A0A5K4FB65_SCHMA Loading...

BACK domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 601 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
1M36.6Very low43Very low208 Ų208115.8 Ų115.8100%1.02563%0.633SS**  069.20-59.1-174.5-155.900107.1
2S34.6Very low44.5Very low101 Ų101109.9 Ų109.971%0.70660%0.598SS**  cis57.687.536.368.60000113.9
3D38.5Very low46.1Very low142 Ų142104.9 Ų104.976%0.75957%0.566SS**  trans7257.5144.2-50-30.5000120.1
4C33.8Very low47.5Very low97 Ų9799.9 Ų99.966%0.65554%0.538SS*.  trans-100.782.4159.1-151.10000110.8F6C4-F6 PolarHBondContact O-N 3.46Å
5F44.2Very low49.3Very low159 Ų15996.9 Ų96.970%0.69752%0.522SS*.G310 helixtrans-63.8-17.2175.2-96-91.3000113.7I7 S8F5-I7 VanDerWaalsContact C-N 3.29Å; F5-I7 PolarHBondContact O-N 3.45Å; F5-S8 PolarHBondContact O-N 2.97Å; F5-S8 PolarHBondContact O-OG 3.2Å
6F39Very low51.6Low172 Ų17297 Ų9775%0.75452%0.522SS*.G310 helixtrans-67.7-23.3-172.9-135-93.7000114.4C4 T9C4-F6 PolarHBondContact O-N 3.46Å; F6-T9 PolarHBondContact O-OG1 3.36Å; F6-T9 VanDerWaalsContact O-OG1 3.06Å
7I43Very low53.7Low52 Ų5292.1 Ų92.127%0.26749%0.494SS..G310 helixtrans-77.7-24.2178.1-67175.1000111.3F5 T9 L63F5-I7 VanDerWaalsContact C-N 3.29Å; F5-I7 PolarHBondContact O-N 3.45Å; I7-T9 VanDerWaalsContact C-N 3.35Å; I7-T9 PolarHBondContact O-N 3.38Å; I7-L63 HydrophobicContact CB-CD1 4.46Å; I7-L63 HydrophobicContact CG1-CD1 4.26Å; I7-L63 HydrophobicContact CG2-CD1 3.75Å; I7-L63 HydrophobicContact CG2-CG 3.84Å
8S43.3Very low55.8Low86 Ų8694.3 Ų94.360%0.60150%0.498SS*.SBendtrans-80.9-10.4-176.971.20000114.8F5F5-S8 PolarHBondContact O-N 2.97Å; F5-S8 PolarHBondContact O-OG 3.2Å
9T47.2Very low57.6Low100 Ų10089.3 Ų89.361%0.61347%0.472SS*.SBendtrans-99.9-17.3-170.943.20000115.3F6 I7 P11F6-T9 PolarHBondContact O-OG1 3.36Å; F6-T9 VanDerWaalsContact O-OG1 3.06Å; I7-T9 VanDerWaalsContact C-N 3.35Å; I7-T9 PolarHBondContact O-N 3.38Å; T9-P11 WeakPolarHBondContact O-CD 3.45Å
10L52.3Low59.3Low106 Ų10686.4 Ų86.456%0.55546%0.456SS*.SBendtrans-80.7122.6164.6-94.2147.2000106.9E12 L14L10-E12 PolarHBondContact O-N 2.76Å; L10-L14 HydrophobicContact CB-CD1 4.47Å; L10-L14 HydrophobicContact CD2-CD1 3.35Å; L10-L14 HydrophobicContact CG-CD1 4.49Å
11P60.4Low60.8Low51 Ų5182.2 Ų82.233%0.33143%0.434SS..  trans-56.1109.4171.2-5.65.5000108.9T9 Y13 L14T9-P11 WeakPolarHBondContact O-CD 3.45Å; P11-Y13 HydrophobicContact CB-CD1 3.49Å; P11-Y13 VanDerWaalsContact CB-CD1 3.49Å; P11-Y13 HydrophobicContact CB-CD2 4.17Å; P11-Y13 HydrophobicContact CB-CE1 3.02Å; P11-Y13 HydrophobicContact CB-CE2 3.72Å; P11-Y13 HydrophobicContact CB-CG 4.06Å; P11-Y13 WeakPolarHBondContact CB-OH 3.44Å; P11-Y13 HydrophobicContact CG-CE1 4.01Å; P11-Y13 HydrophobicContact CG-CE2 4.2Å; P11-Y13 WeakPolarHBondContact CG-OH 3.41Å; P11-Y13 PolarHBondContact O-N 3.2Å; P11-L14 HydrophobicContact CB-CD1 4.24Å; P11-L14 HydrophobicContact CB-CG 4.31Å; P11-L14 HydrophobicContact CG-CD1 3.8Å; P11-L14 HydrophobicContact CG-CG 4.29Å; P11-L14 VanDerWaalsContact O-CB 3.29Å; P11-L14 WeakPolarHBondContact O-CB 3.5Å; P11-L14 WeakPolarHBondContact O-CD1 3.35Å; P11-L14 WeakPolarHBondContact O-CG 3.48Å; P11-L14 PolarHBondContact O-N 3.17Å
12E61.6Low63.4Low45 Ų4574.8 Ų74.821%0.2140%0.399CS..G310 helixtrans-64.9-6.8-167.9-61.4-178.3127.800113.7L10 L14 R49L10-E12 PolarHBondContact O-N 2.76Å; E12-L14 PolarHBondContact O-N 3.32Å; E12-R49 HydrophobicContact CB-CG 4.01Å; E12-R49 IonicContact OE1-CZ 3.87Å; E12-R49 IonicContact OE1-NE 3.98Å; E12-R49 IonicContact OE1-NH2 2.91Å; E12-R49 PolarHBondContact OE1-NH2 2.86Å; E12-R49 IonicContact OE2-CZ 3.32Å; E12-R49 VanDerWaalsContact OE2-CZ 3.32Å; E12-R49 IonicContact OE2-NE 2.73Å; E12-R49 PolarHBondContact OE2-NE 2.92Å; E12-R49 IonicContact OE2-NH2 3.04Å; E12-R49 PolarHBondContact OE2-NH2 2.95Å
13Y64.9Low66Low45 Ų4574.8 Ų74.818%0.17639%0.391CS..G310 helixtrans-64.1-9166.161.4-111.6000114.2P11 L15 G31 A35 K42 I46P11-Y13 HydrophobicContact CB-CD1 3.49Å; P11-Y13 VanDerWaalsContact CB-CD1 3.49Å; P11-Y13 HydrophobicContact CB-CD2 4.17Å; P11-Y13 HydrophobicContact CB-CE1 3.02Å; P11-Y13 HydrophobicContact CB-CE2 3.72Å; P11-Y13 HydrophobicContact CB-CG 4.06Å; P11-Y13 WeakPolarHBondContact CB-OH 3.44Å; P11-Y13 HydrophobicContact CG-CE1 4.01Å; P11-Y13 HydrophobicContact CG-CE2 4.2Å; P11-Y13 WeakPolarHBondContact CG-OH 3.41Å; P11-Y13 PolarHBondContact O-N 3.2Å; Y13-L15 VanDerWaalsContact C-N 3.28Å; Y13-L15 PolarHBondContact O-N 3.36Å; Y13-G31 CarbonylContact O-C 3.53Å; Y13-A35 HydrophobicContact CD2-CB 3.6Å; Y13-A35 HydrophobicContact CE2-CB 3.84Å; Y13-K42 WeakPolarHBondContact OH-CE 3.19Å; Y13-I46 HydrophobicContact CD1-CD1 4.16Å; Y13-I46 HydrophobicContact CD1-CG1 3.64Å; Y13-I46 HydrophobicContact CE1-CD1 4.26Å; Y13-I46 HydrophobicContact CE1-CG1 4.23Å; Y13-I46 HydrophobicContact CG-CG1 4.37Å
14L66.3Low68.1Low35 Ų3574.3 Ų74.318%0.18339%0.388CS..G310 helixtrans-76.3-9.4-178.8-65.5172000114.2L10 P11 E12 Y32L10-L14 HydrophobicContact CB-CD1 4.47Å; L10-L14 HydrophobicContact CD2-CD1 3.35Å; L10-L14 HydrophobicContact CG-CD1 4.49Å; P11-L14 HydrophobicContact CB-CD1 4.24Å; P11-L14 HydrophobicContact CB-CG 4.31Å; P11-L14 HydrophobicContact CG-CD1 3.8Å; P11-L14 HydrophobicContact CG-CG 4.29Å; P11-L14 VanDerWaalsContact O-CB 3.29Å; P11-L14 WeakPolarHBondContact O-CB 3.5Å; P11-L14 WeakPolarHBondContact O-CD1 3.35Å; P11-L14 WeakPolarHBondContact O-CG 3.48Å; P11-L14 PolarHBondContact O-N 3.17Å; E12-L14 PolarHBondContact O-N 3.32Å; L14-Y32 HydrophobicContact CD2-CD2 2.95Å; L14-Y32 HydrophobicContact CD2-CE2 3.78Å; L14-Y32 HydrophobicContact CD2-CG 3.43Å; L14-Y32 VanDerWaalsContact CD2-CG 3.43Å; L14-Y32 HydrophobicContact CG-CD2 4.42Å; L14-Y32 PolarHBondContact O-N 2.73Å
15L74.6Confident70.5Confident55 Ų5573.1 Ų73.129%0.28837%0.373SS..SBendtrans-74.3135.8-175.2-62.1171.5000113Y13 L63 L68Y13-L15 VanDerWaalsContact C-N 3.28Å; Y13-L15 PolarHBondContact O-N 3.36Å; L15-L63 HydrophobicContact CD1-CD2 3.97Å; L15-L68 HydrophobicContact CB-CD1 4.31Å; L15-L68 HydrophobicContact CB-CD2 4.49Å; L15-L68 HydrophobicContact CD1-CD2 3.94Å
16D85.5Confident72.7Confident98 Ų9870.7 Ų70.752%0.52437%0.366SS..  trans-60.4139.9171.3-680000110.5I29 N30D16-I29 WeakPolarHBondContact CA-O 3.19Å; D16-N30 WeakPolarHBondContact OD1-CA 3.39Å; D16-N30 VanDerWaalsContact OD1-CG 3.28Å; D16-N30 PolarHBondContact OD1-ND2 3.01Å
17R87.5Confident75Confident13 Ų1365.3 Ų65.35%0.04934%0.343CS..EExtended strand (participates in β ladder)trans-153.6163.1-17758.4-17670.4-141.35.5111.7L19 I29 E52 Q69 F71R17-L19 PolarHBondContact O-N 3.04Å; R17-I29 HydrophobicContact CG-CD1 4.4Å; R17-I29 HydrophobicContact CG-CG1 4.35Å; R17-I29 PolarHBondContact N-O 3.17Å; R17-I29 VanDerWaalsContact N-O 3.11Å; R17-I29 WeakPolarHBondContact O-CG1 3.48Å; R17-I29 PolarHBondContact O-N 2.71Å; R17-I29 VanDerWaalsContact O-N 3.08Å; R17-E52 IonicContact CZ-OE1 3.99Å; R17-E52 IonicContact NH1-OE1 3.02Å; R17-E52 PolarHBondContact NH1-OE1 2.98Å; R17-Q69 PolarHBondContact NH1-O 3.24Å; R17-F71 HydrophobicContact CG-CB 4.29Å
18K90.4Very high77.2Confident132 Ų13268.2 Ų68.257%0.57437%0.368SS*.EExtended strand (participates in β ladder)trans-72.6125.3169.6-70-175.7178.6-179.50109.4I26 H27 P70 F71K18-I26 HydrophobicContact CB-CG2 4.34Å; K18-I26 HydrophobicContact CD-CG2 4.16Å; K18-I26 HydrophobicContact CG-CG2 4.36Å; K18-H27 CarbonylContact C-O 3.48Å; K18-H27 WeakPolarHBondContact CA-O 3.44Å; K18-P70 HydrophobicContact CB-CB 4.4Å; K18-P70 CarbonylContact O-C 3.5Å; K18-P70 VanDerWaalsContact O-CA 3.25Å; K18-P70 WeakPolarHBondContact O-CA 3.23Å; K18-F71 PolarHBondContact O-N 3.41Å
19L91.1Very high79.3Confident0 Ų064.5 Ų64.50%034%0.341CS..EExtended strand (participates in β ladder)trans-88.9134.2164.6-176.986.5000108.8R17 I21 I26 H27 I29 F71 I73 L85R17-L19 PolarHBondContact O-N 3.04Å; L19-I21 HydrophobicContact CD2-CD1 3.91Å; L19-I21 HydrophobicContact CD2-CG1 3.67Å; L19-I21 HydrophobicContact CG-CG1 4.25Å; L19-I26 CarbonylContact O-C 3.57Å; L19-I26 WeakPolarHBondContact O-CA 3.42Å; L19-H27 HydrophobicContact CB-CB 4.24Å; L19-H27 HydrophobicContact CD2-CB 4.36Å; L19-H27 PolarHBondContact N-O 3.48Å; L19-H27 PolarHBondContact O-N 3.03Å; L19-I29 HydrophobicContact CB-CD1 3.8Å; L19-I29 HydrophobicContact CB-CG1 3.89Å; L19-I29 HydrophobicContact CB-CG2 3.99Å; L19-I29 HydrophobicContact CD1-CD1 3.85Å; L19-I29 HydrophobicContact CD2-CG2 4.43Å; L19-I29 HydrophobicContact CG-CD1 4.39Å; L19-F71 CarbonylContact C-O 3.52Å; L19-F71 VanDerWaalsContact CA-O 3.28Å; L19-F71 WeakPolarHBondContact CA-O 3.5Å; L19-F71 HydrophobicContact CD1-CB 4.27Å; L19-F71 HydrophobicContact CD1-CD1 3.4Å; L19-F71 HydrophobicContact CD1-CE1 4.02Å; L19-F71 HydrophobicContact CD1-CG 4.11Å; L19-F71 WeakPolarHBondContact CD1-O 3.32Å; L19-I73 HydrophobicContact CD1-CD1 3.56Å; L19-I73 HydrophobicContact CD1-CG1 3.87Å; L19-L85 HydrophobicContact CD2-CD1 3.31Å; L19-L85 HydrophobicContact CD2-CD2 4.16Å; L19-L85 HydrophobicContact CD2-CG 4.38Å
20I91.8Very high81.4Confident30 Ų3061.9 Ų61.915%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-120117.3172.5-53.9179000108.9N23 H25 I26 P70 F71 I72 I73I20-N23 VanDerWaalsContact CG2-CA 3.48Å; I20-H25 CarbonylContact C-O 3.55Å; I20-H25 WeakPolarHBondContact CA-O 3.19Å; I20-I26 HydrophobicContact CG1-CG1 4.36Å; I20-P70 HydrophobicContact CD1-CB 3.51Å; I20-P70 HydrophobicContact CD1-CG 3.78Å; I20-P70 HydrophobicContact CG1-CB 3.87Å; I20-F71 PolarHBondContact N-O 2.91Å; I20-I72 HydrophobicContact CB-CG1 4.39Å; I20-I72 WeakPolarHBondContact O-CA 3.33Å; I20-I73 PolarHBondContact O-N 2.98Å
21I91.3Very high83Confident0 Ų056.8 Ų56.80%030%0.297CS..EExtended strand (participates in β ladder)trans-98.1124.6177.1-48.3166.2000109.2L19 N23 N24 H25 I73 I78 L81 E82 L85L19-I21 HydrophobicContact CD2-CD1 3.91Å; L19-I21 HydrophobicContact CD2-CG1 3.67Å; L19-I21 HydrophobicContact CG-CG1 4.25Å; I21-N23 PolarHBondContact O-N 3.03Å; I21-N23 VanDerWaalsContact O-N 3.12Å; I21-N24 PolarHBondContact O-N 3.21Å; I21-N24 VanDerWaalsContact O-N 3.16Å; I21-H25 HydrophobicContact CB-CB 4.09Å; I21-H25 PolarHBondContact N-O 3.24Å; I21-H25 PolarHBondContact O-N 2.99Å; I21-H25 VanDerWaalsContact O-N 3.07Å; I21-I73 VanDerWaalsContact CA-O 3.31Å; I21-I73 WeakPolarHBondContact CA-O 3.4Å; I21-I78 HydrophobicContact CG2-CG1 4.27Å; I21-L81 HydrophobicContact CB-CD2 4.49Å; I21-L81 HydrophobicContact CD1-CD2 3.78Å; I21-L81 HydrophobicContact CD1-CG 4.06Å; I21-L81 HydrophobicContact CG1-CD2 3.94Å; I21-L81 HydrophobicContact CG2-CD2 3.75Å; I21-E82 HydrophobicContact CD1-CG 4.33Å; I21-L85 HydrophobicContact CD1-CD1 3.93Å
22N90.3Very high84.3Confident51 Ų5160.1 Ų60.127%0.27330%0.304SS..THydrogen-bonded Turntrans48.338.1-179.6-61.3-22000113.5N24 I73 H74 Y75N22-N24 PolarHBondContact O-N 3.17Å; N22-N24 VanDerWaalsContact O-N 3.07Å; N22-I73 PolarHBondContact N-O 2.86Å; N22-H74 VanDerWaalsContact OD1-CA 3.28Å; N22-H74 WeakPolarHBondContact OD1-CA 3.35Å; N22-Y75 PolarHBondContact ND2-O 3.43Å; N22-Y75 PolarHBondContact OD1-N 3.35Å; N22-Y75 PolarHBondContact OD1-O 3.45Å
23N88.1Confident85.8Confident101 Ų10162.2 Ų62.254%0.5431%0.312SS..THydrogen-bonded Turntrans64.20.2179.7-58.5-17.9000117.1I20 I21 H74I20-N23 VanDerWaalsContact CG2-CA 3.48Å; I21-N23 PolarHBondContact O-N 3.03Å; I21-N23 VanDerWaalsContact O-N 3.12Å; N23-H74 PolarHBondContact OD1-CE1 2.77Å
24N84.3Confident87Confident132 Ų13260 Ų6071%0.70630%0.304SS*.THydrogen-bonded Turntrans-124.3-36.1-174.3-70.6-5.7000114.2I21 N22I21-N24 PolarHBondContact O-N 3.21Å; I21-N24 VanDerWaalsContact O-N 3.16Å; N22-N24 PolarHBondContact O-N 3.17Å; N22-N24 VanDerWaalsContact O-N 3.07Å
25H84.5Confident88.2Confident73 Ų7358.7 Ų58.734%0.33830%0.298SS..EExtended strand (participates in β ladder)trans-93.9112.1-174.5-62.4-97.8000110.4I20 I21 I78I20-H25 CarbonylContact C-O 3.55Å; I20-H25 WeakPolarHBondContact CA-O 3.19Å; I21-H25 HydrophobicContact CB-CB 4.09Å; I21-H25 PolarHBondContact N-O 3.24Å; I21-H25 PolarHBondContact O-N 2.99Å; I21-H25 VanDerWaalsContact O-N 3.07Å; H25-I78 WeakPolarHBondContact NE2-CD1 3.25Å
26I88.9Confident88.9Confident107 Ų10763.7 Ų63.755%0.54932%0.317SS..EExtended strand (participates in β ladder)trans-102.3126.6-175.2-53.2178.4000109.7K18 L19 I20K18-I26 HydrophobicContact CB-CG2 4.34Å; K18-I26 HydrophobicContact CD-CG2 4.16Å; K18-I26 HydrophobicContact CG-CG2 4.36Å; L19-I26 CarbonylContact O-C 3.57Å; L19-I26 WeakPolarHBondContact O-CA 3.42Å; I20-I26 HydrophobicContact CG1-CG1 4.36Å
27H87.7Confident89.3Confident60 Ų6060.6 Ų60.628%0.27830%0.303SS..EExtended strand (participates in β ladder)trans-128.5145.6177.3-68-91.7000110.1K18 L19 I29 E82K18-H27 CarbonylContact C-O 3.48Å; K18-H27 WeakPolarHBondContact CA-O 3.44Å; L19-H27 HydrophobicContact CB-CB 4.24Å; L19-H27 HydrophobicContact CD2-CB 4.36Å; L19-H27 PolarHBondContact N-O 3.48Å; L19-H27 PolarHBondContact O-N 3.03Å; H27-I29 HydrophobicContact CB-CG2 4.42Å; H27-E82 IonicContact CE1-OE1 2.77Å; H27-E82 PolarHBondContact CE1-OE1 2.84Å; H27-E82 IonicContact NE2-OE1 2.95Å; H27-E82 PolarHBondContact NE2-OE1 3.4Å
28S88.4Confident89.6Confident112 Ų11260.2 Ų60.278%0.78330%0.302SS*.EExtended strand (participates in β ladder)trans-91.3123.6169.3-63.50000108.7
29I88.2Confident89.6Confident9 Ų958 Ų585%0.04630%0.296CS..EExtended strand (participates in β ladder)trans-127.6151-174.856.2159.4000111.8D16 R17 L19 H27 L34 F71D16-I29 WeakPolarHBondContact CA-O 3.19Å; R17-I29 HydrophobicContact CG-CD1 4.4Å; R17-I29 HydrophobicContact CG-CG1 4.35Å; R17-I29 PolarHBondContact N-O 3.17Å; R17-I29 VanDerWaalsContact N-O 3.11Å; R17-I29 WeakPolarHBondContact O-CG1 3.48Å; R17-I29 PolarHBondContact O-N 2.71Å; R17-I29 VanDerWaalsContact O-N 3.08Å; L19-I29 HydrophobicContact CB-CD1 3.8Å; L19-I29 HydrophobicContact CB-CG1 3.89Å; L19-I29 HydrophobicContact CB-CG2 3.99Å; L19-I29 HydrophobicContact CD1-CD1 3.85Å; L19-I29 HydrophobicContact CD2-CG2 4.43Å; L19-I29 HydrophobicContact CG-CD1 4.39Å; H27-I29 HydrophobicContact CB-CG2 4.42Å; I29-L34 HydrophobicContact CB-CD1 4.14Å; I29-L34 HydrophobicContact CD1-CD1 3.83Å; I29-L34 HydrophobicContact CD1-CD2 3.82Å; I29-L34 HydrophobicContact CD1-CG 4.39Å; I29-L34 HydrophobicContact CG2-CD1 4.35Å; I29-F71 HydrophobicContact CD1-CD1 4.05Å
30N90.3Very high89.7Confident44 Ų4459.9 Ų59.924%0.23531%0.306CS..  trans-87.2114.1172.3-177.6-80.5000110.5D16 Y32 K33 L34 H89D16-N30 WeakPolarHBondContact OD1-CA 3.39Å; D16-N30 VanDerWaalsContact OD1-CG 3.28Å; D16-N30 PolarHBondContact OD1-ND2 3.01Å; N30-Y32 VanDerWaalsContact C-N 3.26Å; N30-Y32 PolarHBondContact O-N 2.94Å; N30-Y32 VanDerWaalsContact OD1-CB 3.31Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.28Å; N30-Y32 PolarHBondContact OD1-N 3.25Å; N30-K33 HydrophobicContact CB-CB 4.25Å; N30-K33 HydrophobicContact CB-CD 4.32Å; N30-K33 HydrophobicContact CB-CG 4.24Å; N30-K33 PolarHBondContact O-N 3.27Å; N30-K33 PolarHBondContact OD1-N 3.45Å; N30-L34 PolarHBondContact O-N 3.06Å; N30-L34 VanDerWaalsContact O-N 3.12Å; N30-H89 PolarHBondContact N-NE2 2.64Å
31G87.5Confident89.7Confident0 Ų058.5 Ų58.50%030%0.298CS..Hα-helixtrans-60.2-37-175.500000112.4Y13 A35Y13-G31 CarbonylContact O-C 3.53Å; G31-A35 WeakPolarHBondContact O-CB 3.37Å; G31-A35 PolarHBondContact O-N 2.84Å
32Y87.9Confident89.6Confident120 Ų12061.9 Ų61.947%0.47131%0.313SS..Hα-helixtrans-63.9-51.7175.9175.6-133000113.2L14 N30 L34 A35 K36L14-Y32 HydrophobicContact CD2-CD2 2.95Å; L14-Y32 HydrophobicContact CD2-CE2 3.78Å; L14-Y32 HydrophobicContact CD2-CG 3.43Å; L14-Y32 VanDerWaalsContact CD2-CG 3.43Å; L14-Y32 HydrophobicContact CG-CD2 4.42Å; L14-Y32 PolarHBondContact O-N 2.73Å; N30-Y32 VanDerWaalsContact C-N 3.26Å; N30-Y32 PolarHBondContact O-N 2.94Å; N30-Y32 VanDerWaalsContact OD1-CB 3.31Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.28Å; N30-Y32 PolarHBondContact OD1-N 3.25Å; Y32-L34 VanDerWaalsContact C-N 3.26Å; Y32-L34 PolarHBondContact O-N 3.32Å; Y32-A35 PolarHBondContact O-N 3.15Å; Y32-K36 HydrophobicContact CD2-CB 4.44Å; Y32-K36 HydrophobicContact CE2-CB 4.34Å; Y32-K36 HydrophobicContact CE2-CD 4.41Å; Y32-K36 VanDerWaalsContact O-CB 3.29Å; Y32-K36 WeakPolarHBondContact O-CB 3.38Å; Y32-K36 PolarHBondContact O-N 3Å
33K91.3Very high89.6Confident89 Ų8963.2 Ų63.239%0.38732%0.32SS..Hα-helixtrans-57.9-42179.2-71.7-173.1176.3-177.30110.8N30 S37 I88 H89N30-K33 HydrophobicContact CB-CB 4.25Å; N30-K33 HydrophobicContact CB-CD 4.32Å; N30-K33 HydrophobicContact CB-CG 4.24Å; N30-K33 PolarHBondContact O-N 3.27Å; N30-K33 PolarHBondContact OD1-N 3.45Å; K33-S37 WeakPolarHBondContact O-CB 3.32Å; K33-S37 PolarHBondContact O-N 3.21Å; K33-S37 PolarHBondContact O-OG 3.36Å; K33-I88 HydrophobicContact CB-CG2 3.81Å; K33-H89 PolarHBondContact NZ-O 3.21Å
34L91.7Very high89.7Confident0 Ų062 Ų620%031%0.312CS..Hα-helixtrans-61-53.6175.4-121.690.8000112.1I29 N30 Y32 K36 S37 S38 F41 L45 F71 L85 I88I29-L34 HydrophobicContact CB-CD1 4.14Å; I29-L34 HydrophobicContact CD1-CD1 3.83Å; I29-L34 HydrophobicContact CD1-CD2 3.82Å; I29-L34 HydrophobicContact CD1-CG 4.39Å; I29-L34 HydrophobicContact CG2-CD1 4.35Å; N30-L34 PolarHBondContact O-N 3.06Å; N30-L34 VanDerWaalsContact O-N 3.12Å; Y32-L34 VanDerWaalsContact C-N 3.26Å; Y32-L34 PolarHBondContact O-N 3.32Å; L34-K36 VanDerWaalsContact C-N 3.28Å; L34-K36 PolarHBondContact O-N 2.95Å; L34-S37 PolarHBondContact O-N 3.43Å; L34-S37 VanDerWaalsContact O-N 3.12Å; L34-S37 PolarHBondContact O-OG 3.19Å; L34-S38 PolarHBondContact O-N 2.95Å; L34-F41 HydrophobicContact CB-CB 4.34Å; L34-F41 HydrophobicContact CB-CD2 4.43Å; L34-F41 HydrophobicContact CD2-CB 3.94Å; L34-F41 HydrophobicContact CD2-CD1 3.87Å; L34-F41 HydrophobicContact CD2-CD2 3.81Å; L34-F41 HydrophobicContact CD2-CE1 4.32Å; L34-F41 HydrophobicContact CD2-CE2 4.26Å; L34-F41 HydrophobicContact CD2-CG 3.61Å; L34-F41 HydrophobicContact CG-CB 4.27Å; L34-F41 HydrophobicContact CG-CD2 3.71Å; L34-F41 HydrophobicContact CG-CE2 4.19Å; L34-F41 HydrophobicContact CG-CG 3.99Å; L34-L45 HydrophobicContact CB-CD1 4.24Å; L34-F71 HydrophobicContact CD2-CD1 3.93Å; L34-F71 HydrophobicContact CD2-CE1 3.56Å; L34-L85 HydrophobicContact CD1-CD2 3.91Å; L34-I88 HydrophobicContact CD1-CD1 4.5Å; L34-I88 HydrophobicContact CD1-CG2 4.49Å
35A89.9Confident90Very high7 Ų755.8 Ų55.86%0.05828%0.278CS..Hα-helixtrans-63.3-34.2-178.100000112.6Y13 G31 Y32 K42 L45Y13-A35 HydrophobicContact CD2-CB 3.6Å; Y13-A35 HydrophobicContact CE2-CB 3.84Å; G31-A35 WeakPolarHBondContact O-CB 3.37Å; G31-A35 PolarHBondContact O-N 2.84Å; Y32-A35 PolarHBondContact O-N 3.15Å; A35-K42 HydrophobicContact CB-CB 4.09Å; A35-K42 HydrophobicContact CB-CG 4.27Å; A35-L45 HydrophobicContact CB-CD1 4.03Å
36K91.2Very high90Very high160 Ų16054.9 Ų54.970%0.69628%0.275SS*.Hα-helixtrans-69-37.5174.8-172.2-179.9178.4-175.40111.7Y32 L34Y32-K36 HydrophobicContact CD2-CB 4.44Å; Y32-K36 HydrophobicContact CE2-CB 4.34Å; Y32-K36 HydrophobicContact CE2-CD 4.41Å; Y32-K36 VanDerWaalsContact O-CB 3.29Å; Y32-K36 WeakPolarHBondContact O-CB 3.38Å; Y32-K36 PolarHBondContact O-N 3Å; L34-K36 VanDerWaalsContact C-N 3.28Å; L34-K36 PolarHBondContact O-N 2.95Å
37S92.3Very high89.9Confident33 Ų3356.4 Ų56.423%0.23128%0.278CS..Hα-helixtrans-73.6-29.2-176.8710000114.2K33 L34 I88 I120K33-S37 WeakPolarHBondContact O-CB 3.32Å; K33-S37 PolarHBondContact O-N 3.21Å; K33-S37 PolarHBondContact O-OG 3.36Å; L34-S37 PolarHBondContact O-N 3.43Å; L34-S37 VanDerWaalsContact O-N 3.12Å; L34-S37 PolarHBondContact O-OG 3.19Å; S37-I88 WeakPolarHBondContact OG-CD1 3Å; S37-I120 WeakPolarHBondContact O-CG1 3.38Å
38S94Very high89.8Confident4 Ų455.3 Ų55.33%0.02827%0.274CS..  trans-149.4132.7-172.6174.60000113L34 I40 F41 K42 F118L34-S38 PolarHBondContact O-N 2.95Å; S38-I40 PolarHBondContact O-N 3.44Å; S38-I40 WeakPolarHBondContact OG-CB 3.29Å; S38-I40 PolarHBondContact OG-N 2.82Å; S38-F41 VanDerWaalsContact CB-CD2 3.45Å; S38-F41 PolarHBondContact O-N 3.11Å; S38-F41 PolarHBondContact OG-N 2.8Å; S38-K42 WeakPolarHBondContact O-CB 3.37Å; S38-K42 PolarHBondContact O-N 3.4Å; S38-F118 VanDerWaalsContact CB-O 3.25Å; S38-F118 WeakPolarHBondContact CB-O 3.42Å; S38-F118 PolarHBondContact OG-O 3.38Å
39I90.5Very high89.4Confident85 Ų8550.4 Ų50.444%0.43624%0.238SC..Hα-helixtrans-63.1-29.7171.1-167.458.5000112.4K42 N43I39-K42 HydrophobicContact CD1-CD 4.23Å; I39-N43 WeakPolarHBondContact O-CB 3.23Å; I39-N43 PolarHBondContact O-N 2.75Å; I39-N43 PolarHBondContact O-ND2 2.88Å
40I92.7Very high89Confident41 Ų4155.5 Ų55.521%0.2126%0.262CS..Hα-helixtrans-66.8-50.3177.6-65.4170.8000109.1S38 K42 N43 Q44 Y117 F118 Q119S38-I40 PolarHBondContact O-N 3.44Å; S38-I40 WeakPolarHBondContact OG-CB 3.29Å; S38-I40 PolarHBondContact OG-N 2.82Å; I40-K42 VanDerWaalsContact C-N 3.35Å; I40-K42 PolarHBondContact O-N 3.08Å; I40-N43 PolarHBondContact O-N 3.49Å; I40-Q44 WeakPolarHBondContact O-CB 3.5Å; I40-Q44 WeakPolarHBondContact O-CG 3.42Å; I40-Q44 PolarHBondContact O-N 2.82Å; I40-Y117 WeakPolarHBondContact CD1-O 3.22Å; I40-F118 HydrophobicContact CG2-CD1 4.36Å; I40-Q119 HydrophobicContact CD1-CB 4.45Å; I40-Q119 HydrophobicContact CD1-CG 3.83Å
41F92.2Very high88.6Confident0 Ų057.6 Ų57.60%027%0.272CS..Hα-helixtrans-61.5-44.1176.4-67.2-33.9000111.7L34 S38 N43 Q44 L45 F71 I73 L84 I88 F118 I120L34-F41 HydrophobicContact CB-CB 4.34Å; L34-F41 HydrophobicContact CB-CD2 4.43Å; L34-F41 HydrophobicContact CD2-CB 3.94Å; L34-F41 HydrophobicContact CD2-CD1 3.87Å; L34-F41 HydrophobicContact CD2-CD2 3.81Å; L34-F41 HydrophobicContact CD2-CE1 4.32Å; L34-F41 HydrophobicContact CD2-CE2 4.26Å; L34-F41 HydrophobicContact CD2-CG 3.61Å; L34-F41 HydrophobicContact CG-CB 4.27Å; L34-F41 HydrophobicContact CG-CD2 3.71Å; L34-F41 HydrophobicContact CG-CE2 4.19Å; L34-F41 HydrophobicContact CG-CG 3.99Å; S38-F41 VanDerWaalsContact CB-CD2 3.45Å; S38-F41 PolarHBondContact O-N 3.11Å; S38-F41 PolarHBondContact OG-N 2.8Å; F41-N43 PolarHBondContact O-N 2.87Å; F41-Q44 PolarHBondContact O-N 3.07Å; F41-L45 WeakPolarHBondContact O-CB 3.47Å; F41-L45 VanDerWaalsContact O-CG 3.26Å; F41-L45 WeakPolarHBondContact O-CG 3.31Å; F41-L45 PolarHBondContact O-N 3.12Å; F41-F71 AromaticContact CD1-CE1 3.99Å; F41-F71 HydrophobicContact CD1-CE1 3.99Å; F41-F71 HydrophobicContact CD1-CZ 4.11Å; F41-F71 HydrophobicContact CE1-CE1 4.48Å; F41-I73 HydrophobicContact CD1-CD1 4.36Å; F41-I73 HydrophobicContact CE1-CD1 3.61Å; F41-I73 HydrophobicContact CZ-CD1 4.31Å; F41-L84 HydrophobicContact CE2-CD2 4.24Å; F41-L84 HydrophobicContact CZ-CD2 4.3Å; F41-I88 HydrophobicContact CE2-CD1 3.96Å; F41-F118 HydrophobicContact CD1-CD1 4.06Å; F41-F118 HydrophobicContact CD1-CE1 4.35Å; F41-F118 AromaticContact CE1-CD1 3.19Å; F41-F118 HydrophobicContact CE1-CD1 3.19Å; F41-F118 AromaticContact CE1-CE1 3.35Å; F41-F118 HydrophobicContact CE1-CE1 3.35Å; F41-F118 AromaticContact CE1-CG 3.91Å; F41-F118 HydrophobicContact CE1-CG 3.91Å; F41-F118 HydrophobicContact CE1-CZ 4.18Å; F41-F118 HydrophobicContact CE2-CB 4.17Å; F41-F118 HydrophobicContact CE2-CD1 4.25Å; F41-F118 HydrophobicContact CE2-CG 4.23Å; F41-F118 HydrophobicContact CZ-CB 3.92Å; F41-F118 AromaticContact CZ-CD1 3.3Å; F41-F118 HydrophobicContact CZ-CD1 3.3Å; F41-F118 HydrophobicContact CZ-CD2 4.09Å; F41-F118 AromaticContact CZ-CE1 3.76Å; F41-F118 HydrophobicContact CZ-CE1 3.76Å; F41-F118 HydrophobicContact CZ-CE2 4.47Å; F41-F118 AromaticContact CZ-CG 3.49Å; F41-F118 HydrophobicContact CZ-CG 3.49Å; F41-F118 VanDerWaalsContact CZ-CG 3.49Å; F41-F118 HydrophobicContact CZ-CZ 4.32Å; F41-I120 HydrophobicContact CD2-CD1 4.39Å; F41-I120 HydrophobicContact CE2-CD1 3.76Å
42K90.2Very high88.2Confident71 Ų7158 Ų5831%0.30927%0.274SS..Hα-helixtrans-54.9-50.4175.5-174.7174.8179178.90111.8Y13 A35 S38 I39 I40 Q44 L45 I46Y13-K42 WeakPolarHBondContact OH-CE 3.19Å; A35-K42 HydrophobicContact CB-CB 4.09Å; A35-K42 HydrophobicContact CB-CG 4.27Å; S38-K42 WeakPolarHBondContact O-CB 3.37Å; S38-K42 PolarHBondContact O-N 3.4Å; I39-K42 HydrophobicContact CD1-CD 4.23Å; I40-K42 VanDerWaalsContact C-N 3.35Å; I40-K42 PolarHBondContact O-N 3.08Å; K42-Q44 PolarHBondContact O-N 3.16Å; K42-L45 PolarHBondContact O-N 2.91Å; K42-I46 HydrophobicContact CG-CD1 3.9Å; K42-I46 WeakPolarHBondContact O-CB 3.26Å; K42-I46 VanDerWaalsContact O-CG1 3.23Å; K42-I46 WeakPolarHBondContact O-CG1 3.36Å; K42-I46 PolarHBondContact O-N 2.85Å
43N90.2Very high87.5Confident80 Ų8055.2 Ų55.243%0.42827%0.267SS..Hα-helixtrans-66.3-38.5-178.6-71.7-15.6000112.5I39 I40 F41 I46 K47I39-N43 WeakPolarHBondContact O-CB 3.23Å; I39-N43 PolarHBondContact O-N 2.75Å; I39-N43 PolarHBondContact O-ND2 2.88Å; I40-N43 PolarHBondContact O-N 3.49Å; F41-N43 PolarHBondContact O-N 2.87Å; N43-I46 PolarHBondContact O-N 3Å; N43-K47 WeakPolarHBondContact O-CG 3.42Å; N43-K47 PolarHBondContact O-N 3.24Å
44Q90.7Very high86.8Confident76 Ų7659.3 Ų59.336%0.35528%0.284SS..Hα-helixtrans-67.9-41.5177-72.2178.4-31.800111.7I40 F41 K42 K47 L48 F71I40-Q44 WeakPolarHBondContact O-CB 3.5Å; I40-Q44 WeakPolarHBondContact O-CG 3.42Å; I40-Q44 PolarHBondContact O-N 2.82Å; F41-Q44 PolarHBondContact O-N 3.07Å; K42-Q44 PolarHBondContact O-N 3.16Å; Q44-K47 PolarHBondContact O-N 3.41Å; Q44-L48 WeakPolarHBondContact O-CB 3.35Å; Q44-L48 PolarHBondContact O-N 3.3Å; Q44-F71 HydrophobicContact CB-CE2 3.61Å; Q44-F71 HydrophobicContact CB-CZ 3.77Å; Q44-F71 VanDerWaalsContact OE1-CZ 3.27Å
45L89.2Confident85.9Confident0 Ų064.9 Ų64.90%031%0.314CS..Hα-helixtrans-64.2-39.8174.7-71.3167.5000111.7L34 A35 F41 K42 L48 R49 F71L34-L45 HydrophobicContact CB-CD1 4.24Å; A35-L45 HydrophobicContact CB-CD1 4.03Å; F41-L45 WeakPolarHBondContact O-CB 3.47Å; F41-L45 VanDerWaalsContact O-CG 3.26Å; F41-L45 WeakPolarHBondContact O-CG 3.31Å; F41-L45 PolarHBondContact O-N 3.12Å; K42-L45 PolarHBondContact O-N 2.91Å; L45-L48 PolarHBondContact O-N 3.42Å; L45-R49 WeakPolarHBondContact O-CB 3.49Å; L45-R49 PolarHBondContact O-N 2.9Å; L45-F71 HydrophobicContact CD2-CD1 4.23Å; L45-F71 HydrophobicContact CD2-CD2 4.42Å; L45-F71 HydrophobicContact CD2-CG 4.14Å
46I85.8Confident84.9Confident54 Ų5467.2 Ų67.228%0.27733%0.326SS..Hα-helixtrans-60.4-47.3173.4-71.6165.5000110.9Y13 K42 N43 R49 Q50Y13-I46 HydrophobicContact CD1-CD1 4.16Å; Y13-I46 HydrophobicContact CD1-CG1 3.64Å; Y13-I46 HydrophobicContact CE1-CD1 4.26Å; Y13-I46 HydrophobicContact CE1-CG1 4.23Å; Y13-I46 HydrophobicContact CG-CG1 4.37Å; K42-I46 HydrophobicContact CG-CD1 3.9Å; K42-I46 WeakPolarHBondContact O-CB 3.26Å; K42-I46 VanDerWaalsContact O-CG1 3.23Å; K42-I46 WeakPolarHBondContact O-CG1 3.36Å; K42-I46 PolarHBondContact O-N 2.85Å; N43-I46 PolarHBondContact O-N 3Å; I46-R49 WeakPolarHBondContact O-CB 3.49Å; I46-R49 PolarHBondContact O-N 3.31Å; I46-Q50 WeakPolarHBondContact O-CG 3.47Å; I46-Q50 PolarHBondContact O-N 2.86Å
47K85.6Confident83.4Confident140 Ų14063.6 Ų63.661%0.60932%0.319SS*.Hα-helixtrans-63-44178-78-176.6178.3-174.70112.3N43 Q44 R49 Q50 I51N43-K47 WeakPolarHBondContact O-CG 3.42Å; N43-K47 PolarHBondContact O-N 3.24Å; Q44-K47 PolarHBondContact O-N 3.41Å; K47-R49 PolarHBondContact O-N 3.2Å; K47-Q50 PolarHBondContact O-N 3.12Å; K47-I51 WeakPolarHBondContact O-CG1 3.34Å; K47-I51 PolarHBondContact O-N 3.29Å; K47-I51 VanDerWaalsContact O-N 3.15Å
48L86.8Confident81.7Confident36 Ų3669.3 Ų69.319%0.18835%0.346CS..Hα-helixtrans-58.1-42.9176.7-147.889.3000110Q44 L45 I51 E52 Q69Q44-L48 WeakPolarHBondContact O-CB 3.35Å; Q44-L48 PolarHBondContact O-N 3.3Å; L45-L48 PolarHBondContact O-N 3.42Å; L48-I51 WeakPolarHBondContact O-CB 3.31Å; L48-I51 PolarHBondContact O-N 2.96Å; L48-E52 WeakPolarHBondContact O-CG 3.49Å; L48-E52 PolarHBondContact O-N 2.95Å; L48-Q69 HydrophobicContact CD2-CB 3.91Å; L48-Q69 WeakPolarHBondContact CD2-O 3.28Å; L48-Q69 HydrophobicContact CG-CB 4.35Å
49R79.8Confident79.8Confident10 Ų1073.1 Ų73.14%0.03836%0.363CS..Hα-helixtrans-65.2-41.3178.8-173.257.5-179.1171.13.3113.2E12 L45 I46 K47 I51 E52 L53E12-R49 HydrophobicContact CB-CG 4.01Å; E12-R49 IonicContact OE1-CZ 3.87Å; E12-R49 IonicContact OE1-NE 3.98Å; E12-R49 IonicContact OE1-NH2 2.91Å; E12-R49 PolarHBondContact OE1-NH2 2.86Å; E12-R49 IonicContact OE2-CZ 3.32Å; E12-R49 VanDerWaalsContact OE2-CZ 3.32Å; E12-R49 IonicContact OE2-NE 2.73Å; E12-R49 PolarHBondContact OE2-NE 2.92Å; E12-R49 IonicContact OE2-NH2 3.04Å; E12-R49 PolarHBondContact OE2-NH2 2.95Å; L45-R49 WeakPolarHBondContact O-CB 3.49Å; L45-R49 PolarHBondContact O-N 2.9Å; I46-R49 WeakPolarHBondContact O-CB 3.49Å; I46-R49 PolarHBondContact O-N 3.31Å; K47-R49 PolarHBondContact O-N 3.2Å; R49-I51 PolarHBondContact O-N 3.47Å; R49-E52 WeakPolarHBondContact CD-OE2 3.29Å; R49-E52 IonicContact CZ-OE2 3.9Å; R49-E52 IonicContact NE-OE2 3.98Å; R49-E52 IonicContact NH1-OE2 2.98Å; R49-E52 PolarHBondContact NH1-OE2 3.38Å; R49-E52 PolarHBondContact O-N 3.46Å; R49-L53 HydrophobicContact CG-CD1 4.26Å; R49-L53 WeakPolarHBondContact O-CG 3.36Å; R49-L53 PolarHBondContact O-N 3.07Å
50Q80.2Confident78Confident116 Ų11674.7 Ų74.754%0.54237%0.372SS..Hα-helixtrans-59.9-34.4174.9-73.1172.4-16.700112.4I46 K47 K54I46-Q50 WeakPolarHBondContact O-CG 3.47Å; I46-Q50 PolarHBondContact O-N 2.86Å; K47-Q50 PolarHBondContact O-N 3.12Å; Q50-K54 WeakPolarHBondContact O-CB 3.35Å; Q50-K54 PolarHBondContact O-N 2.84Å
51I81.3Confident76.1Confident88 Ų8878.7 Ų78.745%0.45139%0.394SS..Hα-helixtrans-71.6-45.2176.2-65164.5000110.6K47 L48 R49 L53 K54 N55K47-I51 WeakPolarHBondContact O-CG1 3.34Å; K47-I51 PolarHBondContact O-N 3.29Å; K47-I51 VanDerWaalsContact O-N 3.15Å; L48-I51 WeakPolarHBondContact O-CB 3.31Å; L48-I51 PolarHBondContact O-N 2.96Å; R49-I51 PolarHBondContact O-N 3.47Å; I51-L53 VanDerWaalsContact C-N 3.33Å; I51-L53 PolarHBondContact O-N 3.36Å; I51-K54 PolarHBondContact O-N 3.35Å; I51-N55 PolarHBondContact O-N 3.33Å; I51-N55 PolarHBondContact O-ND2 2.92Å
52E79.2Confident74.6Confident8 Ų880.8 Ų80.84%0.03741%0.408CS..Hα-helixtrans-56.1-47.2176.1-69.3166.7-17900111.3R17 L48 R49 K54 N55 D56 Q69R17-E52 IonicContact CZ-OE1 3.99Å; R17-E52 IonicContact NH1-OE1 3.02Å; R17-E52 PolarHBondContact NH1-OE1 2.98Å; L48-E52 WeakPolarHBondContact O-CG 3.49Å; L48-E52 PolarHBondContact O-N 2.95Å; R49-E52 WeakPolarHBondContact CD-OE2 3.29Å; R49-E52 IonicContact CZ-OE2 3.9Å; R49-E52 IonicContact NE-OE2 3.98Å; R49-E52 IonicContact NH1-OE2 2.98Å; R49-E52 PolarHBondContact NH1-OE2 3.38Å; R49-E52 PolarHBondContact O-N 3.46Å; E52-K54 VanDerWaalsContact C-N 3.35Å; E52-K54 PolarHBondContact O-N 2.92Å; E52-N55 PolarHBondContact O-N 3.4Å; E52-D56 PolarHBondContact O-N 3.24Å; E52-Q69 HydrophobicContact CG-CB 4.2Å; E52-Q69 HydrophobicContact CG-CG 3.89Å; E52-Q69 PolarHBondContact OE1-N 2.83Å
53L73Confident73Confident61 Ų6180.4 Ų80.432%0.31941%0.409SS..Hα-helixtrans-66.5-32.8178.8-70.2170.7000113.2R49 I51 L60R49-L53 HydrophobicContact CG-CD1 4.26Å; R49-L53 WeakPolarHBondContact O-CG 3.36Å; R49-L53 PolarHBondContact O-N 3.07Å; I51-L53 VanDerWaalsContact C-N 3.33Å; I51-L53 PolarHBondContact O-N 3.36Å; L53-L60 HydrophobicContact CD2-CD2 4.27Å
54K76.5Confident71.6Confident175 Ų17581 Ų8176%0.76142%0.42SS*.Hα-helixtrans-71.5-36.2176-91.1-173.2173.5-174.70112.9Q50 I51 E52 D56Q50-K54 WeakPolarHBondContact O-CB 3.35Å; Q50-K54 PolarHBondContact O-N 2.84Å; I51-K54 PolarHBondContact O-N 3.35Å; E52-K54 VanDerWaalsContact C-N 3.35Å; E52-K54 PolarHBondContact O-N 2.92Å; K54-D56 VanDerWaalsContact C-N 3.34Å
55N73.6Confident70Confident118 Ų11881.8 Ų81.863%0.63143%0.426SS*.Hα-helixtrans-80.7-16.1-174.9-70.5-15.9000113.1I51 E52I51-N55 PolarHBondContact O-N 3.33Å; I51-N55 PolarHBondContact O-ND2 2.92Å; E52-N55 PolarHBondContact O-N 3.4Å
56D67.4Low68.8Low55 Ų5583 Ų8329%0.29443%0.433SS..  trans-136.466.1-178.2-155.9-9.8000112.5E52 K54 L58 H59E52-D56 PolarHBondContact O-N 3.24Å; K54-D56 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 2.93Å; D56-H59 PolarHBondContact O-N 3.48Å; D56-H59 IonicContact OD1-CD2 3.59Å; D56-H59 IonicContact OD1-CG 3.98Å; D56-H59 IonicContact OD2-CD2 3.45Å; D56-H59 PolarHBondContact OD2-CD2 3.48Å
57P61.2Low68.1Low84 Ų8489.4 Ų89.455%0.54546%0.459SS..G310 helixtrans-67.6-15.5-176.326.1-32.7000113.6L60P57-L60 WeakPolarHBondContact O-CD1 3.35Å
58L55.8Low67.7Low154 Ų15486 Ų8681%0.80645%0.446SS*.G310 helixtrans-87.3-11.7-175.9-81.1151.3000113.7D56D56-L58 PolarHBondContact O-N 2.93Å
59H54Low67.6Low83 Ų8389 Ų8938%0.38446%0.46SS..G310 helixtrans-106.221.5-177.1-85.8-41.4000115.6D56 N61D56-H59 PolarHBondContact O-N 3.48Å; D56-H59 IonicContact OD1-CD2 3.59Å; D56-H59 IonicContact OD1-CG 3.98Å; D56-H59 IonicContact OD2-CD2 3.45Å; D56-H59 PolarHBondContact OD2-CD2 3.48Å; H59-N61 PolarHBondContact O-N 3.29Å
60L53.2Low68.1Low118 Ų11890.6 Ų90.662%0.61847%0.471SS*.THydrogen-bonded Turntrans-60.2-9.6175.4-80.1158.6000115.1L53 P57L53-L60 HydrophobicContact CD2-CD2 4.27Å; P57-L60 WeakPolarHBondContact O-CD1 3.35Å
61N53.5Low68.6Low126 Ų12685.3 Ų85.367%0.67445%0.446SS*.THydrogen-bonded Turntrans-91.1-10-172.2-67.7-18.4000115.3H59H59-N61 PolarHBondContact O-N 3.29Å
62S59Low69.1Low43 Ų4384.8 Ų84.830%0.30144%0.444SS..  trans-155.8128173.6-178.80000113.6S64 N65S62-S64 PolarHBondContact O-N 2.96Å; S62-S64 PolarHBondContact OG-N 3.4Å; S62-S64 PolarHBondContact OG-OG 3.32Å; S62-N65 PolarHBondContact O-N 2.94Å
63L57.7Low69.7Low63 Ų6384.8 Ų84.833%0.3344%0.444SS..G310 helixtrans-56.6-25.8171.3-87.4159.1000113.3I7 L15 N65I7-L63 HydrophobicContact CB-CD1 4.46Å; I7-L63 HydrophobicContact CG1-CD1 4.26Å; I7-L63 HydrophobicContact CG2-CD1 3.75Å; I7-L63 HydrophobicContact CG2-CG 3.84Å; L15-L63 HydrophobicContact CD1-CD2 3.97Å; L63-N65 VanDerWaalsContact C-N 3.3Å; L63-N65 PolarHBondContact O-N 3Å
64S60.1Low70.6Confident93 Ų9387.5 Ų87.565%0.6546%0.455SS*.G310 helixtrans-70.7-21.9-175.866.20000114.3S62S62-S64 PolarHBondContact O-N 2.96Å; S62-S64 PolarHBondContact OG-N 3.4Å; S62-S64 PolarHBondContact OG-OG 3.32Å
65N57.8Low71.5Confident92 Ų9279.8 Ų79.849%0.49242%0.421SS..G310 helixtrans-102-2.4-171-66.4-3.1000113.2S62 L63 K67S62-N65 PolarHBondContact O-N 2.94Å; L63-N65 VanDerWaalsContact C-N 3.3Å; L63-N65 PolarHBondContact O-N 3Å; N65-K67 PolarHBondContact O-N 3.22Å
66L64Low72.4Confident27 Ų2779 Ų7914%0.14143%0.425CS..  trans-74.4116.8-179.3-93.5143.1000111.4L68L66-L68 PolarHBondContact O-N 3.37Å
67K70Confident73.6Confident188 Ų18878.7 Ų78.782%0.81742%0.423SS*.  trans-69.696.2167.4-92.7-177.1176174.50110N65 Q69N65-K67 PolarHBondContact O-N 3.22Å; K67-Q69 PolarHBondContact O-N 2.7Å
68L78.5Confident75.2Confident67 Ų6776.8 Ų76.835%0.35141%0.408SS..PPolyproline II helixtrans-63.9126.9175.8-69.3169.2000111L15 L66L15-L68 HydrophobicContact CB-CD1 4.31Å; L15-L68 HydrophobicContact CB-CD2 4.49Å; L15-L68 HydrophobicContact CD1-CD2 3.94Å; L66-L68 PolarHBondContact O-N 3.37Å
69Q84.5Confident77Confident100 Ų10074 Ų7447%0.46739%0.387SS..PPolyproline II helixtrans-75.1140173.5-70.6-99.2-3300109.2R17 L48 E52 K67R17-Q69 PolarHBondContact NH1-O 3.24Å; L48-Q69 HydrophobicContact CD2-CB 3.91Å; L48-Q69 WeakPolarHBondContact CD2-O 3.28Å; L48-Q69 HydrophobicContact CG-CB 4.35Å; E52-Q69 HydrophobicContact CG-CB 4.2Å; E52-Q69 HydrophobicContact CG-CG 3.89Å; E52-Q69 PolarHBondContact OE1-N 2.83Å; K67-Q69 PolarHBondContact O-N 2.7Å
