57 HydrophobicContact CB-CZ 4.46Å; L52-F57 HydrophobicContact CD1-CE1 3.92Å; L52-F57 HydrophobicContact CD1-CZ 4.4Å; L52-F57 HydrophobicContact CD2-CD1 4.13Å; L52-F57 HydrophobicContact CD2-CD2 4.48Å; L52-F57 HydrophobicContact CD2-CE1 3.42Å; L52-F57 VanDerWaalsContact CD2-CE1 3.42Å; L52-F57 HydrophobicContact CD2-CE2 3.83Å; L52-F57 HydrophobicContact CD2-CZ 3.26Å; L52-F57 HydrophobicContact CG-CD1 4.45Å; L52-F57 HydrophobicContact CG-CE1 3.41Å; L52-F57 VanDerWaalsContact CG-CE1 3.41Å; L52-F57 HydrophobicContact CG-CE2 4.43Å; L52-F57 HydrophobicContact CG-CZ 3.41Å; L52-F57 VanDerWaalsContact CG-CZ 3.41Å; G54-F57 VanDerWaalsContact O-CE2 3.24Å; G54-F57 WeakPolarHBondContact O-CE2 3.22Å; G54-F57 WeakPolarHBondContact O-CZ 3.37Å; F57-K61 HydrophobicContact CD1-CB 4.38Å; F57-A62 HydrophobicContact CB-CB 3.89Å; F57-A62 VanDerWaalsContact O-CB 3.3Å; F57-A62 WeakPolarHBondContact O-CB 3.27Å; F57-L69 HydrophobicContact CB-CD1 3.7Å; F57-L69 HydrophobicContact CB-CD2 4.49Å; F57-L69 HydrophobicContact CD2-CD1 4.19Å; F57-L69 HydrophobicContact CD2-CD2 3.44Å; F57-L69 VanDerWaalsContact CD2-CD2 3.44Å; F57-L69 HydrophobicContact CD2-CG 4.47Å; F57-L69 HydrophobicContact CE2-CD2 3.9Å; F57-L69 HydrophobicContact CG-CD1 3.93Å; F57-L69 HydrophobicContact CG-CD2 4.03Å
58I95Very high82.8Confident15 Ų1563.9 Ų63.98%0.07739%0.389CS..  trans-129150178.5-59.1161.4000108.1F35 I39 R88 I89 Y92F35-I58 HydrophobicContact CD2-CG2 4.3Å; F35-I58 HydrophobicContact CE2-CG2 3.76Å; F35-I58 HydrophobicContact CZ-CG2 4.45Å; I39-I58 HydrophobicContact CB-CG1 4.43Å; I39-I58 HydrophobicContact CD1-CD1 4.09Å; I39-I58 HydrophobicContact CD1-CG1 4.14Å; I39-I58 HydrophobicContact CG1-CD1 4.36Å; I39-I58 HydrophobicContact CG1-CG1 3.85Å; I58-R88 HydrophobicContact CD1-CB 4.06Å; I58-I89 HydrophobicContact CD1-CG1 3.99Å; I58-I89 HydrophobicContact CG1-CG1 4.19Å; I58-I89 HydrophobicContact CG2-CG1 4.02Å; I58-Y92 HydrophobicContact CB-CD1 4.19Å; I58-Y92 HydrophobicContact CB-CD2 4.16Å; I58-Y92 HydrophobicContact CB-CG 3.97Å; I58-Y92 HydrophobicContact CG2-CD1 3.49Å; I58-Y92 VanDerWaalsContact CG2-CD1 3.49Å; I58-Y92 HydrophobicContact CG2-CD2 4.35Å; I58-Y92 HydrophobicContact CG2-CE1 3.99Å; I58-Y92 HydrophobicContact CG2-CG 3.69Å
59G93.7Very high84.6Confident1 Ų162.1 Ų62.11%0.0138%0.381CS..THydrogen-bonded Turntrans72.9-149.1175.100000113.9K61 A62 E63G59-K61 VanDerWaalsContact C-N 3.27Å; G59-K61 PolarHBondContact O-N 2.84Å; G59-A62 WeakPolarHBondContact O-CA 3.5Å; G59-A62 WeakPolarHBondContact O-CB 3.47Å; G59-A62 PolarHBondContact O-N 2.81Å; G59-E63 PolarHBondContact O-N 2.83Å; G59-E63 VanDerWaalsContact O-N 3.15Å
60P92.1Very high86.6Confident56 Ų5660 Ų6036%0.36436%0.36SS..Hα-helixtrans-54.6-39.3-177.4-28.736.8000113.8A62 E63 E64 Y92P60-A62 PolarHBondContact O-N 3.43Å; P60-E63 WeakPolarHBondContact O-CB 3.38Å; P60-E63 PolarHBondContact O-N 3.43Å; P60-E64 WeakPolarHBondContact O-CG 3.42Å; P60-E64 PolarHBondContact O-N 3.15Å; P60-Y92 WeakPolarHBondContact CD-OH 3.39Å
61K90.8Very high88.3Confident100 Ų10056.3 Ų56.344%0.43532%0.32SS..Hα-helixtrans-57.8-39.1176.1-72.8175.8176.7160.10111.9F57 G59 H65 D97F57-K61 HydrophobicContact CD1-CB 4.38Å; G59-K61 VanDerWaalsContact C-N 3.27Å; G59-K61 PolarHBondContact O-N 2.84Å; K61-H65 PolarHBondContact O-N 3.02Å; K61-H65 PolarHBondContact O-ND1 2.98Å; K61-D97 IonicContact NZ-OD2 3.84Å; K61-D97 PolarHBondContact NZ-OD2 3.07Å
62A93.4Very high90Very high0 Ų058.4 Ų58.40%031%0.311CS..Hα-helixtrans-70.8-36.7176.900000112Y38 F57 G59 P60 R66 L69Y38-A62 HydrophobicContact CD2-CB 4.47Å; Y38-A62 HydrophobicContact CE2-CB 3.73Å; F57-A62 HydrophobicContact CB-CB 3.89Å; F57-A62 VanDerWaalsContact O-CB 3.3Å; F57-A62 WeakPolarHBondContact O-CB 3.27Å; G59-A62 WeakPolarHBondContact O-CA 3.5Å; G59-A62 WeakPolarHBondContact O-CB 3.47Å; G59-A62 PolarHBondContact O-N 2.81Å; P60-A62 PolarHBondContact O-N 3.43Å; A62-R66 WeakPolarHBondContact O-CG 3.4Å; A62-R66 PolarHBondContact O-N 3.19Å; A62-L69 HydrophobicContact CB-CD1 4.46Å
63E92.3Very high91.3Very high56 Ų5659.3 Ų59.326%0.26231%0.314SS..Hα-helixtrans-67.2-42.3176.4-75.7-174105.200113.2P36 Y38 G59 P60 R66P36-E63 VanDerWaalsContact CD-OE2 3.23Å; P36-E63 WeakPolarHBondContact CD-OE2 3.31Å; P36-E63 HydrophobicContact CG-CG 3.73Å; P36-E63 VanDerWaalsContact CG-OE1 3.31Å; P36-E63 WeakPolarHBondContact CG-OE1 3.38Å; Y38-E63 VanDerWaalsContact OH-CG 3.25Å; Y38-E63 WeakPolarHBondContact OH-CG 3.47Å; G59-E63 PolarHBondContact O-N 2.83Å; G59-E63 VanDerWaalsContact O-N 3.15Å; P60-E63 WeakPolarHBondContact O-CB 3.38Å; P60-E63 PolarHBondContact O-N 3.43Å; E63-R66 WeakPolarHBondContact O-CG 3.42Å; E63-R66 PolarHBondContact O-NE 3.09Å
64E90.8Very high92.5Very high142 Ų14250.1 Ų50.166%0.66427%0.271SS*.Hα-helixtrans-65.9-40.1178.9-72.9168.2-173.700111.7P60P60-E64 WeakPolarHBondContact O-CG 3.42Å; P60-E64 PolarHBondContact O-N 3.15Å
65H90.7Very high93.2Very high57 Ų5748.3 Ų48.326%0.26425%0.251SS..THydrogen-bonded Turntrans-100.913-173.8-58.688.4000113.7L52 K61 G67 L68 L69L52-H65 HydrophobicContact CD1-CB 4.43Å; L52-H65 WeakPolarHBondContact CD1-CD2 3.39Å; L52-H65 WeakPolarHBondContact CD1-NE2 3.25Å; L52-H65 HydrophobicContact CD2-CB 4.07Å; K61-H65 PolarHBondContact O-N 3.02Å; K61-H65 PolarHBondContact O-ND1 2.98Å; H65-G67 PolarHBondContact O-N 2.77Å; H65-L68 PolarHBondContact O-N 2.91Å; H65-L69 HydrophobicContact CB-CD1 3.97Å; H65-L69 HydrophobicContact CB-CG 4.34Å; H65-L69 WeakPolarHBondContact O-CG 3.14Å; H65-L69 PolarHBondContact O-N 3.44Å
66R90.9Very high93.7Very high32 Ų3247 Ų4712%0.12124%0.241CC..G310 helixtrans-47.5-39.1-175.1-73.5-177.1-71.3-179.917113.9Y38 A62 E63 L68 L69 I71 S209 E212Y38-R66 WeakPolarHBondContact OH-CD 3.22Å; A62-R66 WeakPolarHBondContact O-CG 3.4Å; A62-R66 PolarHBondContact O-N 3.19Å; E63-R66 WeakPolarHBondContact O-CG 3.42Å; E63-R66 PolarHBondContact O-NE 3.09Å; R66-L68 PolarHBondContact O-N 2.89Å; R66-L69 PolarHBondContact O-N 2.83Å; R66-L69 VanDerWaalsContact O-O 3.07Å; R66-I71 HydrophobicContact CB-CD1 4.24Å; R66-I71 HydrophobicContact CG-CD1 3.81Å; R66-S209 WeakPolarHBondContact O-CB 3.33Å; R66-E212 IonicContact NH1-OE2 3.99Å
67G89Confident93.8Very high55 Ų5546.9 Ų46.957%0.56724%0.238SC*.G310 helixtrans-56.5-32.4179.700000113.8K43 H65K43-G67 PolarHBondContact NZ-O 3.12Å; H65-G67 PolarHBondContact O-N 2.77Å
68L90.7Very high93.8Very high79 Ų7947.1 Ų47.141%0.41424%0.244SC..G310 helixtrans-90.2-9.9-179.9-54.7179000113.2K43 V47 H65 R66K43-L68 PolarHBondContact N-O 3.46Å; V47-L68 HydrophobicContact CG1-CD2 4.26Å; H65-L68 PolarHBondContact O-N 2.91Å; R66-L68 PolarHBondContact O-N 2.89Å
69L93.3Very high93.9Very high0 Ų046.9 Ų46.90%024%0.243CC..EExtended strand (participates in β ladder)trans-112.2137.7-168.6-57.8173.1000112R41 P42 K43 L52 F57 A62 H65 R66R41-L69 CarbonylContact O-C 3.42Å; R41-L69 VanDerWaalsContact O-CA 3.3Å; R41-L69 WeakPolarHBondContact O-CA 3.42Å; P42-L69 HydrophobicContact CG-CD2 4.47Å; K43-L69 WeakPolarHBondContact CE-O 2.81Å; L52-L69 HydrophobicContact CD2-CD2 4.4Å; F57-L69 HydrophobicContact CB-CD1 3.7Å; F57-L69 HydrophobicContact CB-CD2 4.49Å; F57-L69 HydrophobicContact CD2-CD1 4.19Å; F57-L69 HydrophobicContact CD2-CD2 3.44Å; F57-L69 VanDerWaalsContact CD2-CD2 3.44Å; F57-L69 HydrophobicContact CD2-CG 4.47Å; F57-L69 HydrophobicContact CE2-CD2 3.9Å; F57-L69 HydrophobicContact CG-CD1 3.93Å; F57-L69 HydrophobicContact CG-CD2 4.03Å; A62-L69 HydrophobicContact CB-CD1 4.46Å; H65-L69 HydrophobicContact CB-CD1 3.97Å; H65-L69 HydrophobicContact CB-CG 4.34Å; H65-L69 WeakPolarHBondContact O-CG 3.14Å; H65-L69 PolarHBondContact O-N 3.44Å; R66-L69 PolarHBondContact O-N 2.83Å; R66-L69 VanDerWaalsContact O-O 3.07Å
70S94.6Very high94.1Very high60 Ų6047.3 Ų47.342%0.4225%0.245SC..EExtended strand (participates in β ladder)trans-81.8115.6159.8-170.80000108.6R41R41-S70 PolarHBondContact N-O 3.05Å; R41-S70 PolarHBondContact O-N 2.82Å
71I96.7Very high94.3Very high6 Ų652 Ų523%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-90134.2-176.9-58.3175.8000110.5Y38 I39 R66 Y73 T208 E212Y38-I71 HydrophobicContact CD1-CG2 3.75Å; Y38-I71 HydrophobicContact CD2-CG2 3.5Å; Y38-I71 VanDerWaalsContact CD2-CG2 3.5Å; Y38-I71 HydrophobicContact CE1-CD1 4.5Å; Y38-I71 HydrophobicContact CE1-CG2 4.24Å; Y38-I71 HydrophobicContact CE2-CD1 4.28Å; Y38-I71 HydrophobicContact CE2-CG1 4.43Å; Y38-I71 HydrophobicContact CE2-CG2 4.06Å; Y38-I71 HydrophobicContact CG-CG2 3.36Å; I39-I71 WeakPolarHBondContact O-CA 3.47Å; R66-I71 HydrophobicContact CB-CD1 4.24Å; R66-I71 HydrophobicContact CG-CD1 3.81Å; I71-Y73 HydrophobicContact CG2-CE1 4.29Å; I71-Y73 HydrophobicContact CG2-CE2 4.14Å; I71-T208 PolarHBondContact N-OG1 3.26Å; I71-E212 HydrophobicContact CD1-CG 3.81Å
72R97.1Very high94.7Very high122 Ų12248.3 Ų48.346%0.4624%0.24SC..EExtended strand (participates in β ladder)trans-129.9139.6175.5-171.6173.4-179.7-135.52.8111.5Y38 I39 D82 D85Y38-R72 WeakPolarHBondContact CA-O 3.28Å; Y38-R72 VanDerWaalsContact CB-O 3.27Å; Y38-R72 WeakPolarHBondContact CB-O 3.29Å; I39-R72 HydrophobicContact CG2-CB 4.2Å; I39-R72 PolarHBondContact N-O 2.95Å; I39-R72 PolarHBondContact O-N 2.93Å; R72-D82 IonicContact CZ-OD2 3.39Å; R72-D82 IonicContact NH1-OD2 2.87Å; R72-D82 PolarHBondContact NH1-OD2 2.76Å; R72-D82 IonicContact NH2-OD2 3.13Å; R72-D82 PolarHBondContact NH2-OD2 2.79Å; R72-D85 IonicContact CZ-OD2 3.4Å; R72-D85 IonicContact NE-OD2 3.26Å; R72-D85 IonicContact NH1-OD2 2.66Å; R72-D85 PolarHBondContact NH1-OD2 3.38Å
73Y97.2Very high94.9Very high37 Ų3750.8 Ų50.815%0.14525%0.25CC..  trans-105122.6-177.9-54.2-89.7000109.6Y38 I71 I75 R188 E212Y38-Y73 HydrophobicContact CD1-CD1 4.35Å; Y38-Y73 AromaticContact CD1-CE1 3.72Å; Y38-Y73 HydrophobicContact CD1-CE1 3.72Å; Y38-Y73 HydrophobicContact CG-CE1 4.21Å; I71-Y73 HydrophobicContact CG2-CE1 4.29Å; I71-Y73 HydrophobicContact CG2-CE2 4.14Å; Y73-I75 VanDerWaalsContact C-N 3.3Å; Y73-R188 VanDerWaalsContact CD1-NH2 3.25Å; Y73-R188 VanDerWaalsContact CE1-NH2 3.32Å; Y73-R188 VanDerWaalsContact CE2-NH1 3.26Å; Y73-E212 PolarHBondContact OH-OE1 3.12Å
74P97.9Very high95.2Very high0 Ų053.4 Ų53.40%027%0.265CS..SBendtrans-76.5-18.2178.426.5-30.5000113.4R81 D82 D85 M86 I89P74-R81 PolarHBondContact O-N 2.88Å; P74-D82 HydrophobicContact CB-CB 4.26Å; P74-D82 WeakPolarHBondContact CB-O 3.33Å; P74-D82 PolarHBondContact O-N 3.26Å; P74-D82 VanDerWaalsContact O-N 3.12Å; P74-D85 HydrophobicContact CB-CB 3.93Å; P74-M86 HydrophobicContact CB-CB 4.21Å; P74-M86 HydrophobicContact CB-SD 4.35Å; P74-M86 HydrophobicContact CG-SD 4Å; P74-I89 HydrophobicContact CG-CD1 3.71Å
75I97.9Very high95.5Very high4 Ų446.8 Ų46.82%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-113.2133.2-178.1-53.2-168.2000109.9I16 T18 N37 Y73 I79 I80 M86I16-I75 HydrophobicContact CG2-CD1 3.46Å; I16-I75 VanDerWaalsContact CG2-CD1 3.46Å; T18-I75 HydrophobicContact CG2-CB 4.27Å; T18-I75 HydrophobicContact CG2-CG2 3.99Å; T18-I75 WeakPolarHBondContact CG2-O 3.3Å; N37-I75 WeakPolarHBondContact ND2-CD1 3.49Å; Y73-I75 VanDerWaalsContact C-N 3.3Å; I75-I79 WeakPolarHBondContact CA-O 3.45Å; I75-I80 HydrophobicContact CD1-CG1 3.94Å; I75-I80 HydrophobicContact CG1-CG1 3.93Å; I75-M86 HydrophobicContact CD1-SD 3.88Å; I75-M86 HydrophobicContact CG1-SD 4Å
76E96Very high95.8Very high101 Ų10144 Ų4447%0.47222%0.222SC..EExtended strand (participates in β ladder)trans-128.5128.3172.6-64-176169.300109.5G78 I79 R81E76-G78 VanDerWaalsContact C-N 3.29Å; E76-G78 PolarHBondContact O-N 3.01Å; E76-I79 PolarHBondContact N-O 3.44Å; E76-I79 PolarHBondContact O-N 3.09Å; E76-R81 HydrophobicContact CB-CG 3.92Å; E76-R81 HydrophobicContact CG-CG 4.09Å
77H95.1Very high96.2Very high50 Ų5045.7 Ų45.723%0.23123%0.231CC..THydrogen-bonded Turntrans46.150.6-176.7-47.2133.9000113I79 G163 V164 R182 D184H77-I79 PolarHBondContact O-N 2.87Å; H77-I79 VanDerWaalsContact O-N 3.09Å; H77-G163 WeakPolarHBondContact CA-O 3.04Å; H77-V164 HydrophobicContact CB-CG1 4.31Å; H77-V164 VanDerWaalsContact O-CG1 3.24Å; H77-V164 WeakPolarHBondContact O-CG1 3.5Å; H77-R182 PolarHBondContact O-NH2 3.49Å; H77-D184 HydrophobicContact CB-CB 3.88Å; H77-D184 IonicContact CG-OD2 3.96Å
78G94.7Very high96.5Very high17 Ų1748.3 Ų48.318%0.17522%0.224CC..THydrogen-bonded Turntrans70.90.6179.400000115.4T18 E76T18-G78 WeakPolarHBondContact OG1-CA 3.4Å; T18-G78 PolarHBondContact OG1-N 3.22Å; T18-G78 VanDerWaalsContact OG1-N 3.07Å; E76-G78 VanDerWaalsContact C-N 3.29Å; E76-G78 PolarHBondContact O-N 3.01Å
79I96.8Very high96.8Very high9 Ų944.6 Ų44.65%0.04620%0.204CC..EExtended strand (participates in β ladder)trans-110.8126.3-178.8-54.2-49.6000109.9I75 E76 H77 R81 P117 N120I75-I79 WeakPolarHBondContact CA-O 3.45Å; E76-I79 PolarHBondContact N-O 3.44Å; E76-I79 PolarHBondContact O-N 3.09Å; H77-I79 PolarHBondContact O-N 2.87Å; H77-I79 VanDerWaalsContact O-N 3.09Å; I79-R81 PolarHBondContact O-N 3.19Å; I79-P117 VanDerWaalsContact CD1-CD 3.49Å; I79-P117 HydrophobicContact CD1-CG 4.46Å; I79-N120 WeakPolarHBondContact CG2-ND2 3.33Å
80I97.9Very high97Very high10 Ų1044.6 Ų44.65%0.05120%0.204CC..EExtended strand (participates in β ladder)trans-65.2121.9172.1-59.4162.4000108.6I75 W83 M86 W90 N120 M124I75-I80 HydrophobicContact CD1-CG1 3.94Å; I75-I80 HydrophobicContact CG1-CG1 3.93Å; I80-W83 HydrophobicContact CB-CH2 4.11Å; I80-W83 HydrophobicContact CB-CZ2 4.11Å; I80-W83 HydrophobicContact CB-CZ3 4.37Å; I80-W83 HydrophobicContact CD1-CE3 4.44Å; I80-W83 HydrophobicContact CD1-CH2 3.85Å; I80-W83 HydrophobicContact CD1-CZ3 3.73Å; I80-W83 HydrophobicContact CG2-CD2 3.78Å; I80-W83 HydrophobicContact CG2-CE3 3.84Å; I80-W83 HydrophobicContact CG2-CG 4.31Å; I80-W83 HydrophobicContact CG2-CH2 4.24Å; I80-W83 HydrophobicContact CG2-CZ2 4.17Å; I80-W83 HydrophobicContact CG2-CZ3 4.1Å; I80-M86 HydrophobicContact CD1-CG 4.05Å; I80-M86 HydrophobicContact CG1-CG 4.28Å; I80-M86 HydrophobicContact CG1-SD 4.48Å; I80-M86 HydrophobicContact CG2-CB 3.99Å; I80-M86 HydrophobicContact CG2-CG 4.19Å; I80-W90 HydrophobicContact CD1-CH2 3.86Å; I80-W90 HydrophobicContact CD1-CZ2 3.87Å; I80-N120 PolarHBondContact O-ND2 3.13Å; I80-N120 VanDerWaalsContact O-ND2 3.07Å; I80-M124 HydrophobicContact CD1-CG 3.96Å; I80-M124 HydrophobicContact CD1-SD 3.96Å
81R97.4Very high97.1Very high155 Ų15544 Ų4459%0.58520%0.204SC*.  trans-106.7-36.2177.5-61.3-57.1-175.9173.9-0.8112.1P74 E76 I79P74-R81 PolarHBondContact O-N 2.88Å; E76-R81 HydrophobicContact CB-CG 3.92Å; E76-R81 HydrophobicContact CG-CG 4.09Å; I79-R81 PolarHBondContact O-N 3.19Å
82D98Very high97Very high22 Ų2245.4 Ų45.412%0.11821%0.208CC..  trans-113106.2175-163.2-52.6000110.9R72 P74 N84 D85 M86R72-D82 IonicContact CZ-OD2 3.39Å; R72-D82 IonicContact NH1-OD2 2.87Å; R72-D82 PolarHBondContact NH1-OD2 2.76Å; R72-D82 IonicContact NH2-OD2 3.13Å; R72-D82 PolarHBondContact NH2-OD2 2.79Å; P74-D82 HydrophobicContact CB-CB 4.26Å; P74-D82 WeakPolarHBondContact CB-O 3.33Å; P74-D82 PolarHBondContact O-N 3.26Å; P74-D82 VanDerWaalsContact O-N 3.12Å; D82-N84 WeakPolarHBondContact OD1-CB 3.39Å; D82-N84 PolarHBondContact OD1-N 3.46Å; D82-D85 HydrophobicContact CB-CB 4.15Å; D82-D85 PolarHBondContact OD1-N 3.48Å; D82-M86 WeakPolarHBondContact O-CB 3.42Å; D82-M86 PolarHBondContact O-N 2.8Å
83W98Very high97Very high52 Ų5239.6 Ų39.620%0.19719%0.186CC..Hα-helixtrans-75.2-31.4-179.4-67.698.3000113I80 M86 E87 W90 N120 K123 M124 I127I80-W83 HydrophobicContact CB-CH2 4.11Å; I80-W83 HydrophobicContact CB-CZ2 4.11Å; I80-W83 HydrophobicContact CB-CZ3 4.37Å; I80-W83 HydrophobicContact CD1-CE3 4.44Å; I80-W83 HydrophobicContact CD1-CH2 3.85Å; I80-W83 HydrophobicContact CD1-CZ3 3.73Å; I80-W83 HydrophobicContact CG2-CD2 3.78Å; I80-W83 HydrophobicContact CG2-CE3 3.84Å; I80-W83 HydrophobicContact CG2-CG 4.31Å; I80-W83 HydrophobicContact CG2-CH2 4.24Å; I80-W83 HydrophobicContact CG2-CZ2 4.17Å; I80-W83 HydrophobicContact CG2-CZ3 4.1Å; W83-M86 PolarHBondContact O-N 3Å; W83-E87 WeakPolarHBondContact O-CB 3.22Å; W83-E87 PolarHBondContact O-N 3.15Å; W83-W90 HydrophobicContact CE3-CH2 4.38Å; W83-W90 AromaticContact CZ3-CH2 3.99Å; W83-W90 HydrophobicContact CZ3-CH2 3.99Å; W83-W90 HydrophobicContact CZ3-CZ3 4.47Å; W83-N120 HydrophobicContact CH2-CB 4.27Å; W83-N120 VanDerWaalsContact CH2-O 3.31Å; W83-N120 WeakPolarHBondContact CH2-O 3.46Å; W83-N120 HydrophobicContact CZ2-CB 4.09Å; W83-K123 HydrophobicContact CD2-CB 4.47Å; W83-K123 HydrophobicContact CD2-CG 3.6Å; W83-K123 HydrophobicContact CE3-CB 4.4Å; W83-K123 HydrophobicContact CE3-CG 3.65Å; W83-K123 HydrophobicContact CG-CG 4.29Å; W83-K123 HydrophobicContact CH2-CB 3.64Å; W83-K123 HydrophobicContact CH2-CG 3.8Å; W83-K123 HydrophobicContact CZ2-CB 3.72Å; W83-K123 HydrophobicContact CZ2-CG 3.77Å; W83-K123 HydrophobicContact CZ3-CB 3.98Å; W83-K123 HydrophobicContact CZ3-CG 3.72Å; W83-M124 HydrophobicContact CH2-CG 3.87Å; W83-M124 HydrophobicContact CZ3-CG 3.82Å; W83-I127 HydrophobicContact CD2-CD1 4.35Å; W83-I127 HydrophobicContact CE3-CD1 3.46Å; W83-I127 VanDerWaalsContact CE3-CD1 3.46Å; W83-I127 HydrophobicContact CZ3-CD1 4.03Å
84N97.8Very high96.9Very high111 Ų11138.7 Ų38.759%0.59418%0.183SC*.Hα-helixtrans-68.5-45.1-179.9-63.4-26.3000110.2D82 M86 R88D82-N84 WeakPolarHBondContact OD1-CB 3.39Å; D82-N84 PolarHBondContact OD1-N 3.46Å; N84-M86 VanDerWaalsContact C-N 3.34Å; N84-R88 WeakPolarHBondContact O-CG 3.39Å; N84-R88 PolarHBondContact O-N 3.36Å
85D97.8Very high96.6Very high3 Ų340 Ų402%0.01620%0.196CC..Hα-helixtrans-67.2-37.6176.9-73.5-6.9000110.5I39 R41 R72 P74 D82 R88 I89I39-D85 HydrophobicContact CG2-CB 4.16Å; I39-D85 WeakPolarHBondContact CG2-OD2 3.4Å; R41-D85 IonicContact CZ-OD1 2.63Å; R41-D85 IonicContact NH1-OD1 2.59Å; R41-D85 PolarHBondContact NH1-OD1 3.23Å; R41-D85 IonicContact NH1-OD2 2.7Å; R41-D85 PolarHBondContact NH1-OD2 3.45Å; R41-D85 VanDerWaalsContact NH1-OD2 3.16Å; R41-D85 IonicContact NH2-OD1 3.08Å; R41-D85 PolarHBondContact NH2-OD1 3.26Å; R41-D85 IonicContact NH2-OD2 2.99Å; R72-D85 IonicContact CZ-OD2 3.4Å; R72-D85 IonicContact NE-OD2 3.26Å; R72-D85 IonicContact NH1-OD2 2.66Å; R72-D85 PolarHBondContact NH1-OD2 3.38Å; P74-D85 HydrophobicContact CB-CB 3.93Å; D82-D85 HydrophobicContact CB-CB 4.15Å; D82-D85 PolarHBondContact OD1-N 3.48Å; D85-R88 PolarHBondContact O-N 3.3Å; D85-I89 WeakPolarHBondContact O-CG1 3.34Å; D85-I89 PolarHBondContact O-N 3.15Å; D85-I89 VanDerWaalsContact O-N 3.12Å
86M98Very high96Very high0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-67.3-41.4176.9-16367.5-115.100112.7L21 P74 I75 I80 D82 W83 N84 R88 I89 W90L21-M86 HydrophobicContact CD1-CE 3.92Å; P74-M86 HydrophobicContact CB-CB 4.21Å; P74-M86 HydrophobicContact CB-SD 4.35Å; P74-M86 HydrophobicContact CG-SD 4Å; I75-M86 HydrophobicContact CD1-SD 3.88Å; I75-M86 HydrophobicContact CG1-SD 4Å; I80-M86 HydrophobicContact CD1-CG 4.05Å; I80-M86 HydrophobicContact CG1-CG 4.28Å; I80-M86 HydrophobicContact CG1-SD 4.48Å; I80-M86 HydrophobicContact CG2-CB 3.99Å; I80-M86 HydrophobicContact CG2-CG 4.19Å; D82-M86 WeakPolarHBondContact O-CB 3.42Å; D82-M86 PolarHBondContact O-N 2.8Å; W83-M86 PolarHBondContact O-N 3Å; N84-M86 VanDerWaalsContact C-N 3.34Å; M86-R88 VanDerWaalsContact C-N 3.34Å; M86-R88 PolarHBondContact O-N 3.37Å; M86-I89 HydrophobicContact CE-CB 3.8Å; M86-I89 HydrophobicContact CE-CD1 4.49Å; M86-I89 HydrophobicContact CE-CG2 3.6Å; M86-I89 PolarHBondContact O-N 3.33Å; M86-I89 VanDerWaalsContact O-N 3.16Å; M86-W90 HydrophobicContact CB-CH2 4.49Å; M86-W90 HydrophobicContact CE-CD2 4.3Å; M86-W90 HydrophobicContact CE-CG 4.26Å; M86-W90 HydrophobicContact CE-CZ2 4.3Å; M86-W90 VanDerWaalsContact CE-NE1 3.34Å; M86-W90 HydrophobicContact CG-CD2 4.02Å; M86-W90 HydrophobicContact CG-CE3 4.22Å; M86-W90 HydrophobicContact CG-CH2 3.63Å; M86-W90 HydrophobicContact CG-CZ2 3.39Å; M86-W90 HydrophobicContact CG-CZ3 4.05Å; M86-W90 PolarHBondContact O-N 3.03Å; M86-W90 HydrophobicContact SD-CZ2 4.34Å
87E97.5Very high95.4Very high66 Ų6648 Ų4831%0.30823%0.233SC..Hα-helixtrans-61.9-41.6176.6-172.6179.8135.400111.5W83 I89 W90 A91 I127 T131 F132W83-E87 WeakPolarHBondContact O-CB 3.22Å; W83-E87 PolarHBondContact O-N 3.15Å; E87-I89 VanDerWaalsContact C-N 3.31Å; E87-I89 PolarHBondContact O-N 3.17Å; E87-W90 PolarHBondContact O-N 3.09Å; E87-A91 WeakPolarHBondContact O-CB 3.45Å; E87-A91 PolarHBondContact O-N 3.44Å; E87-I127 HydrophobicContact CG-CG2 4.12Å; E87-T131 WeakPolarHBondContact OE1-CG2 3.4Å; E87-F132 HydrophobicContact CG-CE2 4.18Å; E87-F132 HydrophobicContact CG-CZ 4.18Å
88R96.4Very high95.1Very high111 Ų11146 Ų4642%0.41922%0.224SC..Hα-helixtrans-60.6-40.5173.3-70175.5-172.2-167.50.3112.1I39 D56 I58 N84 D85 M86 A91 Y92I39-R88 HydrophobicContact CD1-CB 4.35Å; D56-R88 IonicContact OD1-NH1 3.39Å; D56-R88 PolarHBondContact OD1-NH1 3.05Å; D56-R88 VanDerWaalsContact OD1-NH1 3.08Å; D56-R88 IonicContact OD2-CZ 3.33Å; D56-R88 IonicContact OD2-NE 3.99Å; D56-R88 IonicContact OD2-NH1 2.63Å; D56-R88 PolarHBondContact OD2-NH1 3.24Å; I58-R88 HydrophobicContact CD1-CB 4.06Å; N84-R88 WeakPolarHBondContact O-CG 3.39Å; N84-R88 PolarHBondContact O-N 3.36Å; D85-R88 PolarHBondContact O-N 3.3Å; M86-R88 VanDerWaalsContact C-N 3.34Å; M86-R88 PolarHBondContact O-N 3.37Å; R88-A91 PolarHBondContact O-N 3.26Å; R88-Y92 WeakPolarHBondContact O-CB 3.46Å; R88-Y92 PolarHBondContact O-N 2.9Å
89I97.2Very high95Very high0 Ų045.7 Ų45.70%022%0.218CC..Hα-helixtrans-66.3-40.5175.7-68.5174.6000111.3L21 F35 N37 I58 P74 D85 M86 E87 Y92 I93L21-I89 HydrophobicContact CD1-CG2 3.92Å; F35-I89 HydrophobicContact CE2-CG2 3.95Å; F35-I89 HydrophobicContact CZ-CG2 4.13Å; N37-I89 WeakPolarHBondContact OD1-CD1 3.5Å; I58-I89 HydrophobicContact CD1-CG1 3.99Å; I58-I89 HydrophobicContact CG1-CG1 4.19Å; I58-I89 HydrophobicContact CG2-CG1 4.02Å; P74-I89 HydrophobicContact CG-CD1 3.71Å; D85-I89 WeakPolarHBondContact O-CG1 3.34Å; D85-I89 PolarHBondContact O-N 3.15Å; D85-I89 VanDerWaalsContact O-N 3.12Å; M86-I89 HydrophobicContact CE-CB 3.8Å; M86-I89 HydrophobicContact CE-CD1 4.49Å; M86-I89 HydrophobicContact CE-CG2 3.6Å; M86-I89 PolarHBondContact O-N 3.33Å; M86-I89 VanDerWaalsContact O-N 3.16Å; E87-I89 VanDerWaalsContact C-N 3.31Å; E87-I89 PolarHBondContact O-N 3.17Å; I89-Y92 WeakPolarHBondContact O-CB 3.41Å; I89-Y92 PolarHBondContact O-N 3.35Å; I89-I93 WeakPolarHBondContact O-CG1 3.48Å; I89-I93 PolarHBondContact O-N 3.36Å
90W97.4Very high94.8Very high0 Ų051.6 Ų51.60%025%0.247CC..Hα-helixtrans-66.5-40.4174.8-67.9-34.6000112.5I16 I80 W83 M86 E87 Y92 I93 Y94 M124 I127 F128 F132I16-W90 HydrophobicContact CD1-CZ2 4.03Å; I80-W90 HydrophobicContact CD1-CH2 3.86Å; I80-W90 HydrophobicContact CD1-CZ2 3.87Å; W83-W90 HydrophobicContact CE3-CH2 4.38Å; W83-W90 AromaticContact CZ3-CH2 3.99Å; W83-W90 HydrophobicContact CZ3-CH2 3.99Å; W83-W90 HydrophobicContact CZ3-CZ3 4.47Å; M86-W90 HydrophobicContact CB-CH2 4.49Å; M86-W90 HydrophobicContact CE-CD2 4.3Å; M86-W90 HydrophobicContact CE-CG 4.26Å; M86-W90 HydrophobicContact CE-CZ2 4.3Å; M86-W90 VanDerWaalsContact CE-NE1 3.34Å; M86-W90 HydrophobicContact CG-CD2 4.02Å; M86-W90 HydrophobicContact CG-CE3 4.22Å; M86-W90 HydrophobicContact CG-CH2 3.63Å; M86-W90 HydrophobicContact CG-CZ2 3.39Å; M86-W90 HydrophobicContact CG-CZ3 4.05Å; M86-W90 PolarHBondContact O-N 3.03Å; M86-W90 HydrophobicContact SD-CZ2 4.34Å; E87-W90 PolarHBondContact O-N 3.09Å; W90-Y92 VanDerWaalsContact C-N 3.26Å; W90-Y92 PolarHBondContact O-N 2.89Å; W90-I93 WeakPolarHBondContact O-CB 3.32Å; W90-I93 PolarHBondContact O-N 3.22Å; W90-I93 VanDerWaalsContact O-N 3.11Å; W90-Y94 WeakPolarHBondContact O-CD2 3.48Å; W90-Y94 PolarHBondContact O-N 2.97Å; W90-M124 HydrophobicContact CH2-CG 4Å; W90-M124 HydrophobicContact CZ2-CG 4.45Å; W90-I127 HydrophobicContact CE3-CG2 3.86Å; W90-I127 HydrophobicContact CZ3-CB 4.2Å; W90-I127 HydrophobicContact CZ3-CD1 3.88Å; W90-I127 HydrophobicContact CZ3-CG2 3.83Å; W90-F128 HydrophobicContact CB-CZ 4.28Å; W90-F128 AromaticContact CD1-CZ 3.93Å; W90-F128 AromaticContact CD2-CE2 3.55Å; W90-F128 HydrophobicContact CD2-CE2 3.55Å; W90-F128 AromaticContact CD2-CZ 3.7Å; W90-F128 HydrophobicContact CD2-CZ 3.7Å; W90-F128 AromaticContact CE2-CE2 3.62Å; W90-F128 AromaticContact CE2-CZ 3.91Å; W90-F128 HydrophobicContact CE3-CD2 4.38Å; W90-F128 AromaticContact CE3-CE2 3.67Å; W90-F128 HydrophobicContact CE3-CE2 3.67Å; W90-F128 HydrophobicContact CE3-CZ 4.18Å; W90-F128 HydrophobicContact CG-CE2 4.11Å; W90-F128 AromaticContact CG-CZ 3.74Å; W90-F128 HydrophobicContact CG-CZ 3.74Å; W90-F128 HydrophobicContact CH2-CE2 4.01Å; W90-F128 AromaticContact CZ2-CE2 3.88Å; W90-F128 HydrophobicContact CZ2-CE2 3.88Å; W90-F128 HydrophobicContact CZ3-CD2 4.39Å; W90-F128 AromaticContact CZ3-CE2 3.9Å; W90-F128 HydrophobicContact CZ3-CE2 3.9Å; W90-F128 AromaticContact NE1-CZ 4Å; W90-F132 HydrophobicContact CB-CE2 3.7Å; W90-F132 HydrophobicContact CB-CZ 3.62Å; W90-F132 HydrophobicContact CE3-CE2 4.15Å
91A96.2Very high94.6Very high49 Ų4952.8 Ų52.841%0.40526%0.255SS..Hα-helixtrans-60.9-37.8173.300000111.7E87 R88 I93 Y94 G95 F132E87-A91 WeakPolarHBondContact O-CB 3.45Å; E87-A91 PolarHBondContact O-N 3.44Å; R88-A91 PolarHBondContact O-N 3.26Å; A91-I93 VanDerWaalsContact C-N 3.31Å; A91-I93 PolarHBondContact O-N 3.4Å; A91-Y94 PolarHBondContact O-N 3.12Å; A91-G95 PolarHBondContact O-N 3.49Å; A91-F132 HydrophobicContact CB-CE1 3.93Å; A91-F132 HydrophobicContact CB-CZ 4.07Å
92Y95.7Very high94.4Very high34 Ų3448.5 Ų48.513%0.13324%0.244CC..Hα-helixtrans-60.4-37.3174.4177.9-100.5000112.8F35 I58 P60 R88 I89 W90 Y94 G95 D97 Q98F35-Y92 HydrophobicContact CD1-CE1 4.28Å; F35-Y92 HydrophobicContact CE1-CD1 4.04Å; F35-Y92 AromaticContact CE1-CE1 3.98Å; F35-Y92 HydrophobicContact CE1-CE1 3.98Å; F35-Y92 HydrophobicContact CE2-CD1 4.13Å; F35-Y92 HydrophobicContact CE2-CE1 4.33Å; F35-Y92 AromaticContact CZ-CD1 3.7Å; F35-Y92 HydrophobicContact CZ-CD1 3.7Å; F35-Y92 HydrophobicContact CZ-CE1 4.02Å; I58-Y92 HydrophobicContact CB-CD1 4.19Å; I58-Y92 HydrophobicContact CB-CD2 4.16Å; I58-Y92 HydrophobicContact CB-CG 3.97Å; I58-Y92 HydrophobicContact CG2-CD1 3.49Å; I58-Y92 VanDerWaalsContact CG2-CD1 3.49Å; I58-Y92 HydrophobicContact CG2-CD2 4.35Å; I58-Y92 HydrophobicContact CG2-CE1 3.99Å; I58-Y92 HydrophobicContact CG2-CG 3.69Å; P60-Y92 WeakPolarHBondContact CD-OH 3.39Å; R88-Y92 WeakPolarHBondContact O-CB 3.46Å; R88-Y92 PolarHBondContact O-N 2.9Å; I89-Y92 WeakPolarHBondContact O-CB 3.41Å; I89-Y92 PolarHBondContact O-N 3.35Å; W90-Y92 VanDerWaalsContact C-N 3.26Å; W90-Y92 PolarHBondContact O-N 2.89Å; Y92-Y94 PolarHBondContact O-N 3.49Å; Y92-G95 PolarHBondContact O-N 3.01Å; Y92-G95 VanDerWaalsContact O-N 3.15Å; Y92-D97 HydrophobicContact CE2-CB 4.14Å; Y92-Q98 HydrophobicContact CD1-CG 3.76Å; Y92-Q98 VanDerWaalsContact CE1-CD 3.42Å; Y92-Q98 HydrophobicContact CE1-CG 3.38Å; Y92-Q98 HydrophobicContact CE2-CG 4.36Å; Y92-Q98 HydrophobicContact CG-CG 4.4Å; Y92-Q98 WeakPolarHBondContact O-CB 3.49Å; Y92-Q98 VanDerWaalsContact O-CG 3.22Å; Y92-Q98 WeakPolarHBondContact O-CG 3.33Å; Y92-Q98 PolarHBondContact OH-NE2 2.86Å; Y92-Q98 VanDerWaalsContact OH-NE2 3.09Å
93I95.7Very high94.3Very high0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-61.2-41.7177.9-65.4165.1000112.1I14 L21 A23 F35 I89 W90 A91 G95 Q98 L99I14-I93 HydrophobicContact CD1-CD1 4.14Å; I14-I93 HydrophobicContact CD1-CG2 4.45Å; I14-I93 HydrophobicContact CG2-CD1 3.89Å; L21-I93 HydrophobicContact CD1-CD1 3.77Å; L21-I93 HydrophobicContact CD2-CD1 3.39Å; L21-I93 HydrophobicContact CD2-CG1 3.82Å; L21-I93 HydrophobicContact CG-CD1 4.2Å; A23-I93 HydrophobicContact CB-CG1 4.46Å; A23-I93 HydrophobicContact CB-CG2 3.54Å; F35-I93 HydrophobicContact CE1-CG1 4.25Å; F35-I93 HydrophobicContact CZ-CG1 4.01Å; I89-I93 WeakPolarHBondContact O-CG1 3.48Å; I89-I93 PolarHBondContact O-N 3.36Å; W90-I93 WeakPolarHBondContact O-CB 3.32Å; W90-I93 PolarHBondContact O-N 3.22Å; W90-I93 VanDerWaalsContact O-N 3.11Å; A91-I93 VanDerWaalsContact C-N 3.31Å; A91-I93 PolarHBondContact O-N 3.4Å; I93-G95 VanDerWaalsContact C-N 3.31Å; I93-Q98 WeakPolarHBondContact O-CB 3.47Å; I93-L99 HydrophobicContact CG2-CD1 3.55Å; I93-L99 HydrophobicContact CG2-CG 4.06Å; I93-L99 WeakPolarHBondContact O-CB 3.09Å; I93-L99 WeakPolarHBondContact O-CG 3.4Å; I93-L99 PolarHBondContact O-N 2.89Å