70P89.1Confident79Confident44 Ų4470 Ų7029%0.28637%0.369SS..PPolyproline II helixtrans-62.7142.917426.5-32.3000110.3K18 I20 I72K18-P70 HydrophobicContact CB-CB 4.4Å; K18-P70 CarbonylContact O-C 3.5Å; K18-P70 VanDerWaalsContact O-CA 3.25Å; K18-P70 WeakPolarHBondContact O-CA 3.23Å; I20-P70 HydrophobicContact CD1-CB 3.51Å; I20-P70 HydrophobicContact CD1-CG 3.78Å; I20-P70 HydrophobicContact CG1-CB 3.87Å; P70-I72 PolarHBondContact O-N 3.12Å
71F91.3Very high81Confident4 Ų464.4 Ų64.42%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-84.8108.8175.8-176.8-138.3000110.1R17 K18 L19 I20 I29 L34 F41 Q44 L45 I73R17-F71 HydrophobicContact CG-CB 4.29Å; K18-F71 PolarHBondContact O-N 3.41Å; L19-F71 CarbonylContact C-O 3.52Å; L19-F71 VanDerWaalsContact CA-O 3.28Å; L19-F71 WeakPolarHBondContact CA-O 3.5Å; L19-F71 HydrophobicContact CD1-CB 4.27Å; L19-F71 HydrophobicContact CD1-CD1 3.4Å; L19-F71 HydrophobicContact CD1-CE1 4.02Å; L19-F71 HydrophobicContact CD1-CG 4.11Å; L19-F71 WeakPolarHBondContact CD1-O 3.32Å; I20-F71 PolarHBondContact N-O 2.91Å; I29-F71 HydrophobicContact CD1-CD1 4.05Å; L34-F71 HydrophobicContact CD2-CD1 3.93Å; L34-F71 HydrophobicContact CD2-CE1 3.56Å; F41-F71 AromaticContact CD1-CE1 3.99Å; F41-F71 HydrophobicContact CD1-CE1 3.99Å; F41-F71 HydrophobicContact CD1-CZ 4.11Å; F41-F71 HydrophobicContact CE1-CE1 4.48Å; Q44-F71 HydrophobicContact CB-CE2 3.61Å; Q44-F71 HydrophobicContact CB-CZ 3.77Å; Q44-F71 VanDerWaalsContact OE1-CZ 3.27Å; L45-F71 HydrophobicContact CD2-CD1 4.23Å; L45-F71 HydrophobicContact CD2-CD2 4.42Å; L45-F71 HydrophobicContact CD2-CG 4.14Å; F71-I73 HydrophobicContact CD1-CD1 4.35Å; F71-I73 HydrophobicContact CD1-CG1 4.4Å; F71-I73 HydrophobicContact CE1-CD1 3.74Å; F71-I73 HydrophobicContact CE1-CG1 3.94Å; F71-I73 HydrophobicContact CZ-CD1 4.18Å; F71-I73 HydrophobicContact CZ-CG1 4.02Å
72I91.8Very high83Confident78 Ų7861 Ų6140%0.432%0.32SS..EExtended strand (participates in β ladder)trans-94.9126.1-174.3-54177.3000110I20 P70I20-I72 HydrophobicContact CB-CG1 4.39Å; I20-I72 WeakPolarHBondContact O-CA 3.33Å; P70-I72 PolarHBondContact O-N 3.12Å
73I91.9Very high84.8Confident8 Ų859.3 Ų59.34%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-119.3130.4172.7-64.1-179.8000109.4L19 I20 I21 N22 F41 F71 L81 F118L19-I73 HydrophobicContact CD1-CD1 3.56Å; L19-I73 HydrophobicContact CD1-CG1 3.87Å; I20-I73 PolarHBondContact O-N 2.98Å; I21-I73 VanDerWaalsContact CA-O 3.31Å; I21-I73 WeakPolarHBondContact CA-O 3.4Å; N22-I73 PolarHBondContact N-O 2.86Å; F41-I73 HydrophobicContact CD1-CD1 4.36Å; F41-I73 HydrophobicContact CE1-CD1 3.61Å; F41-I73 HydrophobicContact CZ-CD1 4.31Å; F71-I73 HydrophobicContact CD1-CD1 4.35Å; F71-I73 HydrophobicContact CD1-CG1 4.4Å; F71-I73 HydrophobicContact CE1-CD1 3.74Å; F71-I73 HydrophobicContact CE1-CG1 3.94Å; F71-I73 HydrophobicContact CZ-CD1 4.18Å; F71-I73 HydrophobicContact CZ-CG1 4.02Å; I73-L81 HydrophobicContact CB-CD2 4.5Å; I73-L81 HydrophobicContact CG2-CD2 3.8Å; I73-F118 HydrophobicContact CG2-CE1 4.44Å; I73-F118 HydrophobicContact CG2-CZ 3.87Å
74H92.6Very high86.6Confident117 Ų11756.3 Ų56.354%0.54229%0.292SS..  trans-101.6113.8167.3-65.6-68.8000110N22 N23N22-H74 VanDerWaalsContact OD1-CA 3.28Å; N22-H74 WeakPolarHBondContact OD1-CA 3.35Å; N23-H74 PolarHBondContact OD1-CE1 2.77Å
75Y94Very high88.3Confident13 Ų1352.2 Ų52.25%0.05126%0.263CS..  trans-145.9136.3178.4-164-103.3000111.6N22 N77 L81 V114 Y117 F118N22-Y75 PolarHBondContact ND2-O 3.43Å; N22-Y75 PolarHBondContact OD1-N 3.35Å; N22-Y75 PolarHBondContact OD1-O 3.45Å; Y75-N77 HydrophobicContact CD1-CB 4.42Å; Y75-N77 WeakPolarHBondContact CD1-O 3.23Å; Y75-N77 HydrophobicContact CE1-CB 4.03Å; Y75-L81 HydrophobicContact CD1-CB 4.13Å; Y75-L81 HydrophobicContact CG-CD2 4.48Å; Y75-V114 HydrophobicContact CD1-CG2 4.07Å; Y75-V114 HydrophobicContact CE1-CB 3.84Å; Y75-V114 HydrophobicContact CE1-CG2 3.53Å; Y75-V114 HydrophobicContact CE2-CG2 4.33Å; Y75-V114 VanDerWaalsContact OH-CA 3.3Å; Y75-V114 WeakPolarHBondContact OH-CA 3.46Å; Y75-V114 PolarHBondContact OH-N 3.42Å; Y75-Y117 HydrophobicContact CD2-CD1 4.01Å; Y75-Y117 HydrophobicContact CD2-CE1 4.07Å; Y75-Y117 HydrophobicContact CD2-CG 4.48Å; Y75-Y117 AromaticContact CE2-CD1 3.71Å; Y75-Y117 HydrophobicContact CE2-CD1 3.71Å; Y75-Y117 HydrophobicContact CE2-CD2 4.26Å; Y75-Y117 HydrophobicContact CE2-CE1 4.16Å; Y75-Y117 AromaticContact CE2-CG 3.77Å; Y75-Y117 HydrophobicContact CE2-CG 3.77Å; Y75-F118 HydrophobicContact CD2-CE2 4.03Å; Y75-F118 HydrophobicContact CD2-CZ 4.21Å; Y75-F118 HydrophobicContact CE2-CE2 4.29Å; Y75-F118 HydrophobicContact CG-CE2 4.34Å
76S92.4Very high90Very high101 Ų10150.5 Ų50.571%0.70626%0.258SS*.SBendtrans-73.2-30.9-169.252.90000114.6
77N93.4Very high91.6Very high50 Ų5049.3 Ų49.327%0.26725%0.251SS..  trans-107.993.5178.4-166.5-60.8000110.5Y75 A80 L81 S110Y75-N77 HydrophobicContact CD1-CB 4.42Å; Y75-N77 WeakPolarHBondContact CD1-O 3.23Å; Y75-N77 HydrophobicContact CE1-CB 4.03Å; N77-A80 HydrophobicContact CB-CB 4.21Å; N77-A80 PolarHBondContact O-N 3.11Å; N77-A80 VanDerWaalsContact OD1-CB 3.28Å; N77-A80 WeakPolarHBondContact OD1-CB 3.47Å; N77-A80 PolarHBondContact OD1-N 2.9Å; N77-L81 PolarHBondContact O-N 3.3Å; N77-S110 WeakPolarHBondContact ND2-CB 3.47Å; N77-S110 PolarHBondContact ND2-OG 3.21Å; N77-S110 VanDerWaalsContact ND2-OG 3.17Å
78I93.9Very high92.8Very high43 Ų4340.8 Ų40.822%0.22122%0.215CC..Hα-helixtrans-61.4-47.1-176.3-65155.7000110.8I21 H25 A80 L81 E82I21-I78 HydrophobicContact CG2-CG1 4.27Å; H25-I78 WeakPolarHBondContact NE2-CD1 3.25Å; I78-A80 VanDerWaalsContact C-N 3.33Å; I78-A80 PolarHBondContact O-N 3.26Å; I78-L81 WeakPolarHBondContact O-CB 3.25Å; I78-L81 PolarHBondContact O-N 3.37Å; I78-E82 HydrophobicContact CG2-CG 4.11Å; I78-E82 WeakPolarHBondContact O-CG 3.5Å; I78-E82 PolarHBondContact O-N 2.82Å
79Y94.7Very high93.4Very high96 Ų9639.9 Ų39.938%0.37621%0.209SC..Hα-helixtrans-55-45.7179.7172.8-97.4000113L81 E82 C83 N102 T107Y79-L81 VanDerWaalsContact C-N 3.35Å; Y79-L81 PolarHBondContact O-N 2.85Å; Y79-E82 PolarHBondContact O-N 3.41Å; Y79-C83 WeakPolarHBondContact O-CB 3.49Å; Y79-C83 PolarHBondContact O-N 3.22Å; Y79-N102 WeakPolarHBondContact OH-CB 3.36Å; Y79-N102 PolarHBondContact OH-OD1 2.87Å; Y79-T107 HydrophobicContact CD1-CG2 4.42Å; Y79-T107 HydrophobicContact CE1-CG2 3.63Å
80A95.6Very high93.7Very high0 Ų036.8 Ų36.80%020%0.198CC..Hα-helixtrans-64.7-42.2178.300000111.3N77 I78 C83 L84 S110 L111 V114N77-A80 HydrophobicContact CB-CB 4.21Å; N77-A80 PolarHBondContact O-N 3.11Å; N77-A80 VanDerWaalsContact OD1-CB 3.28Å; N77-A80 WeakPolarHBondContact OD1-CB 3.47Å; N77-A80 PolarHBondContact OD1-N 2.9Å; I78-A80 VanDerWaalsContact C-N 3.33Å; I78-A80 PolarHBondContact O-N 3.26Å; A80-C83 PolarHBondContact O-N 2.79Å; A80-L84 PolarHBondContact O-N 3.45Å; A80-S110 WeakPolarHBondContact CB-O 3.38Å; A80-L111 HydrophobicContact CB-CD2 4.2Å; A80-V114 HydrophobicContact CB-CB 4.09Å; A80-V114 HydrophobicContact CB-CG1 3.74Å; A80-V114 WeakPolarHBondContact O-CG1 3.49Å
81L95.8Very high93.8Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-63.7-43177179.155.9000111.8I21 I73 Y75 N77 I78 Y79 C83 L84 L85 V114 F118I21-L81 HydrophobicContact CB-CD2 4.49Å; I21-L81 HydrophobicContact CD1-CD2 3.78Å; I21-L81 HydrophobicContact CD1-CG 4.06Å; I21-L81 HydrophobicContact CG1-CD2 3.94Å; I21-L81 HydrophobicContact CG2-CD2 3.75Å; I73-L81 HydrophobicContact CB-CD2 4.5Å; I73-L81 HydrophobicContact CG2-CD2 3.8Å; Y75-L81 HydrophobicContact CD1-CB 4.13Å; Y75-L81 HydrophobicContact CG-CD2 4.48Å; N77-L81 PolarHBondContact O-N 3.3Å; I78-L81 WeakPolarHBondContact O-CB 3.25Å; I78-L81 PolarHBondContact O-N 3.37Å; Y79-L81 VanDerWaalsContact C-N 3.35Å; Y79-L81 PolarHBondContact O-N 2.85Å; L81-C83 VanDerWaalsContact C-N 3.33Å; L81-C83 PolarHBondContact O-N 3.45Å; L81-L84 HydrophobicContact CD1-CD2 4.07Å; L81-L84 PolarHBondContact O-N 3.39Å; L81-L85 HydrophobicContact CD1-CD1 4.1Å; L81-L85 HydrophobicContact CD1-CG 4.04Å; L81-L85 HydrophobicContact CG-CD1 3.89Å; L81-L85 HydrophobicContact CG-CG 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 VanDerWaalsContact O-CG 3.23Å; L81-L85 WeakPolarHBondContact O-CG 3.09Å; L81-L85 PolarHBondContact O-N 3.01Å; L81-V114 HydrophobicContact CB-CG2 4.17Å; L81-V114 HydrophobicContact CD1-CG2 4.18Å; L81-F118 HydrophobicContact CD1-CD2 4.23Å; L81-F118 HydrophobicContact CD1-CE2 3.65Å; L81-F118 HydrophobicContact CD1-CZ 4.21Å
82E94.4Very high93.5Very high55 Ų5546.1 Ų46.126%0.25724%0.241SC..Hα-helixtrans-62.6-39.6176.2-72.3-178.9157.800112.1I21 H27 I78 Y79 L85 S86I21-E82 HydrophobicContact CD1-CG 4.33Å; H27-E82 IonicContact CE1-OE1 2.77Å; H27-E82 PolarHBondContact CE1-OE1 2.84Å; H27-E82 IonicContact NE2-OE1 2.95Å; H27-E82 PolarHBondContact NE2-OE1 3.4Å; I78-E82 HydrophobicContact CG2-CG 4.11Å; I78-E82 WeakPolarHBondContact O-CG 3.5Å; I78-E82 PolarHBondContact O-N 2.82Å; Y79-E82 PolarHBondContact O-N 3.41Å; E82-L85 PolarHBondContact O-N 3.3Å; E82-S86 WeakPolarHBondContact O-CB 3.47Å; E82-S86 PolarHBondContact O-N 3.32Å; E82-S86 PolarHBondContact O-OG 3.06Å
83C96.4Very high93.1Very high6 Ų650.4 Ų50.44%0.04126%0.259CS..Hα-helixtrans-63.3-43.3174-1720000111.6Y79 A80 L81 S86 F87 L111Y79-C83 WeakPolarHBondContact O-CB 3.49Å; Y79-C83 PolarHBondContact O-N 3.22Å; A80-C83 PolarHBondContact O-N 2.79Å; L81-C83 VanDerWaalsContact C-N 3.33Å; L81-C83 PolarHBondContact O-N 3.45Å; C83-S86 PolarHBondContact O-N 3.34Å; C83-F87 WeakPolarHBondContact O-CB 3.33Å; C83-F87 PolarHBondContact O-N 2.57Å; C83-L111 HydrophobicContact CB-CD2 3.66Å
84L96.6Very high93.1Very high0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-64.3-41.6175.5174.8140.5000112.2F41 A80 L81 F87 I88 V114 F118 I120 F123F41-L84 HydrophobicContact CE2-CD2 4.24Å; F41-L84 HydrophobicContact CZ-CD2 4.3Å; A80-L84 PolarHBondContact O-N 3.45Å; L81-L84 HydrophobicContact CD1-CD2 4.07Å; L81-L84 PolarHBondContact O-N 3.39Å; L84-F87 WeakPolarHBondContact O-CB 3.39Å; L84-F87 PolarHBondContact O-N 3.3Å; L84-I88 HydrophobicContact CD2-CD1 3.81Å; L84-I88 HydrophobicContact CG-CD1 4.47Å; L84-I88 WeakPolarHBondContact O-CG1 3.31Å; L84-I88 PolarHBondContact O-N 3.16Å; L84-I88 VanDerWaalsContact O-N 3.08Å; L84-V114 HydrophobicContact CB-CG1 4.01Å; L84-V114 HydrophobicContact CD1-CG1 3.95Å; L84-V114 HydrophobicContact CD1-CG2 4.31Å; L84-F118 HydrophobicContact CD2-CD2 4.43Å; L84-I120 HydrophobicContact CD1-CB 4.43Å; L84-I120 HydrophobicContact CD1-CD1 3.82Å; L84-I120 HydrophobicContact CD2-CD1 3.69Å; L84-I120 HydrophobicContact CG-CD1 3.91Å; L84-F123 HydrophobicContact CB-CE1 4.39Å; L84-F123 HydrophobicContact CB-CE2 4.18Å; L84-F123 HydrophobicContact CB-CZ 4.08Å; L84-F123 HydrophobicContact CD1-CD1 4.02Å; L84-F123 HydrophobicContact CD1-CE1 4.22Å; L84-F123 HydrophobicContact CD1-CG 4.34Å
85L95Very high93.2Very high8 Ų848.6 Ų48.64%0.04225%0.253CS..Hα-helixtrans-65.5-41.6175.8-69.2166.3000111.3L19 I21 L34 L81 E82 F87 I88 H89L19-L85 HydrophobicContact CD2-CD1 3.31Å; L19-L85 HydrophobicContact CD2-CD2 4.16Å; L19-L85 HydrophobicContact CD2-CG 4.38Å; I21-L85 HydrophobicContact CD1-CD1 3.93Å; L34-L85 HydrophobicContact CD1-CD2 3.91Å; L81-L85 HydrophobicContact CD1-CD1 4.1Å; L81-L85 HydrophobicContact CD1-CG 4.04Å; L81-L85 HydrophobicContact CG-CD1 3.89Å; L81-L85 HydrophobicContact CG-CG 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 VanDerWaalsContact O-CG 3.23Å; L81-L85 WeakPolarHBondContact O-CG 3.09Å; L81-L85 PolarHBondContact O-N 3.01Å; E82-L85 PolarHBondContact O-N 3.3Å; L85-F87 VanDerWaalsContact C-N 3.31Å; L85-F87 PolarHBondContact O-N 3.43Å; L85-I88 HydrophobicContact CD2-CD1 4.48Å; L85-I88 PolarHBondContact O-N 3.08Å; L85-H89 PolarHBondContact O-N 3.24Å; L85-H89 PolarHBondContact O-ND1 3.42Å
86S94.7Very high93.2Very high56 Ų5654 Ų5439%0.39227%0.274SS..Hα-helixtrans-59.7-44174.6-59.50000110.7E82 C83 I88 H89 C90E82-S86 WeakPolarHBondContact O-CB 3.47Å; E82-S86 PolarHBondContact O-N 3.32Å; E82-S86 PolarHBondContact O-OG 3.06Å; C83-S86 PolarHBondContact O-N 3.34Å; S86-I88 VanDerWaalsContact C-N 3.33Å; S86-I88 PolarHBondContact O-N 3.39Å; S86-H89 PolarHBondContact O-N 3.01Å; S86-H89 VanDerWaalsContact O-N 3.11Å; S86-C90 WeakPolarHBondContact O-CB 3.42Å; S86-C90 PolarHBondContact O-N 2.99Å; S86-C90 PolarHBondContact O-SG 3.35Å
87F96.3Very high93.2Very high1 Ų155.4 Ų55.40%0.00427%0.269CS..Hα-helixtrans-59-40.7176.1175.5-86.9000113.5C83 L84 L85 H89 R95 L98 L99 E122 F123 D126C83-F87 WeakPolarHBondContact O-CB 3.33Å; C83-F87 PolarHBondContact O-N 2.57Å; L84-F87 WeakPolarHBondContact O-CB 3.39Å; L84-F87 PolarHBondContact O-N 3.3Å; L85-F87 VanDerWaalsContact C-N 3.31Å; L85-F87 PolarHBondContact O-N 3.43Å; F87-H89 VanDerWaalsContact C-N 3.25Å; F87-H89 PolarHBondContact O-N 3.48Å; F87-R95 HydrophobicContact CD2-CB 4Å; F87-R95 HydrophobicContact CD2-CG 3.61Å; F87-R95 HydrophobicContact CE2-CB 3.91Å; F87-R95 HydrophobicContact CE2-CG 3.67Å; F87-R95 HydrophobicContact CG-CG 4.29Å; F87-R95 HydrophobicContact CZ-CG 4.36Å; F87-R95 PolarHBondContact O-NE 3.22Å; F87-R95 VanDerWaalsContact O-NE 3.16Å; F87-L98 HydrophobicContact CB-CD2 4.12Å; F87-L99 HydrophobicContact CD2-CD1 3.93Å; F87-L99 HydrophobicContact CD2-CD2 4.34Å; F87-L99 HydrophobicContact CD2-CG 4.2Å; F87-L99 HydrophobicContact CE2-CD1 3.83Å; F87-E122 HydrophobicContact CE1-CG 4.49Å; F87-E122 HydrophobicContact CZ-CG 4.17Å; F87-F123 HydrophobicContact CB-CD2 3.63Å; F87-F123 HydrophobicContact CB-CE2 3.93Å; F87-F123 HydrophobicContact CD1-CB 3.86Å; F87-F123 AromaticContact CD1-CD2 3.76Å; F87-F123 HydrophobicContact CD1-CD2 3.76Å; F87-F123 HydrophobicContact CD1-CG 4.3Å; F87-F123 AromaticContact CD2-CD2 3.69Å; F87-F123 HydrophobicContact CD2-CD2 3.69Å; F87-F123 HydrophobicContact CD2-CE2 4.4Å; F87-F123 HydrophobicContact CE1-CB 3.72Å; F87-F123 HydrophobicContact CE1-CD2 4.33Å; F87-F123 HydrophobicContact CE2-CD2 4.22Å; F87-F123 HydrophobicContact CG-CB 4.36Å; F87-F123 AromaticContact CG-CD2 3.43Å; F87-F123 HydrophobicContact CG-CD2 3.43Å; F87-F123 VanDerWaalsContact CG-CD2 3.43Å; F87-F123 HydrophobicContact CG-CE2 4.19Å; F87-F123 HydrophobicContact CG-CG 4.37Å; F87-F123 HydrophobicContact CZ-CB 4.06Å; F87-D126 HydrophobicContact CE2-CB 4.15Å; F87-D126 WeakPolarHBondContact CE2-OD2 3.34Å; F87-D126 VanDerWaalsContact CZ-OD2 3.31Å; F87-D126 WeakPolarHBondContact CZ-OD2 3.5Å
88I95Very high93.3Very high10 Ų1054.9 Ų54.95%0.05127%0.266CS..Hα-helixtrans-63.6-35.6177.6-68.6164000110.8K33 L34 S37 F41 L84 L85 S86 I120K33-I88 HydrophobicContact CB-CG2 3.81Å; L34-I88 HydrophobicContact CD1-CD1 4.5Å; L34-I88 HydrophobicContact CD1-CG2 4.49Å; S37-I88 WeakPolarHBondContact OG-CD1 3Å; F41-I88 HydrophobicContact CE2-CD1 3.96Å; L84-I88 HydrophobicContact CD2-CD1 3.81Å; L84-I88 HydrophobicContact CG-CD1 4.47Å; L84-I88 WeakPolarHBondContact O-CG1 3.31Å; L84-I88 PolarHBondContact O-N 3.16Å; L84-I88 VanDerWaalsContact O-N 3.08Å; L85-I88 HydrophobicContact CD2-CD1 4.48Å; L85-I88 PolarHBondContact O-N 3.08Å; S86-I88 VanDerWaalsContact C-N 3.33Å; S86-I88 PolarHBondContact O-N 3.39Å; I88-I120 HydrophobicContact CD1-CD1 3.63Å; I88-I120 HydrophobicContact CG1-CD1 4.17Å
89H92.5Very high93.4Very high48 Ų4852.9 Ų52.922%0.22226%0.256CS..Hα-helixtrans-93.9-23.5-171.4-68.585.9000114.2N30 K33 L85 S86 F87N30-H89 PolarHBondContact N-NE2 2.64Å; K33-H89 PolarHBondContact NZ-O 3.21Å; L85-H89 PolarHBondContact O-N 3.24Å; L85-H89 PolarHBondContact O-ND1 3.42Å; S86-H89 PolarHBondContact O-N 3.01Å; S86-H89 VanDerWaalsContact O-N 3.11Å; F87-H89 VanDerWaalsContact C-N 3.25Å; F87-H89 PolarHBondContact O-N 3.48Å
90C91.3Very high93.4Very high35 Ų3553.1 Ų53.124%0.23626%0.257CS..SBendtrans-80.1164.8178.173.10000112.8S86 T94 R95S86-C90 WeakPolarHBondContact O-CB 3.42Å; S86-C90 PolarHBondContact O-N 2.99Å; S86-C90 PolarHBondContact O-SG 3.35Å; C90-T94 VanDerWaalsContact CB-OG1 3.32Å; C90-T94 WeakPolarHBondContact CB-OG1 3.38Å; C90-R95 WeakPolarHBondContact SG-CG 3.3Å
91N89.6Confident93.4Very high91 Ų9158.5 Ų58.549%0.48729%0.286SS..  trans-82.7166177.867.221000111.1E93 T94 R95N91-E93 VanDerWaalsContact C-N 3.33Å; N91-E93 PolarHBondContact O-N 3.4Å; N91-T94 PolarHBondContact N-OG1 2.94Å; N91-T94 PolarHBondContact O-N 3.31Å; N91-T94 PolarHBondContact O-OG1 2.93Å; N91-T94 VanDerWaalsContact OD1-CB 3.31Å; N91-T94 WeakPolarHBondContact OD1-CB 3.42Å; N91-T94 VanDerWaalsContact OD1-CG2 3.23Å; N91-T94 WeakPolarHBondContact OD1-CG2 3.46Å; N91-T94 PolarHBondContact OD1-N 3.14Å; N91-T94 PolarHBondContact OD1-OG1 2.99Å; N91-R95 WeakPolarHBondContact O-CG 3.49Å; N91-R95 PolarHBondContact O-N 3.21Å; N91-R95 VanDerWaalsContact O-N 3.14Å
92E85.5Confident93.3Very high153 Ų15360.1 Ų60.172%0.71530%0.295SS*.Hα-helixtrans-57.7-40.9-175.9-74.4-176.717300113.7T94 R95E92-T94 VanDerWaalsContact C-N 3.34Å; E92-T94 PolarHBondContact O-N 3.34Å; E92-R95 WeakPolarHBondContact O-CB 3.44Å; E92-R95 PolarHBondContact O-N 3.36Å
93E84.1Confident93.3Very high167 Ų16757.5 Ų57.578%0.7828%0.282SS*.Hα-helixtrans-62.9-39179.6-67.3-179.416900112.6N91N91-E93 VanDerWaalsContact C-N 3.33Å; N91-E93 PolarHBondContact O-N 3.4Å
94T92.4Very high93.1Very high55 Ų5562.4 Ų62.434%0.33730%0.304SS..Hα-helixtrans-80.7-21.1-178.754.20000113.3C90 N91 E92 Y96 Q97 L98C90-T94 VanDerWaalsContact CB-OG1 3.32Å; C90-T94 WeakPolarHBondContact CB-OG1 3.38Å; N91-T94 PolarHBondContact N-OG1 2.94Å; N91-T94 PolarHBondContact O-N 3.31Å; N91-T94 PolarHBondContact O-OG1 2.93Å; N91-T94 VanDerWaalsContact OD1-CB 3.31Å; N91-T94 WeakPolarHBondContact OD1-CB 3.42Å; N91-T94 VanDerWaalsContact OD1-CG2 3.23Å; N91-T94 WeakPolarHBondContact OD1-CG2 3.46Å; N91-T94 PolarHBondContact OD1-N 3.14Å; N91-T94 PolarHBondContact OD1-OG1 2.99Å; E92-T94 VanDerWaalsContact C-N 3.34Å; E92-T94 PolarHBondContact O-N 3.34Å; T94-Y96 VanDerWaalsContact C-N 3.31Å; T94-Y96 PolarHBondContact O-N 3.49Å; T94-Q97 PolarHBondContact O-N 3.33Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 PolarHBondContact O-N 2.97Å
95R94Very high92.8Very high33 Ų3365.5 Ų65.513%0.12532%0.321CS..Hα-helixtrans-57.4-43.5175.9-76.3174.8175.6-179.7-2.5112F87 C90 N91 E92 Q97 L98 L99 E122F87-R95 HydrophobicContact CD2-CB 4Å; F87-R95 HydrophobicContact CD2-CG 3.61Å; F87-R95 HydrophobicContact CE2-CB 3.91Å; F87-R95 HydrophobicContact CE2-CG 3.67Å; F87-R95 HydrophobicContact CG-CG 4.29Å; F87-R95 HydrophobicContact CZ-CG 4.36Å; F87-R95 PolarHBondContact O-NE 3.22Å; F87-R95 VanDerWaalsContact O-NE 3.16Å; C90-R95 WeakPolarHBondContact SG-CG 3.3Å; N91-R95 WeakPolarHBondContact O-CG 3.49Å; N91-R95 PolarHBondContact O-N 3.21Å; N91-R95 VanDerWaalsContact O-N 3.14Å; E92-R95 WeakPolarHBondContact O-CB 3.44Å; E92-R95 PolarHBondContact O-N 3.36Å; R95-Q97 PolarHBondContact O-N 2.97Å; R95-L98 PolarHBondContact O-N 3.37Å; R95-L99 WeakPolarHBondContact O-CB 3.18Å; R95-L99 WeakPolarHBondContact O-CG 3.28Å; R95-L99 PolarHBondContact O-N 3.06Å; R95-E122 IonicContact CZ-OE1 2.92Å; R95-E122 IonicContact NH1-OE1 3.41Å; R95-E122 PolarHBondContact NH1-OE1 2.81Å; R95-E122 IonicContact NH1-OE2 3.34Å; R95-E122 IonicContact NH2-OE2 2.96Å
96Y92.9Very high92.6Very high127 Ų12769.3 Ų69.350%0.49835%0.348SS..Hα-helixtrans-59-51.1179.9-176-85.3000110.9T94 L98 L99 Y100 I130T94-Y96 VanDerWaalsContact C-N 3.31Å; T94-Y96 PolarHBondContact O-N 3.49Å; Y96-L98 PolarHBondContact O-N 3.34Å; Y96-L99 PolarHBondContact O-N 3.38Å; Y96-Y100 HydrophobicContact CE1-CD2 4.04Å; Y96-Y100 HydrophobicContact CE1-CG 4.29Å; Y96-Y100 WeakPolarHBondContact O-CB 3.33Å; Y96-Y100 PolarHBondContact O-N 2.61Å; Y96-I130 HydrophobicContact CD1-CD1 4.39Å; Y96-I130 HydrophobicContact CD2-CD1 3.42Å; Y96-I130 VanDerWaalsContact CD2-CD1 3.42Å; Y96-I130 HydrophobicContact CE1-CD1 4.2Å; Y96-I130 HydrophobicContact CE2-CD1 3.19Å; Y96-I130 HydrophobicContact CG-CD1 4.03Å
97Q93.7Very high92.5Very high129 Ų12967.5 Ų67.560%0.60334%0.335SS*.Hα-helixtrans-64.3-42.2-179.5-68.3-177.5-9.900112.3T94 R95 Y100 N101T94-Q97 PolarHBondContact O-N 3.33Å; R95-Q97 PolarHBondContact O-N 2.97Å; Q97-Y100 PolarHBondContact O-N 3.49Å; Q97-N101 WeakPolarHBondContact O-CB 3.42Å; Q97-N101 VanDerWaalsContact O-CG 3.29Å; Q97-N101 PolarHBondContact O-N 3.39Å; Q97-N101 PolarHBondContact O-ND2 3.42Å
98L95.7Very high92.3Very high39 Ų3967.5 Ų67.520%0.20434%0.335CS..Hα-helixtrans-55.6-54.6175176.973.7000110.4F87 T94 R95 Y96 N101 N102F87-L98 HydrophobicContact CB-CD2 4.12Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 PolarHBondContact O-N 2.97Å; R95-L98 PolarHBondContact O-N 3.37Å; Y96-L98 PolarHBondContact O-N 3.34Å; L98-N101 PolarHBondContact O-N 2.73Å; L98-N102 WeakPolarHBondContact O-CB 3.49Å; L98-N102 PolarHBondContact O-N 3.15Å; L98-N102 VanDerWaalsContact O-N 3.15Å; L98-N102 PolarHBondContact O-ND2 3.34Å
99L96.1Very high92Very high1 Ų169.7 Ų69.71%0.00534%0.343CS..Hα-helixtrans-67.5-40.4-178.1-67-179.4000111.7F87 R95 Y96 N101 N102 I103 F123 D126 I130F87-L99 HydrophobicContact CD2-CD1 3.93Å; F87-L99 HydrophobicContact CD2-CD2 4.34Å; F87-L99 HydrophobicContact CD2-CG 4.2Å; F87-L99 HydrophobicContact CE2-CD1 3.83Å; R95-L99 WeakPolarHBondContact O-CB 3.18Å; R95-L99 WeakPolarHBondContact O-CG 3.28Å; R95-L99 PolarHBondContact O-N 3.06Å; Y96-L99 PolarHBondContact O-N 3.38Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 3.4Å; L99-N102 PolarHBondContact O-N 2.9Å; L99-I103 HydrophobicContact CB-CD1 3.97Å; L99-I103 VanDerWaalsContact O-CB 3.26Å; L99-I103 WeakPolarHBondContact O-CB 3.21Å; L99-I103 VanDerWaalsContact O-CG1 3.23Å; L99-I103 WeakPolarHBondContact O-CG1 3.31Å; L99-I103 PolarHBondContact O-N 3.17Å; L99-F123 HydrophobicContact CD2-CD2 4.05Å; L99-F123 HydrophobicContact CD2-CE2 3.52Å; L99-F123 HydrophobicContact CD2-CZ 4.2Å; L99-D126 HydrophobicContact CD1-CB 3.42Å; L99-D126 VanDerWaalsContact CD1-CB 3.42Å; L99-I130 HydrophobicContact CB-CG1 3.89Å
100Y94.4Very high91.9Very high102 Ų10268.5 Ų68.540%0.434%0.34SS..Hα-helixtrans-58.3-41.6176.9-167.8-90.6000111.6Y96 Q97 I130 K134Y96-Y100 HydrophobicContact CE1-CD2 4.04Å; Y96-Y100 HydrophobicContact CE1-CG 4.29Å; Y96-Y100 WeakPolarHBondContact O-CB 3.33Å; Y96-Y100 PolarHBondContact O-N 2.61Å; Q97-Y100 PolarHBondContact O-N 3.49Å; Y100-I130 HydrophobicContact CD2-CD1 4.31Å; Y100-I130 HydrophobicContact CD2-CG2 4.18Å; Y100-K134 HydrophobicContact CD2-CG 4.43Å; Y100-K134 HydrophobicContact CE2-CD 4.36Å; Y100-K134 HydrophobicContact CE2-CG 3.9Å; Y100-K134 VanDerWaalsContact O-CE 3.22Å; Y100-K134 WeakPolarHBondContact O-CE 3.47Å; Y100-K134 PolarHBondContact O-NZ 2.97Å
101N94.3Very high92.1Very high113 Ų11366.8 Ų66.860%0.60433%0.329SS*.Hα-helixtrans-73.2-36.6179.4-69.3-19.1000112.8Q97 L98 L99Q97-N101 WeakPolarHBondContact O-CB 3.42Å; Q97-N101 VanDerWaalsContact O-CG 3.29Å; Q97-N101 PolarHBondContact O-N 3.39Å; Q97-N101 PolarHBondContact O-ND2 3.42Å; L98-N101 PolarHBondContact O-N 2.73Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 3.4Å
102N95.6Very high92.2Very high34 Ų3462.6 Ų62.618%0.18231%0.306CS..Hα-helixtrans-87.2-22.2-174-70.8-72.7000113.9Y79 L98 L99 Q104 T107Y79-N102 WeakPolarHBondContact OH-CB 3.36Å; Y79-N102 PolarHBondContact OH-OD1 2.87Å; L98-N102 WeakPolarHBondContact O-CB 3.49Å; L98-N102 PolarHBondContact O-N 3.15Å; L98-N102 VanDerWaalsContact O-N 3.15Å; L98-N102 PolarHBondContact O-ND2 3.34Å; L99-N102 PolarHBondContact O-N 2.9Å; N102-Q104 PolarHBondContact O-N 3.2Å; N102-T107 WeakPolarHBondContact O-CB 3.38Å; N102-T107 PolarHBondContact O-OG1 3.04Å
103I93.7Very high92.4Very high0 Ų058.6 Ų58.60%029%0.286CS..  trans-80.4110.8-179-71.6168.2000111L99 I108 L111 C127 I130 V131 K134L99-I103 HydrophobicContact CB-CD1 3.97Å; L99-I103 VanDerWaalsContact O-CB 3.26Å; L99-I103 WeakPolarHBondContact O-CB 3.21Å; L99-I103 VanDerWaalsContact O-CG1 3.23Å; L99-I103 WeakPolarHBondContact O-CG1 3.31Å; L99-I103 PolarHBondContact O-N 3.17Å; I103-I108 HydrophobicContact CD1-CD1 4.43Å; I103-I108 HydrophobicContact CG1-CD1 4.28Å; I103-I108 HydrophobicContact CG2-CD1 3.98Å; I103-L111 HydrophobicContact CG1-CD1 3.64Å; I103-C127 HydrophobicContact CD1-CB 3.91Å; I103-I130 HydrophobicContact CB-CG2 4Å; I103-I130 HydrophobicContact CD1-CB 3.71Å; I103-I130 HydrophobicContact CD1-CG1 4.23Å; I103-I130 HydrophobicContact CD1-CG2 3.7Å; I103-I130 HydrophobicContact CG1-CG2 4.42Å; I103-I130 HydrophobicContact CG2-CG2 4.15Å; I103-V131 HydrophobicContact CG2-CG2 3.98Å; I103-K134 PolarHBondContact O-NZ 3.37Å
104Q92.1Very high92.9Very high108 Ų10850.6 Ų50.651%0.50525%0.249SC..  trans-135.6169.1175.5-59.7-174.9-10.700109.9N102 S106 T107 I108N102-Q104 PolarHBondContact O-N 3.2Å; Q104-S106 PolarHBondContact O-N 2.99Å; Q104-T107 PolarHBondContact N-OG1 2.89Å; Q104-T107 PolarHBondContact O-N 2.69Å; Q104-T107 PolarHBondContact O-OG1 3.19Å; Q104-I108 WeakPolarHBondContact O-CB 3.35Å; Q104-I108 WeakPolarHBondContact O-CG2 3.24Å; Q104-I108 PolarHBondContact O-N 3.47Å
105L89.1Confident92.9Very high65 Ų6548 Ų4834%0.3423%0.233SC..THydrogen-bonded Turntrans-55.8-37.2174.9-76.1165.8000112.2N142 F143 I146L105-N142 HydrophobicContact CD1-CB 3.85Å; L105-N142 HydrophobicContact CD2-CB 3.71Å; L105-N142 HydrophobicContact CG-CB 4.47Å; L105-F143 HydrophobicContact CD2-CB 4.33Å; L105-F143 HydrophobicContact CD2-CD1 3.8Å; L105-F143 HydrophobicContact CD2-CD2 3.66Å; L105-F143 HydrophobicContact CD2-CE1 3.94Å; L105-F143 HydrophobicContact CD2-CE2 3.81Å; L105-F143 HydrophobicContact CD2-CG 3.65Å; L105-F143 HydrophobicContact CD2-CZ 3.94Å; L105-F143 HydrophobicContact CG-CD2 4.46Å; L105-F143 HydrophobicContact CG-CE1 4.49Å; L105-F143 HydrophobicContact CG-CE2 4.15Å; L105-F143 HydrophobicContact CG-CZ 4.16Å; L105-I146 HydrophobicContact CB-CD1 4.04Å; L105-I146 HydrophobicContact CD2-CD1 3.56Å; L105-I146 HydrophobicContact CG-CD1 4.43Å; L105-I146 WeakPolarHBondContact O-CD1 3.45Å
106S91.1Very high92.7Very high89 Ų8947.3 Ų47.362%0.62223%0.232SC*.THydrogen-bonded Turntrans-72.8-31.4179.4500000113.4Q104Q104-S106 PolarHBondContact O-N 2.99Å
107T93.6Very high92.7Very high18 Ų1847.7 Ų47.711%0.1123%0.233CC..THydrogen-bonded Turntrans-102.4-29.8-168.659.20000113.8Y79 N102 Q104 Y109 S110 L111Y79-T107 HydrophobicContact CD1-CG2 4.42Å; Y79-T107 HydrophobicContact CE1-CG2 3.63Å; N102-T107 WeakPolarHBondContact O-CB 3.38Å; N102-T107 PolarHBondContact O-OG1 3.04Å; Q104-T107 PolarHBondContact N-OG1 2.89Å; Q104-T107 PolarHBondContact O-N 2.69Å; Q104-T107 PolarHBondContact O-OG1 3.19Å; T107-Y109 PolarHBondContact O-N 3.48Å; T107-Y109 VanDerWaalsContact O-N 3.11Å; T107-S110 PolarHBondContact O-N 2.96Å; T107-L111 PolarHBondContact O-N 3.26Å
108I92.2Very high92.7Very high0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-54.7-38.9-170.7-174.756.6000113.3I103 Q104 S110 L111 L112 C127 V131 F143 I146 F159I103-I108 HydrophobicContact CD1-CD1 4.43Å; I103-I108 HydrophobicContact CG1-CD1 4.28Å; I103-I108 HydrophobicContact CG2-CD1 3.98Å; Q104-I108 WeakPolarHBondContact O-CB 3.35Å; Q104-I108 WeakPolarHBondContact O-CG2 3.24Å; Q104-I108 PolarHBondContact O-N 3.47Å; I108-S110 PolarHBondContact O-N 3.17Å; I108-L111 PolarHBondContact O-N 2.97Å; I108-L112 HydrophobicContact CD1-CD1 3.88Å; I108-L112 HydrophobicContact CD1-CD2 4.3Å; I108-L112 HydrophobicContact CD1-CG 3.8Å; I108-L112 HydrophobicContact CG1-CD1 3.85Å; I108-L112 HydrophobicContact CG1-CG 4.21Å; I108-L112 WeakPolarHBondContact O-CB 3.44Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 3.09Å; I108-C127 HydrophobicContact CD1-CB 4.42Å; I108-V131 HydrophobicContact CD1-CG2 3.49Å; I108-V131 VanDerWaalsContact CD1-CG2 3.49Å; I108-V131 HydrophobicContact CG1-CG2 3.77Å; I108-F143 HydrophobicContact CG2-CD1 4.43Å; I108-F143 HydrophobicContact CG2-CE1 4.08Å; I108-I146 HydrophobicContact CG2-CG2 4.3Å; I108-F159 HydrophobicContact CG1-CE2 3.97Å; I108-F159 HydrophobicContact CG1-CZ 3.98Å; I108-F159 HydrophobicContact CG2-CZ 4.27Å
109Y88.6Confident92.5Very high56 Ų5643.6 Ų43.622%0.2221%0.213CC..Hα-helixtrans-61.9-45.3178.4175.9-94.4000111.6T107 K113 K149 L151 F152T107-Y109 PolarHBondContact O-N 3.48Å; T107-Y109 VanDerWaalsContact O-N 3.11Å; Y109-K113 HydrophobicContact CE1-CD 4.24Å; Y109-K113 WeakPolarHBondContact O-CB 3.17Å; Y109-K113 PolarHBondContact O-N 3.39Å; Y109-K149 HydrophobicContact CE2-CB 4.34Å; Y109-L151 HydrophobicContact CE2-CB 4.37Å; Y109-L151 VanDerWaalsContact OH-CB 3.27Å; Y109-L151 WeakPolarHBondContact OH-CB 3.48Å; Y109-L151 WeakPolarHBondContact OH-CD2 3.47Å; Y109-F152 HydrophobicContact CD2-CD2 4.08Å; Y109-F152 AromaticContact CD2-CE2 3.88Å; Y109-F152 HydrophobicContact CD2-CE2 3.88Å; Y109-F152 AromaticContact CE2-CD2 3.61Å; Y109-F152 HydrophobicContact CE2-CD2 3.61Å; Y109-F152 AromaticContact CE2-CE2 3.42Å; Y109-F152 HydrophobicContact CE2-CE2 3.42Å; Y109-F152 VanDerWaalsContact CE2-CE2 3.42Å; Y109-F152 AromaticContact CZ-CE2 3.87Å
110S91.1Very high92.5Very high23 Ų2343.8 Ų43.816%0.16121%0.214CC..Hα-helixtrans-69.2-38.6-179.9-580000111.6N77 A80 T107 I108 K113 V114N77-S110 WeakPolarHBondContact ND2-CB 3.47Å; N77-S110 PolarHBondContact ND2-OG 3.21Å; N77-S110 VanDerWaalsContact ND2-OG 3.17Å; A80-S110 WeakPolarHBondContact CB-O 3.38Å; T107-S110 PolarHBondContact O-N 2.96Å; I108-S110 PolarHBondContact O-N 3.17Å; S110-K113 PolarHBondContact O-N 2.95Å; S110-V114 PolarHBondContact O-N 3.05Å
111L94.4Very high92.3Very high0 Ų045.3 Ų45.30%022%0.22CC..Hα-helixtrans-62.9-53.5176.2-65.8171.8000111.1A80 C83 I103 T107 I108 K113 V114 G115 F123A80-L111 HydrophobicContact CB-CD2 4.2Å; C83-L111 HydrophobicContact CB-CD2 3.66Å; I103-L111 HydrophobicContact CG1-CD1 3.64Å; T107-L111 PolarHBondContact O-N 3.26Å; I108-L111 PolarHBondContact O-N 2.97Å; L111-K113 PolarHBondContact O-N 3.09Å; L111-V114 WeakPolarHBondContact O-CG1 3.23Å; L111-V114 PolarHBondContact O-N 3.19Å; L111-G115 PolarHBondContact O-N 3.36Å; L111-F123 HydrophobicContact CB-CE1 4.38Å; L111-F123 HydrophobicContact CB-CZ 4.34Å; L111-F123 HydrophobicContact CD2-CZ 4.09Å; L111-F123 WeakPolarHBondContact O-CE1 3.43Å
112L92.2Very high92.3Very high2 Ų244.3 Ų44.31%0.0121%0.212CC..Hα-helixtrans-61.8-34.1177.7-64.8173.6000112.2I108 L116 T124 C127 L128 I156 F159I108-L112 HydrophobicContact CD1-CD1 3.88Å; I108-L112 HydrophobicContact CD1-CD2 4.3Å; I108-L112 HydrophobicContact CD1-CG 3.8Å; I108-L112 HydrophobicContact CG1-CD1 3.85Å; I108-L112 HydrophobicContact CG1-CG 4.21Å; I108-L112 WeakPolarHBondContact O-CB 3.44Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 3.09Å; L112-L116 PolarHBondContact O-N 3Å; L112-L116 VanDerWaalsContact O-N 3.09Å; L112-T124 HydrophobicContact CD2-CG2 3.83Å; L112-C127 HydrophobicContact CD2-CB 3.67Å; L112-L128 HydrophobicContact CD1-CD2 4.02Å; L112-L128 HydrophobicContact CD2-CD2 3.91Å; L112-L128 HydrophobicContact CD2-CG 4.15Å; L112-I156 HydrophobicContact CB-CD1 3.66Å; L112-I156 HydrophobicContact CD1-CD1 4.1Å; L112-I156 HydrophobicContact CG-CD1 4.41Å; L112-F159 HydrophobicContact CD1-CB 4.39Å; L112-F159 HydrophobicContact CD1-CD1 4.09Å; L112-F159 HydrophobicContact CD1-CD2 4Å; L112-F159 HydrophobicContact CD1-CE1 4.31Å; L112-F159 HydrophobicContact CD1-CE2 4.19Å; L112-F159 HydrophobicContact CD1-CG 3.94Å; L112-F159 HydrophobicContact CD1-CZ 4.36Å
113K89.6Confident92.3Very high69 Ų6942.7 Ų42.730%0.320%0.203SC..Hα-helixtrans-64-43.7176.3-172.9179.4-179.7-171.20112.8Y109 S110 L111 Y117 L151 F152Y109-K113 HydrophobicContact CE1-CD 4.24Å; Y109-K113 WeakPolarHBondContact O-CB 3.17Å; Y109-K113 PolarHBondContact O-N 3.39Å; S110-K113 PolarHBondContact O-N 2.95Å; L111-K113 PolarHBondContact O-N 3.09Å; K113-Y117 VanDerWaalsContact O-CB 3.24Å; K113-Y117 WeakPolarHBondContact O-CB 3.26Å; K113-Y117 PolarHBondContact O-N 2.94Å; K113-L151 HydrophobicContact CD-CD2 4.32Å; K113-F152 HydrophobicContact CB-CE2 4.14Å; K113-F152 HydrophobicContact CB-CZ 3.6Å; K113-F152 HydrophobicContact CG-CZ 3.86Å
114V93.5Very high92.2Very high0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-71.3-40.3-179.774.70000111.3Y75 A80 L81 L84 S110 L111 L116 Y117 F118 F123Y75-V114 HydrophobicContact CD1-CG2 4.07Å; Y75-V114 HydrophobicContact CE1-CB 3.84Å; Y75-V114 HydrophobicContact CE1-CG2 3.53Å; Y75-V114 HydrophobicContact CE2-CG2 4.33Å; Y75-V114 VanDerWaalsContact OH-CA 3.3Å; Y75-V114 WeakPolarHBondContact OH-CA 3.46Å; Y75-V114 PolarHBondContact OH-N 3.42Å; A80-V114 HydrophobicContact CB-CB 4.09Å; A80-V114 HydrophobicContact CB-CG1 3.74Å; A80-V114 WeakPolarHBondContact O-CG1 3.49Å; L81-V114 HydrophobicContact CB-CG2 4.17Å; L81-V114 HydrophobicContact CD1-CG2 4.18Å; L84-V114 HydrophobicContact CB-CG1 4.01Å; L84-V114 HydrophobicContact CD1-CG1 3.95Å; L84-V114 HydrophobicContact CD1-CG2 4.31Å; S110-V114 PolarHBondContact O-N 3.05Å; L111-V114 WeakPolarHBondContact O-CG1 3.23Å; L111-V114 PolarHBondContact O-N 3.19Å; V114-L116 PolarHBondContact O-N 2.99Å; V114-Y117 PolarHBondContact O-N 3.23Å; V114-F118 HydrophobicContact CG2-CD2 3.62Å; V114-F118 HydrophobicContact CG2-CE2 3.62Å; V114-F118 WeakPolarHBondContact O-CD2 3.46Å; V114-F118 PolarHBondContact O-N 2.79Å; V114-F123 HydrophobicContact CG1-CE1 4.23Å
115G93.6Very high92.3Very high0 Ų040.9 Ų40.90%020%0.197CC..Hα-helixtrans-57.1-47.6175.700000112.5L111 Q119 I120L111-G115 PolarHBondContact O-N 3.36Å; G115-Q119 PolarHBondContact O-N 2.86Å; G115-I120 PolarHBondContact O-N 3.36Å
116L90.4Very high92.6Very high19 Ų1940 Ų4010%0.09919%0.192CC..Hα-helixtrans-70.6-36.4176.3-75.5-174.8000113.9L112 V114 F118 Q119 Y121 T124 F152 K155 I156L112-L116 PolarHBondContact O-N 3Å; L112-L116 VanDerWaalsContact O-N 3.09Å; V114-L116 PolarHBondContact O-N 2.99Å; L116-F118 VanDerWaalsContact C-N 3.3Å; L116-F118 PolarHBondContact O-N 3.49Å; L116-Q119 PolarHBondContact O-N 3.28Å; L116-Y121 HydrophobicContact CD2-CD1 4.38Å; L116-Y121 HydrophobicContact CD2-CE1 4.16Å; L116-T124 HydrophobicContact CD2-CG2 4.24Å; L116-T124 HydrophobicContact CG-CG2 4.33Å; L116-F152 HydrophobicContact CD1-CD1 3.7Å; L116-F152 HydrophobicContact CD1-CE1 3.43Å; L116-F152 VanDerWaalsContact CD1-CE1 3.43Å; L116-K155 HydrophobicContact CD1-CB 3.77Å; L116-I156 HydrophobicContact CD1-CD1 3.68Å; L116-I156 HydrophobicContact CD1-CG1 3.19Å; L116-I156 HydrophobicContact CG-CG1 4.24Å
117Y91.5Very high92.7Very high134 Ų13435.7 Ų35.753%0.52516%0.163SC..Hα-helixtrans-60.5-44.4178.4-177.7-92.3000110.7I40 Y75 K113 V114 Q119I40-Y117 WeakPolarHBondContact CD1-O 3.22Å; Y75-Y117 HydrophobicContact CD2-CD1 4.01Å; Y75-Y117 HydrophobicContact CD2-CE1 4.07Å; Y75-Y117 HydrophobicContact CD2-CG 4.48Å; Y75-Y117 AromaticContact CE2-CD1 3.71Å; Y75-Y117 HydrophobicContact CE2-CD1 3.71Å; Y75-Y117 HydrophobicContact CE2-CD2 4.26Å; Y75-Y117 HydrophobicContact CE2-CE1 4.16Å; Y75-Y117 AromaticContact CE2-CG 3.77Å; Y75-Y117 HydrophobicContact CE2-CG 3.77Å; K113-Y117 VanDerWaalsContact O-CB 3.24Å; K113-Y117 WeakPolarHBondContact O-CB 3.26Å; K113-Y117 PolarHBondContact O-N 2.94Å; V114-Y117 PolarHBondContact O-N 3.23Å; Y117-Q119 VanDerWaalsContact C-N 3.35Å