94Y95.6Very high94.2Very high19 Ų1950.8 Ų50.88%0.07526%0.257CS..Hα-helixtrans-80.4-15.7177.9-67.1-74.2000112.8V12 I14 W90 A91 Y92 V101 F128 F132V12-Y94 HydrophobicContact CG1-CE1 4.47Å; V12-Y94 HydrophobicContact CG2-CE1 4.32Å; I14-Y94 HydrophobicContact CD1-CE2 4.44Å; W90-Y94 WeakPolarHBondContact O-CD2 3.48Å; W90-Y94 PolarHBondContact O-N 2.97Å; A91-Y94 PolarHBondContact O-N 3.12Å; Y92-Y94 PolarHBondContact O-N 3.49Å; Y94-V101 HydrophobicContact CD1-CG2 4.07Å; Y94-F128 HydrophobicContact CE2-CE1 4.14Å; Y94-F132 HydrophobicContact CD2-CD1 4.14Å; Y94-F132 HydrophobicContact CD2-CE1 4.3Å; Y94-F132 HydrophobicContact CE2-CD1 4.34Å
95G92.6Very high94Very high26 Ų2650.5 Ų50.527%0.26825%0.252SS..SBendtrans-64.4172.7-17700000115.1A91 Y92 I93 D97 Q98 M100A91-G95 PolarHBondContact O-N 3.49Å; Y92-G95 PolarHBondContact O-N 3.01Å; Y92-G95 VanDerWaalsContact O-N 3.15Å; I93-G95 VanDerWaalsContact C-N 3.31Å; G95-D97 PolarHBondContact O-N 2.97Å; G95-Q98 PolarHBondContact O-N 2.93Å; G95-Q98 VanDerWaalsContact O-N 3.09Å; G95-M100 PolarHBondContact O-N 2.86Å
96K84Confident93.9Very high188 Ų18851.2 Ų51.282%0.81726%0.256SS*.THydrogen-bonded Turntrans-61.5-27.9-175.9-65.6-176.6-179.6179.70114.4Q98 M100K96-Q98 VanDerWaalsContact C-N 3.27Å; K96-M100 WeakPolarHBondContact O-CG 3.35Å
97D82.9Confident93.8Very high86 Ų8651.3 Ų51.346%0.4626%0.256SS..THydrogen-bonded Turntrans-82.4-7.8-178.5-68.2-17.7000112K61 Y92 G95K61-D97 IonicContact NZ-OD2 3.84Å; K61-D97 PolarHBondContact NZ-OD2 3.07Å; Y92-D97 HydrophobicContact CE2-CB 4.14Å; G95-D97 PolarHBondContact O-N 2.97Å
98Q89.5Confident93.8Very high9 Ų948.1 Ų48.14%0.04224%0.241CC..THydrogen-bonded Turntrans-128.5-120.3-173.4-58.6-63.6-7300110.4Y33 Y92 I93 G95 K96 M100Y33-Q98 HydrophobicContact CD1-CB 4.36Å; Y33-Q98 HydrophobicContact CD2-CB 4.24Å; Y33-Q98 HydrophobicContact CE1-CB 4.44Å; Y33-Q98 HydrophobicContact CE2-CB 4.35Å; Y33-Q98 WeakPolarHBondContact CE2-O 3.48Å; Y33-Q98 HydrophobicContact CG-CB 4.27Å; Y33-Q98 PolarHBondContact OH-O 2.9Å; Y92-Q98 HydrophobicContact CD1-CG 3.76Å; Y92-Q98 VanDerWaalsContact CE1-CD 3.42Å; Y92-Q98 HydrophobicContact CE1-CG 3.38Å; Y92-Q98 HydrophobicContact CE2-CG 4.36Å; Y92-Q98 HydrophobicContact CG-CG 4.4Å; Y92-Q98 WeakPolarHBondContact O-CB 3.49Å; Y92-Q98 VanDerWaalsContact O-CG 3.22Å; Y92-Q98 WeakPolarHBondContact O-CG 3.33Å; Y92-Q98 PolarHBondContact OH-NE2 2.86Å; Y92-Q98 VanDerWaalsContact OH-NE2 3.09Å; I93-Q98 WeakPolarHBondContact O-CB 3.47Å; G95-Q98 PolarHBondContact O-N 2.93Å; G95-Q98 VanDerWaalsContact O-N 3.09Å; K96-Q98 VanDerWaalsContact C-N 3.27Å; Q98-M100 PolarHBondContact O-N 2.8Å; Q98-M100 VanDerWaalsContact O-N 3.16Å
99L92.6Very high93.8Very high9 Ų942.9 Ų42.95%0.04722%0.221CC..THydrogen-bonded Turntrans-64.4-23.2-170.9-65174.2000113.9V12 F25 K32 Y33 I93 V101V12-L99 HydrophobicContact CG1-CD1 3.61Å; V12-L99 HydrophobicContact CG2-CD1 4.11Å; F25-L99 HydrophobicContact CD2-CD2 4.35Å; F25-L99 HydrophobicContact CE2-CD2 3.8Å; F25-L99 HydrophobicContact CZ-CB 4.29Å; F25-L99 HydrophobicContact CZ-CD2 4.05Å; K32-L99 HydrophobicContact CB-CD2 4.4Å; Y33-L99 HydrophobicContact CD2-CD2 3.72Å; Y33-L99 HydrophobicContact CD2-CG 4.17Å; Y33-L99 HydrophobicContact CE2-CD2 3.79Å; Y33-L99 HydrophobicContact CE2-CG 4.28Å; I93-L99 HydrophobicContact CG2-CD1 3.55Å; I93-L99 HydrophobicContact CG2-CG 4.06Å; I93-L99 WeakPolarHBondContact O-CB 3.09Å; I93-L99 WeakPolarHBondContact O-CG 3.4Å; I93-L99 PolarHBondContact O-N 2.89Å; L99-V101 VanDerWaalsContact C-N 3.3Å; L99-V101 HydrophobicContact CB-CG2 3.85Å; L99-V101 PolarHBondContact O-N 2.78Å
100M92.9Very high93.9Very high134 Ų13442.9 Ų42.966%0.6622%0.221SC*.  trans55.241.4-178.1-60.6-176.5-71.600113.5G95 K96 Q98G95-M100 PolarHBondContact O-N 2.86Å; K96-M100 WeakPolarHBondContact O-CG 3.35Å; Q98-M100 PolarHBondContact O-N 2.8Å; Q98-M100 VanDerWaalsContact O-N 3.16Å
101V93.6Very high93.9Very high34 Ų3443 Ų4321%0.20622%0.222CC..SBendtrans-133.9153.8179.3-62.90000111F25 Y94 L99F25-V101 HydrophobicContact CE1-CG1 4.19Å; F25-V101 HydrophobicContact CE1-CG2 4.3Å; F25-V101 HydrophobicContact CZ-CG1 3.77Å; F25-V101 HydrophobicContact CZ-CG2 4.21Å; Y94-V101 HydrophobicContact CD1-CG2 4.07Å; L99-V101 VanDerWaalsContact C-N 3.3Å; L99-V101 HydrophobicContact CB-CG2 3.85Å; L99-V101 PolarHBondContact O-N 2.78Å
102N94Very high93.9Very high66 Ų6641.5 Ų41.535%0.35321%0.207SC..  trans-77.9129171.4-172.2-0.9000109.9E104 E105 H106N102-E104 PolarHBondContact ND2-OE2 2.67Å; N102-E104 PolarHBondContact O-N 2.89Å; N102-E104 WeakPolarHBondContact OD1-CG 3.33Å; N102-E104 PolarHBondContact OD1-N 3.29Å; N102-E105 HydrophobicContact CB-CG 4.12Å; N102-E105 PolarHBondContact O-N 3.01Å; N102-E105 VanDerWaalsContact O-N 3.15Å; N102-H106 PolarHBondContact O-CD2 3.48Å
103S95.2Very high93.8Very high12 Ų1240.1 Ų40.18%0.08420%0.202CC..G310 helixtrans-61.2-29177.7510000112.9E105 H106 F132S103-E105 PolarHBondContact O-N 3.25Å; S103-H106 PolarHBondContact O-N 3.29Å; S103-F132 WeakPolarHBondContact CB-O 3.38Å; S103-F132 PolarHBondContact OG-O 3.44Å
104E95.2Very high93.7Very high109 Ų10940.1 Ų40.151%0.50920%0.202SC..G310 helixtrans-64.7-21.6178.1-59.8-179.6166.700113.3N102 P135N102-E104 PolarHBondContact ND2-OE2 2.67Å; N102-E104 PolarHBondContact O-N 2.89Å; N102-E104 WeakPolarHBondContact OD1-CG 3.33Å; N102-E104 PolarHBondContact OD1-N 3.29Å; E104-P135 WeakPolarHBondContact O-CD 3.24Å
105E94.1Very high93.5Very high105 Ų10544.7 Ų44.749%0.49122%0.224SC..G310 helixtrans-91.4-12.7-176.3-68.5176.3-168.800112.3N9 N102 S103N9-E105 WeakPolarHBondContact CB-O 3.37Å; N9-E105 PolarHBondContact ND2-O 2.82Å; N102-E105 HydrophobicContact CB-CG 4.12Å; N102-E105 PolarHBondContact O-N 3.01Å; N102-E105 VanDerWaalsContact O-N 3.15Å; S103-E105 PolarHBondContact O-N 3.25Å
106H95.1Very high93.6Very high19 Ų1944 Ų449%0.08821%0.214CC..SBendtrans-131.3129-169.4-67.8-94.9000112.8Q10 V12 F25 N102 S103 P135Q10-H106 PolarHBondContact O-ND1 3.19Å; V12-H106 HydrophobicContact CG2-CB 3.87Å; F25-H106 AromaticContact CE1-CE1 3.96Å; N102-H106 PolarHBondContact O-CD2 3.48Å; S103-H106 PolarHBondContact O-N 3.29Å; H106-P135 WeakPolarHBondContact O-CD 3.23Å
107P96.2Very high94.1Very high1 Ų137.8 Ų37.81%0.00619%0.193CC..  trans-59.3154.5167.1-16.226.3000111.6I7 P11 V12 P135 A136 W356I7-P107 HydrophobicContact CB-CG 4.27Å; I7-P107 HydrophobicContact CD1-CG 4.39Å; I7-P107 HydrophobicContact CG1-CG 4.35Å; I7-P107 HydrophobicContact CG2-CB 4.31Å; I7-P107 HydrophobicContact CG2-CG 3.06Å; P11-P107 CarbonylContact C-O 3.59Å; P11-P107 WeakPolarHBondContact CA-O 3.49Å; P11-P107 HydrophobicContact CB-CB 4.24Å; P11-P107 HydrophobicContact CG-CB 4.45Å; P11-P107 HydrophobicContact CG-CG 4.35Å; V12-P107 PolarHBondContact N-O 2.98Å; P107-P135 HydrophobicContact CG-CG 4.48Å; P107-A136 CarbonylContact C-O 3.37Å; P107-A136 VanDerWaalsContact CA-O 3.25Å; P107-A136 WeakPolarHBondContact CA-O 3.41Å; P107-A136 HydrophobicContact CB-CB 4.18Å; P107-W356 HydrophobicContact CB-CD2 4.43Å; P107-W356 HydrophobicContact CB-CE3 4.09Å; P107-W356 HydrophobicContact CB-CH2 3.88Å; P107-W356 HydrophobicContact CB-CZ2 4.23Å; P107-W356 HydrophobicContact CB-CZ3 3.8Å
108V97.3Very high94.6Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-128.3119.5-178.670.50000113.4V12 I14 L110 F128 V134 A136 L137 Y138 W356V12-V108 CarbonylContact O-C 3.54Å; V12-V108 WeakPolarHBondContact O-CA 3.34Å; I14-V108 HydrophobicContact CD1-CG2 3.73Å; I14-V108 HydrophobicContact CG1-CG2 3.99Å; V108-L110 HydrophobicContact CG1-CD2 4.45Å; V108-L110 HydrophobicContact CG1-CG 4.46Å; V108-L110 HydrophobicContact CG2-CD2 3.51Å; V108-L110 HydrophobicContact CG2-CG 4.24Å; V108-F128 HydrophobicContact CB-CD1 4.45Å; V108-F128 HydrophobicContact CG1-CB 4.48Å; V108-F128 HydrophobicContact CG1-CD1 3.7Å; V108-F128 HydrophobicContact CG1-CE1 4.21Å; V108-F128 HydrophobicContact CG1-CG 4.24Å; V108-F128 HydrophobicContact CG2-CD1 4.33Å; V108-F128 HydrophobicContact CG2-CE1 3.98Å; V108-V134 HydrophobicContact CB-CG1 4.43Å; V108-V134 HydrophobicContact CG1-CB 4.17Å; V108-V134 HydrophobicContact CG1-CG1 3.95Å; V108-V134 HydrophobicContact CG1-CG2 3.88Å; V108-A136 PolarHBondContact N-O 3.37Å; V108-L137 HydrophobicContact CG1-CB 4.11Å; V108-L137 HydrophobicContact CG1-CD1 3.99Å; V108-L137 HydrophobicContact CG1-CG 4.16Å; V108-L137 WeakPolarHBondContact O-CA 3.39Å; V108-Y138 PolarHBondContact O-N 3.01Å; V108-W356 VanDerWaalsContact C-CZ3 3.47Å; V108-W356 VanDerWaalsContact O-CZ3 3.31Å; V108-W356 WeakPolarHBondContact O-CZ3 3.41Å
109L97.8Very high94.9Very high0 Ų048.8 Ų48.80%023%0.231CC..EExtended strand (participates in β ladder)trans-90.2119.3166.5-170.2152.3000108.8V12 V13 I14 T111 Y138 L145 L346 A347 F352 W356V12-L109 PolarHBondContact O-N 3.28Å; V13-L109 HydrophobicContact CG1-CD2 4.19Å; V13-L109 HydrophobicContact CG2-CB 4.35Å; I14-L109 PolarHBondContact N-O 3.29Å; L109-T111 HydrophobicContact CD2-CG2 4.37Å; L109-Y138 CarbonylContact C-O 3.57Å; L109-Y138 WeakPolarHBondContact CA-O 3.32Å; L109-Y138 HydrophobicContact CD1-CD1 4.12Å; L109-Y138 HydrophobicContact CG-CD1 4.25Å; L109-L145 HydrophobicContact CD2-CD1 3.97Å; L109-L346 HydrophobicContact CD1-CD2 4.27Å; L109-A347 HydrophobicContact CD1-CB 4.08Å; L109-F352 HydrophobicContact CD1-CE1 4.26Å; L109-F352 HydrophobicContact CD1-CZ 4.21Å; L109-W356 HydrophobicContact CB-CH2 3.93Å
110L98.1Very high95Very high0 Ų049.3 Ų49.30%023%0.234CC..EExtended strand (participates in β ladder)trans-105148.3174.4-52.5177.6000110.1I14 I16 V108 M124 F128 L137 Y138 I139 S140I14-L110 HydrophobicContact CB-CD2 3.89Å; I14-L110 HydrophobicContact CD1-CD2 4.02Å; I14-L110 HydrophobicContact CG1-CD2 4.25Å; I16-L110 HydrophobicContact CD1-CB 4.13Å; I16-L110 HydrophobicContact CD1-CD2 4.26Å; V108-L110 HydrophobicContact CG1-CD2 4.45Å; V108-L110 HydrophobicContact CG1-CG 4.46Å; V108-L110 HydrophobicContact CG2-CD2 3.51Å; V108-L110 HydrophobicContact CG2-CG 4.24Å; L110-M124 HydrophobicContact CD1-CB 4.42Å; L110-F128 HydrophobicContact CD1-CD2 3.5Å; L110-F128 VanDerWaalsContact CD1-CD2 3.5Å; L110-F128 HydrophobicContact CD1-CE2 3.48Å; L110-F128 VanDerWaalsContact CD1-CE2 3.48Å; L110-F128 HydrophobicContact CD1-CG 4.11Å; L110-F128 HydrophobicContact CD1-CZ 4.08Å; L110-F128 HydrophobicContact CD2-CD2 4.42Å; L110-F128 HydrophobicContact CD2-CE1 3.94Å; L110-F128 HydrophobicContact CD2-CE2 3.78Å; L110-F128 HydrophobicContact CD2-CZ 3.5Å; L110-F128 HydrophobicContact CG-CE2 4.28Å; L110-F128 HydrophobicContact CG-CZ 4.43Å; L110-L137 HydrophobicContact CD1-CD1 3.81Å; L110-Y138 PolarHBondContact N-O 3.08Å; L110-I139 HydrophobicContact CB-CG1 4.25Å; L110-I139 HydrophobicContact CD1-CG1 4.44Å; L110-I139 CarbonylContact O-C 3.6Å; L110-I139 VanDerWaalsContact O-CA 3.32Å; L110-I139 WeakPolarHBondContact O-CA 3.48Å; L110-S140 PolarHBondContact O-N 2.76Å
111T97.2Very high95.2Very high2 Ų244 Ų441%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-103.1146.4173.872.20000111.4I14 D15 I16 L109 S140 Q142 L145 T339I14-T111 PolarHBondContact O-N 3.27Å; D15-T111 WeakPolarHBondContact CA-OG1 3.38Å; D15-T111 HydrophobicContact CB-CG2 4.12Å; D15-T111 PolarHBondContact OD1-OG1 2.74Å; I16-T111 PolarHBondContact N-OG1 3.25Å; L109-T111 HydrophobicContact CD2-CG2 4.37Å; T111-S140 CarbonylContact C-O 3.58Å; T111-S140 VanDerWaalsContact CA-O 3.29Å; T111-S140 WeakPolarHBondContact CA-O 3.3Å; T111-Q142 PolarHBondContact OG1-NE2 2.92Å; T111-L145 HydrophobicContact CG2-CD1 3.64Å; T111-T339 HydrophobicContact CG2-CG2 3.9Å
112E95.9Very high95.3Very high19 Ų1945.3 Ų45.39%0.08921%0.21CC..EExtended strand (participates in β ladder)trans-132151.3170.265.1174.8-167.100112.5N116 R121 M124 I139 S140 M141 Q142E112-N116 HydrophobicContact CB-CB 4.24Å; E112-N116 PolarHBondContact OE2-ND2 3.17Å; E112-R121 VanDerWaalsContact CD-NE 3.32Å; E112-R121 VanDerWaalsContact CD-NH2 3.3Å; E112-R121 IonicContact OE1-CZ 2.88Å; E112-R121 IonicContact OE1-NE 2.91Å; E112-R121 PolarHBondContact OE1-NE 2.75Å; E112-R121 IonicContact OE1-NH2 3.29Å; E112-R121 PolarHBondContact OE1-NH2 3.49Å; E112-R121 IonicContact OE2-CZ 3.82Å; E112-R121 IonicContact OE2-NE 2.75Å; E112-R121 PolarHBondContact OE2-NE 3.29Å; E112-R121 IonicContact OE2-NH2 3.23Å; E112-R121 PolarHBondContact OE2-NH2 3.21Å; E112-M124 HydrophobicContact CB-CE 4.49Å; E112-I139 HydrophobicContact CB-CG2 4.04Å; E112-I139 HydrophobicContact CG-CG2 3.69Å; E112-S140 PolarHBondContact N-O 3.16Å; E112-M141 WeakPolarHBondContact O-CA 3.38Å; E112-Q142 WeakPolarHBondContact O-CG 3.39Å; E112-Q142 PolarHBondContact O-N 3.27Å
113A94.4Very high95.5Very high4 Ų445.1 Ų45.13%0.03321%0.206CC..  trans-73.8155.2170.700000111N116 V164A113-N116 WeakPolarHBondContact O-CB 3.45Å; A113-N116 PolarHBondContact O-N 3.37Å; A113-V164 HydrophobicContact CB-CG2 4.11Å
114P93.9Very high95.6Very high1 Ų144.8 Ų44.81%0.00620%0.204CC..THydrogen-bonded Turntrans-57.6148.2173.1-19.630.1000112.2N116 M141 H166 V168 I180 R182P114-N116 PolarHBondContact O-N 3.43Å; P114-M141 HydrophobicContact CB-CE 4.35Å; P114-M141 HydrophobicContact CB-SD 4.19Å; P114-M141 HydrophobicContact CG-CG 4.05Å; P114-M141 HydrophobicContact CG-SD 3.83Å; P114-H166 VanDerWaalsContact CD-CE1 3.49Å; P114-H166 WeakPolarHBondContact CD-CE1 3.37Å; P114-H166 HydrophobicContact CG-CB 4.07Å; P114-H166 VanDerWaalsContact CG-CD2 3.49Å; P114-H166 WeakPolarHBondContact CG-CD2 3.39Å; P114-V168 HydrophobicContact CB-CG2 4.45Å; P114-V168 HydrophobicContact CG-CG2 3.68Å; P114-I180 HydrophobicContact CB-CG2 3.74Å; P114-I180 HydrophobicContact CG-CG2 4.39Å; P114-R182 WeakPolarHBondContact O-CD 3.16Å; P114-R182 PolarHBondContact O-NH1 3.26Å
115H92Very high95.7Very high114 Ų11439.6 Ų39.653%0.52818%0.179SC..THydrogen-bonded Turntrans58.227.7-176-52.2-53000114.7P117H115-P117 WeakPolarHBondContact O-CD 3.34Å
116N93.5Very high95.9Very high13 Ų1337.7 Ų37.77%0.0717%0.17CC..  trans-59.8125.7165.7-176.635000110E112 A113 P114 K118 N120 M124E112-N116 HydrophobicContact CB-CB 4.24Å; E112-N116 PolarHBondContact OE2-ND2 3.17Å; A113-N116 WeakPolarHBondContact O-CB 3.45Å; A113-N116 PolarHBondContact O-N 3.37Å; P114-N116 PolarHBondContact O-N 3.43Å; N116-K118 PolarHBondContact O-N 3.24Å; N116-N120 WeakPolarHBondContact OD1-CB 3.36Å; N116-M124 WeakPolarHBondContact ND2-CE 3.46Å
117P94.5Very high96Very high57 Ų5736.9 Ų36.937%0.3717%0.167SC..  trans-55.1140.1179.7-27.735.4000112.1I79 H115 R119 N120 R121I79-P117 VanDerWaalsContact CD1-CD 3.49Å; I79-P117 HydrophobicContact CD1-CG 4.46Å; H115-P117 WeakPolarHBondContact O-CD 3.34Å; P117-R119 VanDerWaalsContact C-N 3.25Å; P117-R119 PolarHBondContact O-N 3.03Å; P117-N120 HydrophobicContact CB-CB 4.4Å; P117-N120 WeakPolarHBondContact O-CA 3.34Å; P117-N120 WeakPolarHBondContact O-CB 3.47Å; P117-N120 PolarHBondContact O-N 2.85Å; P117-R121 PolarHBondContact O-N 2.93Å; P117-R121 VanDerWaalsContact O-N 3.15Å
118K93.7Very high96.1Very high119 Ų11936.9 Ų36.952%0.51717%0.166SC..Hα-helixtrans-51.3-46.2178-71.4-173.8179-174.20112N116 N120 R121 E122N116-K118 PolarHBondContact O-N 3.24Å; K118-N120 VanDerWaalsContact C-N 3.27Å; K118-N120 PolarHBondContact O-N 3.32Å; K118-R121 WeakPolarHBondContact O-CA 3.29Å; K118-R121 WeakPolarHBondContact O-CB 3.15Å; K118-R121 PolarHBondContact O-N 2.9Å; K118-E122 WeakPolarHBondContact O-CG 3.32Å; K118-E122 PolarHBondContact O-N 2.97Å
119R95.4Very high96.1Very high206 Ų20636.9 Ų36.978%0.77717%0.167SC*.Hα-helixtrans-57.3-36.7177.1-175.1179.6177.7-172.5-0.8113.3P117 E122 K123P117-R119 VanDerWaalsContact C-N 3.25Å; P117-R119 PolarHBondContact O-N 3.03Å; R119-E122 PolarHBondContact O-N 3.24Å; R119-K123 WeakPolarHBondContact O-CB 3.38Å; R119-K123 PolarHBondContact O-N 3.49Å
120N96.1Very high96.1Very high21 Ų2142.2 Ų42.211%0.11219%0.191CC..Hα-helixtrans-68.9-40.8176.3-84.849.4000110.8I79 I80 W83 N116 P117 K118 E122 K123 M124I79-N120 WeakPolarHBondContact CG2-ND2 3.33Å; I80-N120 PolarHBondContact O-ND2 3.13Å; I80-N120 VanDerWaalsContact O-ND2 3.07Å; W83-N120 HydrophobicContact CH2-CB 4.27Å; W83-N120 VanDerWaalsContact CH2-O 3.31Å; W83-N120 WeakPolarHBondContact CH2-O 3.46Å; W83-N120 HydrophobicContact CZ2-CB 4.09Å; N116-N120 WeakPolarHBondContact OD1-CB 3.36Å; P117-N120 HydrophobicContact CB-CB 4.4Å; P117-N120 WeakPolarHBondContact O-CA 3.34Å; P117-N120 WeakPolarHBondContact O-CB 3.47Å; P117-N120 PolarHBondContact O-N 2.85Å; K118-N120 VanDerWaalsContact C-N 3.27Å; K118-N120 PolarHBondContact O-N 3.32Å; N120-E122 VanDerWaalsContact C-N 3.35Å; N120-K123 PolarHBondContact O-N 2.85Å; N120-M124 WeakPolarHBondContact O-CG 3.33Å; N120-M124 PolarHBondContact O-N 3.49Å
121R95.6Very high96Very high22 Ų2245.8 Ų45.88%0.08321%0.214CC..Hα-helixtrans-60.9-44.5174.1-167.8179.8-60.21405.9112.3E112 P117 K118 M124 A125 I139E112-R121 VanDerWaalsContact CD-NE 3.32Å; E112-R121 VanDerWaalsContact CD-NH2 3.3Å; E112-R121 IonicContact OE1-CZ 2.88Å; E112-R121 IonicContact OE1-NE 2.91Å; E112-R121 PolarHBondContact OE1-NE 2.75Å; E112-R121 IonicContact OE1-NH2 3.29Å; E112-R121 PolarHBondContact OE1-NH2 3.49Å; E112-R121 IonicContact OE2-CZ 3.82Å; E112-R121 IonicContact OE2-NE 2.75Å; E112-R121 PolarHBondContact OE2-NE 3.29Å; E112-R121 IonicContact OE2-NH2 3.23Å; E112-R121 PolarHBondContact OE2-NH2 3.21Å; P117-R121 PolarHBondContact O-N 2.93Å; P117-R121 VanDerWaalsContact O-N 3.15Å; K118-R121 WeakPolarHBondContact O-CA 3.29Å; K118-R121 WeakPolarHBondContact O-CB 3.15Å; K118-R121 PolarHBondContact O-N 2.9Å; R121-M124 HydrophobicContact CB-CE 4.41Å; R121-M124 HydrophobicContact CG-CE 4.46Å; R121-M124 PolarHBondContact O-N 3.44Å; R121-A125 PolarHBondContact O-N 3.34Å; R121-A125 VanDerWaalsContact O-N 3.1Å; R121-I139 HydrophobicContact CG-CD1 3.5Å; R121-I139 HydrophobicContact CG-CG2 4.5Å
122E97.1Very high96Very high61 Ų6146.6 Ų46.629%0.28522%0.217SC..Hα-helixtrans-60.5-46.4175.8-64.9172.6164.400111.2K118 R119 N120 M124 A125 E126 A367 L370 H371K118-E122 WeakPolarHBondContact O-CG 3.32Å; K118-E122 PolarHBondContact O-N 2.97Å; R119-E122 PolarHBondContact O-N 3.24Å; N120-E122 VanDerWaalsContact C-N 3.35Å; E122-M124 PolarHBondContact O-N 2.84Å; E122-A125 PolarHBondContact O-N 3.33Å; E122-A125 VanDerWaalsContact O-N 3.17Å; E122-E126 WeakPolarHBondContact O-CB 3.35Å; E122-E126 PolarHBondContact O-N 3.2Å; E122-A367 HydrophobicContact CB-CB 4.2Å; E122-A367 HydrophobicContact CG-CB 3.72Å; E122-L370 HydrophobicContact CG-CD1 4.37Å; E122-H371 IonicContact OE1-CD2 2.77Å; E122-H371 IonicContact OE1-CE1 3.25Å; E122-H371 PolarHBondContact OE1-CE1 3.35Å; E122-H371 IonicContact OE1-NE2 3.47Å; E122-H371 PolarHBondContact OE1-NE2 3.19Å
123K97.7Very high96.1Very high63 Ų6347 Ų4727%0.27422%0.222SC..Hα-helixtrans-67.1-33.6179.7-172.757.7175.7177.90113.2W83 R119 N120 E126 I127W83-K123 HydrophobicContact CD2-CB 4.47Å; W83-K123 HydrophobicContact CD2-CG 3.6Å; W83-K123 HydrophobicContact CE3-CB 4.4Å; W83-K123 HydrophobicContact CE3-CG 3.65Å; W83-K123 HydrophobicContact CG-CG 4.29Å; W83-K123 HydrophobicContact CH2-CB 3.64Å; W83-K123 HydrophobicContact CH2-CG 3.8Å; W83-K123 HydrophobicContact CZ2-CB 3.72Å; W83-K123 HydrophobicContact CZ2-CG 3.77Å; W83-K123 HydrophobicContact CZ3-CB 3.98Å; W83-K123 HydrophobicContact CZ3-CG 3.72Å; R119-K123 WeakPolarHBondContact O-CB 3.38Å; R119-K123 PolarHBondContact O-N 3.49Å; N120-K123 PolarHBondContact O-N 2.85Å; K123-E126 HydrophobicContact CD-CB 4.42Å; K123-E126 WeakPolarHBondContact CD-OE2 3.37Å; K123-E126 IonicContact NZ-OE1 3.5Å; K123-E126 PolarHBondContact NZ-OE1 2.83Å; K123-E126 IonicContact NZ-OE2 2.77Å; K123-E126 PolarHBondContact NZ-OE2 3.18Å; K123-I127 HydrophobicContact CD-CD1 4.31Å; K123-I127 HydrophobicContact CD-CG1 4.39Å; K123-I127 HydrophobicContact CG-CD1 4.13Å; K123-I127 WeakPolarHBondContact O-CG1 3.37Å; K123-I127 PolarHBondContact O-N 2.97Å; K123-I127 VanDerWaalsContact O-N 3.09Å
124M97.2Very high96.2Very high5 Ų546.8 Ų46.83%0.02522%0.22CC..Hα-helixtrans-60.4-50.1169.9-72.5-171.4-64.400110.5I16 I80 W83 W90 L110 E112 N116 N120 R121 E122 E126 I127 F128 I139I16-M124 HydrophobicContact CD1-SD 4.14Å; I80-M124 HydrophobicContact CD1-CG 3.96Å; I80-M124 HydrophobicContact CD1-SD 3.96Å; W83-M124 HydrophobicContact CH2-CG 3.87Å; W83-M124 HydrophobicContact CZ3-CG 3.82Å; W90-M124 HydrophobicContact CH2-CG 4Å; W90-M124 HydrophobicContact CZ2-CG 4.45Å; L110-M124 HydrophobicContact CD1-CB 4.42Å; E112-M124 HydrophobicContact CB-CE 4.49Å; N116-M124 WeakPolarHBondContact ND2-CE 3.46Å; N120-M124 WeakPolarHBondContact O-CG 3.33Å; N120-M124 PolarHBondContact O-N 3.49Å; R121-M124 HydrophobicContact CB-CE 4.41Å; R121-M124 HydrophobicContact CG-CE 4.46Å; R121-M124 PolarHBondContact O-N 3.44Å; E122-M124 PolarHBondContact O-N 2.84Å; M124-E126 PolarHBondContact O-N 2.86Å; M124-I127 PolarHBondContact O-N 3.05Å; M124-F128 WeakPolarHBondContact O-CD2 3.37Å; M124-F128 PolarHBondContact O-N 3.21Å; M124-I139 HydrophobicContact CE-CD1 4.18Å; M124-I139 HydrophobicContact CE-CG2 4.38Å
125A97.3Very high96.3Very high0 Ų048.8 Ų48.80%023%0.233CC..Hα-helixtrans-61.8-43.3179.600000112.3R121 E122 I127 F128 F129 L137 Y362 L370R121-A125 PolarHBondContact O-N 3.34Å; R121-A125 VanDerWaalsContact O-N 3.1Å; E122-A125 PolarHBondContact O-N 3.33Å; E122-A125 VanDerWaalsContact O-N 3.17Å; A125-I127 PolarHBondContact O-N 3.28Å; A125-F128 PolarHBondContact O-N 3.49Å; A125-F129 HydrophobicContact CB-CD2 4.28Å; A125-F129 HydrophobicContact CB-CE2 4.45Å; A125-F129 WeakPolarHBondContact O-CB 3.49Å; A125-F129 VanDerWaalsContact O-CD2 3.28Å; A125-F129 WeakPolarHBondContact O-CD2 3.35Å; A125-F129 PolarHBondContact O-N 2.93Å; A125-L137 HydrophobicContact CB-CD2 4.33Å; A125-Y362 HydrophobicContact CB-CE2 4.24Å; A125-L370 HydrophobicContact CB-CD1 3.49Å; A125-L370 VanDerWaalsContact CB-CD1 3.49Å; A125-L370 HydrophobicContact CB-CD2 3.83Å; A125-L370 HydrophobicContact CB-CG 4.22Å
126E97.4Very high96.5Very high64 Ų6443.3 Ų43.330%0.29921%0.208SC..Hα-helixtrans-52.8-54.3174.8-171.6-164.1137.500110.9E122 K123 M124 F128 F129 E130 Y362E122-E126 WeakPolarHBondContact O-CB 3.35Å; E122-E126 PolarHBondContact O-N 3.2Å; K123-E126 HydrophobicContact CD-CB 4.42Å; K123-E126 WeakPolarHBondContact CD-OE2 3.37Å; K123-E126 IonicContact NZ-OE1 3.5Å; K123-E126 PolarHBondContact NZ-OE1 2.83Å; K123-E126 IonicContact NZ-OE2 2.77Å; K123-E126 PolarHBondContact NZ-OE2 3.18Å; M124-E126 PolarHBondContact O-N 2.86Å; E126-F128 PolarHBondContact O-N 3.01Å; E126-F129 PolarHBondContact O-N 3.36Å; E126-E130 HydrophobicContact CG-CG 4.48Å; E126-E130 WeakPolarHBondContact CG-OE1 3.09Å; E126-E130 WeakPolarHBondContact O-CB 3.49Å; E126-E130 WeakPolarHBondContact O-CG 3.28Å; E126-E130 PolarHBondContact O-N 2.83Å; E126-Y362 WeakPolarHBondContact CA-OH 3.12Å
127I98.1Very high96.6Very high3 Ų342.7 Ų42.72%0.01521%0.205CC..Iπ-helixtrans-62.1-43.2-179-68.2166.2000111.4W83 E87 W90 K123 M124 A125 T131 F132W83-I127 HydrophobicContact CD2-CD1 4.35Å; W83-I127 HydrophobicContact CE3-CD1 3.46Å; W83-I127 VanDerWaalsContact CE3-CD1 3.46Å; W83-I127 HydrophobicContact CZ3-CD1 4.03Å; E87-I127 HydrophobicContact CG-CG2 4.12Å; W90-I127 HydrophobicContact CE3-CG2 3.86Å; W90-I127 HydrophobicContact CZ3-CB 4.2Å; W90-I127 HydrophobicContact CZ3-CD1 3.88Å; W90-I127 HydrophobicContact CZ3-CG2 3.83Å; K123-I127 HydrophobicContact CD-CD1 4.31Å; K123-I127 HydrophobicContact CD-CG1 4.39Å; K123-I127 HydrophobicContact CG-CD1 4.13Å; K123-I127 WeakPolarHBondContact O-CG1 3.37Å; K123-I127 PolarHBondContact O-N 2.97Å; K123-I127 VanDerWaalsContact O-N 3.09Å; M124-I127 PolarHBondContact O-N 3.05Å; A125-I127 PolarHBondContact O-N 3.28Å; I127-T131 WeakPolarHBondContact O-CA 3.41Å; I127-T131 WeakPolarHBondContact O-CB 3.43Å; I127-T131 PolarHBondContact O-N 2.8Å; I127-F132 HydrophobicContact CG2-CD2 3.82Å; I127-F132 HydrophobicContact CG2-CE2 3.63Å; I127-F132 PolarHBondContact O-N 3.45Å
128F98Very high96.7Very high0 Ų041.5 Ų41.50%019%0.193CC..Iπ-helixtrans-70.5-37.8-178.3-85.8-87.1000113.1I14 W90 Y94 V108 L110 M124 A125 E126 F132 S133 V134 L137I14-F128 HydrophobicContact CD1-CE1 3.99Å; I14-F128 HydrophobicContact CD1-CZ 4.01Å; W90-F128 HydrophobicContact CB-CZ 4.28Å; W90-F128 AromaticContact CD1-CZ 3.93Å; W90-F128 AromaticContact CD2-CE2 3.55Å; W90-F128 HydrophobicContact CD2-CE2 3.55Å; W90-F128 AromaticContact CD2-CZ 3.7Å; W90-F128 HydrophobicContact CD2-CZ 3.7Å; W90-F128 AromaticContact CE2-CE2 3.62Å; W90-F128 AromaticContact CE2-CZ 3.91Å; W90-F128 HydrophobicContact CE3-CD2 4.38Å; W90-F128 AromaticContact CE3-CE2 3.67Å; W90-F128 HydrophobicContact CE3-CE2 3.67Å; W90-F128 HydrophobicContact CE3-CZ 4.18Å; W90-F128 HydrophobicContact CG-CE2 4.11Å; W90-F128 AromaticContact CG-CZ 3.74Å; W90-F128 HydrophobicContact CG-CZ 3.74Å; W90-F128 HydrophobicContact CH2-CE2 4.01Å; W90-F128 AromaticContact CZ2-CE2 3.88Å; W90-F128 HydrophobicContact CZ2-CE2 3.88Å; W90-F128 HydrophobicContact CZ3-CD2 4.39Å; W90-F128 AromaticContact CZ3-CE2 3.9Å; W90-F128 HydrophobicContact CZ3-CE2 3.9Å; W90-F128 AromaticContact NE1-CZ 4Å; Y94-F128 HydrophobicContact CE2-CE1 4.14Å; V108-F128 HydrophobicContact CB-CD1 4.45Å; V108-F128 HydrophobicContact CG1-CB 4.48Å; V108-F128 HydrophobicContact CG1-CD1 3.7Å; V108-F128 HydrophobicContact CG1-CE1 4.21Å; V108-F128 HydrophobicContact CG1-CG 4.24Å; V108-F128 HydrophobicContact CG2-CD1 4.33Å; V108-F128 HydrophobicContact CG2-CE1 3.98Å; L110-F128 HydrophobicContact CD1-CD2 3.5Å; L110-F128 VanDerWaalsContact CD1-CD2 3.5Å; L110-F128 HydrophobicContact CD1-CE2 3.48Å; L110-F128 VanDerWaalsContact CD1-CE2 3.48Å; L110-F128 HydrophobicContact CD1-CG 4.11Å; L110-F128 HydrophobicContact CD1-CZ 4.08Å; L110-F128 HydrophobicContact CD2-CD2 4.42Å; L110-F128 HydrophobicContact CD2-CE1 3.94Å; L110-F128 HydrophobicContact CD2-CE2 3.78Å; L110-F128 HydrophobicContact CD2-CZ 3.5Å; L110-F128 HydrophobicContact CG-CE2 4.28Å; L110-F128 HydrophobicContact CG-CZ 4.43Å; M124-F128 WeakPolarHBondContact O-CD2 3.37Å; M124-F128 PolarHBondContact O-N 3.21Å; A125-F128 PolarHBondContact O-N 3.49Å; E126-F128 PolarHBondContact O-N 3.01Å; F128-F132 HydrophobicContact CD1-CB 4.39Å; F128-F132 HydrophobicContact CD1-CD2 4.14Å; F128-F132 HydrophobicContact CE1-CD2 4.38Å; F128-F132 HydrophobicContact CG-CD2 4.36Å; F128-F132 CarbonylContact O-C 3.58Å; F128-F132 WeakPolarHBondContact O-CB 3.5Å; F128-S133 PolarHBondContact O-N 3.22Å; F128-V134 HydrophobicContact CB-CG1 4.48Å; F128-V134 HydrophobicContact CB-CG2 4.04Å; F128-V134 HydrophobicContact CD1-CG1 3.97Å; F128-V134 WeakPolarHBondContact O-CG2 3.27Å; F128-V134 PolarHBondContact O-N 2.72Å; F128-L137 HydrophobicContact CB-CD1 3.5Å; F128-L137 VanDerWaalsContact CB-CD1 3.5Å; F128-L137 HydrophobicContact CD2-CD1 4.47Å; F128-L137 HydrophobicContact CG-CD1 4.07Å
129F97.6Very high96.8Very high1 Ų136 Ų360%0.00417%0.169CC..Iπ-helixtrans-80.4-37.4178-77-58.5000113.8A125 E126 S133 V134 L137 I357 K359 Y362A125-F129 HydrophobicContact CB-CD2 4.28Å; A125-F129 HydrophobicContact CB-CE2 4.45Å; A125-F129 WeakPolarHBondContact O-CB 3.49Å; A125-F129 VanDerWaalsContact O-CD2 3.28Å; A125-F129 WeakPolarHBondContact O-CD2 3.35Å; A125-F129 PolarHBondContact O-N 2.93Å; E126-F129 PolarHBondContact O-N 3.36Å; F129-S133 VanDerWaalsContact O-CA 3.27Å; F129-S133 WeakPolarHBondContact O-CA 3.38Å; F129-V134 HydrophobicContact CD1-CG2 3.93Å; F129-V134 WeakPolarHBondContact CD1-O 3.11Å; F129-V134 HydrophobicContact CE1-CG2 4.11Å; F129-L137 HydrophobicContact CE1-CB 4.13Å; F129-L137 HydrophobicContact CE2-CB 3.91Å; F129-L137 HydrophobicContact CE2-CD2 4.28Å; F129-L137 HydrophobicContact CZ-CB 3.57Å; F129-I357 HydrophobicContact CE2-CG2 4.15Å; F129-I357 HydrophobicContact CZ-CB 4.34Å; F129-I357 HydrophobicContact CZ-CG2 3.9Å; F129-I357 WeakPolarHBondContact CZ-O 3.43Å; F129-K359 HydrophobicContact CD1-CB 3.99Å; F129-K359 HydrophobicContact CD1-CG 4.07Å; F129-K359 HydrophobicContact CE1-CB 4.09Å; F129-K359 WeakPolarHBondContact O-CE 3.46Å; F129-Y362 HydrophobicContact CB-CD1 3.69Å; F129-Y362 HydrophobicContact CB-CE1 3.82Å; F129-Y362 HydrophobicContact CB-CG 4.3Å; F129-Y362 AromaticContact CD2-CD1 3.64Å; F129-Y362 HydrophobicContact CD2-CD1 3.64Å; F129-Y362 AromaticContact CD2-CD2 3.5Å; F129-Y362 HydrophobicContact CD2-CD2 3.5Å; F129-Y362 VanDerWaalsContact CD2-CD2 3.5Å; F129-Y362 HydrophobicContact CD2-CE1 4.08Å; F129-Y362 AromaticContact CD2-CE2 3.95Å; F129-Y362 HydrophobicContact CD2-CE2 3.95Å; F129-Y362 AromaticContact CD2-CG 3.32Å; F129-Y362 HydrophobicContact CD2-CG 3.32Å; F129-Y362 HydrophobicContact CE2-CD1 4.4Å; F129-Y362 AromaticContact CE2-CD2 3.71Å; F129-Y362 HydrophobicContact CE2-CD2 3.71Å; F129-Y362 HydrophobicContact CE2-CE2 4.48Å; F129-Y362 AromaticContact CE2-CG 3.66Å; F129-Y362 HydrophobicContact CE2-CG 3.66Å; F129-Y362 AromaticContact CG-CD1 3.77Å; F129-Y362 HydrophobicContact CG-CD1 3.77Å; F129-Y362 HydrophobicContact CG-CD2 4.44Å; F129-Y362 HydrophobicContact CG-CE1 4.27Å; F129-Y362 AromaticContact CG-CG 3.86Å; F129-Y362 HydrophobicContact CG-CG 3.86Å; F129-Y362 HydrophobicContact CZ-CG 4.43Å
130E97.2Very high96.8Very high111 Ų11126.6 Ų26.652%0.51914%0.135SC..Iπ-helixtrans-93.2-46.4-172.7-60.4176.7-155.700111.6E126 Y362E126-E130 HydrophobicContact CG-CG 4.48Å; E126-E130 WeakPolarHBondContact CG-OE1 3.09Å; E126-E130 WeakPolarHBondContact O-CB 3.49Å; E126-E130 WeakPolarHBondContact O-CG 3.28Å; E126-E130 PolarHBondContact O-N 2.83Å; E130-Y362 HydrophobicContact CG-CE1 4.31Å; E130-Y362 PolarHBondContact OE1-OH 2.93Å; E130-Y362 VanDerWaalsContact OE1-OH 3.13Å
131T97.2Very high96.8Very high76 Ų7627.4 Ų27.447%0.46614%0.138SC..Iπ-helixtrans-83.8-53.4179.5-51.40000111.7E87 I127 S133E87-T131 WeakPolarHBondContact OE1-CG2 3.4Å; I127-T131 WeakPolarHBondContact O-CA 3.41Å; I127-T131 WeakPolarHBondContact O-CB 3.43Å; I127-T131 PolarHBondContact O-N 2.8Å; T131-S133 VanDerWaalsContact C-N 3.32Å
132F97.2Very high96.8Very high18 Ų1827.1 Ų27.18%0.07914%0.138CC..SBendtrans-84.4-8.4-178.5-67.3-70.2000113.7E87 W90 A91 Y94 S103 I127 F128 V134E87-F132 HydrophobicContact CG-CE2 4.18Å; E87-F132 HydrophobicContact CG-CZ 4.18Å; W90-F132 HydrophobicContact CB-CE2 3.7Å; W90-F132 HydrophobicContact CB-CZ 3.62Å; W90-F132 HydrophobicContact CE3-CE2 4.15Å; A91-F132 HydrophobicContact CB-CE1 3.93Å; A91-F132 HydrophobicContact CB-CZ 4.07Å; Y94-F132 HydrophobicContact CD2-CD1 4.14Å; Y94-F132 HydrophobicContact CD2-CE1 4.3Å; Y94-F132 HydrophobicContact CE2-CD1 4.34Å; S103-F132 WeakPolarHBondContact CB-O 3.38Å; S103-F132 PolarHBondContact OG-O 3.44Å; I127-F132 HydrophobicContact CG2-CD2 3.82Å; I127-F132 HydrophobicContact CG2-CE2 3.63Å; I127-F132 PolarHBondContact O-N 3.45Å; F128-F132 HydrophobicContact CD1-CB 4.39Å; F128-F132 HydrophobicContact CD1-CD2 4.14Å; F128-F132 HydrophobicContact CE1-CD2 4.38Å; F128-F132 HydrophobicContact CG-CD2 4.36Å; F128-F132 CarbonylContact O-C 3.58Å; F128-F132 WeakPolarHBondContact O-CB 3.5Å; F132-V134 HydrophobicContact CB-CG1 4.08Å; F132-V134 PolarHBondContact O-N 2.9Å; F132-V134 VanDerWaalsContact O-N 3.08Å
133S96.5Very high96.8Very high27 Ų2724.2 Ų24.219%0.18912%0.124CC..  trans51.932.9176.7-82.10000114.7F128 F129 T131 K359F128-S133 PolarHBondContact O-N 3.22Å; F129-S133 VanDerWaalsContact O-CA 3.27Å; F129-S133 WeakPolarHBondContact O-CA 3.38Å; T131-S133 VanDerWaalsContact C-N 3.32Å; S133-K359 VanDerWaalsContact CB-NZ 3.32Å; S133-K359 PolarHBondContact OG-NZ 3.12Å
134V96.9Very high96.7Very high0 Ų022 Ų220%012%0.116CC..  trans-60.2141.4-179.7-57.30000111.1V108 F128 F129 F132 A136 L137V108-V134 HydrophobicContact CB-CG1 4.43Å; V108-V134 HydrophobicContact CG1-CB 4.17Å; V108-V134 HydrophobicContact CG1-CG1 3.95Å; V108-V134 HydrophobicContact CG1-CG2 3.88Å; F128-V134 HydrophobicContact CB-CG1 4.48Å; F128-V134 HydrophobicContact CB-CG2 4.04Å; F128-V134 HydrophobicContact CD1-CG1 3.97Å; F128-V134 WeakPolarHBondContact O-CG2 3.27Å; F128-V134 PolarHBondContact O-N 2.72Å; F129-V134 HydrophobicContact CD1-CG2 3.93Å; F129-V134 WeakPolarHBondContact CD1-O 3.11Å; F129-V134 HydrophobicContact CE1-CG2 4.11Å; F132-V134 HydrophobicContact CB-CG1 4.08Å; F132-V134 PolarHBondContact O-N 2.9Å; F132-V134 VanDerWaalsContact O-N 3.08Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 2.97Å; V134-L137 HydrophobicContact CG2-CB 4.22Å
135P96Very high96.7Very high43 Ų4321.7 Ų21.728%0.27912%0.115SC..SBendtrans-72.1-29.3-176.628.1-34000112E104 H106 P107 K359E104-P135 WeakPolarHBondContact O-CD 3.24Å; H106-P135 WeakPolarHBondContact O-CD 3.23Å; P107-P135 HydrophobicContact CG-CG 4.48Å; P135-K359 PolarHBondContact O-N 2.65Å
136A96Very high96.7Very high0 Ų021.7 Ų21.70%012%0.115CC..EExtended strand (participates in β ladder)trans-155.8153.7175.900000112I7 P107 V108 V134 W356 I357I7-A136 HydrophobicContact CD1-CB 3.52Å; I7-A136 HydrophobicContact CG1-CB 4.34Å; P107-A136 CarbonylContact C-O 3.37Å; P107-A136 VanDerWaalsContact CA-O 3.25Å; P107-A136 WeakPolarHBondContact CA-O 3.41Å; P107-A136 HydrophobicContact CB-CB 4.18Å; V108-A136 PolarHBondContact N-O 3.37Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 2.97Å; A136-W356 HydrophobicContact CB-CB 4.11Å; A136-W356 HydrophobicContact CB-CD2 4.48Å; A136-W356 HydrophobicContact CB-CE3 4.15Å; A136-W356 HydrophobicContact CB-CG 4.48Å; A136-I357 CarbonylContact C-O 3.6Å; A136-I357 WeakPolarHBondContact CA-O 3.44Å; A136-I357 WeakPolarHBondContact CB-O 3.47Å
137L96.1Very high96.7Very high0 Ų018.7 Ų18.70%010%0.1CC..EExtended strand (participates in β ladder)trans-139.5145.1-177172.3148.4000111.2V108 L110 A125 F128 F129 V134 I139 W356 I357 L370V108-L137 HydrophobicContact CG1-CB 4.11Å; V108-L137 HydrophobicContact CG1-CD1 3.99Å; V108-L137 HydrophobicContact CG1-CG 4.16Å; V108-L137 WeakPolarHBondContact O-CA 3.39Å; L110-L137 HydrophobicContact CD1-CD1 3.81Å; A125-L137 HydrophobicContact CB-CD2 4.33Å; F128-L137 HydrophobicContact CB-CD1 3.5Å; F128-L137 VanDerWaalsContact CB-CD1 3.5Å; F128-L137 HydrophobicContact CD2-CD1 4.47Å; F128-L137 HydrophobicContact CG-CD1 4.07Å; F129-L137 HydrophobicContact CE1-CB 4.13Å; F129-L137 HydrophobicContact CE2-CB 3.91Å; F129-L137 HydrophobicContact CE2-CD2 4.28Å; F129-L137 HydrophobicContact CZ-CB 3.57Å; V134-L137 HydrophobicContact CG2-CB 4.22Å; L137-I139 HydrophobicContact CD2-CD1 3.93Å; L137-I139 HydrophobicContact CD2-CG1 3.71Å; L137-I139 HydrophobicContact CG-CG1 4.44Å; L137-W356 VanDerWaalsContact C-CE3 3.5Å; L137-I357 PolarHBondContact N-O 3.04Å; L137-I357 WeakPolarHBondContact O-CB 3.38Å; L137-I357 PolarHBondContact O-N 3Å; L137-L370 HydrophobicContact CD2-CD2 4.13Å
138Y96.1Very high96.5Very high31 Ų3121.5 Ų21.512%0.12211%0.111CC..EExtended strand (participates in β ladder)trans-138.3142.1168.6-173.3-97.7000109.6V108 L109 L110 L346 F352 M355 L374V108-Y138 PolarHBondContact O-N 3.01Å; L109-Y138 CarbonylContact C-O 3.57Å; L109-Y138 WeakPolarHBondContact CA-O 3.32Å; L109-Y138 HydrophobicContact CD1-CD1 4.12Å; L109-Y138 HydrophobicContact CG-CD1 4.25Å; L110-Y138 PolarHBondContact N-O 3.08Å; Y138-L346 HydrophobicContact CE1-CD2 4.29Å; Y138-F352 HydrophobicContact CD1-CE1 4.44Å; Y138-F352 HydrophobicContact CD1-CE2 4.14Å; Y138-F352 AromaticContact CD1-CZ 3.44Å; Y138-F352 HydrophobicContact CD1-CZ 3.44Å; Y138-F352 VanDerWaalsContact CD1-CZ 3.44Å; Y138-F352 HydrophobicContact CD2-CE2 4.36Å; Y138-F352 AromaticContact CD2-CZ 3.91Å; Y138-F352 HydrophobicContact CD2-CZ 3.91Å; Y138-F352 AromaticContact CE1-CE2 3.87Å; Y138-F352 HydrophobicContact CE1-CE2 3.87Å; Y138-F352 AromaticContact CE1-CZ 3.65Å; Y138-F352 HydrophobicContact CE1-CZ 3.65Å; Y138-F352 HydrophobicContact CE2-CE2 4.17Å; Y138-F352 HydrophobicContact CE2-CZ 4.16Å; Y138-F352 HydrophobicContact CG-CE1 4.35Å; Y138-F352 HydrophobicContact CG-CE2 4.34Å; Y138-F352 AromaticContact CG-CZ 3.53Å; Y138-F352 HydrophobicContact CG-CZ 3.53Å; Y138-F352 AromaticContact CZ-CE2 3.9Å; Y138-M355 HydrophobicContact CD2-CB 4.32Å; Y138-M355 HydrophobicContact CE2-CB 4.09Å; Y138-M355 HydrophobicContact CE2-CE 4.41Å; Y138-L374 HydrophobicContact CD2-CD2 3.78Å; Y138-L374 HydrophobicContact CE2-CD2 3.42Å; Y138-L374 VanDerWaalsContact CE2-CD2 3.42Å
139I96.6Very high96.3Very high4 Ų422.8 Ų22.82%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-120.2123.3178.3-57173.3000107.7L110 E112 R121 M124 L137 L370 L374L110-I139 HydrophobicContact CB-CG1 4.25Å; L110-I139 HydrophobicContact CD1-CG1 4.44Å; L110-I139 CarbonylContact O-C 3.6Å; L110-I139 VanDerWaalsContact O-CA 3.32Å; L110-I139 WeakPolarHBondContact O-CA 3.48Å; E112-I139 HydrophobicContact CB-CG2 4.04Å; E112-I139 HydrophobicContact CG-CG2 3.69Å; R121-I139 HydrophobicContact CG-CD1 3.5Å; R121-I139 HydrophobicContact CG-CG2 4.5Å; M124-I139 HydrophobicContact CE-CD1 4.18Å; M124-I139 HydrophobicContact CE-CG2 4.38Å; L137-I139 HydrophobicContact CD2-CD1 3.93Å; L137-I139 HydrophobicContact CD2-CG1 3.71Å; L137-I139 HydrophobicContact CG-CG1 4.44Å; I139-L370 HydrophobicContact CD1-CD2 4.41Å; I139-L374 HydrophobicContact CB-CD1 4.01Å; I139-L374 WeakPolarHBondContact O-CD2 3.17Å
140S95Very high96.1Very high8 Ų824.4 Ų24.46%0.05613%0.131CC..EExtended strand (participates in β ladder)trans-121.9146.6-177.8-165.20000112.1L110 T111 E112 L145L110-S140 PolarHBondContact O-N 2.76Å; T111-S140 CarbonylContact C-O 3.58Å; T111-S140 VanDerWaalsContact CA-O 3.29Å; T111-S140 WeakPolarHBondContact CA-O 3.3Å; E112-S140 PolarHBondContact N-O 3.16Å; S140-L145 WeakPolarHBondContact OG-CD2 3.3Å
141M95.5Very high95.9Very high39 Ų3922.7 Ų22.719%0.19214%0.143CC..EExtended strand (participates in β ladder)trans-67.8133.6173.2-171.6-178.1-63.500110.8E112 P114 A143 V144 L145 V168 A175 I180E112-M141 WeakPolarHBondContact O-CA 3.38Å; P114-M141 HydrophobicContact CB-CE 4.35Å; P114-M141 HydrophobicContact CB-SD 4.19Å; P114-M141 HydrophobicContact CG-CG 4.05Å; P114-M141 HydrophobicContact CG-SD 3.83Å; M141-A143 VanDerWaalsContact C-N 3.34Å; M141-A143 PolarHBondContact O-N 2.97Å; M141-V144 HydrophobicContact CB-CB 4.5Å; M141-V144 HydrophobicContact CB-CG2 4.11Å; M141-V144 PolarHBondContact O-N 2.96Å; M141-V144 HydrophobicContact SD-CG2 4.46Å; M141-L145 PolarHBondContact O-N 3.17Å; M141-V168 HydrophobicContact SD-CG1 3.88Å; M141-V168 HydrophobicContact SD-CG2 4.06Å; M141-A175 HydrophobicContact CE-CB 4.47Å; M141-A175 HydrophobicContact SD-CB 4.31Å; M141-I180 HydrophobicContact CE-CD1 3.86Å; M141-I180 HydrophobicContact SD-CD1 4.23Å
142Q96.7Very high95.8Very high15 Ų1522.8 Ų22.87%0.0714%0.135CC..Hα-helixtrans-55-46.9-177.3-71.6174.7-27.500112.7D15 I16 T111 E112 V144 L145 S146 T339D15-Q142 PolarHBondContact OD1-NE2 3.43Å; I16-Q142 PolarHBondContact O-NE2 3.38Å; T111-Q142 PolarHBondContact OG1-NE2 2.92Å; E112-Q142 WeakPolarHBondContact O-CG 3.39Å; E112-Q142 PolarHBondContact O-N 3.27Å; Q142-V144 VanDerWaalsContact C-N 3.35Å; Q142-V144 PolarHBondContact O-N 3.34Å; Q142-L145 PolarHBondContact O-N 2.9Å; Q142-S146 PolarHBondContact O-N 3.21Å; Q142-S146 PolarHBondContact O-OG 3.42Å; Q142-T339 HydrophobicContact CB-CG2 3.72Å; Q142-T339 HydrophobicContact CG-CG2 3.7Å
143A96.8Very high95.6Very high0 Ų025.7 Ų25.70%015%0.154CC..Hα-helixtrans-59.6-40.4179.600000113.7M141 L145 S146 L147 V157 V168M141-A143 VanDerWaalsContact C-N 3.34Å; M141-A143 PolarHBondContact O-N 2.97Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.21Å; A143-S146 PolarHBondContact O-N 2.69Å; A143-L147 PolarHBondContact O-N 3.47Å; A143-V157 HydrophobicContact CB-CB 4.03Å; A143-V157 HydrophobicContact CB-CG1 4.1Å; A143-V157 WeakPolarHBondContact O-CG2 3.33Å; A143-V168 HydrophobicContact CB-CB 3.59Å; A143-V168 HydrophobicContact CB-CG1 4.02Å; A143-V168 HydrophobicContact CB-CG2 3.68Å
144V96.2Very high95.6Very high16 Ų1625.5 Ų25.510%0.09715%0.152CC..Hα-helixtrans-63.1-44.3178.9176.40000110.5M141 Q142 L147 Y148 I170 A175M141-V144 HydrophobicContact CB-CB 4.5Å; M141-V144 HydrophobicContact CB-CG2 4.11Å; M141-V144 PolarHBondContact O-N 2.96Å; M141-V144 HydrophobicContact SD-CG2 4.46Å; Q142-V144 VanDerWaalsContact C-N 3.35Å; Q142-V144 PolarHBondContact O-N 3.34Å; V144-L147 PolarHBondContact O-N 3.12Å; V144-Y148 HydrophobicContact CG1-CD2 4.36Å; V144-Y148 HydrophobicContact CG1-CE2 3.81Å; V144-Y148 PolarHBondContact O-N 3.01Å; V144-Y148 VanDerWaalsContact O-N 3.15Å; V144-I170 HydrophobicContact CB-CD1 4.48Å; V144-I170 HydrophobicContact CG2-CD1 4.1Å; V144-I170 HydrophobicContact CG2-CG1 4.34Å; V144-A175 HydrophobicContact CG2-CB 4.04Å
145L96.7Very high95.7Very high0 Ų025.5 Ų25.50%015%0.152CC..Hα-helixtrans-63.9-44.3175.7-59.8-179.1000111.6L109 T111 S140 M141 Q142 A143 L147 Y148 S149 T339 G342 L346L109-L145 HydrophobicContact CD2-CD1 3.97Å; T111-L145 HydrophobicContact CG2-CD1 3.64Å; S140-L145 WeakPolarHBondContact OG-CD2 3.3Å; M141-L145 PolarHBondContact O-N 3.17Å; Q142-L145 PolarHBondContact O-N 2.9Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.21Å; L145-L147 PolarHBondContact O-N 2.94Å; L145-Y148 HydrophobicContact CD2-CD2 4.49Å; L145-Y148 WeakPolarHBondContact O-CB 3.38Å; L145-Y148 PolarHBondContact O-N 3.38Å; L145-S149 PolarHBondContact O-N 2.87Å; L145-T339 HydrophobicContact CB-CG2 4.38Å; L145-T339 WeakPolarHBondContact CB-O 3.5Å; L145-T339 HydrophobicContact CD1-CG2 4.28Å; L145-G342 VanDerWaalsContact O-CA 3.22Å; L145-G342 WeakPolarHBondContact O-CA 3.34Å; L145-L346 HydrophobicContact CD2-CB 4.3Å; L145-L346 HydrophobicContact CD2-CD2 3.61Å
146S97.1Very high95.8Very high0 Ų023.5 Ų23.50%014%0.138CC..Hα-helixtrans-58.3-36.5177.1-67.50000112.4Q142 A143 S149 S300 T339Q142-S146 PolarHBondContact O-N 3.21Å; Q142-S146 PolarHBondContact O-OG 3.42Å; A143-S146 PolarHBondContact O-N 2.69Å; S146-S149 PolarHBondContact O-N 3.16Å; S146-S149 PolarHBondContact O-OG 2.97Å; S146-S300 PolarHBondContact OG-OG 3.17Å; S146-T339 WeakPolarHBondContact OG-CA 3.35Å; S146-T339 PolarHBondContact OG-N 2.92Å; S146-T339 PolarHBondContact OG-OG1 3.25Å
147L96.6Very high95.9Very high0 Ų023.5 Ų23.50%014%0.138CC..Hα-helixtrans-64.7-45.7173.4-169.667.7000111.8A143 V144 L145 S149 T150 R152 V157 I170 V298A143-L147 PolarHBondContact O-N 3.47Å; V144-L147 PolarHBondContact O-N 3.12Å; L145-L147 PolarHBondContact O-N 2.94Å; L147-S149 VanDerWaalsContact C-N 3.25Å; L147-S149 PolarHBondContact O-N 3.16Å; L147-T150 PolarHBondContact O-N 3.01Å; L147-T150 PolarHBondContact O-OG1 2.86Å; L147-R152 HydrophobicContact CD1-CB 3.83Å; L147-R152 HydrophobicContact CG-CB 4.02Å; L147-R152 WeakPolarHBondContact CG-O 3.37Å; L147-V157 HydrophobicContact CB-CG2 3.76Å; L147-V157 HydrophobicContact CD1-CG2 4.07Å; L147-V157 HydrophobicContact CG-CG2 4.45Å; L147-I170 HydrophobicContact CB-CD1 3.85Å; L147-I170 HydrophobicContact CD2-CB 3.71Å; L147-I170 HydrophobicContact CD2-CD1 3.7Å; L147-I170 HydrophobicContact CD2-CG1 4.31Å; L147-I170 HydrophobicContact CD2-CG2 3.67Å; L147-I170 HydrophobicContact CG-CD1 4.37Å; L147-V298 HydrophobicContact CD1-CG2 3.86Å
148Y93.5Very high96Very high62 Ų6223.5 Ų23.524%0.24314%0.138CC..Hα-helixtrans-59.9-33.3177.7-69.3-24.1000113.3V144 L145 T150 G151 T153 L346V144-Y148 HydrophobicContact CG1-CD2 4.36Å; V144-Y148 HydrophobicContact CG1-CE2 3.81Å; V144-Y148 PolarHBondContact O-N 3.01Å; V144-Y148 VanDerWaalsContact O-N 3.15Å; L145-Y148 HydrophobicContact CD2-CD2 4.49Å; L145-Y148 WeakPolarHBondContact O-CB 3.38Å; L145-Y148 PolarHBondContact O-N 3.38Å; Y148-T150 PolarHBondContact O-N 2.92Å; Y148-T150 VanDerWaalsContact O-N 3.09Å; Y148-G151 PolarHBondContact O-N 3.18Å; Y148-T153 HydrophobicContact CE1-CG2 4.43Å; Y148-L346 HydrophobicContact CD2-CD1 4.37Å; Y148-L346 HydrophobicContact CE2-CD1 4.02Å; Y148-L346 HydrophobicContact CE2-CD2 4.32Å
149S94.7Very high96.1Very high28 Ų2822.3 Ų22.320%0.19613%0.134CC..THydrogen-bonded Turntrans-59.4-21.9174.278.70000113.6L145 S146 L147 S338L145-S149 PolarHBondContact O-N 2.87Å; S146-S149 PolarHBondContact O-N 3.16Å; S146-S149 PolarHBondContact O-OG 2.97Å; L147-S149 VanDerWaalsContact C-N 3.25Å; L147-S149 PolarHBondContact O-N 3.16Å; S149-S338 VanDerWaalsContact CB-O 3.28Å; S149-S338 WeakPolarHBondContact CB-O 3.48Å; S149-S338 WeakPolarHBondContact OG-CB 3.46Å; S149-S338 PolarHBondContact OG-OG 3.48Å
150T94.4Very high96.2Very high35 Ų3522.1 Ų22.122%0.21513%0.133CC..THydrogen-bonded Turntrans-94.63.8177.3710000113.8L147 Y148 R152 V298 P332L147-T150 PolarHBondContact O-N 3.01Å; L147-T150 PolarHBondContact O-OG1 2.86Å; Y148-T150 PolarHBondContact O-N 2.92Å; Y148-T150 VanDerWaalsContact O-N 3.09Å; T150-R152 VanDerWaalsContact C-N 3.29Å; T150-R152 PolarHBondContact O-N 2.9Å; T150-V298 HydrophobicContact CG2-CG1 3.74Å; T150-V298 HydrophobicContact CG2-CG2 4.39Å; T150-P332 HydrophobicContact CG2-CG 3.99Å
151G92.5Very high96.3Very high75 Ų7522.4 Ų22.477%0.77314%0.138SC*.THydrogen-bonded Turntrans69.823.5-177.200000113.9Y148Y148-G151 PolarHBondContact O-N 3.18Å
152R94.3Very high96.4Very high78 Ų7821.8 Ų21.829%0.29414%0.135SC..  trans-113.6148.3-178.9-62.2177.1-174.5175.9-1.2110.6L147 T150L147-R152 HydrophobicContact CD1-CB 3.83Å; L147-R152 HydrophobicContact CG-CB 4.02Å; L147-R152 WeakPolarHBondContact CG-O 3.37Å; T150-R152 VanDerWaalsContact C-N 3.29Å; T150-R152 PolarHBondContact O-N 2.9Å
153T93.5Very high96.4Very high78 Ų7821.1 Ų21.148%0.47913%0.132SC..SBendtrans-109.7-14.7171.553.80000112.4Y148 I170 E172 G173Y148-T153 HydrophobicContact CE1-CG2 4.43Å; T153-I170 WeakPolarHBondContact O-CG2 3.39Å; T153-E172 PolarHBondContact O-N 3.19Å; T153-G173 PolarHBondContact O-N 3.33Å
154T96.7Very high96.4Very high24 Ų2421.3 Ų21.315%0.14713%0.133CC..SBendtrans-130.4138.2178.8-57.10000110.6I170 Y171 E172 M292T154-I170 WeakPolarHBondContact CA-O 3.45Å; T154-I170 WeakPolarHBondContact CG2-O 3.3Å; T154-Y171 HydrophobicContact CG2-CD2 3.7Å; T154-Y171 HydrophobicContact CG2-CE2 4.34Å; T154-E172 PolarHBondContact OG1-N 3.32Å; T154-M292 HydrophobicContact CG2-CG 4.5Å; T154-M292 HydrophobicContact CG2-SD 3.24Å; T154-M292 WeakPolarHBondContact CG2-SD 3.33Å
155G98Very high96.5Very high0 Ų020.6 Ų20.60%013%0.129CC..EExtended strand (participates in β ladder)trans157-178.7-179.300000111.6I170 N296G155-I170 PolarHBondContact N-O 3.39Å; G155-I170 PolarHBondContact O-N 2.74Å; G155-I170 VanDerWaalsContact O-O 3.07Å; G155-N296 WeakPolarHBondContact CA-O 3.39Å
156V98.6Very high96.6Very high0 Ų020.6 Ų20.60%013%0.129CC..EExtended strand (participates in β ladder)trans-116.6126171.459.30000109.1V168 P169 L278 I282 L293 N296 I297 V298V156-V168 WeakPolarHBondContact CA-O 3.45Å; V156-P169 HydrophobicContact CG2-CG 4.26Å; V156-L278 HydrophobicContact CB-CD1 4.36Å; V156-L278 HydrophobicContact CG1-CD1 3.84Å; V156-L278 HydrophobicContact CG2-CD1 3.54Å; V156-I282 HydrophobicContact CG1-CD1 4.05Å; V156-I282 HydrophobicContact CG1-CG1 4.14Å; V156-I282 HydrophobicContact CG2-CG1 4.42Å; V156-L293 HydrophobicContact CB-CB 4.48Å; V156-L293 HydrophobicContact CB-CD2 4.22Å; V156-L293 HydrophobicContact CG1-CB 4.28Å; V156-L293 WeakPolarHBondContact CG1-O 3.47Å; V156-N296 PolarHBondContact N-O 3.28Å; V156-I297 HydrophobicContact CG1-CB 4.24Å; V156-I297 HydrophobicContact CG1-CG1 3.73Å; V156-I297 HydrophobicContact CG1-CG2 4.49Å; V156-I297 CarbonylContact O-C 3.17Å; V156-I297 WeakPolarHBondContact O-CA 3.33Å; V156-V298 PolarHBondContact O-N 3.12Å
157V98.5Very high96.7Very high0 Ų020.6 Ų20.60%013%0.129CC..EExtended strand (participates in β ladder)trans-96.1123175.5177.70000108.6A143 L147 D159 A167 V168 I170 V298A143-V157 HydrophobicContact CB-CB 4.03Å; A143-V157 HydrophobicContact CB-CG1 4.1Å; A143-V157 WeakPolarHBondContact O-CG2 3.33Å; L147-V157 HydrophobicContact CB-CG2 3.76Å; L147-V157 HydrophobicContact CD1-CG2 4.07Å; L147-V157 HydrophobicContact CG-CG2 4.45Å; V157-D159 HydrophobicContact CG1-CB 4.4Å; V157-A167 CarbonylContact O-C 3.6Å; V157-A167 VanDerWaalsContact O-CA 3.3Å; V157-A167 WeakPolarHBondContact O-CA 3.31Å; V157-V168 PolarHBondContact N-O 2.84Å; V157-V168 PolarHBondContact O-N 3.25Å; V157-I170 HydrophobicContact CG2-CD1 4.03Å; V157-V298 WeakPolarHBondContact CA-O 3.49Å; V157-V298 HydrophobicContact CG2-CB 4.19Å
158L98.7Very high96.7Very high0 Ų020.6 Ų20.60%013%0.129CC..EExtended strand (participates in β ladder)trans-98.9100.5165.4178.463.4000108.1T165 A167 I274 L278 V298 L299 S300 F309 L313L158-T165 HydrophobicContact CD1-CG2 4.32Å; L158-A167 HydrophobicContact CD1-CB 4.26Å; L158-I274 HydrophobicContact CD1-CD1 4.13Å; L158-I274 HydrophobicContact CD1-CG1 3.74Å; L158-I274 HydrophobicContact CD2-CD1 4.12Å; L158-I274 HydrophobicContact CD2-CG1 3.88Å; L158-I274 HydrophobicContact CG-CD1 4.28Å; L158-I274 HydrophobicContact CG-CG1 4.22Å; L158-L278 HydrophobicContact CB-CD1 4.44Å; L158-L278 HydrophobicContact CB-CD2 4.32Å; L158-L278 HydrophobicContact CD1-CB 4.34Å; L158-L278 HydrophobicContact CD2-CB 4.43Å; L158-L278 HydrophobicContact CD2-CD2 3.91Å; L158-V298 PolarHBondContact N-O 2.75Å; L158-L299 HydrophobicContact CB-CD2 4Å; L158-L299 HydrophobicContact CD2-CD2 3.94Å; L158-L299 HydrophobicContact CG-CD2 4.35Å; L158-S300 PolarHBondContact O-N 3.4Å; L158-F309 HydrophobicContact CD2-CE1 4.48Å; L158-F309 HydrophobicContact CD2-CZ 4.31Å; L158-L313 HydrophobicContact CD2-CD1 4.15Å; L158-L313 HydrophobicContact CD2-CD2 3.56Å
159D98.1Very high97Very high6 Ų617.7 Ų17.73%0.03212%0.118CC..EExtended strand (participates in β ladder)trans-97.7128.4173.8-166.8-69.4000109.9V157 G161 T165 H166 S300V157-D159 HydrophobicContact CG1-CB 4.4Å; D159-G161 PolarHBondContact OD1-N 2.98Å; D159-T165 CarbonylContact O-C 3.56Å; D159-T165 VanDerWaalsContact O-CA 3.3Å; D159-T165 WeakPolarHBondContact O-CA 3.17Å; D159-H166 WeakPolarHBondContact CB-NE2 3.04Å; D159-H166 PolarHBondContact N-O 2.88Å; D159-H166 PolarHBondContact O-N 3.03Å; D159-S300 WeakPolarHBondContact CA-O 3.47Å; D159-S300 WeakPolarHBondContact OD2-CB 3.33Å; D159-S300 PolarHBondContact OD2-OG 2.99Å
160S98.2Very high97.1Very high0 Ų016.3 Ų16.30%011%0.108CC..EExtended strand (participates in β ladder)trans-129.4100.5170-169.10000109.9T165 S300 G301 G302 S303S160-T165 PolarHBondContact OG-OG1 2.92Å; S160-S300 PolarHBondContact N-O 3.19Å; S160-G301 CarbonylContact O-C 3.57Å; S160-G301 WeakPolarHBondContact O-CA 3.01Å; S160-G302 PolarHBondContact O-N 2.9Å; S160-S303 VanDerWaalsContact O-CB 3.29Å; S160-S303 WeakPolarHBondContact O-CB 3.41Å; S160-S303 PolarHBondContact O-N 3.23Å; S160-S303 WeakPolarHBondContact OG-CB 3.39Å
161G97.3Very high97.3Very high15 Ų1518.5 Ų18.516%0.15511%0.113CC..  trans-89.9-153.1-18000000113D159 V164 G187 S303D159-G161 PolarHBondContact OD1-N 2.98Å; G161-V164 PolarHBondContact N-O 3.33Å; G161-G187 PolarHBondContact O-N 3.47Å; G161-S303 PolarHBondContact O-OG 3.38Å
162D97.6Very high97.3Very high25 Ų2520.6 Ų20.613%0.13410%0.103CC..SBendtrans-84.9-35.2174.5-171.662.8000112.3G19 A186 G187 R188 K218G19-D162 WeakPolarHBondContact CA-OD2 3.29Å; D162-A186 WeakPolarHBondContact O-CB 3.41Å; D162-G187 PolarHBondContact O-N 2.88Å; D162-R188 WeakPolarHBondContact O-CB 3.39Å; D162-R188 PolarHBondContact O-N 3.47Å; D162-R188 PolarHBondContact OD1-N 3.35Å; D162-R188 IonicContact OD2-CZ 2.78Å; D162-R188 VanDerWaalsContact OD2-CZ 3.23Å; D162-R188 IonicContact OD2-NE 3.68Å; D162-R188 PolarHBondContact OD2-NE 3.35Å; D162-R188 IonicContact OD2-NH2 3.56Å; D162-R188 PolarHBondContact OD2-NH2 2.59Å; D162-K218 IonicContact OD1-NZ 2.6Å
163G96.7Very high97.2Very high1 Ų117.4 Ų17.41%0.019%0.094CC..SBendtrans-104.1-28.3-175.900000115.5H77 A186H77-G163 WeakPolarHBondContact CA-O 3.04Å; G163-A186 VanDerWaalsContact C-CB 3.47Å
164V97Very high97.2Very high4 Ų422.3 Ų22.32%0.02411%0.105CC..  trans-141.7151-173.9-65.90000111.2H77 A113 G161 A186H77-V164 HydrophobicContact CB-CG1 4.31Å; H77-V164 VanDerWaalsContact O-CG1 3.24Å; H77-V164 WeakPolarHBondContact O-CG1 3.5Å; A113-V164 HydrophobicContact CB-CG2 4.11Å; G161-V164 PolarHBondContact N-O 3.33Å; V164-A186 VanDerWaalsContact N-CB 3.33Å
165T98.1Very high97.1Very high2 Ų222.2 Ų22.21%0.01211%0.107CC..EExtended strand (participates in β ladder)trans-119.1131.6166.1-64.60000108L158 D159 S160 R182 T183 L185 I274L158-T165 HydrophobicContact CD1-CG2 4.32Å; D159-T165 CarbonylContact O-C 3.56Å; D159-T165 VanDerWaalsContact O-CA 3.3Å; D159-T165 WeakPolarHBondContact O-CA 3.17Å; S160-T165 PolarHBondContact OG-OG1 2.92Å; T165-R182 CarbonylContact O-C 3.31Å; T165-R182 WeakPolarHBondContact O-CA 3.2Å; T165-T183 PolarHBondContact N-O 2.94Å; T165-T183 PolarHBondContact O-N 3.15Å; T165-L185 WeakPolarHBondContact CB-O 3.39Å; T165-L185 PolarHBondContact OG1-O 3.46Å; T165-I274 HydrophobicContact CG2-CB 4.41Å; T165-I274 HydrophobicContact CG2-CD1 3.46Å; T165-I274 VanDerWaalsContact CG2-CD1 3.46Å; T165-I274 HydrophobicContact CG2-CG1 3.58Å
166H98.1Very high97Very high0 Ų023.3 Ų23.30%011%0.113CC..EExtended strand (participates in β ladder)trans-145.3146.6177.955.3-95.5000112.6P114 D159 E181 R182P114-H166 VanDerWaalsContact CD-CE1 3.49Å; P114-H166 WeakPolarHBondContact CD-CE1 3.37Å; P114-H166 HydrophobicContact CG-CB 4.07Å; P114-H166 VanDerWaalsContact CG-CD2 3.49Å; P114-H166 WeakPolarHBondContact CG-CD2 3.39Å; D159-H166 WeakPolarHBondContact CB-NE2 3.04Å; D159-H166 PolarHBondContact N-O 2.88Å; D159-H166 PolarHBondContact O-N 3.03Å; H166-E181 CarbonylContact C-O 3.59Å; H166-E181 WeakPolarHBondContact CA-O 3.37Å; H166-E181 WeakPolarHBondContact CB-O 3.45Å; H166-R182 HydrophobicContact CB-CB 4.19Å; H166-R182 HydrophobicContact CB-CG 4.47Å
167A98.6Very high96.9Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-113.1119.3170.500000108.7V157 L158 E181 V277 L278 A281V157-A167 CarbonylContact O-C 3.6Å; V157-A167 VanDerWaalsContact O-CA 3.3Å; V157-A167 WeakPolarHBondContact O-CA 3.31Å; L158-A167 HydrophobicContact CD1-CB 4.26Å; A167-E181 PolarHBondContact N-O 3.18Å; A167-E181 PolarHBondContact O-N 2.85Å; A167-V277 HydrophobicContact CB-CG1 4.01Å; A167-L278 HydrophobicContact CB-CB 4.4Å; A167-L278 HydrophobicContact CB-CD1 4.13Å; A167-A281 HydrophobicContact CB-CB 3.61Å
168V98.5Very high96.7Very high0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-123.4106.2-176177.50000108.8P114 M141 A143 V156 V157 I170 A175 I180P114-V168 HydrophobicContact CB-CG2 4.45Å; P114-V168 HydrophobicContact CG-CG2 3.68Å; M141-V168 HydrophobicContact SD-CG1 3.88Å; M141-V168 HydrophobicContact SD-CG2 4.06Å; A143-V168 HydrophobicContact CB-CB 3.59Å; A143-V168 HydrophobicContact CB-CG1 4.02Å; A143-V168 HydrophobicContact CB-CG2 3.68Å; V156-V168 WeakPolarHBondContact CA-O 3.45Å; V157-V168 PolarHBondContact N-O 2.84Å; V157-V168 PolarHBondContact O-N 3.25Å; V168-I170 HydrophobicContact CG1-CD1 4.35Å; V168-I170 HydrophobicContact CG1-CG1 3.9Å; V168-A175 HydrophobicContact CG1-CB 3.79Å; V168-I180 HydrophobicContact CG1-CD1 4.36Å; V168-I180 HydrophobicContact CG1-CG1 4.18Å; V168-I180 HydrophobicContact CG2-CG1 4.25Å; V168-I180 HydrophobicContact CG2-CG2 4.02Å