118F93.8Very high92.7Very high3 Ų335 Ų351%0.01316%0.158CC..THydrogen-bonded Turntrans-89.15.8176.9-66.3-69.1000114S38 I40 F41 I73 Y75 L81 L84 V114 L116 I120S38-F118 VanDerWaalsContact CB-O 3.25Å; S38-F118 WeakPolarHBondContact CB-O 3.42Å; S38-F118 PolarHBondContact OG-O 3.38Å; I40-F118 HydrophobicContact CG2-CD1 4.36Å; F41-F118 HydrophobicContact CD1-CD1 4.06Å; F41-F118 HydrophobicContact CD1-CE1 4.35Å; F41-F118 AromaticContact CE1-CD1 3.19Å; F41-F118 HydrophobicContact CE1-CD1 3.19Å; F41-F118 AromaticContact CE1-CE1 3.35Å; F41-F118 HydrophobicContact CE1-CE1 3.35Å; F41-F118 AromaticContact CE1-CG 3.91Å; F41-F118 HydrophobicContact CE1-CG 3.91Å; F41-F118 HydrophobicContact CE1-CZ 4.18Å; F41-F118 HydrophobicContact CE2-CB 4.17Å; F41-F118 HydrophobicContact CE2-CD1 4.25Å; F41-F118 HydrophobicContact CE2-CG 4.23Å; F41-F118 HydrophobicContact CZ-CB 3.92Å; F41-F118 AromaticContact CZ-CD1 3.3Å; F41-F118 HydrophobicContact CZ-CD1 3.3Å; F41-F118 HydrophobicContact CZ-CD2 4.09Å; F41-F118 AromaticContact CZ-CE1 3.76Å; F41-F118 HydrophobicContact CZ-CE1 3.76Å; F41-F118 HydrophobicContact CZ-CE2 4.47Å; F41-F118 AromaticContact CZ-CG 3.49Å; F41-F118 HydrophobicContact CZ-CG 3.49Å; F41-F118 VanDerWaalsContact CZ-CG 3.49Å; F41-F118 HydrophobicContact CZ-CZ 4.32Å; I73-F118 HydrophobicContact CG2-CE1 4.44Å; I73-F118 HydrophobicContact CG2-CZ 3.87Å; Y75-F118 HydrophobicContact CD2-CE2 4.03Å; Y75-F118 HydrophobicContact CD2-CZ 4.21Å; Y75-F118 HydrophobicContact CE2-CE2 4.29Å; Y75-F118 HydrophobicContact CG-CE2 4.34Å; L81-F118 HydrophobicContact CD1-CD2 4.23Å; L81-F118 HydrophobicContact CD1-CE2 3.65Å; L81-F118 HydrophobicContact CD1-CZ 4.21Å; L84-F118 HydrophobicContact CD2-CD2 4.43Å; V114-F118 HydrophobicContact CG2-CD2 3.62Å; V114-F118 HydrophobicContact CG2-CE2 3.62Å; V114-F118 WeakPolarHBondContact O-CD2 3.46Å; V114-F118 PolarHBondContact O-N 2.79Å; L116-F118 VanDerWaalsContact C-N 3.3Å; L116-F118 PolarHBondContact O-N 3.49Å; F118-I120 VanDerWaalsContact C-N 3.27Å; F118-I120 HydrophobicContact CB-CD1 4.12Å; F118-I120 HydrophobicContact CB-CG1 4.38Å; F118-I120 PolarHBondContact O-N 2.94Å
119Q92.6Very high92.8Very high80 Ų8038.9 Ų38.937%0.37418%0.179SC..THydrogen-bonded Turntrans55.636178.8-57.1-179.12500114.5I40 G115 L116 Y117 Y121I40-Q119 HydrophobicContact CD1-CB 4.45Å; I40-Q119 HydrophobicContact CD1-CG 3.83Å; G115-Q119 PolarHBondContact O-N 2.86Å; L116-Q119 PolarHBondContact O-N 3.28Å; Y117-Q119 VanDerWaalsContact C-N 3.35Å; Q119-Y121 HydrophobicContact CB-CE2 4.23Å; Q119-Y121 PolarHBondContact O-N 3.02Å
120I94.6Very high93.1Very high4 Ų436.4 Ų36.42%0.02117%0.169CC..  trans-95.384.4174.8-60165.9000107.4S37 F41 L84 I88 G115 F118 E122 F123 T124S37-I120 WeakPolarHBondContact O-CG1 3.38Å; F41-I120 HydrophobicContact CD2-CD1 4.39Å; F41-I120 HydrophobicContact CE2-CD1 3.76Å; L84-I120 HydrophobicContact CD1-CB 4.43Å; L84-I120 HydrophobicContact CD1-CD1 3.82Å; L84-I120 HydrophobicContact CD2-CD1 3.69Å; L84-I120 HydrophobicContact CG-CD1 3.91Å; I88-I120 HydrophobicContact CD1-CD1 3.63Å; I88-I120 HydrophobicContact CG1-CD1 4.17Å; G115-I120 PolarHBondContact O-N 3.36Å; F118-I120 VanDerWaalsContact C-N 3.27Å; F118-I120 HydrophobicContact CB-CD1 4.12Å; F118-I120 HydrophobicContact CB-CG1 4.38Å; F118-I120 PolarHBondContact O-N 2.94Å; I120-E122 VanDerWaalsContact C-N 3.32Å; I120-E122 PolarHBondContact O-N 3.39Å; I120-F123 HydrophobicContact CB-CB 4.23Å; I120-F123 HydrophobicContact CG2-CB 3.55Å; I120-F123 PolarHBondContact O-N 2.62Å; I120-T124 PolarHBondContact O-N 3.3Å; I120-T124 PolarHBondContact O-OG1 2.95Å
121Y91.4Very high93.3Very high135 Ų13535.3 Ų35.353%0.52916%0.162SC..Hα-helixtrans-68.6-30.6-174.8-61.7-67000113L116 Q119 T124 N125L116-Y121 HydrophobicContact CD2-CD1 4.38Å; L116-Y121 HydrophobicContact CD2-CE1 4.16Å; Q119-Y121 HydrophobicContact CB-CE2 4.23Å; Q119-Y121 PolarHBondContact O-N 3.02Å; Y121-T124 PolarHBondContact O-N 3.3Å; Y121-N125 WeakPolarHBondContact O-CB 3.39Å; Y121-N125 PolarHBondContact O-N 3.17Å; Y121-N125 PolarHBondContact O-ND2 3.26Å
122E93.2Very high93.3Very high92 Ų9240.7 Ų40.743%0.4319%0.187SC..Hα-helixtrans-58.4-55.8173.4-167-176.2-169.500110.7F87 R95 I120 T124 N125 D126F87-E122 HydrophobicContact CE1-CG 4.49Å; F87-E122 HydrophobicContact CZ-CG 4.17Å; R95-E122 IonicContact CZ-OE1 2.92Å; R95-E122 IonicContact NH1-OE1 3.41Å; R95-E122 PolarHBondContact NH1-OE1 2.81Å; R95-E122 IonicContact NH1-OE2 3.34Å; R95-E122 IonicContact NH2-OE2 2.96Å; I120-E122 VanDerWaalsContact C-N 3.32Å; I120-E122 PolarHBondContact O-N 3.39Å; E122-T124 PolarHBondContact O-N 2.95Å; E122-N125 PolarHBondContact O-N 3.47Å; E122-D126 PolarHBondContact O-N 3.11Å
123F95.3Very high93.4Very high0 Ų043.7 Ų43.70%021%0.208CC..Hα-helixtrans-52.3-43173176.5-96.2000112.5L84 F87 L99 L111 V114 I120 C127L84-F123 HydrophobicContact CB-CE1 4.39Å; L84-F123 HydrophobicContact CB-CE2 4.18Å; L84-F123 HydrophobicContact CB-CZ 4.08Å; L84-F123 HydrophobicContact CD1-CD1 4.02Å; L84-F123 HydrophobicContact CD1-CE1 4.22Å; L84-F123 HydrophobicContact CD1-CG 4.34Å; F87-F123 HydrophobicContact CB-CD2 3.63Å; F87-F123 HydrophobicContact CB-CE2 3.93Å; F87-F123 HydrophobicContact CD1-CB 3.86Å; F87-F123 AromaticContact CD1-CD2 3.76Å; F87-F123 HydrophobicContact CD1-CD2 3.76Å; F87-F123 HydrophobicContact CD1-CG 4.3Å; F87-F123 AromaticContact CD2-CD2 3.69Å; F87-F123 HydrophobicContact CD2-CD2 3.69Å; F87-F123 HydrophobicContact CD2-CE2 4.4Å; F87-F123 HydrophobicContact CE1-CB 3.72Å; F87-F123 HydrophobicContact CE1-CD2 4.33Å; F87-F123 HydrophobicContact CE2-CD2 4.22Å; F87-F123 HydrophobicContact CG-CB 4.36Å; F87-F123 AromaticContact CG-CD2 3.43Å; F87-F123 HydrophobicContact CG-CD2 3.43Å; F87-F123 VanDerWaalsContact CG-CD2 3.43Å; F87-F123 HydrophobicContact CG-CE2 4.19Å; F87-F123 HydrophobicContact CG-CG 4.37Å; F87-F123 HydrophobicContact CZ-CB 4.06Å; L99-F123 HydrophobicContact CD2-CD2 4.05Å; L99-F123 HydrophobicContact CD2-CE2 3.52Å; L99-F123 HydrophobicContact CD2-CZ 4.2Å; L111-F123 HydrophobicContact CB-CE1 4.38Å; L111-F123 HydrophobicContact CB-CZ 4.34Å; L111-F123 HydrophobicContact CD2-CZ 4.09Å; L111-F123 WeakPolarHBondContact O-CE1 3.43Å; V114-F123 HydrophobicContact CG1-CE1 4.23Å; I120-F123 HydrophobicContact CB-CB 4.23Å; I120-F123 HydrophobicContact CG2-CB 3.55Å; I120-F123 PolarHBondContact O-N 2.62Å; F123-C127 WeakPolarHBondContact O-CB 3.45Å; F123-C127 PolarHBondContact O-N 2.91Å; F123-C127 PolarHBondContact O-SG 2.62Å
124T93.4Very high93.6Very high7 Ų742.5 Ų42.54%0.04320%0.203CC..Hα-helixtrans-66.7-41.4-179.6-50.50000110.9L112 L116 I120 Y121 E122 C127 L128L112-T124 HydrophobicContact CD2-CG2 3.83Å; L116-T124 HydrophobicContact CD2-CG2 4.24Å; L116-T124 HydrophobicContact CG-CG2 4.33Å; I120-T124 PolarHBondContact O-N 3.3Å; I120-T124 PolarHBondContact O-OG1 2.95Å; Y121-T124 PolarHBondContact O-N 3.3Å; E122-T124 PolarHBondContact O-N 2.95Å; T124-C127 WeakPolarHBondContact O-CB 3.41Å; T124-L128 VanDerWaalsContact O-CG 3.26Å; T124-L128 WeakPolarHBondContact O-CG 3.32Å; T124-L128 PolarHBondContact O-N 3.26Å
125N93Very high93.7Very high63 Ų6343.2 Ų43.234%0.33721%0.207SC..Hα-helixtrans-66.3-46.9177-78.1-40.9000111.5Y121 E122 C127 L128 D129 K158Y121-N125 WeakPolarHBondContact O-CB 3.39Å; Y121-N125 PolarHBondContact O-N 3.17Å; Y121-N125 PolarHBondContact O-ND2 3.26Å; E122-N125 PolarHBondContact O-N 3.47Å; N125-C127 VanDerWaalsContact C-N 3.27Å; N125-C127 PolarHBondContact O-N 2.82Å; N125-L128 WeakPolarHBondContact O-CA 3.36Å; N125-L128 WeakPolarHBondContact O-CB 3.5Å; N125-L128 PolarHBondContact O-N 2.93Å; N125-D129 PolarHBondContact O-N 2.92Å; N125-K158 PolarHBondContact OD1-NZ 3.13Å; N125-K158 VanDerWaalsContact OD1-NZ 3.13Å
126D94.8Very high93.8Very high45 Ų4546.4 Ų46.424%0.24122%0.224CC..Hα-helixtrans-61.3-39.2178.7-65.88.4000110.7F87 L99 E122 L128 D129 I130F87-D126 HydrophobicContact CE2-CB 4.15Å; F87-D126 WeakPolarHBondContact CE2-OD2 3.34Å; F87-D126 VanDerWaalsContact CZ-OD2 3.31Å; F87-D126 WeakPolarHBondContact CZ-OD2 3.5Å; L99-D126 HydrophobicContact CD1-CB 3.42Å; L99-D126 VanDerWaalsContact CD1-CB 3.42Å; E122-D126 PolarHBondContact O-N 3.11Å; D126-L128 VanDerWaalsContact C-N 3.27Å; D126-L128 PolarHBondContact O-N 3.32Å; D126-D129 PolarHBondContact O-N 3.21Å; D126-I130 WeakPolarHBondContact O-CG1 3.26Å; D126-I130 PolarHBondContact O-N 3.21Å
127C94.8Very high94.1Very high0 Ų048.2 Ų48.20%023%0.233CC..Hα-helixtrans-57.2-40.9171.9-73.80000112.4I103 I108 L112 F123 T124 N125 V131I103-C127 HydrophobicContact CD1-CB 3.91Å; I108-C127 HydrophobicContact CD1-CB 4.42Å; L112-C127 HydrophobicContact CD2-CB 3.67Å; F123-C127 WeakPolarHBondContact O-CB 3.45Å; F123-C127 PolarHBondContact O-N 2.91Å; F123-C127 PolarHBondContact O-SG 2.62Å; T124-C127 WeakPolarHBondContact O-CB 3.41Å; N125-C127 VanDerWaalsContact C-N 3.27Å; N125-C127 PolarHBondContact O-N 2.82Å; C127-V131 WeakPolarHBondContact O-CG2 3.27Å; C127-V131 PolarHBondContact O-N 3.27Å
128L93.6Very high94.2Very high2 Ų247.2 Ų47.21%0.0123%0.233CC..Hα-helixtrans-72.5-34.9-179.9-64.6175.2000112.4L112 T124 N125 D126 V131 Q132 I156 K158 F159 I162L112-L128 HydrophobicContact CD1-CD2 4.02Å; L112-L128 HydrophobicContact CD2-CD2 3.91Å; L112-L128 HydrophobicContact CD2-CG 4.15Å; T124-L128 VanDerWaalsContact O-CG 3.26Å; T124-L128 WeakPolarHBondContact O-CG 3.32Å; T124-L128 PolarHBondContact O-N 3.26Å; N125-L128 WeakPolarHBondContact O-CA 3.36Å; N125-L128 WeakPolarHBondContact O-CB 3.5Å; N125-L128 PolarHBondContact O-N 2.93Å; D126-L128 VanDerWaalsContact C-N 3.27Å; D126-L128 PolarHBondContact O-N 3.32Å; L128-V131 WeakPolarHBondContact O-CB 3.4Å; L128-V131 PolarHBondContact O-N 3.49Å; L128-Q132 WeakPolarHBondContact O-CB 3.44Å; L128-Q132 PolarHBondContact O-N 3.37Å; L128-I156 HydrophobicContact CD1-CG2 4.26Å; L128-I156 HydrophobicContact CD2-CG2 4.35Å; L128-K158 HydrophobicContact CD1-CB 3.92Å; L128-K158 HydrophobicContact CD1-CD 3.76Å; L128-K158 HydrophobicContact CD1-CG 3.94Å; L128-F159 HydrophobicContact CD2-CB 3.54Å; L128-F159 HydrophobicContact CD2-CD2 3.5Å; L128-F159 HydrophobicContact CD2-CG 3.91Å; L128-I162 HydrophobicContact CB-CD1 3.92Å
129D93.5Very high94.2Very high83 Ų8348.3 Ų48.344%0.44424%0.239SC..Hα-helixtrans-67.1-39.8176.6-65.3-14000110.5N125 D126 Q132 S133N125-D129 PolarHBondContact O-N 2.92Å; D126-D129 PolarHBondContact O-N 3.21Å; D129-Q132 PolarHBondContact O-N 3.33Å; D129-S133 PolarHBondContact O-N 3.13Å
130I94.6Very high94.4Very high4 Ų444.5 Ų44.52%0.02122%0.221CC..Hα-helixtrans-64.4-40.5171-63-60.9000112.1Y96 L99 Y100 I103 D126 Q132 S133 K134Y96-I130 HydrophobicContact CD1-CD1 4.39Å; Y96-I130 HydrophobicContact CD2-CD1 3.42Å; Y96-I130 VanDerWaalsContact CD2-CD1 3.42Å; Y96-I130 HydrophobicContact CE1-CD1 4.2Å; Y96-I130 HydrophobicContact CE2-CD1 3.19Å; Y96-I130 HydrophobicContact CG-CD1 4.03Å; L99-I130 HydrophobicContact CB-CG1 3.89Å; Y100-I130 HydrophobicContact CD2-CD1 4.31Å; Y100-I130 HydrophobicContact CD2-CG2 4.18Å; I103-I130 HydrophobicContact CB-CG2 4Å; I103-I130 HydrophobicContact CD1-CB 3.71Å; I103-I130 HydrophobicContact CD1-CG1 4.23Å; I103-I130 HydrophobicContact CD1-CG2 3.7Å; I103-I130 HydrophobicContact CG1-CG2 4.42Å; I103-I130 HydrophobicContact CG2-CG2 4.15Å; D126-I130 WeakPolarHBondContact O-CG1 3.26Å; D126-I130 PolarHBondContact O-N 3.21Å; I130-Q132 VanDerWaalsContact C-N 3.31Å; I130-Q132 PolarHBondContact O-N 3.01Å; I130-S133 PolarHBondContact O-N 2.95Å; I130-S133 PolarHBondContact O-OG 3.47Å; I130-K134 HydrophobicContact CG2-CD 4.17Å; I130-K134 HydrophobicContact CG2-CG 4.42Å; I130-K134 WeakPolarHBondContact O-CB 3.41Å; I130-K134 WeakPolarHBondContact O-CG 3.32Å; I130-K134 PolarHBondContact O-N 3.01Å
131V94.9Very high94.4Very high0 Ų044.5 Ų44.50%022%0.221CC..Hα-helixtrans-59-48.3173.8166.10000109.6I103 I108 C127 L128 S133 K134 L135 F143 F159 I163I103-V131 HydrophobicContact CG2-CG2 3.98Å; I108-V131 HydrophobicContact CD1-CG2 3.49Å; I108-V131 VanDerWaalsContact CD1-CG2 3.49Å; I108-V131 HydrophobicContact CG1-CG2 3.77Å; C127-V131 WeakPolarHBondContact O-CG2 3.27Å; C127-V131 PolarHBondContact O-N 3.27Å; L128-V131 WeakPolarHBondContact O-CB 3.4Å; L128-V131 PolarHBondContact O-N 3.49Å; V131-S133 VanDerWaalsContact C-N 3.29Å; V131-S133 PolarHBondContact O-N 3.02Å; V131-K134 PolarHBondContact O-N 3.14Å; V131-L135 HydrophobicContact CG1-CG 4.39Å; V131-L135 WeakPolarHBondContact O-CG 3.14Å; V131-L135 PolarHBondContact O-N 3.27Å; V131-F143 HydrophobicContact CG1-CD1 4.36Å; V131-F143 HydrophobicContact CG1-CE1 4.41Å; V131-F143 HydrophobicContact CG2-CE1 4.38Å; V131-F159 HydrophobicContact CB-CE2 4.41Å; V131-F159 HydrophobicContact CG1-CD2 4.27Å; V131-F159 HydrophobicContact CG1-CE2 3.8Å; V131-F159 HydrophobicContact CG2-CE2 3.99Å; V131-I163 HydrophobicContact CG1-CG1 4.48Å
132Q94.7Very high94.5Very high112 Ų11240.8 Ų40.852%0.52321%0.21SC..Hα-helixtrans-59.2-41.4-179.2-173.3171.8-3600111.5L128 D129 I130 K134 L135 I162L128-Q132 WeakPolarHBondContact O-CB 3.44Å; L128-Q132 PolarHBondContact O-N 3.37Å; D129-Q132 PolarHBondContact O-N 3.33Å; I130-Q132 VanDerWaalsContact C-N 3.31Å; I130-Q132 PolarHBondContact O-N 3.01Å; Q132-K134 VanDerWaalsContact C-N 3.29Å; Q132-K134 PolarHBondContact O-N 3.03Å; Q132-L135 PolarHBondContact O-N 3.01Å; Q132-I162 HydrophobicContact CB-CG2 3.87Å; Q132-I162 HydrophobicContact CG-CG2 4.01Å
133S94.1Very high94.5Very high65 Ų6536.6 Ų36.646%0.45519%0.191SC..Hα-helixtrans-70.2-23.5176.871.80000113.7D129 I130 V131D129-S133 PolarHBondContact O-N 3.13Å; I130-S133 PolarHBondContact O-N 2.95Å; I130-S133 PolarHBondContact O-OG 3.47Å; V131-S133 VanDerWaalsContact C-N 3.29Å; V131-S133 PolarHBondContact O-N 3.02Å
134K94.4Very high94.4Very high45 Ų4536.6 Ų36.620%0.19619%0.191CC..Hα-helixtrans-91.5-11.3178.7-75.1-169.9174-1580114.4Y100 I103 I130 V131 Q132 N136 N139Y100-K134 HydrophobicContact CD2-CG 4.43Å; Y100-K134 HydrophobicContact CE2-CD 4.36Å; Y100-K134 HydrophobicContact CE2-CG 3.9Å; Y100-K134 VanDerWaalsContact O-CE 3.22Å; Y100-K134 WeakPolarHBondContact O-CE 3.47Å; Y100-K134 PolarHBondContact O-NZ 2.97Å; I103-K134 PolarHBondContact O-NZ 3.37Å; I130-K134 HydrophobicContact CG2-CD 4.17Å; I130-K134 HydrophobicContact CG2-CG 4.42Å; I130-K134 WeakPolarHBondContact O-CB 3.41Å; I130-K134 WeakPolarHBondContact O-CG 3.32Å; I130-K134 PolarHBondContact O-N 3.01Å; V131-K134 PolarHBondContact O-N 3.14Å; Q132-K134 VanDerWaalsContact C-N 3.29Å; Q132-K134 PolarHBondContact O-N 3.03Å; K134-N136 PolarHBondContact O-N 3.27Å; K134-N139 PolarHBondContact O-ND2 2.82Å
135L95.7Very high94.2Very high15 Ų1540.4 Ų40.48%0.07921%0.207CC..  trans-63.7134.5-179.5-80.7171.6000110.7V131 Q132 C140 F143 I162 I163 Y166V131-L135 HydrophobicContact CG1-CG 4.39Å; V131-L135 WeakPolarHBondContact O-CG 3.14Å; V131-L135 PolarHBondContact O-N 3.27Å; Q132-L135 PolarHBondContact O-N 3.01Å; L135-C140 HydrophobicContact CD2-CB 4.07Å; L135-F143 HydrophobicContact CD2-CB 4.12Å; L135-F143 HydrophobicContact CD2-CD2 3.89Å; L135-F143 HydrophobicContact CD2-CG 4.18Å; L135-I162 HydrophobicContact CD1-CG2 4.01Å; L135-I163 HydrophobicContact CD1-CG1 4.28Å; L135-I163 HydrophobicContact CD2-CG1 4.36Å; L135-Y166 HydrophobicContact CB-CD1 4.49Å; L135-Y166 HydrophobicContact CB-CD2 3.73Å; L135-Y166 HydrophobicContact CB-CE2 3.82Å; L135-Y166 HydrophobicContact CB-CG 4.11Å; L135-Y166 HydrophobicContact CD1-CD2 4.08Å; L135-Y166 HydrophobicContact CD1-CG 4.01Å
136N95.9Very high94Very high67 Ų6738.7 Ų38.736%0.35820%0.197SC..  trans-147.7173.217362.545.8000110.5K134 E138 N139 C140 Y166K134-N136 PolarHBondContact O-N 3.27Å; N136-E138 PolarHBondContact O-N 2.89Å; N136-E138 WeakPolarHBondContact OD1-CB 3.49Å; N136-E138 PolarHBondContact OD1-N 2.89Å; N136-N139 PolarHBondContact N-OD1 3.03Å; N136-N139 PolarHBondContact ND2-ND2 3.28Å; N136-N139 PolarHBondContact O-N 3.09Å; N136-N139 PolarHBondContact O-OD1 3.45Å; N136-N139 PolarHBondContact OD1-N 3.18Å; N136-N139 PolarHBondContact OD1-ND2 3.05Å; N136-N139 PolarHBondContact OD1-OD1 2.83Å; N136-C140 WeakPolarHBondContact O-CB 3.47Å; N136-C140 PolarHBondContact O-N 3.49Å; N136-C140 PolarHBondContact O-SG 3.43Å; N136-Y166 WeakPolarHBondContact CA-OH 3.42Å
137I96.3Very high93.7Very high57 Ų5737 Ų3729%0.29219%0.189SC..THydrogen-bonded Turntrans-59.3-27.1-178.158.4174.2000113.6E173 I174I137-E173 HydrophobicContact CG2-CB 3.8Å; I137-I174 HydrophobicContact CG2-CG1 4.35Å
138E93.5Very high93.2Very high112 Ų11239.7 Ų39.752%0.52320%0.201SC..THydrogen-bonded Turntrans-83.6-37-178.1-68.3-61.3159.500113.1N136N136-E138 PolarHBondContact O-N 2.89Å; N136-E138 WeakPolarHBondContact OD1-CB 3.49Å; N136-E138 PolarHBondContact OD1-N 2.89Å
139N94.2Very high92.4Very high27 Ų2745.3 Ų45.314%0.14423%0.225CC..THydrogen-bonded Turntrans-99.9-19.4-172.472.219.6000114.6K134 N136 L141 N142 F143K134-N139 PolarHBondContact O-ND2 2.82Å; N136-N139 PolarHBondContact N-OD1 3.03Å; N136-N139 PolarHBondContact ND2-ND2 3.28Å; N136-N139 PolarHBondContact O-N 3.09Å; N136-N139 PolarHBondContact O-OD1 3.45Å; N136-N139 PolarHBondContact OD1-N 3.18Å; N136-N139 PolarHBondContact OD1-ND2 3.05Å; N136-N139 PolarHBondContact OD1-OD1 2.83Å; N139-L141 VanDerWaalsContact C-N 3.33Å; N139-L141 PolarHBondContact O-N 3.32Å; N139-N142 WeakPolarHBondContact O-CB 3.48Å; N139-N142 PolarHBondContact O-N 3.11Å; N139-F143 HydrophobicContact CB-CD2 4.14Å; N139-F143 HydrophobicContact CB-CE2 4.16Å; N139-F143 PolarHBondContact O-N 3.35Å
140C95.7Very high91Very high0 Ų051.4 Ų51.40%025%0.247CC..Hα-helixtrans-58-40.7-170.357.50000113.3L135 N136 N142 F143 W144 Y166 L167L135-C140 HydrophobicContact CD2-CB 4.07Å; N136-C140 WeakPolarHBondContact O-CB 3.47Å; N136-C140 PolarHBondContact O-N 3.49Å; N136-C140 PolarHBondContact O-SG 3.43Å; C140-N142 VanDerWaalsContact C-N 3.31Å; C140-N142 PolarHBondContact O-N 3.19Å; C140-F143 PolarHBondContact O-N 3.05Å; C140-W144 WeakPolarHBondContact O-CB 3.5Å; C140-W144 PolarHBondContact O-N 3.15Å; C140-Y166 HydrophobicContact CB-CD1 3.82Å; C140-Y166 HydrophobicContact CB-CE1 4.04Å; C140-L167 HydrophobicContact CB-CD2 3.76Å; C140-L167 VanDerWaalsContact SG-CD2 3.54Å
141L95.9Very high89.1Confident4 Ų456.2 Ų56.22%0.02127%0.273CS..Hα-helixtrans-65.7-33.1177.6-67.9177000112.6N139 W144 K145 L167 I174 N179 F180 L183N139-L141 VanDerWaalsContact C-N 3.33Å; N139-L141 PolarHBondContact O-N 3.32Å; L141-W144 HydrophobicContact CD2-CE3 4.11Å; L141-W144 PolarHBondContact O-N 3.37Å; L141-K145 WeakPolarHBondContact O-CG 3.44Å; L141-K145 PolarHBondContact O-N 3.42Å; L141-L167 HydrophobicContact CD2-CD1 4.35Å; L141-L167 HydrophobicContact CD2-CD2 3.68Å; L141-L167 HydrophobicContact CG-CD2 4.27Å; L141-I174 HydrophobicContact CD1-CG2 3.96Å; L141-I174 HydrophobicContact CD2-CG2 4.23Å; L141-I174 HydrophobicContact CG-CG2 4.09Å; L141-N179 HydrophobicContact CD1-CB 3.83Å; L141-F180 HydrophobicContact CD1-CB 4.36Å; L141-L183 HydrophobicContact CD2-CD1 4.44Å; L141-L183 HydrophobicContact CD2-CD2 4.11Å
142N93.6Very high87Confident56 Ų5657.4 Ų57.430%0.29928%0.278SS..Hα-helixtrans-72.9-42.9176.5-67.7-33.3000111L105 N139 C140 W144 K145 I146L105-N142 HydrophobicContact CD1-CB 3.85Å; L105-N142 HydrophobicContact CD2-CB 3.71Å; L105-N142 HydrophobicContact CG-CB 4.47Å; N139-N142 WeakPolarHBondContact O-CB 3.48Å; N139-N142 PolarHBondContact O-N 3.11Å; C140-N142 VanDerWaalsContact C-N 3.31Å; C140-N142 PolarHBondContact O-N 3.19Å; N142-W144 PolarHBondContact O-N 3.35Å; N142-K145 PolarHBondContact O-N 3.49Å; N142-I146 WeakPolarHBondContact O-CG1 3.48Å; N142-I146 PolarHBondContact O-N 3.24Å; N142-I146 VanDerWaalsContact O-N 3.15Å
143F92.7Very high85Confident5 Ų558.4 Ų58.42%0.02228%0.281CS..Hα-helixtrans-57.8-40.4170.7-85.1-70.7000111.3L105 I108 V131 L135 N139 C140 K145 I146 S147 F159 I163L105-F143 HydrophobicContact CD2-CB 4.33Å; L105-F143 HydrophobicContact CD2-CD1 3.8Å; L105-F143 HydrophobicContact CD2-CD2 3.66Å; L105-F143 HydrophobicContact CD2-CE1 3.94Å; L105-F143 HydrophobicContact CD2-CE2 3.81Å; L105-F143 HydrophobicContact CD2-CG 3.65Å; L105-F143 HydrophobicContact CD2-CZ 3.94Å; L105-F143 HydrophobicContact CG-CD2 4.46Å; L105-F143 HydrophobicContact CG-CE1 4.49Å; L105-F143 HydrophobicContact CG-CE2 4.15Å; L105-F143 HydrophobicContact CG-CZ 4.16Å; I108-F143 HydrophobicContact CG2-CD1 4.43Å; I108-F143 HydrophobicContact CG2-CE1 4.08Å; V131-F143 HydrophobicContact CG1-CD1 4.36Å; V131-F143 HydrophobicContact CG1-CE1 4.41Å; V131-F143 HydrophobicContact CG2-CE1 4.38Å; L135-F143 HydrophobicContact CD2-CB 4.12Å; L135-F143 HydrophobicContact CD2-CD2 3.89Å; L135-F143 HydrophobicContact CD2-CG 4.18Å; N139-F143 HydrophobicContact CB-CD2 4.14Å; N139-F143 HydrophobicContact CB-CE2 4.16Å; N139-F143 PolarHBondContact O-N 3.35Å; C140-F143 PolarHBondContact O-N 3.05Å; F143-K145 PolarHBondContact O-N 3.27Å; F143-I146 PolarHBondContact O-N 2.93Å; F143-S147 PolarHBondContact O-N 3.3Å; F143-F159 HydrophobicContact CD1-CE2 4.39Å; F143-F159 HydrophobicContact CD1-CZ 4.19Å; F143-I163 HydrophobicContact CB-CD1 3.79Å; F143-I163 HydrophobicContact CB-CG1 4.14Å; F143-I163 HydrophobicContact CB-CG2 4.22Å
144W93.1Very high83.2Confident0 Ų065.2 Ų65.20%030%0.302CS..Hα-helixtrans-64.1-43.1178.6-173.541.3000112.4C140 L141 N142 I146 S147 K148 Y160 I163 F164 L167 L183 E187 I190 L191C140-W144 WeakPolarHBondContact O-CB 3.5Å; C140-W144 PolarHBondContact O-N 3.15Å; L141-W144 HydrophobicContact CD2-CE3 4.11Å; L141-W144 PolarHBondContact O-N 3.37Å; N142-W144 PolarHBondContact O-N 3.35Å; W144-I146 VanDerWaalsContact C-N 3.28Å; W144-I146 PolarHBondContact O-N 3.49Å; W144-S147 WeakPolarHBondContact CA-OG 3.4Å; W144-S147 PolarHBondContact O-N 3.04Å; W144-S147 PolarHBondContact O-OG 2.93Å; W144-K148 WeakPolarHBondContact O-CG 3.46Å; W144-K148 PolarHBondContact O-N 3.24Å; W144-Y160 AromaticContact CD1-CE2 3.78Å; W144-Y160 AromaticContact NE1-CE2 3.24Å; W144-Y160 AromaticContact NE1-CZ 3.73Å; W144-I163 HydrophobicContact CB-CG2 3.73Å; W144-I163 HydrophobicContact CG-CG2 4.42Å; W144-F164 AromaticContact CE2-CD2 3.83Å; W144-F164 HydrophobicContact CH2-CE2 4.47Å; W144-F164 AromaticContact CZ2-CD2 3.92Å; W144-F164 HydrophobicContact CZ2-CD2 3.92Å; W144-F164 AromaticContact CZ2-CE2 3.7Å; W144-F164 HydrophobicContact CZ2-CE2 3.7Å; W144-F164 AromaticContact NE1-CD2 3.56Å; W144-L167 HydrophobicContact CB-CD1 3.72Å; W144-L167 HydrophobicContact CD2-CD1 3.31Å; W144-L167 HydrophobicContact CE3-CD1 3.46Å; W144-L167 VanDerWaalsContact CE3-CD1 3.46Å; W144-L167 HydrophobicContact CG-CD1 3.44Å; W144-L167 VanDerWaalsContact CG-CD1 3.44Å; W144-L167 HydrophobicContact CZ3-CD1 4.14Å; W144-L183 HydrophobicContact CE3-CD2 4.42Å; W144-L183 HydrophobicContact CZ3-CD2 3.97Å; W144-E187 HydrophobicContact CH2-CB 3.91Å; W144-E187 HydrophobicContact CH2-CG 4.32Å; W144-E187 WeakPolarHBondContact CH2-O 3.43Å; W144-E187 HydrophobicContact CZ3-CB 3.94Å; W144-E187 HydrophobicContact CZ3-CG 4.3Å; W144-I190 HydrophobicContact CZ2-CG2 4.14Å; W144-L191 HydrophobicContact CH2-CD1 4.08Å; W144-L191 HydrophobicContact CH2-CD2 4.17Å; W144-L191 HydrophobicContact CH2-CG 3.83Å; W144-L191 HydrophobicContact CZ3-CD1 3.94Å; W144-L191 HydrophobicContact CZ3-CG 4.2Å
145K89.8Confident81.5Confident87 Ų8770.9 Ų70.938%0.37833%0.327SS..Hα-helixtrans-56.5-42.2173.4-74.1174.6-179179.10112.1L141 N142 F143L141-K145 WeakPolarHBondContact O-CG 3.44Å; L141-K145 PolarHBondContact O-N 3.42Å; N142-K145 PolarHBondContact O-N 3.49Å; F143-K145 PolarHBondContact O-N 3.27Å
146I88.6Confident80.1Confident26 Ų2670.7 Ų70.713%0.13333%0.326CS..Hα-helixtrans-67.2-43.2177.5-63.4165000110.8L105 I108 N142 F143 W144 K148 K149 F159L105-I146 HydrophobicContact CB-CD1 4.04Å; L105-I146 HydrophobicContact CD2-CD1 3.56Å; L105-I146 HydrophobicContact CG-CD1 4.43Å; L105-I146 WeakPolarHBondContact O-CD1 3.45Å; I108-I146 HydrophobicContact CG2-CG2 4.3Å; N142-I146 WeakPolarHBondContact O-CG1 3.48Å; N142-I146 PolarHBondContact O-N 3.24Å; N142-I146 VanDerWaalsContact O-N 3.15Å; F143-I146 PolarHBondContact O-N 2.93Å; W144-I146 VanDerWaalsContact C-N 3.28Å; W144-I146 PolarHBondContact O-N 3.49Å; I146-K148 PolarHBondContact O-N 2.98Å; I146-K148 VanDerWaalsContact O-N 3.11Å; I146-K149 WeakPolarHBondContact O-CB 3.49Å; I146-K149 PolarHBondContact O-N 3.42Å; I146-K149 VanDerWaalsContact O-N 3.09Å; I146-F159 HydrophobicContact CG2-CE1 4.38Å
147S87.9Confident79.2Confident9 Ų971.2 Ų71.26%0.06334%0.335CS..Hα-helixtrans-61-21.7-178.476.30000114.2F143 W144 Y160F143-S147 PolarHBondContact O-N 3.3Å; W144-S147 WeakPolarHBondContact CA-OG 3.4Å; W144-S147 PolarHBondContact O-N 3.04Å; W144-S147 PolarHBondContact O-OG 2.93Å; S147-Y160 WeakPolarHBondContact OG-CD2 3.48Å
148K83.9Confident78.7Confident58 Ų5872.7 Ų72.725%0.25234%0.339SS..THydrogen-bonded Turntrans-86.7-7179-68.4-179.3-61.9179.20114.5W144 I146 K150 Y160 E187W144-K148 WeakPolarHBondContact O-CG 3.46Å; W144-K148 PolarHBondContact O-N 3.24Å; I146-K148 PolarHBondContact O-N 2.98Å; I146-K148 VanDerWaalsContact O-N 3.11Å; K148-K150 PolarHBondContact O-N 3.36Å; K148-Y160 HydrophobicContact CD-CE2 4.49Å; K148-Y160 HydrophobicContact CG-CD2 4.2Å; K148-Y160 HydrophobicContact CG-CE2 3.89Å; K148-E187 VanDerWaalsContact NZ-CD 3.33Å; K148-E187 VanDerWaalsContact NZ-CG 3.25Å; K148-E187 IonicContact NZ-OE1 3.63Å; K148-E187 PolarHBondContact NZ-OE1 3.2Å
149K78Confident78.6Confident120 Ų12067.9 Ų67.952%0.52232%0.316SS..SBendtrans-60.5130.7179.7-72.3-175.1175.8-178.10109.9Y109 I146 L151Y109-K149 HydrophobicContact CE2-CB 4.34Å; I146-K149 WeakPolarHBondContact O-CB 3.49Å; I146-K149 PolarHBondContact O-N 3.42Å; I146-K149 VanDerWaalsContact O-N 3.09Å; K149-L151 PolarHBondContact O-N 2.94Å
150K63.7Low78.4Confident210 Ų21068.8 Ų68.891%0.91332%0.318SS*.THydrogen-bonded Turntrans-46.8-21.5-167.6-100.8-179173.9-179.90116.7K148 F152K148-K150 PolarHBondContact O-N 3.36Å; K150-F152 VanDerWaalsContact C-N 3.31Å; K150-F152 PolarHBondContact O-N 3.45Å
151L53.7Low78.2Confident105 Ų10575 Ų7555%0.5535%0.345SS..THydrogen-bonded Turntrans-75-7.5-169.4-130.392.7000115.6Y109 K113 K149Y109-L151 HydrophobicContact CE2-CB 4.37Å; Y109-L151 VanDerWaalsContact OH-CB 3.27Å; Y109-L151 WeakPolarHBondContact OH-CB 3.48Å; Y109-L151 WeakPolarHBondContact OH-CD2 3.47Å; K113-L151 HydrophobicContact CD-CD2 4.32Å; K149-L151 PolarHBondContact O-N 2.94Å
152F52.4Low78Confident26 Ų2675.8 Ų75.811%0.11435%0.349CS..  trans-131.72.3-166.7-77.1-62.9000118.6Y109 K113 L116 K150 K154 K155 I156Y109-F152 HydrophobicContact CD2-CD2 4.08Å; Y109-F152 AromaticContact CD2-CE2 3.88Å; Y109-F152 HydrophobicContact CD2-CE2 3.88Å; Y109-F152 AromaticContact CE2-CD2 3.61Å; Y109-F152 HydrophobicContact CE2-CD2 3.61Å; Y109-F152 AromaticContact CE2-CE2 3.42Å; Y109-F152 HydrophobicContact CE2-CE2 3.42Å; Y109-F152 VanDerWaalsContact CE2-CE2 3.42Å; Y109-F152 AromaticContact CZ-CE2 3.87Å; K113-F152 HydrophobicContact CB-CE2 4.14Å; K113-F152 HydrophobicContact CB-CZ 3.6Å; K113-F152 HydrophobicContact CG-CZ 3.86Å; L116-F152 HydrophobicContact CD1-CD1 3.7Å; L116-F152 HydrophobicContact CD1-CE1 3.43Å; L116-F152 VanDerWaalsContact CD1-CE1 3.43Å; K150-F152 VanDerWaalsContact C-N 3.31Å; K150-F152 PolarHBondContact O-N 3.45Å; F152-K154 PolarHBondContact O-N 3.42Å; F152-K155 PolarHBondContact O-N 2.85Å; F152-K155 VanDerWaalsContact O-N 3.13Å; F152-I156 HydrophobicContact CB-CB 4.3Å; F152-I156 HydrophobicContact CB-CD1 3.96Å; F152-I156 HydrophobicContact CB-CG1 4.12Å; F152-I156 HydrophobicContact CD1-CB 4.44Å; F152-I156 HydrophobicContact CD1-CD1 3.16Å; F152-I156 HydrophobicContact CD1-CG1 3.41Å; F152-I156 VanDerWaalsContact CD1-CG1 3.41Å; F152-I156 HydrophobicContact CD2-CD1 3.96Å; F152-I156 HydrophobicContact CE1-CD1 3.53Å; F152-I156 HydrophobicContact CE1-CG1 4.05Å; F152-I156 HydrophobicContact CE2-CD1 4.26Å; F152-I156 HydrophobicContact CG-CD1 3.4Å; F152-I156 HydrophobicContact CG-CG1 3.91Å; F152-I156 HydrophobicContact CZ-CD1 4.07Å; F152-I156 PolarHBondContact O-N 3.14Å
153F51.9Low78Confident133 Ų13373.1 Ų73.158%0.58334%0.335SS*.THydrogen-bonded Turntrans-62.6-22.3-167.7-128.8-92.9000115.1Y160F153-Y160 HydrophobicContact CE2-CD2 4.49Å
154K55.7Low78.2Confident208 Ų20873.7 Ų73.790%0.90434%0.337SS*.THydrogen-bonded Turntrans-97.6-25.8173.4-88.1-175174.5-179.10115.6F152F152-K154 PolarHBondContact O-N 3.42Å
155K58.5Low78.2Confident164 Ų16476 Ų7671%0.71335%0.35SS*.THydrogen-bonded Turntrans-103.2-23.4-174-74.2-169.4177.4-175.60115.1L116 F152L116-K155 HydrophobicContact CD1-CB 3.77Å; F152-K155 PolarHBondContact O-N 2.85Å; F152-K155 VanDerWaalsContact O-N 3.13Å
156I66.6Low78.5Confident10 Ų1073.9 Ų73.95%0.05134%0.34CS..  trans-124.849.7174.8-37.6168.2000111L112 L116 L128 F152 K158 F159L112-I156 HydrophobicContact CB-CD1 3.66Å; L112-I156 HydrophobicContact CD1-CD1 4.1Å; L112-I156 HydrophobicContact CG-CD1 4.41Å; L116-I156 HydrophobicContact CD1-CD1 3.68Å; L116-I156 HydrophobicContact CD1-CG1 3.19Å; L116-I156 HydrophobicContact CG-CG1 4.24Å; L128-I156 HydrophobicContact CD1-CG2 4.26Å; L128-I156 HydrophobicContact CD2-CG2 4.35Å; F152-I156 HydrophobicContact CB-CB 4.3Å; F152-I156 HydrophobicContact CB-CD1 3.96Å; F152-I156 HydrophobicContact CB-CG1 4.12Å; F152-I156 HydrophobicContact CD1-CB 4.44Å; F152-I156 HydrophobicContact CD1-CD1 3.16Å; F152-I156 HydrophobicContact CD1-CG1 3.41Å; F152-I156 VanDerWaalsContact CD1-CG1 3.41Å; F152-I156 HydrophobicContact CD2-CD1 3.96Å; F152-I156 HydrophobicContact CE1-CD1 3.53Å; F152-I156 HydrophobicContact CE1-CG1 4.05Å; F152-I156 HydrophobicContact CE2-CD1 4.26Å; F152-I156 HydrophobicContact CG-CD1 3.4Å; F152-I156 HydrophobicContact CG-CG1 3.91Å; F152-I156 HydrophobicContact CZ-CD1 4.07Å; F152-I156 PolarHBondContact O-N 3.14Å; I156-K158 PolarHBondContact O-N 2.82Å; I156-K158 VanDerWaalsContact O-N 3.14Å; I156-F159 HydrophobicContact CB-CB 4.22Å; I156-F159 HydrophobicContact CG2-CB 3.33Å; I156-F159 PolarHBondContact O-N 2.99Å; I156-F159 VanDerWaalsContact O-N 3.14Å
157S77.9Confident78.9Confident79 Ų7972.7 Ų72.755%0.55233%0.334SS*.Hα-helixtrans-54.1-31.4170.658.90000111.5F159 K161S157-F159 PolarHBondContact O-N 2.89Å; S157-K161 WeakPolarHBondContact O-CB 3.2Å; S157-K161 PolarHBondContact O-N 3.41Å
158K86.3Confident79.3Confident88 Ų8872.3 Ų72.338%0.38333%0.331SS..Hα-helixtrans-61.3-39.7177.7-163179.9178.1-160.40113.3N125 L128 I156 K161 I162N125-K158 PolarHBondContact OD1-NZ 3.13Å; N125-K158 VanDerWaalsContact OD1-NZ 3.13Å; L128-K158 HydrophobicContact CD1-CB 3.92Å; L128-K158 HydrophobicContact CD1-CD 3.76Å; L128-K158 HydrophobicContact CD1-CG 3.94Å; I156-K158 PolarHBondContact O-N 2.82Å; I156-K158 VanDerWaalsContact O-N 3.14Å; K158-K161 PolarHBondContact O-N 3.49Å; K158-I162 HydrophobicContact CG-CD1 3.93Å; K158-I162 HydrophobicContact CG-CG1 4.44Å; K158-I162 WeakPolarHBondContact O-CB 3.41Å; K158-I162 VanDerWaalsContact O-CG1 3.24Å; K158-I162 WeakPolarHBondContact O-CG1 3.42Å; K158-I162 PolarHBondContact O-N 3.4Å
159F89.9Confident79.9Confident10 Ų1072.1 Ų72.14%0.04433%0.332CS..Hα-helixtrans-66.8-51.9-179.3179.8-128.6000111.8I108 L112 L128 V131 F143 I146 I156 S157 K161 I162 I163I108-F159 HydrophobicContact CG1-CE2 3.97Å; I108-F159 HydrophobicContact CG1-CZ 3.98Å; I108-F159 HydrophobicContact CG2-CZ 4.27Å; L112-F159 HydrophobicContact CD1-CB 4.39Å; L112-F159 HydrophobicContact CD1-CD1 4.09Å; L112-F159 HydrophobicContact CD1-CD2 4Å; L112-F159 HydrophobicContact CD1-CE1 4.31Å; L112-F159 HydrophobicContact CD1-CE2 4.19Å; L112-F159 HydrophobicContact CD1-CG 3.94Å; L112-F159 HydrophobicContact CD1-CZ 4.36Å; L128-F159 HydrophobicContact CD2-CB 3.54Å; L128-F159 HydrophobicContact CD2-CD2 3.5Å; L128-F159 HydrophobicContact CD2-CG 3.91Å; V131-F159 HydrophobicContact CB-CE2 4.41Å; V131-F159 HydrophobicContact CG1-CD2 4.27Å; V131-F159 HydrophobicContact CG1-CE2 3.8Å; V131-F159 HydrophobicContact CG2-CE2 3.99Å; F143-F159 HydrophobicContact CD1-CE2 4.39Å; F143-F159 HydrophobicContact CD1-CZ 4.19Å; I146-F159 HydrophobicContact CG2-CE1 4.38Å; I156-F159 HydrophobicContact CB-CB 4.22Å; I156-F159 HydrophobicContact CG2-CB 3.33Å; I156-F159 PolarHBondContact O-N 2.99Å; I156-F159 VanDerWaalsContact O-N 3.14Å; S157-F159 PolarHBondContact O-N 2.89Å; F159-K161 VanDerWaalsContact C-N 3.28Å; F159-K161 PolarHBondContact O-N 3.42Å; F159-I162 PolarHBondContact O-N 2.95Å; F159-I163 HydrophobicContact CD1-CD1 4.15Å; F159-I163 HydrophobicContact CD2-CD1 3.67Å; F159-I163 HydrophobicContact CD2-CG1 4.44Å; F159-I163 HydrophobicContact CE1-CD1 3.89Å; F159-I163 HydrophobicContact CE2-CD1 3.41Å; F159-I163 VanDerWaalsContact CE2-CD1 3.41Å; F159-I163 HydrophobicContact CE2-CG1 4.35Å; F159-I163 HydrophobicContact CG-CD1 4.05Å; F159-I163 HydrophobicContact CZ-CD1 3.51Å; F159-I163 WeakPolarHBondContact O-CD1 3.46Å; F159-I163 WeakPolarHBondContact O-CG1 3.12Å; F159-I163 PolarHBondContact O-N 2.94Å
160Y90.7Very high80.7Confident47 Ų4769.2 Ų69.218%0.18432%0.32CS..Hα-helixtrans-57.3-45.6174.2177.5-88.1000110.5W144 S147 K148 F153 I162 I163 F164W144-Y160 AromaticContact CD1-CE2 3.78Å; W144-Y160 AromaticContact NE1-CE2 3.24Å; W144-Y160 AromaticContact NE1-CZ 3.73Å; S147-Y160 WeakPolarHBondContact OG-CD2 3.48Å; K148-Y160 HydrophobicContact CD-CE2 4.49Å; K148-Y160 HydrophobicContact CG-CD2 4.2Å; K148-Y160 HydrophobicContact CG-CE2 3.89Å; F153-Y160 HydrophobicContact CE2-CD2 4.49Å; Y160-I162 PolarHBondContact O-N 2.78Å; Y160-I163 PolarHBondContact O-N 3.16Å; Y160-F164 HydrophobicContact CD1-CB 4.14Å; Y160-F164 HydrophobicContact CE1-CB 3.81Å; Y160-F164 HydrophobicContact CE1-CD1 4.08Å; Y160-F164 HydrophobicContact CE1-CD2 4.33Å; Y160-F164 AromaticContact CE1-CG 3.82Å; Y160-F164 HydrophobicContact CE1-CG 3.82Å; Y160-F164 AromaticContact CZ-CD2 3.97Å; Y160-F164 AromaticContact CZ-CG 3.94Å; Y160-F164 WeakPolarHBondContact O-CB 3.24Å; Y160-F164 PolarHBondContact O-N 2.69Å
161K90.9Very high82.3Confident131 Ų13159.3 Ų59.357%0.5728%0.277SS*.Hα-helixtrans-61.5-45.1-178.6-172.4175.5-178.3179.30112.7S157 K158 F159 N165S157-K161 WeakPolarHBondContact O-CB 3.2Å; S157-K161 PolarHBondContact O-N 3.41Å; K158-K161 PolarHBondContact O-N 3.49Å; F159-K161 VanDerWaalsContact C-N 3.28Å; F159-K161 PolarHBondContact O-N 3.42Å; K161-N165 WeakPolarHBondContact O-CB 3.18Å; K161-N165 PolarHBondContact O-N 2.88Å; K161-N165 PolarHBondContact O-OD1 3.38Å
162I92.1Very high84.2Confident20 Ų2056 Ų5610%0.10326%0.26CS..Hα-helixtrans-58.1-51.3177.1-73164.4000110.3L128 Q132 L135 K158 F159 Y160 Y166L128-I162 HydrophobicContact CB-CD1 3.92Å; Q132-I162 HydrophobicContact CB-CG2 3.87Å; Q132-I162 HydrophobicContact CG-CG2 4.01Å; L135-I162 HydrophobicContact CD1-CG2 4.01Å; K158-I162 HydrophobicContact CG-CD1 3.93Å; K158-I162 HydrophobicContact CG-CG1 4.44Å; K158-I162 WeakPolarHBondContact O-CB 3.41Å; K158-I162 VanDerWaalsContact O-CG1 3.24Å; K158-I162 WeakPolarHBondContact O-CG1 3.42Å; K158-I162 PolarHBondContact O-N 3.4Å; F159-I162 PolarHBondContact O-N 2.95Å; Y160-I162 PolarHBondContact O-N 2.78Å; I162-Y166 PolarHBondContact O-N 3.48Å