169P98.6Very high96.7Very high0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-68.9133.3167.7-2034.9000110.2V156 A175 L176 A179 A281 S285 L293V156-P169 HydrophobicContact CG2-CG 4.26Å; P169-A175 WeakPolarHBondContact O-CA 3.44Å; P169-L176 HydrophobicContact CB-CB 4.35Å; P169-L176 HydrophobicContact CB-CD1 4Å; P169-L176 HydrophobicContact CB-CG 4.32Å; P169-L176 PolarHBondContact O-N 2.62Å; P169-A179 WeakPolarHBondContact CD-O 3.39Å; P169-A179 HydrophobicContact CG-CB 3.92Å; P169-A281 HydrophobicContact CG-CB 4.06Å; P169-S285 WeakPolarHBondContact CB-OG 3.19Å; P169-S285 VanDerWaalsContact CG-OG 3.3Å; P169-S285 WeakPolarHBondContact CG-OG 3.44Å; P169-L293 HydrophobicContact CB-CD1 3.97Å; P169-L293 HydrophobicContact CB-CD2 4.36Å
170I98.2Very high96.7Very high0 Ų033.3 Ų33.30%017%0.168CC..EExtended strand (participates in β ladder)trans-130.9132.5-177.9-58.1159.4000107.5V144 L147 T153 T154 G155 V157 V168 Y174 A175V144-I170 HydrophobicContact CB-CD1 4.48Å; V144-I170 HydrophobicContact CG2-CD1 4.1Å; V144-I170 HydrophobicContact CG2-CG1 4.34Å; L147-I170 HydrophobicContact CB-CD1 3.85Å; L147-I170 HydrophobicContact CD2-CB 3.71Å; L147-I170 HydrophobicContact CD2-CD1 3.7Å; L147-I170 HydrophobicContact CD2-CG1 4.31Å; L147-I170 HydrophobicContact CD2-CG2 3.67Å; L147-I170 HydrophobicContact CG-CD1 4.37Å; T153-I170 WeakPolarHBondContact O-CG2 3.39Å; T154-I170 WeakPolarHBondContact CA-O 3.45Å; T154-I170 WeakPolarHBondContact CG2-O 3.3Å; G155-I170 PolarHBondContact N-O 3.39Å; G155-I170 PolarHBondContact O-N 2.74Å; G155-I170 VanDerWaalsContact O-O 3.07Å; V157-I170 HydrophobicContact CG2-CD1 4.03Å; V168-I170 HydrophobicContact CG1-CD1 4.35Å; V168-I170 HydrophobicContact CG1-CG1 3.9Å; I170-Y174 CarbonylContact C-O 3.5Å; I170-Y174 WeakPolarHBondContact CA-O 3.32Å; I170-A175 HydrophobicContact CG1-CB 4.39Å
171Y96.9Very high96.6Very high81 Ų8134.6 Ų34.632%0.31817%0.173SC..EExtended strand (participates in β ladder)trans-128.7123.1177.7-176.1-97.4000109.6T154 G173 Y174 L289 M292T154-Y171 HydrophobicContact CG2-CD2 3.7Å; T154-Y171 HydrophobicContact CG2-CE2 4.34Å; Y171-G173 PolarHBondContact O-N 2.73Å; Y171-G173 VanDerWaalsContact O-N 3.11Å; Y171-Y174 PolarHBondContact N-O 3.05Å; Y171-Y174 PolarHBondContact O-N 3.41Å; Y171-L289 HydrophobicContact CD2-CD1 4.03Å; Y171-L289 HydrophobicContact CD2-CD2 3.47Å; Y171-L289 VanDerWaalsContact CD2-CD2 3.47Å; Y171-L289 HydrophobicContact CD2-CG 4.39Å; Y171-L289 HydrophobicContact CE2-CD2 3.47Å; Y171-L289 VanDerWaalsContact CE2-CD2 3.47Å; Y171-L289 HydrophobicContact CG-CD1 4.18Å; Y171-L289 HydrophobicContact CG-CD2 4.34Å; Y171-M292 HydrophobicContact CE2-CE 4.5Å
172E94Very high96.6Very high118 Ų11836.1 Ų36.155%0.55118%0.175SC*.THydrogen-bonded Turntrans51.335.9179.6-66.6179.6-173.700113.9T153 T154 Y174T153-E172 PolarHBondContact O-N 3.19Å; T154-E172 PolarHBondContact OG1-N 3.32Å; E172-Y174 VanDerWaalsContact C-N 3.35Å; E172-Y174 VanDerWaalsContact O-CD2 3.31Å; E172-Y174 WeakPolarHBondContact O-CD2 3.27Å
173G91.2Very high96.5Very high11 Ų1135.4 Ų35.411%0.11317%0.171CC..THydrogen-bonded Turntrans88.5-6.6-179.400000114.8T153 Y171T153-G173 PolarHBondContact O-N 3.33Å; Y171-G173 PolarHBondContact O-N 2.73Å; Y171-G173 VanDerWaalsContact O-N 3.11Å
174Y92.7Very high96.4Very high182 Ų18237.4 Ų37.471%0.71418%0.182SC*.EExtended strand (participates in β ladder)trans-102.7123.4-179.9-61.1-85.7000111.2I170 Y171 E172I170-Y174 CarbonylContact C-O 3.5Å; I170-Y174 WeakPolarHBondContact CA-O 3.32Å; Y171-Y174 PolarHBondContact N-O 3.05Å; Y171-Y174 PolarHBondContact O-N 3.41Å; E172-Y174 VanDerWaalsContact C-N 3.35Å; E172-Y174 VanDerWaalsContact O-CD2 3.31Å; E172-Y174 WeakPolarHBondContact O-CD2 3.27Å
175A95.9Very high96.4Very high22 Ų2237.5 Ų37.518%0.18218%0.182CC..EExtended strand (participates in β ladder)trans-67.7137.2171.300000110.1M141 V144 V168 P169 I170 P177M141-A175 HydrophobicContact CE-CB 4.47Å; M141-A175 HydrophobicContact SD-CB 4.31Å; V144-A175 HydrophobicContact CG2-CB 4.04Å; V168-A175 HydrophobicContact CG1-CB 3.79Å; P169-A175 WeakPolarHBondContact O-CA 3.44Å; I170-A175 HydrophobicContact CG1-CB 4.39Å; A175-P177 WeakPolarHBondContact O-CD 3.35Å
176L96.5Very high96.4Very high23 Ų2337.4 Ų37.412%0.1218%0.181CC..  trans-84.497.8178-59.2-175.6000110.1P169 H178 A179 I180 L289P169-L176 HydrophobicContact CB-CB 4.35Å; P169-L176 HydrophobicContact CB-CD1 4Å; P169-L176 HydrophobicContact CB-CG 4.32Å; P169-L176 PolarHBondContact O-N 2.62Å; L176-H178 VanDerWaalsContact C-N 3.27Å; L176-H178 PolarHBondContact O-N 3.49Å; L176-H178 VanDerWaalsContact O-N 3.16Å; L176-A179 HydrophobicContact CB-CB 4.13Å; L176-A179 PolarHBondContact O-N 3.41Å; L176-I180 WeakPolarHBondContact O-CG1 3.44Å; L176-I180 PolarHBondContact O-N 2.91Å; L176-L289 HydrophobicContact CD1-CD1 3.87Å
177P94.6Very high96.4Very high97 Ų9737.4 Ų37.463%0.6318%0.181SC*.G310 helixtrans-66.2-30-163.8-2236.6000113.6A175 A179A175-P177 WeakPolarHBondContact O-CD 3.35Å; P177-A179 VanDerWaalsContact C-N 3.27Å; P177-A179 PolarHBondContact O-N 3.27Å
178H95.3Very high96.3Very high105 Ų10538.1 Ų38.149%0.48618%0.184SC..G310 helixtrans-73.8-17.4179.164.8-92.3000113.4L176 K284L176-H178 VanDerWaalsContact C-N 3.27Å; L176-H178 PolarHBondContact O-N 3.49Å; L176-H178 VanDerWaalsContact O-N 3.16Å; H178-K284 PolarHBondContact CD2-O 3.29Å
179A97.7Very high96.3Very high0 Ų039.4 Ų39.40%019%0.191CC..G310 helixtrans-109.64.3-176.600000113P169 L176 P177 E181 A281 K284 S285P169-A179 WeakPolarHBondContact CD-O 3.39Å; P169-A179 HydrophobicContact CG-CB 3.92Å; L176-A179 HydrophobicContact CB-CB 4.13Å; L176-A179 PolarHBondContact O-N 3.41Å; P177-A179 VanDerWaalsContact C-N 3.27Å; P177-A179 PolarHBondContact O-N 3.27Å; A179-E181 PolarHBondContact O-N 3.41Å; A179-A281 WeakPolarHBondContact O-CA 3.37Å; A179-A281 VanDerWaalsContact O-CB 3.29Å; A179-A281 WeakPolarHBondContact O-CB 3.36Å; A179-K284 HydrophobicContact CB-CB 3.88Å; A179-S285 WeakPolarHBondContact CB-OG 3.37Å
180I98Very high96.3Very high14 Ų1439.4 Ų39.47%0.07219%0.191CC..  trans-70125.7173.4-63.2178.8000109P114 M141 V168 L176P114-I180 HydrophobicContact CB-CG2 3.74Å; P114-I180 HydrophobicContact CG-CG2 4.39Å; M141-I180 HydrophobicContact CE-CD1 3.86Å; M141-I180 HydrophobicContact SD-CD1 4.23Å; V168-I180 HydrophobicContact CG1-CD1 4.36Å; V168-I180 HydrophobicContact CG1-CG1 4.18Å; V168-I180 HydrophobicContact CG2-CG1 4.25Å; V168-I180 HydrophobicContact CG2-CG2 4.02Å; L176-I180 WeakPolarHBondContact O-CG1 3.44Å; L176-I180 PolarHBondContact O-N 2.91Å
181E97.8Very high96.3Very high26 Ų2639.4 Ų39.412%0.12119%0.191CC..EExtended strand (participates in β ladder)trans-112.4134.8169.4-67.6-61.9132.800109.8H166 A167 A179 V277 Y280 A281 K284H166-E181 CarbonylContact C-O 3.59Å; H166-E181 WeakPolarHBondContact CA-O 3.37Å; H166-E181 WeakPolarHBondContact CB-O 3.45Å; A167-E181 PolarHBondContact N-O 3.18Å; A167-E181 PolarHBondContact O-N 2.85Å; A179-E181 PolarHBondContact O-N 3.41Å; E181-V277 HydrophobicContact CB-CG1 3.71Å; E181-Y280 VanDerWaalsContact CD-CD1 3.49Å; E181-Y280 HydrophobicContact CG-CD1 4.03Å; E181-A281 HydrophobicContact CB-CB 4.11Å; E181-A281 HydrophobicContact CG-CB 3.82Å; E181-K284 VanDerWaalsContact OE1-CD 3.3Å; E181-K284 WeakPolarHBondContact OE1-CD 3.38Å; E181-K284 VanDerWaalsContact OE1-CE 3.25Å; E181-K284 WeakPolarHBondContact OE1-CE 3.48Å; E181-K284 IonicContact OE1-NZ 2.69Å; E181-K284 PolarHBondContact OE1-NZ 2.93Å
182R95.9Very high96.3Very high47 Ų4739.9 Ų39.918%0.17719%0.192CC..EExtended strand (participates in β ladder)trans-136.4139.1178.5172.6-178159.2171.9-5109.8H77 P114 T165 H166 D184H77-R182 PolarHBondContact O-NH2 3.49Å; P114-R182 WeakPolarHBondContact O-CD 3.16Å; P114-R182 PolarHBondContact O-NH1 3.26Å; T165-R182 CarbonylContact O-C 3.31Å; T165-R182 WeakPolarHBondContact O-CA 3.2Å; H166-R182 HydrophobicContact CB-CB 4.19Å; H166-R182 HydrophobicContact CB-CG 4.47Å; R182-D184 IonicContact CZ-OD1 3.4Å; R182-D184 IonicContact NE-OD1 3.27Å; R182-D184 PolarHBondContact NE-OD1 2.99Å; R182-D184 IonicContact NH2-OD1 3.16Å; R182-D184 PolarHBondContact NH2-OD1 3.04Å; R182-D184 IonicContact NH2-OD2 3.91Å
183T95.9Very high96.5Very high10 Ų1035 Ų356%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-127.1143.9167.366.50000110.3T165 L185 Y271 V277T165-T183 PolarHBondContact N-O 2.94Å; T165-T183 PolarHBondContact O-N 3.15Å; T183-L185 PolarHBondContact O-N 2.83Å; T183-Y271 HydrophobicContact CG2-CD1 4.23Å; T183-V277 HydrophobicContact CG2-CG2 3.47Å; T183-V277 VanDerWaalsContact CG2-CG2 3.47Å
184D95.5Very high96.8Very high43 Ų4334.5 Ų34.523%0.2316%0.164CC..SBendtrans-89.240.4174.8-70.1-9.4000110.2H77 R182H77-D184 HydrophobicContact CB-CB 3.88Å; H77-D184 IonicContact CG-OD2 3.96Å; R182-D184 IonicContact CZ-OD1 3.4Å; R182-D184 IonicContact NE-OD1 3.27Å; R182-D184 PolarHBondContact NE-OD1 2.99Å; R182-D184 IonicContact NH2-OD1 3.16Å; R182-D184 PolarHBondContact NH2-OD1 3.04Å; R182-D184 IonicContact NH2-OD2 3.91Å
185L96.4Very high97Very high6 Ų630 Ų303%0.03115%0.146CC..  trans-123.9113.1175-176.6114.5000109T165 T183 D189 L260 L261 P264 Q269 Y271T165-L185 WeakPolarHBondContact CB-O 3.39Å; T165-L185 PolarHBondContact OG1-O 3.46Å; T183-L185 PolarHBondContact O-N 2.83Å; L185-D189 HydrophobicContact CD1-CB 4.47Å; L185-L260 HydrophobicContact CD1-CD1 4.28Å; L185-L260 HydrophobicContact CD1-CD2 4.28Å; L185-L260 HydrophobicContact CD1-CG 4.07Å; L185-L260 HydrophobicContact CD2-CG 4.49Å; L185-L260 WeakPolarHBondContact CD2-O 3.38Å; L185-L261 HydrophobicContact CD2-CD2 4.31Å; L185-P264 HydrophobicContact CD1-CB 4.19Å; L185-P264 HydrophobicContact CD2-CB 4.33Å; L185-P264 HydrophobicContact CD2-CG 3.92Å; L185-Q269 HydrophobicContact CD1-CB 4.5Å; L185-Q269 HydrophobicContact CD1-CG 4.26Å; L185-Y271 HydrophobicContact CB-CD2 3.99Å; L185-Y271 HydrophobicContact CB-CG 4.43Å; L185-Y271 HydrophobicContact CD1-CD2 4.27Å
186A97.4Very high97Very high0 Ų032.4 Ų32.40%016%0.155CC..SBendtrans-153.3-159.1-170.600000112.8D162 G163 V164 R188 D189 V190D162-A186 WeakPolarHBondContact O-CB 3.41Å; G163-A186 VanDerWaalsContact C-CB 3.47Å; V164-A186 VanDerWaalsContact N-CB 3.33Å; A186-R188 VanDerWaalsContact C-N 3.25Å; A186-R188 PolarHBondContact O-N 3.04Å; A186-D189 PolarHBondContact N-OD2 2.86Å; A186-D189 PolarHBondContact O-N 3.41Å; A186-D189 VanDerWaalsContact O-N 3.12Å; A186-V190 PolarHBondContact O-N 3.39Å
187G98Very high97Very high0 Ų032 Ų320%015%0.153CC..Hα-helixtrans-56.1-34.2-173.900000114.4G161 D162 V190 T191 K218 S303G161-G187 PolarHBondContact O-N 3.47Å; D162-G187 PolarHBondContact O-N 2.88Å; G187-V190 WeakPolarHBondContact O-CB 3.22Å; G187-V190 PolarHBondContact O-N 3.02Å; G187-T191 PolarHBondContact O-N 3.09Å; G187-T191 PolarHBondContact O-OG1 3.29Å; G187-T191 VanDerWaalsContact O-OG1 3.06Å; G187-K218 VanDerWaalsContact C-NZ 3.29Å; G187-K218 PolarHBondContact O-NZ 3.17Å; G187-S303 WeakPolarHBondContact CA-OG 3.39Å; G187-S303 PolarHBondContact N-OG 2.82Å
188R97.6Very high97.1Very high16 Ų1627.4 Ų27.46%0.0612%0.123CC..Hα-helixtrans-70-35.7-180-170.9167-68.5-108.2-6.2112.2Y73 D162 A186 T191 R192 F211Y73-R188 VanDerWaalsContact CD1-NH2 3.25Å; Y73-R188 VanDerWaalsContact CE1-NH2 3.32Å; Y73-R188 VanDerWaalsContact CE2-NH1 3.26Å; D162-R188 WeakPolarHBondContact O-CB 3.39Å; D162-R188 PolarHBondContact O-N 3.47Å; D162-R188 PolarHBondContact OD1-N 3.35Å; D162-R188 IonicContact OD2-CZ 2.78Å; D162-R188 VanDerWaalsContact OD2-CZ 3.23Å; D162-R188 IonicContact OD2-NE 3.68Å; D162-R188 PolarHBondContact OD2-NE 3.35Å; D162-R188 IonicContact OD2-NH2 3.56Å; D162-R188 PolarHBondContact OD2-NH2 2.59Å; A186-R188 VanDerWaalsContact C-N 3.25Å; A186-R188 PolarHBondContact O-N 3.04Å; R188-T191 WeakPolarHBondContact O-CB 3.19Å; R188-T191 PolarHBondContact O-N 3.09Å; R188-R192 WeakPolarHBondContact O-CG 3.27Å; R188-R192 PolarHBondContact O-N 3.13Å; R188-F211 HydrophobicContact CG-CE1 4.32Å; R188-F211 HydrophobicContact CG-CZ 4.25Å
189D97.7Very high97.1Very high26 Ų2630.1 Ų30.114%0.13913%0.129CC..Hα-helixtrans-68.9-39.1175.3-54.8-64000111.1L185 A186 T191 R192 F193 L260L185-D189 HydrophobicContact CD1-CB 4.47Å; A186-D189 PolarHBondContact N-OD2 2.86Å; A186-D189 PolarHBondContact O-N 3.41Å; A186-D189 VanDerWaalsContact O-N 3.12Å; D189-T191 VanDerWaalsContact C-N 3.31Å; D189-T191 PolarHBondContact O-N 3.15Å; D189-R192 PolarHBondContact O-N 3.04Å; D189-R192 IonicContact OD1-CZ 3.84Å; D189-R192 IonicContact OD1-NH1 2.98Å; D189-R192 PolarHBondContact OD1-NH1 3.32Å; D189-F193 WeakPolarHBondContact O-CB 3.33Å; D189-F193 PolarHBondContact O-N 3.48Å; D189-L260 HydrophobicContact CB-CD2 4.02Å
190V98.3Very high96.9Very high0 Ų037.5 Ų37.50%016%0.161CC..Hα-helixtrans-59.2-43.2169.8178.40000110.7A186 G187 F193 L194 K218 A257 P258 L261 F306A186-V190 PolarHBondContact O-N 3.39Å; G187-V190 WeakPolarHBondContact O-CB 3.22Å; G187-V190 PolarHBondContact O-N 3.02Å; V190-F193 PolarHBondContact O-N 2.98Å; V190-L194 VanDerWaalsContact O-CB 3.31Å; V190-L194 WeakPolarHBondContact O-CB 3.14Å; V190-L194 PolarHBondContact O-N 2.82Å; V190-K218 HydrophobicContact CB-CD 4Å; V190-K218 HydrophobicContact CG1-CD 3.67Å; V190-K218 HydrophobicContact CG1-CG 3.97Å; V190-A257 HydrophobicContact CG1-CB 4.14Å; V190-P258 HydrophobicContact CG1-CG 4.38Å; V190-L261 HydrophobicContact CG2-CD1 4.28Å; V190-L261 HydrophobicContact CG2-CD2 3.81Å; V190-L261 HydrophobicContact CG2-CG 3.77Å; V190-F306 HydrophobicContact CG1-CE2 4.49Å; V190-F306 HydrophobicContact CG1-CZ 4.08Å
191T98.2Very high96.5Very high1 Ų140.6 Ų40.61%0.00618%0.175CC..Hα-helixtrans-61.9-43.6175.3-52.80000111.7G187 R188 D189 L194 R195 F211 V214 R215 K218G187-T191 PolarHBondContact O-N 3.09Å; G187-T191 PolarHBondContact O-OG1 3.29Å; G187-T191 VanDerWaalsContact O-OG1 3.06Å; R188-T191 WeakPolarHBondContact O-CB 3.19Å; R188-T191 PolarHBondContact O-N 3.09Å; D189-T191 VanDerWaalsContact C-N 3.31Å; D189-T191 PolarHBondContact O-N 3.15Å; T191-L194 PolarHBondContact O-N 3.22Å; T191-R195 PolarHBondContact O-N 3.45Å; T191-F211 HydrophobicContact CG2-CD1 4.4Å; T191-F211 HydrophobicContact CG2-CD2 4.14Å; T191-F211 HydrophobicContact CG2-CE1 3.91Å; T191-F211 HydrophobicContact CG2-CE2 3.59Å; T191-F211 HydrophobicContact CG2-CZ 3.46Å; T191-F211 VanDerWaalsContact CG2-CZ 3.46Å; T191-V214 HydrophobicContact CG2-CB 4.06Å; T191-V214 HydrophobicContact CG2-CG1 3.88Å; T191-V214 WeakPolarHBondContact O-CG1 3.49Å; T191-R215 HydrophobicContact CG2-CB 3.98Å; T191-K218 WeakPolarHBondContact OG1-CD 3.4Å; T191-K218 WeakPolarHBondContact OG1-CE 3.34Å; T191-K218 PolarHBondContact OG1-NZ 3.26Å
192R97.2Very high96.1Very high90 Ų9042.7 Ų42.734%0.3420%0.204SC..Hα-helixtrans-63-42177-70.1175.4-172.2125.3-5.3111.8R188 D189 R195 L196 F211R188-R192 WeakPolarHBondContact O-CG 3.27Å; R188-R192 PolarHBondContact O-N 3.13Å; D189-R192 PolarHBondContact O-N 3.04Å; D189-R192 IonicContact OD1-CZ 3.84Å; D189-R192 IonicContact OD1-NH1 2.98Å; D189-R192 PolarHBondContact OD1-NH1 3.32Å; R192-R195 WeakPolarHBondContact O-CB 3.45Å; R192-R195 PolarHBondContact O-N 3.45Å; R192-L196 PolarHBondContact O-N 3.06Å; R192-L196 VanDerWaalsContact O-N 3.16Å; R192-F211 HydrophobicContact CB-CE2 4.46Å; R192-F211 HydrophobicContact CG-CE2 3.76Å; R192-F211 HydrophobicContact CG-CZ 3.77Å
193F97.7Very high96Very high17 Ų1741.3 Ų41.38%0.07520%0.202CC..Hα-helixtrans-69.6-41.3179-174.6-144.2000111.5D189 V190 R195 L196 L197 R256 A257 L260 L266 M267D189-F193 WeakPolarHBondContact O-CB 3.33Å; D189-F193 PolarHBondContact O-N 3.48Å; V190-F193 PolarHBondContact O-N 2.98Å; F193-R195 VanDerWaalsContact C-N 3.31Å; F193-R195 PolarHBondContact O-N 3.39Å; F193-L196 HydrophobicContact CD2-CD2 4.33Å; F193-L196 WeakPolarHBondContact O-CB 3.34Å; F193-L196 PolarHBondContact O-N 3.11Å; F193-L196 VanDerWaalsContact O-N 3.1Å; F193-L197 HydrophobicContact CD1-CD1 4.31Å; F193-L197 HydrophobicContact CD2-CD1 4.46Å; F193-L197 HydrophobicContact CD2-CG 4.2Å; F193-L197 HydrophobicContact CE1-CD1 4.06Å; F193-L197 HydrophobicContact CE2-CD1 4.23Å; F193-L197 HydrophobicContact CE2-CD2 3.91Å; F193-L197 HydrophobicContact CE2-CG 3.98Å; F193-L197 HydrophobicContact CZ-CD1 4.02Å; F193-L197 HydrophobicContact CZ-CD2 4.11Å; F193-L197 HydrophobicContact CZ-CG 4.24Å; F193-L197 WeakPolarHBondContact O-CG 3.39Å; F193-L197 PolarHBondContact O-N 3.37Å; F193-R256 WeakPolarHBondContact CE1-O 3.33Å; F193-A257 HydrophobicContact CD1-CB 4.38Å; F193-L260 HydrophobicContact CB-CD2 4.01Å; F193-L260 HydrophobicContact CD1-CB 4.02Å; F193-L260 HydrophobicContact CD1-CD2 4.27Å; F193-L260 HydrophobicContact CG-CD2 4.44Å; F193-L266 HydrophobicContact CE1-CB 4.47Å; F193-L266 HydrophobicContact CZ-CB 4.4Å; F193-M267 HydrophobicContact CB-CG 4.23Å; F193-M267 HydrophobicContact CB-SD 4.29Å; F193-M267 HydrophobicContact CD1-CG 4.32Å; F193-M267 HydrophobicContact CD2-CG 3.7Å; F193-M267 HydrophobicContact CD2-SD 3.3Å; F193-M267 WeakPolarHBondContact CD2-SD 3.37Å; F193-M267 HydrophobicContact CE2-CG 4.06Å; F193-M267 HydrophobicContact CE2-SD 3.78Å; F193-M267 HydrophobicContact CG-CG 3.84Å; F193-M267 HydrophobicContact CG-SD 3.97Å
194L97.9Very high95.9Very high0 Ų045.1 Ų45.10%022%0.222CC..Hα-helixtrans-56-46172-178.457.9000111.5V190 T191 L196 L197 L198 V214 I217 K218 A253 A257V190-L194 VanDerWaalsContact O-CB 3.31Å; V190-L194 WeakPolarHBondContact O-CB 3.14Å; V190-L194 PolarHBondContact O-N 2.82Å; T191-L194 PolarHBondContact O-N 3.22Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 2.77Å; L194-L197 PolarHBondContact O-N 3.45Å; L194-L197 VanDerWaalsContact O-N 3.12Å; L194-L198 HydrophobicContact CD1-CD1 4.32Å; L194-L198 HydrophobicContact CD1-CG 4.14Å; L194-L198 HydrophobicContact CG-CD1 4.03Å; L194-L198 HydrophobicContact CG-CG 4.31Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.37Å; L194-L198 PolarHBondContact O-N 2.97Å; L194-V214 HydrophobicContact CB-CG1 4Å; L194-V214 HydrophobicContact CD2-CG1 3.84Å; L194-V214 HydrophobicContact CG-CG1 3.83Å; L194-I217 HydrophobicContact CD2-CB 4.37Å; L194-I217 HydrophobicContact CD2-CG2 4.01Å; L194-K218 HydrophobicContact CD2-CB 3.7Å; L194-A253 HydrophobicContact CD1-CB 3.84Å; L194-A257 HydrophobicContact CB-CB 3.71Å; L194-A257 HydrophobicContact CD1-CB 3.99Å; L194-A257 HydrophobicContact CG-CB 4.4Å
195R97.7Very high95.9Very high88 Ų8844 Ų4433%0.33222%0.215SC..Hα-helixtrans-56.3-43.4175.5-172.9176.470.5163.61.6112.3T191 R192 F193 R199 F205 V214T191-R195 PolarHBondContact O-N 3.45Å; R192-R195 WeakPolarHBondContact O-CB 3.45Å; R192-R195 PolarHBondContact O-N 3.45Å; F193-R195 VanDerWaalsContact C-N 3.31Å; F193-R195 PolarHBondContact O-N 3.39Å; R195-R199 PolarHBondContact O-N 2.9Å; R195-F205 VanDerWaalsContact CD-O 3.27Å; R195-F205 WeakPolarHBondContact CD-O 3.5Å; R195-F205 HydrophobicContact CG-CB 4.26Å; R195-V214 HydrophobicContact CB-CG1 4.07Å; R195-V214 HydrophobicContact CB-CG2 4.34Å; R195-V214 HydrophobicContact CG-CG2 4.35Å
196L96.6Very high95.7Very high71 Ų7150 Ų5037%0.37224%0.243SC..Hα-helixtrans-64-41.2177.2177.664.2000111.8R192 F193 L194 R199 K200 M267R192-L196 PolarHBondContact O-N 3.06Å; R192-L196 VanDerWaalsContact O-N 3.16Å; F193-L196 HydrophobicContact CD2-CD2 4.33Å; F193-L196 WeakPolarHBondContact O-CB 3.34Å; F193-L196 PolarHBondContact O-N 3.11Å; F193-L196 VanDerWaalsContact O-N 3.1Å; L194-L196 VanDerWaalsContact C-N 3.29Å; L194-L196 PolarHBondContact O-N 2.77Å; L196-R199 PolarHBondContact O-N 3.06Å; L196-K200 WeakPolarHBondContact O-CG 3.43Å; L196-K200 PolarHBondContact O-N 3.39Å; L196-M267 HydrophobicContact CD2-SD 4.15Å
197L96Very high95.6Very high14 Ų1451.5 Ų51.57%0.07325%0.253CS..Hα-helixtrans-67.4-44177.9-65.2176.5000111.6F193 L194 R199 K200 E201 A253 R256 A257F193-L197 HydrophobicContact CD1-CD1 4.31Å; F193-L197 HydrophobicContact CD2-CD1 4.46Å; F193-L197 HydrophobicContact CD2-CG 4.2Å; F193-L197 HydrophobicContact CE1-CD1 4.06Å; F193-L197 HydrophobicContact CE2-CD1 4.23Å; F193-L197 HydrophobicContact CE2-CD2 3.91Å; F193-L197 HydrophobicContact CE2-CG 3.98Å; F193-L197 HydrophobicContact CZ-CD1 4.02Å; F193-L197 HydrophobicContact CZ-CD2 4.11Å; F193-L197 HydrophobicContact CZ-CG 4.24Å; F193-L197 WeakPolarHBondContact O-CG 3.39Å; F193-L197 PolarHBondContact O-N 3.37Å; L194-L197 PolarHBondContact O-N 3.45Å; L194-L197 VanDerWaalsContact O-N 3.12Å; L197-R199 VanDerWaalsContact C-N 3.27Å; L197-R199 PolarHBondContact O-N 3.13Å; L197-K200 WeakPolarHBondContact O-CB 3.28Å; L197-K200 PolarHBondContact O-N 3.05Å; L197-E201 PolarHBondContact O-N 2.92Å; L197-E201 VanDerWaalsContact O-N 3.07Å; L197-A253 HydrophobicContact CB-CB 3.76Å; L197-A253 HydrophobicContact CD1-CB 4.2Å; L197-R256 HydrophobicContact CD1-CB 3.72Å; L197-A257 HydrophobicContact CD1-CB 4.16Å
198L96.3Very high95.5Very high1 Ų154 Ų541%0.00527%0.268CS..Hα-helixtrans-58.7-39.9174.8-69.5175.3000111.7L194 K200 E201 G202 A203 F205 V214 I217 L248 I250L194-L198 HydrophobicContact CD1-CD1 4.32Å; L194-L198 HydrophobicContact CD1-CG 4.14Å; L194-L198 HydrophobicContact CG-CD1 4.03Å; L194-L198 HydrophobicContact CG-CG 4.31Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.37Å; L194-L198 PolarHBondContact O-N 2.97Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.15Å; L198-E201 CarbonylContact O-C 3.52Å; L198-E201 WeakPolarHBondContact O-CA 3.43Å; L198-E201 PolarHBondContact O-N 3.44Å; L198-G202 PolarHBondContact O-N 3.38Å; L198-G202 VanDerWaalsContact O-N 3.1Å; L198-A203 CarbonylContact C-O 3.23Å; L198-A203 VanDerWaalsContact C-O 3.23Å; L198-A203 HydrophobicContact CB-CB 4.38Å; L198-A203 PolarHBondContact O-N 3.32Å; L198-F205 HydrophobicContact CB-CE2 4.47Å; L198-F205 HydrophobicContact CD1-CD2 4.2Å; L198-F205 HydrophobicContact CD1-CE2 3.9Å; L198-V214 HydrophobicContact CD1-CG1 4.22Å; L198-V214 HydrophobicContact CD1-CG2 4.4Å; L198-I217 HydrophobicContact CD1-CD1 4.25Å; L198-L248 HydrophobicContact CD2-CD2 4.15Å; L198-I250 HydrophobicContact CD2-CG1 4.28Å; L198-I250 HydrophobicContact CD2-CG2 3.88Å
199R95.6Very high95.3Very high162 Ų16253.8 Ų53.861%0.61127%0.269SS*.Hα-helixtrans-62.5-38174.7-172.9175.3-179.3-172.12.6112.6R195 L196 L197 E201 G202 A203 D204R195-R199 PolarHBondContact O-N 2.9Å; L196-R199 PolarHBondContact O-N 3.06Å; L197-R199 VanDerWaalsContact C-N 3.27Å; L197-R199 PolarHBondContact O-N 3.13Å; R199-E201 PolarHBondContact O-N 2.85Å; R199-G202 PolarHBondContact O-N 2.82Å; R199-A203 VanDerWaalsContact CA-O 3.22Å; R199-A203 WeakPolarHBondContact CA-O 3.29Å; R199-A203 PolarHBondContact N-O 3.46Å; R199-D204 IonicContact NE-OD1 3.15Å
200K92.6Very high95.2Very high155 Ų15554.9 Ų54.967%0.67427%0.273SS*.Hα-helixtrans-67.4-26.5174.2-69.7176179.3-177.10112.4L196 L197 L198 G202L196-K200 WeakPolarHBondContact O-CG 3.43Å; L196-K200 PolarHBondContact O-N 3.39Å; L197-K200 WeakPolarHBondContact O-CB 3.28Å; L197-K200 PolarHBondContact O-N 3.05Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.15Å; K200-G202 VanDerWaalsContact C-N 3.32Å
201E89.7Confident95.1Very high79 Ų7955.7 Ų55.737%0.36928%0.277SS..THydrogen-bonded Turntrans-86.80.4174.7-65.6177-173.400112.7L197 L198 R199L197-E201 PolarHBondContact O-N 2.92Å; L197-E201 VanDerWaalsContact O-N 3.07Å; L198-E201 CarbonylContact O-C 3.52Å; L198-E201 WeakPolarHBondContact O-CA 3.43Å; L198-E201 PolarHBondContact O-N 3.44Å; R199-E201 PolarHBondContact O-N 2.85Å
202G90.4Very high95.1Very high71 Ų7155.8 Ų55.873%0.73228%0.277SS*.THydrogen-bonded Turntrans100.6-0.7174.100000115.7L198 R199 K200L198-G202 PolarHBondContact O-N 3.38Å; L198-G202 VanDerWaalsContact O-N 3.1Å; R199-G202 PolarHBondContact O-N 2.82Å; K200-G202 VanDerWaalsContact C-N 3.32Å
203A93.2Very high95Very high17 Ų1752.9 Ų52.914%0.1427%0.268CS..  trans-98.6110.8176.900000111.4L198 R199 F205 L248L198-A203 CarbonylContact C-O 3.23Å; L198-A203 VanDerWaalsContact C-O 3.23Å; L198-A203 HydrophobicContact CB-CB 4.38Å; L198-A203 PolarHBondContact O-N 3.32Å; R199-A203 VanDerWaalsContact CA-O 3.22Å; R199-A203 WeakPolarHBondContact CA-O 3.29Å; R199-A203 PolarHBondContact N-O 3.46Å; A203-F205 HydrophobicContact CB-CE2 3.97Å; A203-L248 HydrophobicContact CB-CD1 3.51Å
204D93.9Very high95Very high90 Ų9052 Ų5248%0.48126%0.264SS..  trans-99.1116.9-176.7-16526.6000112.3R199R199-D204 IonicContact NE-OD1 3.15Å
205F95.4Very high95Very high19 Ų1952.7 Ų52.78%0.08327%0.267CS..  trans-118.7116.9175.1-63.8-76.9000107.9R195 L198 A203 E210 I213 V214 I217 L242 L248R195-F205 VanDerWaalsContact CD-O 3.27Å; R195-F205 WeakPolarHBondContact CD-O 3.5Å; R195-F205 HydrophobicContact CG-CB 4.26Å; L198-F205 HydrophobicContact CB-CE2 4.47Å; L198-F205 HydrophobicContact CD1-CD2 4.2Å; L198-F205 HydrophobicContact CD1-CE2 3.9Å; A203-F205 HydrophobicContact CB-CE2 3.97Å; F205-E210 HydrophobicContact CB-CB 3.97Å; F205-E210 HydrophobicContact CD1-CB 3.84Å; F205-E210 HydrophobicContact CD1-CG 4.04Å; F205-E210 HydrophobicContact CG-CB 4.38Å; F205-I213 HydrophobicContact CE1-CG2 4.39Å; F205-V214 HydrophobicContact CB-CG2 3.91Å; F205-V214 HydrophobicContact CD1-CG2 4.44Å; F205-V214 HydrophobicContact CD2-CG2 3.77Å; F205-V214 HydrophobicContact CE2-CG2 4.39Å; F205-V214 HydrophobicContact CG-CG2 3.79Å; F205-I217 HydrophobicContact CZ-CD1 4.46Å; F205-L242 HydrophobicContact CZ-CD2 4.3Å; F205-L248 HydrophobicContact CE2-CD2 4.14Å; F205-L248 HydrophobicContact CZ-CD2 4.1Å
206H93.5Very high94.9Very high133 Ų13350.2 Ų50.262%0.61626%0.259SS*.  trans-126-22.3-169.766.1-77.1000113.7E210H206-E210 IonicContact CE1-OE2 3.88Å; H206-E210 IonicContact CG-OE2 3.68Å; H206-E210 PolarHBondContact N-OE2 3.43Å; H206-E210 IonicContact ND1-OE2 3.8Å; H206-E210 PolarHBondContact ND1-OE2 3.41Å
207T94.8Very high94.9Very high32 Ų3246.9 Ų46.920%0.19624%0.241CC..SBendtrans-85160.8179.6670000112.7S209 E210 F211T207-S209 VanDerWaalsContact C-N 3.28Å; T207-S209 PolarHBondContact O-N 3.05Å; T207-S209 PolarHBondContact OG1-OG 3.46Å; T207-E210 WeakPolarHBondContact CB-OE2 3.42Å; T207-E210 PolarHBondContact N-OE2 2.93Å; T207-E210 PolarHBondContact O-N 3.39Å; T207-E210 VanDerWaalsContact OG1-CB 3.3Å; T207-E210 WeakPolarHBondContact OG1-CB 3.3Å; T207-E210 WeakPolarHBondContact OG1-CG 3.37Å; T207-E210 PolarHBondContact OG1-N 3.49Å; T207-E210 VanDerWaalsContact OG1-N 3.12Å; T207-E210 PolarHBondContact OG1-OE2 3.23Å; T207-F211 PolarHBondContact O-N 2.92Å
208T95Very high95Very high53 Ų5346.6 Ų46.633%0.32524%0.239SC..Hα-helixtrans-67-30.5175.452.40000112.4I71 F211I71-T208 PolarHBondContact N-OG1 3.26Å; T208-F211 WeakPolarHBondContact O-CB 3.33Å
209S93.7Very high95Very high10 Ų1051.3 Ų51.37%0.0726%0.261CS..Hα-helixtrans-68-41.4172.549.50000112.8K43 R66 T207 F211 E212K43-S209 PolarHBondContact NZ-OG 3Å; R66-S209 WeakPolarHBondContact O-CB 3.33Å; T207-S209 VanDerWaalsContact C-N 3.28Å; T207-S209 PolarHBondContact O-N 3.05Å; T207-S209 PolarHBondContact OG1-OG 3.46Å; S209-F211 VanDerWaalsContact C-N 3.32Å; S209-E212 WeakPolarHBondContact O-CB 3.15Å; S209-E212 PolarHBondContact O-N 3.04Å
210E95.5Very high95Very high49 Ų4952.3 Ų52.323%0.22927%0.265CS..Hα-helixtrans-69.9-30.7176.4-76163.1163.700112.3F205 H206 T207 E212 I213 V214F205-E210 HydrophobicContact CB-CB 3.97Å; F205-E210 HydrophobicContact CD1-CB 3.84Å; F205-E210 HydrophobicContact CD1-CG 4.04Å; F205-E210 HydrophobicContact CG-CB 4.38Å; H206-E210 IonicContact CE1-OE2 3.88Å; H206-E210 IonicContact CG-OE2 3.68Å; H206-E210 PolarHBondContact N-OE2 3.43Å; H206-E210 IonicContact ND1-OE2 3.8Å; H206-E210 PolarHBondContact ND1-OE2 3.41Å; T207-E210 WeakPolarHBondContact CB-OE2 3.42Å; T207-E210 PolarHBondContact N-OE2 2.93Å; T207-E210 PolarHBondContact O-N 3.39Å; T207-E210 VanDerWaalsContact OG1-CB 3.3Å; T207-E210 WeakPolarHBondContact OG1-CB 3.3Å; T207-E210 WeakPolarHBondContact OG1-CG 3.37Å; T207-E210 PolarHBondContact OG1-N 3.49Å; T207-E210 VanDerWaalsContact OG1-N 3.12Å; T207-E210 PolarHBondContact OG1-OE2 3.23Å; E210-E212 PolarHBondContact O-N 3.29Å; E210-I213 HydrophobicContact CG-CD1 4.47Å; E210-I213 WeakPolarHBondContact O-CA 3.15Å; E210-I213 VanDerWaalsContact O-CB 3.29Å; E210-I213 WeakPolarHBondContact O-CB 3.11Å; E210-I213 PolarHBondContact O-N 3.36Å; E210-V214 PolarHBondContact O-N 3.06Å