163I94.7Very high86.2Confident0 Ų059.4 Ų59.40%028%0.276CS..Hα-helixtrans-67-46.1-177.5-62.1160.1000110.8V131 L135 F143 W144 F159 Y160 N165 Y166 L167V131-I163 HydrophobicContact CG1-CG1 4.48Å; L135-I163 HydrophobicContact CD1-CG1 4.28Å; L135-I163 HydrophobicContact CD2-CG1 4.36Å; F143-I163 HydrophobicContact CB-CD1 3.79Å; F143-I163 HydrophobicContact CB-CG1 4.14Å; F143-I163 HydrophobicContact CB-CG2 4.22Å; W144-I163 HydrophobicContact CB-CG2 3.73Å; W144-I163 HydrophobicContact CG-CG2 4.42Å; F159-I163 HydrophobicContact CD1-CD1 4.15Å; F159-I163 HydrophobicContact CD2-CD1 3.67Å; F159-I163 HydrophobicContact CD2-CG1 4.44Å; F159-I163 HydrophobicContact CE1-CD1 3.89Å; F159-I163 HydrophobicContact CE2-CD1 3.41Å; F159-I163 VanDerWaalsContact CE2-CD1 3.41Å; F159-I163 HydrophobicContact CE2-CG1 4.35Å; F159-I163 HydrophobicContact CG-CD1 4.05Å; F159-I163 HydrophobicContact CZ-CD1 3.51Å; F159-I163 WeakPolarHBondContact O-CD1 3.46Å; F159-I163 WeakPolarHBondContact O-CG1 3.12Å; F159-I163 PolarHBondContact O-N 2.94Å; Y160-I163 PolarHBondContact O-N 3.16Å; I163-N165 VanDerWaalsContact C-N 3.35Å; I163-N165 PolarHBondContact O-N 3.18Å; I163-Y166 WeakPolarHBondContact O-CB 3.37Å; I163-Y166 PolarHBondContact O-N 3.35Å; I163-Y166 VanDerWaalsContact O-N 3.16Å; I163-L167 WeakPolarHBondContact O-CG 3.42Å; I163-L167 PolarHBondContact O-N 3.07Å
164F95Very high88.4Confident17 Ų1753.1 Ų53.18%0.07525%0.249CC..Hα-helixtrans-65-40.7-177.7-167.5-113.1000111.2W144 Y160 Y166 L167 L168 I190 L191 N194W144-F164 AromaticContact CE2-CD2 3.83Å; W144-F164 HydrophobicContact CH2-CE2 4.47Å; W144-F164 AromaticContact CZ2-CD2 3.92Å; W144-F164 HydrophobicContact CZ2-CD2 3.92Å; W144-F164 AromaticContact CZ2-CE2 3.7Å; W144-F164 HydrophobicContact CZ2-CE2 3.7Å; W144-F164 AromaticContact NE1-CD2 3.56Å; Y160-F164 HydrophobicContact CD1-CB 4.14Å; Y160-F164 HydrophobicContact CE1-CB 3.81Å; Y160-F164 HydrophobicContact CE1-CD1 4.08Å; Y160-F164 HydrophobicContact CE1-CD2 4.33Å; Y160-F164 AromaticContact CE1-CG 3.82Å; Y160-F164 HydrophobicContact CE1-CG 3.82Å; Y160-F164 AromaticContact CZ-CD2 3.97Å; Y160-F164 AromaticContact CZ-CG 3.94Å; Y160-F164 WeakPolarHBondContact O-CB 3.24Å; Y160-F164 PolarHBondContact O-N 2.69Å; F164-Y166 VanDerWaalsContact C-N 3.34Å; F164-Y166 PolarHBondContact O-N 3.18Å; F164-L167 HydrophobicContact CD2-CD1 4.37Å; F164-L167 WeakPolarHBondContact O-CB 3.46Å; F164-L167 PolarHBondContact O-N 3.41Å; F164-L168 HydrophobicContact CD1-CD1 3.83Å; F164-L168 HydrophobicContact CD1-CG 4.34Å; F164-L168 HydrophobicContact CE1-CD1 3.64Å; F164-L168 HydrophobicContact CE1-CD2 4.33Å; F164-L168 HydrophobicContact CE1-CG 4.16Å; F164-L168 HydrophobicContact CZ-CD1 4.3Å; F164-L168 HydrophobicContact CZ-CD2 4.16Å; F164-L168 HydrophobicContact CZ-CG 4.39Å; F164-L168 VanDerWaalsContact O-CG 3.31Å; F164-L168 WeakPolarHBondContact O-CG 3.36Å; F164-L168 PolarHBondContact O-N 2.88Å; F164-I190 HydrophobicContact CE2-CG2 3.64Å; F164-I190 HydrophobicContact CZ-CG2 3.58Å; F164-L191 HydrophobicContact CD2-CD2 4.3Å; F164-L191 HydrophobicContact CE2-CD2 3.62Å; F164-L191 HydrophobicContact CZ-CD2 4.28Å; F164-N194 WeakPolarHBondContact CE1-ND2 3.45Å
165N94.2Very high90.3Very high48 Ų4843.5 Ų43.526%0.25721%0.207SC..Hα-helixtrans-59.3-44.7171.8-73.9-3.2000111.4K161 I163 L167 L168 I169K161-N165 WeakPolarHBondContact O-CB 3.18Å; K161-N165 PolarHBondContact O-N 2.88Å; K161-N165 PolarHBondContact O-OD1 3.38Å; I163-N165 VanDerWaalsContact C-N 3.35Å; I163-N165 PolarHBondContact O-N 3.18Å; N165-L167 VanDerWaalsContact C-N 3.31Å; N165-L167 PolarHBondContact O-N 3.05Å; N165-L168 PolarHBondContact O-N 3.42Å; N165-I169 WeakPolarHBondContact O-CB 3.42Å; N165-I169 WeakPolarHBondContact O-CD1 3.26Å; N165-I169 WeakPolarHBondContact O-CG1 3.21Å; N165-I169 PolarHBondContact O-N 2.59Å
166Y96.1Very high92Very high42 Ų4242.6 Ų42.617%0.16520%0.203CC..Hα-helixtrans-57.3-44.8174.9-172.1-77.4000111.5L135 N136 C140 I162 I163 F164 L168 I169 H170L135-Y166 HydrophobicContact CB-CD1 4.49Å; L135-Y166 HydrophobicContact CB-CD2 3.73Å; L135-Y166 HydrophobicContact CB-CE2 3.82Å; L135-Y166 HydrophobicContact CB-CG 4.11Å; L135-Y166 HydrophobicContact CD1-CD2 4.08Å; L135-Y166 HydrophobicContact CD1-CG 4.01Å; N136-Y166 WeakPolarHBondContact CA-OH 3.42Å; C140-Y166 HydrophobicContact CB-CD1 3.82Å; C140-Y166 HydrophobicContact CB-CE1 4.04Å; I162-Y166 PolarHBondContact O-N 3.48Å; I163-Y166 WeakPolarHBondContact O-CB 3.37Å; I163-Y166 PolarHBondContact O-N 3.35Å; I163-Y166 VanDerWaalsContact O-N 3.16Å; F164-Y166 VanDerWaalsContact C-N 3.34Å; F164-Y166 PolarHBondContact O-N 3.18Å; Y166-L168 VanDerWaalsContact C-N 3.32Å; Y166-L168 PolarHBondContact O-N 3.29Å; Y166-I169 PolarHBondContact O-N 3.05Å; Y166-H170 HydrophobicContact CD1-CB 4.35Å; Y166-H170 AromaticContact CD1-CD2 3.83Å; Y166-H170 AromaticContact CD2-CD2 3.71Å; Y166-H170 HydrophobicContact CE1-CB 3.94Å; Y166-H170 AromaticContact CE1-CD2 3.63Å; Y166-H170 AromaticContact CE1-CG 3.85Å; Y166-H170 AromaticContact CE2-CD2 3.54Å; Y166-H170 AromaticContact CE2-NE2 3.63Å; Y166-H170 AromaticContact CG-CD2 3.83Å; Y166-H170 AromaticContact CZ-CD2 3.46Å; Y166-H170 VanDerWaalsContact CZ-CD2 3.46Å; Y166-H170 AromaticContact CZ-CG 3.84Å; Y166-H170 AromaticContact CZ-NE2 3.85Å; Y166-H170 WeakPolarHBondContact O-CB 3.49Å; Y166-H170 PolarHBondContact O-CD2 2.79Å; Y166-H170 PolarHBondContact O-N 2.93Å
167L97.1Very high93.4Very high2 Ų242.8 Ų42.81%0.0121%0.205CC..Hα-helixtrans-59.6-41.9177.5-67.9179.4000112.6C140 L141 W144 I163 F164 N165 F171 I174 L191C140-L167 HydrophobicContact CB-CD2 3.76Å; C140-L167 VanDerWaalsContact SG-CD2 3.54Å; L141-L167 HydrophobicContact CD2-CD1 4.35Å; L141-L167 HydrophobicContact CD2-CD2 3.68Å; L141-L167 HydrophobicContact CG-CD2 4.27Å; W144-L167 HydrophobicContact CB-CD1 3.72Å; W144-L167 HydrophobicContact CD2-CD1 3.31Å; W144-L167 HydrophobicContact CE3-CD1 3.46Å; W144-L167 VanDerWaalsContact CE3-CD1 3.46Å; W144-L167 HydrophobicContact CG-CD1 3.44Å; W144-L167 VanDerWaalsContact CG-CD1 3.44Å; W144-L167 HydrophobicContact CZ3-CD1 4.14Å; I163-L167 WeakPolarHBondContact O-CG 3.42Å; I163-L167 PolarHBondContact O-N 3.07Å; F164-L167 HydrophobicContact CD2-CD1 4.37Å; F164-L167 WeakPolarHBondContact O-CB 3.46Å; F164-L167 PolarHBondContact O-N 3.41Å; N165-L167 VanDerWaalsContact C-N 3.31Å; N165-L167 PolarHBondContact O-N 3.05Å; L167-F171 WeakPolarHBondContact O-CA 3.43Å; L167-F171 WeakPolarHBondContact O-CB 3.31Å; L167-F171 PolarHBondContact O-N 3.44Å; L167-F171 VanDerWaalsContact O-N 3.16Å; L167-I174 HydrophobicContact CD2-CD1 3.74Å; L167-L191 HydrophobicContact CB-CD2 4.08Å; L167-L191 HydrophobicContact CD1-CD2 4.3Å
168L96.8Very high94.2Very high1 Ų147.3 Ų47.31%0.00521%0.214CC..Hα-helixtrans-69.5-41.8-179.8-65175000111.8F164 N165 Y166 L191 N194 L196 L197 N198F164-L168 HydrophobicContact CD1-CD1 3.83Å; F164-L168 HydrophobicContact CD1-CG 4.34Å; F164-L168 HydrophobicContact CE1-CD1 3.64Å; F164-L168 HydrophobicContact CE1-CD2 4.33Å; F164-L168 HydrophobicContact CE1-CG 4.16Å; F164-L168 HydrophobicContact CZ-CD1 4.3Å; F164-L168 HydrophobicContact CZ-CD2 4.16Å; F164-L168 HydrophobicContact CZ-CG 4.39Å; F164-L168 VanDerWaalsContact O-CG 3.31Å; F164-L168 WeakPolarHBondContact O-CG 3.36Å; F164-L168 PolarHBondContact O-N 2.88Å; N165-L168 PolarHBondContact O-N 3.42Å; Y166-L168 VanDerWaalsContact C-N 3.32Å; Y166-L168 PolarHBondContact O-N 3.29Å; L168-L191 HydrophobicContact CD2-CD2 4.09Å; L168-N194 HydrophobicContact CD1-CB 4.36Å; L168-N194 WeakPolarHBondContact CD1-OD1 3.32Å; L168-N194 HydrophobicContact CD2-CB 3.77Å; L168-L196 HydrophobicContact CD1-CB 4.07Å; L168-L197 HydrophobicContact CD2-CB 4.22Å; L168-L197 HydrophobicContact CD2-CD1 3.73Å; L168-N198 WeakPolarHBondContact O-CB 3.46Å; L168-N198 PolarHBondContact O-N 2.69Å
169I95Very high94.6Very high53 Ų5345 Ų4527%0.27221%0.206SC..Hα-helixtrans-65.6-47.2179.8-65.6167.4000111.1N165 Y166 N198 Y300N165-I169 WeakPolarHBondContact O-CB 3.42Å; N165-I169 WeakPolarHBondContact O-CD1 3.26Å; N165-I169 WeakPolarHBondContact O-CG1 3.21Å; N165-I169 PolarHBondContact O-N 2.59Å; Y166-I169 PolarHBondContact O-N 3.05Å; I169-N198 WeakPolarHBondContact O-CB 3.36Å; I169-N198 PolarHBondContact O-ND2 3.47Å; I169-Y300 HydrophobicContact CB-CE1 4.34Å; I169-Y300 HydrophobicContact CG1-CE1 3.68Å; I169-Y300 HydrophobicContact CG2-CE1 4.43Å
170H95.5Very high94.9Very high59 Ų5944.5 Ų44.527%0.27320%0.204SC..THydrogen-bonded Turntrans-96.917.2-173-64.8-83.2000113.3Y166 N172 E173 I174Y166-H170 HydrophobicContact CD1-CB 4.35Å; Y166-H170 AromaticContact CD1-CD2 3.83Å; Y166-H170 AromaticContact CD2-CD2 3.71Å; Y166-H170 HydrophobicContact CE1-CB 3.94Å; Y166-H170 AromaticContact CE1-CD2 3.63Å; Y166-H170 AromaticContact CE1-CG 3.85Å; Y166-H170 AromaticContact CE2-CD2 3.54Å; Y166-H170 AromaticContact CE2-NE2 3.63Å; Y166-H170 AromaticContact CG-CD2 3.83Å; Y166-H170 AromaticContact CZ-CD2 3.46Å; Y166-H170 VanDerWaalsContact CZ-CD2 3.46Å; Y166-H170 AromaticContact CZ-CG 3.84Å; Y166-H170 AromaticContact CZ-NE2 3.85Å; Y166-H170 WeakPolarHBondContact O-CB 3.49Å; Y166-H170 PolarHBondContact O-CD2 2.79Å; Y166-H170 PolarHBondContact O-N 2.93Å; H170-N172 VanDerWaalsContact C-N 3.26Å; H170-N172 PolarHBondContact O-N 3.49Å; H170-E173 IonicContact ND1-OE2 3.36Å; H170-E173 PolarHBondContact ND1-OE2 2.82Å; H170-E173 PolarHBondContact O-N 2.8Å; H170-I174 HydrophobicContact CB-CD1 3.88Å; H170-I174 HydrophobicContact CB-CG1 4.35Å; H170-I174 WeakPolarHBondContact O-CD1 3.25Å; H170-I174 WeakPolarHBondContact O-CG1 3.42Å; H170-I174 PolarHBondContact O-N 3.38Å
171F96.8Very high95.2Very high2 Ų243.5 Ų43.51%0.00920%0.202CC..Hα-helixtrans-56.4-38.4-174.7-178-99000113.3L167 E173 I174 N175 F180 L191 L192 L197 L205 I208L167-F171 WeakPolarHBondContact O-CA 3.43Å; L167-F171 WeakPolarHBondContact O-CB 3.31Å; L167-F171 PolarHBondContact O-N 3.44Å; L167-F171 VanDerWaalsContact O-N 3.16Å; F171-E173 PolarHBondContact O-N 3.21Å; F171-I174 PolarHBondContact O-N 3.45Å; F171-N175 HydrophobicContact CE1-CB 4.47Å; F171-N175 HydrophobicContact CZ-CB 4.47Å; F171-N175 PolarHBondContact O-N 2.8Å; F171-N175 PolarHBondContact O-ND2 3.28Å; F171-F180 AromaticContact CE2-CE2 3.72Å; F171-F180 HydrophobicContact CE2-CE2 3.72Å; F171-F180 HydrophobicContact CE2-CZ 4.3Å; F171-F180 HydrophobicContact CZ-CE2 4.09Å; F171-F180 HydrophobicContact CZ-CZ 4.21Å; F171-L191 HydrophobicContact CE2-CB 4.44Å; F171-L191 HydrophobicContact CE2-CD1 4.37Å; F171-L192 HydrophobicContact CZ-CD2 4.41Å; F171-L197 HydrophobicContact CB-CD1 3.78Å; F171-L197 HydrophobicContact CD1-CD1 3.98Å; F171-L197 HydrophobicContact CD1-CD2 4.42Å; F171-L197 HydrophobicContact CD1-CG 4.26Å; F171-L197 HydrophobicContact CD2-CD1 3.54Å; F171-L197 HydrophobicContact CE1-CD1 4.46Å; F171-L197 HydrophobicContact CE1-CD2 4.32Å; F171-L197 HydrophobicContact CE2-CD1 4.04Å; F171-L197 HydrophobicContact CG-CD1 3.48Å; F171-L197 VanDerWaalsContact CG-CD1 3.48Å; F171-L197 HydrophobicContact CG-CG 4.24Å; F171-L197 HydrophobicContact CZ-CD1 4.48Å; F171-L197 HydrophobicContact CZ-CD2 4.46Å; F171-L205 HydrophobicContact CD1-CD2 4.24Å; F171-L205 HydrophobicContact CE1-CD2 3.46Å; F171-L205 VanDerWaalsContact CE1-CD2 3.46Å; F171-L205 HydrophobicContact CZ-CD2 4.16Å; F171-I208 HydrophobicContact CE1-CD1 3.68Å; F171-I208 HydrophobicContact CZ-CD1 4.34Å; F171-I208 HydrophobicContact CZ-CG2 4.3Å
172N93.7Very high95.4Very high36 Ų3642.7 Ų42.719%0.19320%0.198CC..Hα-helixtrans-58.9-28.7177.6-82.1-9.4000113.8H170 N175 K176 N198 Y204H170-N172 VanDerWaalsContact C-N 3.26Å; H170-N172 PolarHBondContact O-N 3.49Å; N172-N175 VanDerWaalsContact CA-ND2 3.27Å; N172-N175 WeakPolarHBondContact CA-ND2 3.26Å; N172-N175 PolarHBondContact O-ND2 3.41Å; N172-K176 WeakPolarHBondContact O-CE 3.49Å; N172-N198 PolarHBondContact OD1-O 2.89Å; N172-Y204 VanDerWaalsContact OD1-CE1 3.31Å; N172-Y204 WeakPolarHBondContact OD1-CE1 3.17Å
173E95.5Very high95.6Very high97 Ų9741.8 Ų41.845%0.45319%0.194SC..Hα-helixtrans-90.6-43.4176-60177.6144.400110.6I137 H170 F171 N175 K176I137-E173 HydrophobicContact CG2-CB 3.8Å; H170-E173 IonicContact ND1-OE2 3.36Å; H170-E173 PolarHBondContact ND1-OE2 2.82Å; H170-E173 PolarHBondContact O-N 2.8Å; F171-E173 PolarHBondContact O-N 3.21Å; E173-N175 VanDerWaalsContact C-N 3.32Å; E173-N175 PolarHBondContact O-N 3.43Å; E173-K176 VanDerWaalsContact O-CB 3.32Å; E173-K176 WeakPolarHBondContact O-CB 3.48Å; E173-K176 PolarHBondContact O-N 3.18Å
174I96.8Very high95.7Very high2 Ų245.4 Ų45.41%0.0121%0.213CC..Hα-helixtrans-61-39.1-176.4-66.5162.4000111.7I137 L141 L167 H170 F171 K176 T177 F180I137-I174 HydrophobicContact CG2-CG1 4.35Å; L141-I174 HydrophobicContact CD1-CG2 3.96Å; L141-I174 HydrophobicContact CD2-CG2 4.23Å; L141-I174 HydrophobicContact CG-CG2 4.09Å; L167-I174 HydrophobicContact CD2-CD1 3.74Å; H170-I174 HydrophobicContact CB-CD1 3.88Å; H170-I174 HydrophobicContact CB-CG1 4.35Å; H170-I174 WeakPolarHBondContact O-CD1 3.25Å; H170-I174 WeakPolarHBondContact O-CG1 3.42Å; H170-I174 PolarHBondContact O-N 3.38Å; F171-I174 PolarHBondContact O-N 3.45Å; I174-K176 PolarHBondContact O-N 2.95Å; I174-K176 VanDerWaalsContact O-N 3.09Å; I174-T177 WeakPolarHBondContact O-CB 3.44Å; I174-T177 WeakPolarHBondContact O-CG2 3.36Å; I174-T177 PolarHBondContact O-N 3Å; I174-T177 PolarHBondContact O-OG1 3.36Å; I174-F180 HydrophobicContact CG2-CD2 4.46Å; I174-F180 WeakPolarHBondContact O-CB 3.45Å
175N95.7Very high95.8Very high5 Ų546.1 Ų46.13%0.02722%0.218CC..THydrogen-bonded Turntrans-64.3-15.5179.880.279.5000114F171 N172 E173 F180 Y204 I208 K211F171-N175 HydrophobicContact CE1-CB 4.47Å; F171-N175 HydrophobicContact CZ-CB 4.47Å; F171-N175 PolarHBondContact O-N 2.8Å; F171-N175 PolarHBondContact O-ND2 3.28Å; N172-N175 VanDerWaalsContact CA-ND2 3.27Å; N172-N175 WeakPolarHBondContact CA-ND2 3.26Å; N172-N175 PolarHBondContact O-ND2 3.41Å; E173-N175 VanDerWaalsContact C-N 3.32Å; E173-N175 PolarHBondContact O-N 3.43Å; N175-F180 HydrophobicContact CB-CD1 4.17Å; N175-F180 HydrophobicContact CB-CD2 4.33Å; N175-F180 HydrophobicContact CB-CE1 4.13Å; N175-F180 HydrophobicContact CB-CE2 4.29Å; N175-F180 HydrophobicContact CB-CG 4.28Å; N175-F180 HydrophobicContact CB-CZ 4.19Å; N175-Y204 PolarHBondContact ND2-OH 3.39Å; N175-I208 HydrophobicContact CB-CD1 3.9Å; N175-I208 HydrophobicContact CB-CG1 4.31Å; N175-I208 HydrophobicContact CB-CG2 4.08Å; N175-I208 VanDerWaalsContact CG-CD1 3.42Å; N175-K211 PolarHBondContact O-NZ 3.2Å
176K95.5Very high95.9Very high145 Ų14549.6 Ų49.663%0.6324%0.235SC*.THydrogen-bonded Turntrans-79.6-21.3175.2-58.1176.8-178.2174.50111.9N172 E173 I174N172-K176 WeakPolarHBondContact O-CE 3.49Å; E173-K176 VanDerWaalsContact O-CB 3.32Å; E173-K176 WeakPolarHBondContact O-CB 3.48Å; E173-K176 PolarHBondContact O-N 3.18Å; I174-K176 PolarHBondContact O-N 2.95Å; I174-K176 VanDerWaalsContact O-N 3.09Å
177T96Very high95.8Very high14 Ų1448.4 Ų48.49%0.08623%0.231CC..SBendtrans-74.3154.6-177.472.20000113.1I174 N179 F180I174-T177 WeakPolarHBondContact O-CB 3.44Å; I174-T177 WeakPolarHBondContact O-CG2 3.36Å; I174-T177 PolarHBondContact O-N 3Å; I174-T177 PolarHBondContact O-OG1 3.36Å; T177-N179 VanDerWaalsContact C-N 3.28Å; T177-N179 PolarHBondContact O-N 2.87Å; T177-F180 PolarHBondContact O-N 3.17Å; T177-F180 PolarHBondContact OG1-N 3.15Å
178K94.3Very high95.9Very high174 Ų17448.3 Ų48.376%0.75723%0.23SC*.Hα-helixtrans-66.4-30.5173.1-67.3-177.8-179.1177.40112.4F180 L181K178-F180 VanDerWaalsContact C-N 3.28Å; K178-F180 PolarHBondContact O-N 3.36Å; K178-L181 PolarHBondContact O-N 3.4Å
179N93.5Very high95.9Very high40 Ų4050.4 Ų50.421%0.21424%0.239CC..Hα-helixtrans-67.3-29.9-179-75-25.5000112.3L141 T177 L181 K182L141-N179 HydrophobicContact CD1-CB 3.83Å; T177-N179 VanDerWaalsContact C-N 3.28Å; T177-N179 PolarHBondContact O-N 2.87Å; N179-L181 PolarHBondContact O-N 3.16Å; N179-K182 WeakPolarHBondContact O-CB 3.49Å; N179-K182 PolarHBondContact O-N 3.43Å
180F96.9Very high96Very high0 Ų051 Ų510%024%0.242CC..Hα-helixtrans-60.8-41.9174175.7-97.3000112.7L141 F171 I174 N175 T177 K178 K182 L183 L188 I208 W212L141-F180 HydrophobicContact CD1-CB 4.36Å; F171-F180 AromaticContact CE2-CE2 3.72Å; F171-F180 HydrophobicContact CE2-CE2 3.72Å; F171-F180 HydrophobicContact CE2-CZ 4.3Å; F171-F180 HydrophobicContact CZ-CE2 4.09Å; F171-F180 HydrophobicContact CZ-CZ 4.21Å; I174-F180 HydrophobicContact CG2-CD2 4.46Å; I174-F180 WeakPolarHBondContact O-CB 3.45Å; N175-F180 HydrophobicContact CB-CD1 4.17Å; N175-F180 HydrophobicContact CB-CD2 4.33Å; N175-F180 HydrophobicContact CB-CE1 4.13Å; N175-F180 HydrophobicContact CB-CE2 4.29Å; N175-F180 HydrophobicContact CB-CG 4.28Å; N175-F180 HydrophobicContact CB-CZ 4.19Å; T177-F180 PolarHBondContact O-N 3.17Å; T177-F180 PolarHBondContact OG1-N 3.15Å; K178-F180 VanDerWaalsContact C-N 3.28Å; K178-F180 PolarHBondContact O-N 3.36Å; F180-K182 PolarHBondContact O-N 2.97Å; F180-K182 VanDerWaalsContact O-N 3.1Å; F180-L183 HydrophobicContact CD2-CD1 3.69Å; F180-L183 HydrophobicContact CE2-CD1 3.84Å; F180-L183 WeakPolarHBondContact O-CB 3.14Å; F180-L183 VanDerWaalsContact O-CG 3.3Å; F180-L183 WeakPolarHBondContact O-CG 3.42Å; F180-L183 PolarHBondContact O-N 3.37Å; F180-L188 HydrophobicContact CE2-CD1 3.97Å; F180-L188 HydrophobicContact CZ-CD1 3.66Å; F180-I208 HydrophobicContact CE1-CG2 3.51Å; F180-I208 HydrophobicContact CZ-CG2 3.47Å; F180-I208 VanDerWaalsContact CZ-CG2 3.47Å; F180-W212 HydrophobicContact CE1-CB 4.35Å
181L96.6Very high96.1Very high26 Ų2648.2 Ų48.214%0.13623%0.23CC..Hα-helixtrans-63.5-20.5179.6-59.2176.7000112.9K178 N179 K211 Y215 R220K178-L181 PolarHBondContact O-N 3.4Å; N179-L181 PolarHBondContact O-N 3.16Å; L181-K211 HydrophobicContact CD2-CG 4.16Å; L181-Y215 HydrophobicContact CB-CD1 3.86Å; L181-Y215 HydrophobicContact CB-CD2 4Å; L181-Y215 HydrophobicContact CB-CE1 4.21Å; L181-Y215 HydrophobicContact CB-CE2 4.35Å; L181-Y215 HydrophobicContact CB-CG 3.74Å; L181-Y215 HydrophobicContact CD1-CD2 3.74Å; L181-Y215 HydrophobicContact CD1-CE2 4.27Å; L181-Y215 HydrophobicContact CD1-CG 4.17Å; L181-Y215 HydrophobicContact CG-CD2 4.45Å; L181-Y215 HydrophobicContact CG-CG 4.43Å; L181-Y215 WeakPolarHBondContact O-CD1 3.45Å; L181-R220 PolarHBondContact O-NH1 3.31Å; L181-R220 PolarHBondContact O-NH2 2.96Å
182K95.7Very high96.1Very high113 Ų11348.1 Ų48.149%0.49123%0.229SC..THydrogen-bonded Turntrans-84.7-4177-57.8177.5-176.8170.90113.9N179 F180N179-K182 WeakPolarHBondContact O-CB 3.49Å; N179-K182 PolarHBondContact O-N 3.43Å; F180-K182 PolarHBondContact O-N 2.97Å; F180-K182 VanDerWaalsContact O-N 3.1Å
183L96.5Very high96.3Very high1 Ų151 Ų511%0.00524%0.24CC..  trans-59143172.3-70.2-178.3000110.2L141 W144 F180 E187 L191 W212 R220L141-L183 HydrophobicContact CD2-CD1 4.44Å; L141-L183 HydrophobicContact CD2-CD2 4.11Å; W144-L183 HydrophobicContact CE3-CD2 4.42Å; W144-L183 HydrophobicContact CZ3-CD2 3.97Å; F180-L183 HydrophobicContact CD2-CD1 3.69Å; F180-L183 HydrophobicContact CE2-CD1 3.84Å; F180-L183 WeakPolarHBondContact O-CB 3.14Å; F180-L183 VanDerWaalsContact O-CG 3.3Å; F180-L183 WeakPolarHBondContact O-CG 3.42Å; F180-L183 PolarHBondContact O-N 3.37Å; L183-E187 WeakPolarHBondContact CA-OE2 3.4Å; L183-E187 HydrophobicContact CB-CB 4.29Å; L183-E187 HydrophobicContact CD2-CB 4Å; L183-E187 WeakPolarHBondContact CD2-OE2 3.48Å; L183-L191 HydrophobicContact CD1-CD1 3.81Å; L183-W212 WeakPolarHBondContact O-CZ2 3.31Å; L183-W212 PolarHBondContact O-NE1 3.46Å; L183-R220 PolarHBondContact O-NH2 3.12Å
184N95.8Very high96.3Very high77 Ų7748.4 Ų48.441%0.41223%0.229SC..  trans-82.3170.3169.369.551.9000111.2I186 E187 L188N184-I186 VanDerWaalsContact C-N 3.34Å; N184-I186 PolarHBondContact O-N 3.33Å; N184-I186 WeakPolarHBondContact OD1-CB 3.45Å; N184-I186 PolarHBondContact OD1-N 2.97Å; N184-E187 PolarHBondContact N-OE2 2.94Å; N184-E187 VanDerWaalsContact ND2-CD 3.26Å; N184-E187 PolarHBondContact ND2-OE2 3.26Å; N184-E187 PolarHBondContact O-N 3.02Å; N184-E187 WeakPolarHBondContact OD1-CG 3.42Å; N184-E187 PolarHBondContact OD1-N 3.29Å; N184-L188 PolarHBondContact O-N 2.92Å
185L97.1Very high96.2Very high32 Ų3250 Ų5017%0.16824%0.238CC..Hα-helixtrans-56.4-46-177.5179.165.2000112.5E187 L188 K189 W212 Y223 L227L185-E187 VanDerWaalsContact C-N 3.35Å; L185-E187 PolarHBondContact O-N 3.03Å; L185-L188 PolarHBondContact O-N 3.01Å; L185-K189 HydrophobicContact CD1-CD 4Å; L185-K189 HydrophobicContact CD1-CG 4.1Å; L185-K189 HydrophobicContact CD2-CD 4.49Å; L185-K189 HydrophobicContact CG-CD 3.92Å; L185-K189 HydrophobicContact CG-CG 4.33Å; L185-K189 WeakPolarHBondContact O-CB 3.49Å; L185-K189 VanDerWaalsContact O-CG 3.3Å; L185-K189 WeakPolarHBondContact O-CG 3.44Å; L185-K189 PolarHBondContact O-N 3.06Å; L185-W212 HydrophobicContact CB-CH2 4.46Å; L185-Y223 HydrophobicContact CD1-CD1 4.47Å; L185-Y223 HydrophobicContact CD1-CD2 4.2Å; L185-Y223 HydrophobicContact CD1-CG 3.94Å; L185-Y223 HydrophobicContact CD2-CD1 3.49Å; L185-Y223 VanDerWaalsContact CD2-CD1 3.49Å; L185-Y223 HydrophobicContact CD2-CD2 4.18Å; L185-Y223 HydrophobicContact CD2-CE1 3.67Å; L185-Y223 HydrophobicContact CD2-CE2 4.34Å; L185-Y223 HydrophobicContact CD2-CG 3.77Å; L185-Y223 HydrophobicContact CG-CG 4.4Å; L185-L227 HydrophobicContact CD1-CD1 4.46Å; L185-L227 HydrophobicContact CD1-CD2 3.86Å; L185-L227 HydrophobicContact CD1-CG 4.09Å
186I96Very high96.2Very high121 Ų12151.8 Ų51.862%0.62125%0.247SC*.Hα-helixtrans-62.9-44.8-177.1-61.4171000110.1N184 K189 I190N184-I186 VanDerWaalsContact C-N 3.34Å; N184-I186 PolarHBondContact O-N 3.33Å; N184-I186 WeakPolarHBondContact OD1-CB 3.45Å; N184-I186 PolarHBondContact OD1-N 2.97Å; I186-K189 PolarHBondContact O-N 3.31Å; I186-I190 HydrophobicContact CG2-CD1 3.98Å; I186-I190 VanDerWaalsContact O-CG1 3.27Å; I186-I190 WeakPolarHBondContact O-CG1 3.25Å; I186-I190 PolarHBondContact O-N 3.45Å
187E95.6Very high96.3Very high17 Ų1745 Ų458%0.07922%0.218CC..Hα-helixtrans-60.4-46.9176.8-69.5172.7150.200111.9W144 K148 L183 N184 L185 I190 L191W144-E187 HydrophobicContact CH2-CB 3.91Å; W144-E187 HydrophobicContact CH2-CG 4.32Å; W144-E187 WeakPolarHBondContact CH2-O 3.43Å; W144-E187 HydrophobicContact CZ3-CB 3.94Å; W144-E187 HydrophobicContact CZ3-CG 4.3Å; K148-E187 VanDerWaalsContact NZ-CD 3.33Å; K148-E187 VanDerWaalsContact NZ-CG 3.25Å; K148-E187 IonicContact NZ-OE1 3.63Å; K148-E187 PolarHBondContact NZ-OE1 3.2Å; L183-E187 WeakPolarHBondContact CA-OE2 3.4Å; L183-E187 HydrophobicContact CB-CB 4.29Å; L183-E187 HydrophobicContact CD2-CB 4Å; L183-E187 WeakPolarHBondContact CD2-OE2 3.48Å; N184-E187 PolarHBondContact N-OE2 2.94Å; N184-E187 VanDerWaalsContact ND2-CD 3.26Å; N184-E187 PolarHBondContact ND2-OE2 3.26Å; N184-E187 PolarHBondContact O-N 3.02Å; N184-E187 WeakPolarHBondContact OD1-CG 3.42Å; N184-E187 PolarHBondContact OD1-N 3.29Å; L185-E187 VanDerWaalsContact C-N 3.35Å; L185-E187 PolarHBondContact O-N 3.03Å; E187-I190 PolarHBondContact O-N 2.99Å; E187-L191 PolarHBondContact O-N 3.48Å
188L97.6Very high96.2Very high0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-64.5-43.8179.3-177.859000111.4F180 N184 L185 I190 L191 L192 W212 L227F180-L188 HydrophobicContact CE2-CD1 3.97Å; F180-L188 HydrophobicContact CZ-CD1 3.66Å; N184-L188 PolarHBondContact O-N 2.92Å; L185-L188 PolarHBondContact O-N 3.01Å; L188-I190 VanDerWaalsContact C-N 3.32Å; L188-I190 PolarHBondContact O-N 3.09Å; L188-L191 PolarHBondContact O-N 3.31Å; L188-L192 HydrophobicContact CD1-CD1 3.93Å; L188-L192 HydrophobicContact CD1-CD2 4.49Å; L188-L192 HydrophobicContact CD1-CG 3.95Å; L188-L192 HydrophobicContact CD2-CD1 4.29Å; L188-L192 HydrophobicContact CG-CD1 3.69Å; L188-L192 HydrophobicContact CG-CG 4.18Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 WeakPolarHBondContact O-CG 3.37Å; L188-L192 PolarHBondContact O-N 3.42Å; L188-W212 HydrophobicContact CD2-CB 4.22Å; L188-W212 HydrophobicContact CD2-CD2 3.47Å; L188-W212 VanDerWaalsContact CD2-CD2 3.47Å; L188-W212 HydrophobicContact CD2-CE3 3.79Å; L188-W212 HydrophobicContact CD2-CG 3.66Å; L188-W212 HydrophobicContact CD2-CZ2 4.34Å; L188-W212 HydrophobicContact CD2-CZ3 4.35Å; L188-L227 HydrophobicContact CD2-CD2 3.82Å; L188-L227 HydrophobicContact CG-CD2 4.13Å
189K98.1Very high96.1Very high44 Ų4437.8 Ų37.819%0.19119%0.187CC..Hα-helixtrans-58.9-41.9175.9-71.1-178.976.3168.10111.5L185 I186 L191 L192 K193 D226 L227L185-K189 HydrophobicContact CD1-CD 4Å; L185-K189 HydrophobicContact CD1-CG 4.1Å; L185-K189 HydrophobicContact CD2-CD 4.49Å; L185-K189 HydrophobicContact CG-CD 3.92Å; L185-K189 HydrophobicContact CG-CG 4.33Å; L185-K189 WeakPolarHBondContact O-CB 3.49Å; L185-K189 VanDerWaalsContact O-CG 3.3Å; L185-K189 WeakPolarHBondContact O-CG 3.44Å; L185-K189 PolarHBondContact O-N 3.06Å; I186-K189 PolarHBondContact O-N 3.31Å; K189-L191 VanDerWaalsContact C-N 3.31Å; K189-L191 PolarHBondContact O-N 3.02Å; K189-L192 PolarHBondContact O-N 3.21Å; K189-K193 VanDerWaalsContact O-CB 3.3Å; K189-K193 WeakPolarHBondContact O-CB 3.32Å; K189-K193 VanDerWaalsContact O-CG 3.28Å; K189-K193 WeakPolarHBondContact O-CG 3.42Å; K189-K193 PolarHBondContact O-N 2.72Å; K189-D226 HydrophobicContact CD-CB 4.47Å; K189-D226 IonicContact NZ-OD1 2.87Å; K189-D226 PolarHBondContact NZ-OD1 3.33Å; K189-L227 HydrophobicContact CG-CD2 4.25Å
190I96.1Very high95.8Very high65 Ų6540.6 Ų40.633%0.33320%0.202SC..Hα-helixtrans-59.3-41.8178-72.3165.2000111.6W144 F164 I186 E187 L188W144-I190 HydrophobicContact CZ2-CG2 4.14Å; F164-I190 HydrophobicContact CE2-CG2 3.64Å; F164-I190 HydrophobicContact CZ-CG2 3.58Å; I186-I190 HydrophobicContact CG2-CD1 3.98Å; I186-I190 VanDerWaalsContact O-CG1 3.27Å; I186-I190 WeakPolarHBondContact O-CG1 3.25Å; I186-I190 PolarHBondContact O-N 3.45Å; E187-I190 PolarHBondContact O-N 2.99Å; L188-I190 VanDerWaalsContact C-N 3.32Å; L188-I190 PolarHBondContact O-N 3.09Å
191L97.5Very high95.5Very high2 Ų244.4 Ų44.41%0.0122%0.222CC..Hα-helixtrans-69.3-52.5177.1-67.5171.5000111.1W144 F164 L167 L168 F171 L183 E187 L188 K189 K193 N194 L197W144-L191 HydrophobicContact CH2-CD1 4.08Å; W144-L191 HydrophobicContact CH2-CD2 4.17Å; W144-L191 HydrophobicContact CH2-CG 3.83Å; W144-L191 HydrophobicContact CZ3-CD1 3.94Å; W144-L191 HydrophobicContact CZ3-CG 4.2Å; F164-L191 HydrophobicContact CD2-CD2 4.3Å; F164-L191 HydrophobicContact CE2-CD2 3.62Å; F164-L191 HydrophobicContact CZ-CD2 4.28Å; L167-L191 HydrophobicContact CB-CD2 4.08Å; L167-L191 HydrophobicContact CD1-CD2 4.3Å; L168-L191 HydrophobicContact CD2-CD2 4.09Å; F171-L191 HydrophobicContact CE2-CB 4.44Å; F171-L191 HydrophobicContact CE2-CD1 4.37Å; L183-L191 HydrophobicContact CD1-CD1 3.81Å; E187-L191 PolarHBondContact O-N 3.48Å; L188-L191 PolarHBondContact O-N 3.31Å; K189-L191 VanDerWaalsContact C-N 3.31Å; K189-L191 PolarHBondContact O-N 3.02Å; L191-K193 VanDerWaalsContact C-N 3.29Å; L191-K193 PolarHBondContact O-N 3.1Å; L191-N194 WeakPolarHBondContact O-CB 3.44Å; L191-N194 PolarHBondContact O-N 3.01Å; L191-N194 VanDerWaalsContact O-N 3.14Å; L191-L197 HydrophobicContact CB-CD1 4.5Å
192L98Very high95.4Very high0 Ų043.8 Ų43.80%022%0.218CC..Hα-helixtrans-61.4-35.9-176.3-68.5174.6000112.8F171 L188 K189 N194 L197 L205 I209 L227 C230 L231 R297F171-L192 HydrophobicContact CZ-CD2 4.41Å; L188-L192 HydrophobicContact CD1-CD1 3.93Å; L188-L192 HydrophobicContact CD1-CD2 4.49Å; L188-L192 HydrophobicContact CD1-CG 3.95Å; L188-L192 HydrophobicContact CD2-CD1 4.29Å; L188-L192 HydrophobicContact CG-CD1 3.69Å; L188-L192 HydrophobicContact CG-CG 4.18Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 WeakPolarHBondContact O-CG 3.37Å; L188-L192 PolarHBondContact O-N 3.42Å; K189-L192 PolarHBondContact O-N 3.21Å; L192-N194 VanDerWaalsContact C-N 3.27Å; L192-N194 PolarHBondContact O-N 2.9Å; L192-L197 HydrophobicContact CD2-CD2 4.33Å; L192-L205 HydrophobicContact CD2-CD1 4.49Å; L192-L205 HydrophobicContact CD2-CD2 4.15Å; L192-I209 HydrophobicContact CD1-CD1 3.81Å; L192-I209 HydrophobicContact CD1-CG1 3.74Å; L192-L227 HydrophobicContact CD1-CD2 3.89Å; L192-C230 HydrophobicContact CB-CB 3.63Å; L192-C230 HydrophobicContact CD1-CB 4.33Å; L192-L231 HydrophobicContact CD2-CD2 4.48Å; L192-R297 VanDerWaalsContact O-CZ 3.3Å; L192-R297 PolarHBondContact O-NH1 2.69Å; L192-R297 PolarHBondContact O-NH2 3.2Å
193K96.8Very high95.4Very high95 Ų9539.9 Ų39.941%0.41320%0.201SC..Hα-helixtrans-71.3-21.9179.7-72-165.4169.2-163.80114K189 L191 D195 C230 R232 Y292K189-K193 VanDerWaalsContact O-CB 3.3Å; K189-K193 WeakPolarHBondContact O-CB 3.32Å; K189-K193 VanDerWaalsContact O-CG 3.28Å; K189-K193 WeakPolarHBondContact O-CG 3.42Å; K189-K193 PolarHBondContact O-N 2.72Å; L191-K193 VanDerWaalsContact C-N 3.29Å; L191-K193 PolarHBondContact O-N 3.1Å; K193-D195 PolarHBondContact O-N 2.86Å; K193-C230 VanDerWaalsContact CE-SG 3.5Å; K193-C230 HydrophobicContact CG-CB 3.83Å; K193-C230 VanDerWaalsContact CG-SG 3.6Å; K193-R232 PolarHBondContact O-NH2 2.98Å; K193-Y292 VanDerWaalsContact CA-OH 3.26Å; K193-Y292 WeakPolarHBondContact CA-OH 3.49Å; K193-Y292 WeakPolarHBondContact CG-OH 3.3Å
194N96.7Very high95.4Very high44 Ų4442.3 Ų42.324%0.23521%0.211CC..  trans-71.9128.3-169.2-162.4-74.5000112.8F164 L168 L191 L192 L196 L197 R297F164-N194 WeakPolarHBondContact CE1-ND2 3.45Å; L168-N194 HydrophobicContact CD1-CB 4.36Å; L168-N194 WeakPolarHBondContact CD1-OD1 3.32Å; L168-N194 HydrophobicContact CD2-CB 3.77Å; L191-N194 WeakPolarHBondContact O-CB 3.44Å; L191-N194 PolarHBondContact O-N 3.01Å; L191-N194 VanDerWaalsContact O-N 3.14Å; L192-N194 VanDerWaalsContact C-N 3.27Å; L192-N194 PolarHBondContact O-N 2.9Å; N194-L196 PolarHBondContact O-N 2.87Å; N194-L196 WeakPolarHBondContact OD1-CA 3.46Å; N194-L196 VanDerWaalsContact OD1-CB 3.32Å; N194-L196 WeakPolarHBondContact OD1-CB 3.19Å; N194-L196 PolarHBondContact OD1-N 2.87Å; N194-L197 VanDerWaalsContact O-CB 3.3Å; N194-L197 WeakPolarHBondContact O-CB 3.34Å; N194-L197 PolarHBondContact O-N 3.22Å; N194-L197 VanDerWaalsContact O-N 3.11Å; N194-R297 PolarHBondContact O-NH1 2.75Å
195D94.9Very high95.5Very high36 Ų3638.7 Ų38.719%0.19319%0.191CC..THydrogen-bonded Turntrans-63.3-23.7179.8-65.9-27.8000113.3K193 R232 K295 R297 F298K193-D195 PolarHBondContact O-N 2.86Å; D195-R232 IonicContact OD1-CZ 3.19Å; D195-R232 IonicContact OD1-NE 3.07Å; D195-R232 IonicContact OD1-NH2 2.82Å; D195-R232 PolarHBondContact OD1-NH2 2.89Å; D195-K295 IonicContact OD1-NZ 2.94Å; D195-K295 WeakPolarHBondContact OD2-CE 3.37Å; D195-K295 IonicContact OD2-NZ 3.53Å; D195-K295 PolarHBondContact OD2-NZ 2.9Å; D195-R297 WeakPolarHBondContact O-CB 3.39Å; D195-F298 HydrophobicContact CB-CD2 3.63Å; D195-F298 HydrophobicContact CB-CE2 3.79Å; D195-F298 PolarHBondContact O-N 3.37Å
196L95.6Very high95.5Very high41 Ų4137.4 Ų37.422%0.21518%0.184CC..THydrogen-bonded Turntrans-91.57.7178.8-54.3168.5000112.7L168 N194 N198 F298 Y300 I594 L598L168-L196 HydrophobicContact CD1-CB 4.07Å; N194-L196 PolarHBondContact O-N 2.87Å; N194-L196 WeakPolarHBondContact OD1-CA 3.46Å; N194-L196 VanDerWaalsContact OD1-CB 3.32Å; N194-L196 WeakPolarHBondContact OD1-CB 3.19Å; N194-L196 PolarHBondContact OD1-N 2.87Å; L196-N198 PolarHBondContact O-N 2.97Å; L196-F298 HydrophobicContact CD2-CB 3.89Å; L196-F298 HydrophobicContact CD2-CD2 3.47Å; L196-F298 VanDerWaalsContact CD2-CD2 3.47Å; L196-F298 HydrophobicContact CD2-CE2 4.19Å; L196-F298 HydrophobicContact CD2-CG 3.78Å; L196-F298 HydrophobicContact CG-CD2 4.21Å; L196-Y300 WeakPolarHBondContact O-CE2 3.46Å; L196-Y300 PolarHBondContact O-OH 3.18Å; L196-I594 HydrophobicContact CD2-CD1 3.88Å; L196-I594 HydrophobicContact CD2-CG1 3.71Å; L196-L598 HydrophobicContact CD2-CD2 3.94Å
197L96.7Very high95.6Very high2 Ų235.6 Ų35.61%0.0118%0.176CC..  trans-63.5117.7175.7-174.171.5000110.3L168 F171 L191 L192 N194 C199 L205L168-L197 HydrophobicContact CD2-CB 4.22Å; L168-L197 HydrophobicContact CD2-CD1 3.73Å; F171-L197 HydrophobicContact CB-CD1 3.78Å; F171-L197 HydrophobicContact CD1-CD1 3.98Å; F171-L197 HydrophobicContact CD1-CD2 4.42Å; F171-L197 HydrophobicContact CD1-CG 4.26Å; F171-L197 HydrophobicContact CD2-CD1 3.54Å; F171-L197 HydrophobicContact CE1-CD1 4.46Å; F171-L197 HydrophobicContact CE1-CD2 4.32Å; F171-L197 HydrophobicContact CE2-CD1 4.04Å; F171-L197 HydrophobicContact CG-CD1 3.48Å; F171-L197 VanDerWaalsContact CG-CD1 3.48Å; F171-L197 HydrophobicContact CG-CG 4.24Å; F171-L197 HydrophobicContact CZ-CD1 4.48Å; F171-L197 HydrophobicContact CZ-CD2 4.46Å; L191-L197 HydrophobicContact CB-CD1 4.5Å; L192-L197 HydrophobicContact CD2-CD2 4.33Å; N194-L197 VanDerWaalsContact O-CB 3.3Å; N194-L197 WeakPolarHBondContact O-CB 3.34Å; N194-L197 PolarHBondContact O-N 3.22Å; N194-L197 VanDerWaalsContact O-N 3.11Å; L197-C199 PolarHBondContact O-N 3.46Å; L197-L205 HydrophobicContact CD2-CD1 3.93Å; L197-L205 HydrophobicContact CD2-CD2 3.89Å
198N94.1Very high95.7Very high36 Ų3635 Ų3519%0.19317%0.174CC..  trans-79.7104.7176.9-167.914.2000110.2L168 I169 N172 L196 Y300L168-N198 WeakPolarHBondContact O-CB 3.46Å; L168-N198 PolarHBondContact O-N 2.69Å; I169-N198 WeakPolarHBondContact O-CB 3.36Å; I169-N198 PolarHBondContact O-ND2 3.47Å; N172-N198 PolarHBondContact OD1-O 2.89Å; L196-N198 PolarHBondContact O-N 2.97Å; N198-Y300 HydrophobicContact CB-CD2 3.62Å; N198-Y300 HydrophobicContact CB-CE1 4.48Å; N198-Y300 HydrophobicContact CB-CE2 3.46Å; N198-Y300 VanDerWaalsContact CB-CE2 3.46Å; N198-Y300 HydrophobicContact CB-CG 4.17Å
199C91.8Very high95.7Very high1 Ų135 Ų351%0.00717%0.174CC..  trans-136.4156.9177.963.90000110.5L197 L205 R330L197-C199 PolarHBondContact O-N 3.46Å; C199-L205 HydrophobicContact CB-CD1 4.14Å; C199-L205 HydrophobicContact CB-CD2 3.6Å; C199-L205 HydrophobicContact CB-CG 3.82Å; C199-R330 PolarHBondContact O-NH1 3.34Å; C199-R330 PolarHBondContact O-NH2 3.43Å
200L86.8Confident95.7Very high100 Ų10033.6 Ų33.652%0.52417%0.168SC..SBendtrans-63.6-56.6176.4-68.1172.6000111.6Y204 R330L200-Y204 HydrophobicContact CB-CD1 4.31Å; L200-Y204 HydrophobicContact CB-CG 4.32Å; L200-Y204 HydrophobicContact CD1-CD2 4.4Å; L200-Y204 HydrophobicContact CD1-CG 4.44Å; L200-R330 PolarHBondContact O-NH1 3.26Å; L200-R330 PolarHBondContact O-NH2 2.89Å
201N91.2Very high95.8Very high80 Ų8034.7 Ų34.743%0.42817%0.17SC..  trans-158.9175.7175.556.738.5000110.1K203 Y204 L205N201-K203 VanDerWaalsContact C-N 3.29Å; N201-K203 PolarHBondContact O-N 3.25Å; N201-K203 WeakPolarHBondContact OD1-CB 3.43Å; N201-K203 PolarHBondContact OD1-N 2.88Å; N201-Y204 WeakPolarHBondContact O-CB 3.38Å; N201-Y204 PolarHBondContact O-N 3.03Å; N201-Y204 VanDerWaalsContact OD1-CB 3.28Å; N201-Y204 WeakPolarHBondContact OD1-CB 3.43Å; N201-Y204 PolarHBondContact OD1-N 3.05Å; N201-L205 PolarHBondContact O-N 3.12Å
202E95.6Very high95.8Very high12 Ų1234.7 Ų34.76%0.05617%0.17CC..Hα-helixtrans-69.7-26.9-178.7-62.6-65143.800112.8Y204 L205 F206 L231 R232 R235 L236 R297E202-Y204 VanDerWaalsContact C-N 3.34Å; E202-L205 WeakPolarHBondContact O-CB 3.48Å; E202-L205 PolarHBondContact O-N 2.75Å; E202-F206 PolarHBondContact O-N 2.91Å; E202-L231 VanDerWaalsContact OE2-CA 3.28Å; E202-L231 WeakPolarHBondContact OE2-CA 3.27Å; E202-L231 WeakPolarHBondContact OE2-CB 3.33Å; E202-R232 VanDerWaalsContact CD-N 3.26Å; E202-R232 HydrophobicContact CG-CB 3.77Å; E202-R232 WeakPolarHBondContact CG-O 3.36Å; E202-R232 WeakPolarHBondContact OE1-CG 3.4Å; E202-R232 PolarHBondContact OE2-N 3.3Å; E202-R235 HydrophobicContact CG-CB 4.4Å; E202-L236 HydrophobicContact CB-CD2 3.79Å; E202-L236 HydrophobicContact CB-CG 4.12Å; E202-R297 IonicContact OE1-CZ 2.75Å; E202-R297 IonicContact OE1-NE 2.72Å; E202-R297 PolarHBondContact OE1-NE 2.67Å; E202-R297 IonicContact OE1-NH2 3.18Å; E202-R297 PolarHBondContact OE1-NH2 3.41Å; E202-R297 IonicContact OE2-NH2 3.7Å; E202-R297 PolarHBondContact OE2-NH2 3.24Å