211F97.2Very high95.2Very high18 Ų1845.7 Ų45.78%0.07924%0.239CC..Hα-helixtrans-57-33.6173.6-171.6-105.7000112.3R188 T191 R192 T207 T208 S209 V214 R215R188-F211 HydrophobicContact CG-CE1 4.32Å; R188-F211 HydrophobicContact CG-CZ 4.25Å; T191-F211 HydrophobicContact CG2-CD1 4.4Å; T191-F211 HydrophobicContact CG2-CD2 4.14Å; T191-F211 HydrophobicContact CG2-CE1 3.91Å; T191-F211 HydrophobicContact CG2-CE2 3.59Å; T191-F211 HydrophobicContact CG2-CZ 3.46Å; T191-F211 VanDerWaalsContact CG2-CZ 3.46Å; R192-F211 HydrophobicContact CB-CE2 4.46Å; R192-F211 HydrophobicContact CG-CE2 3.76Å; R192-F211 HydrophobicContact CG-CZ 3.77Å; T207-F211 PolarHBondContact O-N 2.92Å; T208-F211 WeakPolarHBondContact O-CB 3.33Å; S209-F211 VanDerWaalsContact C-N 3.32Å; F211-V214 WeakPolarHBondContact O-CB 3.3Å; F211-V214 PolarHBondContact O-N 3.43Å; F211-R215 PolarHBondContact O-N 3.44Å
212E96.5Very high95.5Very high3 Ų342.4 Ų42.41%0.01423%0.225CC..Hα-helixtrans-72.3-27.4174.4-75.4-62.210900113.4Y38 R66 I71 Y73 S209 E210 R215 Q216Y38-E212 HydrophobicContact CE1-CG 4.02Å; R66-E212 IonicContact NH1-OE2 3.99Å; I71-E212 HydrophobicContact CD1-CG 3.81Å; Y73-E212 PolarHBondContact OH-OE1 3.12Å; S209-E212 WeakPolarHBondContact O-CB 3.15Å; S209-E212 PolarHBondContact O-N 3.04Å; E210-E212 PolarHBondContact O-N 3.29Å; E212-R215 PolarHBondContact O-N 3.4Å; E212-R215 IonicContact OE1-NE 3.54Å; E212-R215 IonicContact OE2-CZ 2.79Å; E212-R215 VanDerWaalsContact OE2-CZ 3.29Å; E212-R215 IonicContact OE2-NE 2.76Å; E212-R215 PolarHBondContact OE2-NE 3.46Å; E212-R215 IonicContact OE2-NH2 3.69Å; E212-R215 PolarHBondContact OE2-NH2 3.45Å; E212-Q216 WeakPolarHBondContact O-CG 3.45Å; E212-Q216 PolarHBondContact O-N 2.83Å
213I95.6Very high95.8Very high28 Ų2840.7 Ų40.714%0.14420%0.197CC..Hα-helixtrans-66.1-44.6169.2-57.3174.6000109.1F205 E210 R215 Q216 I217 L242 P243F205-I213 HydrophobicContact CE1-CG2 4.39Å; E210-I213 HydrophobicContact CG-CD1 4.47Å; E210-I213 WeakPolarHBondContact O-CA 3.15Å; E210-I213 VanDerWaalsContact O-CB 3.29Å; E210-I213 WeakPolarHBondContact O-CB 3.11Å; E210-I213 PolarHBondContact O-N 3.36Å; I213-R215 VanDerWaalsContact C-N 3.28Å; I213-R215 PolarHBondContact O-N 3.35Å; I213-Q216 WeakPolarHBondContact O-CB 3.38Å; I213-Q216 PolarHBondContact O-N 3.02Å; I213-I217 HydrophobicContact CG2-CD1 4.17Å; I213-I217 WeakPolarHBondContact O-CG1 3.29Å; I213-I217 PolarHBondContact O-N 2.91Å; I213-L242 HydrophobicContact CG2-CD2 3.9Å; I213-P243 HydrophobicContact CD1-CG 4.02Å; I213-P243 HydrophobicContact CG1-CG 4.33Å
214V97.8Very high95.9Very high0 Ų040.1 Ų40.10%019%0.192CC..Hα-helixtrans-60.6-38.4175.4-175.80000111.3T191 L194 R195 L198 F205 E210 F211 Q216 I217 K218T191-V214 HydrophobicContact CG2-CB 4.06Å; T191-V214 HydrophobicContact CG2-CG1 3.88Å; T191-V214 WeakPolarHBondContact O-CG1 3.49Å; L194-V214 HydrophobicContact CB-CG1 4Å; L194-V214 HydrophobicContact CD2-CG1 3.84Å; L194-V214 HydrophobicContact CG-CG1 3.83Å; R195-V214 HydrophobicContact CB-CG1 4.07Å; R195-V214 HydrophobicContact CB-CG2 4.34Å; R195-V214 HydrophobicContact CG-CG2 4.35Å; L198-V214 HydrophobicContact CD1-CG1 4.22Å; L198-V214 HydrophobicContact CD1-CG2 4.4Å; F205-V214 HydrophobicContact CB-CG2 3.91Å; F205-V214 HydrophobicContact CD1-CG2 4.44Å; F205-V214 HydrophobicContact CD2-CG2 3.77Å; F205-V214 HydrophobicContact CE2-CG2 4.39Å; F205-V214 HydrophobicContact CG-CG2 3.79Å; E210-V214 PolarHBondContact O-N 3.06Å; F211-V214 WeakPolarHBondContact O-CB 3.3Å; F211-V214 PolarHBondContact O-N 3.43Å; V214-Q216 VanDerWaalsContact C-N 3.35Å; V214-Q216 PolarHBondContact O-N 3.45Å; V214-I217 PolarHBondContact O-N 3.33Å; V214-K218 WeakPolarHBondContact O-CB 3.45Å; V214-K218 PolarHBondContact O-N 2.83Å
215R97.5Very high95.9Very high14 Ų1436.3 Ų36.35%0.05317%0.172CC..Hα-helixtrans-61.1-42.7172.8-175.8-173.764.385.3-4111.7T191 F211 E212 I213 K218 E219T191-R215 HydrophobicContact CG2-CB 3.98Å; F211-R215 PolarHBondContact O-N 3.44Å; E212-R215 PolarHBondContact O-N 3.4Å; E212-R215 IonicContact OE1-NE 3.54Å; E212-R215 IonicContact OE2-CZ 2.79Å; E212-R215 VanDerWaalsContact OE2-CZ 3.29Å; E212-R215 IonicContact OE2-NE 2.76Å; E212-R215 PolarHBondContact OE2-NE 3.46Å; E212-R215 IonicContact OE2-NH2 3.69Å; E212-R215 PolarHBondContact OE2-NH2 3.45Å; I213-R215 VanDerWaalsContact C-N 3.28Å; I213-R215 PolarHBondContact O-N 3.35Å; R215-K218 WeakPolarHBondContact O-CB 3.49Å; R215-K218 PolarHBondContact O-N 3.03Å; R215-E219 IonicContact CZ-OE1 3.16Å; R215-E219 VanDerWaalsContact NH1-CD 3.27Å; R215-E219 IonicContact NH1-OE1 3.49Å; R215-E219 PolarHBondContact NH1-OE1 3.35Å; R215-E219 IonicContact NH1-OE2 2.69Å; R215-E219 PolarHBondContact NH1-OE2 2.84Å; R215-E219 VanDerWaalsContact NH1-OE2 3.15Å; R215-E219 WeakPolarHBondContact O-CG 3.47Å; R215-E219 PolarHBondContact O-N 3.03Å
216Q96.2Very high95.7Very high36 Ų3639.8 Ų39.817%0.16819%0.191CC..Hα-helixtrans-66.7-39.5177.9-71.3178.2-11.200112.2E212 I213 V214 K218 E219 R220E212-Q216 WeakPolarHBondContact O-CG 3.45Å; E212-Q216 PolarHBondContact O-N 2.83Å; I213-Q216 WeakPolarHBondContact O-CB 3.38Å; I213-Q216 PolarHBondContact O-N 3.02Å; V214-Q216 VanDerWaalsContact C-N 3.35Å; V214-Q216 PolarHBondContact O-N 3.45Å; Q216-K218 VanDerWaalsContact C-N 3.33Å; Q216-E219 PolarHBondContact O-N 3.3Å; Q216-R220 WeakPolarHBondContact O-CB 3.32Å; Q216-R220 WeakPolarHBondContact O-CG 3.26Å; Q216-R220 PolarHBondContact O-N 2.82Å
217I97.2Very high95.4Very high0 Ų037.2 Ų37.20%018%0.182CC..Hα-helixtrans-58.6-47.4171.6-68.1167.2000110.2L194 L198 F205 I213 V214 E219 R220 A221 Y240 L242 L248 I250L194-I217 HydrophobicContact CD2-CB 4.37Å; L194-I217 HydrophobicContact CD2-CG2 4.01Å; L198-I217 HydrophobicContact CD1-CD1 4.25Å; F205-I217 HydrophobicContact CZ-CD1 4.46Å; I213-I217 HydrophobicContact CG2-CD1 4.17Å; I213-I217 WeakPolarHBondContact O-CG1 3.29Å; I213-I217 PolarHBondContact O-N 2.91Å; V214-I217 PolarHBondContact O-N 3.33Å; I217-E219 VanDerWaalsContact C-N 3.35Å; I217-E219 PolarHBondContact O-N 3.19Å; I217-R220 PolarHBondContact O-N 3.29Å; I217-A221 HydrophobicContact CG2-CB 4.35Å; I217-A221 WeakPolarHBondContact O-CB 3.39Å; I217-A221 PolarHBondContact O-N 3.09Å; I217-Y240 HydrophobicContact CD1-CD1 4.23Å; I217-Y240 HydrophobicContact CD1-CE1 4.24Å; I217-Y240 HydrophobicContact CG1-CD1 3.7Å; I217-Y240 HydrophobicContact CG1-CD2 4.36Å; I217-Y240 HydrophobicContact CG1-CE1 3.46Å; I217-Y240 VanDerWaalsContact CG1-CE1 3.46Å; I217-Y240 HydrophobicContact CG1-CE2 4.15Å; I217-Y240 HydrophobicContact CG1-CG 4.16Å; I217-L242 HydrophobicContact CD1-CD2 4.42Å; I217-L248 HydrophobicContact CD1-CD2 3.85Å; I217-I250 HydrophobicContact CB-CD1 4.49Å; I217-I250 HydrophobicContact CG1-CD1 4.44Å; I217-I250 HydrophobicContact CG2-CD1 3.29Å
218K97.6Very high94.6Very high8 Ų837.3 Ų37.34%0.03518%0.183CC..Hα-helixtrans-53.1-52.5175.7178.3-166.969.3178.30111.1D162 G187 V190 T191 L194 V214 R215 Q216 R220 C222 F306D162-K218 IonicContact OD1-NZ 2.6Å; G187-K218 VanDerWaalsContact C-NZ 3.29Å; G187-K218 PolarHBondContact O-NZ 3.17Å; V190-K218 HydrophobicContact CB-CD 4Å; V190-K218 HydrophobicContact CG1-CD 3.67Å; V190-K218 HydrophobicContact CG1-CG 3.97Å; T191-K218 WeakPolarHBondContact OG1-CD 3.4Å; T191-K218 WeakPolarHBondContact OG1-CE 3.34Å; T191-K218 PolarHBondContact OG1-NZ 3.26Å; L194-K218 HydrophobicContact CD2-CB 3.7Å; V214-K218 WeakPolarHBondContact O-CB 3.45Å; V214-K218 PolarHBondContact O-N 2.83Å; R215-K218 WeakPolarHBondContact O-CB 3.49Å; R215-K218 PolarHBondContact O-N 3.03Å; Q216-K218 VanDerWaalsContact C-N 3.33Å; K218-R220 VanDerWaalsContact C-N 3.33Å; K218-R220 PolarHBondContact O-N 3.49Å; K218-C222 VanDerWaalsContact O-CB 3.25Å; K218-C222 WeakPolarHBondContact O-CB 3.33Å; K218-C222 PolarHBondContact O-N 2.87Å; K218-F306 HydrophobicContact CD-CZ 3.99Å; K218-F306 HydrophobicContact CG-CE1 3.95Å; K218-F306 HydrophobicContact CG-CZ 3.62Å
219E96.7Very high94Very high100 Ų10039.3 Ų39.347%0.46720%0.199SC..Hα-helixtrans-67.7-30.5-175.5-72.1173.4-163.900113.5R215 Q216 I217R215-E219 IonicContact CZ-OE1 3.16Å; R215-E219 VanDerWaalsContact NH1-CD 3.27Å; R215-E219 IonicContact NH1-OE1 3.49Å; R215-E219 PolarHBondContact NH1-OE1 3.35Å; R215-E219 IonicContact NH1-OE2 2.69Å; R215-E219 PolarHBondContact NH1-OE2 2.84Å; R215-E219 VanDerWaalsContact NH1-OE2 3.15Å; R215-E219 WeakPolarHBondContact O-CG 3.47Å; R215-E219 PolarHBondContact O-N 3.03Å; Q216-E219 PolarHBondContact O-N 3.3Å; I217-E219 VanDerWaalsContact C-N 3.35Å; I217-E219 PolarHBondContact O-N 3.19Å
220R95.8Very high93.3Very high183 Ų18345 Ų4569%0.69122%0.223SC*.Hα-helixtrans-97.5-34.8-173.7-68.6177.7177.5-174.4-2114.5Q216 I217 K218 Y240Q216-R220 WeakPolarHBondContact O-CB 3.32Å; Q216-R220 WeakPolarHBondContact O-CG 3.26Å; Q216-R220 PolarHBondContact O-N 2.82Å; I217-R220 PolarHBondContact O-N 3.29Å; K218-R220 VanDerWaalsContact C-N 3.33Å; K218-R220 PolarHBondContact O-N 3.49Å; R220-Y240 HydrophobicContact CB-CE2 4.07Å
221A94.8Very high92.5Very high16 Ų1644.1 Ų44.113%0.13222%0.221CC..Hα-helixtrans-111.7-23.4-168.900000114I217 Y240 I250 R254I217-A221 HydrophobicContact CG2-CB 4.35Å; I217-A221 WeakPolarHBondContact O-CB 3.39Å; I217-A221 PolarHBondContact O-N 3.09Å; A221-Y240 HydrophobicContact CB-CD2 4.47Å; A221-I250 HydrophobicContact CB-CD1 4.43Å; A221-R254 HydrophobicContact CB-CG 4.43Å; A221-R254 PolarHBondContact O-NE 3.33Å; A221-R254 PolarHBondContact O-NH2 3.24Å
222C96.8Very high91.6Very high10 Ų1048 Ų487%0.06824%0.239CC..  trans-87.7154-174.8-60.80000112.6K218 R254 P258 F306K218-C222 VanDerWaalsContact O-CB 3.25Å; K218-C222 WeakPolarHBondContact O-CB 3.33Å; K218-C222 PolarHBondContact O-N 2.87Å; C222-R254 CarbonylContact C-O 3.48Å; C222-R254 WeakPolarHBondContact CA-O 3.5Å; C222-R254 WeakPolarHBondContact CB-O 3.25Å; C222-P258 HydrophobicContact CB-CG 3.66Å; C222-F306 HydrophobicContact CB-CD1 4.4Å; C222-F306 HydrophobicContact CB-CE1 3.82Å
223F96.4Very high90.4Very high35 Ų3552 Ų5215%0.15427%0.273CS..BIsolated β-bridgetrans-155.1165.8-178.763.4-85.5000110.8V231 E235 R254 F255 K307F223-V231 HydrophobicContact CE2-CG1 4.48Å; F223-V231 HydrophobicContact CZ-CG1 4.17Å; F223-E235 WeakPolarHBondContact CE1-OE1 3.22Å; F223-E235 WeakPolarHBondContact CZ-OE1 3.34Å; F223-E235 VanDerWaalsContact CZ-OE2 3.29Å; F223-E235 WeakPolarHBondContact CZ-OE2 3.47Å; F223-R254 HydrophobicContact CD1-CB 4.4Å; F223-R254 HydrophobicContact CE1-CB 4.09Å; F223-R254 PolarHBondContact N-O 3.24Å; F223-F255 HydrophobicContact CD2-CB 4.41Å; F223-F255 HydrophobicContact CE1-CB 4.41Å; F223-F255 HydrophobicContact CE2-CB 3.94Å; F223-F255 HydrophobicContact CZ-CB 3.95Å; F223-F255 HydrophobicContact CZ-CD1 4.18Å; F223-F255 WeakPolarHBondContact O-CA 3.48Å; F223-K307 HydrophobicContact CB-CB 4.02Å
224I96.3Very high89.2Confident5 Ų557.6 Ų57.63%0.02630%0.3CS..  trans-100.1128.9176.2-71.2161.4000109.4P258 F262 F306 K307 F309 R312I224-P258 HydrophobicContact CG1-CB 3.71Å; I224-F262 HydrophobicContact CD1-CD2 4.49Å; I224-F262 HydrophobicContact CD1-CE2 3.74Å; I224-F262 HydrophobicContact CG2-CE2 4.3Å; I224-F306 HydrophobicContact CD1-CB 3.71Å; I224-F306 HydrophobicContact CD1-CD2 4.14Å; I224-F306 HydrophobicContact CD1-CG 4.25Å; I224-F306 HydrophobicContact CG1-CB 4.03Å; I224-F306 HydrophobicContact CG1-CG 4.43Å; I224-K307 PolarHBondContact N-O 3.38Å; I224-F309 HydrophobicContact CD1-CB 3.8Å; I224-F309 HydrophobicContact CD1-CD2 3.42Å; I224-F309 VanDerWaalsContact CD1-CD2 3.42Å; I224-F309 HydrophobicContact CD1-CE2 4.39Å; I224-F309 HydrophobicContact CD1-CG 4.03Å; I224-R312 HydrophobicContact CG2-CB 3.5Å; I224-R312 VanDerWaalsContact CG2-CB 3.5Å; I224-R312 HydrophobicContact CG2-CG 3.69Å
225S92.7Very high87.9Confident10 Ų1061 Ų617%0.0732%0.316CS..  trans-94.5143.4174.8-178.40000111.4N227 V231 R312S225-N227 VanDerWaalsContact C-N 3.32Å; S225-N227 PolarHBondContact OG-N 2.97Å; S225-N227 VanDerWaalsContact OG-N 3.07Å; S225-N227 PolarHBondContact OG-O 3.32Å; S225-N227 VanDerWaalsContact OG-O 3.12Å; S225-V231 WeakPolarHBondContact OG-CG2 3.37Å; S225-R312 PolarHBondContact O-NH1 3.43Å; S225-R312 VanDerWaalsContact O-NH1 3.09Å
226L91.2Very high86.5Confident92 Ų9264 Ų6448%0.48234%0.344SS..SBendtrans-73-27.3168-68.8174.4000112.4D311 R312 L315L226-D311 HydrophobicContact CD1-CB 4.29Å; L226-D311 HydrophobicContact CD2-CB 3.87Å; L226-D311 HydrophobicContact CG-CB 4.4Å; L226-R312 HydrophobicContact CD2-CB 4.11Å; L226-L315 HydrophobicContact CD2-CB 4.42Å; L226-L315 HydrophobicContact CD2-CD2 4.14Å
227N87.2Confident85.9Confident80 Ų8067.7 Ų67.743%0.42836%0.364SS..  trans-143.786.5179.2-173.5-21.5000109S225 S229 K230 V231S225-N227 VanDerWaalsContact C-N 3.32Å; S225-N227 PolarHBondContact OG-N 2.97Å; S225-N227 VanDerWaalsContact OG-N 3.07Å; S225-N227 PolarHBondContact OG-O 3.32Å; S225-N227 VanDerWaalsContact OG-O 3.12Å; N227-S229 PolarHBondContact O-N 3.27Å; N227-S229 PolarHBondContact OD1-N 3.03Å; N227-K230 HydrophobicContact CB-CB 4.14Å; N227-K230 PolarHBondContact O-N 3.48Å; N227-K230 PolarHBondContact OD1-N 3.22Å; N227-K230 VanDerWaalsContact OD1-N 3.15Å; N227-V231 PolarHBondContact O-N 2.92Å
228P79.6Confident85.4Confident34 Ų3469 Ų6922%0.22138%0.375CS..Hα-helixtrans-53.8-40.1-179.3-27.935.6000113K230 V231 E232 F255P228-K230 VanDerWaalsContact C-N 3.34Å; P228-K230 PolarHBondContact O-N 2.92Å; P228-V231 PolarHBondContact O-N 2.69Å; P228-E232 PolarHBondContact O-N 2.84Å; P228-F255 HydrophobicContact CB-CD2 4.17Å; P228-F255 HydrophobicContact CB-CE2 4.23Å
229S80.8Confident85.2Confident94 Ų9472.3 Ų72.366%0.65740%0.399SS*.Hα-helixtrans-62.9-37.5-179.3-50.70000113.2N227N227-S229 PolarHBondContact O-N 3.27Å; N227-S229 PolarHBondContact OD1-N 3.03Å
230K79.7Confident85Confident131 Ų13168.4 Ų68.457%0.5738%0.38SS*.Hα-helixtrans-70.5-39.2177-175.3178.4178.4-178.80111.8N227 P228 A233 M234N227-K230 HydrophobicContact CB-CB 4.14Å; N227-K230 PolarHBondContact O-N 3.48Å; N227-K230 PolarHBondContact OD1-N 3.22Å; N227-K230 VanDerWaalsContact OD1-N 3.15Å; P228-K230 VanDerWaalsContact C-N 3.34Å; P228-K230 PolarHBondContact O-N 2.92Å; K230-A233 PolarHBondContact O-N 3.15Å; K230-M234 HydrophobicContact CG-SD 4.1Å; K230-M234 WeakPolarHBondContact O-CG 3.5Å
231V78.8Confident85Confident30 Ų3064.1 Ų64.118%0.18238%0.376CS..Hα-helixtrans-67.1-41.3179.7177.50000110.4F223 S225 N227 P228 A233 M234 E235 F255F223-V231 HydrophobicContact CE2-CG1 4.48Å; F223-V231 HydrophobicContact CZ-CG1 4.17Å; S225-V231 WeakPolarHBondContact OG-CG2 3.37Å; N227-V231 PolarHBondContact O-N 2.92Å; P228-V231 PolarHBondContact O-N 2.69Å; V231-A233 PolarHBondContact O-N 3.4Å; V231-M234 PolarHBondContact O-N 3.22Å; V231-E235 HydrophobicContact CG1-CB 3.87Å; V231-E235 HydrophobicContact CG1-CG 4.34Å; V231-E235 WeakPolarHBondContact CG1-OE2 3.31Å; V231-E235 WeakPolarHBondContact O-CB 3.18Å; V231-E235 PolarHBondContact O-N 3.47Å; V231-F255 HydrophobicContact CB-CD1 4.42Å; V231-F255 HydrophobicContact CB-CE1 4.27Å; V231-F255 HydrophobicContact CB-CZ 4.44Å; V231-F255 HydrophobicContact CG1-CD1 3.56Å; V231-F255 HydrophobicContact CG1-CE1 3.56Å; V231-F255 HydrophobicContact CG1-CG 4.18Å; V231-F255 HydrophobicContact CG1-CZ 4.2Å
232E77.7Confident84.9Confident99 Ų9964.7 Ų64.746%0.46338%0.377SS..Hα-helixtrans-57.7-32.9177.5-165.6167.3148.200113.4P228 F255 R256P228-E232 PolarHBondContact O-N 2.84Å; E232-F255 HydrophobicContact CB-CE2 4.36Å; E232-F255 HydrophobicContact CB-CZ 3.8Å; E232-F255 HydrophobicContact CG-CZ 4.25Å; E232-R256 IonicContact OE1-CZ 2.66Å; E232-R256 IonicContact OE1-NH2 3.38Å; E232-R256 PolarHBondContact OE1-NH2 3.33Å; E232-R256 IonicContact OE2-CZ 2.72Å; E232-R256 IonicContact OE2-NE 3.93Å; E232-R256 PolarHBondContact OE2-NE 3.2Å; E232-R256 IonicContact OE2-NH2 3.39Å; E232-R256 PolarHBondContact OE2-NH2 3.35Å
233A71.6Confident84.5Confident88 Ų8869 Ų6973%0.72740%0.404SS*.THydrogen-bonded Turntrans-78.9-15.3178.100000114.2K230 V231K230-A233 PolarHBondContact O-N 3.15Å; V231-A233 PolarHBondContact O-N 3.4Å
234M70.9Confident84.1Confident145 Ų14573.1 Ų73.171%0.71443%0.428SS*.THydrogen-bonded Turntrans-123.4-24-167.4-65.7-175.470.600114.6K230 V231K230-M234 HydrophobicContact CG-SD 4.1Å; K230-M234 WeakPolarHBondContact O-CG 3.5Å; V231-M234 PolarHBondContact O-N 3.22Å
235E70Confident83.8Confident71 Ų7176 Ų7633%0.33246%0.459SS..PPolyproline II helixtrans-86.4133.5-165.5-154.9179.2-172.900113.4F223 V231 R254 F255F223-E235 WeakPolarHBondContact CE1-OE1 3.22Å; F223-E235 WeakPolarHBondContact CZ-OE1 3.34Å; F223-E235 VanDerWaalsContact CZ-OE2 3.29Å; F223-E235 WeakPolarHBondContact CZ-OE2 3.47Å; V231-E235 HydrophobicContact CG1-CB 3.87Å; V231-E235 HydrophobicContact CG1-CG 4.34Å; V231-E235 WeakPolarHBondContact CG1-OE2 3.31Å; V231-E235 WeakPolarHBondContact O-CB 3.18Å; V231-E235 PolarHBondContact O-N 3.47Å; E235-R254 IonicContact OE1-CZ 2.77Å; E235-R254 IonicContact OE1-NH1 3.66Å; E235-R254 PolarHBondContact OE1-NH1 2.94Å; E235-R254 IonicContact OE1-NH2 2.86Å; E235-F255 WeakPolarHBondContact OE2-CD1 3.1Å
236A68.9Low83.8Confident77 Ų7777.9 Ų77.964%0.63647%0.472SS*.PPolyproline II helixtrans-78.1159.1173.900000112
237L83.6Confident84Confident114 Ų11477.5 Ų77.560%0.59747%0.474SS*.PPolyproline II helixtrans-58136.1169.3-63.6169.8000109.7E249L237-E249 HydrophobicContact CB-CB 4.24Å; L237-E249 WeakPolarHBondContact CB-OE2 3.41Å; L237-E249 HydrophobicContact CD1-CB 4.28Å
238A86.9Confident84.3Confident27 Ų2774.8 Ų74.822%0.22346%0.459CS..EExtended strand (participates in β ladder)trans-103.5126.2172.500000110.3I250A238-I250 PolarHBondContact N-O 3.5Å; A238-I250 PolarHBondContact O-N 3.39Å
239S91.8Very high84.9Confident77 Ų7777 Ų7754%0.53847%0.467SS..EExtended strand (participates in β ladder)trans-76.4126.1178.1-148.10000111.1T247 E249S239-T247 WeakPolarHBondContact OG-CG2 3.32Å; S239-E249 WeakPolarHBondContact CA-OE1 3.23Å; S239-E249 WeakPolarHBondContact CB-OE1 3.38Å; S239-E249 PolarHBondContact N-OE2 3.1Å; S239-E249 PolarHBondContact OG-OE1 3.21Å
240Y94Very high85.5Confident18 Ų1872.6 Ų72.67%0.07144%0.436CS..EExtended strand (participates in β ladder)trans-126122.1179.6-173.7-87000111.4I217 R220 A221 L242 T247 L248 I250I217-Y240 HydrophobicContact CD1-CD1 4.23Å; I217-Y240 HydrophobicContact CD1-CE1 4.24Å; I217-Y240 HydrophobicContact CG1-CD1 3.7Å; I217-Y240 HydrophobicContact CG1-CD2 4.36Å; I217-Y240 HydrophobicContact CG1-CE1 3.46Å; I217-Y240 VanDerWaalsContact CG1-CE1 3.46Å; I217-Y240 HydrophobicContact CG1-CE2 4.15Å; I217-Y240 HydrophobicContact CG1-CG 4.16Å; R220-Y240 HydrophobicContact CB-CE2 4.07Å; A221-Y240 HydrophobicContact CB-CD2 4.47Å; Y240-L242 HydrophobicContact CD1-CD2 4.08Å; Y240-L242 HydrophobicContact CE1-CD2 4.27Å; Y240-T247 WeakPolarHBondContact O-CA 3.36Å; Y240-L248 PolarHBondContact N-O 3.29Å; Y240-L248 PolarHBondContact O-N 2.94Å; Y240-I250 HydrophobicContact CG-CD1 4.16Å
241P95.1Very high85.9Confident93 Ų9366.6 Ų66.660%0.60441%0.411SS*.EExtended strand (participates in β ladder)trans-74.8130.2179.430.1-33.8000111.3
242L93.2Very high86.5Confident28 Ų2867 Ų6715%0.14741%0.414CS..  trans-93.9157175.9-66.9179.8000111.5F205 I213 I217 Y240 D244 G245 S246 L248F205-L242 HydrophobicContact CZ-CD2 4.3Å; I213-L242 HydrophobicContact CG2-CD2 3.9Å; I217-L242 HydrophobicContact CD1-CD2 4.42Å; Y240-L242 HydrophobicContact CD1-CD2 4.08Å; Y240-L242 HydrophobicContact CE1-CD2 4.27Å; L242-D244 VanDerWaalsContact CB-OD1 3.24Å; L242-D244 WeakPolarHBondContact CB-OD1 3.47Å; L242-D244 PolarHBondContact O-N 3.48Å; L242-D244 VanDerWaalsContact O-N 3.17Å; L242-G245 PolarHBondContact O-N 3.44Å; L242-S246 WeakPolarHBondContact CD1-OG 3.49Å; L242-S246 PolarHBondContact N-O 2.91Å; L242-L248 HydrophobicContact CD1-CB 4Å; L242-L248 HydrophobicContact CD2-CB 4.34Å; L242-L248 HydrophobicContact CG-CB 4.07Å
243P88Confident87.2Confident100 Ų10062.3 Ų62.365%0.64939%0.392SS*.THydrogen-bonded Turntrans-62-21.5-178.3-24.835.5000115.1I213 G245I213-P243 HydrophobicContact CD1-CG 4.02Å; I213-P243 HydrophobicContact CG1-CG 4.33Å; P243-G245 PolarHBondContact O-N 3.09Å
244D88.3Confident88.3Confident122 Ų12260 Ų6065%0.65237%0.365SS*.THydrogen-bonded Turntrans-81.40.8176.164.5-3.6000113.1L242 S246L242-D244 VanDerWaalsContact CB-OD1 3.24Å; L242-D244 WeakPolarHBondContact CB-OD1 3.47Å; L242-D244 PolarHBondContact O-N 3.48Å; L242-D244 VanDerWaalsContact O-N 3.17Å; D244-S246 VanDerWaalsContact C-N 3.28Å; D244-S246 VanDerWaalsContact CG-OG 3.29Å; D244-S246 VanDerWaalsContact OD1-CB 3.32Å; D244-S246 WeakPolarHBondContact OD1-CB 3.47Å; D244-S246 PolarHBondContact OD1-N 3.27Å; D244-S246 PolarHBondContact OD1-OG 2.89Å; D244-S246 PolarHBondContact OD2-OG 3.2Å
245G90.2Very high89.4Confident66 Ų6653.1 Ų53.168%0.6833%0.331SS*.SBendtrans85.8-7-177.700000114.1L242 P243L242-G245 PolarHBondContact O-N 3.44Å; P243-G245 PolarHBondContact O-N 3.09Å
246S93.1Very high90.6Very high49 Ų4954 Ų5434%0.34333%0.331SS..  trans-74.1168172.474.70000111.1L242 D244L242-S246 WeakPolarHBondContact CD1-OG 3.49Å; L242-S246 PolarHBondContact N-O 2.91Å; D244-S246 VanDerWaalsContact C-N 3.28Å; D244-S246 VanDerWaalsContact CG-OG 3.29Å; D244-S246 VanDerWaalsContact OD1-CB 3.32Å; D244-S246 WeakPolarHBondContact OD1-CB 3.47Å; D244-S246 PolarHBondContact OD1-N 3.27Å; D244-S246 PolarHBondContact OD1-OG 2.89Å; D244-S246 PolarHBondContact OD2-OG 3.2Å
247T93.8Very high92Very high85 Ų8550.4 Ų50.452%0.52130%0.301SS..EExtended strand (participates in β ladder)trans-123.9129.8-179.7-59.50000109.8S239 Y240S239-T247 WeakPolarHBondContact OG-CG2 3.32Å; Y240-T247 WeakPolarHBondContact O-CA 3.36Å
248L94.3Very high92.6Very high22 Ų2245 Ų4512%0.11527%0.273CS..EExtended strand (participates in β ladder)trans-102.1122.6178.5178.466000109.5L198 A203 F205 I217 Y240 L242 I250L198-L248 HydrophobicContact CD2-CD2 4.15Å; A203-L248 HydrophobicContact CB-CD1 3.51Å; F205-L248 HydrophobicContact CE2-CD2 4.14Å; F205-L248 HydrophobicContact CZ-CD2 4.1Å; I217-L248 HydrophobicContact CD1-CD2 3.85Å; Y240-L248 PolarHBondContact N-O 3.29Å; Y240-L248 PolarHBondContact O-N 2.94Å; L242-L248 HydrophobicContact CD1-CB 4Å; L242-L248 HydrophobicContact CD2-CB 4.34Å; L242-L248 HydrophobicContact CG-CB 4.07Å; L248-I250 HydrophobicContact CD2-CD1 4.17Å; L248-I250 HydrophobicContact CD2-CG1 3.89Å; L248-I250 HydrophobicContact CG-CG1 3.83Å
249E93Very high93.1Very high82 Ų8244.4 Ų44.438%0.38327%0.266SS..EExtended strand (participates in β ladder)trans-85.1120.8170.6-67.1-56.8138.700109.7L237 S239L237-E249 HydrophobicContact CB-CB 4.24Å; L237-E249 WeakPolarHBondContact CB-OE2 3.41Å; L237-E249 HydrophobicContact CD1-CB 4.28Å; S239-E249 WeakPolarHBondContact CA-OE1 3.23Å; S239-E249 WeakPolarHBondContact CB-OE1 3.38Å; S239-E249 PolarHBondContact N-OE2 3.1Å; S239-E249 PolarHBondContact OG-OE1 3.21Å
250I92Very high93.3Very high0 Ų040.9 Ų40.90%024%0.241CC..EExtended strand (participates in β ladder)trans-116.3119.2-176.8-46.1168000109.1L198 I217 A221 A238 Y240 L248 A253 R254L198-I250 HydrophobicContact CD2-CG1 4.28Å; L198-I250 HydrophobicContact CD2-CG2 3.88Å; I217-I250 HydrophobicContact CB-CD1 4.49Å; I217-I250 HydrophobicContact CG1-CD1 4.44Å; I217-I250 HydrophobicContact CG2-CD1 3.29Å; A221-I250 HydrophobicContact CB-CD1 4.43Å; A238-I250 PolarHBondContact N-O 3.5Å; A238-I250 PolarHBondContact O-N 3.39Å; Y240-I250 HydrophobicContact CG-CD1 4.16Å; L248-I250 HydrophobicContact CD2-CD1 4.17Å; L248-I250 HydrophobicContact CD2-CG1 3.89Å; L248-I250 HydrophobicContact CG-CG1 3.83Å; I250-A253 HydrophobicContact CG2-CB 4.1Å; I250-R254 HydrophobicContact CB-CG 4.11Å; I250-R254 HydrophobicContact CG2-CG 3.58Å; I250-R254 WeakPolarHBondContact O-CD 3.46Å
251G88.5Confident93.5Very high5 Ų540 Ų405%0.05224%0.237CC..  trans-97.8-127.5-178.100000113.1A253 R254G251-A253 PolarHBondContact O-N 3.47Å; G251-R254 PolarHBondContact O-N 2.6Å
252P91.2Very high93.6Very high39 Ų3935.7 Ų35.725%0.25321%0.209SC..THydrogen-bonded Turntrans-57.2-20.8-176.1-27.936.4000115.5R254 F255 R256P252-R254 PolarHBondContact O-N 3.16Å; P252-F255 VanDerWaalsContact CA-CE1 3.49Å; P252-F255 HydrophobicContact CB-CE1 3.91Å; P252-F255 HydrophobicContact CB-CZ 3.74Å; P252-F255 PolarHBondContact O-N 2.95Å; P252-R256 HydrophobicContact CB-CG 4.34Å; P252-R256 WeakPolarHBondContact O-CB 3.18Å; P252-R256 VanDerWaalsContact O-CG 3.3Å; P252-R256 WeakPolarHBondContact O-CG 3.42Å; P252-R256 PolarHBondContact O-N 2.84Å
253A93.8Very high93.8Very high0 Ų040.1 Ų40.10%022%0.224CC..Hα-helixtrans-51.8-29.5175.700000113.4L194 L197 I250 G251 F255 A257L194-A253 HydrophobicContact CD1-CB 3.84Å; L197-A253 HydrophobicContact CB-CB 3.76Å; L197-A253 HydrophobicContact CD1-CB 4.2Å; I250-A253 HydrophobicContact CG2-CB 4.1Å; G251-A253 PolarHBondContact O-N 3.47Å; A253-F255 VanDerWaalsContact C-N 3.35Å; A253-F255 PolarHBondContact O-N 3.44Å; A253-A257 WeakPolarHBondContact O-CB 3.36Å; A253-A257 PolarHBondContact O-N 3.42Å
254R94.3Very high94.2Very high39 Ų3935.5 Ų35.515%0.14719%0.194CC..Hα-helixtrans-60.6-36.4-179.7-68.5170.661.1-133.9-8.2114.3A221 C222 F223 E235 I250 G251 P252 P258A221-R254 HydrophobicContact CB-CG 4.43Å; A221-R254 PolarHBondContact O-NE 3.33Å; A221-R254 PolarHBondContact O-NH2 3.24Å; C222-R254 CarbonylContact C-O 3.48Å; C222-R254 WeakPolarHBondContact CA-O 3.5Å; C222-R254 WeakPolarHBondContact CB-O 3.25Å; F223-R254 HydrophobicContact CD1-CB 4.4Å; F223-R254 HydrophobicContact CE1-CB 4.09Å; F223-R254 PolarHBondContact N-O 3.24Å; E235-R254 IonicContact OE1-CZ 2.77Å; E235-R254 IonicContact OE1-NH1 3.66Å; E235-R254 PolarHBondContact OE1-NH1 2.94Å; E235-R254 IonicContact OE1-NH2 2.86Å; I250-R254 HydrophobicContact CB-CG 4.11Å; I250-R254 HydrophobicContact CG2-CG 3.58Å; I250-R254 WeakPolarHBondContact O-CD 3.46Å; G251-R254 PolarHBondContact O-N 2.6Å; P252-R254 PolarHBondContact O-N 3.16Å; R254-P258 WeakPolarHBondContact O-CD 3.41Å
255F94.3Very high94.5Very high2 Ų233.5 Ų33.51%0.00918%0.183CC..Hα-helixtrans-107.4-22.7177.364.1-97000112.8F223 P228 V231 E232 E235 P252 A253 E259F223-F255 HydrophobicContact CD2-CB 4.41Å; F223-F255 HydrophobicContact CE1-CB 4.41Å; F223-F255 HydrophobicContact CE2-CB 3.94Å; F223-F255 HydrophobicContact CZ-CB 3.95Å; F223-F255 HydrophobicContact CZ-CD1 4.18Å; F223-F255 WeakPolarHBondContact O-CA 3.48Å; P228-F255 HydrophobicContact CB-CD2 4.17Å; P228-F255 HydrophobicContact CB-CE2 4.23Å; V231-F255 HydrophobicContact CB-CD1 4.42Å; V231-F255 HydrophobicContact CB-CE1 4.27Å; V231-F255 HydrophobicContact CB-CZ 4.44Å; V231-F255 HydrophobicContact CG1-CD1 3.56Å; V231-F255 HydrophobicContact CG1-CE1 3.56Å; V231-F255 HydrophobicContact CG1-CG 4.18Å; V231-F255 HydrophobicContact CG1-CZ 4.2Å; E232-F255 HydrophobicContact CB-CE2 4.36Å; E232-F255 HydrophobicContact CB-CZ 3.8Å; E232-F255 HydrophobicContact CG-CZ 4.25Å; E235-F255 WeakPolarHBondContact OE2-CD1 3.1Å; P252-F255 VanDerWaalsContact CA-CE1 3.49Å; P252-F255 HydrophobicContact CB-CE1 3.91Å; P252-F255 HydrophobicContact CB-CZ 3.74Å; P252-F255 PolarHBondContact O-N 2.95Å; A253-F255 VanDerWaalsContact C-N 3.35Å; A253-F255 PolarHBondContact O-N 3.44Å; F255-E259 PolarHBondContact O-N 2.79Å