203K95.8Very high95.8Very high31 Ų3134.7 Ų34.714%0.13517%0.17CC..Hα-helixtrans-65.5-41.4175.5177.968.6164.9-142.80110.5N201 L205 F206 N207 L236 D240 D243 L244N201-K203 VanDerWaalsContact C-N 3.29Å; N201-K203 PolarHBondContact O-N 3.25Å; N201-K203 WeakPolarHBondContact OD1-CB 3.43Å; N201-K203 PolarHBondContact OD1-N 2.88Å; K203-L205 VanDerWaalsContact C-N 3.34Å; K203-F206 WeakPolarHBondContact O-CB 3.48Å; K203-F206 PolarHBondContact O-N 3.11Å; K203-N207 PolarHBondContact O-N 2.88Å; K203-L236 HydrophobicContact CB-CD2 3.78Å; K203-D240 HydrophobicContact CD-CB 4.4Å; K203-D240 WeakPolarHBondContact CD-OD1 3.34Å; K203-D240 WeakPolarHBondContact CE-OD1 3.32Å; K203-D240 WeakPolarHBondContact CG-OD1 3.4Å; K203-D240 IonicContact NZ-OD1 2.77Å; K203-D240 PolarHBondContact NZ-OD1 2.99Å; K203-D243 IonicContact NZ-OD2 3.25Å; K203-D243 PolarHBondContact NZ-OD2 3.01Å; K203-L244 HydrophobicContact CD-CD1 3.54Å
204Y95.5Very high95.9Very high53 Ų5334.2 Ų34.221%0.20817%0.172CC..Hα-helixtrans-62.2-41.3173.5179.5-107.6000111.6N172 N175 L200 N201 E202 N207 I208N172-Y204 VanDerWaalsContact OD1-CE1 3.31Å; N172-Y204 WeakPolarHBondContact OD1-CE1 3.17Å; N175-Y204 PolarHBondContact ND2-OH 3.39Å; L200-Y204 HydrophobicContact CB-CD1 4.31Å; L200-Y204 HydrophobicContact CB-CG 4.32Å; L200-Y204 HydrophobicContact CD1-CD2 4.4Å; L200-Y204 HydrophobicContact CD1-CG 4.44Å; N201-Y204 WeakPolarHBondContact O-CB 3.38Å; N201-Y204 PolarHBondContact O-N 3.03Å; N201-Y204 VanDerWaalsContact OD1-CB 3.28Å; N201-Y204 WeakPolarHBondContact OD1-CB 3.43Å; N201-Y204 PolarHBondContact OD1-N 3.05Å; E202-Y204 VanDerWaalsContact C-N 3.34Å; Y204-N207 PolarHBondContact O-N 2.76Å; Y204-I208 HydrophobicContact CD1-CD1 3.78Å; Y204-I208 HydrophobicContact CE1-CD1 3.33Å; Y204-I208 HydrophobicContact CE1-CG1 4.32Å; Y204-I208 HydrophobicContact CE2-CD1 4.47Å; Y204-I208 WeakPolarHBondContact O-CG1 3.33Å; Y204-I208 PolarHBondContact O-N 2.64Å
205L97.7Very high95.9Very high0 Ų037.7 Ų37.70%018%0.183CC..Hα-helixtrans-64.2-40173.9-68.1-177000112.6F171 L192 L197 C199 N201 E202 K203 N207 I208 I209 L231 R297F171-L205 HydrophobicContact CD1-CD2 4.24Å; F171-L205 HydrophobicContact CE1-CD2 3.46Å; F171-L205 VanDerWaalsContact CE1-CD2 3.46Å; F171-L205 HydrophobicContact CZ-CD2 4.16Å; L192-L205 HydrophobicContact CD2-CD1 4.49Å; L192-L205 HydrophobicContact CD2-CD2 4.15Å; L197-L205 HydrophobicContact CD2-CD1 3.93Å; L197-L205 HydrophobicContact CD2-CD2 3.89Å; C199-L205 HydrophobicContact CB-CD1 4.14Å; C199-L205 HydrophobicContact CB-CD2 3.6Å; C199-L205 HydrophobicContact CB-CG 3.82Å; N201-L205 PolarHBondContact O-N 3.12Å; E202-L205 WeakPolarHBondContact O-CB 3.48Å; E202-L205 PolarHBondContact O-N 2.75Å; K203-L205 VanDerWaalsContact C-N 3.34Å; L205-N207 VanDerWaalsContact C-N 3.32Å; L205-N207 PolarHBondContact O-N 2.89Å; L205-I208 HydrophobicContact CD2-CD1 4.35Å; L205-I208 WeakPolarHBondContact O-CB 3.32Å; L205-I208 PolarHBondContact O-N 3.05Å; L205-I209 WeakPolarHBondContact O-CG1 3.45Å; L205-I209 PolarHBondContact O-N 3.18Å; L205-L231 HydrophobicContact CB-CD2 3.59Å; L205-L231 HydrophobicContact CD1-CD2 3.96Å; L205-L231 HydrophobicContact CG-CD2 4.45Å; L205-R297 VanDerWaalsContact CD1-NH2 3.28Å
206F98Very high96Very high5 Ų540 Ų402%0.02219%0.191CC..Hα-helixtrans-57-46.4172.3173.8-100.8000111.2E202 K203 I208 I209 I210 I224 L228 L231 L244 H247 I250E202-F206 PolarHBondContact O-N 2.91Å; K203-F206 WeakPolarHBondContact O-CB 3.48Å; K203-F206 PolarHBondContact O-N 3.11Å; F206-I208 VanDerWaalsContact C-N 3.3Å; F206-I208 PolarHBondContact O-N 3.36Å; F206-I209 WeakPolarHBondContact O-CA 3.26Å; F206-I209 WeakPolarHBondContact O-CB 3.37Å; F206-I209 PolarHBondContact O-N 2.97Å; F206-I209 VanDerWaalsContact O-N 3.07Å; F206-I210 HydrophobicContact CD1-CG1 4.23Å; F206-I210 HydrophobicContact CD2-CG1 4.45Å; F206-I210 HydrophobicContact CE1-CD1 4.34Å; F206-I210 HydrophobicContact CE1-CG1 3.76Å; F206-I210 HydrophobicContact CE2-CD1 3.82Å; F206-I210 HydrophobicContact CE2-CG1 3.99Å; F206-I210 HydrophobicContact CZ-CD1 3.69Å; F206-I210 HydrophobicContact CZ-CG1 3.63Å; F206-I210 WeakPolarHBondContact O-CG1 3.39Å; F206-I210 PolarHBondContact O-N 2.79Å; F206-I224 HydrophobicContact CE2-CD1 4.33Å; F206-L228 HydrophobicContact CD2-CD2 3.94Å; F206-L228 HydrophobicContact CE2-CD2 4.18Å; F206-L231 HydrophobicContact CB-CD1 3.98Å; F206-L244 HydrophobicContact CB-CD1 4.5Å; F206-L244 HydrophobicContact CB-CD2 4.47Å; F206-L244 HydrophobicContact CD1-CD1 3.64Å; F206-L244 HydrophobicContact CD1-CG 3.91Å; F206-L244 HydrophobicContact CD2-CD2 4.04Å; F206-L244 HydrophobicContact CD2-CG 4.01Å; F206-L244 HydrophobicContact CE1-CD1 3.93Å; F206-L244 HydrophobicContact CE1-CG 3.94Å; F206-L244 HydrophobicContact CE2-CD2 4.44Å; F206-L244 HydrophobicContact CE2-CG 4.06Å; F206-L244 HydrophobicContact CG-CD1 3.97Å; F206-L244 HydrophobicContact CG-CD2 4.09Å; F206-L244 HydrophobicContact CG-CG 3.93Å; F206-L244 HydrophobicContact CZ-CG 4.01Å; F206-H247 HydrophobicContact CE1-CB 4.49Å; F206-H247 HydrophobicContact CZ-CB 3.99Å; F206-H247 AromaticContact CZ-CG 3.82Å; F206-I250 HydrophobicContact CE2-CD1 3.58Å; F206-I250 HydrophobicContact CE2-CG1 4.43Å; F206-I250 HydrophobicContact CZ-CD1 3.8Å
207N97.5Very high96Very high84 Ų8443.2 Ų43.245%0.44920%0.203SC..Hα-helixtrans-61.5-37.7177.1-66.7-21000112.4K203 Y204 L205 I210 K211K203-N207 PolarHBondContact O-N 2.88Å; Y204-N207 PolarHBondContact O-N 2.76Å; L205-N207 VanDerWaalsContact C-N 3.32Å; L205-N207 PolarHBondContact O-N 2.89Å; N207-I210 PolarHBondContact O-N 2.98Å; N207-K211 WeakPolarHBondContact O-CB 3.3Å; N207-K211 PolarHBondContact O-N 3.29Å
208I97.7Very high95.9Very high5 Ų550.4 Ų50.43%0.02624%0.24CC..Hα-helixtrans-64.6-41.2173.4-69.6169.6000111.4F171 N175 F180 Y204 L205 F206 K211 W212F171-I208 HydrophobicContact CE1-CD1 3.68Å; F171-I208 HydrophobicContact CZ-CD1 4.34Å; F171-I208 HydrophobicContact CZ-CG2 4.3Å; N175-I208 HydrophobicContact CB-CD1 3.9Å; N175-I208 HydrophobicContact CB-CG1 4.31Å; N175-I208 HydrophobicContact CB-CG2 4.08Å; N175-I208 VanDerWaalsContact CG-CD1 3.42Å; F180-I208 HydrophobicContact CE1-CG2 3.51Å; F180-I208 HydrophobicContact CZ-CG2 3.47Å; F180-I208 VanDerWaalsContact CZ-CG2 3.47Å; Y204-I208 HydrophobicContact CD1-CD1 3.78Å; Y204-I208 HydrophobicContact CE1-CD1 3.33Å; Y204-I208 HydrophobicContact CE1-CG1 4.32Å; Y204-I208 HydrophobicContact CE2-CD1 4.47Å; Y204-I208 WeakPolarHBondContact O-CG1 3.33Å; Y204-I208 PolarHBondContact O-N 2.64Å; L205-I208 HydrophobicContact CD2-CD1 4.35Å; L205-I208 WeakPolarHBondContact O-CB 3.32Å; L205-I208 PolarHBondContact O-N 3.05Å; F206-I208 VanDerWaalsContact C-N 3.3Å; F206-I208 PolarHBondContact O-N 3.36Å; I208-K211 WeakPolarHBondContact O-CB 3.34Å; I208-K211 PolarHBondContact O-N 2.86Å; I208-W212 WeakPolarHBondContact O-CB 3.4Å; I208-W212 PolarHBondContact O-N 3.2Å
209I98.2Very high96Very high0 Ų053.9 Ų53.90%026%0.255CS..Hα-helixtrans-59.4-49.6174.5-76.2159000110.1L192 L205 F206 K211 W212 I213 I224 L227 L231L192-I209 HydrophobicContact CD1-CD1 3.81Å; L192-I209 HydrophobicContact CD1-CG1 3.74Å; L205-I209 WeakPolarHBondContact O-CG1 3.45Å; L205-I209 PolarHBondContact O-N 3.18Å; F206-I209 WeakPolarHBondContact O-CA 3.26Å; F206-I209 WeakPolarHBondContact O-CB 3.37Å; F206-I209 PolarHBondContact O-N 2.97Å; F206-I209 VanDerWaalsContact O-N 3.07Å; I209-K211 VanDerWaalsContact C-N 3.3Å; I209-K211 PolarHBondContact O-N 3.04Å; I209-W212 PolarHBondContact O-N 2.87Å; I209-W212 VanDerWaalsContact O-N 3.07Å; I209-I213 HydrophobicContact CG2-CD1 3.82Å; I209-I213 HydrophobicContact CG2-CG1 4.31Å; I209-I213 WeakPolarHBondContact O-CG1 3.28Å; I209-I213 PolarHBondContact O-N 2.92Å; I209-I224 HydrophobicContact CG2-CD1 4.1Å; I209-L227 HydrophobicContact CD1-CB 4.09Å; I209-L227 HydrophobicContact CG1-CB 4.29Å; I209-L227 HydrophobicContact CG2-CB 3.9Å; I209-L227 HydrophobicContact CG2-CD1 3.75Å; I209-L227 HydrophobicContact CG2-CG 4.4Å; I209-L231 HydrophobicContact CD1-CD1 3.84Å; I209-L231 HydrophobicContact CD1-CD2 3.72Å; I209-L231 HydrophobicContact CD1-CG 3.9Å
210I97.9Very high96.2Very high14 Ų1454.7 Ų54.77%0.07226%0.258CS..Hα-helixtrans-59.5-42.9178.3-62.7-51.5000110.9F206 N207 W212 I213 N214 I224 I249F206-I210 HydrophobicContact CD1-CG1 4.23Å; F206-I210 HydrophobicContact CD2-CG1 4.45Å; F206-I210 HydrophobicContact CE1-CD1 4.34Å; F206-I210 HydrophobicContact CE1-CG1 3.76Å; F206-I210 HydrophobicContact CE2-CD1 3.82Å; F206-I210 HydrophobicContact CE2-CG1 3.99Å; F206-I210 HydrophobicContact CZ-CD1 3.69Å; F206-I210 HydrophobicContact CZ-CG1 3.63Å; F206-I210 WeakPolarHBondContact O-CG1 3.39Å; F206-I210 PolarHBondContact O-N 2.79Å; N207-I210 PolarHBondContact O-N 2.98Å; I210-W212 VanDerWaalsContact C-N 3.34Å; I210-W212 PolarHBondContact O-N 3.49Å; I210-I213 PolarHBondContact O-N 3.03Å; I210-N214 WeakPolarHBondContact O-CB 3.19Å; I210-N214 VanDerWaalsContact O-CG 3.29Å; I210-N214 PolarHBondContact O-N 3.4Å; I210-N214 PolarHBondContact O-ND2 2.93Å; I210-I224 HydrophobicContact CD1-CD1 4.07Å; I210-I249 HydrophobicContact CD1-CD1 4.24Å
211K97.6Very high96.7Very high87 Ų8752.5 Ų52.538%0.37825%0.245SC..Hα-helixtrans-58.2-43.6173.6-175.7-171.6176.5-170.80112N175 L181 N207 I208 I209 Y215N175-K211 PolarHBondContact O-NZ 3.2Å; L181-K211 HydrophobicContact CD2-CG 4.16Å; N207-K211 WeakPolarHBondContact O-CB 3.3Å; N207-K211 PolarHBondContact O-N 3.29Å; I208-K211 WeakPolarHBondContact O-CB 3.34Å; I208-K211 PolarHBondContact O-N 2.86Å; I209-K211 VanDerWaalsContact C-N 3.3Å; I209-K211 PolarHBondContact O-N 3.04Å; K211-Y215 PolarHBondContact O-N 2.67Å
212W98.3Very high96.8Very high3 Ų353.2 Ų53.21%0.01125%0.248CC..Hα-helixtrans-68.7-39.4178.3-178.996.1000112.5F180 L183 L185 L188 I208 I209 I210 Y215 R220 Y223 L227F180-W212 HydrophobicContact CE1-CB 4.35Å; L183-W212 WeakPolarHBondContact O-CZ2 3.31Å; L183-W212 PolarHBondContact O-NE1 3.46Å; L185-W212 HydrophobicContact CB-CH2 4.46Å; L188-W212 HydrophobicContact CD2-CB 4.22Å; L188-W212 HydrophobicContact CD2-CD2 3.47Å; L188-W212 VanDerWaalsContact CD2-CD2 3.47Å; L188-W212 HydrophobicContact CD2-CE3 3.79Å; L188-W212 HydrophobicContact CD2-CG 3.66Å; L188-W212 HydrophobicContact CD2-CZ2 4.34Å; L188-W212 HydrophobicContact CD2-CZ3 4.35Å; I208-W212 WeakPolarHBondContact O-CB 3.4Å; I208-W212 PolarHBondContact O-N 3.2Å; I209-W212 PolarHBondContact O-N 2.87Å; I209-W212 VanDerWaalsContact O-N 3.07Å; I210-W212 VanDerWaalsContact C-N 3.34Å; I210-W212 PolarHBondContact O-N 3.49Å; W212-Y215 PolarHBondContact O-N 3.31Å; W212-R220 VanDerWaalsContact CE2-NH1 3.27Å; W212-R220 HydrophobicContact CE3-CB 4.44Å; W212-R220 HydrophobicContact CE3-CG 4.35Å; W212-R220 HydrophobicContact CH2-CB 4.47Å; W212-R220 HydrophobicContact CH2-CG 3.79Å; W212-R220 HydrophobicContact CZ3-CB 3.88Å; W212-R220 HydrophobicContact CZ3-CG 3.67Å; W212-R220 WeakPolarHBondContact O-CD 3.45Å; W212-R220 PolarHBondContact O-NH1 2.92Å; W212-Y223 HydrophobicContact CH2-CD2 4.43Å; W212-Y223 HydrophobicContact CZ3-CD2 4.46Å; W212-L227 HydrophobicContact CE3-CD1 4.18Å; W212-L227 HydrophobicContact CZ3-CD1 4.05Å
213I98.1Very high96.9Very high0 Ų056.1 Ų56.10%026%0.259CS..Hα-helixtrans-62.3-49.3174.9-68.5176.1000109.7I209 I210 Y215 K216 K217 R220 E221 I224 L227 I249I209-I213 HydrophobicContact CG2-CD1 3.82Å; I209-I213 HydrophobicContact CG2-CG1 4.31Å; I209-I213 WeakPolarHBondContact O-CG1 3.28Å; I209-I213 PolarHBondContact O-N 2.92Å; I210-I213 PolarHBondContact O-N 3.03Å; I213-Y215 PolarHBondContact O-N 3.38Å; I213-Y215 VanDerWaalsContact O-N 3.1Å; I213-K216 CarbonylContact O-C 3.54Å; I213-K216 PolarHBondContact O-N 3.2Å; I213-K217 VanDerWaalsContact O-CA 3.25Å; I213-K217 WeakPolarHBondContact O-CA 3.32Å; I213-K217 PolarHBondContact O-N 2.94Å; I213-R220 HydrophobicContact CB-CB 4.3Å; I213-R220 HydrophobicContact CG1-CB 4.32Å; I213-R220 HydrophobicContact CG2-CB 4.07Å; I213-E221 HydrophobicContact CG2-CB 4.26Å; I213-I224 HydrophobicContact CD1-CB 4.3Å; I213-I224 HydrophobicContact CD1-CD1 3.8Å; I213-L227 HydrophobicContact CD1-CD1 4.09Å; I213-L227 HydrophobicContact CG1-CD1 4.12Å; I213-I249 HydrophobicContact CG2-CD1 3.92Å
214N97.2Very high96.9Very high84 Ų8454.7 Ų54.745%0.44925%0.253SS..Hα-helixtrans-60.7-24.5-176.7-76.2-23.6000113.9I210 K216I210-N214 WeakPolarHBondContact O-CB 3.19Å; I210-N214 VanDerWaalsContact O-CG 3.29Å; I210-N214 PolarHBondContact O-N 3.4Å; I210-N214 PolarHBondContact O-ND2 2.93Å; N214-K216 PolarHBondContact O-N 3.27Å
215Y97.2Very high96.9Very high117 Ų11755.6 Ų55.646%0.45926%0.257SS..Hα-helixtrans-61-31.5173.8-176-109.6000113.3L181 K211 W212 I213L181-Y215 HydrophobicContact CB-CD1 3.86Å; L181-Y215 HydrophobicContact CB-CD2 4Å; L181-Y215 HydrophobicContact CB-CE1 4.21Å; L181-Y215 HydrophobicContact CB-CE2 4.35Å; L181-Y215 HydrophobicContact CB-CG 3.74Å; L181-Y215 HydrophobicContact CD1-CD2 3.74Å; L181-Y215 HydrophobicContact CD1-CE2 4.27Å; L181-Y215 HydrophobicContact CD1-CG 4.17Å; L181-Y215 HydrophobicContact CG-CD2 4.45Å; L181-Y215 HydrophobicContact CG-CG 4.43Å; L181-Y215 WeakPolarHBondContact O-CD1 3.45Å; K211-Y215 PolarHBondContact O-N 2.67Å; W212-Y215 PolarHBondContact O-N 3.31Å; I213-Y215 PolarHBondContact O-N 3.38Å; I213-Y215 VanDerWaalsContact O-N 3.1Å
216K97Very high96.8Very high84 Ų8458.1 Ų58.137%0.36527%0.27SS..THydrogen-bonded Turntrans-141.563.4172.4-67176.2143.1-121.40109.8I213 N214 I218 E219 R220I213-K216 CarbonylContact O-C 3.54Å; I213-K216 PolarHBondContact O-N 3.2Å; N214-K216 PolarHBondContact O-N 3.27Å; K216-I218 PolarHBondContact O-N 2.88Å; K216-E219 HydrophobicContact CB-CB 4.32Å; K216-E219 WeakPolarHBondContact CD-OE2 3.27Å; K216-E219 IonicContact NZ-OE1 3.43Å; K216-E219 PolarHBondContact NZ-OE1 3.33Å; K216-E219 IonicContact NZ-OE2 2.59Å; K216-E219 PolarHBondContact NZ-OE2 3Å; K216-E219 PolarHBondContact O-N 3.39Å; K216-E219 VanDerWaalsContact O-N 3.15Å; K216-R220 HydrophobicContact CB-CG 4.09Å; K216-R220 WeakPolarHBondContact O-CB 3.42Å; K216-R220 WeakPolarHBondContact O-CG 3.48Å; K216-R220 PolarHBondContact O-N 2.88Å
217K95.5Very high96.8Very high110 Ų11057.9 Ų57.948%0.47827%0.269SS..Hα-helixtrans-50.6-50.8-166.4-172.2175.7179.8179.60113.8I213 E219 R220 E221I213-K217 VanDerWaalsContact O-CA 3.25Å; I213-K217 WeakPolarHBondContact O-CA 3.32Å; I213-K217 PolarHBondContact O-N 2.94Å; K217-E219 PolarHBondContact O-N 3.42Å; K217-R220 PolarHBondContact O-N 3.06Å; K217-E221 WeakPolarHBondContact O-CB 3.27Å; K217-E221 WeakPolarHBondContact O-CG 3.17Å; K217-E221 PolarHBondContact O-N 3.24Å
218I94.4Very high96.7Very high153 Ų15353.9 Ų53.979%0.78525%0.248SC*.Hα-helixtrans-60.8-45-177.2-59.5173.1000111.1K216K216-I218 PolarHBondContact O-N 2.88Å
219E96.1Very high96.6Very high109 Ų10954.5 Ų54.551%0.50925%0.252SS..Hα-helixtrans-73.1-26.5-179.4-64.5174.5-146.200113K216 K217 L222 Y223K216-E219 HydrophobicContact CB-CB 4.32Å; K216-E219 WeakPolarHBondContact CD-OE2 3.27Å; K216-E219 IonicContact NZ-OE1 3.43Å; K216-E219 PolarHBondContact NZ-OE1 3.33Å; K216-E219 IonicContact NZ-OE2 2.59Å; K216-E219 PolarHBondContact NZ-OE2 3Å; K216-E219 PolarHBondContact O-N 3.39Å; K216-E219 VanDerWaalsContact O-N 3.15Å; K217-E219 PolarHBondContact O-N 3.42Å; E219-L222 VanDerWaalsContact O-CD2 3.27Å; E219-L222 WeakPolarHBondContact O-CD2 3.32Å; E219-Y223 WeakPolarHBondContact O-CE2 3.47Å
220R97.3Very high96.6Very high18 Ų1854.5 Ų54.57%0.06825%0.252CS..Hα-helixtrans-111.5-17.4-165-67.8177.5172.6-176.9-5115L181 L183 W212 I213 K216 K217 L222 Y223L181-R220 PolarHBondContact O-NH1 3.31Å; L181-R220 PolarHBondContact O-NH2 2.96Å; L183-R220 PolarHBondContact O-NH2 3.12Å; W212-R220 VanDerWaalsContact CE2-NH1 3.27Å; W212-R220 HydrophobicContact CE3-CB 4.44Å; W212-R220 HydrophobicContact CE3-CG 4.35Å; W212-R220 HydrophobicContact CH2-CB 4.47Å; W212-R220 HydrophobicContact CH2-CG 3.79Å; W212-R220 HydrophobicContact CZ3-CB 3.88Å; W212-R220 HydrophobicContact CZ3-CG 3.67Å; W212-R220 WeakPolarHBondContact O-CD 3.45Å; W212-R220 PolarHBondContact O-NH1 2.92Å; I213-R220 HydrophobicContact CB-CB 4.3Å; I213-R220 HydrophobicContact CG1-CB 4.32Å; I213-R220 HydrophobicContact CG2-CB 4.07Å; K216-R220 HydrophobicContact CB-CG 4.09Å; K216-R220 WeakPolarHBondContact O-CB 3.42Å; K216-R220 WeakPolarHBondContact O-CG 3.48Å; K216-R220 PolarHBondContact O-N 2.88Å; K217-R220 PolarHBondContact O-N 3.06Å; R220-L222 PolarHBondContact O-N 3.37Å; R220-Y223 HydrophobicContact CB-CD2 4.32Å; R220-Y223 HydrophobicContact CG-CD2 4.4Å; R220-Y223 WeakPolarHBondContact O-CB 3.46Å; R220-Y223 PolarHBondContact O-N 2.72Å
221E95.7Very high96.6Very high54 Ų5453.8 Ų53.825%0.25225%0.248SC..G310 helixtrans-61.2-32.3-177.165.5176.7-163.500112.6I213 K217 Y223 I224 I249 K252I213-E221 HydrophobicContact CG2-CB 4.26Å; K217-E221 WeakPolarHBondContact O-CB 3.27Å; K217-E221 WeakPolarHBondContact O-CG 3.17Å; K217-E221 PolarHBondContact O-N 3.24Å; E221-Y223 PolarHBondContact O-N 3.3Å; E221-Y223 VanDerWaalsContact O-N 3.15Å; E221-I224 WeakPolarHBondContact O-CG2 3.42Å; E221-I224 PolarHBondContact O-N 2.99Å; E221-I249 HydrophobicContact CB-CG2 4.36Å; E221-K252 IonicContact OE1-NZ 2.77Å; E221-K252 PolarHBondContact OE1-NZ 2.86Å; E221-K252 VanDerWaalsContact OE1-NZ 3.09Å; E221-K252 IonicContact OE2-NZ 2.64Å; E221-K252 PolarHBondContact OE2-NZ 3Å
222L95.2Very high96.5Very high94 Ų9449.7 Ų49.749%0.49223%0.23SC..G310 helixtrans-63.6-17.2176.471.1113.6000114.3E219 R220E219-L222 VanDerWaalsContact O-CD2 3.27Å; E219-L222 WeakPolarHBondContact O-CD2 3.32Å; R220-L222 PolarHBondContact O-N 3.37Å
223Y96.8Very high96.4Very high74 Ų7449.5 Ų49.529%0.2923%0.23SC..G310 helixtrans-89.43.4-180-57.2-46.2000113.8L185 W212 E219 R220 E221 Y225 D226 L227L185-Y223 HydrophobicContact CD1-CD1 4.47Å; L185-Y223 HydrophobicContact CD1-CD2 4.2Å; L185-Y223 HydrophobicContact CD1-CG 3.94Å; L185-Y223 HydrophobicContact CD2-CD1 3.49Å; L185-Y223 VanDerWaalsContact CD2-CD1 3.49Å; L185-Y223 HydrophobicContact CD2-CD2 4.18Å; L185-Y223 HydrophobicContact CD2-CE1 3.67Å; L185-Y223 HydrophobicContact CD2-CE2 4.34Å; L185-Y223 HydrophobicContact CD2-CG 3.77Å; L185-Y223 HydrophobicContact CG-CG 4.4Å; W212-Y223 HydrophobicContact CH2-CD2 4.43Å; W212-Y223 HydrophobicContact CZ3-CD2 4.46Å; E219-Y223 WeakPolarHBondContact O-CE2 3.47Å; R220-Y223 HydrophobicContact CB-CD2 4.32Å; R220-Y223 HydrophobicContact CG-CD2 4.4Å; R220-Y223 WeakPolarHBondContact O-CB 3.46Å; R220-Y223 PolarHBondContact O-N 2.72Å; E221-Y223 PolarHBondContact O-N 3.3Å; E221-Y223 VanDerWaalsContact O-N 3.15Å; Y223-Y225 VanDerWaalsContact C-N 3.3Å; Y223-Y225 PolarHBondContact O-N 2.91Å; Y223-D226 WeakPolarHBondContact O-CB 3.46Å; Y223-D226 PolarHBondContact O-N 3.27Å; Y223-L227 VanDerWaalsContact O-CG 3.31Å; Y223-L227 WeakPolarHBondContact O-CG 3.34Å; Y223-L227 PolarHBondContact O-N 3.38Å
224I96.7Very high96.2Very high0 Ų050.2 Ų50.20%024%0.237CC..Hα-helixtrans-58.5-41.9-176.3-172.261.8000112.1F206 I209 I210 I213 E221 L227 L228 I249 I250 M253F206-I224 HydrophobicContact CE2-CD1 4.33Å; I209-I224 HydrophobicContact CG2-CD1 4.1Å; I210-I224 HydrophobicContact CD1-CD1 4.07Å; I213-I224 HydrophobicContact CD1-CB 4.3Å; I213-I224 HydrophobicContact CD1-CD1 3.8Å; E221-I224 WeakPolarHBondContact O-CG2 3.42Å; E221-I224 PolarHBondContact O-N 2.99Å; I224-L227 PolarHBondContact O-N 2.99Å; I224-L228 HydrophobicContact CD1-CG 4.32Å; I224-L228 HydrophobicContact CG1-CD1 4.18Å; I224-L228 HydrophobicContact CG1-CG 4.3Å; I224-L228 WeakPolarHBondContact O-CB 3.5Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.49Å; I224-L228 PolarHBondContact O-N 3.1Å; I224-I249 HydrophobicContact CB-CG2 3.84Å; I224-I249 HydrophobicContact CD1-CG2 4.38Å; I224-I249 HydrophobicContact CG1-CG2 3.95Å; I224-I249 HydrophobicContact CG2-CG2 4.04Å; I224-I250 HydrophobicContact CG1-CG1 4.14Å; I224-M253 HydrophobicContact CG2-CB 4.08Å; I224-M253 HydrophobicContact CG2-CG 4.12Å; I224-M253 HydrophobicContact CG2-SD 3.42Å; I224-M253 WeakPolarHBondContact CG2-SD 3.42Å
225Y95Very high96Very high72 Ų7251.6 Ų51.628%0.28224%0.236SC..Hα-helixtrans-58-52.6176.4174.1-103.7000111.3Y223 L227 L228 T229 S256 H259 L260Y223-Y225 VanDerWaalsContact C-N 3.3Å; Y223-Y225 PolarHBondContact O-N 2.91Å; Y225-L227 PolarHBondContact O-N 3.33Å; Y225-L228 PolarHBondContact O-N 3.47Å; Y225-L228 VanDerWaalsContact O-N 3.16Å; Y225-T229 HydrophobicContact CE1-CG2 4.2Å; Y225-T229 HydrophobicContact CE2-CG2 4.16Å; Y225-T229 WeakPolarHBondContact O-CG2 3.35Å; Y225-T229 PolarHBondContact O-N 3.05Å; Y225-T229 VanDerWaalsContact O-N 3.08Å; Y225-S256 WeakPolarHBondContact CD2-O 3.11Å; Y225-S256 WeakPolarHBondContact CE2-O 3.17Å; Y225-H259 AromaticContact CE2-CE1 3.2Å; Y225-H259 WeakPolarHBondContact CE2-CE1 3.45Å; Y225-H259 AromaticContact CE2-NE2 3.54Å; Y225-H259 AromaticContact CZ-CE1 3.72Å; Y225-H259 AromaticContact CZ-NE2 3.85Å; Y225-H259 PolarHBondContact OH-CE1 3.46Å; Y225-H259 PolarHBondContact OH-NE2 3.19Å; Y225-L260 HydrophobicContact CD2-CD1 3.71Å; Y225-L260 HydrophobicContact CD2-CG 4.4Å; Y225-L260 HydrophobicContact CE2-CD1 3.55Å; Y225-L260 HydrophobicContact CE2-CD2 4.21Å; Y225-L260 HydrophobicContact CE2-CG 3.85Å
226D95.3Very high95.9Very high54 Ų5446.9 Ų46.929%0.28922%0.218SC..Hα-helixtrans-56.7-34.9177.4-91-56.6000113.5K189 Y223 T229 C230K189-D226 HydrophobicContact CD-CB 4.47Å; K189-D226 IonicContact NZ-OD1 2.87Å; K189-D226 PolarHBondContact NZ-OD1 3.33Å; Y223-D226 WeakPolarHBondContact O-CB 3.46Å; Y223-D226 PolarHBondContact O-N 3.27Å; D226-T229 PolarHBondContact O-OG1 2.79Å; D226-C230 PolarHBondContact O-SG 3.26Å
227L97.7Very high95.6Very high0 Ų045.5 Ų45.50%022%0.219CC..Hα-helixtrans-80.4-34.9179.9-68.2168.5000111.8L185 L188 K189 L192 I209 W212 I213 Y223 I224 Y225 C230L185-L227 HydrophobicContact CD1-CD1 4.46Å; L185-L227 HydrophobicContact CD1-CD2 3.86Å; L185-L227 HydrophobicContact CD1-CG 4.09Å; L188-L227 HydrophobicContact CD2-CD2 3.82Å; L188-L227 HydrophobicContact CG-CD2 4.13Å; K189-L227 HydrophobicContact CG-CD2 4.25Å; L192-L227 HydrophobicContact CD1-CD2 3.89Å; I209-L227 HydrophobicContact CD1-CB 4.09Å; I209-L227 HydrophobicContact CG1-CB 4.29Å; I209-L227 HydrophobicContact CG2-CB 3.9Å; I209-L227 HydrophobicContact CG2-CD1 3.75Å; I209-L227 HydrophobicContact CG2-CG 4.4Å; W212-L227 HydrophobicContact CE3-CD1 4.18Å; W212-L227 HydrophobicContact CZ3-CD1 4.05Å; I213-L227 HydrophobicContact CD1-CD1 4.09Å; I213-L227 HydrophobicContact CG1-CD1 4.12Å; Y223-L227 VanDerWaalsContact O-CG 3.31Å; Y223-L227 WeakPolarHBondContact O-CG 3.34Å; Y223-L227 PolarHBondContact O-N 3.38Å; I224-L227 PolarHBondContact O-N 2.99Å; Y225-L227 PolarHBondContact O-N 3.33Å; L227-C230 VanDerWaalsContact O-CB 3.28Å; L227-C230 WeakPolarHBondContact O-CB 3.2Å; L227-C230 PolarHBondContact O-N 3Å
228L96.9Very high95.5Very high0 Ų045.3 Ų45.30%022%0.223CC..Hα-helixtrans-64.5-38.2174-73.8177.1000112F206 I224 Y225 C230 L231 L233 I250 C257 L260F206-L228 HydrophobicContact CD2-CD2 3.94Å; F206-L228 HydrophobicContact CE2-CD2 4.18Å; I224-L228 HydrophobicContact CD1-CG 4.32Å; I224-L228 HydrophobicContact CG1-CD1 4.18Å; I224-L228 HydrophobicContact CG1-CG 4.3Å; I224-L228 WeakPolarHBondContact O-CB 3.5Å; I224-L228 VanDerWaalsContact O-CG 3.31Å; I224-L228 WeakPolarHBondContact O-CG 3.49Å; I224-L228 PolarHBondContact O-N 3.1Å; Y225-L228 PolarHBondContact O-N 3.47Å; Y225-L228 VanDerWaalsContact O-N 3.16Å; L228-C230 PolarHBondContact O-N 3.24Å; L228-L231 HydrophobicContact CD2-CD1 4.26Å; L228-L231 PolarHBondContact O-N 3.15Å; L228-L233 HydrophobicContact CB-CD1 4.38Å; L228-L233 HydrophobicContact CD2-CD2 4.24Å; L228-I250 HydrophobicContact CD1-CD1 4.14Å; L228-I250 HydrophobicContact CD1-CG1 4.21Å; L228-C257 HydrophobicContact CD1-CB 4.16Å; L228-L260 HydrophobicContact CB-CD1 3.76Å
229T95.4Very high95.6Very high17 Ų1745 Ų4510%0.10422%0.218CC..THydrogen-bonded Turntrans-64.8-8.5172.566.10000113.5Y225 D226 L260 Y292Y225-T229 HydrophobicContact CE1-CG2 4.2Å; Y225-T229 HydrophobicContact CE2-CG2 4.16Å; Y225-T229 WeakPolarHBondContact O-CG2 3.35Å; Y225-T229 PolarHBondContact O-N 3.05Å; Y225-T229 VanDerWaalsContact O-N 3.08Å; D226-T229 PolarHBondContact O-OG1 2.79Å; T229-L260 HydrophobicContact CG2-CD1 3.84Å; T229-L260 HydrophobicContact CG2-CD2 4Å; T229-Y292 WeakPolarHBondContact O-CE1 3.48Å
230C97.3Very high95.6Very high0 Ų041.7 Ų41.70%020%0.204CC..THydrogen-bonded Turntrans-90.6-13.3173.4-57.90000112.9L192 K193 D226 L227 L228 R232 Y292L192-C230 HydrophobicContact CB-CB 3.63Å; L192-C230 HydrophobicContact CD1-CB 4.33Å; K193-C230 VanDerWaalsContact CE-SG 3.5Å; K193-C230 HydrophobicContact CG-CB 3.83Å; K193-C230 VanDerWaalsContact CG-SG 3.6Å; D226-C230 PolarHBondContact O-SG 3.26Å; L227-C230 VanDerWaalsContact O-CB 3.28Å; L227-C230 WeakPolarHBondContact O-CB 3.2Å; L227-C230 PolarHBondContact O-N 3Å; L228-C230 PolarHBondContact O-N 3.24Å; C230-R232 PolarHBondContact O-NH1 2.84Å; C230-Y292 VanDerWaalsContact C-OH 3.32Å; C230-Y292 WeakPolarHBondContact CA-OH 3.46Å; C230-Y292 PolarHBondContact O-OH 2.93Å
231L97.6Very high95.5Very high0 Ų040.9 Ų40.90%020%0.201CC..SBendtrans-90.3160.6-179.5-59.1-171.8000112.1L192 E202 L205 F206 I209 L228 L233 L293L192-L231 HydrophobicContact CD2-CD2 4.48Å; E202-L231 VanDerWaalsContact OE2-CA 3.28Å; E202-L231 WeakPolarHBondContact OE2-CA 3.27Å; E202-L231 WeakPolarHBondContact OE2-CB 3.33Å; L205-L231 HydrophobicContact CB-CD2 3.59Å; L205-L231 HydrophobicContact CD1-CD2 3.96Å; L205-L231 HydrophobicContact CG-CD2 4.45Å; F206-L231 HydrophobicContact CB-CD1 3.98Å; I209-L231 HydrophobicContact CD1-CD1 3.84Å; I209-L231 HydrophobicContact CD1-CD2 3.72Å; I209-L231 HydrophobicContact CD1-CG 3.9Å; L228-L231 HydrophobicContact CD2-CD1 4.26Å; L228-L231 PolarHBondContact O-N 3.15Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 HydrophobicContact CB-CD2 3.82Å; L231-L233 HydrophobicContact CB-CG 4.13Å; L231-L233 HydrophobicContact CD1-CD2 4.04Å; L231-L233 PolarHBondContact O-N 3.44Å; L231-L293 VanDerWaalsContact O-CD2 3.3Å; L231-L293 WeakPolarHBondContact O-CD2 3.5Å
232R96.3Very high95.5Very high0 Ų041.7 Ų41.70%021%0.207CC..  trans-92.962.7171.4-51.7-63.5-175.6-80.46.1110K193 D195 E202 C230 G234 R235 Y292 L293 K295 R297K193-R232 PolarHBondContact O-NH2 2.98Å; D195-R232 IonicContact OD1-CZ 3.19Å; D195-R232 IonicContact OD1-NE 3.07Å; D195-R232 IonicContact OD1-NH2 2.82Å; D195-R232 PolarHBondContact OD1-NH2 2.89Å; E202-R232 VanDerWaalsContact CD-N 3.26Å; E202-R232 HydrophobicContact CG-CB 3.77Å; E202-R232 WeakPolarHBondContact CG-O 3.36Å; E202-R232 WeakPolarHBondContact OE1-CG 3.4Å; E202-R232 PolarHBondContact OE2-N 3.3Å; C230-R232 PolarHBondContact O-NH1 2.84Å; R232-G234 PolarHBondContact O-N 2.93Å; R232-G234 VanDerWaalsContact O-N 3.09Å; R232-R235 HydrophobicContact CB-CB 4.36Å; R232-R235 HydrophobicContact CB-CG 3.74Å; R232-R235 VanDerWaalsContact O-CB 3.28Å; R232-R235 WeakPolarHBondContact O-CB 3.25Å; R232-R235 PolarHBondContact O-N 2.93Å; R232-Y292 WeakPolarHBondContact CD-O 3.35Å; R232-Y292 PolarHBondContact NE-O 3.42Å; R232-Y292 PolarHBondContact NH1-OH 3.46Å; R232-L293 CarbonylContact C-O 3.11Å; R232-L293 WeakPolarHBondContact CA-O 3.45Å; R232-K295 WeakPolarHBondContact CD-O 3.43Å; R232-K295 WeakPolarHBondContact CG-O 3.45Å; R232-K295 PolarHBondContact NE-O 2.82Å; R232-R297 HydrophobicContact CG-CG 4.32Å
233L95.8Very high95.6Very high0 Ų041 Ų410%020%0.204CC..G310 helixtrans-56.3-30.4-170.4-62.2176.4000113.7L228 L231 R235 L236 L244 L260 L261 A264 L293L228-L233 HydrophobicContact CB-CD1 4.38Å; L228-L233 HydrophobicContact CD2-CD2 4.24Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 HydrophobicContact CB-CD2 3.82Å; L231-L233 HydrophobicContact CB-CG 4.13Å; L231-L233 HydrophobicContact CD1-CD2 4.04Å; L231-L233 PolarHBondContact O-N 3.44Å; L233-R235 PolarHBondContact O-N 2.83Å; L233-R235 VanDerWaalsContact O-N 3.1Å; L233-L236 HydrophobicContact CD2-CD1 4.01Å; L233-L236 WeakPolarHBondContact O-CB 3.27Å; L233-L236 PolarHBondContact O-N 2.8Å; L233-L236 VanDerWaalsContact O-N 3.09Å; L233-L244 HydrophobicContact CD2-CD2 4.11Å; L233-L260 HydrophobicContact CD1-CB 4Å; L233-L261 HydrophobicContact CD1-CD2 4.42Å; L233-A264 HydrophobicContact CB-CB 3.56Å; L233-L293 HydrophobicContact CB-CD2 4.19Å; L233-L293 HydrophobicContact CD1-CD2 4.18Å; L233-L293 HydrophobicContact CG-CD2 4.12Å; L233-L293 PolarHBondContact N-O 2.88Å
234G93.8Very high95.6Very high14 Ų1437.4 Ų37.414%0.14419%0.19CC..G310 helixtrans-69.40.6174.700000114.6R232 L293R232-G234 PolarHBondContact O-N 2.93Å; R232-G234 VanDerWaalsContact O-N 3.09Å; G234-L293 PolarHBondContact N-O 3.03Å
235R93.1Very high95.5Very high114 Ų11438.2 Ų38.243%0.4320%0.195SC..G310 helixtrans-99.5-1.3171.7-55-57.3-61.8149.5-5.7113.1E202 R232 L233 H294 R330E202-R235 HydrophobicContact CG-CB 4.4Å; R232-R235 HydrophobicContact CB-CB 4.36Å; R232-R235 HydrophobicContact CB-CG 3.74Å; R232-R235 VanDerWaalsContact O-CB 3.28Å; R232-R235 WeakPolarHBondContact O-CB 3.25Å; R232-R235 PolarHBondContact O-N 2.93Å; L233-R235 PolarHBondContact O-N 2.83Å; L233-R235 VanDerWaalsContact O-N 3.1Å; R235-H294 WeakPolarHBondContact CD-O 3.23Å; R235-R330 PolarHBondContact NE-O 3.23Å; R235-R330 PolarHBondContact NH2-O 2.78Å
236L94.3Very high95.6Very high18 Ų1842 Ų429%0.09421%0.213CC..SBendtrans-83.2151.7175.3-68.6177.8000110.9E202 K203 L233 D240 L241 L244E202-L236 HydrophobicContact CB-CD2 3.79Å; E202-L236 HydrophobicContact CB-CG 4.12Å; K203-L236 HydrophobicContact CB-CD2 3.78Å; L233-L236 HydrophobicContact CD2-CD1 4.01Å; L233-L236 WeakPolarHBondContact O-CB 3.27Å; L233-L236 PolarHBondContact O-N 2.8Å; L233-L236 VanDerWaalsContact O-N 3.09Å; L236-D240 HydrophobicContact CB-CB 3.9Å; L236-D240 HydrophobicContact CD1-CB 4.49Å; L236-D240 HydrophobicContact CD2-CB 4.02Å; L236-D240 HydrophobicContact CG-CB 4.36Å; L236-L241 HydrophobicContact CB-CD2 4.01Å; L236-L241 HydrophobicContact CB-CG 3.86Å; L236-L241 HydrophobicContact CD1-CD2 3.86Å; L236-L241 HydrophobicContact CD1-CG 4.48Å; L236-L244 HydrophobicContact CD1-CD2 3.64Å
237S92.3Very high95.7Very high54 Ų5441.8 Ų41.838%0.37821%0.211SC..  trans-68.6161.3168.669.90000110.7E239 D240 L241S237-E239 PolarHBondContact O-N 2.95Å; S237-D240 WeakPolarHBondContact O-CB 3.38Å; S237-D240 PolarHBondContact O-N 3.29Å; S237-D240 WeakPolarHBondContact OG-CB 3.4Å; S237-D240 VanDerWaalsContact OG-CG 3.28Å; S237-D240 PolarHBondContact OG-N 2.86Å; S237-D240 PolarHBondContact OG-OD2 2.81Å; S237-L241 WeakPolarHBondContact O-CG 3.3Å; S237-L241 PolarHBondContact O-N 2.78Å
238N93.4Very high95.7Very high106 Ų10646.1 Ų46.157%0.56724%0.239SC*.Hα-helixtrans-60.7-33.9173.4-77.6-33000112.1L241 N242N238-L241 PolarHBondContact O-N 2.98Å; N238-N242 WeakPolarHBondContact O-CB 3.41Å; N238-N242 PolarHBondContact O-N 2.77Å; N238-N242 PolarHBondContact O-ND2 2.97Å; N238-N242 PolarHBondContact O-OD1 3.04Å
239E94.9Very high95.6Very high146 Ų14646.5 Ų46.568%0.68224%0.241SC*.Hα-helixtrans-63-48.5174-174.3174.2-170.700110.9S237 L241 N242 D243S237-E239 PolarHBondContact O-N 2.95Å; E239-L241 VanDerWaalsContact C-N 3.32Å; E239-L241 PolarHBondContact O-N 2.99Å; E239-N242 WeakPolarHBondContact O-CB 3.38Å; E239-N242 PolarHBondContact O-N 3.2Å; E239-N242 VanDerWaalsContact O-N 3.1Å; E239-D243 PolarHBondContact O-N 2.89Å
240D96Very high95.6Very high40 Ų4045.7 Ų45.721%0.21424%0.236CC..Hα-helixtrans-59-42.9176.2-78.5-50.7000112.6K203 L236 S237 N242 D243 L244K203-D240 HydrophobicContact CD-CB 4.4Å; K203-D240 WeakPolarHBondContact CD-OD1 3.34Å; K203-D240 WeakPolarHBondContact CE-OD1 3.32Å; K203-D240 WeakPolarHBondContact CG-OD1 3.4Å; K203-D240 IonicContact NZ-OD1 2.77Å; K203-D240 PolarHBondContact NZ-OD1 2.99Å; L236-D240 HydrophobicContact CB-CB 3.9Å; L236-D240 HydrophobicContact CD1-CB 4.49Å; L236-D240 HydrophobicContact CD2-CB 4.02Å; L236-D240 HydrophobicContact CG-CB 4.36Å; S237-D240 WeakPolarHBondContact O-CB 3.38Å; S237-D240 PolarHBondContact O-N 3.29Å; S237-D240 WeakPolarHBondContact OG-CB 3.4Å; S237-D240 VanDerWaalsContact OG-CG 3.28Å; S237-D240 PolarHBondContact OG-N 2.86Å; S237-D240 PolarHBondContact OG-OD2 2.81Å; D240-N242 VanDerWaalsContact C-N 3.3Å; D240-N242 PolarHBondContact O-N 2.82Å; D240-D243 WeakPolarHBondContact O-CB 2.96Å; D240-D243 PolarHBondContact O-N 2.84Å; D240-L244 VanDerWaalsContact O-CD1 3.23Å; D240-L244 WeakPolarHBondContact O-CD1 3.42Å; D240-L244 PolarHBondContact O-N 2.68Å
241L96.3Very high95.6Very high2 Ų250.2 Ų50.21%0.0126%0.257CS..Hα-helixtrans-66.2-32.8177.7-70.8171.3000112.2L236 S237 N238 E239 S245 L261 A264 R265L236-L241 HydrophobicContact CB-CD2 4.01Å; L236-L241 HydrophobicContact CB-CG 3.86Å; L236-L241 HydrophobicContact CD1-CD2 3.86Å; L236-L241 HydrophobicContact CD1-CG 4.48Å; S237-L241 WeakPolarHBondContact O-CG 3.3Å; S237-L241 PolarHBondContact O-N 2.78Å; N238-L241 PolarHBondContact O-N 2.98Å; E239-L241 VanDerWaalsContact C-N 3.32Å; E239-L241 PolarHBondContact O-N 2.99Å; L241-S245 WeakPolarHBondContact O-CB 3.5Å; L241-S245 PolarHBondContact O-N 3.42Å; L241-L261 HydrophobicContact CD2-CD2 4.05Å; L241-A264 HydrophobicContact CD1-CB 4.28Å; L241-A264 HydrophobicContact CD2-CB 4.08Å; L241-R265 HydrophobicContact CD1-CG 3.68Å; L241-R265 PolarHBondContact O-NH2 2.83Å
242N96.2Very high95.5Very high71 Ų7156.7 Ų56.738%0.3829%0.285SS..Hα-helixtrans-72.3-36.6174.8-70.9-18.4000112.2N238 E239 D240 S245 K246 R265N238-N242 WeakPolarHBondContact O-CB 3.41Å; N238-N242 PolarHBondContact O-N 2.77Å; N238-N242 PolarHBondContact O-ND2 2.97Å; N238-N242 PolarHBondContact O-OD1 3.04Å; E239-N242 WeakPolarHBondContact O-CB 3.38Å; E239-N242 PolarHBondContact O-N 3.2Å; E239-N242 VanDerWaalsContact O-N 3.1Å; D240-N242 VanDerWaalsContact C-N 3.3Å; D240-N242 PolarHBondContact O-N 2.82Å; N242-S245 PolarHBondContact O-OG 3.07Å; N242-K246 VanDerWaalsContact O-CG 3.3Å; N242-K246 WeakPolarHBondContact O-CG 3.43Å; N242-K246 PolarHBondContact O-N 3.35Å; N242-R265 PolarHBondContact OD1-NH2 3.32Å
243D96.4Very high95.3Very high78 Ų7859.1 Ų59.142%0.41730%0.297SS..Hα-helixtrans-65.4-44.3171.7-77-8.1000111.7K203 E239 D240 S245 K246 H247K203-D243 IonicContact NZ-OD2 3.25Å; K203-D243 PolarHBondContact NZ-OD2 3.01Å; E239-D243 PolarHBondContact O-N 2.89Å; D240-D243 WeakPolarHBondContact O-CB 2.96Å; D240-D243 PolarHBondContact O-N 2.84Å; D243-S245 VanDerWaalsContact C-N 3.34Å; D243-K246 PolarHBondContact O-N 2.69Å; D243-H247 PolarHBondContact O-N 3.21Å
244L96.7Very high95.2Very high0 Ų063 Ų630%031%0.312CS..Hα-helixtrans-60-46.6176.6-98.765.7000110.3K203 F206 L233 L236 D240 K246 H247 I250K203-L244 HydrophobicContact CD-CD1 3.54Å; F206-L244 HydrophobicContact CB-CD1 4.5Å; F206-L244 HydrophobicContact CB-CD2 4.47Å; F206-L244 HydrophobicContact CD1-CD1 3.64Å; F206-L244 HydrophobicContact CD1-CG 3.91Å; F206-L244 HydrophobicContact CD2-CD2 4.04Å; F206-L244 HydrophobicContact CD2-CG 4.01Å; F206-L244 HydrophobicContact CE1-CD1 3.93Å; F206-L244 HydrophobicContact CE1-CG 3.94Å; F206-L244 HydrophobicContact CE2-CD2 4.44Å; F206-L244 HydrophobicContact CE2-CG 4.06Å; F206-L244 HydrophobicContact CG-CD1 3.97Å; F206-L244 HydrophobicContact CG-CD2 4.09Å; F206-L244 HydrophobicContact CG-CG 3.93Å; F206-L244 HydrophobicContact CZ-CG 4.01Å; L233-L244 HydrophobicContact CD2-CD2 4.11Å; L236-L244 HydrophobicContact CD1-CD2 3.64Å; D240-L244 VanDerWaalsContact O-CD1 3.23Å; D240-L244 WeakPolarHBondContact O-CD1 3.42Å; D240-L244 PolarHBondContact O-N 2.68Å; L244-K246 PolarHBondContact O-N 2.79Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.07Å; L244-I250 HydrophobicContact CB-CD1 4.14Å; L244-I250 HydrophobicContact CG-CD1 4.38Å; L244-I250 WeakPolarHBondContact O-CD1 3.18Å
245S95.9Very high95.1Very high16 Ų1669.5 Ų69.511%0.11234%0.343CS..Hα-helixtrans-57.8-37.3-179.9710000111.6L241 N242 D243 H247 Q251L241-S245 WeakPolarHBondContact O-CB 3.5Å; L241-S245 PolarHBondContact O-N 3.42Å; N242-S245 PolarHBondContact O-OG 3.07Å; D243-S245 VanDerWaalsContact C-N 3.34Å; S245-H247 VanDerWaalsContact C-N 3.31Å; S245-H247 PolarHBondContact O-N 2.94Å; S245-Q251 PolarHBondContact O-NE2 3.11Å
246K96.9Very high94.8Very high152 Ų15266.6 Ų66.666%0.66134%0.34SS*.Hα-helixtrans-76.5-10.8179-67.5169.7-173.8174.30114.5N242 D243 L244N242-K246 VanDerWaalsContact O-CG 3.3Å; N242-K246 WeakPolarHBondContact O-CG 3.43Å; N242-K246 PolarHBondContact O-N 3.35Å; D243-K246 PolarHBondContact O-N 2.69Å; L244-K246 PolarHBondContact O-N 2.79Å
247H97.1Very high94.8Very high49 Ų4965.7 Ų65.723%0.22734%0.336CS..SBendtrans-64.5134.1-175.1-169.4-88.8000111.4F206 D243 L244 S245 I249 I250 Q251F206-H247 HydrophobicContact CE1-CB 4.49Å; F206-H247 HydrophobicContact CZ-CB 3.99Å; F206-H247 AromaticContact CZ-CG 3.82Å; D243-H247 PolarHBondContact O-N 3.21Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.07Å; S245-H247 VanDerWaalsContact C-N 3.31Å; S245-H247 PolarHBondContact O-N 2.94Å; H247-I249 VanDerWaalsContact C-N 3.29Å; H247-I249 PolarHBondContact ND1-N 3.4Å; H247-I249 PolarHBondContact O-N 2.87Å; H247-I249 VanDerWaalsContact O-N 3.11Å; H247-I250 HydrophobicContact CB-CB 4.49Å; H247-I250 HydrophobicContact CB-CD1 4.37Å; H247-I250 PolarHBondContact O-N 3.45Å; H247-Q251 PolarHBondContact O-N 2.78Å
248P96.4Very high94.7Very high91 Ų9165.4 Ų65.459%0.59133%0.33SS*.Hα-helixtrans-56.4-37.1-171.4-28.734.5000115Q251 K252P248-Q251 PolarHBondContact O-N 3.01Å; P248-K252 WeakPolarHBondContact O-CG 3.49Å; P248-K252 PolarHBondContact O-N 3.13Å
249I95.9Very high94.5Very high8 Ų863 Ų634%0.04132%0.315CS..Hα-helixtrans-69.1-35.7178.6-59.3-177.9000111.3I210 I213 E221 I224 H247I210-I249 HydrophobicContact CD1-CD1 4.24Å; I213-I249 HydrophobicContact CG2-CD1 3.92Å; E221-I249 HydrophobicContact CB-CG2 4.36Å; I224-I249 HydrophobicContact CB-CG2 3.84Å; I224-I249 HydrophobicContact CD1-CG2 4.38Å; I224-I249 HydrophobicContact CG1-CG2 3.95Å; I224-I249 HydrophobicContact CG2-CG2 4.04Å; H247-I249 VanDerWaalsContact C-N 3.29Å; H247-I249 PolarHBondContact ND1-N 3.4Å; H247-I249 PolarHBondContact O-N 2.87Å; H247-I249 VanDerWaalsContact O-N 3.11Å
250I96.1Very high94.3Very high0 Ų056 Ų560%028%0.282CS..Hα-helixtrans-71.1-43176.4-72.9173.7000109.8F206 I224 L228 L244 H247 K252 M253 W254 C257 L261F206-I250 HydrophobicContact CE2-CD1 3.58Å; F206-I250 HydrophobicContact CE2-CG1 4.43Å; F206-I250 HydrophobicContact CZ-CD1 3.8Å; I224-I250 HydrophobicContact CG1-CG1 4.14Å; L228-I250 HydrophobicContact CD1-CD1 4.14Å; L228-I250 HydrophobicContact CD1-CG1 4.21Å; L244-I250 HydrophobicContact CB-CD1 4.14Å; L244-I250 HydrophobicContact CG-CD1 4.38Å; L244-I250 WeakPolarHBondContact O-CD1 3.18Å; H247-I250 HydrophobicContact CB-CB 4.49Å; H247-I250 HydrophobicContact CB-CD1 4.37Å; H247-I250 PolarHBondContact O-N 3.45Å; I250-K252 VanDerWaalsContact C-N 3.31Å; I250-K252 PolarHBondContact O-N 3.14Å; I250-M253 CarbonylContact O-C 3.56Å; I250-M253 PolarHBondContact O-N 2.92Å; I250-W254 HydrophobicContact CG2-CE3 4.18Å; I250-W254 HydrophobicContact CG2-CZ3 4.38Å; I250-W254 WeakPolarHBondContact O-CA 3.47Å; I250-W254 PolarHBondContact O-N 2.84Å; I250-C257 HydrophobicContact CG2-CB 4.09Å; I250-L261 HydrophobicContact CG2-CD1 4.4Å
251Q96.6Very high94.2Very high96 Ų9654.1 Ų54.145%0.44927%0.272SS..Hα-helixtrans-58.8-40.4176.8-74.6-65.9-36.500112.5S245 H247 P248 M253 W254S245-Q251 PolarHBondContact O-NE2 3.11Å; H247-Q251 PolarHBondContact O-N 2.78Å; P248-Q251 PolarHBondContact O-N 3.01Å; Q251-M253 PolarHBondContact O-N 2.79Å; Q251-W254 WeakPolarHBondContact O-CB 3.11Å; Q251-W254 PolarHBondContact O-N 2.86Å
252K94.5Very high93.9Very high135 Ų13556.9 Ų56.959%0.58729%0.287SS*.Hα-helixtrans-58.8-31.7172.8-79.3-175173.3-167.90113.8E221 P248 I250E221-K252 IonicContact OE1-NZ 2.77Å; E221-K252 PolarHBondContact OE1-NZ 2.86Å; E221-K252 VanDerWaalsContact OE1-NZ 3.09Å; E221-K252 IonicContact OE2-NZ 2.64Å; E221-K252 PolarHBondContact OE2-NZ 3Å; P248-K252 WeakPolarHBondContact O-CG 3.49Å; P248-K252 PolarHBondContact O-N 3.13Å; I250-K252 VanDerWaalsContact C-N 3.31Å; I250-K252 PolarHBondContact O-N 3.14Å
253M93.3Very high93.6Very high51 Ų5153.8 Ų53.825%0.25127%0.27SS..THydrogen-bonded Turntrans-115.232.9-179.4-65.5-16967.800111.7I224 I250 Q251 N255 S256 C257I224-M253 HydrophobicContact CG2-CB 4.08Å; I224-M253 HydrophobicContact CG2-CG 4.12Å; I224-M253 HydrophobicContact CG2-SD 3.42Å; I224-M253 WeakPolarHBondContact CG2-SD 3.42Å; I250-M253 CarbonylContact O-C 3.56Å; I250-M253 PolarHBondContact O-N 2.92Å; Q251-M253 PolarHBondContact O-N 2.79Å; M253-N255 PolarHBondContact O-N 3.24Å; M253-S256 PolarHBondContact O-N 2.83Å; M253-C257 PolarHBondContact O-N 3.47Å; M253-C257 PolarHBondContact O-SG 2.92Å; M253-C257 VanDerWaalsContact O-SG 3.33Å
254W94.2Very high93.4Very high81 Ų8150.4 Ų50.431%0.30725%0.253SS..Hα-helixtrans-56.5-47-170.9179.4-107000112.7I250 Q251 S256 C257 N258 L261I250-W254 HydrophobicContact CG2-CE3 4.18Å; I250-W254 HydrophobicContact CG2-CZ3 4.38Å; I250-W254 WeakPolarHBondContact O-CA 3.47Å; I250-W254 PolarHBondContact O-N 2.84Å; Q251-W254 WeakPolarHBondContact O-CB 3.11Å; Q251-W254 PolarHBondContact O-N 2.86Å; W254-S256 PolarHBondContact O-N 3.26Å; W254-S256 VanDerWaalsContact O-N 3.15Å; W254-C257 PolarHBondContact O-N 2.79Å; W254-N258 HydrophobicContact CD2-CB 4.16Å; W254-N258 HydrophobicContact CH2-CB 4.42Å; W254-N258 HydrophobicContact CZ2-CB 3.96Å; W254-N258 WeakPolarHBondContact CZ2-OD1 3.36Å; W254-N258 VanDerWaalsContact O-CB 3.27Å; W254-N258 WeakPolarHBondContact O-CB 3.49Å; W254-N258 PolarHBondContact O-N 3.19Å; W254-L261 HydrophobicContact CH2-CD1 4.46Å; W254-L261 HydrophobicContact CZ3-CD1 4.02Å
255N90.1Very high93.2Very high152 Ų15254 Ų5481%0.81327%0.267SS*.Hα-helixtrans-57.5-33.6-179.4-64.6-11.7000112.2M253M253-N255 PolarHBondContact O-N 3.24Å
256S88.3Confident92.8Very high52 Ų5253.8 Ų53.836%0.36427%0.265SS..Hα-helixtrans-83.5-34.3176.4-51.40000112.7Y225 M253 W254 H259Y225-S256 WeakPolarHBondContact CD2-O 3.11Å; Y225-S256 WeakPolarHBondContact CE2-O 3.17Å; M253-S256 PolarHBondContact O-N 2.83Å; W254-S256 PolarHBondContact O-N 3.26Å; W254-S256 VanDerWaalsContact O-N 3.15Å; S256-H259 PolarHBondContact O-CE1 2.89Å; S256-H259 PolarHBondContact O-ND1 3.21Å
257C92.4Very high91.8Very high0 Ų052.2 Ų52.20%027%0.27CS..Hα-helixtrans-91.1-23.8-172.1-61.10000114L228 I250 M253 W254 H259 L260 L261L228-C257 HydrophobicContact CD1-CB 4.16Å; I250-C257 HydrophobicContact CG2-CB 4.09Å; M253-C257 PolarHBondContact O-N 3.47Å; M253-C257 PolarHBondContact O-SG 2.92Å; M253-C257 VanDerWaalsContact O-SG 3.33Å; W254-C257 PolarHBondContact O-N 2.79Å; C257-H259 VanDerWaalsContact C-N 3.34Å; C257-H259 PolarHBondContact O-N 2.84Å; C257-L260 WeakPolarHBondContact O-CB 3.44Å; C257-L260 PolarHBondContact O-N 2.98Å; C257-L261 PolarHBondContact O-N 3.22Å
258N91.8Very high90.9Very high47 Ų4753.2 Ų53.225%0.25128%0.277SS..Hα-helixtrans-59.1-42-172.9-17939.5000112.5W254 L260 L261 L262W254-N258 HydrophobicContact CD2-CB 4.16Å; W254-N258 HydrophobicContact CH2-CB 4.42Å; W254-N258 HydrophobicContact CZ2-CB 3.96Å; W254-N258 WeakPolarHBondContact CZ2-OD1 3.36Å; W254-N258 VanDerWaalsContact O-CB 3.27Å; W254-N258 WeakPolarHBondContact O-CB 3.49Å; W254-N258 PolarHBondContact O-N 3.19Å; N258-L260 VanDerWaalsContact C-N 3.29Å; N258-L260 PolarHBondContact O-N 3.21Å; N258-L261 PolarHBondContact O-N 3.22Å; N258-L261 VanDerWaalsContact O-N 3.07Å; N258-L262 WeakPolarHBondContact O-CG 3.07Å; N258-L262 PolarHBondContact O-N 3.42Å
259H88Confident89.7Confident55 Ų5553.8 Ų53.826%0.25527%0.27SS..Hα-helixtrans-59.8-38.8179.474.4-91.2000112.3Y225 S256 C257 L261 L262 M263Y225-H259 AromaticContact CE2-CE1 3.2Å; Y225-H259 WeakPolarHBondContact CE2-CE1 3.45Å; Y225-H259 AromaticContact CE2-NE2 3.54Å; Y225-H259 AromaticContact CZ-CE1 3.72Å; Y225-H259 AromaticContact CZ-NE2 3.85Å; Y225-H259 PolarHBondContact OH-CE1 3.46Å; Y225-H259 PolarHBondContact OH-NE2 3.19Å; S256-H259 PolarHBondContact O-CE1 2.89Å; S256-H259 PolarHBondContact O-ND1 3.21Å; C257-H259 VanDerWaalsContact C-N 3.34Å; C257-H259 PolarHBondContact O-N 2.84Å; H259-L261 VanDerWaalsContact C-N 3.31Å; H259-L261 PolarHBondContact O-N 2.74Å; H259-L262 PolarHBondContact O-N 3.07Å; H259-M263 WeakPolarHBondContact O-CB 3.47Å; H259-M263 WeakPolarHBondContact O-CG 3.5Å; H259-M263 PolarHBondContact O-N 3.07Å
260L92Very high88.4Confident0 Ų059.8 Ų59.80%030%0.298CS..Hα-helixtrans-62.7-40176.6-62.3178.9000111.6Y225 L228 T229 L233 C257 N258 A264 L289 L293Y225-L260 HydrophobicContact CD2-CD1 3.71Å; Y225-L260 HydrophobicContact CD2-CG 4.4Å; Y225-L260 HydrophobicContact CE2-CD1 3.55Å; Y225-L260 HydrophobicContact CE2-CD2 4.21Å; Y225-L260 HydrophobicContact CE2-CG 3.85Å; L228-L260 HydrophobicContact CB-CD1 3.76Å; T229-L260 HydrophobicContact CG2-CD1 3.84Å; T229-L260 HydrophobicContact CG2-CD2 4Å; L233-L260 HydrophobicContact CD1-CB 4Å; C257-L260 WeakPolarHBondContact O-CB 3.44Å; C257-L260 PolarHBondContact O-N 2.98Å; N258-L260 VanDerWaalsContact C-N 3.29Å; N258-L260 PolarHBondContact O-N 3.21Å; L260-A264 VanDerWaalsContact O-CB 3.23Å; L260-A264 WeakPolarHBondContact O-CB 3.16Å; L260-A264 PolarHBondContact O-N 3.03Å; L260-L289 HydrophobicContact CD2-CD2 3.8Å; L260-L293 HydrophobicContact CD2-CD1 4.38Å
261L93.1Very high87.2Confident0 Ų063.8 Ų63.80%032%0.319CS..Hα-helixtrans-73-31.9179.1-59.2-179.9000112L233 L241 I250 W254 C257 N258 H259 R265L233-L261 HydrophobicContact CD1-CD2 4.42Å; L241-L261 HydrophobicContact CD2-CD2 4.05Å; I250-L261 HydrophobicContact CG2-CD1 4.4Å; W254-L261 HydrophobicContact CH2-CD1 4.46Å; W254-L261 HydrophobicContact CZ3-CD1 4.02Å; C257-L261 PolarHBondContact O-N 3.22Å; N258-L261 PolarHBondContact O-N 3.22Å; N258-L261 VanDerWaalsContact O-N 3.07Å; H259-L261 VanDerWaalsContact C-N 3.31Å; H259-L261 PolarHBondContact O-N 2.74Å; L261-R265 WeakPolarHBondContact O-CG 3.24Å; L261-R265 PolarHBondContact O-N 3.32Å; L261-R265 PolarHBondContact O-NH1 2.9Å
262L90.2Very high85.7Confident60 Ų6059.6 Ų59.631%0.31430%0.3SS..Hα-helixtrans-70.5-45.6173.1-71.3173.1000111.3N258 H259 A264 R265 S266 L275N258-L262 WeakPolarHBondContact O-CG 3.07Å; N258-L262 PolarHBondContact O-N 3.42Å; H259-L262 PolarHBondContact O-N 3.07Å; L262-A264 VanDerWaalsContact C-N 3.29Å; L262-A264 PolarHBondContact O-N 2.94Å; L262-R265 PolarHBondContact O-N 3.4Å; L262-S266 PolarHBondContact O-N 2.91Å; L262-S266 PolarHBondContact O-OG 3.37Å; L262-L275 HydrophobicContact CB-CD2 4.48Å
263M90Very high84.3Confident7 Ų756.4 Ų56.43%0.03429%0.293CS..Hα-helixtrans-57.3-45.5173-73.7-179.6-178.600110.5H259 R265 S266 I272 E286 L289 L293 H294H259-M263 WeakPolarHBondContact O-CB 3.47Å; H259-M263 WeakPolarHBondContact O-CG 3.5Å; H259-M263 PolarHBondContact O-N 3.07Å; M263-R265 VanDerWaalsContact C-N 3.29Å; M263-R265 PolarHBondContact O-N 3.33Å; M263-S266 WeakPolarHBondContact O-CB 3.4Å; M263-S266 PolarHBondContact O-N 3.34Å; M263-S266 VanDerWaalsContact O-N 3.08Å; M263-I272 HydrophobicContact CE-CG2 4.35Å; M263-E286 HydrophobicContact CE-CB 4.12Å; M263-E286 HydrophobicContact CE-CG 3.99Å; M263-E286 VanDerWaalsContact CE-OE1 3.27Å; M263-E286 WeakPolarHBondContact CE-OE1 3.16Å; M263-L289 HydrophobicContact SD-CD2 4.19Å; M263-L293 HydrophobicContact CB-CD1 4.1Å; M263-H294 PolarHBondContact O-CE1 3.15Å
264A92.8Very high82.9Confident7 Ų763.4 Ų63.46%0.05832%0.318CS..Hα-helixtrans-62.8-29.5178.200000114.5L233 L241 L260 L262 S266 H294L233-A264 HydrophobicContact CB-CB 3.56Å; L241-A264 HydrophobicContact CD1-CB 4.28Å; L241-A264 HydrophobicContact CD2-CB 4.08Å; L260-A264 VanDerWaalsContact O-CB 3.23Å; L260-A264 WeakPolarHBondContact O-CB 3.16Å; L260-A264 PolarHBondContact O-N 3.03Å; L262-A264 VanDerWaalsContact C-N 3.29Å; L262-A264 PolarHBondContact O-N 2.94Å; A264-S266 VanDerWaalsContact C-N 3.34Å; A264-H294 PolarHBondContact O-NE2 2.94Å
265R92.2Very high81.4Confident75 Ų7562.8 Ų62.828%0.28332%0.32SS..Hα-helixtrans-80.4-16.7175-73.9-177.4-178.894.9-3.2113.1L241 N242 L261 L262 M263 P267L241-R265 HydrophobicContact CD1-CG 3.68Å; L241-R265 PolarHBondContact O-NH2 2.83Å; N242-R265 PolarHBondContact OD1-NH2 3.32Å; L261-R265 WeakPolarHBondContact O-CG 3.24Å; L261-R265 PolarHBondContact O-N 3.32Å; L261-R265 PolarHBondContact O-NH1 2.9Å; L262-R265 PolarHBondContact O-N 3.4Å; M263-R265 VanDerWaalsContact C-N 3.29Å; M263-R265 PolarHBondContact O-N 3.33Å; R265-P267 WeakPolarHBondContact O-CD 3.27Å
266S87.5Confident79.8Confident11 Ų1159.2 Ų59.28%0.07730%0.301CS..  trans-77.3119.9-169.3-67.40000111.3L262 M263 A264 N268 L275 Y290L262-S266 PolarHBondContact O-N 2.91Å; L262-S266 PolarHBondContact O-OG 3.37Å; M263-S266 WeakPolarHBondContact O-CB 3.4Å; M263-S266 PolarHBondContact O-N 3.34Å; M263-S266 VanDerWaalsContact O-N 3.08Å; A264-S266 VanDerWaalsContact C-N 3.34Å; S266-N268 VanDerWaalsContact C-N 3.27Å; S266-N268 PolarHBondContact O-N 3.05Å; S266-L275 WeakPolarHBondContact OG-CD1 3.4Å; S266-Y290 PolarHBondContact O-OH 3.36Å
267P76Confident78.2Confident119 Ų11962.2 Ų62.277%0.77332%0.322SS*.SBendtrans-72-21.4-17229-35.5000113.2R265 L271R265-P267 WeakPolarHBondContact O-CD 3.27Å; P267-L271 HydrophobicContact CG-CD1 4.11Å
268N77.7Confident76.5Confident70 Ų7066.2 Ų66.237%0.37435%0.35SS..SBendtrans-141.4145.8177.8-166.24.6000110.9S266 E270 L271 Y290S266-N268 VanDerWaalsContact C-N 3.27Å; S266-N268 PolarHBondContact O-N 3.05Å; N268-E270 PolarHBondContact O-N 2.9Å; N268-L271 PolarHBondContact O-N 3.15Å; N268-Y290 VanDerWaalsContact C-OH 3.3Å; N268-Y290 WeakPolarHBondContact CA-OH 3.44Å; N268-Y290 PolarHBondContact N-OH 3.26Å
269K72.1Confident74.7Confident103 Ų10365.7 Ų65.745%0.44835%0.347SS..G310 helixtrans-60.8-26.9179.261-179179.5174.90113.5L271 I272 M287 Y290K269-L271 PolarHBondContact O-N 2.91Å; K269-I272 HydrophobicContact CB-CD1 4.18Å; K269-I272 WeakPolarHBondContact O-CB 3.26Å; K269-I272 VanDerWaalsContact O-CD1 3.31Å; K269-I272 WeakPolarHBondContact O-CD1 3.28Å; K269-I272 WeakPolarHBondContact O-CG1 3.3Å; K269-I272 PolarHBondContact O-N 3.13Å; K269-M287 HydrophobicContact CD-SD 4.4Å; K269-Y290 HydrophobicContact CB-CD1 3.69Å; K269-Y290 HydrophobicContact CB-CE1 3.55Å; K269-Y290 HydrophobicContact CB-CG 4.45Å; K269-Y290 PolarHBondContact N-OH 3.34Å
270E68.1Low72.9Confident135 Ų13568.8 Ų68.863%0.63137%0.37SS*.G310 helixtrans-67.7-16.6-177.6-68.3174.5-177.100113.4N268 P273N268-E270 PolarHBondContact O-N 2.9Å; E270-P273 WeakPolarHBondContact O-CD 3.3Å
271L69.5Low71.1Confident83 Ų8374 Ų7444%0.43541%0.407SS..G310 helixtrans-83.9-11.8177.7-70.9161.9000113P267 N268 K269 Y274P267-L271 HydrophobicContact CG-CD1 4.11Å; N268-L271 PolarHBondContact O-N 3.15Å; K269-L271 PolarHBondContact O-N 2.91Å; L271-Y274 PolarHBondContact O-N 3.19Å
272I66.7Low69.8Low8 Ų881.5 Ų81.54%0.04144%0.435CS..G310 helixtrans-58.6-46.1-176.6-60.3165.3000113M263 K269 Y274 L275 E286 Y290M263-I272 HydrophobicContact CE-CG2 4.35Å; K269-I272 HydrophobicContact CB-CD1 4.18Å; K269-I272 WeakPolarHBondContact O-CB 3.26Å; K269-I272 VanDerWaalsContact O-CD1 3.31Å; K269-I272 WeakPolarHBondContact O-CD1 3.28Å; K269-I272 WeakPolarHBondContact O-CG1 3.3Å; K269-I272 PolarHBondContact O-N 3.13Å; I272-Y274 PolarHBondContact O-N 2.99Å; I272-L275 WeakPolarHBondContact O-CB 3.41Å; I272-L275 PolarHBondContact O-N 2.81Å; I272-E286 HydrophobicContact CG2-CB 4.39Å; I272-E286 WeakPolarHBondContact CG2-OE2 3.41Å; I272-Y290 VanDerWaalsContact CD1-CB 3.44Å; I272-Y290 HydrophobicContact CD1-CD1 4.17Å; I272-Y290 HydrophobicContact CD1-CD2 3.55Å; I272-Y290 HydrophobicContact CD1-CE2 4.34Å; I272-Y290 HydrophobicContact CD1-CG 3.45Å; I272-Y290 VanDerWaalsContact CD1-CG 3.45Å; I272-Y290 HydrophobicContact CG1-CD2 3.99Å; I272-Y290 HydrophobicContact CG1-CG 4.38Å
273P64.2Low68.6Low68 Ų6882 Ų8244%0.44244%0.438SS..G310 helixtrans-60.4-20.1-178.8-22.134000113.9E270 L283E270-P273 WeakPolarHBondContact O-CD 3.3Å; P273-L283 HydrophobicContact CB-CD2 4.39Å; P273-L283 HydrophobicContact CG-CD2 4.06Å
274Y64.6Low67.6Low198 Ų19889.2 Ų89.278%0.77647%0.471SS*.G310 helixtrans-91.2-9.1179.2-58.6-79.3000113.5L271 I272L271-Y274 PolarHBondContact O-N 3.19Å; I272-Y274 PolarHBondContact O-N 2.99Å
275L62.7Low66.9Low69 Ų6994.1 Ų94.136%0.36150%0.497SS..THydrogen-bonded Turntrans-78.1-29.5-179.2-69.1170000112.5L262 S266 I272L262-L275 HydrophobicContact CB-CD2 4.48Å; S266-L275 WeakPolarHBondContact OG-CD1 3.4Å; I272-L275 WeakPolarHBondContact O-CB 3.41Å; I272-L275 PolarHBondContact O-N 2.81Å
276D57.2Low66.3Low76 Ų7691.7 Ų91.741%0.40649%0.488SS..  trans-157.3112.6173.9179.7-7.3000110.5S278 L279D276-S278 PolarHBondContact O-N 2.87Å; D276-S278 VanDerWaalsContact O-N 3.14Å; D276-S278 WeakPolarHBondContact OD1-CB 3.42Å; D276-S278 PolarHBondContact OD1-N 3.37Å; D276-S278 VanDerWaalsContact OD1-N 3.12Å; D276-S278 PolarHBondContact OD1-OG 3.49Å; D276-L279 HydrophobicContact CB-CD1 3.52Å; D276-L279 HydrophobicContact CB-CG 4.42Å
277S53.2Low66.1Low116 Ų11695.6 Ų95.681%0.81151%0.507SS*.THydrogen-bonded Turntrans-70.4-5-172.755.60000114.3
278S56.1Low66.7Low84 Ų8496.7 Ų96.759%0.58750%0.501SS*.THydrogen-bonded Turntrans-87.5-0.6-178.2680000114.9D276D276-S278 PolarHBondContact O-N 2.87Å; D276-S278 VanDerWaalsContact O-N 3.14Å; D276-S278 WeakPolarHBondContact OD1-CB 3.42Å; D276-S278 PolarHBondContact OD1-N 3.37Å; D276-S278 VanDerWaalsContact OD1-N 3.12Å; D276-S278 PolarHBondContact OD1-OG 3.49Å
279L54Low67.2Low36 Ų3695 Ų9519%0.18849%0.492CS..  trans-110.215.2-160.2-68.8161.4000116.8D276 S281 R282 E286D276-L279 HydrophobicContact CB-CD1 3.52Å; D276-L279 HydrophobicContact CB-CG 4.42Å; L279-S281 PolarHBondContact O-N 2.81Å; L279-R282 PolarHBondContact O-N 3.15Å; L279-E286 WeakPolarHBondContact CD1-OE1 3.26Å
280T51.3Low68.1Low120 Ų12091.1 Ų91.174%0.73648%0.475SS*.THydrogen-bonded Turntrans-56.9-22.4-177.146.90000114.8
281S54.8Low69.3Low109 Ų10988.6 Ų88.676%0.76247%0.469SS*.THydrogen-bonded Turntrans-82.7-6.4177.162.50000115.5L279L279-S281 PolarHBondContact O-N 2.81Å
282R64.5Low70.4Confident157 Ų15786.9 Ų86.959%0.59246%0.457SS*.SBendtrans-124.612.3-175.5-65.7-173.7-178.1-1791114.7L279 E284 D285 E286L279-R282 PolarHBondContact O-N 3.15Å; R282-E284 VanDerWaalsContact C-N 3.26Å; R282-E284 PolarHBondContact O-N 3.12Å; R282-E284 VanDerWaalsContact O-N 3.15Å; R282-D285 PolarHBondContact O-N 2.96Å; R282-D285 VanDerWaalsContact O-N 3.17Å; R282-E286 WeakPolarHBondContact O-CG 3.38Å; R282-E286 PolarHBondContact O-N 2.73Å
283L65.6Low71.7Confident72 Ų7286.5 Ų86.538%0.37746%0.455SS..Hα-helixtrans-53.5-37.9-173.6-79.9161000114.1P273 M287P273-L283 HydrophobicContact CB-CD2 4.39Å; P273-L283 HydrophobicContact CG-CD2 4.06Å; L283-M287 WeakPolarHBondContact O-CB 3.28Å; L283-M287 PolarHBondContact O-N 3.28Å
284E69.3Low73.1Confident158 Ų15885.3 Ų85.374%0.73844%0.443SS*.Hα-helixtrans-65.9-50.9178.4-68.7-174.8166.600111.9R282 E286 M287 E288R282-E284 VanDerWaalsContact C-N 3.26Å; R282-E284 PolarHBondContact O-N 3.12Å; R282-E284 VanDerWaalsContact O-N 3.15Å; E284-E286 VanDerWaalsContact C-N 3.25Å; E284-E286 PolarHBondContact O-N 3.01Å; E284-M287 PolarHBondContact O-N 3.09Å; E284-M287 VanDerWaalsContact O-N 3.15Å; E284-E288 PolarHBondContact O-N 3.28Å
285D78.2Confident74.5Confident110 Ų11080.1 Ų80.159%0.58843%0.425SS*.Hα-helixtrans-58.6-38.6176.8-73.4-23000111.6R282 L289R282-D285 PolarHBondContact O-N 2.96Å; R282-D285 VanDerWaalsContact O-N 3.17Å; D285-L289 VanDerWaalsContact O-CB 3.3Å; D285-L289 WeakPolarHBondContact O-CB 3.38Å; D285-L289 PolarHBondContact O-N 3.18Å
286E79.8Confident75.9Confident24 Ų2478.8 Ų78.811%0.11242%0.42CS..Hα-helixtrans-70.2-37.2177.6-67.1-150.6144.200112.9M263 I272 L279 R282 E284 L289 Y290M263-E286 HydrophobicContact CE-CB 4.12Å; M263-E286 HydrophobicContact CE-CG 3.99Å; M263-E286 VanDerWaalsContact CE-OE1 3.27Å; M263-E286 WeakPolarHBondContact CE-OE1 3.16Å; I272-E286 HydrophobicContact CG2-CB 4.39Å; I272-E286 WeakPolarHBondContact CG2-OE2 3.41Å; L279-E286 WeakPolarHBondContact CD1-OE1 3.26Å; R282-E286 WeakPolarHBondContact O-CG 3.38Å; R282-E286 PolarHBondContact O-N 2.73Å; E284-E286 VanDerWaalsContact C-N 3.25Å; E284-E286 PolarHBondContact O-N 3.01Å; E286-L289 PolarHBondContact O-N 3.17Å; E286-Y290 WeakPolarHBondContact O-CB 3.29Å; E286-Y290 PolarHBondContact O-N 3.45Å
287M83.3Confident77.7Confident93 Ų9375.5 Ų75.546%0.45840%0.402SS..Hα-helixtrans-70.6-37.2177.2-171160.45700111.4K269 L283 E284 T291K269-M287 HydrophobicContact CD-SD 4.4Å; L283-M287 WeakPolarHBondContact O-CB 3.28Å; L283-M287 PolarHBondContact O-N 3.28Å; E284-M287 PolarHBondContact O-N 3.09Å; E284-M287 VanDerWaalsContact O-N 3.15Å; M287-T291 WeakPolarHBondContact O-CB 3.46Å; M287-T291 PolarHBondContact O-N 3.34Å; M287-T291 PolarHBondContact O-OG1 3.46Å
288E87.9Confident79.6Confident141 Ų14173 Ų7366%0.65938%0.377SS*.Hα-helixtrans-62.5-45.8169.9-73.2-165.7172.800111.4E284 T291 Y292E284-E288 PolarHBondContact O-N 3.28Å; E288-T291 PolarHBondContact O-N 2.8Å; E288-Y292 VanDerWaalsContact O-CB 3.3Å; E288-Y292 WeakPolarHBondContact O-CB 3.3Å; E288-Y292 PolarHBondContact O-N 3.17Å
289L88.8Confident81.3Confident36 Ų3669.1 Ų69.119%0.18835%0.349CS..Hα-helixtrans-62.3-46.1177.1-179.660.2000111.5L260 M263 D285 E286 T291 Y292 L293L260-L289 HydrophobicContact CD2-CD2 3.8Å; M263-L289 HydrophobicContact SD-CD2 4.19Å; D285-L289 VanDerWaalsContact O-CB 3.3Å; D285-L289 WeakPolarHBondContact O-CB 3.38Å; D285-L289 PolarHBondContact O-N 3.18Å; E286-L289 PolarHBondContact O-N 3.17Å; L289-T291 PolarHBondContact O-N 2.82Å; L289-Y292 CarbonylContact O-C 3.5Å; L289-Y292 WeakPolarHBondContact O-CB 3.31Å; L289-Y292 PolarHBondContact O-N 2.9Å; L289-L293 HydrophobicContact CD1-CD1 4.39Å; L289-L293 HydrophobicContact CD1-CD2 4.41Å; L289-L293 HydrophobicContact CD1-CG 4.12Å; L289-L293 HydrophobicContact CG-CD1 4.15Å; L289-L293 HydrophobicContact CG-CG 4.3Å; L289-L293 WeakPolarHBondContact O-CB 3.31Å; L289-L293 VanDerWaalsContact O-CG 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.49Å; L289-L293 PolarHBondContact O-N 3.05Å
290Y91.2Very high83.2Confident21 Ų2168.4 Ų68.48%0.08234%0.344CS..Hα-helixtrans-58.2-48.7175.9175.9-89000111.3S266 N268 K269 I272 E286 Y292 L293 H294S266-Y290 PolarHBondContact O-OH 3.36Å; N268-Y290 VanDerWaalsContact C-OH 3.3Å; N268-Y290 WeakPolarHBondContact CA-OH 3.44Å; N268-Y290 PolarHBondContact N-OH 3.26Å; K269-Y290 HydrophobicContact CB-CD1 3.69Å; K269-Y290 HydrophobicContact CB-CE1 3.55Å; K269-Y290 HydrophobicContact CB-CG 4.45Å; K269-Y290 PolarHBondContact N-OH 3.34Å; I272-Y290 VanDerWaalsContact CD1-CB 3.44Å; I272-Y290 HydrophobicContact CD1-CD1 4.17Å; I272-Y290 HydrophobicContact CD1-CD2 3.55Å; I272-Y290 HydrophobicContact CD1-CE2 4.34Å; I272-Y290 HydrophobicContact CD1-CG 3.45Å; I272-Y290 VanDerWaalsContact CD1-CG 3.45Å; I272-Y290 HydrophobicContact CG1-CD2 3.99Å; I272-Y290 HydrophobicContact CG1-CG 4.38Å; E286-Y290 WeakPolarHBondContact O-CB 3.29Å; E286-Y290 PolarHBondContact O-N 3.45Å; Y290-Y292 VanDerWaalsContact C-N 3.27Å; Y290-Y292 PolarHBondContact O-N 3.16Å; Y290-L293 PolarHBondContact O-N 3.43Å; Y290-H294 AromaticContact CD1-ND1 4Å; Y290-H294 AromaticContact CD2-CE1 3.49Å; Y290-H294 VanDerWaalsContact CD2-CE1 3.49Å; Y290-H294 WeakPolarHBondContact CD2-CE1 3.44Å; Y290-H294 AromaticContact CD2-ND1 3.7Å; Y290-H294 AromaticContact CE1-ND1 3.85Å; Y290-H294 AromaticContact CE2-CE1 3.12Å; Y290-H294 WeakPolarHBondContact CE2-CE1 3.49Å; Y290-H294 AromaticContact CE2-ND1 3.56Å; Y290-H294 AromaticContact CE2-NE2 3.82Å; Y290-H294 AromaticContact CG-ND1 3.91Å; Y290-H294 AromaticContact CZ-CE1 3.51Å; Y290-H294 AromaticContact CZ-ND1 3.63Å; Y290-H294 AromaticContact CZ-NE2 3.97Å; Y290-H294 PolarHBondContact O-N 2.85Å; Y290-H294 VanDerWaalsContact O-N 3.1Å; Y290-H294 PolarHBondContact O-ND1 2.73Å
291T91.5Very high85.3Confident81 Ų8163.8 Ų63.850%0.49732%0.316SS..Hα-helixtrans-58.8-44.3178.1-58.70000110.2M287 E288 L289 H294 K295M287-T291 WeakPolarHBondContact O-CB 3.46Å; M287-T291 PolarHBondContact O-N 3.34Å; M287-T291 PolarHBondContact O-OG1 3.46Å; E288-T291 PolarHBondContact O-N 2.8Å; L289-T291 PolarHBondContact O-N 2.82Å; T291-H294 PolarHBondContact O-N 2.95Å; T291-K295 WeakPolarHBondContact O-CB 3.46Å; T291-K295 PolarHBondContact O-N 2.85Å
292Y93.4Very high87.2Confident47 Ų4758.6 Ų58.618%0.18428%0.28CS..Hα-helixtrans-61.6-48175.5175.6-87.6000112K193 T229 C230 R232 E288 L289 Y290 H294 K295K193-Y292 VanDerWaalsContact CA-OH 3.26Å; K193-Y292 WeakPolarHBondContact CA-OH 3.49Å; K193-Y292 WeakPolarHBondContact CG-OH 3.3Å; T229-Y292 WeakPolarHBondContact O-CE1 3.48Å; C230-Y292 VanDerWaalsContact C-OH 3.32Å; C230-Y292 WeakPolarHBondContact CA-OH 3.46Å; C230-Y292 PolarHBondContact O-OH 2.93Å; R232-Y292 WeakPolarHBondContact CD-O 3.35Å; R232-Y292 PolarHBondContact NE-O 3.42Å; R232-Y292 PolarHBondContact NH1-OH 3.46Å; E288-Y292 VanDerWaalsContact O-CB 3.3Å; E288-Y292 WeakPolarHBondContact O-CB 3.3Å; E288-Y292 PolarHBondContact O-N 3.17Å; L289-Y292 CarbonylContact O-C 3.5Å; L289-Y292 WeakPolarHBondContact O-CB 3.31Å; L289-Y292 PolarHBondContact O-N 2.9Å; Y290-Y292 VanDerWaalsContact C-N 3.27Å; Y290-Y292 PolarHBondContact O-N 3.16Å; Y292-H294 PolarHBondContact O-N 3.45Å; Y292-K295 PolarHBondContact O-N 2.76Å; Y292-K295 VanDerWaalsContact O-N 3.15Å
293L94.4Very high88.7Confident0 Ų051.1 Ų51.10%025%0.252CS..Hα-helixtrans-61.3-28.5-178.6-71.1177.6000112.6L231 R232 L233 G234 L260 M263 L289 Y290L231-L293 VanDerWaalsContact O-CD2 3.3Å; L231-L293 WeakPolarHBondContact O-CD2 3.5Å; R232-L293 CarbonylContact C-O 3.11Å; R232-L293 WeakPolarHBondContact CA-O 3.45Å; L233-L293 HydrophobicContact CB-CD2 4.19Å; L233-L293 HydrophobicContact CD1-CD2 4.18Å; L233-L293 HydrophobicContact CG-CD2 4.12Å; L233-L293 PolarHBondContact N-O 2.88Å; G234-L293 PolarHBondContact N-O 3.03Å; L260-L293 HydrophobicContact CD2-CD1 4.38Å; M263-L293 HydrophobicContact CB-CD1 4.1Å; L289-L293 HydrophobicContact CD1-CD1 4.39Å; L289-L293 HydrophobicContact CD1-CD2 4.41Å; L289-L293 HydrophobicContact CD1-CG 4.12Å; L289-L293 HydrophobicContact CG-CD1 4.15Å; L289-L293 HydrophobicContact CG-CG 4.3Å; L289-L293 WeakPolarHBondContact O-CB 3.31Å; L289-L293 VanDerWaalsContact O-CG 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.49Å; L289-L293 PolarHBondContact O-N 3.05Å; Y290-L293 PolarHBondContact O-N 3.43Å
294H93.6Very high90.2Very high43 Ų4347.8 Ų47.820%0.19923%0.234CC..Hα-helixtrans-98-8.6179.2-65.680000113.6R235 M263 A264 Y290 T291 Y292 P296R235-H294 WeakPolarHBondContact CD-O 3.23Å; M263-H294 PolarHBondContact O-CE1 3.15Å; A264-H294 PolarHBondContact O-NE2 2.94Å; Y290-H294 AromaticContact CD1-ND1 4Å; Y290-H294 AromaticContact CD2-CE1 3.49Å; Y290-H294 VanDerWaalsContact CD2-CE1 3.49Å; Y290-H294 WeakPolarHBondContact CD2-CE1 3.44Å; Y290-H294 AromaticContact CD2-ND1 3.7Å; Y290-H294 AromaticContact CE1-ND1 3.85Å; Y290-H294 AromaticContact CE2-CE1 3.12Å; Y290-H294 WeakPolarHBondContact CE2-CE1 3.49Å; Y290-H294 AromaticContact CE2-ND1 3.56Å; Y290-H294 AromaticContact CE2-NE2 3.82Å; Y290-H294 AromaticContact CG-ND1 3.91Å; Y290-H294 AromaticContact CZ-CE1 3.51Å; Y290-H294 AromaticContact CZ-ND1 3.63Å; Y290-H294 AromaticContact CZ-NE2 3.97Å; Y290-H294 PolarHBondContact O-N 2.85Å; Y290-H294 VanDerWaalsContact O-N 3.1Å; Y290-H294 PolarHBondContact O-ND1 2.73Å; T291-H294 PolarHBondContact O-N 2.95Å; Y292-H294 PolarHBondContact O-N 3.45Å; H294-P296 WeakPolarHBondContact O-CD 3.44Å
295K93.2Very high91.4Very high89 Ų8940.3 Ų40.339%0.38720%0.199SC..PPolyproline II helixtrans-68.9123.2-177.9-172.4-178.1-176.6-173.30110.7D195 R232 T291 Y292D195-K295 IonicContact OD1-NZ 2.94Å; D195-K295 WeakPolarHBondContact OD2-CE 3.37Å; D195-K295 IonicContact OD2-NZ 3.53Å; D195-K295 PolarHBondContact OD2-NZ 2.9Å; R232-K295 WeakPolarHBondContact CD-O 3.43Å; R232-K295 WeakPolarHBondContact CG-O 3.45Å; R232-K295 PolarHBondContact NE-O 2.82Å; T291-K295 WeakPolarHBondContact O-CB 3.46Å; T291-K295 PolarHBondContact O-N 2.85Å; Y292-K295 PolarHBondContact O-N 2.76Å; Y292-K295 VanDerWaalsContact O-N 3.15Å
296P93.6Very high92.2Very high42 Ų4235.3 Ų35.327%0.27317%0.173SC..PPolyproline II helixtrans-67.5144.6174.728.9-34.2000111H294 R330 A331H294-P296 WeakPolarHBondContact O-CD 3.44Å; P296-R330 HydrophobicContact CB-CB 4.1Å; P296-R330 VanDerWaalsContact CB-O 3.31Å; P296-R330 WeakPolarHBondContact CB-O 3.33Å; P296-A331 HydrophobicContact CB-CB 4.04Å; P296-A331 HydrophobicContact CG-CB 3.7Å
297R94.4Very high92.8Very high7 Ų734.6 Ų34.63%0.02617%0.171CC..PPolyproline II helixtrans-68.2159166.6-66-171.7-168.3-88.7-6110.3L192 N194 D195 E202 L205 R232 R330L192-R297 VanDerWaalsContact O-CZ 3.3Å; L192-R297 PolarHBondContact O-NH1 2.69Å; L192-R297 PolarHBondContact O-NH2 3.2Å; N194-R297 PolarHBondContact O-NH1 2.75Å; D195-R297 WeakPolarHBondContact O-CB 3.39Å; E202-R297 IonicContact OE1-CZ 2.75Å; E202-R297 IonicContact OE1-NE 2.72Å; E202-R297 PolarHBondContact OE1-NE 2.67Å; E202-R297 IonicContact OE1-NH2 3.18Å; E202-R297 PolarHBondContact OE1-NH2 3.41Å; E202-R297 IonicContact OE2-NH2 3.7Å; E202-R297 PolarHBondContact OE2-NH2 3.24Å; L205-R297 VanDerWaalsContact CD1-NH2 3.28Å; R232-R297 HydrophobicContact CG-CG 4.32Å; R297-R330 WeakPolarHBondContact O-CB 3.29Å; R297-R330 WeakPolarHBondContact O-CG 3.48Å
298F93.1Very high93.3Very high64 Ų6430.2 Ų30.228%0.28115%0.15SC..PPolyproline II helixtrans-68.3131.2173.9-75.3-79.3000110.8D195 L196 I594 L598 I601D195-F298 HydrophobicContact CB-CD2 3.63Å; D195-F298 HydrophobicContact CB-CE2 3.79Å; D195-F298 PolarHBondContact O-N 3.37Å; L196-F298 HydrophobicContact CD2-CB 3.89Å; L196-F298 HydrophobicContact CD2-CD2 3.47Å; L196-F298 VanDerWaalsContact CD2-CD2 3.47Å; L196-F298 HydrophobicContact CD2-CE2 4.19Å; L196-F298 HydrophobicContact CD2-CG 3.78Å; L196-F298 HydrophobicContact CG-CD2 4.21Å; F298-I594 HydrophobicContact CB-CD1 3.69Å; F298-I594 HydrophobicContact CG-CD1 4.36Å; F298-L598 HydrophobicContact CD1-CD2 4.15Å; F298-L598 HydrophobicContact CE1-CD2 4.13Å; F298-L598 HydrophobicContact CZ-CD2 4.48Å; F298-I601 HydrophobicContact CB-CD1 4.36Å; F298-I601 HydrophobicContact CD1-CD1 3.56Å; F298-I601 HydrophobicContact CD1-CG1 3.8Å; F298-I601 HydrophobicContact CE1-CD1 4.37Å; F298-I601 HydrophobicContact CE1-CG1 4.16Å; F298-I601 HydrophobicContact CG-CD1 4.43Å
299P92.5Very high93.5Very high1 Ų126.6 Ų26.61%0.00613%0.13CC..PPolyproline II helixtrans-67.4142.5170.926.8-37.5000112T301 N328 R330 I594 I601P299-T301 VanDerWaalsContact C-N 3.34Å; P299-T301 WeakPolarHBondContact CB-O 3.38Å; P299-N328 VanDerWaalsContact CD-OD1 3.29Å; P299-N328 WeakPolarHBondContact CD-OD1 3.05Å; P299-N328 HydrophobicContact CG-CB 4.32Å; P299-N328 WeakPolarHBondContact CG-OD1 3.13Å; P299-R330 HydrophobicContact CB-CG 3.93Å; P299-I594 WeakPolarHBondContact O-CD1 3.09Å; P299-I601 HydrophobicContact CG-CB 4.4Å; P299-I601 HydrophobicContact CG-CD1 3.8Å; P299-I601 HydrophobicContact CG-CG2 3.9Å
300Y93.4Very high92.9Very high21 Ų2127.2 Ų27.28%0.08213%0.132CC..SBendtrans-87.7-10.4167.5-86.7-94.7000113.3I169 L196 N198 T592 G593 I594 L597I169-Y300 HydrophobicContact CB-CE1 4.34Å; I169-Y300 HydrophobicContact CG1-CE1 3.68Å; I169-Y300 HydrophobicContact CG2-CE1 4.43Å; L196-Y300 WeakPolarHBondContact O-CE2 3.46Å; L196-Y300 PolarHBondContact O-OH 3.18Å; N198-Y300 HydrophobicContact CB-CD2 3.62Å; N198-Y300 HydrophobicContact CB-CE1 4.48Å; N198-Y300 HydrophobicContact CB-CE2 3.46Å; N198-Y300 VanDerWaalsContact CB-CE2 3.46Å; N198-Y300 HydrophobicContact CB-CG 4.17Å; Y300-T592 CarbonylContact O-C 3.6Å; Y300-T592 WeakPolarHBondContact O-CA 3.49Å; Y300-G593 PolarHBondContact O-N 3.48Å; Y300-I594 HydrophobicContact CD1-CB 3.81Å; Y300-I594 HydrophobicContact CD1-CG2 4.12Å; Y300-I594 HydrophobicContact CE1-CB 3.45Å; Y300-I594 VanDerWaalsContact CE1-CB 3.45Å; Y300-I594 HydrophobicContact CE1-CG1 4.36Å; Y300-I594 HydrophobicContact CE1-CG2 3.36Å; Y300-I594 HydrophobicContact CE2-CB 4.47Å; Y300-I594 HydrophobicContact CG-CB 4.44Å; Y300-L597 VanDerWaalsContact C-CD1 3.46Å; Y300-L597 WeakPolarHBondContact O-CD1 3.48Å
301T94.3Very high91.7Very high24 Ų2426.4 Ų26.415%0.14713%0.13CC..EExtended strand (participates in β ladder)trans-141.3133.5-176.9-57.90000108.3P299 L541 T590 V591 T592P299-T301 VanDerWaalsContact C-N 3.34Å; P299-T301 WeakPolarHBondContact CB-O 3.38Å; T301-L541 HydrophobicContact CG2-CD1 4.1Å; T301-L541 HydrophobicContact CG2-CG 4.26Å; T301-T590 HydrophobicContact CG2-CG2 3.08Å; T301-V591 CarbonylContact C-O 3.58Å; T301-V591 VanDerWaalsContact CA-O 3.27Å; T301-V591 WeakPolarHBondContact CA-O 3.46Å; T301-T592 PolarHBondContact OG1-OG1 2.68Å
302A95.5Very high90.5Very high0 Ų024.9 Ų24.90%012%0.119CC..EExtended strand (participates in β ladder)trans-139.6151.7179.600000110.8F304 V326 Y327 T590 V591 L597A302-F304 HydrophobicContact CB-CE2 4.35Å; A302-V326 HydrophobicContact CB-CG1 3.96Å; A302-Y327 WeakPolarHBondContact CB-O 3.34Å; A302-T590 WeakPolarHBondContact O-CA 3.38Å; A302-V591 PolarHBondContact N-O 3.17Å; A302-V591 PolarHBondContact O-N 3.01Å; A302-L597 HydrophobicContact CB-CD1 3.92Å; A302-L597 HydrophobicContact CB-CD2 3.72Å; A302-L597 HydrophobicContact CB-CG 4.42Å
303I96.5Very high89.1Confident0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-95.3131176.4-58.6168.2000108.7V305 V326 Y327 T539 L541 Y546 I548 C588I303-V305 HydrophobicContact CG2-CG2 4.3Å; I303-V326 CarbonylContact O-C 3.55Å; I303-V326 VanDerWaalsContact O-CA 3.3Å; I303-V326 WeakPolarHBondContact O-CA 3.39Å; I303-Y327 HydrophobicContact CD1-CD1 4.13Å; I303-Y327 PolarHBondContact N-O 2.77Å; I303-Y327 PolarHBondContact O-N 3.33Å; I303-T539 HydrophobicContact CB-CG2 4.28Å; I303-T539 HydrophobicContact CD1-CG2 3.56Å; I303-T539 HydrophobicContact CG1-CG2 3.63Å; I303-T539 HydrophobicContact CG2-CG2 3.69Å; I303-L541 HydrophobicContact CD1-CB 4.01Å; I303-L541 HydrophobicContact CD1-CD1 4.08Å; I303-L541 HydrophobicContact CG1-CB 4.17Å; I303-L541 HydrophobicContact CG1-CD1 3.73Å; I303-Y546 HydrophobicContact CD1-CD1 3.99Å; I303-Y546 HydrophobicContact CD1-CD2 4.15Å; I303-Y546 HydrophobicContact CD1-CG 3.78Å; I303-I548 HydrophobicContact CD1-CD1 4.33Å; I303-I548 HydrophobicContact CG2-CD1 3.72Å; I303-C588 HydrophobicContact CG2-CB 4.38Å