256R94.8Very high94.6Very high90 Ų9034.3 Ų34.334%0.3417%0.172SC..Hα-helixtrans-69.9-37.8175.3-73177177.9172.2-7.2112.7F193 L197 E232 P252 E259F193-R256 WeakPolarHBondContact CE1-O 3.33Å; L197-R256 HydrophobicContact CD1-CB 3.72Å; E232-R256 IonicContact OE1-CZ 2.66Å; E232-R256 IonicContact OE1-NH2 3.38Å; E232-R256 PolarHBondContact OE1-NH2 3.33Å; E232-R256 IonicContact OE2-CZ 2.72Å; E232-R256 IonicContact OE2-NE 3.93Å; E232-R256 PolarHBondContact OE2-NE 3.2Å; E232-R256 IonicContact OE2-NH2 3.39Å; E232-R256 PolarHBondContact OE2-NH2 3.35Å; P252-R256 HydrophobicContact CB-CG 4.34Å; P252-R256 WeakPolarHBondContact O-CB 3.18Å; P252-R256 VanDerWaalsContact O-CG 3.3Å; P252-R256 WeakPolarHBondContact O-CG 3.42Å; P252-R256 PolarHBondContact O-N 2.84Å; R256-E259 WeakPolarHBondContact O-CB 3.43Å; R256-E259 PolarHBondContact O-N 2.76Å
257A96.8Very high94.5Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-66.8-49.8-178.400000112.9V190 F193 L194 L197 A253 E259 L260V190-A257 HydrophobicContact CG1-CB 4.14Å; F193-A257 HydrophobicContact CD1-CB 4.38Å; L194-A257 HydrophobicContact CB-CB 3.71Å; L194-A257 HydrophobicContact CD1-CB 3.99Å; L194-A257 HydrophobicContact CG-CB 4.4Å; L197-A257 HydrophobicContact CD1-CB 4.16Å; A253-A257 WeakPolarHBondContact O-CB 3.36Å; A253-A257 PolarHBondContact O-N 3.42Å; A257-E259 PolarHBondContact O-N 3.07Å; A257-L260 VanDerWaalsContact O-CB 3.22Å; A257-L260 WeakPolarHBondContact O-CB 3.44Å; A257-L260 PolarHBondContact O-N 3.06Å
258P97.5Very high94.4Very high0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-67-22.6177.5-22.235.7000114.1V190 C222 I224 R254 L260 L261 F306V190-P258 HydrophobicContact CG1-CG 4.38Å; C222-P258 HydrophobicContact CB-CG 3.66Å; I224-P258 HydrophobicContact CG1-CB 3.71Å; R254-P258 WeakPolarHBondContact O-CD 3.41Å; P258-L260 PolarHBondContact O-N 3.32Å; P258-L260 VanDerWaalsContact O-N 3.1Å; P258-L261 WeakPolarHBondContact O-CB 3.48Å; P258-L261 PolarHBondContact O-N 3.01Å; P258-F306 HydrophobicContact CB-CD1 4.4Å; P258-F306 HydrophobicContact CB-CD2 4.12Å; P258-F306 HydrophobicContact CB-CE1 4.3Å; P258-F306 HydrophobicContact CB-CE2 4.03Å; P258-F306 HydrophobicContact CB-CG 4.32Å; P258-F306 HydrophobicContact CB-CZ 4.12Å; P258-F306 HydrophobicContact CG-CD1 4.13Å; P258-F306 HydrophobicContact CG-CE1 3.8Å; P258-F306 HydrophobicContact CG-CE2 4.34Å; P258-F306 HydrophobicContact CG-CZ 3.91Å
259E96.3Very high94.2Very high16 Ų1637.2 Ų37.28%0.07519%0.192CC..Hα-helixtrans-55.5-27174.9-173.559.9-157.900111.9F255 R256 A257 L261 F262 R263 L266 R312F255-E259 PolarHBondContact O-N 2.79Å; R256-E259 WeakPolarHBondContact O-CB 3.43Å; R256-E259 PolarHBondContact O-N 2.76Å; A257-E259 PolarHBondContact O-N 3.07Å; E259-L261 PolarHBondContact O-N 2.8Å; E259-L261 VanDerWaalsContact O-N 3.11Å; E259-F262 CarbonylContact O-C 3.47Å; E259-F262 PolarHBondContact O-N 2.85Å; E259-R263 HydrophobicContact CG-CB 4.28Å; E259-R263 HydrophobicContact CG-CG 4.27Å; E259-R263 PolarHBondContact O-N 2.63Å; E259-R263 WeakPolarHBondContact OE1-CG 3.38Å; E259-L266 HydrophobicContact CB-CD1 4.11Å; E259-L266 HydrophobicContact CG-CD1 3.71Å; E259-R312 VanDerWaalsContact CD-NH1 3.33Å; E259-R312 IonicContact OE1-CZ 2.73Å; E259-R312 IonicContact OE1-NH1 3.66Å; E259-R312 PolarHBondContact OE1-NH1 2.93Å; E259-R312 VanDerWaalsContact OE1-NH1 3.16Å; E259-R312 IonicContact OE1-NH2 2.8Å; E259-R312 PolarHBondContact OE1-NH2 2.98Å; E259-R312 IonicContact OE2-CZ 3.85Å; E259-R312 IonicContact OE2-NH1 3.06Å; E259-R312 PolarHBondContact OE2-NH1 3.19Å; E259-R312 IonicContact OE2-NH2 3.36Å
260L97.1Very high94.2Very high2 Ų242.9 Ų42.91%0.0122%0.218CC..THydrogen-bonded Turntrans-51.1-35.1174.8-176.765.7000113.1L185 D189 F193 A257 P258 F262 R263 M267L185-L260 HydrophobicContact CD1-CD1 4.28Å; L185-L260 HydrophobicContact CD1-CD2 4.28Å; L185-L260 HydrophobicContact CD1-CG 4.07Å; L185-L260 HydrophobicContact CD2-CG 4.49Å; L185-L260 WeakPolarHBondContact CD2-O 3.38Å; D189-L260 HydrophobicContact CB-CD2 4.02Å; F193-L260 HydrophobicContact CB-CD2 4.01Å; F193-L260 HydrophobicContact CD1-CB 4.02Å; F193-L260 HydrophobicContact CD1-CD2 4.27Å; F193-L260 HydrophobicContact CG-CD2 4.44Å; A257-L260 VanDerWaalsContact O-CB 3.22Å; A257-L260 WeakPolarHBondContact O-CB 3.44Å; A257-L260 PolarHBondContact O-N 3.06Å; P258-L260 PolarHBondContact O-N 3.32Å; P258-L260 VanDerWaalsContact O-N 3.1Å; L260-F262 PolarHBondContact O-N 3.07Å; L260-R263 CarbonylContact O-C 3.59Å; L260-R263 VanDerWaalsContact O-C 3.31Å; L260-R263 PolarHBondContact O-N 3.09Å; L260-M267 HydrophobicContact CD1-CB 3.67Å; L260-M267 HydrophobicContact CD1-CG 3.64Å; L260-M267 HydrophobicContact CD2-CG 4.21Å
261L98Very high94.3Very high1 Ų147.4 Ų47.41%0.00524%0.236CC..THydrogen-bonded Turntrans-64.1-27.6178.3-63.1176.3000112.7L185 V190 P258 E259 I274 F306L185-L261 HydrophobicContact CD2-CD2 4.31Å; V190-L261 HydrophobicContact CG2-CD1 4.28Å; V190-L261 HydrophobicContact CG2-CD2 3.81Å; V190-L261 HydrophobicContact CG2-CG 3.77Å; P258-L261 WeakPolarHBondContact O-CB 3.48Å; P258-L261 PolarHBondContact O-N 3.01Å; E259-L261 PolarHBondContact O-N 2.8Å; E259-L261 VanDerWaalsContact O-N 3.11Å; L261-I274 WeakPolarHBondContact O-CB 3.45Å; L261-I274 WeakPolarHBondContact O-CG2 3.36Å; L261-I274 PolarHBondContact O-N 3.46Å; L261-F306 HydrophobicContact CD1-CD2 4.19Å; L261-F306 HydrophobicContact CD1-CE2 4.09Å
262F97.6Very high94.6Very high2 Ų252 Ų521%0.00926%0.255CS..THydrogen-bonded Turntrans-100.1-26.4177.9-69.9-95.7000112.2I224 E259 L260 I274 H275 F309 R312 L313 E316I224-F262 HydrophobicContact CD1-CD2 4.49Å; I224-F262 HydrophobicContact CD1-CE2 3.74Å; I224-F262 HydrophobicContact CG2-CE2 4.3Å; E259-F262 CarbonylContact O-C 3.47Å; E259-F262 PolarHBondContact O-N 2.85Å; L260-F262 PolarHBondContact O-N 3.07Å; F262-I274 HydrophobicContact CD1-CG2 3.93Å; F262-I274 HydrophobicContact CD2-CG2 4.13Å; F262-I274 HydrophobicContact CE1-CG2 3.65Å; F262-I274 HydrophobicContact CE2-CG2 3.84Å; F262-I274 HydrophobicContact CG-CG2 4.15Å; F262-I274 HydrophobicContact CZ-CG2 3.61Å; F262-H275 HydrophobicContact CD1-CB 4.36Å; F262-H275 AromaticContact CD1-ND1 3.46Å; F262-H275 WeakPolarHBondContact CD1-ND1 3.33Å; F262-H275 HydrophobicContact CE1-CB 4.29Å; F262-H275 PolarHBondContact O-CE1 2.82Å; F262-F309 HydrophobicContact CE2-CD2 4.34Å; F262-F309 HydrophobicContact CE2-CE2 4.3Å; F262-F309 HydrophobicContact CZ-CE2 4.36Å; F262-R312 HydrophobicContact CD1-CG 3.81Å; F262-R312 HydrophobicContact CD2-CG 4.26Å; F262-R312 HydrophobicContact CE1-CB 4.34Å; F262-R312 HydrophobicContact CE1-CG 3.56Å; F262-R312 HydrophobicContact CE2-CG 4.05Å; F262-R312 HydrophobicContact CG-CG 4.16Å; F262-R312 HydrophobicContact CZ-CB 4.13Å; F262-R312 HydrophobicContact CZ-CG 3.68Å; F262-L313 HydrophobicContact CE1-CD1 4.44Å; F262-L313 HydrophobicContact CZ-CB 4.47Å; F262-E316 HydrophobicContact CD1-CG 4.06Å; F262-E316 HydrophobicContact CE1-CG 4.35Å
263R96.2Very high94.9Very high120 Ų12050.1 Ų50.145%0.45324%0.243SC..  trans-131.375.5-177.8-65.9-64.7-58.7-112.8-6.3111.1E259 L260 D265 L266E259-R263 HydrophobicContact CG-CB 4.28Å; E259-R263 HydrophobicContact CG-CG 4.27Å; E259-R263 PolarHBondContact O-N 2.63Å; E259-R263 WeakPolarHBondContact OE1-CG 3.38Å; L260-R263 CarbonylContact O-C 3.59Å; L260-R263 VanDerWaalsContact O-C 3.31Å; L260-R263 PolarHBondContact O-N 3.09Å; R263-D265 VanDerWaalsContact C-OD1 3.26Å; R263-D265 VanDerWaalsContact CA-OD1 3.3Å; R263-D265 WeakPolarHBondContact CA-OD1 3.49Å; R263-D265 WeakPolarHBondContact CB-OD1 3.13Å; R263-D265 IonicContact CZ-OD1 2.88Å; R263-D265 IonicContact CZ-OD2 3.41Å; R263-D265 IonicContact NE-OD1 3.57Å; R263-D265 PolarHBondContact NE-OD1 2.98Å; R263-D265 IonicContact NE-OD2 3.7Å; R263-D265 PolarHBondContact NE-OD2 3.2Å; R263-D265 IonicContact NH2-OD1 2.93Å; R263-D265 IonicContact NH2-OD2 3.72Å; R263-D265 PolarHBondContact NH2-OD2 2.98Å; R263-D265 PolarHBondContact O-N 2.83Å; R263-L266 HydrophobicContact CB-CD1 3.8Å; R263-L266 HydrophobicContact CB-CG 3.86Å; R263-L266 WeakPolarHBondContact O-CB 3.25Å; R263-L266 WeakPolarHBondContact O-CG 3.36Å; R263-L266 PolarHBondContact O-N 3.41Å
264P96.5Very high95.1Very high4 Ų450.3 Ų50.33%0.02624%0.243CC..G310 helixtrans-60.5-25179.6-26.239.1000113.4L185 L266 M267 Q269 Y271L185-P264 HydrophobicContact CD1-CB 4.19Å; L185-P264 HydrophobicContact CD2-CB 4.33Å; L185-P264 HydrophobicContact CD2-CG 3.92Å; P264-L266 PolarHBondContact O-N 3.02Å; P264-L266 VanDerWaalsContact O-N 3.13Å; P264-M267 PolarHBondContact O-N 2.82Å; P264-M267 VanDerWaalsContact O-N 3.07Å; P264-Q269 CarbonylContact C-O 3.59Å; P264-Q269 HydrophobicContact CB-CB 3.96Å; P264-Q269 WeakPolarHBondContact O-CB 3.44Å; P264-Q269 PolarHBondContact O-N 2.8Å; P264-Y271 WeakPolarHBondContact CB-O 3.16Å; P264-Y271 WeakPolarHBondContact CG-O 3.24Å
265D95.2Very high95.2Very high79 Ų7949.2 Ų49.242%0.42224%0.24SC..G310 helixtrans-58.4-23.317759.6-64.3000113.5R263 M267 G268 Q269R263-D265 VanDerWaalsContact C-OD1 3.26Å; R263-D265 VanDerWaalsContact CA-OD1 3.3Å; R263-D265 WeakPolarHBondContact CA-OD1 3.49Å; R263-D265 WeakPolarHBondContact CB-OD1 3.13Å; R263-D265 IonicContact CZ-OD1 2.88Å; R263-D265 IonicContact CZ-OD2 3.41Å; R263-D265 IonicContact NE-OD1 3.57Å; R263-D265 PolarHBondContact NE-OD1 2.98Å; R263-D265 IonicContact NE-OD2 3.7Å; R263-D265 PolarHBondContact NE-OD2 3.2Å; R263-D265 IonicContact NH2-OD1 2.93Å; R263-D265 IonicContact NH2-OD2 3.72Å; R263-D265 PolarHBondContact NH2-OD2 2.98Å; R263-D265 PolarHBondContact O-N 2.83Å; D265-M267 PolarHBondContact O-N 3.33Å; D265-M267 VanDerWaalsContact O-N 3.15Å; D265-G268 PolarHBondContact O-N 2.8Å; D265-Q269 PolarHBondContact N-O 3.41Å
266L92.3Very high95.4Very high84 Ų8452.6 Ų52.644%0.4426%0.256SS..G310 helixtrans-61.7-21.8175.2-64.5177.1000113.7F193 E259 R263 P264F193-L266 HydrophobicContact CE1-CB 4.47Å; F193-L266 HydrophobicContact CZ-CB 4.4Å; E259-L266 HydrophobicContact CB-CD1 4.11Å; E259-L266 HydrophobicContact CG-CD1 3.71Å; R263-L266 HydrophobicContact CB-CD1 3.8Å; R263-L266 HydrophobicContact CB-CG 3.86Å; R263-L266 WeakPolarHBondContact O-CB 3.25Å; R263-L266 WeakPolarHBondContact O-CG 3.36Å; R263-L266 PolarHBondContact O-N 3.41Å; P264-L266 PolarHBondContact O-N 3.02Å; P264-L266 VanDerWaalsContact O-N 3.13Å
267M90.9Very high95.6Very high71 Ų7148.4 Ų48.435%0.3524%0.24SC..G310 helixtrans-11217.3174.3-82.1-71.9-65.400112.3F193 L196 L260 P264 D265 Q269F193-M267 HydrophobicContact CB-CG 4.23Å; F193-M267 HydrophobicContact CB-SD 4.29Å; F193-M267 HydrophobicContact CD1-CG 4.32Å; F193-M267 HydrophobicContact CD2-CG 3.7Å; F193-M267 HydrophobicContact CD2-SD 3.3Å; F193-M267 WeakPolarHBondContact CD2-SD 3.37Å; F193-M267 HydrophobicContact CE2-CG 4.06Å; F193-M267 HydrophobicContact CE2-SD 3.78Å; F193-M267 HydrophobicContact CG-CG 3.84Å; F193-M267 HydrophobicContact CG-SD 3.97Å; L196-M267 HydrophobicContact CD2-SD 4.15Å; L260-M267 HydrophobicContact CD1-CB 3.67Å; L260-M267 HydrophobicContact CD1-CG 3.64Å; L260-M267 HydrophobicContact CD2-CG 4.21Å; P264-M267 PolarHBondContact O-N 2.82Å; P264-M267 VanDerWaalsContact O-N 3.07Å; D265-M267 PolarHBondContact O-N 3.33Å; D265-M267 VanDerWaalsContact O-N 3.15Å; M267-Q269 HydrophobicContact CB-CG 4.16Å; M267-Q269 PolarHBondContact O-N 2.9Å
268G91.1Very high95.6Very high66 Ų6648.4 Ų48.468%0.6824%0.24SC*.THydrogen-bonded Turntrans64.224.1-176.600000113.3D265D265-G268 PolarHBondContact O-N 2.8Å
269Q90.8Very high95.7Very high79 Ų7948.9 Ų48.937%0.36924%0.244SC..  trans-90.2139.7176.4-58.2-62.8-44.600110L185 P264 D265 M267 Y271L185-Q269 HydrophobicContact CD1-CB 4.5Å; L185-Q269 HydrophobicContact CD1-CG 4.26Å; P264-Q269 CarbonylContact C-O 3.59Å; P264-Q269 HydrophobicContact CB-CB 3.96Å; P264-Q269 WeakPolarHBondContact O-CB 3.44Å; P264-Q269 PolarHBondContact O-N 2.8Å; D265-Q269 PolarHBondContact N-O 3.41Å; M267-Q269 HydrophobicContact CB-CG 4.16Å; M267-Q269 PolarHBondContact O-N 2.9Å; Q269-Y271 VanDerWaalsContact C-N 3.32Å; Q269-Y271 HydrophobicContact CB-CD2 3.96Å; Q269-Y271 HydrophobicContact CG-CD2 4.49Å
270E93.1Very high95.7Very high201 Ų20153 Ų5394%0.93926%0.26SS*.  trans-93.311.4178.8-61-175.3159.100112.9
271Y93.4Very high95.8Very high95 Ų9553 Ų5337%0.37326%0.259SS..PPolyproline II helixtrans-65.3151.1173.8-67-63.6000111.4T183 L185 P264 Q269T183-Y271 HydrophobicContact CG2-CD1 4.23Å; L185-Y271 HydrophobicContact CB-CD2 3.99Å; L185-Y271 HydrophobicContact CB-CG 4.43Å; L185-Y271 HydrophobicContact CD1-CD2 4.27Å; P264-Y271 WeakPolarHBondContact CB-O 3.16Å; P264-Y271 WeakPolarHBondContact CG-O 3.24Å; Q269-Y271 VanDerWaalsContact C-N 3.32Å; Q269-Y271 HydrophobicContact CB-CD2 3.96Å; Q269-Y271 HydrophobicContact CG-CD2 4.49Å
272F95.2Very high95.8Very high102 Ų10252.9 Ų52.945%0.44726%0.259SS..PPolyproline II helixtrans-66.2144.1164.9-70.4-48000111.3Q276 V277F272-Q276 HydrophobicContact CB-CB 3.91Å; F272-Q276 HydrophobicContact CD1-CB 4.38Å; F272-Q276 HydrophobicContact CG-CB 4.29Å; F272-V277 HydrophobicContact CB-CG2 3.95Å
273G97.1Very high95.8Very high0 Ų057.3 Ų57.30%028%0.28CS..PPolyproline II helixtrans-64.3153.2167.800000110.8H275 Q276 V277G273-H275 PolarHBondContact O-N 3.4Å; G273-H275 VanDerWaalsContact O-N 3.07Å; G273-Q276 WeakPolarHBondContact O-CA 3.39Å; G273-Q276 WeakPolarHBondContact O-CB 3.48Å; G273-Q276 PolarHBondContact O-N 3.3Å; G273-V277 PolarHBondContact O-N 3.04Å
274I98Very high95.8Very high3 Ų355.3 Ų55.32%0.01527%0.274CS..Hα-helixtrans-55.8-33.5-173.2-168.5162.6000114.4L158 T165 L261 F262 V277 L278 F309L158-I274 HydrophobicContact CD1-CD1 4.13Å; L158-I274 HydrophobicContact CD1-CG1 3.74Å; L158-I274 HydrophobicContact CD2-CD1 4.12Å; L158-I274 HydrophobicContact CD2-CG1 3.88Å; L158-I274 HydrophobicContact CG-CD1 4.28Å; L158-I274 HydrophobicContact CG-CG1 4.22Å; T165-I274 HydrophobicContact CG2-CB 4.41Å; T165-I274 HydrophobicContact CG2-CD1 3.46Å; T165-I274 VanDerWaalsContact CG2-CD1 3.46Å; T165-I274 HydrophobicContact CG2-CG1 3.58Å; L261-I274 WeakPolarHBondContact O-CB 3.45Å; L261-I274 WeakPolarHBondContact O-CG2 3.36Å; L261-I274 PolarHBondContact O-N 3.46Å; F262-I274 HydrophobicContact CD1-CG2 3.93Å; F262-I274 HydrophobicContact CD2-CG2 4.13Å; F262-I274 HydrophobicContact CE1-CG2 3.65Å; F262-I274 HydrophobicContact CE2-CG2 3.84Å; F262-I274 HydrophobicContact CG-CG2 4.15Å; F262-I274 HydrophobicContact CZ-CG2 3.61Å; I274-V277 PolarHBondContact O-N 2.8Å; I274-L278 PolarHBondContact O-N 2.72Å; I274-L278 VanDerWaalsContact O-N 3.12Å; I274-F309 HydrophobicContact CD1-CE2 3.96Å; I274-F309 HydrophobicContact CD1-CZ 3.69Å
275H97.8Very high95.9Very high17 Ų1755.2 Ų55.28%0.07927%0.273CS..Hα-helixtrans-67.8-34.7175.659.7-74.6000112.5F262 G273 A279 L313 E316F262-H275 HydrophobicContact CD1-CB 4.36Å; F262-H275 AromaticContact CD1-ND1 3.46Å; F262-H275 WeakPolarHBondContact CD1-ND1 3.33Å; F262-H275 HydrophobicContact CE1-CB 4.29Å; F262-H275 PolarHBondContact O-CE1 2.82Å; G273-H275 PolarHBondContact O-N 3.4Å; G273-H275 VanDerWaalsContact O-N 3.07Å; H275-A279 WeakPolarHBondContact O-CB 3.38Å; H275-A279 PolarHBondContact O-N 3.07Å; H275-L313 HydrophobicContact CB-CD1 3.89Å; H275-E316 HydrophobicContact CB-CB 3.6Å; H275-E316 HydrophobicContact CB-CG 4.31Å
276Q97.9Very high95.9Very high73 Ų7355.7 Ų55.734%0.34128%0.276SS..Hα-helixtrans-73.8-41.2174.4-67.3169.1-46.600111F272 G273 L278 A279 Y280 L320F272-Q276 HydrophobicContact CB-CB 3.91Å; F272-Q276 HydrophobicContact CD1-CB 4.38Å; F272-Q276 HydrophobicContact CG-CB 4.29Å; G273-Q276 WeakPolarHBondContact O-CA 3.39Å; G273-Q276 WeakPolarHBondContact O-CB 3.48Å; G273-Q276 PolarHBondContact O-N 3.3Å; Q276-L278 VanDerWaalsContact C-N 3.28Å; Q276-L278 PolarHBondContact O-N 3.26Å; Q276-A279 PolarHBondContact O-N 3.09Å; Q276-Y280 WeakPolarHBondContact O-CB 3.33Å; Q276-Y280 PolarHBondContact O-N 3.32Å; Q276-L320 HydrophobicContact CG-CD1 3.94Å
277V98.2Very high96Very high1 Ų158.5 Ų58.51%0.00629%0.289CS..Hα-helixtrans-52.9-48.6173.7175.20000110.3A167 E181 T183 F272 G273 I274 A281A167-V277 HydrophobicContact CB-CG1 4.01Å; E181-V277 HydrophobicContact CB-CG1 3.71Å; T183-V277 HydrophobicContact CG2-CG2 3.47Å; T183-V277 VanDerWaalsContact CG2-CG2 3.47Å; F272-V277 HydrophobicContact CB-CG2 3.95Å; G273-V277 PolarHBondContact O-N 3.04Å; I274-V277 PolarHBondContact O-N 2.8Å; V277-A281 WeakPolarHBondContact O-CB 3.48Å; V277-A281 PolarHBondContact O-N 3.01Å
278L98.5Very high96.2Very high0 Ų062.3 Ų62.30%031%0.311CS..Hα-helixtrans-65.9-50.1177.5177.956.1000113V156 L158 A167 I274 Q276 Y280 A281 I282 I297 L313 L317V156-L278 HydrophobicContact CB-CD1 4.36Å; V156-L278 HydrophobicContact CG1-CD1 3.84Å; V156-L278 HydrophobicContact CG2-CD1 3.54Å; L158-L278 HydrophobicContact CB-CD1 4.44Å; L158-L278 HydrophobicContact CB-CD2 4.32Å; L158-L278 HydrophobicContact CD1-CB 4.34Å; L158-L278 HydrophobicContact CD2-CB 4.43Å; L158-L278 HydrophobicContact CD2-CD2 3.91Å; A167-L278 HydrophobicContact CB-CB 4.4Å; A167-L278 HydrophobicContact CB-CD1 4.13Å; I274-L278 PolarHBondContact O-N 2.72Å; I274-L278 VanDerWaalsContact O-N 3.12Å; Q276-L278 VanDerWaalsContact C-N 3.28Å; Q276-L278 PolarHBondContact O-N 3.26Å; L278-Y280 PolarHBondContact O-N 3.02Å; L278-A281 PolarHBondContact O-N 3.41Å; L278-I282 HydrophobicContact CD1-CD1 4.01Å; L278-I282 HydrophobicContact CD1-CG1 4.33Å; L278-I282 HydrophobicContact CG-CD1 4.23Å; L278-I282 WeakPolarHBondContact O-CG1 3.39Å; L278-I282 PolarHBondContact O-N 3.28Å; L278-I282 VanDerWaalsContact O-N 3.12Å; L278-I297 HydrophobicContact CD2-CD1 4.21Å; L278-I297 HydrophobicContact CD2-CG2 3.82Å; L278-L313 HydrophobicContact CD2-CD1 4.36Å; L278-L313 HydrophobicContact CD2-CD2 4.26Å; L278-L317 HydrophobicContact CD2-CD1 3.75Å; L278-L317 HydrophobicContact CD2-CD2 4.21Å; L278-L317 HydrophobicContact CG-CD2 4.28Å
279A97.9Very high96.4Very high10 Ų1060.1 Ų60.18%0.08328%0.283CS..Hα-helixtrans-60.2-37.9-179.700000111.8H275 Q276 I282 Q283 L317 L320H275-A279 WeakPolarHBondContact O-CB 3.38Å; H275-A279 PolarHBondContact O-N 3.07Å; Q276-A279 PolarHBondContact O-N 3.09Å; A279-I282 PolarHBondContact O-N 2.85Å; A279-Q283 WeakPolarHBondContact O-CB 3.4Å; A279-Q283 PolarHBondContact O-N 2.75Å; A279-L317 HydrophobicContact CB-CD2 4.14Å; A279-L320 HydrophobicContact CB-CB 4Å; A279-L320 HydrophobicContact CB-CD1 3.83Å
280Y97.7Very high96.7Very high104 Ų10459.2 Ų59.241%0.40828%0.276SS..Hα-helixtrans-73.6-38.5-179-167-135.1000112.6E181 Q276 L278 I282 Q283 K284E181-Y280 VanDerWaalsContact CD-CD1 3.49Å; E181-Y280 HydrophobicContact CG-CD1 4.03Å; Q276-Y280 WeakPolarHBondContact O-CB 3.33Å; Q276-Y280 PolarHBondContact O-N 3.32Å; L278-Y280 PolarHBondContact O-N 3.02Å; Y280-I282 VanDerWaalsContact C-N 3.32Å; Y280-I282 PolarHBondContact O-N 3.15Å; Y280-Q283 PolarHBondContact O-N 2.88Å; Y280-Q283 VanDerWaalsContact O-N 3.15Å; Y280-K284 HydrophobicContact CE1-CD 4.27Å; Y280-K284 HydrophobicContact CE2-CG 4.29Å; Y280-K284 PolarHBondContact O-N 3.32Å; Y280-K284 WeakPolarHBondContact OH-CE 3.39Å
281A98.4Very high96.8Very high0 Ų056.6 Ų56.60%026%0.258CS..Hα-helixtrans-58.2-44.1171.100000111.9A167 P169 A179 E181 V277 L278 K284 S285A167-A281 HydrophobicContact CB-CB 3.61Å; P169-A281 HydrophobicContact CG-CB 4.06Å; A179-A281 WeakPolarHBondContact O-CA 3.37Å; A179-A281 VanDerWaalsContact O-CB 3.29Å; A179-A281 WeakPolarHBondContact O-CB 3.36Å; E181-A281 HydrophobicContact CB-CB 4.11Å; E181-A281 HydrophobicContact CG-CB 3.82Å; V277-A281 WeakPolarHBondContact O-CB 3.48Å; V277-A281 PolarHBondContact O-N 3.01Å; L278-A281 PolarHBondContact O-N 3.41Å; A281-K284 PolarHBondContact O-N 2.91Å; A281-S285 PolarHBondContact O-N 3.07Å; A281-S285 PolarHBondContact O-OG 2.91Å
282I98.2Very high96.9Very high0 Ų055.5 Ų55.50%026%0.257CS..Hα-helixtrans-64.5-42.6174.9-62.4169.3000110.4V156 L278 A279 Y280 K284 S285 R290 L293 Y294V156-I282 HydrophobicContact CG1-CD1 4.05Å; V156-I282 HydrophobicContact CG1-CG1 4.14Å; V156-I282 HydrophobicContact CG2-CG1 4.42Å; L278-I282 HydrophobicContact CD1-CD1 4.01Å; L278-I282 HydrophobicContact CD1-CG1 4.33Å; L278-I282 HydrophobicContact CG-CD1 4.23Å; L278-I282 WeakPolarHBondContact O-CG1 3.39Å; L278-I282 PolarHBondContact O-N 3.28Å; L278-I282 VanDerWaalsContact O-N 3.12Å; A279-I282 PolarHBondContact O-N 2.85Å; Y280-I282 VanDerWaalsContact C-N 3.32Å; Y280-I282 PolarHBondContact O-N 3.15Å; I282-K284 VanDerWaalsContact C-N 3.33Å; I282-K284 PolarHBondContact O-N 2.74Å; I282-S285 VanDerWaalsContact O-CB 3.3Å; I282-S285 WeakPolarHBondContact O-CB 3.42Å; I282-S285 PolarHBondContact O-N 2.93Å; I282-S285 VanDerWaalsContact O-N 3.17Å; I282-R290 HydrophobicContact CG2-CB 3.99Å; I282-R290 HydrophobicContact CG2-CG 4.33Å; I282-R290 WeakPolarHBondContact O-CG 3.37Å; I282-L293 HydrophobicContact CG1-CB 4.11Å; I282-L293 HydrophobicContact CG2-CB 4.07Å; I282-L293 HydrophobicContact CG2-CD1 4.35Å; I282-Y294 HydrophobicContact CB-CE2 4.4Å; I282-Y294 HydrophobicContact CD1-CD1 3.61Å; I282-Y294 HydrophobicContact CD1-CE1 3.54Å; I282-Y294 HydrophobicContact CD1-CG 4.15Å; I282-Y294 HydrophobicContact CG2-CD2 3.81Å; I282-Y294 HydrophobicContact CG2-CE1 4.39Å; I282-Y294 HydrophobicContact CG2-CE2 3.49Å; I282-Y294 VanDerWaalsContact CG2-CE2 3.49Å; I282-Y294 HydrophobicContact CG2-CG 4.37Å
283Q97Very high97Very high94 Ų9450.8 Ų50.844%0.43924%0.236SC..Hα-helixtrans-66.6-31.8180-175.462.313.100113.4A279 Y280 S285 R290A279-Q283 WeakPolarHBondContact O-CB 3.4Å; A279-Q283 PolarHBondContact O-N 2.75Å; Y280-Q283 PolarHBondContact O-N 2.88Å; Y280-Q283 VanDerWaalsContact O-N 3.15Å; Q283-S285 VanDerWaalsContact C-N 3.29Å; Q283-R290 VanDerWaalsContact NE2-NH1 3.12Å; Q283-R290 PolarHBondContact O-NE 3.4Å; Q283-R290 VanDerWaalsContact O-NE 3.16Å; Q283-R290 PolarHBondContact O-NH2 3.12Å
284K97.6Very high97.1Very high79 Ų7951 Ų5134%0.34324%0.237SC..Hα-helixtrans-75-19174.2-79-171.3174.91760113.7H178 A179 E181 Y280 A281 I282H178-K284 PolarHBondContact CD2-O 3.29Å; A179-K284 HydrophobicContact CB-CB 3.88Å; E181-K284 VanDerWaalsContact OE1-CD 3.3Å; E181-K284 WeakPolarHBondContact OE1-CD 3.38Å; E181-K284 VanDerWaalsContact OE1-CE 3.25Å; E181-K284 WeakPolarHBondContact OE1-CE 3.48Å; E181-K284 IonicContact OE1-NZ 2.69Å; E181-K284 PolarHBondContact OE1-NZ 2.93Å; Y280-K284 HydrophobicContact CE1-CD 4.27Å; Y280-K284 HydrophobicContact CE2-CG 4.29Å; Y280-K284 PolarHBondContact O-N 3.32Å; Y280-K284 WeakPolarHBondContact OH-CE 3.39Å; A281-K284 PolarHBondContact O-N 2.91Å; I282-K284 VanDerWaalsContact C-N 3.33Å; I282-K284 PolarHBondContact O-N 2.74Å
285S97.2Very high97Very high1 Ų153 Ų531%0.00725%0.247CC..SBendtrans-69.9159.7174.2-55.70000110.9P169 A179 A281 I282 Q283 R290 L293P169-S285 WeakPolarHBondContact CB-OG 3.19Å; P169-S285 VanDerWaalsContact CG-OG 3.3Å; P169-S285 WeakPolarHBondContact CG-OG 3.44Å; A179-S285 WeakPolarHBondContact CB-OG 3.37Å; A281-S285 PolarHBondContact O-N 3.07Å; A281-S285 PolarHBondContact O-OG 2.91Å; I282-S285 VanDerWaalsContact O-CB 3.3Å; I282-S285 WeakPolarHBondContact O-CB 3.42Å; I282-S285 PolarHBondContact O-N 2.93Å; I282-S285 VanDerWaalsContact O-N 3.17Å; Q283-S285 VanDerWaalsContact C-N 3.29Å; S285-R290 PolarHBondContact O-NE 3.48Å; S285-R290 PolarHBondContact O-NH2 2.87Å; S285-L293 WeakPolarHBondContact OG-CD1 3.32Å
286D95.8Very high96.9Very high89 Ų8954.3 Ų54.348%0.47625%0.254SS..  trans-52.4139.7176.5-61.3-43000111.4D288 L289 R290D286-D288 PolarHBondContact O-N 3.18Å; D286-D288 VanDerWaalsContact O-N 3.15Å; D286-L289 HydrophobicContact CB-CD1 4.22Å; D286-L289 HydrophobicContact CB-CG 4.19Å; D286-L289 PolarHBondContact O-N 2.95Å; D286-R290 WeakPolarHBondContact O-CG 3.27Å; D286-R290 PolarHBondContact O-N 2.91Å
287M94.4Very high97Very high144 Ų14450.8 Ų50.871%0.70924%0.238SC*.Hα-helixtrans-54.1-39.4-173.4-70.4-171.9-65.200112.6L289 R290M287-L289 PolarHBondContact O-N 2.77Å; M287-R290 PolarHBondContact O-N 2.94Å
288D95.2Very high97Very high151 Ų15150.8 Ų50.881%0.80724%0.237SC*.Hα-helixtrans-69.2-22.8-177.7-59-26.7000112.8D286D286-D288 PolarHBondContact O-N 3.18Å; D286-D288 VanDerWaalsContact O-N 3.15Å
289L95.9Very high97Very high20 Ų2050.9 Ų50.911%0.10524%0.238CC..Hα-helixtrans-88-24.6-179.9-59-177.2000112.8Y171 L176 D286 M287 R291 M292 L293Y171-L289 HydrophobicContact CD2-CD1 4.03Å; Y171-L289 HydrophobicContact CD2-CD2 3.47Å; Y171-L289 VanDerWaalsContact CD2-CD2 3.47Å; Y171-L289 HydrophobicContact CD2-CG 4.39Å; Y171-L289 HydrophobicContact CE2-CD2 3.47Å; Y171-L289 VanDerWaalsContact CE2-CD2 3.47Å; Y171-L289 HydrophobicContact CG-CD1 4.18Å; Y171-L289 HydrophobicContact CG-CD2 4.34Å; L176-L289 HydrophobicContact CD1-CD1 3.87Å; D286-L289 HydrophobicContact CB-CD1 4.22Å; D286-L289 HydrophobicContact CB-CG 4.19Å; D286-L289 PolarHBondContact O-N 2.95Å; M287-L289 PolarHBondContact O-N 2.77Å; L289-R291 VanDerWaalsContact C-N 3.34Å; L289-R291 PolarHBondContact O-N 2.89Å; L289-M292 WeakPolarHBondContact O-CA 3.35Å; L289-M292 WeakPolarHBondContact O-CB 3.35Å; L289-M292 PolarHBondContact O-N 2.88Å; L289-L293 HydrophobicContact CB-CD1 4.3Å; L289-L293 HydrophobicContact CB-CG 4.43Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 3.27Å
290R96.8Very high97Very high59 Ų5950.4 Ų50.422%0.22323%0.234CC..Hα-helixtrans-57-44.1-167.9-58-169.3-174.8153.66.7113.5I282 Q283 S285 D286 M287 M292 L293 Y294I282-R290 HydrophobicContact CG2-CB 3.99Å; I282-R290 HydrophobicContact CG2-CG 4.33Å; I282-R290 WeakPolarHBondContact O-CG 3.37Å; Q283-R290 VanDerWaalsContact NE2-NH1 3.12Å; Q283-R290 PolarHBondContact O-NE 3.4Å; Q283-R290 VanDerWaalsContact O-NE 3.16Å; Q283-R290 PolarHBondContact O-NH2 3.12Å; S285-R290 PolarHBondContact O-NE 3.48Å; S285-R290 PolarHBondContact O-NH2 2.87Å; D286-R290 WeakPolarHBondContact O-CG 3.27Å; D286-R290 PolarHBondContact O-N 2.91Å; M287-R290 PolarHBondContact O-N 2.94Å; R290-M292 VanDerWaalsContact C-N 3.34Å; R290-M292 PolarHBondContact O-N 3.04Å; R290-L293 PolarHBondContact O-N 2.96Å; R290-Y294 VanDerWaalsContact O-CD2 3.22Å; R290-Y294 WeakPolarHBondContact O-CD2 3.25Å; R290-Y294 PolarHBondContact O-N 2.84Å
291R95Very high96.9Very high147 Ų14745.9 Ų45.956%0.55522%0.219SC*.Hα-helixtrans-59.8-47177.4-179178.7175.5167.94.1111L289 L293 Y294 E295L289-R291 VanDerWaalsContact C-N 3.34Å; L289-R291 PolarHBondContact O-N 2.89Å; R291-L293 VanDerWaalsContact C-N 3.32Å; R291-L293 PolarHBondContact O-N 2.97Å; R291-Y294 PolarHBondContact O-N 3.17Å; R291-E295 IonicContact NE-OE1 3.98Å; R291-E295 PolarHBondContact NE-OE1 3.25Å; R291-E295 WeakPolarHBondContact O-CG 3.49Å; R291-E295 PolarHBondContact O-N 3.15Å; R291-E295 VanDerWaalsContact O-N 3.17Å
292M95.8Very high96.8Very high72 Ų7247.5 Ų47.536%0.35524%0.236SC..Hα-helixtrans-62.3-39.2177.7-174.3-163.4-64.800111.8T154 Y171 L289 R290 E295 N296T154-M292 HydrophobicContact CG2-CG 4.5Å; T154-M292 HydrophobicContact CG2-SD 3.24Å; T154-M292 WeakPolarHBondContact CG2-SD 3.33Å; Y171-M292 HydrophobicContact CE2-CE 4.5Å; L289-M292 WeakPolarHBondContact O-CA 3.35Å; L289-M292 WeakPolarHBondContact O-CB 3.35Å; L289-M292 PolarHBondContact O-N 2.88Å; R290-M292 VanDerWaalsContact C-N 3.34Å; R290-M292 PolarHBondContact O-N 3.04Å; M292-E295 CarbonylContact O-C 3.57Å; M292-E295 PolarHBondContact O-N 3.19Å; M292-N296 WeakPolarHBondContact O-CB 3.35Å; M292-N296 PolarHBondContact O-N 3.15Å; M292-N296 VanDerWaalsContact O-N 3.09Å; M292-N296 PolarHBondContact O-ND2 3.21Å
293L97.7Very high96.8Very high2 Ų247.8 Ų47.81%0.0124%0.238CC..Hα-helixtrans-66.9-40.8178.9-65.1174.7000111.9V156 P169 I282 S285 L289 R290 R291 E295 N296 I297V156-L293 HydrophobicContact CB-CB 4.48Å; V156-L293 HydrophobicContact CB-CD2 4.22Å; V156-L293 HydrophobicContact CG1-CB 4.28Å; V156-L293 WeakPolarHBondContact CG1-O 3.47Å; P169-L293 HydrophobicContact CB-CD1 3.97Å; P169-L293 HydrophobicContact CB-CD2 4.36Å; I282-L293 HydrophobicContact CG1-CB 4.11Å; I282-L293 HydrophobicContact CG2-CB 4.07Å; I282-L293 HydrophobicContact CG2-CD1 4.35Å; S285-L293 WeakPolarHBondContact OG-CD1 3.32Å; L289-L293 HydrophobicContact CB-CD1 4.3Å; L289-L293 HydrophobicContact CB-CG 4.43Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 3.27Å; R290-L293 PolarHBondContact O-N 2.96Å; R291-L293 VanDerWaalsContact C-N 3.32Å; R291-L293 PolarHBondContact O-N 2.97Å; L293-E295 PolarHBondContact O-N 3.38Å; L293-N296 CarbonylContact O-C 3.48Å; L293-N296 PolarHBondContact O-N 3.36Å; L293-N296 VanDerWaalsContact O-N 3.07Å; L293-I297 WeakPolarHBondContact O-CG1 2.99Å; L293-I297 PolarHBondContact O-N 3.27Å
294Y97.4Very high96.8Very high6 Ų643.4 Ų43.42%0.02422%0.217CC..Hα-helixtrans-62.4-31.1172.9-81.9-59.9000113I282 R290 R291 N296 A321 P322 A325 H326 L327 R328I282-Y294 HydrophobicContact CB-CE2 4.4Å; I282-Y294 HydrophobicContact CD1-CD1 3.61Å; I282-Y294 HydrophobicContact CD1-CE1 3.54Å; I282-Y294 HydrophobicContact CD1-CG 4.15Å; I282-Y294 HydrophobicContact CG2-CD2 3.81Å; I282-Y294 HydrophobicContact CG2-CE1 4.39Å; I282-Y294 HydrophobicContact CG2-CE2 3.49Å; I282-Y294 VanDerWaalsContact CG2-CE2 3.49Å; I282-Y294 HydrophobicContact CG2-CG 4.37Å; R290-Y294 VanDerWaalsContact O-CD2 3.22Å; R290-Y294 WeakPolarHBondContact O-CD2 3.25Å; R290-Y294 PolarHBondContact O-N 2.84Å; R291-Y294 PolarHBondContact O-N 3.17Å; Y294-N296 VanDerWaalsContact C-N 3.33Å; Y294-A321 HydrophobicContact CD1-CB 4.12Å; Y294-A321 HydrophobicContact CE1-CB 3.59Å; Y294-A321 HydrophobicContact CE2-CB 4.33Å; Y294-P322 HydrophobicContact CE2-CG 4.45Å; Y294-A325 HydrophobicContact CD2-CB 4.12Å; Y294-A325 HydrophobicContact CG-CB 4.21Å; Y294-H326 CarbonylContact C-O 3.55Å; Y294-L327 HydrophobicContact CD1-CD2 3.37Å; Y294-L327 HydrophobicContact CE1-CD2 4.12Å; Y294-L327 HydrophobicContact CG-CD2 3.99Å; Y294-L327 WeakPolarHBondContact O-CA 3.39Å; Y294-R328 PolarHBondContact O-N 2.88Å
295E96.4Very high96.8Very high45 Ų4543 Ų4321%0.2122%0.219CC..THydrogen-bonded Turntrans-81.9-7.2175.1-72175.8-161.200113.5R291 M292 L293 H326 R328R291-E295 IonicContact NE-OE1 3.98Å; R291-E295 PolarHBondContact NE-OE1 3.25Å; R291-E295 WeakPolarHBondContact O-CG 3.49Å; R291-E295 PolarHBondContact O-N 3.15Å; R291-E295 VanDerWaalsContact O-N 3.17Å; M292-E295 CarbonylContact O-C 3.57Å; M292-E295 PolarHBondContact O-N 3.19Å; L293-E295 PolarHBondContact O-N 3.38Å; E295-H326 WeakPolarHBondContact CA-O 3.18Å; E295-H326 HydrophobicContact CG-CB 3.85Å; E295-H326 WeakPolarHBondContact CG-O 3.36Å; E295-H326 IonicContact OE1-CD2 2.71Å; E295-R328 VanDerWaalsContact O-CB 3.31Å; E295-R328 WeakPolarHBondContact O-CB 3.3Å
296N97.2Very high96.8Very high43 Ų4343.9 Ų43.923%0.2322%0.222CC..  trans-138.452.1-174.1-67.9-66.7000112.4G155 V156 M292 L293 Y294G155-N296 WeakPolarHBondContact CA-O 3.39Å; V156-N296 PolarHBondContact N-O 3.28Å; M292-N296 WeakPolarHBondContact O-CB 3.35Å; M292-N296 PolarHBondContact O-N 3.15Å; M292-N296 VanDerWaalsContact O-N 3.09Å; M292-N296 PolarHBondContact O-ND2 3.21Å; L293-N296 CarbonylContact O-C 3.48Å; L293-N296 PolarHBondContact O-N 3.36Å; L293-N296 VanDerWaalsContact O-N 3.07Å; Y294-N296 VanDerWaalsContact C-N 3.33Å
297I98.4Very high96.9Very high0 Ų047.8 Ų47.80%024%0.235CC..EExtended strand (participates in β ladder)trans-82.3131173.7-56.7164.8000108.8V156 L278 L293 L299 L317 R328 I329 S330V156-I297 HydrophobicContact CG1-CB 4.24Å; V156-I297 HydrophobicContact CG1-CG1 3.73Å; V156-I297 HydrophobicContact CG1-CG2 4.49Å; V156-I297 CarbonylContact O-C 3.17Å; V156-I297 WeakPolarHBondContact O-CA 3.33Å; L278-I297 HydrophobicContact CD2-CD1 4.21Å; L278-I297 HydrophobicContact CD2-CG2 3.82Å; L293-I297 WeakPolarHBondContact O-CG1 2.99Å; L293-I297 PolarHBondContact O-N 3.27Å; I297-L299 HydrophobicContact CG2-CD2 4.28Å; I297-L317 HydrophobicContact CD1-CD1 3.83Å; I297-R328 PolarHBondContact N-O 3.21Å; I297-R328 VanDerWaalsContact N-O 3.12Å; I297-I329 HydrophobicContact CB-CG1 4.14Å; I297-I329 HydrophobicContact CD1-CG1 4.12Å; I297-I329 HydrophobicContact CG2-CG1 4.28Å; I297-I329 HydrophobicContact CG2-CG2 4.37Å; I297-I329 CarbonylContact O-C 3.52Å; I297-I329 WeakPolarHBondContact O-CA 3.36Å; I297-S330 PolarHBondContact O-N 3.29Å
298V98.3Very high96.9Very high0 Ų041.9 Ų41.90%021%0.211CC..EExtended strand (participates in β ladder)trans-119.4126.4175.11770000109.4L147 T150 V156 V157 L158 S330L147-V298 HydrophobicContact CD1-CG2 3.86Å; T150-V298 HydrophobicContact CG2-CG1 3.74Å; T150-V298 HydrophobicContact CG2-CG2 4.39Å; V156-V298 PolarHBondContact O-N 3.12Å; V157-V298 WeakPolarHBondContact CA-O 3.49Å; V157-V298 HydrophobicContact CG2-CB 4.19Å; L158-V298 PolarHBondContact N-O 2.75Å; V298-S330 WeakPolarHBondContact CA-O 3.49Å
299L98.4Very high97.1Very high2 Ų234.7 Ų34.71%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-90.5131.9175.2-57.7-171.5000111L158 I297 T304 F309 L313 I329 S330 A331L158-L299 HydrophobicContact CB-CD2 4Å; L158-L299 HydrophobicContact CD2-CD2 3.94Å; L158-L299 HydrophobicContact CG-CD2 4.35Å; I297-L299 HydrophobicContact CG2-CD2 4.28Å; L299-T304 HydrophobicContact CB-CG2 4.38Å; L299-F309 HydrophobicContact CD1-CD1 3.81Å; L299-F309 HydrophobicContact CD1-CE1 3.79Å; L299-F309 HydrophobicContact CD2-CE1 4.15Å; L299-L313 HydrophobicContact CD1-CD2 4.5Å; L299-L313 HydrophobicContact CD2-CD2 3.66Å; L299-I329 HydrophobicContact CD1-CG2 3.71Å; L299-I329 HydrophobicContact CD2-CG2 4Å; L299-I329 HydrophobicContact CG-CG2 3.52Å; L299-S330 PolarHBondContact N-O 3.12Å; L299-A331 HydrophobicContact CB-CB 4.32Å; L299-A331 HydrophobicContact CD1-CB 4.1Å; L299-A331 HydrophobicContact CG-CB 4.42Å
300S97.6Very high97.1Very high0 Ų035.1 Ų35.10%018%0.181CC..EExtended strand (participates in β ladder)trans-135.9161.1177.4179.30000110.7S146 L158 D159 S160 T304S146-S300 PolarHBondContact OG-OG 3.17Å; L158-S300 PolarHBondContact O-N 3.4Å; D159-S300 WeakPolarHBondContact CA-O 3.47Å; D159-S300 WeakPolarHBondContact OD2-CB 3.33Å; D159-S300 PolarHBondContact OD2-OG 2.99Å; S160-S300 PolarHBondContact N-O 3.19Å; S300-T304 WeakPolarHBondContact O-CG2 3.15Å
301G96.5Very high97.1Very high9 Ų937.4 Ų37.49%0.09320%0.198CC..SBendtrans86.4152.8174.500000114.2S160 S303 T304 R335S160-G301 CarbonylContact O-C 3.57Å; S160-G301 WeakPolarHBondContact O-CA 3.01Å; G301-S303 PolarHBondContact O-N 2.69Å; G301-T304 PolarHBondContact O-N 3.29Å; G301-T304 PolarHBondContact O-OG1 3.11Å; G301-R335 PolarHBondContact N-O 2.85Å
302G96.1Very high97.1Very high34 Ų3431 Ų3135%0.35117%0.174SC..G310 helixtrans-65.5-30-168.400000115.2S160 T304 L305S160-G302 PolarHBondContact O-N 2.9Å; G302-T304 PolarHBondContact O-N 2.89Å; G302-L305 VanDerWaalsContact O-CB 3.26Å; G302-L305 WeakPolarHBondContact O-CB 3.46Å; G302-L305 PolarHBondContact O-N 2.78Å; G302-L305 VanDerWaalsContact O-N 3.09Å
303S97.9Very high97.2Very high7 Ų727.6 Ų27.65%0.04916%0.157CC..G310 helixtrans-71.5-17.6179.3-60.70000112.3S160 G161 G187 G301 L305 F306S160-S303 VanDerWaalsContact O-CB 3.29Å; S160-S303 WeakPolarHBondContact O-CB 3.41Å; S160-S303 PolarHBondContact O-N 3.23Å; S160-S303 WeakPolarHBondContact OG-CB 3.39Å; G161-S303 PolarHBondContact O-OG 3.38Å; G187-S303 WeakPolarHBondContact CA-OG 3.39Å; G187-S303 PolarHBondContact N-OG 2.82Å; G301-S303 PolarHBondContact O-N 2.69Å; S303-L305 PolarHBondContact O-N 3.16Å; S303-F306 WeakPolarHBondContact O-CD2 3.38Å
304T98.1Very high97.2Very high1 Ų129.5 Ų29.51%0.00617%0.169CC..G310 helixtrans-77.7-2.9172.274.90000113.2L299 S300 G301 G302 F309 R335L299-T304 HydrophobicContact CB-CG2 4.38Å; S300-T304 WeakPolarHBondContact O-CG2 3.15Å; G301-T304 PolarHBondContact O-N 3.29Å; G301-T304 PolarHBondContact O-OG1 3.11Å; G302-T304 PolarHBondContact O-N 2.89Å; T304-F309 HydrophobicContact CG2-CD1 4.46Å; T304-F309 HydrophobicContact CG2-CE1 3.85Å; T304-F309 HydrophobicContact CG2-CE2 4.33Å; T304-F309 HydrophobicContact CG2-CZ 3.78Å; T304-R335 PolarHBondContact O-NE 3.16Å; T304-R335 PolarHBondContact O-NH2 2.7Å; T304-R335 WeakPolarHBondContact OG1-CD 3.48Å; T304-R335 PolarHBondContact OG1-NE 2.66Å
305L97.5Very high97.1Very high71 Ų7132 Ų3237%0.37218%0.182SC..G310 helixtrans-84.5-8.5176.8-64.4164.2000113.4G302 S303 K307 R335 L336G302-L305 VanDerWaalsContact O-CB 3.26Å; G302-L305 WeakPolarHBondContact O-CB 3.46Å; G302-L305 PolarHBondContact O-N 2.78Å; G302-L305 VanDerWaalsContact O-N 3.09Å; S303-L305 PolarHBondContact O-N 3.16Å; L305-K307 PolarHBondContact O-N 3.19Å; L305-R335 HydrophobicContact CD2-CG 4.03Å; L305-L336 HydrophobicContact CD1-CB 4.08Å; L305-L336 HydrophobicContact CD1-CD1 4Å; L305-L336 HydrophobicContact CD1-CG 4.44Å
306F97.4Very high97.1Very high20 Ų2030.8 Ų30.89%0.08818%0.177CC..SBendtrans-54.3130.5172.6-77.4-58.1000110.5V190 K218 C222 I224 P258 L261 S303 G308 F309V190-F306 HydrophobicContact CG1-CE2 4.49Å; V190-F306 HydrophobicContact CG1-CZ 4.08Å; K218-F306 HydrophobicContact CD-CZ 3.99Å; K218-F306 HydrophobicContact CG-CE1 3.95Å; K218-F306 HydrophobicContact CG-CZ 3.62Å; C222-F306 HydrophobicContact CB-CD1 4.4Å; C222-F306 HydrophobicContact CB-CE1 3.82Å; I224-F306 HydrophobicContact CD1-CB 3.71Å; I224-F306 HydrophobicContact CD1-CD2 4.14Å; I224-F306 HydrophobicContact CD1-CG 4.25Å; I224-F306 HydrophobicContact CG1-CB 4.03Å; I224-F306 HydrophobicContact CG1-CG 4.43Å; P258-F306 HydrophobicContact CB-CD1 4.4Å; P258-F306 HydrophobicContact CB-CD2 4.12Å; P258-F306 HydrophobicContact CB-CE1 4.3Å; P258-F306 HydrophobicContact CB-CE2 4.03Å; P258-F306 HydrophobicContact CB-CG 4.32Å; P258-F306 HydrophobicContact CB-CZ 4.12Å; P258-F306 HydrophobicContact CG-CD1 4.13Å; P258-F306 HydrophobicContact CG-CE1 3.8Å; P258-F306 HydrophobicContact CG-CE2 4.34Å; P258-F306 HydrophobicContact CG-CZ 3.91Å; L261-F306 HydrophobicContact CD1-CD2 4.19Å; L261-F306 HydrophobicContact CD1-CE2 4.09Å; S303-F306 WeakPolarHBondContact O-CD2 3.38Å; F306-G308 PolarHBondContact O-N 3.47Å; F306-F309 HydrophobicContact CB-CB 4.32Å; F306-F309 WeakPolarHBondContact O-CB 3.39Å; F306-F309 PolarHBondContact O-N 3.32Å
307K96.3Very high97.1Very high171 Ų17128.8 Ų28.874%0.74317%0.166SC*.BIsolated β-bridgetrans-56.7132.9172.6-178.4-179178.9-178.10109.2F223 I224 L305 F309F223-K307 HydrophobicContact CB-CB 4.02Å; I224-K307 PolarHBondContact N-O 3.38Å; L305-K307 PolarHBondContact O-N 3.19Å; K307-F309 VanDerWaalsContact C-N 3.31Å; K307-F309 PolarHBondContact O-N 3.42Å
308G96Very high96.9Very high19 Ų1935.9 Ų35.920%0.19620%0.197CC..THydrogen-bonded Turntrans81.9-1.9-177.600000115.3F306 G310 D311 R312F306-G308 PolarHBondContact O-N 3.47Å; G308-G310 PolarHBondContact O-N 3.06Å; G308-D311 PolarHBondContact O-N 3.1Å; G308-R312 WeakPolarHBondContact O-CB 3.29Å; G308-R312 PolarHBondContact O-N 3.26Å
309F97.8Very high96.7Very high1 Ų143.7 Ų43.70%0.00423%0.226CC..Hα-helixtrans-56-51.1178.3-178.1-82.5000112L158 I224 F262 I274 L299 T304 F306 K307 R312 L313L158-F309 HydrophobicContact CD2-CE1 4.48Å; L158-F309 HydrophobicContact CD2-CZ 4.31Å; I224-F309 HydrophobicContact CD1-CB 3.8Å; I224-F309 HydrophobicContact CD1-CD2 3.42Å; I224-F309 VanDerWaalsContact CD1-CD2 3.42Å; I224-F309 HydrophobicContact CD1-CE2 4.39Å; I224-F309 HydrophobicContact CD1-CG 4.03Å; F262-F309 HydrophobicContact CE2-CD2 4.34Å; F262-F309 HydrophobicContact CE2-CE2 4.3Å; F262-F309 HydrophobicContact CZ-CE2 4.36Å; I274-F309 HydrophobicContact CD1-CE2 3.96Å; I274-F309 HydrophobicContact CD1-CZ 3.69Å; L299-F309 HydrophobicContact CD1-CD1 3.81Å; L299-F309 HydrophobicContact CD1-CE1 3.79Å; L299-F309 HydrophobicContact CD2-CE1 4.15Å; T304-F309 HydrophobicContact CG2-CD1 4.46Å; T304-F309 HydrophobicContact CG2-CE1 3.85Å; T304-F309 HydrophobicContact CG2-CE2 4.33Å; T304-F309 HydrophobicContact CG2-CZ 3.78Å; F306-F309 HydrophobicContact CB-CB 4.32Å; F306-F309 WeakPolarHBondContact O-CB 3.39Å; F306-F309 PolarHBondContact O-N 3.32Å; K307-F309 VanDerWaalsContact C-N 3.31Å; K307-F309 PolarHBondContact O-N 3.42Å; F309-R312 PolarHBondContact O-N 2.99Å; F309-L313 HydrophobicContact CE1-CB 4.5Å; F309-L313 HydrophobicContact CE1-CD2 3.93Å; F309-L313 WeakPolarHBondContact O-CB 3.33Å; F309-L313 PolarHBondContact O-N 3.44Å
310G96.4Very high96.6Very high28 Ų2847.5 Ų47.529%0.28925%0.246SC..Hα-helixtrans-61.2-47.8-17800000112.4G308 R312 L313 V314G308-G310 PolarHBondContact O-N 3.06Å; G310-R312 VanDerWaalsContact C-N 3.35Å; G310-R312 PolarHBondContact O-N 2.77Å; G310-L313 PolarHBondContact O-N 3.23Å; G310-V314 WeakPolarHBondContact O-CG2 3.35Å; G310-V314 PolarHBondContact O-N 3.36Å
311D96.1Very high96.4Very high108 Ų10848.1 Ų48.158%0.57825%0.251SS*.Hα-helixtrans-62-43.1179.9-58-50.1000111.7L226 G308 V314 L315L226-D311 HydrophobicContact CD1-CB 4.29Å; L226-D311 HydrophobicContact CD2-CB 3.87Å; L226-D311 HydrophobicContact CG-CB 4.4Å; G308-D311 PolarHBondContact O-N 3.1Å; D311-V314 PolarHBondContact O-N 2.85Å; D311-L315 WeakPolarHBondContact O-CB 3.22Å; D311-L315 PolarHBondContact O-N 3.12Å
312R96.6Very high96.3Very high12 Ų1250.9 Ų50.95%0.04527%0.267CS..Hα-helixtrans-64-43.2176.6179.459.5179.5-73.4-7.9111.4I224 S225 L226 E259 F262 G308 F309 G310 V314 L315 E316I224-R312 HydrophobicContact CG2-CB 3.5Å; I224-R312 VanDerWaalsContact CG2-CB 3.5Å; I224-R312 HydrophobicContact CG2-CG 3.69Å; S225-R312 PolarHBondContact O-NH1 3.43Å; S225-R312 VanDerWaalsContact O-NH1 3.09Å; L226-R312 HydrophobicContact CD2-CB 4.11Å; E259-R312 VanDerWaalsContact CD-NH1 3.33Å; E259-R312 IonicContact OE1-CZ 2.73Å; E259-R312 IonicContact OE1-NH1 3.66Å; E259-R312 PolarHBondContact OE1-NH1 2.93Å; E259-R312 VanDerWaalsContact OE1-NH1 3.16Å; E259-R312 IonicContact OE1-NH2 2.8Å; E259-R312 PolarHBondContact OE1-NH2 2.98Å; E259-R312 IonicContact OE2-CZ 3.85Å; E259-R312 IonicContact OE2-NH1 3.06Å; E259-R312 PolarHBondContact OE2-NH1 3.19Å; E259-R312 IonicContact OE2-NH2 3.36Å; F262-R312 HydrophobicContact CD1-CG 3.81Å; F262-R312 HydrophobicContact CD2-CG 4.26Å; F262-R312 HydrophobicContact CE1-CB 4.34Å; F262-R312 HydrophobicContact CE1-CG 3.56Å; F262-R312 HydrophobicContact CE2-CG 4.05Å; F262-R312 HydrophobicContact CG-CG 4.16Å; F262-R312 HydrophobicContact CZ-CB 4.13Å; F262-R312 HydrophobicContact CZ-CG 3.68Å; G308-R312 WeakPolarHBondContact O-CB 3.29Å; G308-R312 PolarHBondContact O-N 3.26Å; F309-R312 PolarHBondContact O-N 2.99Å; G310-R312 VanDerWaalsContact C-N 3.35Å; G310-R312 PolarHBondContact O-N 2.77Å; R312-V314 PolarHBondContact O-N 3.41Å; R312-L315 PolarHBondContact O-N 2.91Å; R312-E316 IonicContact CZ-OE1 3.73Å; R312-E316 IonicContact NE-OE1 3.79Å; R312-E316 PolarHBondContact NE-OE1 2.84Å; R312-E316 IonicContact NH2-OE1 2.75Å; R312-E316 PolarHBondContact NH2-OE1 2.91Å; R312-E316 WeakPolarHBondContact O-CG 3.34Å; R312-E316 PolarHBondContact O-N 3.27Å
313L97.9Very high95.9Very high0 Ų060 Ų600%030%0.297CS..Hα-helixtrans-61.5-44.5177.5-176.663.2000111.7L158 F262 H275 L278 L299 F309 G310 L315 E316 L317 I329L158-L313 HydrophobicContact CD2-CD1 4.15Å; L158-L313 HydrophobicContact CD2-CD2 3.56Å; F262-L313 HydrophobicContact CE1-CD1 4.44Å; F262-L313 HydrophobicContact CZ-CB 4.47Å; H275-L313 HydrophobicContact CB-CD1 3.89Å; L278-L313 HydrophobicContact CD2-CD1 4.36Å; L278-L313 HydrophobicContact CD2-CD2 4.26Å; L299-L313 HydrophobicContact CD1-CD2 4.5Å; L299-L313 HydrophobicContact CD2-CD2 3.66Å; F309-L313 HydrophobicContact CE1-CB 4.5Å; F309-L313 HydrophobicContact CE1-CD2 3.93Å; F309-L313 WeakPolarHBondContact O-CB 3.33Å; F309-L313 PolarHBondContact O-N 3.44Å; G310-L313 PolarHBondContact O-N 3.23Å; L313-L315 VanDerWaalsContact C-N 3.34Å; L313-L315 PolarHBondContact O-N 3.18Å; L313-E316 PolarHBondContact O-N 3.39Å; L313-L317 HydrophobicContact CD1-CD1 4.11Å; L313-L317 HydrophobicContact CD1-CG 4.12Å; L313-L317 HydrophobicContact CG-CD1 3.88Å; L313-L317 HydrophobicContact CG-CG 4.31Å; L313-L317 WeakPolarHBondContact O-CB 3.11Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.37Å; L313-I329 HydrophobicContact CD2-CD1 3.96Å; L313-I329 HydrophobicContact CG-CD1 4.17Å
314V96.5Very high95.4Very high42 Ų4265.1 Ų65.126%0.25532%0.324SS..Hα-helixtrans-59.9-45.1175.2173.10000111.1G310 D311 R312 E316 L317 K318 I329G310-V314 WeakPolarHBondContact O-CG2 3.35Å; G310-V314 PolarHBondContact O-N 3.36Å; D311-V314 PolarHBondContact O-N 2.85Å; R312-V314 PolarHBondContact O-N 3.41Å; V314-E316 VanDerWaalsContact C-N 3.35Å; V314-E316 PolarHBondContact O-N 3.18Å; V314-L317 PolarHBondContact O-N 3.06Å; V314-K318 HydrophobicContact CG1-CD 4.19Å; V314-K318 HydrophobicContact CG1-CG 4.4Å; V314-K318 WeakPolarHBondContact O-CG 3.31Å; V314-K318 PolarHBondContact O-N 2.74Å; V314-I329 HydrophobicContact CG2-CD1 3.49Å; V314-I329 VanDerWaalsContact CG2-CD1 3.49Å; V314-I329 HydrophobicContact CG2-CG1 4.27Å
315L95.5Very high95.1Very high59 Ų5966 Ų6631%0.30933%0.332SS..Hα-helixtrans-58.5-46.8-179.8177.164.7000111.6L226 D311 R312 L313L226-L315 HydrophobicContact CD2-CB 4.42Å; L226-L315 HydrophobicContact CD2-CD2 4.14Å; D311-L315 WeakPolarHBondContact O-CB 3.22Å; D311-L315 PolarHBondContact O-N 3.12Å; R312-L315 PolarHBondContact O-N 2.91Å; L313-L315 VanDerWaalsContact C-N 3.34Å; L313-L315 PolarHBondContact O-N 3.18Å
316E96.4Very high94.9Very high20 Ų2067.8 Ų67.89%0.09334%0.338CS..Hα-helixtrans-72.4-40.8-179.3-61.3-63.1-179.200112.2F262 H275 R312 L313 V314 K318 R319 L320F262-E316 HydrophobicContact CD1-CG 4.06Å; F262-E316 HydrophobicContact CE1-CG 4.35Å; H275-E316 HydrophobicContact CB-CB 3.6Å; H275-E316 HydrophobicContact CB-CG 4.31Å; R312-E316 IonicContact CZ-OE1 3.73Å; R312-E316 IonicContact NE-OE1 3.79Å; R312-E316 PolarHBondContact NE-OE1 2.84Å; R312-E316 IonicContact NH2-OE1 2.75Å; R312-E316 PolarHBondContact NH2-OE1 2.91Å; R312-E316 WeakPolarHBondContact O-CG 3.34Å; R312-E316 PolarHBondContact O-N 3.27Å; L313-E316 PolarHBondContact O-N 3.39Å; V314-E316 VanDerWaalsContact C-N 3.35Å; V314-E316 PolarHBondContact O-N 3.18Å; E316-K318 VanDerWaalsContact C-N 3.3Å; E316-K318 PolarHBondContact O-N 2.89Å; E316-R319 WeakPolarHBondContact O-CB 3.33Å; E316-R319 PolarHBondContact O-N 3.49Å; E316-R319 IonicContact OE1-NH1 2.62Å; E316-R319 IonicContact OE2-CZ 2.84Å; E316-R319 IonicContact OE2-NE 3.05Å; E316-R319 IonicContact OE2-NH1 3.11Å; E316-R319 PolarHBondContact OE2-NH1 3.06Å; E316-L320 PolarHBondContact O-N 3.06Å
317L96.6Very high94.8Very high0 Ų068.8 Ų68.80%034%0.344CS..Hα-helixtrans-62.5-36.1176.5-74.8175.9000112.3L278 A279 I297 L313 V314 R319 L320 A321 L327 I329L278-L317 HydrophobicContact CD2-CD1 3.75Å; L278-L317 HydrophobicContact CD2-CD2 4.21Å; L278-L317 HydrophobicContact CG-CD2 4.28Å; A279-L317 HydrophobicContact CB-CD2 4.14Å; I297-L317 HydrophobicContact CD1-CD1 3.83Å; L313-L317 HydrophobicContact CD1-CD1 4.11Å; L313-L317 HydrophobicContact CD1-CG 4.12Å; L313-L317 HydrophobicContact CG-CD1 3.88Å; L313-L317 HydrophobicContact CG-CG 4.31Å; L313-L317 WeakPolarHBondContact O-CB 3.11Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.37Å; V314-L317 PolarHBondContact O-N 3.06Å; L317-R319 PolarHBondContact O-N 2.82Å; L317-R319 VanDerWaalsContact O-N 3.13Å; L317-L320 PolarHBondContact O-N 3.03Å; L317-A321 WeakPolarHBondContact O-CB 3.49Å; L317-A321 PolarHBondContact O-N 3.29Å; L317-L327 HydrophobicContact CB-CD1 3.9Å; L317-I329 HydrophobicContact CD1-CD1 4.4Å
318K95.4Very high94.7Very high149 Ų14968.8 Ų68.865%0.64834%0.339SS*.Hα-helixtrans-59.3-23.1174.4-78.8-179.3177.6179.80113.6V314 E316 L327V314-K318 HydrophobicContact CG1-CD 4.19Å; V314-K318 HydrophobicContact CG1-CG 4.4Å; V314-K318 WeakPolarHBondContact O-CG 3.31Å; V314-K318 PolarHBondContact O-N 2.74Å; E316-K318 VanDerWaalsContact C-N 3.3Å; E316-K318 PolarHBondContact O-N 2.89Å; K318-L327 HydrophobicContact CB-CD1 4.43Å; K318-L327 HydrophobicContact CG-CD1 3.59Å
319R94.8Very high94.8Very high164 Ų16470 Ų7062%0.61934%0.341SS*.Hα-helixtrans-84.4-28.3177.2-58.9173.3177.3164.9-8.3112.4E316 L317E316-R319 WeakPolarHBondContact O-CB 3.33Å; E316-R319 PolarHBondContact O-N 3.49Å; E316-R319 IonicContact OE1-NH1 2.62Å; E316-R319 IonicContact OE2-CZ 2.84Å; E316-R319 IonicContact OE2-NE 3.05Å; E316-R319 IonicContact OE2-NH1 3.11Å; E316-R319 PolarHBondContact OE2-NH1 3.06Å; L317-R319 PolarHBondContact O-N 2.82Å; L317-R319 VanDerWaalsContact O-N 3.13Å
320L95.7Very high94.7Very high83 Ų8371.4 Ų71.444%0.43535%0.351SS..Hα-helixtrans-98.6-31.9-175.4-62-178.3000113.2Q276 A279 E316 L317Q276-L320 HydrophobicContact CG-CD1 3.94Å; A279-L320 HydrophobicContact CB-CB 4Å; A279-L320 HydrophobicContact CB-CD1 3.83Å; E316-L320 PolarHBondContact O-N 3.06Å; L317-L320 PolarHBondContact O-N 3.03Å
321A94.2Very high94.7Very high13 Ų1372.1 Ų72.111%0.10735%0.354CS..SBendtrans-74.3155.1-178.100000111.7Y294 L317 A325 L327Y294-A321 HydrophobicContact CD1-CB 4.12Å; Y294-A321 HydrophobicContact CE1-CB 3.59Å; Y294-A321 HydrophobicContact CE2-CB 4.33Å; L317-A321 WeakPolarHBondContact O-CB 3.49Å; L317-A321 PolarHBondContact O-N 3.29Å; A321-A325 HydrophobicContact CB-CB 4.19Å; A321-L327 HydrophobicContact CB-CD2 4.08Å
322P92.3Very high94.5Very high66 Ų6668 Ų6843%0.42933%0.334SS..  trans-53.7146.1169.7-24.434.3000112Y294 D324 A325Y294-P322 HydrophobicContact CE2-CG 4.45Å; P322-D324 VanDerWaalsContact CB-OD1 3.27Å; P322-D324 WeakPolarHBondContact CB-OD1 3.39Å; P322-D324 PolarHBondContact O-N 3.36Å; P322-A325 HydrophobicContact CB-CB 4.3Å; P322-A325 VanDerWaalsContact O-CB 3.24Å; P322-A325 WeakPolarHBondContact O-CB 3.39Å; P322-A325 PolarHBondContact O-N 2.93Å
323K89.2Confident94.3Very high225 Ų22575.1 Ų75.198%0.97837%0.367SS*.THydrogen-bonded Turntrans-62.3-26.4-175.3-68.3-173.6179.3179.90113.7
324D87.8Confident94Very high115 Ų11579.9 Ų79.962%0.61539%0.389SS*.THydrogen-bonded Turntrans-90.9-2.6178.562.2-47.2000113.3P322 H326P322-D324 VanDerWaalsContact CB-OD1 3.27Å; P322-D324 WeakPolarHBondContact CB-OD1 3.39Å; P322-D324 PolarHBondContact O-N 3.36Å; D324-H326 PolarHBondContact O-N 2.96Å
325A90.6Very high93.9Very high20 Ų2079.3 Ų79.317%0.16538%0.382CS..  trans-71.3127179.300000111.8Y294 A321 P322 L327Y294-A325 HydrophobicContact CD2-CB 4.12Å; Y294-A325 HydrophobicContact CG-CB 4.21Å; A321-A325 HydrophobicContact CB-CB 4.19Å; P322-A325 HydrophobicContact CB-CB 4.3Å; P322-A325 VanDerWaalsContact O-CB 3.24Å; P322-A325 WeakPolarHBondContact O-CB 3.39Å; P322-A325 PolarHBondContact O-N 2.93Å; A325-L327 PolarHBondContact O-N 3.4Å
326H92.9Very high93.9Very high109 Ų10978.2 Ų78.251%0.50538%0.377SS..  trans-88.697.6174-65.2-62.4000110.8Y294 E295 D324 R328Y294-H326 CarbonylContact C-O 3.55Å; E295-H326 WeakPolarHBondContact CA-O 3.18Å; E295-H326 HydrophobicContact CG-CB 3.85Å; E295-H326 WeakPolarHBondContact CG-O 3.36Å; E295-H326 IonicContact OE1-CD2 2.71Å; D324-H326 PolarHBondContact O-N 2.96Å; H326-R328 PolarHBondContact O-N 2.94Å
327L95Very high93.8Very high41 Ų4180.3 Ų80.322%0.21538%0.384CS..  trans-73.3121.2-179.5-57.7178.7000111.6Y294 L317 K318 A321 A325Y294-L327 HydrophobicContact CD1-CD2 3.37Å; Y294-L327 HydrophobicContact CE1-CD2 4.12Å; Y294-L327 HydrophobicContact CG-CD2 3.99Å; Y294-L327 WeakPolarHBondContact O-CA 3.39Å; L317-L327 HydrophobicContact CB-CD1 3.9Å; K318-L327 HydrophobicContact CB-CD1 4.43Å; K318-L327 HydrophobicContact CG-CD1 3.59Å; A321-L327 HydrophobicContact CB-CD2 4.08Å; A325-L327 PolarHBondContact O-N 3.4Å
328R95.8Very high93.8Very high170 Ų17080.3 Ų80.364%0.64239%0.385SS*.  trans-130.5124.3169.6-67.6179.7-179.4172.51.1110.1Y294 E295 I297 H326Y294-R328 PolarHBondContact O-N 2.88Å; E295-R328 VanDerWaalsContact O-CB 3.31Å; E295-R328 WeakPolarHBondContact O-CB 3.3Å; I297-R328 PolarHBondContact N-O 3.21Å; I297-R328 VanDerWaalsContact N-O 3.12Å; H326-R328 PolarHBondContact O-N 2.94Å
329I96.8Very high93.9Very high46 Ų4673.6 Ų73.624%0.23636%0.356CS..EExtended strand (participates in β ladder)trans-114.6122.8179.9-56.2-173.7000108.6I297 L299 L313 V314 L317I297-I329 HydrophobicContact CB-CG1 4.14Å; I297-I329 HydrophobicContact CD1-CG1 4.12Å; I297-I329 HydrophobicContact CG2-CG1 4.28Å; I297-I329 HydrophobicContact CG2-CG2 4.37Å; I297-I329 CarbonylContact O-C 3.52Å; I297-I329 WeakPolarHBondContact O-CA 3.36Å; L299-I329 HydrophobicContact CD1-CG2 3.71Å; L299-I329 HydrophobicContact CD2-CG2 4Å; L299-I329 HydrophobicContact CG-CG2 3.52Å; L313-I329 HydrophobicContact CD2-CD1 3.96Å; L313-I329 HydrophobicContact CG-CD1 4.17Å; V314-I329 HydrophobicContact CG2-CD1 3.49Å; V314-I329 VanDerWaalsContact CG2-CD1 3.49Å; V314-I329 HydrophobicContact CG2-CG1 4.27Å; L317-I329 HydrophobicContact CD1-CD1 4.4Å
330S96.3Very high94.1Very high29 Ų2965.8 Ų65.820%0.20333%0.326CS..EExtended strand (participates in β ladder)trans-93.8124.6168.8-1690000109.3I297 V298 L299I297-S330 PolarHBondContact O-N 3.29Å; V298-S330 WeakPolarHBondContact CA-O 3.49Å; L299-S330 PolarHBondContact N-O 3.12Å
331A95.8Very high94.2Very high44 Ų4462.8 Ų62.836%0.36431%0.311SS..  trans-131.783.6177.400000109.5L299L299-A331 HydrophobicContact CB-CB 4.32Å; L299-A331 HydrophobicContact CD1-CB 4.1Å; L299-A331 HydrophobicContact CG-CB 4.42Å
332P93.3Very high94.3Very high22 Ų2262.2 Ų62.214%0.14331%0.306CS..  trans-52.9147.7176-23.833.4000111.5T150 E334 R335T150-P332 HydrophobicContact CG2-CG 3.99Å; P332-E334 VanDerWaalsContact C-N 3.3Å; P332-R335 HydrophobicContact CB-CB 4.23Å; P332-R335 VanDerWaalsContact O-CB 3.23Å; P332-R335 WeakPolarHBondContact O-CB 3.43Å; P332-R335 VanDerWaalsContact O-CD 3.31Å; P332-R335 WeakPolarHBondContact O-CD 3.48Å; P332-R335 WeakPolarHBondContact O-CG 2.9Å; P332-R335 PolarHBondContact O-N 3.03Å; P332-R335 PolarHBondContact O-NH1 3.26Å
333Q91.5Very high94.5Very high160 Ų16059 Ų5975%0.74829%0.285SS*.THydrogen-bonded Turntrans-68.1-38.9-179.8-68.9-62.9-24.900110.5R335Q333-R335 PolarHBondContact O-N 2.79Å
334E91.8Very high94.9Very high100 Ų10048.5 Ų48.547%0.46724%0.24SC..THydrogen-bonded Turntrans-81.214.3176.167.4-77.9-178.400113.4P332 L336 Y337 S338 I341P332-E334 VanDerWaalsContact C-N 3.3Å; E334-L336 PolarHBondContact O-N 2.84Å; E334-Y337 WeakPolarHBondContact O-CA 3.49Å; E334-Y337 WeakPolarHBondContact O-CB 3.39Å; E334-Y337 PolarHBondContact O-N 3.17Å; E334-S338 PolarHBondContact O-N 3Å; E334-I341 HydrophobicContact CB-CD1 4.5Å; E334-I341 HydrophobicContact CG-CD1 3.94Å
335R95Very high95.2Very high30 Ų3046.3 Ų46.311%0.11323%0.228CC..THydrogen-bonded Turntrans-59.6-11.8-178.469.3-173175-81.45.7115.4G301 T304 L305 P332 Q333 Y337 S338G301-R335 PolarHBondContact N-O 2.85Å; T304-R335 PolarHBondContact O-NE 3.16Å; T304-R335 PolarHBondContact O-NH2 2.7Å; T304-R335 WeakPolarHBondContact OG1-CD 3.48Å; T304-R335 PolarHBondContact OG1-NE 2.66Å; L305-R335 HydrophobicContact CD2-CG 4.03Å; P332-R335 HydrophobicContact CB-CB 4.23Å; P332-R335 VanDerWaalsContact O-CB 3.23Å; P332-R335 WeakPolarHBondContact O-CB 3.43Å; P332-R335 VanDerWaalsContact O-CD 3.31Å; P332-R335 WeakPolarHBondContact O-CD 3.48Å; P332-R335 WeakPolarHBondContact O-CG 2.9Å; P332-R335 PolarHBondContact O-N 3.03Å; P332-R335 PolarHBondContact O-NH1 3.26Å; Q333-R335 PolarHBondContact O-N 2.79Å; R335-Y337 PolarHBondContact O-N 2.86Å; R335-S338 WeakPolarHBondContact CA-OG 3.29Å
336L93.7Very high95.3Very high37 Ų3746.2 Ų46.219%0.19422%0.224CC..THydrogen-bonded Turntrans-58.8-31165.6-17458.9000112.1K22 L305 E334K22-L336 WeakPolarHBondContact CE-O 3.49Å; K22-L336 PolarHBondContact NZ-O 2.63Å; L305-L336 HydrophobicContact CD1-CB 4.08Å; L305-L336 HydrophobicContact CD1-CD1 4Å; L305-L336 HydrophobicContact CD1-CG 4.44Å; E334-L336 PolarHBondContact O-N 2.84Å