304F95.5Very high87.7Confident1 Ų134.8 Ų34.80%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-105.3124.9171.4-75.7-116.7000108.3A302 I306 I324 V326 L339 I357 L377 C588 C589 V591 L597 F600A302-F304 HydrophobicContact CB-CE2 4.35Å; F304-I306 HydrophobicContact CB-CD1 4.4Å; F304-I306 HydrophobicContact CB-CG1 4.3Å; F304-I324 HydrophobicContact CD1-CG2 3.99Å; F304-V326 HydrophobicContact CD1-CG2 3.65Å; F304-V326 HydrophobicContact CD2-CG1 4.17Å; F304-V326 HydrophobicContact CD2-CG2 4.38Å; F304-V326 HydrophobicContact CE1-CG2 3.54Å; F304-V326 HydrophobicContact CE2-CG1 3.82Å; F304-V326 HydrophobicContact CE2-CG2 4.27Å; F304-V326 HydrophobicContact CG-CG2 4.07Å; F304-V326 HydrophobicContact CZ-CG1 4.02Å; F304-V326 HydrophobicContact CZ-CG2 3.87Å; F304-L339 HydrophobicContact CE1-CD2 4.42Å; F304-I357 HydrophobicContact CD1-CD1 4.12Å; F304-I357 HydrophobicContact CG-CD1 4.32Å; F304-L377 HydrophobicContact CE1-CD2 4.1Å; F304-L377 HydrophobicContact CZ-CD2 4.1Å; F304-C588 CarbonylContact O-C 3.56Å; F304-C588 WeakPolarHBondContact O-CA 3.37Å; F304-C588 WeakPolarHBondContact O-CB 3.45Å; F304-C589 PolarHBondContact N-O 3.3Å; F304-C589 PolarHBondContact O-N 3.08Å; F304-V591 HydrophobicContact CD2-CB 3.98Å; F304-V591 HydrophobicContact CD2-CG2 3.52Å; F304-V591 HydrophobicContact CE2-CB 3.76Å; F304-V591 HydrophobicContact CE2-CG1 4.39Å; F304-V591 HydrophobicContact CE2-CG2 3.65Å; F304-V591 HydrophobicContact CG-CG2 4.23Å; F304-V591 HydrophobicContact CZ-CG2 4.42Å; F304-L597 HydrophobicContact CE2-CD2 3.74Å; F304-L597 HydrophobicContact CZ-CD2 4.2Å; F304-F600 HydrophobicContact CE1-CD1 4.2Å; F304-F600 HydrophobicContact CE1-CD2 4.2Å; F304-F600 HydrophobicContact CE1-CE1 4.35Å; F304-F600 HydrophobicContact CE1-CE2 4.33Å; F304-F600 HydrophobicContact CE1-CG 4.1Å; F304-F600 HydrophobicContact CE1-CZ 4.36Å; F304-F600 HydrophobicContact CZ-CB 4.16Å; F304-F600 HydrophobicContact CZ-CD1 4.39Å; F304-F600 AromaticContact CZ-CD2 3.69Å; F304-F600 HydrophobicContact CZ-CD2 3.69Å; F304-F600 HydrophobicContact CZ-CE2 4.08Å; F304-F600 AromaticContact CZ-CG 3.83Å; F304-F600 HydrophobicContact CZ-CG 3.83Å
305V95.5Very high86.5Confident2 Ų238 Ų381%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-109.1124.2170.4178.90000107.4I303 I324 Q325 W334 I548 L579 C588I303-V305 HydrophobicContact CG2-CG2 4.3Å; V305-I324 CarbonylContact O-C 3.48Å; V305-I324 VanDerWaalsContact O-CA 3.29Å; V305-I324 WeakPolarHBondContact O-CA 3.42Å; V305-Q325 HydrophobicContact CB-CB 4.44Å; V305-Q325 PolarHBondContact N-O 3.39Å; V305-Q325 PolarHBondContact O-N 2.78Å; V305-W334 HydrophobicContact CB-CZ3 4.3Å; V305-W334 HydrophobicContact CG2-CH2 3.64Å; V305-W334 HydrophobicContact CG2-CZ3 3.62Å; V305-I548 HydrophobicContact CG2-CD1 4.13Å; V305-I548 HydrophobicContact CG2-CG2 3.73Å; V305-L579 HydrophobicContact CG2-CD2 4.37Å; V305-C588 HydrophobicContact CG2-CB 4.25Å
306I94.3Very high85.2Confident5 Ų538.3 Ų38.33%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-125.8125.2-165.2-52.1172.7000109.4F304 I324 L341 I357 I359 C587F304-I306 HydrophobicContact CB-CD1 4.4Å; F304-I306 HydrophobicContact CB-CG1 4.3Å; I306-I324 HydrophobicContact CB-CG1 4.26Å; I306-I324 HydrophobicContact CG1-CG1 4.21Å; I306-I324 HydrophobicContact CG1-CG2 4.1Å; I306-I324 HydrophobicContact CG2-CD1 3.96Å; I306-I324 HydrophobicContact CG2-CG1 3.79Å; I306-L341 HydrophobicContact CG2-CD1 4Å; I306-L341 HydrophobicContact CG2-CD2 3.85Å; I306-L341 HydrophobicContact CG2-CG 4.14Å; I306-I357 HydrophobicContact CD1-CD1 4.23Å; I306-I357 HydrophobicContact CD1-CG2 3.61Å; I306-I359 HydrophobicContact CB-CD1 4.4Å; I306-I359 HydrophobicContact CD1-CD1 3.95Å; I306-I359 HydrophobicContact CG2-CD1 3.85Å; I306-C587 PolarHBondContact N-O 3.31Å; I306-C587 PolarHBondContact O-N 2.99Å; I306-C587 PolarHBondContact O-SG 2.78Å
307G93.8Very high83.9Confident8 Ų844.7 Ų44.78%0.08222%0.218CC..  trans61.2-144179.700000112.1S321 V323 H345 S586G307-S321 WeakPolarHBondContact CA-O 3.42Å; G307-V323 PolarHBondContact N-O 3.4Å; G307-H345 CarbonylContact C-O 3.47Å; G307-H345 WeakPolarHBondContact CA-O 3.44Å; G307-S586 WeakPolarHBondContact O-CB 3.39Å; G307-S586 PolarHBondContact O-OG 2.77Å
308G93.9Very high82.8Confident1 Ų147 Ų471%0.0123%0.23CC..  trans113.6-174.3-172.900000112.2P320 S321 H345 S584 S586G308-P320 CarbonylContact O-C 3.55Å; G308-P320 WeakPolarHBondContact O-CA 3.06Å; G308-S321 WeakPolarHBondContact O-CB 3.29Å; G308-S321 PolarHBondContact O-N 2.99Å; G308-H345 PolarHBondContact N-O 2.91Å; G308-H345 VanDerWaalsContact O-O 3.11Å; G308-S584 CarbonylContact C-O 3.52Å; G308-S584 WeakPolarHBondContact CA-O 3.32Å; G308-S586 VanDerWaalsContact CA-OG 3.28Å; G308-S586 WeakPolarHBondContact CA-OG 2.92Å
309W90.9Very high82.5Confident65 Ų6545 Ų4525%0.24623%0.228CC..BIsolated β-bridgetrans-102.7126.9174.3-164.1-86.6000109.3L318 P320 A346 Y347 Y363 S584W309-L318 PolarHBondContact NE1-O 3.28Å; W309-P320 HydrophobicContact CE3-CG 4.25Å; W309-P320 HydrophobicContact CZ3-CG 3.96Å; W309-A346 HydrophobicContact CB-CB 4.44Å; W309-A346 HydrophobicContact CE3-CB 3.97Å; W309-Y347 HydrophobicContact CE3-CE2 4.34Å; W309-Y363 HydrophobicContact CH2-CE1 4.5Å; W309-Y363 AromaticContact CZ3-CD1 3.97Å; W309-Y363 HydrophobicContact CZ3-CD1 3.97Å; W309-Y363 HydrophobicContact CZ3-CE1 4.17Å; W309-S584 PolarHBondContact N-O 2.83Å
310E77.3Confident82.4Confident50 Ų5046 Ų4623%0.23424%0.235CC..  trans-98.73-176.7-88.9174-175.100114.4L318 G319 S321 V323 I581E310-L318 HydrophobicContact CB-CB 4.17Å; E310-L318 WeakPolarHBondContact O-CD1 3.16Å; E310-G319 PolarHBondContact N-O 2.81Å; E310-S321 VanDerWaalsContact CD-CB 3.4Å; E310-S321 VanDerWaalsContact OE1-CB 3.29Å; E310-S321 WeakPolarHBondContact OE1-CB 3.23Å; E310-S321 PolarHBondContact OE1-OG 3.06Å; E310-V323 WeakPolarHBondContact OE1-CG2 3.45Å; E310-I581 HydrophobicContact CG-CG2 3.94Å
311G66.2Low82.4Confident3 Ų345.1 Ų45.13%0.03123%0.232CC..  trans-88.9139.8179.600000115
312N66.1Low82.2Confident49 Ų4949.1 Ų49.126%0.26225%0.247SC..  trans-116.6-173.516269.59.9000109.6E314 Y315 S316N312-E314 PolarHBondContact O-N 3.05Å; N312-E314 WeakPolarHBondContact OD1-CA 3.37Å; N312-E314 WeakPolarHBondContact OD1-CB 3.19Å; N312-E314 PolarHBondContact OD1-N 2.98Å; N312-Y315 CarbonylContact O-C 3.39Å; N312-Y315 PolarHBondContact O-N 2.96Å; N312-Y315 VanDerWaalsContact OD1-CD2 3.31Å; N312-Y315 WeakPolarHBondContact OD1-CD2 3.5Å; N312-Y315 PolarHBondContact OD1-N 3.46Å; N312-S316 PolarHBondContact O-N 2.72Å
313V63.5Low82Confident102 Ų10250.5 Ų50.562%0.61826%0.255SS*.SBendtrans-60.3-33.9-179.7-164.90000112.1N556V313-N556 VanDerWaalsContact CG2-O 3.25Å; V313-N556 WeakPolarHBondContact CG2-O 3.36Å
314E64.5Low81.8Confident153 Ų15350.6 Ų50.672%0.71526%0.256SS*.SBendtrans-79.6-30.6-179.6-64.5-178.7164.200113.1N312N312-E314 PolarHBondContact O-N 3.05Å; N312-E314 WeakPolarHBondContact OD1-CA 3.37Å; N312-E314 WeakPolarHBondContact OD1-CB 3.19Å; N312-E314 PolarHBondContact OD1-N 2.98Å
315Y68.2Low81.7Confident110 Ų11050.9 Ų50.943%0.43126%0.257SS..  trans-122.352.9-176.4-56.4-74.9000111.6N312 Y317 L318N312-Y315 CarbonylContact O-C 3.39Å; N312-Y315 PolarHBondContact O-N 2.96Å; N312-Y315 VanDerWaalsContact OD1-CD2 3.31Å; N312-Y315 WeakPolarHBondContact OD1-CD2 3.5Å; N312-Y315 PolarHBondContact OD1-N 3.46Å; Y315-Y317 AromaticContact CD1-CE1 3.83Å; Y315-Y317 HydrophobicContact CD1-CE1 3.83Å; Y315-Y317 AromaticContact CD1-CZ 3.88Å; Y315-Y317 WeakPolarHBondContact CD1-OH 3.48Å; Y315-Y317 PolarHBondContact O-N 2.75Å; Y315-Y317 VanDerWaalsContact O-N 3.09Å; Y315-L318 HydrophobicContact CG-CD1 4.24Å; Y315-L318 WeakPolarHBondContact O-CB 3.28Å; Y315-L318 PolarHBondContact O-N 2.69Å
316S65.3Low81.6Confident96 Ų9651.1 Ų51.167%0.67126%0.259SS*.THydrogen-bonded Turntrans-62.1-17.6-176.761.70000114.6N312 L318N312-S316 PolarHBondContact O-N 2.72Å; S316-L318 VanDerWaalsContact C-N 3.26Å; S316-L318 PolarHBondContact O-N 3.27Å
317Y66.5Low81.7Confident176 Ų17651 Ų5169%0.6926%0.258SS*.THydrogen-bonded Turntrans-74.2-15174.764.3-96.4000113.3Y315 G319Y315-Y317 AromaticContact CD1-CE1 3.83Å; Y315-Y317 HydrophobicContact CD1-CE1 3.83Å; Y315-Y317 AromaticContact CD1-CZ 3.88Å; Y315-Y317 WeakPolarHBondContact CD1-OH 3.48Å; Y315-Y317 PolarHBondContact O-N 2.75Å; Y315-Y317 VanDerWaalsContact O-N 3.09Å; Y317-G319 PolarHBondContact O-N 2.86Å
318L73.1Confident81.7Confident55 Ų5551.1 Ų51.129%0.28826%0.257SS..  trans-74.2126.5174.7-65.4172.9000109.1W309 E310 Y315 S316W309-L318 PolarHBondContact NE1-O 3.28Å; E310-L318 HydrophobicContact CB-CB 4.17Å; E310-L318 WeakPolarHBondContact O-CD1 3.16Å; Y315-L318 HydrophobicContact CG-CD1 4.24Å; Y315-L318 WeakPolarHBondContact O-CB 3.28Å; Y315-L318 PolarHBondContact O-N 2.69Å; S316-L318 VanDerWaalsContact C-N 3.26Å; S316-L318 PolarHBondContact O-N 3.27Å
319G84.9Confident81.6Confident23 Ų2352.1 Ų52.124%0.23726%0.264CS..  trans-114-147.4-174.500000112.8E310 Y317 S321E310-G319 PolarHBondContact N-O 2.81Å; Y317-G319 PolarHBondContact O-N 2.86Å; G319-S321 PolarHBondContact O-N 3.37Å
320P92.4Very high81.6Confident21 Ų2151 Ų5114%0.13626%0.26CS..BIsolated β-bridgetrans-55.4130.1174.4-27.737.4000112.5G308 W309 G344 A346 Y363G308-P320 CarbonylContact O-C 3.55Å; G308-P320 WeakPolarHBondContact O-CA 3.06Å; W309-P320 HydrophobicContact CE3-CG 4.25Å; W309-P320 HydrophobicContact CZ3-CG 3.96Å; P320-G344 VanDerWaalsContact CB-C 3.43Å; P320-G344 WeakPolarHBondContact CB-O 3.48Å; P320-G344 WeakPolarHBondContact O-CA 2.86Å; P320-A346 HydrophobicContact CB-CB 4.29Å; P320-A346 HydrophobicContact CG-CB 4.42Å; P320-Y363 HydrophobicContact CG-CD1 3.85Å; P320-Y363 WeakPolarHBondContact CG-O 3.47Å
321S91.5Very high82.2Confident3 Ų350 Ų502%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-89145.6-174.2176.10000112.7G307 G308 E310 G319 V323 G344 H345G307-S321 WeakPolarHBondContact CA-O 3.42Å; G308-S321 WeakPolarHBondContact O-CB 3.29Å; G308-S321 PolarHBondContact O-N 2.99Å; E310-S321 VanDerWaalsContact CD-CB 3.4Å; E310-S321 VanDerWaalsContact OE1-CB 3.29Å; E310-S321 WeakPolarHBondContact OE1-CB 3.23Å; E310-S321 PolarHBondContact OE1-OG 3.06Å; G319-S321 PolarHBondContact O-N 3.37Å; S321-V323 VanDerWaalsContact OG-CB 3.32Å; S321-V323 WeakPolarHBondContact OG-CB 2.9Å; S321-V323 WeakPolarHBondContact OG-CG2 3.39Å; S321-V323 PolarHBondContact OG-N 3.05Å; S321-G344 VanDerWaalsContact C-CA 3.43Å; S321-G344 CarbonylContact O-C 3.56Å; S321-G344 WeakPolarHBondContact O-CA 3.18Å; S321-H345 PolarHBondContact O-N 3.23Å
322K90.7Very high83.5Confident108 Ų10853 Ų5347%0.4728%0.275SS..EExtended strand (participates in β ladder)trans-90.7-6.8169.9-66.8-179.2-175.8-168.80113.2T340 L341 N342K322-T340 CarbonylContact O-C 2.93Å; K322-T340 VanDerWaalsContact O-CA 3.28Å; K322-T340 WeakPolarHBondContact O-CA 3.39Å; K322-T340 WeakPolarHBondContact O-CB 3.35Å; K322-L341 HydrophobicContact CB-CB 4.33Å; K322-L341 WeakPolarHBondContact CD-O 3.41Å; K322-L341 PolarHBondContact O-N 2.85Å; K322-N342 WeakPolarHBondContact CE-O 3.08Å; K322-N342 PolarHBondContact NZ-O 3.35Å
323V91Very high84.8Confident29 Ų2952.9 Ų52.918%0.17628%0.278CS..EExtended strand (participates in β ladder)trans-72.3142.4-166.4177.20000110.6G307 E310 S321 Q325 R336 I581G307-V323 PolarHBondContact N-O 3.4Å; E310-V323 WeakPolarHBondContact OE1-CG2 3.45Å; S321-V323 VanDerWaalsContact OG-CB 3.32Å; S321-V323 WeakPolarHBondContact OG-CB 2.9Å; S321-V323 WeakPolarHBondContact OG-CG2 3.39Å; S321-V323 PolarHBondContact OG-N 3.05Å; V323-Q325 HydrophobicContact CG1-CG 3.64Å; V323-R336 HydrophobicContact CG1-CB 4.49Å; V323-I581 HydrophobicContact CG1-CD1 4.47Å; V323-I581 HydrophobicContact CG2-CD1 4.15Å
324I92Very high86.3Confident2 Ų248.7 Ų48.71%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-121.9122.9165.2-61.5172000107.9F304 V305 I306 V326 L339 L341 W382F304-I324 HydrophobicContact CD1-CG2 3.99Å; V305-I324 CarbonylContact O-C 3.48Å; V305-I324 VanDerWaalsContact O-CA 3.29Å; V305-I324 WeakPolarHBondContact O-CA 3.42Å; I306-I324 HydrophobicContact CB-CG1 4.26Å; I306-I324 HydrophobicContact CG1-CG1 4.21Å; I306-I324 HydrophobicContact CG1-CG2 4.1Å; I306-I324 HydrophobicContact CG2-CD1 3.96Å; I306-I324 HydrophobicContact CG2-CG1 3.79Å; I324-V326 HydrophobicContact CG2-CG2 4.33Å; I324-L339 HydrophobicContact CB-CB 4.42Å; I324-L339 HydrophobicContact CB-CD2 4.28Å; I324-L339 HydrophobicContact CB-CG 4.45Å; I324-L339 HydrophobicContact CD1-CD2 3.58Å; I324-L339 HydrophobicContact CD1-CG 3.76Å; I324-L339 HydrophobicContact CG2-CD2 4.01Å; I324-L341 HydrophobicContact CD1-CD2 4.16Å; I324-L341 HydrophobicContact CD1-CG 4.23Å; I324-L341 HydrophobicContact CG1-CG 4.43Å; I324-W382 HydrophobicContact CD1-CH2 4.39Å; I324-W382 HydrophobicContact CD1-CZ2 3.7Å
325Q93.3Very high87.5Confident7 Ų744.6 Ų44.63%0.03323%0.229CC..EExtended strand (participates in β ladder)trans-109.3127.6178.3-53-172.270.100108.9V305 V323 W334 R335 L579 I581V305-Q325 HydrophobicContact CB-CB 4.44Å; V305-Q325 PolarHBondContact N-O 3.39Å; V305-Q325 PolarHBondContact O-N 2.78Å; V323-Q325 HydrophobicContact CG1-CG 3.64Å; Q325-W334 HydrophobicContact CB-CE3 3.68Å; Q325-W334 HydrophobicContact CB-CZ3 4.05Å; Q325-R335 CarbonylContact C-O 3.46Å; Q325-R335 WeakPolarHBondContact CA-O 3.25Å; Q325-L579 HydrophobicContact CB-CD2 4.37Å; Q325-I581 PolarHBondContact NE2-O 3.08Å
326V95.1Very high88.2Confident8 Ų845 Ų455%0.04823%0.23CC..EExtended strand (participates in β ladder)trans-112.6122.4-179.3-174.90000109.6A302 I303 F304 I324 W334 R335 F600A302-V326 HydrophobicContact CB-CG1 3.96Å; I303-V326 CarbonylContact O-C 3.55Å; I303-V326 VanDerWaalsContact O-CA 3.3Å; I303-V326 WeakPolarHBondContact O-CA 3.39Å; F304-V326 HydrophobicContact CD1-CG2 3.65Å; F304-V326 HydrophobicContact CD2-CG1 4.17Å; F304-V326 HydrophobicContact CD2-CG2 4.38Å; F304-V326 HydrophobicContact CE1-CG2 3.54Å; F304-V326 HydrophobicContact CE2-CG1 3.82Å; F304-V326 HydrophobicContact CE2-CG2 4.27Å; F304-V326 HydrophobicContact CG-CG2 4.07Å; F304-V326 HydrophobicContact CZ-CG1 4.02Å; F304-V326 HydrophobicContact CZ-CG2 3.87Å; I324-V326 HydrophobicContact CG2-CG2 4.33Å; V326-W334 CarbonylContact O-C 3.6Å; V326-W334 WeakPolarHBondContact O-CA 3.47Å; V326-R335 PolarHBondContact N-O 3Å; V326-R335 PolarHBondContact O-N 2.89Å; V326-F600 HydrophobicContact CB-CB 4.46Å; V326-F600 HydrophobicContact CG1-CB 4.15Å; V326-F600 HydrophobicContact CG2-CB 4.2Å
327Y96Very high88.5Confident2 Ų246.3 Ų46.31%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-92.4128.4179.4-177.4-116.8000111.8A302 I303 D332 S333 W334 Y546 V576 R577A302-Y327 WeakPolarHBondContact CB-O 3.34Å; I303-Y327 HydrophobicContact CD1-CD1 4.13Å; I303-Y327 PolarHBondContact N-O 2.77Å; I303-Y327 PolarHBondContact O-N 3.33Å; Y327-D332 WeakPolarHBondContact CE2-OD1 3.36Å; Y327-D332 PolarHBondContact OH-OD1 3.26Å; Y327-S333 WeakPolarHBondContact CA-O 3.48Å; Y327-S333 WeakPolarHBondContact CD2-O 3.47Å; Y327-W334 AromaticContact CD2-CD2 3.91Å; Y327-W334 HydrophobicContact CD2-CD2 3.91Å; Y327-W334 AromaticContact CD2-CE2 3.52Å; Y327-W334 HydrophobicContact CD2-CG 4.23Å; Y327-W334 AromaticContact CD2-CZ2 3.86Å; Y327-W334 HydrophobicContact CD2-CZ2 3.86Å; Y327-W334 AromaticContact CD2-NE1 3.61Å; Y327-W334 HydrophobicContact CG-CD2 4.36Å; Y327-W334 HydrophobicContact CG-CH2 4.24Å; Y327-W334 AromaticContact CG-CZ2 3.95Å; Y327-W334 HydrophobicContact CG-CZ2 3.95Å; Y327-Y546 AromaticContact CE1-CE1 3.84Å; Y327-Y546 HydrophobicContact CE1-CE1 3.84Å; Y327-V576 HydrophobicContact CE1-CG1 4.31Å; Y327-V576 HydrophobicContact CE2-CG1 3.83Å; Y327-V576 WeakPolarHBondContact OH-CG1 3.34Å; Y327-R577 HydrophobicContact CE2-CB 4.45Å
328N93.6Very high88.7Confident11 Ų1143.5 Ų43.56%0.05922%0.221CC..EExtended strand (participates in β ladder)trans-102.8103.8172.1178.7-15.5000109.6P299 R330 A331 D332 S333 I601P299-N328 VanDerWaalsContact CD-OD1 3.29Å; P299-N328 WeakPolarHBondContact CD-OD1 3.05Å; P299-N328 HydrophobicContact CG-CB 4.32Å; P299-N328 WeakPolarHBondContact CG-OD1 3.13Å; N328-R330 PolarHBondContact O-N 3.19Å; N328-R330 WeakPolarHBondContact OD1-CA 3.45Å; N328-R330 WeakPolarHBondContact OD1-CB 3.35Å; N328-R330 PolarHBondContact OD1-N 2.91Å; N328-A331 HydrophobicContact CB-CB 4.23Å; N328-A331 PolarHBondContact O-N 2.98Å; N328-A331 PolarHBondContact OD1-N 3.22Å; N328-A331 VanDerWaalsContact OD1-N 3.15Å; N328-D332 WeakPolarHBondContact O-CA 3.34Å; N328-D332 PolarHBondContact O-N 2.94Å; N328-S333 PolarHBondContact N-O 2.88Å; N328-S333 PolarHBondContact O-N 3.15Å; N328-I601 HydrophobicContact CB-CG2 4.37Å
329S91.6Very high89Confident22 Ų2241.7 Ų41.715%0.15421%0.211CC..THydrogen-bonded Turntrans-63.7-22.7-179.866.10000114L541 D542S329-L541 VanDerWaalsContact CB-CD2 3.49Å; S329-D542 PolarHBondContact OG-OD2 3.24Å
330R91Very high89Confident42 Ų4244.7 Ų44.716%0.15823%0.225CC..THydrogen-bonded Turntrans-78.7-34179.8-57.4-59.3176.6146.5-4.1112.4C199 L200 R235 P296 R297 P299 N328C199-R330 PolarHBondContact O-NH1 3.34Å; C199-R330 PolarHBondContact O-NH2 3.43Å; L200-R330 PolarHBondContact O-NH1 3.26Å; L200-R330 PolarHBondContact O-NH2 2.89Å; R235-R330 PolarHBondContact NE-O 3.23Å; R235-R330 PolarHBondContact NH2-O 2.78Å; P296-R330 HydrophobicContact CB-CB 4.1Å; P296-R330 VanDerWaalsContact CB-O 3.31Å; P296-R330 WeakPolarHBondContact CB-O 3.33Å; R297-R330 WeakPolarHBondContact O-CB 3.29Å; R297-R330 WeakPolarHBondContact O-CG 3.48Å; P299-R330 HydrophobicContact CB-CG 3.93Å; N328-R330 PolarHBondContact O-N 3.19Å; N328-R330 WeakPolarHBondContact OD1-CA 3.45Å; N328-R330 WeakPolarHBondContact OD1-CB 3.35Å; N328-R330 PolarHBondContact OD1-N 2.91Å
331A91Very high88.5Confident29 Ų2943.8 Ų43.824%0.2422%0.219CC..THydrogen-bonded Turntrans-93.9-14.4177.400000113P296 N328 S333P296-A331 HydrophobicContact CB-CB 4.04Å; P296-A331 HydrophobicContact CG-CB 3.7Å; N328-A331 HydrophobicContact CB-CB 4.23Å; N328-A331 PolarHBondContact O-N 2.98Å; N328-A331 PolarHBondContact OD1-N 3.22Å; N328-A331 VanDerWaalsContact OD1-N 3.15Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 WeakPolarHBondContact CB-OG 3.16Å
332D92.6Very high88Confident64 Ų6447.1 Ų47.134%0.34224%0.236SC..THydrogen-bonded Turntrans49.653.5-165.9-169.433.6000111.7Y327 N328 R577Y327-D332 WeakPolarHBondContact CE2-OD1 3.36Å; Y327-D332 PolarHBondContact OH-OD1 3.26Å; N328-D332 WeakPolarHBondContact O-CA 3.34Å; N328-D332 PolarHBondContact O-N 2.94Å; D332-R577 VanDerWaalsContact O-CB 3.32Å; D332-R577 WeakPolarHBondContact O-CB 3.48Å; D332-R577 WeakPolarHBondContact O-CG 3.42Å; D332-R577 VanDerWaalsContact OD1-CB 3.26Å; D332-R577 WeakPolarHBondContact OD1-CB 3.48Å; D332-R577 PolarHBondContact OD1-N 3.16Å
333S93.8Very high87.8Confident47 Ų4744.6 Ų44.633%0.32923%0.23SC..EExtended strand (participates in β ladder)trans-142.4153.3-174.270.90000112.9Y327 N328 A331Y327-S333 WeakPolarHBondContact CA-O 3.48Å; Y327-S333 WeakPolarHBondContact CD2-O 3.47Å; N328-S333 PolarHBondContact N-O 2.88Å; N328-S333 PolarHBondContact O-N 3.15Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 WeakPolarHBondContact CB-OG 3.16Å
334W93.6Very high87.8Confident15 Ų1543.3 Ų43.36%0.05722%0.223CC..EExtended strand (participates in β ladder)trans-106.7144.5175.2-67.593.9000110.9V305 Q325 V326 Y327 I548 V562 R577 E578 L579 H580V305-W334 HydrophobicContact CB-CZ3 4.3Å; V305-W334 HydrophobicContact CG2-CH2 3.64Å; V305-W334 HydrophobicContact CG2-CZ3 3.62Å; Q325-W334 HydrophobicContact CB-CE3 3.68Å; Q325-W334 HydrophobicContact CB-CZ3 4.05Å; V326-W334 CarbonylContact O-C 3.6Å; V326-W334 WeakPolarHBondContact O-CA 3.47Å; Y327-W334 AromaticContact CD2-CD2 3.91Å; Y327-W334 HydrophobicContact CD2-CD2 3.91Å; Y327-W334 AromaticContact CD2-CE2 3.52Å; Y327-W334 HydrophobicContact CD2-CG 4.23Å; Y327-W334 AromaticContact CD2-CZ2 3.86Å; Y327-W334 HydrophobicContact CD2-CZ2 3.86Å; Y327-W334 AromaticContact CD2-NE1 3.61Å; Y327-W334 HydrophobicContact CG-CD2 4.36Å; Y327-W334 HydrophobicContact CG-CH2 4.24Å; Y327-W334 AromaticContact CG-CZ2 3.95Å; Y327-W334 HydrophobicContact CG-CZ2 3.95Å; W334-I548 HydrophobicContact CH2-CD1 4.32Å; W334-I548 HydrophobicContact CH2-CG1 4.47Å; W334-I548 HydrophobicContact CH2-CG2 4.12Å; W334-I548 HydrophobicContact CZ2-CG2 4.4Å; W334-V562 HydrophobicContact CZ2-CG1 4.46Å; W334-V562 HydrophobicContact CZ2-CG2 3.89Å; W334-R577 PolarHBondContact NE1-O 2.91Å; W334-E578 PolarHBondContact NE1-O 3.49Å; W334-L579 HydrophobicContact CD2-CD2 3.86Å; W334-L579 HydrophobicContact CE3-CD2 3.82Å; W334-L579 HydrophobicContact CH2-CD2 3.56Å; W334-L579 HydrophobicContact CZ2-CD2 3.61Å; W334-L579 HydrophobicContact CZ2-CG 4.45Å; W334-L579 HydrophobicContact CZ3-CD2 3.66Å; W334-H580 PolarHBondContact O-NE2 2.99Å
335R91.4Very high87.8Confident67 Ų6743.3 Ų43.325%0.25322%0.223SC..EExtended strand (participates in β ladder)trans-125.4145.5171.5-161-160.8-173156.621111.1Q325 V326 K338 N599 F600 I601Q325-R335 CarbonylContact C-O 3.46Å; Q325-R335 WeakPolarHBondContact CA-O 3.25Å; V326-R335 PolarHBondContact N-O 3Å; V326-R335 PolarHBondContact O-N 2.89Å; R335-K338 VanDerWaalsContact CZ-CE 3.49Å; R335-K338 VanDerWaalsContact NH2-NZ 3.18Å; R335-N599 PolarHBondContact NH1-O 3.36Å; R335-F600 WeakPolarHBondContact CD-O 3.38Å; R335-F600 VanDerWaalsContact NH1-C 3.29Å; R335-F600 PolarHBondContact NH1-O 3.38Å; R335-I601 PolarHBondContact NH1-O 3.33Å
336R82.9Confident87.9Confident118 Ų11843 Ų4345%0.44522%0.222SC..  trans-131.8-14.3-179.368.3-178.9-176.8177.6-0.7116.2V323 K338V323-R336 HydrophobicContact CG1-CB 4.49Å; R336-K338 VanDerWaalsContact C-N 3.32Å; R336-K338 PolarHBondContact O-N 2.94Å
337D70.3Confident88Confident124 Ų12444.8 Ų44.866%0.66323%0.227SC*.THydrogen-bonded Turntrans-79.1-9.9-155.5-38.4-49.7000115.4
338K72Confident88Confident117 Ų11745.3 Ų45.351%0.50923%0.231SC..THydrogen-bonded Turntrans-110.5-13.2-169-75.1-176.7172.7174.30115.2R335 R336 N599R335-K338 VanDerWaalsContact CZ-CE 3.49Å; R335-K338 VanDerWaalsContact NH2-NZ 3.18Å; R336-K338 VanDerWaalsContact C-N 3.32Å; R336-K338 PolarHBondContact O-N 2.94Å; K338-N599 WeakPolarHBondContact CD-O 3.28Å; K338-N599 PolarHBondContact NZ-O 2.9Å
339L78.4Confident88.1Confident17 Ų1745 Ų459%0.08923%0.231CC..  trans-142.3124.1-171.2-165.470.6000111.9F304 I324 F375 F600F304-L339 HydrophobicContact CE1-CD2 4.42Å; I324-L339 HydrophobicContact CB-CB 4.42Å; I324-L339 HydrophobicContact CB-CD2 4.28Å; I324-L339 HydrophobicContact CB-CG 4.45Å; I324-L339 HydrophobicContact CD1-CD2 3.58Å; I324-L339 HydrophobicContact CD1-CG 3.76Å; I324-L339 HydrophobicContact CG2-CD2 4.01Å; L339-F375 HydrophobicContact CD1-CD2 4.36Å; L339-F375 HydrophobicContact CD1-CE1 3.85Å; L339-F375 HydrophobicContact CD1-CE2 3.44Å; L339-F375 VanDerWaalsContact CD1-CE2 3.44Å; L339-F375 HydrophobicContact CD1-CZ 3.14Å; L339-F375 HydrophobicContact CD2-CD1 4.06Å; L339-F375 HydrophobicContact CD2-CE1 3.43Å; L339-F375 VanDerWaalsContact CD2-CE1 3.43Å; L339-F375 HydrophobicContact CD2-CE2 4.44Å; L339-F375 HydrophobicContact CD2-CZ 3.7Å; L339-F375 HydrophobicContact CG-CE1 4.29Å; L339-F375 HydrophobicContact CG-CZ 4.05Å; L339-F600 HydrophobicContact CB-CD1 4.47Å; L339-F600 HydrophobicContact CB-CE1 4.14Å; L339-F600 HydrophobicContact CD1-CE1 4.26Å; L339-F600 HydrophobicContact CD2-CD1 4.48Å; L339-F600 HydrophobicContact CD2-CE1 3.77Å; L339-F600 HydrophobicContact CD2-CZ 4.38Å; L339-F600 HydrophobicContact CG-CE1 4.26Å
340T84.1Confident88.3Confident85 Ų8545 Ų4552%0.52123%0.231SC..EExtended strand (participates in β ladder)trans-135.8155.9174.156.50000110.5K322 W382K322-T340 CarbonylContact O-C 2.93Å; K322-T340 VanDerWaalsContact O-CA 3.28Å; K322-T340 WeakPolarHBondContact O-CA 3.39Å; K322-T340 WeakPolarHBondContact O-CB 3.35Å; T340-W382 PolarHBondContact O-NE1 3.31Å; T340-W382 VanDerWaalsContact O-NE1 3.15Å
341L82.2Confident88.5Confident2 Ų243.3 Ų43.31%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-72.3150167.4-60.3169.7000110I306 K322 I324 V343 H345 W382I306-L341 HydrophobicContact CG2-CD1 4Å; I306-L341 HydrophobicContact CG2-CD2 3.85Å; I306-L341 HydrophobicContact CG2-CG 4.14Å; K322-L341 HydrophobicContact CB-CB 4.33Å; K322-L341 WeakPolarHBondContact CD-O 3.41Å; K322-L341 PolarHBondContact O-N 2.85Å; I324-L341 HydrophobicContact CD1-CD2 4.16Å; I324-L341 HydrophobicContact CD1-CG 4.23Å; I324-L341 HydrophobicContact CG1-CG 4.43Å; L341-V343 VanDerWaalsContact C-N 3.32Å; L341-V343 WeakPolarHBondContact CB-O 2.99Å; L341-V343 PolarHBondContact O-N 3.25Å; L341-H345 HydrophobicContact CD1-CB 4.04Å; L341-W382 HydrophobicContact CD2-CH2 3.2Å; L341-W382 HydrophobicContact CD2-CZ2 3.39Å; L341-W382 HydrophobicContact CD2-CZ3 3.85Å; L341-W382 HydrophobicContact CG-CZ2 4.49Å
342N82.6Confident88.8Confident73 Ų7344.4 Ų44.439%0.3923%0.227SC..EExtended strand (participates in β ladder)trans-64-38.5172.760.7-20.8000112.6K322 K373K322-N342 WeakPolarHBondContact CE-O 3.08Å; K322-N342 PolarHBondContact NZ-O 3.35Å; N342-K373 PolarHBondContact OD1-NZ 2.91Å
343V86.5Confident88.8Confident55 Ų5542.3 Ų42.333%0.33322%0.215SC..EExtended strand (participates in β ladder)trans-129.2145.1178.5-178.30000107.7L341 H345 V364L341-V343 VanDerWaalsContact C-N 3.32Å; L341-V343 WeakPolarHBondContact CB-O 2.99Å; L341-V343 PolarHBondContact O-N 3.25Å; V343-H345 PolarHBondContact O-CD2 3.01Å; V343-V364 HydrophobicContact CG1-CB 4.18Å; V343-V364 HydrophobicContact CG1-CG1 4.24Å
344G89.3Confident88.7Confident2 Ų247.8 Ų47.82%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-68.3140.3177.500000111.4P320 S321 V364P320-G344 VanDerWaalsContact CB-C 3.43Å; P320-G344 WeakPolarHBondContact CB-O 3.48Å; P320-G344 WeakPolarHBondContact O-CA 2.86Å; S321-G344 VanDerWaalsContact C-CA 3.43Å; S321-G344 CarbonylContact O-C 3.56Å; S321-G344 WeakPolarHBondContact O-CA 3.18Å; G344-V364 WeakPolarHBondContact O-CG1 3.46Å
345H92.9Very high88.7Confident3 Ų348.1 Ų48.11%0.01424%0.236CC..EExtended strand (participates in β ladder)trans-132.1141.2-179.5-88.8-102.7000110.5G307 G308 S321 L341 V343 S348 G361 Y363 V364 K373G307-H345 CarbonylContact C-O 3.47Å; G307-H345 WeakPolarHBondContact CA-O 3.44Å; G308-H345 PolarHBondContact N-O 2.91Å; G308-H345 VanDerWaalsContact O-O 3.11Å; S321-H345 PolarHBondContact O-N 3.23Å; L341-H345 HydrophobicContact CD1-CB 4.04Å; V343-H345 PolarHBondContact O-CD2 3.01Å; H345-S348 PolarHBondContact ND1-OG 2.82Å; H345-G361 PolarHBondContact CE1-O 2.91Å; H345-G361 VanDerWaalsContact CE1-O 3.28Å; H345-G361 PolarHBondContact ND1-O 2.76Å; H345-G361 VanDerWaalsContact ND1-O 3.09Å; H345-Y363 WeakPolarHBondContact CA-O 3.44Å; H345-V364 WeakPolarHBondContact CE1-CG1 3.49Å; H345-V364 WeakPolarHBondContact NE2-CG1 3.31Å; H345-K373 WeakPolarHBondContact NE2-CE 3.34Å; H345-K373 PolarHBondContact NE2-NZ 3.15Å
346A95.4Very high88.8Confident1 Ų147.4 Ų47.41%0.00824%0.236CC..BIsolated β-bridgetrans-134163.7166.700000109.2W309 P320 S348 G362 Y363 A585W309-A346 HydrophobicContact CB-CB 4.44Å; W309-A346 HydrophobicContact CE3-CB 3.97Å; P320-A346 HydrophobicContact CB-CB 4.29Å; P320-A346 HydrophobicContact CG-CB 4.42Å; A346-S348 PolarHBondContact O-N 3.09Å; A346-S348 PolarHBondContact O-OG 2.98Å; A346-G362 CarbonylContact O-C 3.4Å; A346-G362 VanDerWaalsContact O-CA 3.28Å; A346-G362 WeakPolarHBondContact O-CA 3.48Å; A346-Y363 PolarHBondContact N-O 2.87Å; A346-Y363 PolarHBondContact O-N 2.83Å; A346-A585 CarbonylContact C-O 3.55Å; A346-A585 HydrophobicContact CB-CB 4.15Å
347Y96.8Very high89.4Confident44 Ų4441.8 Ų41.817%0.17322%0.215CC..SBendtrans51.230.3175.4-55.5-74.8000114W309 G362 Y394 N535 A585W309-Y347 HydrophobicContact CE3-CE2 4.34Å; Y347-G362 WeakPolarHBondContact O-CA 3.31Å; Y347-Y394 AromaticContact CD1-CD1 3.17Å; Y347-Y394 HydrophobicContact CD1-CD1 3.17Å; Y347-Y394 AromaticContact CD1-CE1 3.31Å; Y347-Y394 HydrophobicContact CD1-CE1 3.31Å; Y347-Y394 HydrophobicContact CD1-CG 4.31Å; Y347-Y394 HydrophobicContact CD2-CD1 4.28Å; Y347-Y394 AromaticContact CD2-CE1 3.9Å; Y347-Y394 HydrophobicContact CD2-CE1 3.9Å; Y347-Y394 AromaticContact CE1-CD1 3.57Å; Y347-Y394 HydrophobicContact CE1-CD1 3.57Å; Y347-Y394 AromaticContact CE1-CE1 3.23Å; Y347-Y394 HydrophobicContact CE1-CE1 3.23Å; Y347-Y394 AromaticContact CE2-CE1 3.83Å; Y347-Y394 HydrophobicContact CE2-CE1 3.83Å; Y347-Y394 AromaticContact CG-CD1 3.57Å; Y347-Y394 HydrophobicContact CG-CD1 3.57Å; Y347-Y394 AromaticContact CG-CE1 3.64Å; Y347-Y394 HydrophobicContact CG-CE1 3.64Å; Y347-Y394 HydrophobicContact CG-CG 4.44Å; Y347-Y394 AromaticContact CZ-CE1 3.5Å; Y347-Y394 VanDerWaalsContact CZ-CE1 3.5Å; Y347-Y394 PolarHBondContact O-N 3.31Å; Y347-N535 HydrophobicContact CE1-CB 4.5Å; Y347-A585 HydrophobicContact CD1-CB 3.31Å; Y347-A585 HydrophobicContact CD2-CB 3.86Å; Y347-A585 HydrophobicContact CE1-CB 3.27Å; Y347-A585 HydrophobicContact CE2-CB 3.83Å; Y347-A585 HydrophobicContact CG-CB 3.62Å; Y347-A585 PolarHBondContact N-O 2.99Å
348S96.8Very high90.6Very high13 Ų1336.2 Ų36.29%0.09119%0.185CC..  trans-91.7149-179.5-53.10000109.3H345 A346 G361 G362 C587H345-S348 PolarHBondContact ND1-OG 2.82Å; A346-S348 PolarHBondContact O-N 3.09Å; A346-S348 PolarHBondContact O-OG 2.98Å; S348-G361 PolarHBondContact OG-O 2.87Å; S348-G362 WeakPolarHBondContact OG-CA 3.49Å; S348-C587 WeakPolarHBondContact O-CB 3.06Å
349G96Very high91.8Very high5 Ų530.7 Ų30.75%0.05216%0.161CC..EExtended strand (participates in β ladder)trans-77152.1164.400000110.6I359 I360G349-I359 WeakPolarHBondContact O-CA 3.38Å; G349-I360 PolarHBondContact N-O 2.96Å; G349-I360 WeakPolarHBondContact O-CD1 3.28Å; G349-I360 PolarHBondContact O-N 3.21Å
350C94.6Very high92.7Very high22 Ų2229.9 Ų29.915%0.14916%0.156CC..EExtended strand (participates in β ladder)trans-134.8148.9165.476.40000113.2Y358 I359 C587 C588C350-Y358 WeakPolarHBondContact CA-O 3.24Å; C350-Y358 WeakPolarHBondContact CB-O 3.49Å; C350-I359 HydrophobicContact CB-CD1 3.93Å; C350-C587 HydrophobicContact CB-CB 3.66Å; C350-C587 VanDerWaalsContact CB-SG 3.55Å; C350-C587 VanDerWaalsContact SG-CB 3.52Å; C350-C588 VanDerWaalsContact SG-C 3.5Å; C350-C588 PolarHBondContact SG-N 2.85Å; C350-C588 VanDerWaalsContact SG-N 3.43Å; C350-C588 PolarHBondContact SG-O 3.05Å
351V96.4Very high93.3Very high7 Ų725.9 Ų25.94%0.04213%0.132CC..EExtended strand (participates in β ladder)trans-140.7129.9177172.20000108.9Y358 I360 A397 I404V351-Y358 PolarHBondContact N-O 2.92Å; V351-Y358 PolarHBondContact O-N 2.76Å; V351-I360 HydrophobicContact CB-CD1 4.38Å; V351-I360 HydrophobicContact CG2-CD1 4.15Å; V351-A397 HydrophobicContact CG2-CB 4.13Å; V351-I404 HydrophobicContact CG1-CG1 4.27Å; V351-I404 HydrophobicContact CG2-CG2 4.12Å
352L95.5Very high94Very high51 Ų5125.8 Ų25.827%0.26713%0.131SC..EExtended strand (participates in β ladder)trans-89.4118.9166.2177.567.8000108.9I357 L377 C589 T590 V591L352-I357 HydrophobicContact CD1-CG1 3.89Å; L352-L377 HydrophobicContact CD1-CD1 4.25Å; L352-C589 HydrophobicContact CB-CB 4.02Å; L352-T590 WeakPolarHBondContact CD2-O 3.44Å; L352-V591 HydrophobicContact CD1-CG2 4.31Å; L352-V591 HydrophobicContact CD2-CG2 4.21Å
353H93.9Very high94.7Very high21 Ų2125.9 Ų25.910%0.09713%0.127CC..EExtended strand (participates in β ladder)trans-123.1114.6171-177.190.8000109.3T355 Q356 Y358 N402 I424H353-T355 PolarHBondContact O-N 2.91Å; H353-Q356 PolarHBondContact N-O 3.35Å; H353-Q356 WeakPolarHBondContact O-CB 3.31Å; H353-Q356 PolarHBondContact O-N 3.19Å; H353-Y358 HydrophobicContact CB-CD2 4.27Å; H353-Y358 HydrophobicContact CB-CE2 3.95Å; H353-N402 PolarHBondContact CE1-OD1 3.17Å; H353-N402 PolarHBondContact NE2-OD1 3.02Å; H353-I424 HydrophobicContact CB-CD1 4.34Å
354K91.4Very high95Very high161 Ų16123.7 Ų23.770%0.711%0.113SC*.THydrogen-bonded Turntrans56.5-106.5-174.6-60.2168.3-178.4159.70111.4
355T92.7Very high95.1Very high22 Ų2228.2 Ų28.214%0.13514%0.142CC..THydrogen-bonded Turntrans-111.214-178.161.10000112.1H353 E376 L377 R378 L596H353-T355 PolarHBondContact O-N 2.91Å; T355-E376 WeakPolarHBondContact CB-OE1 3.45Å; T355-E376 PolarHBondContact OG1-OE1 3.17Å; T355-L377 VanDerWaalsContact O-CB 3.3Å; T355-L377 WeakPolarHBondContact O-CB 3.42Å; T355-L377 WeakPolarHBondContact O-CD1 3.35Å; T355-L377 WeakPolarHBondContact O-CG 3.32Å; T355-L377 PolarHBondContact O-N 2.99Å; T355-R378 HydrophobicContact CG2-CG 4.42Å; T355-L596 HydrophobicContact CG2-CD1 3.92Å; T355-L596 HydrophobicContact CG2-CD2 4.02Å
356Q94.4Very high95.1Very high52 Ų5233.4 Ų33.424%0.24318%0.179CC..EExtended strand (participates in β ladder)trans-122.7128.2-170.6-72.6177.7-14.600110.8H353 Y358 V374 F375 E376H353-Q356 PolarHBondContact N-O 3.35Å; H353-Q356 WeakPolarHBondContact O-CB 3.31Å; H353-Q356 PolarHBondContact O-N 3.19Å; Q356-Y358 HydrophobicContact CB-CD2 4.26Å; Q356-Y358 HydrophobicContact CB-CE2 3.62Å; Q356-Y358 PolarHBondContact OE1-OH 3.09Å; Q356-V374 HydrophobicContact CB-CG2 3.62Å; Q356-V374 HydrophobicContact CG-CG2 3.98Å; Q356-F375 VanDerWaalsContact CA-O 3.32Å; Q356-F375 WeakPolarHBondContact CA-O 3.48Å; Q356-E376 WeakPolarHBondContact CG-OE2 3.28Å; Q356-E376 PolarHBondContact NE2-OE2 3.21Å
357I95.2Very high95Very high1 Ų133.6 Ų33.61%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-98.5117.3173.5-55.1171000107.9F304 I306 L352 I359 V374 F375 L377 V591F304-I357 HydrophobicContact CD1-CD1 4.12Å; F304-I357 HydrophobicContact CG-CD1 4.32Å; I306-I357 HydrophobicContact CD1-CD1 4.23Å; I306-I357 HydrophobicContact CD1-CG2 3.61Å; L352-I357 HydrophobicContact CD1-CG1 3.89Å; I357-I359 HydrophobicContact CG2-CD1 4.1Å; I357-V374 CarbonylContact O-C 3.57Å; I357-V374 WeakPolarHBondContact O-CA 3.27Å; I357-F375 HydrophobicContact CB-CB 4.46Å; I357-F375 HydrophobicContact CD1-CD1 4.47Å; I357-F375 PolarHBondContact N-O 2.86Å; I357-F375 PolarHBondContact O-N 3.06Å; I357-L377 HydrophobicContact CD1-CD1 4.38Å; I357-L377 HydrophobicContact CD1-CD2 4.06Å; I357-L377 HydrophobicContact CD1-CG 4.39Å; I357-L377 HydrophobicContact CG1-CD1 4.32Å; I357-V591 HydrophobicContact CD1-CG2 4.19Å
358Y96.5Very high95Very high7 Ų732.6 Ų32.63%0.02718%0.18CC..EExtended strand (participates in β ladder)trans-93134.8175.5-68.8-102.9000109.4C350 V351 H353 Q356 I360 L372 K373 V374 L385 I404 Y422C350-Y358 WeakPolarHBondContact CA-O 3.24Å; C350-Y358 WeakPolarHBondContact CB-O 3.49Å; V351-Y358 PolarHBondContact N-O 2.92Å; V351-Y358 PolarHBondContact O-N 2.76Å; H353-Y358 HydrophobicContact CB-CD2 4.27Å; H353-Y358 HydrophobicContact CB-CE2 3.95Å; Q356-Y358 HydrophobicContact CB-CD2 4.26Å; Q356-Y358 HydrophobicContact CB-CE2 3.62Å; Q356-Y358 PolarHBondContact OE1-OH 3.09Å; Y358-I360 WeakPolarHBondContact O-CD1 3.3Å; Y358-L372 HydrophobicContact CD1-CD1 3.97Å; Y358-L372 HydrophobicContact CD1-CD2 4.39Å; Y358-L372 HydrophobicContact CD1-CG 4.36Å; Y358-K373 CarbonylContact C-O 3.55Å; Y358-K373 VanDerWaalsContact CA-O 3.3Å; Y358-K373 WeakPolarHBondContact CA-O 3.34Å; Y358-V374 HydrophobicContact CD1-CB 4.07Å; Y358-V374 HydrophobicContact CD1-CG2 4.1Å; Y358-V374 HydrophobicContact CD2-CG2 4.1Å; Y358-V374 HydrophobicContact CE1-CB 4.04Å; Y358-V374 HydrophobicContact CE1-CG2 3.9Å; Y358-V374 HydrophobicContact CE2-CG2 3.84Å; Y358-V374 HydrophobicContact CG-CG2 4.21Å; Y358-L385 HydrophobicContact CD1-CD1 4.19Å; Y358-L385 HydrophobicContact CE1-CD1 3.61Å; Y358-I404 HydrophobicContact CD1-CD1 3.43Å; Y358-I404 VanDerWaalsContact CD1-CD1 3.43Å; Y358-I404 HydrophobicContact CD2-CD1 3.78Å; Y358-I404 HydrophobicContact CE1-CD1 3.8Å; Y358-I404 HydrophobicContact CE2-CD1 4.17Å; Y358-I404 HydrophobicContact CG-CD1 3.41Å; Y358-I404 VanDerWaalsContact CG-CD1 3.41Å; Y358-Y422 HydrophobicContact CE1-CE1 4.4Å