337Y95.8Very high95.4Very high63 Ų6341.4 Ų41.425%0.24720%0.203CC..SBendtrans-109.9-1.7-174.1-53.6-46.2000113.7K22 P31 E334 R335 T339 W340 I341K22-Y337 HydrophobicContact CD-CD1 3.7Å; K22-Y337 HydrophobicContact CD-CE1 4.2Å; P31-Y337 HydrophobicContact CG-CD1 3.85Å; P31-Y337 HydrophobicContact CG-CE1 4.1Å; P31-Y337 HydrophobicContact CG-CG 4.35Å; E334-Y337 WeakPolarHBondContact O-CA 3.49Å; E334-Y337 WeakPolarHBondContact O-CB 3.39Å; E334-Y337 PolarHBondContact O-N 3.17Å; R335-Y337 PolarHBondContact O-N 2.86Å; Y337-T339 VanDerWaalsContact C-N 3.29Å; Y337-T339 PolarHBondContact O-N 2.85Å; Y337-W340 PolarHBondContact O-N 3.46Å; Y337-I341 WeakPolarHBondContact O-CG1 3.34Å; Y337-I341 PolarHBondContact O-N 2.59Å
338S96.8Very high95.2Very high1 Ų142.4 Ų42.41%0.00721%0.214CC..Hα-helixtrans-48.3-47.3-176.2-82.50000113.4S149 E334 R335 W340 I341 G342S149-S338 VanDerWaalsContact CB-O 3.28Å; S149-S338 WeakPolarHBondContact CB-O 3.48Å; S149-S338 WeakPolarHBondContact OG-CB 3.46Å; S149-S338 PolarHBondContact OG-OG 3.48Å; E334-S338 PolarHBondContact O-N 3Å; R335-S338 WeakPolarHBondContact CA-OG 3.29Å; S338-W340 PolarHBondContact O-N 2.99Å; S338-I341 PolarHBondContact O-N 2.88Å; S338-G342 PolarHBondContact O-N 3.13Å
339T97.5Very high94.9Very high7 Ų738 Ų384%0.04320%0.203CC..Hα-helixtrans-57.3-48.8177.7-48.40000112.3T111 Q142 L145 S146 Y337 G342 G343T111-T339 HydrophobicContact CG2-CG2 3.9Å; Q142-T339 HydrophobicContact CB-CG2 3.72Å; Q142-T339 HydrophobicContact CG-CG2 3.7Å; L145-T339 HydrophobicContact CB-CG2 4.38Å; L145-T339 WeakPolarHBondContact CB-O 3.5Å; L145-T339 HydrophobicContact CD1-CG2 4.28Å; S146-T339 WeakPolarHBondContact OG-CA 3.35Å; S146-T339 PolarHBondContact OG-N 2.92Å; S146-T339 PolarHBondContact OG-OG1 3.25Å; Y337-T339 VanDerWaalsContact C-N 3.29Å; Y337-T339 PolarHBondContact O-N 2.85Å; T339-G342 PolarHBondContact O-N 2.87Å; T339-G343 PolarHBondContact O-N 3.41Å
340W98.1Very high94.4Very high0 Ų041.4 Ų41.40%022%0.221CC..Hα-helixtrans-68.8-41.9-178.6-174.891.2000111.3V13 D15 K22 D28 V30 P31 Y337 S338 G342 G343 S344V13-W340 HydrophobicContact CB-CZ2 4.4Å; V13-W340 HydrophobicContact CG1-CG 4.32Å; V13-W340 PolarHBondContact O-NE1 3.08Å; D15-W340 HydrophobicContact CB-CB 3.97Å; D15-W340 HydrophobicContact CB-CG 4.44Å; K22-W340 HydrophobicContact CB-CG 4.34Å; K22-W340 HydrophobicContact CD-CB 4.31Å; D28-W340 HydrophobicContact CB-CH2 3.88Å; D28-W340 WeakPolarHBondContact O-CZ3 3.42Å; V30-W340 WeakPolarHBondContact O-CH2 3.31Å; V30-W340 WeakPolarHBondContact O-CZ3 3.24Å; P31-W340 HydrophobicContact CB-CD2 3.67Å; P31-W340 HydrophobicContact CB-CE3 4.1Å; P31-W340 HydrophobicContact CB-CG 3.99Å; P31-W340 HydrophobicContact CB-CZ2 4.33Å; P31-W340 HydrophobicContact CG-CD2 4.26Å; P31-W340 HydrophobicContact CG-CE3 4.35Å; P31-W340 HydrophobicContact CG-CG 4.48Å; P31-W340 VanDerWaalsContact N-CZ3 3.34Å; Y337-W340 PolarHBondContact O-N 3.46Å; S338-W340 PolarHBondContact O-N 2.99Å; W340-G342 VanDerWaalsContact C-N 3.33Å; W340-G342 PolarHBondContact O-N 2.69Å; W340-G343 CarbonylContact O-C 3.59Å; W340-G343 PolarHBondContact O-N 2.88Å; W340-G343 VanDerWaalsContact O-N 3.15Å; W340-S344 WeakPolarHBondContact O-CB 3.39Å; W340-S344 PolarHBondContact O-N 2.93Å
341I97.1Very high93.8Very high21 Ų2145.7 Ų45.711%0.10825%0.246CC..Hα-helixtrans-60.5-44.5176.1-67169000110.1E334 Y337 S338 G343 S344 I345E334-I341 HydrophobicContact CB-CD1 4.5Å; E334-I341 HydrophobicContact CG-CD1 3.94Å; Y337-I341 WeakPolarHBondContact O-CG1 3.34Å; Y337-I341 PolarHBondContact O-N 2.59Å; S338-I341 PolarHBondContact O-N 2.88Å; I341-G343 VanDerWaalsContact C-N 3.32Å; I341-G343 PolarHBondContact O-N 2.98Å; I341-S344 WeakPolarHBondContact O-CB 3.3Å; I341-S344 PolarHBondContact O-N 3.39Å; I341-I345 HydrophobicContact CG2-CD1 3.9Å; I341-I345 HydrophobicContact CG2-CG1 4.49Å; I341-I345 WeakPolarHBondContact O-CG1 3.35Å; I341-I345 PolarHBondContact O-N 3.07Å
342G96.5Very high93.4Very high0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-60-41174.700000113.2L145 S338 T339 W340 L346L145-G342 VanDerWaalsContact O-CA 3.22Å; L145-G342 WeakPolarHBondContact O-CA 3.34Å; S338-G342 PolarHBondContact O-N 3.13Å; T339-G342 PolarHBondContact O-N 2.87Å; W340-G342 VanDerWaalsContact C-N 3.33Å; W340-G342 PolarHBondContact O-N 2.69Å; G342-L346 VanDerWaalsContact O-CB 3.29Å; G342-L346 WeakPolarHBondContact O-CB 3.19Å; G342-L346 PolarHBondContact O-N 2.72Å
343G96.9Very high92.9Very high0 Ų048.8 Ų48.80%025%0.249CC..Hα-helixtrans-63.6-42.117300000112.7T339 W340 I341 L346 A347T339-G343 PolarHBondContact O-N 3.41Å; W340-G343 CarbonylContact O-C 3.59Å; W340-G343 PolarHBondContact O-N 2.88Å; W340-G343 VanDerWaalsContact O-N 3.15Å; I341-G343 VanDerWaalsContact C-N 3.32Å; I341-G343 PolarHBondContact O-N 2.98Å; G343-L346 PolarHBondContact O-N 3.05Å; G343-A347 VanDerWaalsContact O-CB 3.22Å; G343-A347 WeakPolarHBondContact O-CB 3.34Å; G343-A347 PolarHBondContact O-N 3.02Å
344S97.1Very high92.6Very high3 Ų350.5 Ų50.52%0.02125%0.249CC..Hα-helixtrans-61.3-45.7176.3-179.80000111.7G27 D28 W340 I341 S348G27-S344 PolarHBondContact N-O 3.18Å; G27-S344 PolarHBondContact N-OG 3.18Å; D28-S344 PolarHBondContact N-OG 3.47Å; D28-S344 PolarHBondContact O-OG 3.22Å; W340-S344 WeakPolarHBondContact O-CB 3.39Å; W340-S344 PolarHBondContact O-N 2.93Å; I341-S344 WeakPolarHBondContact O-CB 3.3Å; I341-S344 PolarHBondContact O-N 3.39Å; S344-S348 WeakPolarHBondContact O-CB 3.36Å; S344-S348 PolarHBondContact O-N 3.13Å; S344-S348 PolarHBondContact O-OG 3.12Å
345I94.7Very high92.5Very high70 Ų7049.4 Ų49.436%0.35925%0.245SC..Hα-helixtrans-62.2-55.6175.3-67.8166.1000109.5I341 A347 S348 L349I341-I345 HydrophobicContact CG2-CD1 3.9Å; I341-I345 HydrophobicContact CG2-CG1 4.49Å; I341-I345 WeakPolarHBondContact O-CG1 3.35Å; I341-I345 PolarHBondContact O-N 3.07Å; I345-A347 PolarHBondContact O-N 2.96Å; I345-S348 PolarHBondContact O-N 3.02Å; I345-S348 PolarHBondContact O-OG 3.34Å; I345-L349 PolarHBondContact O-N 3.45Å
346L93.8Very high92.4Very high17 Ų1748.6 Ų48.69%0.08924%0.241CC..Hα-helixtrans-57.5-47.1-175.3-17863.6000111.9L109 Y138 L145 Y148 G342 G343 S348 L349 F352L109-L346 HydrophobicContact CD1-CD2 4.27Å; Y138-L346 HydrophobicContact CE1-CD2 4.29Å; L145-L346 HydrophobicContact CD2-CB 4.3Å; L145-L346 HydrophobicContact CD2-CD2 3.61Å; Y148-L346 HydrophobicContact CD2-CD1 4.37Å; Y148-L346 HydrophobicContact CE2-CD1 4.02Å; Y148-L346 HydrophobicContact CE2-CD2 4.32Å; G342-L346 VanDerWaalsContact O-CB 3.29Å; G342-L346 WeakPolarHBondContact O-CB 3.19Å; G342-L346 PolarHBondContact O-N 2.72Å; G343-L346 PolarHBondContact O-N 3.05Å; L346-S348 PolarHBondContact O-N 2.85Å; L346-L349 HydrophobicContact CD1-CD1 4.4Å; L346-L349 PolarHBondContact O-N 2.95Å; L346-F352 HydrophobicContact CD1-CD2 3.55Å; L346-F352 HydrophobicContact CD1-CE2 3.82Å; L346-F352 HydrophobicContact CD1-CG 4.19Å; L346-F352 HydrophobicContact CD2-CD2 4.27Å; L346-F352 HydrophobicContact CD2-CE2 3.66Å; L346-F352 HydrophobicContact CD2-CZ 3.95Å; L346-F352 HydrophobicContact CG-CD1 4.48Å; L346-F352 HydrophobicContact CG-CD2 3.69Å; L346-F352 HydrophobicContact CG-CE1 4.37Å; L346-F352 HydrophobicContact CG-CE2 3.57Å; L346-F352 HydrophobicContact CG-CG 4.14Å; L346-F352 HydrophobicContact CG-CZ 3.92Å; L346-F352 VanDerWaalsContact O-CB 3.3Å; L346-F352 WeakPolarHBondContact O-CB 3.43Å; L346-F352 WeakPolarHBondContact O-CD1 3.3Å; L346-F352 WeakPolarHBondContact O-CG 3.44Å
347A94.1Very high92.5Very high8 Ų846.8 Ų46.87%0.06623%0.232CC..Hα-helixtrans-69.1-18.1-179.600000113.6P11 V13 A26 L109 G343 I345 W356P11-A347 HydrophobicContact CB-CB 4.09Å; P11-A347 HydrophobicContact CG-CB 4.36Å; V13-A347 HydrophobicContact CG2-CB 4.22Å; A26-A347 HydrophobicContact CB-CB 3.58Å; L109-A347 HydrophobicContact CD1-CB 4.08Å; G343-A347 VanDerWaalsContact O-CB 3.22Å; G343-A347 WeakPolarHBondContact O-CB 3.34Å; G343-A347 PolarHBondContact O-N 3.02Å; I345-A347 PolarHBondContact O-N 2.96Å; A347-W356 HydrophobicContact CB-CZ2 4.11Å
348S91.8Very high92.4Very high63 Ų6345.6 Ų45.644%0.44123%0.233SC..Hα-helixtrans-87.1-10.5175.9740000114.3S344 I345 L346S344-S348 WeakPolarHBondContact O-CB 3.36Å; S344-S348 PolarHBondContact O-N 3.13Å; S344-S348 PolarHBondContact O-OG 3.12Å; I345-S348 PolarHBondContact O-N 3.02Å; I345-S348 PolarHBondContact O-OG 3.34Å; L346-S348 PolarHBondContact O-N 2.85Å
349L89.6Confident92.3Very high78 Ų7848.5 Ų48.541%0.40825%0.246SC..  trans-75.3129.6-179.8-62.2177000111.9I345 L346 T351 F352I345-L349 PolarHBondContact O-N 3.45Å; L346-L349 HydrophobicContact CD1-CD1 4.4Å; L346-L349 PolarHBondContact O-N 2.95Å; L349-T351 VanDerWaalsContact C-N 3.26Å; L349-T351 PolarHBondContact O-N 2.84Å; L349-F352 HydrophobicContact CB-CB 4.06Å; L349-F352 VanDerWaalsContact O-CB 3.23Å; L349-F352 WeakPolarHBondContact O-CB 3.45Å; L349-F352 PolarHBondContact O-N 3.4Å
350D85Confident92.1Very high116 Ų11655.5 Ų55.562%0.6227%0.271SS*.G310 helixtrans-60.1-35.4176.4-81.8-40.1000113.2F352 K353D350-F352 PolarHBondContact O-N 3.21Å; D350-K353 WeakPolarHBondContact O-CB 3.36Å; D350-K353 WeakPolarHBondContact O-CG 3.31Å; D350-K353 PolarHBondContact O-N 3.38Å; D350-K353 WeakPolarHBondContact OD1-CE 3.3Å; D350-K353 IonicContact OD1-NZ 3.78Å; D350-K353 PolarHBondContact OD1-NZ 3.1Å
351T84.7Confident91.9Very high119 Ų11957.9 Ų57.973%0.7328%0.282SS*.G310 helixtrans-64-25.1176.250.80000112.4L349 K353L349-T351 VanDerWaalsContact C-N 3.26Å; L349-T351 PolarHBondContact O-N 2.84Å; T351-K353 VanDerWaalsContact C-N 3.29Å; T351-K353 PolarHBondContact O-N 3.16Å
352F85.6Confident91.9Very high9 Ų957.9 Ų57.94%0.03928%0.281CS..G310 helixtrans-76.8-15179.9-170.8-107.2000113L109 Y138 L346 L349 D350 R354 M355 W356L109-F352 HydrophobicContact CD1-CE1 4.26Å; L109-F352 HydrophobicContact CD1-CZ 4.21Å; Y138-F352 HydrophobicContact CD1-CE1 4.44Å; Y138-F352 HydrophobicContact CD1-CE2 4.14Å; Y138-F352 AromaticContact CD1-CZ 3.44Å; Y138-F352 HydrophobicContact CD1-CZ 3.44Å; Y138-F352 VanDerWaalsContact CD1-CZ 3.44Å; Y138-F352 HydrophobicContact CD2-CE2 4.36Å; Y138-F352 AromaticContact CD2-CZ 3.91Å; Y138-F352 HydrophobicContact CD2-CZ 3.91Å; Y138-F352 AromaticContact CE1-CE2 3.87Å; Y138-F352 HydrophobicContact CE1-CE2 3.87Å; Y138-F352 AromaticContact CE1-CZ 3.65Å; Y138-F352 HydrophobicContact CE1-CZ 3.65Å; Y138-F352 HydrophobicContact CE2-CE2 4.17Å; Y138-F352 HydrophobicContact CE2-CZ 4.16Å; Y138-F352 HydrophobicContact CG-CE1 4.35Å; Y138-F352 HydrophobicContact CG-CE2 4.34Å; Y138-F352 AromaticContact CG-CZ 3.53Å; Y138-F352 HydrophobicContact CG-CZ 3.53Å; Y138-F352 AromaticContact CZ-CE2 3.9Å; L346-F352 HydrophobicContact CD1-CD2 3.55Å; L346-F352 HydrophobicContact CD1-CE2 3.82Å; L346-F352 HydrophobicContact CD1-CG 4.19Å; L346-F352 HydrophobicContact CD2-CD2 4.27Å; L346-F352 HydrophobicContact CD2-CE2 3.66Å; L346-F352 HydrophobicContact CD2-CZ 3.95Å; L346-F352 HydrophobicContact CG-CD1 4.48Å; L346-F352 HydrophobicContact CG-CD2 3.69Å; L346-F352 HydrophobicContact CG-CE1 4.37Å; L346-F352 HydrophobicContact CG-CE2 3.57Å; L346-F352 HydrophobicContact CG-CG 4.14Å; L346-F352 HydrophobicContact CG-CZ 3.92Å; L346-F352 VanDerWaalsContact O-CB 3.3Å; L346-F352 WeakPolarHBondContact O-CB 3.43Å; L346-F352 WeakPolarHBondContact O-CD1 3.3Å; L346-F352 WeakPolarHBondContact O-CG 3.44Å; L349-F352 HydrophobicContact CB-CB 4.06Å; L349-F352 VanDerWaalsContact O-CB 3.23Å; L349-F352 WeakPolarHBondContact O-CB 3.45Å; L349-F352 PolarHBondContact O-N 3.4Å; D350-F352 PolarHBondContact O-N 3.21Å; F352-R354 PolarHBondContact O-N 2.72Å; F352-M355 HydrophobicContact CD2-CB 3.73Å; F352-M355 HydrophobicContact CD2-CG 3.76Å; F352-M355 HydrophobicContact CE2-CB 3.63Å; F352-M355 HydrophobicContact CE2-CG 4.01Å; F352-M355 HydrophobicContact CG-CB 4.36Å; F352-M355 HydrophobicContact CZ-CB 4.19Å; F352-M355 WeakPolarHBondContact O-CB 3.4Å; F352-M355 PolarHBondContact O-N 2.61Å; F352-W356 AromaticContact CD1-CE2 3.88Å; F352-W356 HydrophobicContact CD1-CZ2 4.13Å; F352-W356 AromaticContact CD1-NE1 3.53Å; F352-W356 HydrophobicContact CE1-CD2 4.26Å; F352-W356 AromaticContact CE1-CE2 3.59Å; F352-W356 HydrophobicContact CE1-CH2 4.39Å; F352-W356 AromaticContact CE1-CZ2 3.67Å; F352-W356 HydrophobicContact CE1-CZ2 3.67Å; F352-W356 AromaticContact CE1-NE1 3.71Å
353K83.5Confident91.8Very high123 Ų12363 Ų6354%0.53531%0.309SS..G310 helixtrans-53-28.9178.7-74.1174.8172162.60113.7D350 T351D350-K353 WeakPolarHBondContact O-CB 3.36Å; D350-K353 WeakPolarHBondContact O-CG 3.31Å; D350-K353 PolarHBondContact O-N 3.38Å; D350-K353 WeakPolarHBondContact OD1-CE 3.3Å; D350-K353 IonicContact OD1-NZ 3.78Å; D350-K353 PolarHBondContact OD1-NZ 3.1Å; T351-K353 VanDerWaalsContact C-N 3.29Å; T351-K353 PolarHBondContact O-N 3.16Å
354R85.8Confident91.7Very high196 Ų19667.7 Ų67.774%0.7434%0.341SS*.G310 helixtrans-81.8-16.2179.6-61.8-178.8179.6-175.5-0.3114.3F352F352-R354 PolarHBondContact O-N 2.72Å
355M89.8Confident91.6Very high77 Ų7771 Ų7138%0.37936%0.356SS..THydrogen-bonded Turntrans-83-23-176.1-62.6-56.5-65.600112.9Y138 F352Y138-M355 HydrophobicContact CD2-CB 4.32Å; Y138-M355 HydrophobicContact CE2-CB 4.09Å; Y138-M355 HydrophobicContact CE2-CE 4.41Å; F352-M355 HydrophobicContact CD2-CB 3.73Å; F352-M355 HydrophobicContact CD2-CG 3.76Å; F352-M355 HydrophobicContact CE2-CB 3.63Å; F352-M355 HydrophobicContact CE2-CG 4.01Å; F352-M355 HydrophobicContact CG-CB 4.36Å; F352-M355 HydrophobicContact CZ-CB 4.19Å; F352-M355 WeakPolarHBondContact O-CB 3.4Å; F352-M355 PolarHBondContact O-N 2.61Å
356W93.1Very high91.5Very high12 Ų1268.9 Ų68.95%0.04535%0.352CS..  trans-56.2142.4176.3-68.7102.9000112.1I7 P11 P107 V108 L109 A136 L137 A347 F352 K373I7-W356 HydrophobicContact CD1-CB 4.18Å; I7-W356 HydrophobicContact CD1-CG 4.16Å; P11-W356 HydrophobicContact CB-CH2 3.94Å; P11-W356 HydrophobicContact CB-CZ2 3.83Å; P11-W356 HydrophobicContact CG-CH2 4.44Å; P11-W356 HydrophobicContact CG-CZ2 3.86Å; P107-W356 HydrophobicContact CB-CD2 4.43Å; P107-W356 HydrophobicContact CB-CE3 4.09Å; P107-W356 HydrophobicContact CB-CH2 3.88Å; P107-W356 HydrophobicContact CB-CZ2 4.23Å; P107-W356 HydrophobicContact CB-CZ3 3.8Å; V108-W356 VanDerWaalsContact C-CZ3 3.47Å; V108-W356 VanDerWaalsContact O-CZ3 3.31Å; V108-W356 WeakPolarHBondContact O-CZ3 3.41Å; L109-W356 HydrophobicContact CB-CH2 3.93Å; A136-W356 HydrophobicContact CB-CB 4.11Å; A136-W356 HydrophobicContact CB-CD2 4.48Å; A136-W356 HydrophobicContact CB-CE3 4.15Å; A136-W356 HydrophobicContact CB-CG 4.48Å; L137-W356 VanDerWaalsContact C-CE3 3.5Å; A347-W356 HydrophobicContact CB-CZ2 4.11Å; F352-W356 AromaticContact CD1-CE2 3.88Å; F352-W356 HydrophobicContact CD1-CZ2 4.13Å; F352-W356 AromaticContact CD1-NE1 3.53Å; F352-W356 HydrophobicContact CE1-CD2 4.26Å; F352-W356 AromaticContact CE1-CE2 3.59Å; F352-W356 HydrophobicContact CE1-CH2 4.39Å; F352-W356 AromaticContact CE1-CZ2 3.67Å; F352-W356 HydrophobicContact CE1-CZ2 3.67Å; F352-W356 AromaticContact CE1-NE1 3.71Å; W356-K373 PolarHBondContact O-NZ 2.79Å
357I94.8Very high91.4Very high0 Ų069.5 Ų69.50%036%0.359CS..EExtended strand (participates in β ladder)trans-93.3115165.3-63.6161.7000105.9F129 A136 L137 E361 V369 L370 K373 L374F129-I357 HydrophobicContact CE2-CG2 4.15Å; F129-I357 HydrophobicContact CZ-CB 4.34Å; F129-I357 HydrophobicContact CZ-CG2 3.9Å; F129-I357 WeakPolarHBondContact CZ-O 3.43Å; A136-I357 CarbonylContact C-O 3.6Å; A136-I357 WeakPolarHBondContact CA-O 3.44Å; A136-I357 WeakPolarHBondContact CB-O 3.47Å; L137-I357 PolarHBondContact N-O 3.04Å; L137-I357 WeakPolarHBondContact O-CB 3.38Å; L137-I357 PolarHBondContact O-N 3Å; I357-E361 HydrophobicContact CG2-CB 4.46Å; I357-V369 HydrophobicContact CD1-CG1 4.31Å; I357-V369 HydrophobicContact CG1-CG1 4.48Å; I357-V369 HydrophobicContact CG1-CG2 4.32Å; I357-V369 HydrophobicContact CG2-CB 4.45Å; I357-V369 HydrophobicContact CG2-CG1 3.5Å; I357-V369 VanDerWaalsContact CG2-CG1 3.5Å; I357-V369 HydrophobicContact CG2-CG2 4.07Å; I357-L370 HydrophobicContact CD1-CD2 3.55Å; I357-L370 HydrophobicContact CD1-CG 4.28Å; I357-K373 HydrophobicContact CG1-CB 4.46Å; I357-K373 HydrophobicContact CG1-CD 3.87Å; I357-L374 HydrophobicContact CD1-CD1 4.44Å
358S94.6Very high91.4Very high37 Ų3778.7 Ų78.726%0.25939%0.392SS..EExtended strand (participates in β ladder)trans-75.7154.7175.262.60000111.2R360 E361 Y362S358-R360 PolarHBondContact O-N 2.95Å; S358-E361 PolarHBondContact N-OE2 2.88Å; S358-E361 PolarHBondContact O-N 3.33Å; S358-E361 VanDerWaalsContact O-N 3.09Å; S358-E361 WeakPolarHBondContact OG-CB 3.32Å; S358-E361 VanDerWaalsContact OG-CG 3.27Å; S358-E361 WeakPolarHBondContact OG-CG 3.24Å; S358-E361 PolarHBondContact OG-N 3.25Å; S358-E361 PolarHBondContact OG-OE2 3.02Å; S358-E361 VanDerWaalsContact OG-OE2 3.12Å; S358-Y362 PolarHBondContact O-N 3.45Å
359K94.6Very high91.4Very high63 Ų6375.7 Ų75.727%0.27437%0.371SS..Hα-helixtrans-53.5-41.2173.2-171172.6-171.6172.90111.6F129 S133 P135 E361 Y362 D363F129-K359 HydrophobicContact CD1-CB 3.99Å; F129-K359 HydrophobicContact CD1-CG 4.07Å; F129-K359 HydrophobicContact CE1-CB 4.09Å; F129-K359 WeakPolarHBondContact O-CE 3.46Å; S133-K359 VanDerWaalsContact CB-NZ 3.32Å; S133-K359 PolarHBondContact OG-NZ 3.12Å; P135-K359 PolarHBondContact O-N 2.65Å; K359-E361 PolarHBondContact O-N 3.18Å; K359-Y362 CarbonylContact O-C 3.36Å; K359-Y362 WeakPolarHBondContact O-CB 3.13Å; K359-Y362 PolarHBondContact O-N 2.71Å; K359-D363 WeakPolarHBondContact O-CB 3.48Å; K359-D363 PolarHBondContact O-N 2.94Å
360R93.8Very high91.5Very high153 Ų15372 Ų7258%0.57735%0.352SS*.Hα-helixtrans-61.3-42.1176.4-175.8179.2175.9-172.9-1.4113.7S358 S364S358-R360 PolarHBondContact O-N 2.95Å; R360-S364 WeakPolarHBondContact O-CB 3.42Å; R360-S364 PolarHBondContact O-N 3Å; R360-S364 PolarHBondContact O-OG 3.01Å
361E94.1Very high91.7Very high51 Ų5168.3 Ų68.324%0.23833%0.331CS..Hα-helixtrans-65.1-42175.1-75.9171.8124.900110.8I357 S358 K359 S364 E365 V369 K373I357-E361 HydrophobicContact CG2-CB 4.46Å; S358-E361 PolarHBondContact N-OE2 2.88Å; S358-E361 PolarHBondContact O-N 3.33Å; S358-E361 VanDerWaalsContact O-N 3.09Å; S358-E361 WeakPolarHBondContact OG-CB 3.32Å; S358-E361 VanDerWaalsContact OG-CG 3.27Å; S358-E361 WeakPolarHBondContact OG-CG 3.24Å; S358-E361 PolarHBondContact OG-N 3.25Å; S358-E361 PolarHBondContact OG-OE2 3.02Å; S358-E361 VanDerWaalsContact OG-OE2 3.12Å; K359-E361 PolarHBondContact O-N 3.18Å; E361-S364 PolarHBondContact O-N 3.45Å; E361-E365 PolarHBondContact O-N 3.43Å; E361-V369 HydrophobicContact CB-CG2 4.27Å; E361-K373 VanDerWaalsContact CD-NZ 3.32Å; E361-K373 WeakPolarHBondContact OE1-CE 3.22Å; E361-K373 IonicContact OE1-NZ 2.87Å; E361-K373 PolarHBondContact OE1-NZ 3.38Å; E361-K373 IonicContact OE2-NZ 2.78Å; E361-K373 PolarHBondContact OE2-NZ 3.42Å; E361-K373 VanDerWaalsContact OE2-NZ 3.09Å
362Y95.7Very high91.8Very high20 Ų2069.1 Ų69.18%0.07832%0.321CS..Hα-helixtrans-63.6-45.5175.9179.6-95.5000112.1A125 E126 F129 E130 S358 K359 S364 E365 G366 V369A125-Y362 HydrophobicContact CB-CE2 4.24Å; E126-Y362 WeakPolarHBondContact CA-OH 3.12Å; F129-Y362 HydrophobicContact CB-CD1 3.69Å; F129-Y362 HydrophobicContact CB-CE1 3.82Å; F129-Y362 HydrophobicContact CB-CG 4.3Å; F129-Y362 AromaticContact CD2-CD1 3.64Å; F129-Y362 HydrophobicContact CD2-CD1 3.64Å; F129-Y362 AromaticContact CD2-CD2 3.5Å; F129-Y362 HydrophobicContact CD2-CD2 3.5Å; F129-Y362 VanDerWaalsContact CD2-CD2 3.5Å; F129-Y362 HydrophobicContact CD2-CE1 4.08Å; F129-Y362 AromaticContact CD2-CE2 3.95Å; F129-Y362 HydrophobicContact CD2-CE2 3.95Å; F129-Y362 AromaticContact CD2-CG 3.32Å; F129-Y362 HydrophobicContact CD2-CG 3.32Å; F129-Y362 HydrophobicContact CE2-CD1 4.4Å; F129-Y362 AromaticContact CE2-CD2 3.71Å; F129-Y362 HydrophobicContact CE2-CD2 3.71Å; F129-Y362 HydrophobicContact CE2-CE2 4.48Å; F129-Y362 AromaticContact CE2-CG 3.66Å; F129-Y362 HydrophobicContact CE2-CG 3.66Å; F129-Y362 AromaticContact CG-CD1 3.77Å; F129-Y362 HydrophobicContact CG-CD1 3.77Å; F129-Y362 HydrophobicContact CG-CD2 4.44Å; F129-Y362 HydrophobicContact CG-CE1 4.27Å; F129-Y362 AromaticContact CG-CG 3.86Å; F129-Y362 HydrophobicContact CG-CG 3.86Å; F129-Y362 HydrophobicContact CZ-CG 4.43Å; E130-Y362 HydrophobicContact CG-CE1 4.31Å; E130-Y362 PolarHBondContact OE1-OH 2.93Å; E130-Y362 VanDerWaalsContact OE1-OH 3.13Å; S358-Y362 PolarHBondContact O-N 3.45Å; K359-Y362 CarbonylContact O-C 3.36Å; K359-Y362 WeakPolarHBondContact O-CB 3.13Å; K359-Y362 PolarHBondContact O-N 2.71Å; Y362-S364 PolarHBondContact O-N 3.27Å; Y362-E365 PolarHBondContact O-N 3.24Å; Y362-G366 WeakPolarHBondContact O-CA 3.3Å; Y362-G366 PolarHBondContact O-N 3.32Å; Y362-V369 HydrophobicContact CD2-CG1 4.43Å
363D95.6Very high91.6Very high109 Ų10970.9 Ų70.958%0.58333%0.328SS*.Hα-helixtrans-62.9-29178.7-65.2-20000112.1K359K359-D363 WeakPolarHBondContact O-CB 3.48Å; K359-D363 PolarHBondContact O-N 2.94Å
364S94.9Very high91.2Very high97 Ų9766.7 Ų66.768%0.67831%0.311SS*.Hα-helixtrans-84-40.2-178.7-58.30000113.3R360 E361 Y362R360-S364 WeakPolarHBondContact O-CB 3.42Å; R360-S364 PolarHBondContact O-N 3Å; R360-S364 PolarHBondContact O-OG 3.01Å; E361-S364 PolarHBondContact O-N 3.45Å; Y362-S364 PolarHBondContact O-N 3.27Å
365E93.8Very high89.8Confident73 Ų7364.9 Ų64.934%0.34132%0.316SS..Hα-helixtrans-110.8-10.4-172.8-63.4-170.3-133.200113.9E361 Y362 R368 V369 R372E361-E365 PolarHBondContact O-N 3.43Å; Y362-E365 PolarHBondContact O-N 3.24Å; E365-R368 PolarHBondContact O-N 3.19Å; E365-V369 HydrophobicContact CB-CB 4.15Å; E365-R372 IonicContact OE1-CZ 3.32Å; E365-R372 VanDerWaalsContact OE1-CZ 3.28Å; E365-R372 IonicContact OE1-NH1 2.8Å; E365-R372 PolarHBondContact OE1-NH1 3.19Å; E365-R372 IonicContact OE1-NH2 3.28Å; E365-R372 PolarHBondContact OE1-NH2 2.83Å; E365-R372 IonicContact OE2-CZ 3.74Å; E365-R372 IonicContact OE2-NH1 3.6Å; E365-R372 PolarHBondContact OE2-NH1 3.04Å; E365-R372 IonicContact OE2-NH2 3.41Å
366G93.1Very high89.8Confident26 Ų2664.3 Ų64.327%0.26831%0.312SS..THydrogen-bonded Turntrans57.6-147.8-170.200000112.4Y362 R368 V369Y362-G366 WeakPolarHBondContact O-CA 3.3Å; Y362-G366 PolarHBondContact O-N 3.32Å; G366-R368 PolarHBondContact O-N 2.66Å; G366-V369 WeakPolarHBondContact O-CG1 3.18Å; G366-V369 PolarHBondContact O-N 2.94Å
367A92.2Very high89.7Confident30 Ų3067 Ų6725%0.24833%0.326CS..THydrogen-bonded Turntrans-54.9-20.3177.500000115.4E122 V369 L370 H371E122-A367 HydrophobicContact CB-CB 4.2Å; E122-A367 HydrophobicContact CG-CB 3.72Å; A367-V369 PolarHBondContact O-N 3.31Å; A367-L370 HydrophobicContact CB-CD1 4.49Å; A367-L370 WeakPolarHBondContact O-CB 3.3Å; A367-L370 PolarHBondContact O-N 3.44Å; A367-H371 PolarHBondContact O-CD2 3.05Å
368R92.5Very high89.4Confident200 Ų20070.7 Ų70.776%0.75535%0.345SS*.Hα-helixtrans-63.2-31.1-177.3-65-178.5-178.4169.52112.8E365 G366 L370 H371 R372E365-R368 PolarHBondContact O-N 3.19Å; G366-R368 PolarHBondContact O-N 2.66Å; R368-L370 PolarHBondContact O-N 3.15Å; R368-H371 PolarHBondContact O-N 3.05Å; R368-R372 PolarHBondContact O-N 3.45Å
369V92.9Very high89.1Confident0 Ų072.7 Ų72.70%035%0.35CS..Hα-helixtrans-61.9-33.7179.273.70000112.2I357 E361 Y362 E365 G366 A367 H371 R372 K373I357-V369 HydrophobicContact CD1-CG1 4.31Å; I357-V369 HydrophobicContact CG1-CG1 4.48Å; I357-V369 HydrophobicContact CG1-CG2 4.32Å; I357-V369 HydrophobicContact CG2-CB 4.45Å; I357-V369 HydrophobicContact CG2-CG1 3.5Å; I357-V369 VanDerWaalsContact CG2-CG1 3.5Å; I357-V369 HydrophobicContact CG2-CG2 4.07Å; E361-V369 HydrophobicContact CB-CG2 4.27Å; Y362-V369 HydrophobicContact CD2-CG1 4.43Å; E365-V369 HydrophobicContact CB-CB 4.15Å; G366-V369 WeakPolarHBondContact O-CG1 3.18Å; G366-V369 PolarHBondContact O-N 2.94Å; A367-V369 PolarHBondContact O-N 3.31Å; V369-H371 PolarHBondContact O-N 3.07Å; V369-R372 PolarHBondContact O-N 2.94Å; V369-K373 PolarHBondContact O-N 2.87Å; V369-K373 VanDerWaalsContact O-N 3.13Å
370L91.6Very high88.7Confident0 Ų073.3 Ų73.30%035%0.354CS..Hα-helixtrans-62.3-45.3177.7-62.5160000110.3E122 A125 L137 I139 I357 A367 R368 R372 K373 L374E122-L370 HydrophobicContact CG-CD1 4.37Å; A125-L370 HydrophobicContact CB-CD1 3.49Å; A125-L370 VanDerWaalsContact CB-CD1 3.49Å; A125-L370 HydrophobicContact CB-CD2 3.83Å; A125-L370 HydrophobicContact CB-CG 4.22Å; L137-L370 HydrophobicContact CD2-CD2 4.13Å; I139-L370 HydrophobicContact CD1-CD2 4.41Å; I357-L370 HydrophobicContact CD1-CD2 3.55Å; I357-L370 HydrophobicContact CD1-CG 4.28Å; A367-L370 HydrophobicContact CB-CD1 4.49Å; A367-L370 WeakPolarHBondContact O-CB 3.3Å; A367-L370 PolarHBondContact O-N 3.44Å; R368-L370 PolarHBondContact O-N 3.15Å; L370-R372 VanDerWaalsContact C-N 3.31Å; L370-R372 PolarHBondContact O-N 3.1Å; L370-K373 PolarHBondContact O-N 2.81Å; L370-L374 HydrophobicContact CB-CD1 4.24Å; L370-L374 HydrophobicContact CD2-CD1 3.97Å; L370-L374 WeakPolarHBondContact O-CB 3.27Å; L370-L374 VanDerWaalsContact O-CG 3.29Å; L370-L374 WeakPolarHBondContact O-CG 3.49Å; L370-L374 PolarHBondContact O-N 3.17Å
371H89.2Confident88.4Confident39 Ų3968 Ų6818%0.18134%0.34CS..Hα-helixtrans-70.9-27.9-178.3-56.4-56000112.8E122 A367 R368 V369 L375E122-H371 IonicContact OE1-CD2 2.77Å; E122-H371 IonicContact OE1-CE1 3.25Å; E122-H371 PolarHBondContact OE1-CE1 3.35Å; E122-H371 IonicContact OE1-NE2 3.47Å; E122-H371 PolarHBondContact OE1-NE2 3.19Å; A367-H371 PolarHBondContact O-CD2 3.05Å; R368-H371 PolarHBondContact O-N 3.05Å; V369-H371 PolarHBondContact O-N 3.07Å; H371-L375 HydrophobicContact CB-CD1 4.15Å; H371-L375 WeakPolarHBondContact O-CB 3.44Å; H371-L375 WeakPolarHBondContact O-CD1 3.48Å; H371-L375 WeakPolarHBondContact O-CG 3.39Å
372R85.9Confident88Confident136 Ų13669.2 Ų69.251%0.51335%0.347SS..Hα-helixtrans-76.3-37.4177.2-173.9-177.468.1-152.8-2.9112.8E365 R368 V369 L370E365-R372 IonicContact OE1-CZ 3.32Å; E365-R372 VanDerWaalsContact OE1-CZ 3.28Å; E365-R372 IonicContact OE1-NH1 2.8Å; E365-R372 PolarHBondContact OE1-NH1 3.19Å; E365-R372 IonicContact OE1-NH2 3.28Å; E365-R372 PolarHBondContact OE1-NH2 2.83Å; E365-R372 IonicContact OE2-CZ 3.74Å; E365-R372 IonicContact OE2-NH1 3.6Å; E365-R372 PolarHBondContact OE2-NH1 3.04Å; E365-R372 IonicContact OE2-NH2 3.41Å; R368-R372 PolarHBondContact O-N 3.45Å; V369-R372 PolarHBondContact O-N 2.94Å; L370-R372 VanDerWaalsContact C-N 3.31Å; L370-R372 PolarHBondContact O-N 3.1Å
373K82.7Confident87.4Confident47 Ų4773 Ų7320%0.20437%0.367CS..Hα-helixtrans-94.7-20.8-174.9-72.8-160.7-174.8177.60114.4W356 I357 E361 V369 L370W356-K373 PolarHBondContact O-NZ 2.79Å; I357-K373 HydrophobicContact CG1-CB 4.46Å; I357-K373 HydrophobicContact CG1-CD 3.87Å; E361-K373 VanDerWaalsContact CD-NZ 3.32Å; E361-K373 WeakPolarHBondContact OE1-CE 3.22Å; E361-K373 IonicContact OE1-NZ 2.87Å; E361-K373 PolarHBondContact OE1-NZ 3.38Å; E361-K373 IonicContact OE2-NZ 2.78Å; E361-K373 PolarHBondContact OE2-NZ 3.42Å; E361-K373 VanDerWaalsContact OE2-NZ 3.09Å; V369-K373 PolarHBondContact O-N 2.87Å; V369-K373 VanDerWaalsContact O-N 3.13Å; L370-K373 PolarHBondContact O-N 2.81Å
374L74.8Confident86.7Confident34 Ų3470 Ų7018%0.17835%0.349CS..  trans-111.8-0.3-172.9-53.1175.3000114.1Y138 I139 I357 L370Y138-L374 HydrophobicContact CD2-CD2 3.78Å; Y138-L374 HydrophobicContact CE2-CD2 3.42Å; Y138-L374 VanDerWaalsContact CE2-CD2 3.42Å; I139-L374 HydrophobicContact CB-CD1 4.01Å; I139-L374 WeakPolarHBondContact O-CD2 3.17Å; I357-L374 HydrophobicContact CD1-CD1 4.44Å; L370-L374 HydrophobicContact CB-CD1 4.24Å; L370-L374 HydrophobicContact CD2-CD1 3.97Å; L370-L374 WeakPolarHBondContact O-CB 3.27Å; L370-L374 VanDerWaalsContact O-CG 3.29Å; L370-L374 WeakPolarHBondContact O-CG 3.49Å; L370-L374 PolarHBondContact O-N 3.17Å
375L56.7Low85.9Confident158 Ų15867.5 Ų67.583%0.82732%0.32SS*.  trans-105.20165.9-64.5173.2000108.2H371H371-L375 HydrophobicContact CB-CD1 4.15Å; H371-L375 WeakPolarHBondContact O-CB 3.44Å; H371-L375 WeakPolarHBondContact O-CD1 3.48Å; H371-L375 WeakPolarHBondContact O-CG 3.39Å

Retrieved 375 of 375 residues in 103.3 ms (Link to these results)

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