359I96.2Very high95.1Very high1 Ų132.7 Ų32.71%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-115.4120.6172.8-52.2-60.3000107.3I306 G349 C350 I357 K373 W382I306-I359 HydrophobicContact CB-CD1 4.4Å; I306-I359 HydrophobicContact CD1-CD1 3.95Å; I306-I359 HydrophobicContact CG2-CD1 3.85Å; G349-I359 WeakPolarHBondContact O-CA 3.38Å; C350-I359 HydrophobicContact CB-CD1 3.93Å; I357-I359 HydrophobicContact CG2-CD1 4.1Å; I359-K373 HydrophobicContact CB-CB 4.35Å; I359-K373 PolarHBondContact N-O 2.87Å; I359-K373 PolarHBondContact O-N 2.83Å; I359-W382 HydrophobicContact CG1-CH2 4.05Å; I359-W382 HydrophobicContact CG1-CZ3 3.94Å
360I97.5Very high95.1Very high0 Ų035.7 Ų35.70%019%0.193CC..EExtended strand (participates in β ladder)trans-113.8116-167.5-56.489.1000108.9G349 V351 Y358 G362 L372 M388 V395 A397 I404 A406 W429G349-I360 PolarHBondContact N-O 2.96Å; G349-I360 WeakPolarHBondContact O-CD1 3.28Å; G349-I360 PolarHBondContact O-N 3.21Å; V351-I360 HydrophobicContact CB-CD1 4.38Å; V351-I360 HydrophobicContact CG2-CD1 4.15Å; Y358-I360 WeakPolarHBondContact O-CD1 3.3Å; I360-G362 PolarHBondContact O-N 2.92Å; I360-L372 HydrophobicContact CG1-CD1 3.8Å; I360-M388 HydrophobicContact CG2-CE 4.05Å; I360-M388 HydrophobicContact CG2-SD 3.56Å; I360-M388 VanDerWaalsContact CG2-SD 3.56Å; I360-V395 WeakPolarHBondContact O-CG1 3.3Å; I360-A397 HydrophobicContact CB-CB 4.32Å; I360-A397 HydrophobicContact CD1-CB 3.86Å; I360-A397 HydrophobicContact CG1-CB 4.25Å; I360-I404 HydrophobicContact CD1-CG2 4.16Å; I360-I404 HydrophobicContact CG1-CG2 4Å; I360-A406 HydrophobicContact CG2-CB 3.81Å; I360-W429 HydrophobicContact CG2-CH2 3.99Å; I360-W429 HydrophobicContact CG2-CZ2 4.47Å
361G97.5Very high95.2Very high0 Ų036.3 Ų36.30%020%0.196CC..  trans59.9-132.8174.700000113.1H345 S348 T369 T371H345-G361 PolarHBondContact CE1-O 2.91Å; H345-G361 VanDerWaalsContact CE1-O 3.28Å; H345-G361 PolarHBondContact ND1-O 2.76Å; H345-G361 VanDerWaalsContact ND1-O 3.09Å; S348-G361 PolarHBondContact OG-O 2.87Å; G361-T369 VanDerWaalsContact C-CG2 3.44Å; G361-T369 WeakPolarHBondContact CA-O 3.32Å; G361-T369 VanDerWaalsContact O-CG2 3.23Å; G361-T369 WeakPolarHBondContact O-CG2 3.02Å; G361-T371 PolarHBondContact N-O 2.73Å
362G97.1Very high95.3Very high0 Ų036 Ų360%019%0.194CC..  trans96.5-163-178.900000114.7A346 Y347 S348 I360 P368 T369 R392A346-G362 CarbonylContact O-C 3.4Å; A346-G362 VanDerWaalsContact O-CA 3.28Å; A346-G362 WeakPolarHBondContact O-CA 3.48Å; Y347-G362 WeakPolarHBondContact O-CA 3.31Å; S348-G362 WeakPolarHBondContact OG-CA 3.49Å; I360-G362 PolarHBondContact O-N 2.92Å; G362-P368 WeakPolarHBondContact O-CA 3.24Å; G362-T369 WeakPolarHBondContact O-CG2 3.4Å; G362-T369 PolarHBondContact O-N 3.2Å; G362-R392 WeakPolarHBondContact CA-O 3.28Å; G362-R392 PolarHBondContact N-O 3.17Å
363Y95.7Very high95.2Very high76 Ų7633.9 Ų33.930%0.29818%0.183SC..EExtended strand (participates in β ladder)trans-114.2124.4174.7-160.7-87000108.8W309 P320 H345 A346 P368 N393W309-Y363 HydrophobicContact CH2-CE1 4.5Å; W309-Y363 AromaticContact CZ3-CD1 3.97Å; W309-Y363 HydrophobicContact CZ3-CD1 3.97Å; W309-Y363 HydrophobicContact CZ3-CE1 4.17Å; P320-Y363 HydrophobicContact CG-CD1 3.85Å; P320-Y363 WeakPolarHBondContact CG-O 3.47Å; H345-Y363 WeakPolarHBondContact CA-O 3.44Å; A346-Y363 PolarHBondContact N-O 2.87Å; A346-Y363 PolarHBondContact O-N 2.83Å; Y363-P368 HydrophobicContact CD2-CG 4.06Å; Y363-P368 HydrophobicContact CE2-CG 4.18Å; Y363-N393 HydrophobicContact CD2-CB 4.27Å; Y363-N393 WeakPolarHBondContact CD2-ND2 3.11Å
364V94.3Very high95.2Very high9 Ų933.2 Ų33.26%0.05518%0.18CC..EExtended strand (participates in β ladder)trans-113.9173.2174.6-63.40000108.2V343 G344 H345 S366 G367 T369V343-V364 HydrophobicContact CG1-CB 4.18Å; V343-V364 HydrophobicContact CG1-CG1 4.24Å; G344-V364 WeakPolarHBondContact O-CG1 3.46Å; H345-V364 WeakPolarHBondContact CE1-CG1 3.49Å; H345-V364 WeakPolarHBondContact NE2-CG1 3.31Å; V364-S366 WeakPolarHBondContact CG2-OG 3.49Å; V364-S366 PolarHBondContact O-N 2.81Å; V364-G367 VanDerWaalsContact CG2-O 3.27Å; V364-G367 WeakPolarHBondContact CG2-O 3.4Å; V364-G367 PolarHBondContact N-O 3.16Å; V364-G367 PolarHBondContact O-N 2.81Å; V364-T369 HydrophobicContact CG1-CG2 3.88Å; V364-T369 HydrophobicContact CG2-CG2 4.35Å
365P90.9Very high95.3Very high96 Ų9625.6 Ų25.662%0.62315%0.147SC*.THydrogen-bonded Turntrans-54.2-26.3-179.6-30.337.7000114.8
366S91.7Very high95.3Very high112 Ų11225.9 Ų25.978%0.78315%0.146SC*.THydrogen-bonded Turntrans-87.97.8175.7640000114.9V364V364-S366 WeakPolarHBondContact CG2-OG 3.49Å; V364-S366 PolarHBondContact O-N 2.81Å
367G94.5Very high95.1Very high6 Ų623.4 Ų23.46%0.06214%0.135CC..EExtended strand (participates in β ladder)trans104.6-162.3-179.700000114.8V364V364-G367 VanDerWaalsContact CG2-O 3.27Å; V364-G367 WeakPolarHBondContact CG2-O 3.4Å; V364-G367 PolarHBondContact N-O 3.16Å; V364-G367 PolarHBondContact O-N 2.81Å
368P97.3Very high94.9Very high22 Ų2232.1 Ų32.114%0.14317%0.168CC..EExtended strand (participates in β ladder)trans-59.2140.7176.4-24.936.4000112G362 Y363 K391 N393G362-P368 WeakPolarHBondContact O-CA 3.24Å; Y363-P368 HydrophobicContact CD2-CG 4.06Å; Y363-P368 HydrophobicContact CE2-CG 4.18Å; P368-K391 HydrophobicContact CB-CB 4.17Å; P368-K391 WeakPolarHBondContact O-CD 3.42Å; P368-N393 HydrophobicContact CB-CB 4.28Å; P368-N393 HydrophobicContact CG-CB 4.45Å
369T97.4Very high94.5Very high15 Ų1535.8 Ų35.89%0.09219%0.188CC..  trans-126.4154.2-175.6-175.40000113G361 G362 V364 T371 R392G361-T369 VanDerWaalsContact C-CG2 3.44Å; G361-T369 WeakPolarHBondContact CA-O 3.32Å; G361-T369 VanDerWaalsContact O-CG2 3.23Å; G361-T369 WeakPolarHBondContact O-CG2 3.02Å; G362-T369 WeakPolarHBondContact O-CG2 3.4Å; G362-T369 PolarHBondContact O-N 3.2Å; V364-T369 HydrophobicContact CG1-CG2 3.88Å; V364-T369 HydrophobicContact CG2-CG2 4.35Å; T369-T371 VanDerWaalsContact CG2-OG1 3.29Å; T369-T371 WeakPolarHBondContact CG2-OG1 3.42Å; T369-T371 VanDerWaalsContact OG1-CG2 3.23Å; T369-T371 WeakPolarHBondContact OG1-CG2 3.42Å; T369-T371 PolarHBondContact OG1-N 2.8Å; T369-T371 VanDerWaalsContact OG1-N 3.13Å; T369-T371 PolarHBondContact OG1-OG1 2.85Å; T369-R392 PolarHBondContact O-N 2.92Å
370Q97.1Very high94.1Very high69 Ų6939.1 Ų39.132%0.32221%0.205SC..  trans-99.43173.262.2-169.583.300112.4L372 P387 M388 E390 K391Q370-L372 PolarHBondContact O-N 2.86Å; Q370-P387 HydrophobicContact CB-CB 4.36Å; Q370-P387 HydrophobicContact CG-CB 3.8Å; Q370-P387 CarbonylContact O-C 3.55Å; Q370-P387 WeakPolarHBondContact O-CA 3.44Å; Q370-M388 HydrophobicContact CB-CB 4.19Å; Q370-M388 PolarHBondContact NE2-O 3.21Å; Q370-M388 PolarHBondContact O-N 3.22Å; Q370-E390 WeakPolarHBondContact CB-O 3.46Å; Q370-K391 HydrophobicContact CB-CG 4.24Å
371T96.8Very high93.7Very high34 Ų3445.4 Ų45.421%0.20923%0.233CC..  trans-67.8132.9-171.550.90000112.4G361 T369G361-T371 PolarHBondContact N-O 2.73Å; T369-T371 VanDerWaalsContact CG2-OG1 3.29Å; T369-T371 WeakPolarHBondContact CG2-OG1 3.42Å; T369-T371 VanDerWaalsContact OG1-CG2 3.23Å; T369-T371 WeakPolarHBondContact OG1-CG2 3.42Å; T369-T371 PolarHBondContact OG1-N 2.8Å; T369-T371 VanDerWaalsContact OG1-N 3.13Å; T369-T371 PolarHBondContact OG1-OG1 2.85Å
372L96.8Very high93.4Very high0 Ų048.1 Ų48.10%024%0.243CC..EExtended strand (participates in β ladder)trans-101.2122.9161.2-178.660.7000108.9Y358 I360 Q370 L385 S386 Y422 W429Y358-L372 HydrophobicContact CD1-CD1 3.97Å; Y358-L372 HydrophobicContact CD1-CD2 4.39Å; Y358-L372 HydrophobicContact CD1-CG 4.36Å; I360-L372 HydrophobicContact CG1-CD1 3.8Å; Q370-L372 PolarHBondContact O-N 2.86Å; L372-L385 HydrophobicContact CB-CB 4.29Å; L372-L385 HydrophobicContact CD2-CB 3.89Å; L372-L385 HydrophobicContact CD2-CD1 3.94Å; L372-L385 HydrophobicContact CG-CB 4.05Å; L372-L385 HydrophobicContact CG-CD1 4.25Å; L372-L385 PolarHBondContact O-N 2.84Å; L372-S386 WeakPolarHBondContact CB-O 3.48Å; L372-Y422 HydrophobicContact CD2-CD1 3.87Å; L372-Y422 HydrophobicContact CD2-CD2 3.75Å; L372-Y422 HydrophobicContact CD2-CE1 3.79Å; L372-Y422 HydrophobicContact CD2-CE2 3.66Å; L372-Y422 HydrophobicContact CD2-CG 3.84Å; L372-W429 HydrophobicContact CB-CZ2 4.12Å; L372-W429 HydrophobicContact CD1-CZ2 4.02Å; L372-W429 HydrophobicContact CD2-CZ2 3.74Å; L372-W429 HydrophobicContact CG-CZ2 4.16Å
373K94.3Very high93.2Very high8 Ų854.1 Ų54.14%0.03527%0.269CS..EExtended strand (participates in β ladder)trans-117.7148.2174.2-60.7179.5-178.81770109.7N342 H345 Y358 I359 W382 K383 I384N342-K373 PolarHBondContact OD1-NZ 2.91Å; H345-K373 WeakPolarHBondContact NE2-CE 3.34Å; H345-K373 PolarHBondContact NE2-NZ 3.15Å; Y358-K373 CarbonylContact C-O 3.55Å; Y358-K373 VanDerWaalsContact CA-O 3.3Å; Y358-K373 WeakPolarHBondContact CA-O 3.34Å; I359-K373 HydrophobicContact CB-CB 4.35Å; I359-K373 PolarHBondContact N-O 2.87Å; I359-K373 PolarHBondContact O-N 2.83Å; K373-W382 HydrophobicContact CB-CE3 4.22Å; K373-W382 HydrophobicContact CB-CZ3 4.24Å; K373-K383 CarbonylContact C-O 3.57Å; K373-K383 WeakPolarHBondContact CA-O 3.28Å; K373-I384 HydrophobicContact CG-CG1 4.35Å
374V94.5Very high93.1Very high7 Ų755.8 Ų55.84%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-129.7136.6173.866.80000110.3Q356 I357 Y358 W382 K383 L385Q356-V374 HydrophobicContact CB-CG2 3.62Å; Q356-V374 HydrophobicContact CG-CG2 3.98Å; I357-V374 CarbonylContact O-C 3.57Å; I357-V374 WeakPolarHBondContact O-CA 3.27Å; Y358-V374 HydrophobicContact CD1-CB 4.07Å; Y358-V374 HydrophobicContact CD1-CG2 4.1Å; Y358-V374 HydrophobicContact CD2-CG2 4.1Å; Y358-V374 HydrophobicContact CE1-CB 4.04Å; Y358-V374 HydrophobicContact CE1-CG2 3.9Å; Y358-V374 HydrophobicContact CE2-CG2 3.84Å; Y358-V374 HydrophobicContact CG-CG2 4.21Å; V374-W382 CarbonylContact O-C 3.57Å; V374-W382 WeakPolarHBondContact O-CA 3.37Å; V374-K383 HydrophobicContact CG1-CB 3.83Å; V374-K383 PolarHBondContact N-O 3.41Å; V374-K383 PolarHBondContact O-N 2.99Å; V374-L385 HydrophobicContact CB-CD1 3.99Å; V374-L385 HydrophobicContact CB-CG 4.43Å; V374-L385 HydrophobicContact CG1-CD1 3.76Å; V374-L385 HydrophobicContact CG1-CD2 3.97Å; V374-L385 HydrophobicContact CG1-CG 3.85Å
375F92.3Very high93.2Very high1 Ų157.4 Ų57.40%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-109.2119.9170.9-177-119.1000110.4L339 Q356 I357 L377 L380 W382 F600L339-F375 HydrophobicContact CD1-CD2 4.36Å; L339-F375 HydrophobicContact CD1-CE1 3.85Å; L339-F375 HydrophobicContact CD1-CE2 3.44Å; L339-F375 VanDerWaalsContact CD1-CE2 3.44Å; L339-F375 HydrophobicContact CD1-CZ 3.14Å; L339-F375 HydrophobicContact CD2-CD1 4.06Å; L339-F375 HydrophobicContact CD2-CE1 3.43Å; L339-F375 VanDerWaalsContact CD2-CE1 3.43Å; L339-F375 HydrophobicContact CD2-CE2 4.44Å; L339-F375 HydrophobicContact CD2-CZ 3.7Å; L339-F375 HydrophobicContact CG-CE1 4.29Å; L339-F375 HydrophobicContact CG-CZ 4.05Å; Q356-F375 VanDerWaalsContact CA-O 3.32Å; Q356-F375 WeakPolarHBondContact CA-O 3.48Å; I357-F375 HydrophobicContact CB-CB 4.46Å; I357-F375 HydrophobicContact CD1-CD1 4.47Å; I357-F375 PolarHBondContact N-O 2.86Å; I357-F375 PolarHBondContact O-N 3.06Å; F375-L377 HydrophobicContact CD1-CD2 4.03Å; F375-L377 HydrophobicContact CD1-CG 4.4Å; F375-L377 HydrophobicContact CE1-CD2 3.78Å; F375-L377 HydrophobicContact CE1-CG 4.44Å; F375-L380 HydrophobicContact CE2-CB 4.37Å; F375-L380 HydrophobicContact CZ-CB 4.16Å; F375-L380 HydrophobicContact CZ-CD2 3.9Å; F375-W382 HydrophobicContact CB-CD2 3.9Å; F375-W382 HydrophobicContact CB-CE3 3.74Å; F375-W382 HydrophobicContact CB-CH2 3.5Å; F375-W382 VanDerWaalsContact CB-CH2 3.5Å; F375-W382 HydrophobicContact CB-CZ2 3.63Å; F375-W382 HydrophobicContact CB-CZ3 3.57Å; F375-W382 AromaticContact CD2-CD1 3.8Å; F375-W382 AromaticContact CD2-CD2 3.77Å; F375-W382 HydrophobicContact CD2-CD2 3.77Å; F375-W382 AromaticContact CD2-CE2 3.44Å; F375-W382 VanDerWaalsContact CD2-CE2 3.44Å; F375-W382 HydrophobicContact CD2-CE3 4.47Å; F375-W382 AromaticContact CD2-CG 3.95Å; F375-W382 HydrophobicContact CD2-CG 3.95Å; F375-W382 AromaticContact CD2-CZ2 3.85Å; F375-W382 HydrophobicContact CD2-CZ2 3.85Å; F375-W382 AromaticContact CD2-NE1 3.52Å; F375-W382 AromaticContact CE2-NE1 3.91Å; F375-W382 HydrophobicContact CG-CD2 4.21Å; F375-W382 AromaticContact CG-CE2 3.83Å; F375-W382 HydrophobicContact CG-CH2 4.14Å; F375-W382 AromaticContact CG-CZ2 3.75Å; F375-W382 HydrophobicContact CG-CZ2 3.75Å; F375-F600 HydrophobicContact CE1-CE1 4.34Å; F375-F600 AromaticContact CE1-CZ 3.83Å; F375-F600 HydrophobicContact CE1-CZ 3.83Å; F375-F600 HydrophobicContact CZ-CE1 4.4Å; F375-F600 HydrophobicContact CZ-CZ 4.04Å
376E93Very high93.5Very high27 Ų2755 Ų5513%0.12628%0.276CS..EExtended strand (participates in β ladder)trans-88.3110.7175.2175.960.2-114.900110.3T355 Q356 R378 N379 L380 K381T355-E376 WeakPolarHBondContact CB-OE1 3.45Å; T355-E376 PolarHBondContact OG1-OE1 3.17Å; Q356-E376 WeakPolarHBondContact CG-OE2 3.28Å; Q356-E376 PolarHBondContact NE2-OE2 3.21Å; E376-R378 HydrophobicContact CG-CB 4.31Å; E376-R378 PolarHBondContact O-N 2.82Å; E376-R378 WeakPolarHBondContact OE1-CB 3.36Å; E376-R378 WeakPolarHBondContact OE1-CG 3.15Å; E376-R378 PolarHBondContact OE1-N 3.18Å; E376-N379 VanDerWaalsContact CB-OD1 3.32Å; E376-N379 WeakPolarHBondContact CB-OD1 3.45Å; E376-N379 VanDerWaalsContact CG-OD1 3.26Å; E376-N379 WeakPolarHBondContact CG-OD1 3.4Å; E376-N379 PolarHBondContact O-N 3.23Å; E376-N379 PolarHBondContact O-OD1 3.32Å; E376-L380 WeakPolarHBondContact O-CA 3.41Å; E376-L380 PolarHBondContact O-N 2.87Å; E376-K381 PolarHBondContact N-O 3.2Å
377L91.1Very high93.8Very high1 Ų153 Ų531%0.00526%0.26CS..THydrogen-bonded Turntrans-63.5-28.7-176.7-71.3163.1000112.7F304 L352 T355 I357 F375 L380 V591 L596 F600F304-L377 HydrophobicContact CE1-CD2 4.1Å; F304-L377 HydrophobicContact CZ-CD2 4.1Å; L352-L377 HydrophobicContact CD1-CD1 4.25Å; T355-L377 VanDerWaalsContact O-CB 3.3Å; T355-L377 WeakPolarHBondContact O-CB 3.42Å; T355-L377 WeakPolarHBondContact O-CD1 3.35Å; T355-L377 WeakPolarHBondContact O-CG 3.32Å; T355-L377 PolarHBondContact O-N 2.99Å; I357-L377 HydrophobicContact CD1-CD1 4.38Å; I357-L377 HydrophobicContact CD1-CD2 4.06Å; I357-L377 HydrophobicContact CD1-CG 4.39Å; I357-L377 HydrophobicContact CG1-CD1 4.32Å; F375-L377 HydrophobicContact CD1-CD2 4.03Å; F375-L377 HydrophobicContact CD1-CG 4.4Å; F375-L377 HydrophobicContact CE1-CD2 3.78Å; F375-L377 HydrophobicContact CE1-CG 4.44Å; L377-L380 WeakPolarHBondContact O-CD2 3.38Å; L377-V591 HydrophobicContact CD1-CB 4.47Å; L377-V591 HydrophobicContact CD1-CG1 3.63Å; L377-V591 HydrophobicContact CD1-CG2 3.93Å; L377-L596 HydrophobicContact CB-CB 4.36Å; L377-L596 HydrophobicContact CB-CD2 4.1Å; L377-L596 HydrophobicContact CD1-CD1 4.25Å; L377-F600 HydrophobicContact CD2-CE2 3.76Å; L377-F600 HydrophobicContact CD2-CZ 3.98Å
378R89.5Confident94Very high184 Ų18452.8 Ų52.869%0.69426%0.257SS*.THydrogen-bonded Turntrans-71.2-36.7-176.4-68.8-179.7176.3-175.93.1113.9T355 E376 L596T355-R378 HydrophobicContact CG2-CG 4.42Å; E376-R378 HydrophobicContact CG-CB 4.31Å; E376-R378 PolarHBondContact O-N 2.82Å; E376-R378 WeakPolarHBondContact OE1-CB 3.36Å; E376-R378 WeakPolarHBondContact OE1-CG 3.15Å; E376-R378 PolarHBondContact OE1-N 3.18Å; R378-L596 HydrophobicContact CG-CD2 3.67Å
379N89.1Confident94.1Very high83 Ų8356.7 Ų56.744%0.44427%0.274SS..THydrogen-bonded Turntrans-119.62.9-175.364.821.7000113.3E376 K381E376-N379 VanDerWaalsContact CB-OD1 3.32Å; E376-N379 WeakPolarHBondContact CB-OD1 3.45Å; E376-N379 VanDerWaalsContact CG-OD1 3.26Å; E376-N379 WeakPolarHBondContact CG-OD1 3.4Å; E376-N379 PolarHBondContact O-N 3.23Å; E376-N379 PolarHBondContact O-OD1 3.32Å; N379-K381 VanDerWaalsContact C-N 3.29Å; N379-K381 PolarHBondContact O-N 2.85Å; N379-K381 WeakPolarHBondContact OD1-CB 3.43Å; N379-K381 PolarHBondContact OD1-N 3.26Å
380L87.9Confident94.1Very high72 Ų7258.9 Ų58.938%0.37728%0.283SS..THydrogen-bonded Turntrans59.536.3175.6-48.2179.3000113.2F375 E376 L377 N599 F600F375-L380 HydrophobicContact CE2-CB 4.37Å; F375-L380 HydrophobicContact CZ-CB 4.16Å; F375-L380 HydrophobicContact CZ-CD2 3.9Å; E376-L380 WeakPolarHBondContact O-CA 3.41Å; E376-L380 PolarHBondContact O-N 2.87Å; L377-L380 WeakPolarHBondContact O-CD2 3.38Å; L380-N599 HydrophobicContact CD1-CB 4.31Å; L380-F600 HydrophobicContact CD2-CE1 3.79Å; L380-F600 HydrophobicContact CD2-CE2 3.85Å; L380-F600 HydrophobicContact CD2-CZ 3.13Å
381K89.4Confident94.1Very high132 Ų13260.2 Ų60.257%0.57429%0.287SS*.EExtended strand (participates in β ladder)trans-113138.1-179.7-66.1-173.5178.2-175.60112.5E376 N379E376-K381 PolarHBondContact N-O 3.2Å; N379-K381 VanDerWaalsContact C-N 3.29Å; N379-K381 PolarHBondContact O-N 2.85Å; N379-K381 WeakPolarHBondContact OD1-CB 3.43Å; N379-K381 PolarHBondContact OD1-N 3.26Å
382W90Very high94.2Very high57 Ų5758.6 Ų58.622%0.21628%0.278CS..EExtended strand (participates in β ladder)trans-87.2144.5167.3-71.797.9000111.2I324 T340 L341 I359 K373 V374 F375I324-W382 HydrophobicContact CD1-CH2 4.39Å; I324-W382 HydrophobicContact CD1-CZ2 3.7Å; T340-W382 PolarHBondContact O-NE1 3.31Å; T340-W382 VanDerWaalsContact O-NE1 3.15Å; L341-W382 HydrophobicContact CD2-CH2 3.2Å; L341-W382 HydrophobicContact CD2-CZ2 3.39Å; L341-W382 HydrophobicContact CD2-CZ3 3.85Å; L341-W382 HydrophobicContact CG-CZ2 4.49Å; I359-W382 HydrophobicContact CG1-CH2 4.05Å; I359-W382 HydrophobicContact CG1-CZ3 3.94Å; K373-W382 HydrophobicContact CB-CE3 4.22Å; K373-W382 HydrophobicContact CB-CZ3 4.24Å; V374-W382 CarbonylContact O-C 3.57Å; V374-W382 WeakPolarHBondContact O-CA 3.37Å; F375-W382 HydrophobicContact CB-CD2 3.9Å; F375-W382 HydrophobicContact CB-CE3 3.74Å; F375-W382 HydrophobicContact CB-CH2 3.5Å; F375-W382 VanDerWaalsContact CB-CH2 3.5Å; F375-W382 HydrophobicContact CB-CZ2 3.63Å; F375-W382 HydrophobicContact CB-CZ3 3.57Å; F375-W382 AromaticContact CD2-CD1 3.8Å; F375-W382 AromaticContact CD2-CD2 3.77Å; F375-W382 HydrophobicContact CD2-CD2 3.77Å; F375-W382 AromaticContact CD2-CE2 3.44Å; F375-W382 VanDerWaalsContact CD2-CE2 3.44Å; F375-W382 HydrophobicContact CD2-CE3 4.47Å; F375-W382 AromaticContact CD2-CG 3.95Å; F375-W382 HydrophobicContact CD2-CG 3.95Å; F375-W382 AromaticContact CD2-CZ2 3.85Å; F375-W382 HydrophobicContact CD2-CZ2 3.85Å; F375-W382 AromaticContact CD2-NE1 3.52Å; F375-W382 AromaticContact CE2-NE1 3.91Å; F375-W382 HydrophobicContact CG-CD2 4.21Å; F375-W382 AromaticContact CG-CE2 3.83Å; F375-W382 HydrophobicContact CG-CH2 4.14Å; F375-W382 AromaticContact CG-CZ2 3.75Å; F375-W382 HydrophobicContact CG-CZ2 3.75Å
383K93.5Very high94.2Very high126 Ų12658.9 Ų58.955%0.54828%0.279SS..EExtended strand (participates in β ladder)trans-135.8142.4167.8-62.6180-178.6178.30109.6K373 V374 L385K373-K383 CarbonylContact C-O 3.57Å; K373-K383 WeakPolarHBondContact CA-O 3.28Å; V374-K383 HydrophobicContact CG1-CB 3.83Å; V374-K383 PolarHBondContact N-O 3.41Å; V374-K383 PolarHBondContact O-N 2.99Å; K383-L385 HydrophobicContact CB-CD2 4.44Å
384I94.4Very high94.4Very high111 Ų11161.5 Ų61.557%0.56929%0.289SS*.EExtended strand (participates in β ladder)trans-89.4132.7166.4-60.3174.8000106.7K373K373-I384 HydrophobicContact CG-CG1 4.35Å
385L96.5Very high94.5Very high42 Ų4261.7 Ų61.722%0.2229%0.29CS..  trans-108.4-177.2178.3-57.2-176.1000110Y358 L372 V374 K383 Y422Y358-L385 HydrophobicContact CD1-CD1 4.19Å; Y358-L385 HydrophobicContact CE1-CD1 3.61Å; L372-L385 HydrophobicContact CB-CB 4.29Å; L372-L385 HydrophobicContact CD2-CB 3.89Å; L372-L385 HydrophobicContact CD2-CD1 3.94Å; L372-L385 HydrophobicContact CG-CB 4.05Å; L372-L385 HydrophobicContact CG-CD1 4.25Å; L372-L385 PolarHBondContact O-N 2.84Å; V374-L385 HydrophobicContact CB-CD1 3.99Å; V374-L385 HydrophobicContact CB-CG 4.43Å; V374-L385 HydrophobicContact CG1-CD1 3.76Å; V374-L385 HydrophobicContact CG1-CD2 3.97Å; V374-L385 HydrophobicContact CG1-CG 3.85Å; K383-L385 HydrophobicContact CB-CD2 4.44Å; L385-Y422 HydrophobicContact CD1-CE1 4.38Å
386S97.2Very high94.7Very high47 Ų4762 Ų6233%0.32929%0.292SS..PPolyproline II helixtrans-52.9128.1175.8-53.50000110.2L372 K427 W429L372-S386 WeakPolarHBondContact CB-O 3.48Å; S386-K427 VanDerWaalsContact CB-O 3.31Å; S386-K427 WeakPolarHBondContact CB-O 3.4Å; S386-K427 PolarHBondContact OG-O 2.78Å; S386-W429 PolarHBondContact O-NE1 3.38Å
387P97.9Very high94.9Very high68 Ų6861.5 Ų61.544%0.44229%0.293SS..PPolyproline II helixtrans-71.5156.1-18030.5-34.5000111.2Q370 W429Q370-P387 HydrophobicContact CB-CB 4.36Å; Q370-P387 HydrophobicContact CG-CB 3.8Å; Q370-P387 CarbonylContact O-C 3.55Å; Q370-P387 WeakPolarHBondContact O-CA 3.44Å; P387-W429 VanDerWaalsContact C-CD1 3.41Å
388M98.5Very high95.2Very high2 Ų261.9 Ų61.91%0.0130%0.296CS..PPolyproline II helixtrans-59.5160.6164.7-71.2-176.8-55.600111.1I360 Q370 E390 R392 A406 E420 W429I360-M388 HydrophobicContact CG2-CE 4.05Å; I360-M388 HydrophobicContact CG2-SD 3.56Å; I360-M388 VanDerWaalsContact CG2-SD 3.56Å; Q370-M388 HydrophobicContact CB-CB 4.19Å; Q370-M388 PolarHBondContact NE2-O 3.21Å; Q370-M388 PolarHBondContact O-N 3.22Å; M388-E390 WeakPolarHBondContact CB-O 3.29Å; M388-R392 HydrophobicContact CE-CB 4.15Å; M388-R392 HydrophobicContact CE-CG 4.09Å; M388-R392 HydrophobicContact SD-CG 4.49Å; M388-A406 HydrophobicContact SD-CB 3.34Å; M388-A406 WeakPolarHBondContact SD-CB 3.49Å; M388-E420 WeakPolarHBondContact CA-OE2 3.41Å; M388-E420 WeakPolarHBondContact CB-OE2 3.32Å; M388-E420 HydrophobicContact CG-CG 4.38Å; M388-E420 HydrophobicContact SD-CG 4.47Å; M388-W429 HydrophobicContact CG-CD2 3.74Å; M388-W429 VanDerWaalsContact CG-CE2 3.43Å; M388-W429 HydrophobicContact CG-CE3 4Å; M388-W429 HydrophobicContact CG-CG 4.41Å; M388-W429 HydrophobicContact CG-CH2 3.72Å; M388-W429 HydrophobicContact CG-CZ2 3.41Å; M388-W429 VanDerWaalsContact CG-CZ2 3.41Å; M388-W429 HydrophobicContact CG-CZ3 4.01Å; M388-W429 HydrophobicContact SD-CH2 3.94Å; M388-W429 HydrophobicContact SD-CZ2 4.14Å; M388-W429 HydrophobicContact SD-CZ3 4.29Å
389H98.1Very high95.6Very high105 Ų10555 Ų5549%0.48628%0.275SS..SBendtrans-71.4-41.6172.3-64.9-75.3000111.1E420 W429 F431H389-E420 IonicContact CD2-OE2 3.79Å; H389-E420 PolarHBondContact CD2-OE2 3.36Å; H389-E420 IonicContact CG-OE2 3.44Å; H389-E420 PolarHBondContact N-OE2 2.75Å; H389-W429 PolarHBondContact NE2-O 2.95Å; H389-F431 HydrophobicContact CB-CE1 4.42Å; H389-F431 HydrophobicContact CB-CE2 3.65Å; H389-F431 HydrophobicContact CB-CZ 3.46Å; H389-F431 VanDerWaalsContact CB-CZ 3.46Å; H389-F431 AromaticContact CD2-CE2 3.85Å; H389-F431 AromaticContact CG-CE2 3.69Å
390E97.4Very high95.9Very high61 Ų6151.7 Ų51.729%0.28526%0.258SS..SBendtrans-101.1148.5178.3-72.4-75.2171.900111.7Q370 M388 R392 N411 L416 E420 F431Q370-E390 WeakPolarHBondContact CB-O 3.46Å; M388-E390 WeakPolarHBondContact CB-O 3.29Å; E390-R392 HydrophobicContact CB-CG 4.18Å; E390-N411 PolarHBondContact OE2-ND2 3.36Å; E390-N411 VanDerWaalsContact OE2-ND2 3.12Å; E390-L416 HydrophobicContact CB-CD1 4.12Å; E390-L416 HydrophobicContact CG-CD1 4.41Å; E390-E420 PolarHBondContact N-OE1 3.46Å; E390-F431 HydrophobicContact CG-CE1 4.46Å; E390-F431 HydrophobicContact CG-CZ 4.31Å
391K98.5Very high96.1Very high97 Ų9754 Ų5442%0.42227%0.271SS..  trans-73.5137.6161.3-68.6173.7173.4-173.50108.3P368 Q370 N411P368-K391 HydrophobicContact CB-CB 4.17Å; P368-K391 WeakPolarHBondContact O-CD 3.42Å; Q370-K391 HydrophobicContact CB-CG 4.24Å; K391-N411 HydrophobicContact CB-CB 4.18Å; K391-N411 WeakPolarHBondContact O-CA 3.41Å; K391-N411 WeakPolarHBondContact O-CB 3.39Å
392R98.4Very high96.2Very high0 Ų049.3 Ų49.30%025%0.252CS..  trans-143.2106.7-179.7-50.5179.8178-95.8-1.8110.9G362 T369 M388 E390 V395 G408 H410 L416 S418 E420G362-R392 WeakPolarHBondContact CA-O 3.28Å; G362-R392 PolarHBondContact N-O 3.17Å; T369-R392 PolarHBondContact O-N 2.92Å; M388-R392 HydrophobicContact CE-CB 4.15Å; M388-R392 HydrophobicContact CE-CG 4.09Å; M388-R392 HydrophobicContact SD-CG 4.49Å; E390-R392 HydrophobicContact CB-CG 4.18Å; R392-V395 HydrophobicContact CB-CB 3.7Å; R392-V395 HydrophobicContact CB-CG1 4.35Å; R392-V395 HydrophobicContact CB-CG2 3.74Å; R392-V395 HydrophobicContact CG-CG2 4.36Å; R392-G408 PolarHBondContact NH1-O 2.95Å; R392-H410 WeakPolarHBondContact CA-O 3.28Å; R392-L416 HydrophobicContact CG-CD1 3.95Å; R392-S418 PolarHBondContact NH1-O 3.15Å; R392-S418 PolarHBondContact NH1-OG 3.13Å; R392-S418 PolarHBondContact NH2-OG 2.96Å; R392-E420 IonicContact CZ-OE1 3.49Å; R392-E420 VanDerWaalsContact CZ-OE1 3.25Å; R392-E420 IonicContact NE-OE1 3.84Å; R392-E420 PolarHBondContact NE-OE1 2.86Å; R392-E420 IonicContact NH2-OE1 3.46Å; R392-E420 PolarHBondContact NH2-OE1 3.01Å
393N96.6Very high96.6Very high5 Ų549.6 Ų49.63%0.02725%0.253CS..BIsolated β-bridgetrans-96.1165.9155.676-25.9000110Y363 P368 V395 G409 H410Y363-N393 HydrophobicContact CD2-CB 4.27Å; Y363-N393 WeakPolarHBondContact CD2-ND2 3.11Å; P368-N393 HydrophobicContact CB-CB 4.28Å; P368-N393 HydrophobicContact CG-CB 4.45Å; N393-V395 PolarHBondContact O-N 2.78Å; N393-V395 VanDerWaalsContact O-N 3.16Å; N393-G409 CarbonylContact O-C 3.57Å; N393-G409 WeakPolarHBondContact O-CA 3.48Å; N393-H410 PolarHBondContact N-O 3.1Å; N393-H410 PolarHBondContact O-N 3.21Å; N393-H410 VanDerWaalsContact OD1-CB 3.28Å; N393-H410 WeakPolarHBondContact OD1-CB 3.35Å; N393-H410 PolarHBondContact OD1-ND1 3.28Å; N393-H410 PolarHBondContact OD1-O 2.95Å
394Y97.5Very high96.8Very high63 Ų6343.6 Ų43.625%0.24723%0.227CC..SBendtrans55.330.7-172.9-47.9-71.8000112.3Y347 H410 D441Y347-Y394 AromaticContact CD1-CD1 3.17Å; Y347-Y394 HydrophobicContact CD1-CD1 3.17Å; Y347-Y394 AromaticContact CD1-CE1 3.31Å; Y347-Y394 HydrophobicContact CD1-CE1 3.31Å; Y347-Y394 HydrophobicContact CD1-CG 4.31Å; Y347-Y394 HydrophobicContact CD2-CD1 4.28Å; Y347-Y394 AromaticContact CD2-CE1 3.9Å; Y347-Y394 HydrophobicContact CD2-CE1 3.9Å; Y347-Y394 AromaticContact CE1-CD1 3.57Å; Y347-Y394 HydrophobicContact CE1-CD1 3.57Å; Y347-Y394 AromaticContact CE1-CE1 3.23Å; Y347-Y394 HydrophobicContact CE1-CE1 3.23Å; Y347-Y394 AromaticContact CE2-CE1 3.83Å; Y347-Y394 HydrophobicContact CE2-CE1 3.83Å; Y347-Y394 AromaticContact CG-CD1 3.57Å; Y347-Y394 HydrophobicContact CG-CD1 3.57Å; Y347-Y394 AromaticContact CG-CE1 3.64Å; Y347-Y394 HydrophobicContact CG-CE1 3.64Å; Y347-Y394 HydrophobicContact CG-CG 4.44Å; Y347-Y394 AromaticContact CZ-CE1 3.5Å; Y347-Y394 VanDerWaalsContact CZ-CE1 3.5Å; Y347-Y394 PolarHBondContact O-N 3.31Å; Y394-H410 HydrophobicContact CD2-CB 4.14Å; Y394-D441 VanDerWaalsContact CD1-CG 3.41Å; Y394-D441 WeakPolarHBondContact CD1-OD1 3.46Å; Y394-D441 WeakPolarHBondContact CD1-OD2 3.49Å; Y394-D441 PolarHBondContact O-N 3.04Å; Y394-D441 VanDerWaalsContact O-N 3.17Å
395V98.1Very high97Very high11 Ų1138.5 Ų38.57%0.06720%0.201CC..  trans-85.4135.3-171.564.10000109.9I360 R392 N393 A406I360-V395 WeakPolarHBondContact O-CG1 3.3Å; R392-V395 HydrophobicContact CB-CB 3.7Å; R392-V395 HydrophobicContact CB-CG1 4.35Å; R392-V395 HydrophobicContact CB-CG2 3.74Å; R392-V395 HydrophobicContact CG-CG2 4.36Å; N393-V395 PolarHBondContact O-N 2.78Å; N393-V395 VanDerWaalsContact O-N 3.16Å; V395-A406 HydrophobicContact CG2-CB 4.21Å
396C96.4Very high97.1Very high8 Ų836.5 Ų36.55%0.05419%0.19CC..EExtended strand (participates in β ladder)trans-85.7143.5167.7-39.40000108.8I407 A442 A444C396-I407 HydrophobicContact CB-CB 4.21Å; C396-I407 PolarHBondContact N-O 3.4Å; C396-I407 VanDerWaalsContact N-O 3.16Å; C396-I407 PolarHBondContact O-N 2.77Å; C396-A442 PolarHBondContact SG-O 3.43Å; C396-A444 HydrophobicContact CB-CB 3.56Å
397A97.1Very high97.2Very high17 Ų1734.3 Ų34.314%0.1418%0.175CC..EExtended strand (participates in β ladder)trans-135.3142.817100000111.5V351 I360 Y405V351-A397 HydrophobicContact CG2-CB 4.13Å; I360-A397 HydrophobicContact CB-CB 4.32Å; I360-A397 HydrophobicContact CD1-CB 3.86Å; I360-A397 HydrophobicContact CG1-CB 4.25Å; A397-Y405 VanDerWaalsContact CA-O 3.24Å; A397-Y405 WeakPolarHBondContact CA-O 3.45Å
398C97.5Very high97.2Very high9 Ų931 Ų316%0.06115%0.154CC..EExtended strand (participates in β ladder)trans-148.8158.1170.862.90000110.6Y405 I451C398-Y405 PolarHBondContact N-O 3.06Å; C398-Y405 PolarHBondContact O-N 2.97Å; C398-I451 VanDerWaalsContact SG-CG2 3.6Å
399S96.9Very high97.2Very high38 Ų3831 Ų3127%0.26615%0.153SC..EExtended strand (participates in β ladder)trans-98.3141168.650.30000111.4Y403 S446S399-Y403 VanDerWaalsContact CA-O 3.27Å; S399-Y403 WeakPolarHBondContact CA-O 3.45Å; S399-S446 WeakPolarHBondContact O-CB 3.39Å; S399-S446 PolarHBondContact O-OG 3.17Å; S399-S446 VanDerWaalsContact O-OG 3.07Å
400L97Very high97.2Very high14 Ų1427.7 Ų27.77%0.07314%0.138CC..EExtended strand (participates in β ladder)trans-139.1127.3164.6178.262.9000108.8N402 Y403 Y405 G449 I451 P471L400-N402 PolarHBondContact O-N 3.4Å; L400-Y403 PolarHBondContact N-O 3.03Å; L400-Y403 PolarHBondContact O-N 2.8Å; L400-Y405 HydrophobicContact CB-CD2 4.48Å; L400-Y405 HydrophobicContact CB-CE2 3.94Å; L400-G449 WeakPolarHBondContact CD2-O 3.39Å; L400-I451 HydrophobicContact CB-CD1 4.26Å; L400-I451 HydrophobicContact CB-CG1 4.23Å; L400-I451 HydrophobicContact CD2-CD1 4.23Å; L400-I451 HydrophobicContact CD2-CG1 3.84Å; L400-P471 HydrophobicContact CD2-CB 4.39Å; L400-P471 HydrophobicContact CD2-CG 3.83Å
401N91.3Very high97.2Very high121 Ų12126.2 Ų26.265%0.64713%0.132SC*.THydrogen-bonded Turntrans57.6-124.2-170.7-53.5-36.1000111.1Y403N401-Y403 HydrophobicContact CB-CD2 4.31Å
402N92Very high97.1Very high34 Ų3423.6 Ų23.618%0.18213%0.133CC..THydrogen-bonded Turntrans-101.222.9178.6-155.732.9000113H353 L400 I424 E425H353-N402 PolarHBondContact CE1-OD1 3.17Å; H353-N402 PolarHBondContact NE2-OD1 3.02Å; L400-N402 PolarHBondContact O-N 3.4Å; N402-I424 WeakPolarHBondContact O-CD1 3.25Å; N402-I424 WeakPolarHBondContact O-CG1 3.13Å; N402-E425 WeakPolarHBondContact ND2-CG 3.33Å; N402-E425 PolarHBondContact ND2-OE1 3.48Å
403Y97.7Very high97Very high62 Ų6232.6 Ų32.624%0.24317%0.172CC..EExtended strand (participates in β ladder)trans-124.1148.1-173.3-56.7-73.8000111.8S399 L400 N401 R421 Y422 D423S399-Y403 VanDerWaalsContact CA-O 3.27Å; S399-Y403 WeakPolarHBondContact CA-O 3.45Å; L400-Y403 PolarHBondContact N-O 3.03Å; L400-Y403 PolarHBondContact O-N 2.8Å; N401-Y403 HydrophobicContact CB-CD2 4.31Å; Y403-R421 HydrophobicContact CD1-CG 4.11Å; Y403-R421 VanDerWaalsContact CD2-NH1 3.26Å; Y403-R421 HydrophobicContact CG-CG 4.04Å; Y403-R421 VanDerWaalsContact CG-NH1 3.26Å; Y403-R421 PolarHBondContact OH-NH1 3.28Å; Y403-Y422 WeakPolarHBondContact CA-O 3.31Å; Y403-D423 HydrophobicContact CD1-CB 4.06Å; Y403-D423 HydrophobicContact CE1-CB 3.84Å; Y403-D423 WeakPolarHBondContact CE1-OD2 3.34Å
404I98.3Very high97.1Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-109.8133.6172.3-60.5168.3000107.6V351 Y358 I360 R421 Y422 I424 W429V351-I404 HydrophobicContact CG1-CG1 4.27Å; V351-I404 HydrophobicContact CG2-CG2 4.12Å; Y358-I404 HydrophobicContact CD1-CD1 3.43Å; Y358-I404 VanDerWaalsContact CD1-CD1 3.43Å; Y358-I404 HydrophobicContact CD2-CD1 3.78Å; Y358-I404 HydrophobicContact CE1-CD1 3.8Å; Y358-I404 HydrophobicContact CE2-CD1 4.17Å; Y358-I404 HydrophobicContact CG-CD1 3.41Å; Y358-I404 VanDerWaalsContact CG-CD1 3.41Å; I360-I404 HydrophobicContact CD1-CG2 4.16Å; I360-I404 HydrophobicContact CG1-CG2 4Å; I404-R421 CarbonylContact O-C 3.4Å; I404-R421 VanDerWaalsContact O-CA 3.26Å; I404-R421 WeakPolarHBondContact O-CA 3.43Å; I404-Y422 HydrophobicContact CD1-CD1 4.35Å; I404-Y422 PolarHBondContact N-O 2.85Å; I404-Y422 VanDerWaalsContact N-O 3.12Å; I404-Y422 PolarHBondContact O-N 3.42Å; I404-I424 HydrophobicContact CD1-CD1 4.24Å; I404-I424 HydrophobicContact CD1-CG1 4.34Å; I404-I424 HydrophobicContact CG1-CD1 4.22Å; I404-I424 HydrophobicContact CG1-CG1 4.46Å; I404-W429 HydrophobicContact CG2-CH2 4.49Å
405Y98.6Very high97.1Very high4 Ų438.1 Ų38.12%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-111.2133.4179.5-67.1-104.4000109.5A397 C398 L400 V419 E420 R421 V432 I451 Y469A397-Y405 VanDerWaalsContact CA-O 3.24Å; A397-Y405 WeakPolarHBondContact CA-O 3.45Å; C398-Y405 PolarHBondContact N-O 3.06Å; C398-Y405 PolarHBondContact O-N 2.97Å; L400-Y405 HydrophobicContact CB-CD2 4.48Å; L400-Y405 HydrophobicContact CB-CE2 3.94Å; Y405-V419 HydrophobicContact CD1-CG1 4.19Å; Y405-E420 WeakPolarHBondContact CA-O 3.5Å; Y405-R421 HydrophobicContact CD1-CB 3.89Å; Y405-R421 HydrophobicContact CD1-CG 3.96Å; Y405-R421 HydrophobicContact CD2-CG 4.23Å; Y405-R421 HydrophobicContact CE1-CB 3.84Å; Y405-R421 VanDerWaalsContact CE1-CD 3.47Å; Y405-R421 HydrophobicContact CE1-CG 3.65Å; Y405-R421 HydrophobicContact CE2-CG 3.93Å; Y405-R421 HydrophobicContact CG-CB 4.45Å; Y405-R421 HydrophobicContact CG-CG 4.26Å; Y405-R421 WeakPolarHBondContact OH-CD 3.35Å; Y405-V432 HydrophobicContact CE1-CG1 4.42Å; Y405-I451 HydrophobicContact CD1-CD1 3.67Å; Y405-I451 HydrophobicContact CD2-CD1 3.45Å; Y405-I451 VanDerWaalsContact CD2-CD1 3.45Å; Y405-I451 HydrophobicContact CE1-CD1 3.87Å; Y405-I451 HydrophobicContact CE2-CD1 3.67Å; Y405-I451 HydrophobicContact CG-CD1 3.45Å; Y405-I451 VanDerWaalsContact CG-CD1 3.45Å; Y405-Y469 HydrophobicContact CE1-CD1 4.47Å; Y405-Y469 AromaticContact CE1-CE1 3.8Å; Y405-Y469 HydrophobicContact CE1-CE1 3.8Å
406A98.7Very high97.2Very high0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-108.7117.2169.200000108.3I360 M388 V395 V419 E420 W429I360-A406 HydrophobicContact CG2-CB 3.81Å; M388-A406 HydrophobicContact SD-CB 3.34Å; M388-A406 WeakPolarHBondContact SD-CB 3.49Å; V395-A406 HydrophobicContact CG2-CB 4.21Å; A406-V419 WeakPolarHBondContact O-CA 3.49Å; A406-E420 HydrophobicContact CB-CG 4Å; A406-E420 PolarHBondContact N-O 2.82Å; A406-E420 PolarHBondContact O-N 3.12Å; A406-W429 HydrophobicContact CB-CH2 4Å; A406-W429 HydrophobicContact CB-CZ3 3.79Å
407I98.8Very high97.2Very high1 Ų143.9 Ų43.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-121.5122.8-163.2-58162.2000108.9C396 V419 M435 A444 I451 V453C396-I407 HydrophobicContact CB-CB 4.21Å; C396-I407 PolarHBondContact N-O 3.4Å; C396-I407 VanDerWaalsContact N-O 3.16Å; C396-I407 PolarHBondContact O-N 2.77Å; I407-V419 HydrophobicContact CB-CG1 4.48Å; I407-V419 HydrophobicContact CB-CG2 4.37Å; I407-V419 HydrophobicContact CG1-CG1 3.77Å; I407-V419 HydrophobicContact CG1-CG2 4.41Å; I407-V419 HydrophobicContact CG2-CG2 3.95Å; I407-M435 HydrophobicContact CG2-CE 3.79Å; I407-M435 HydrophobicContact CG2-SD 3.53Å; I407-M435 VanDerWaalsContact CG2-SD 3.53Å; I407-A444 HydrophobicContact CD1-CB 3.85Å; I407-I451 HydrophobicContact CD1-CG2 3.71Å; I407-V453 HydrophobicContact CD1-CG2 4.17Å; I407-V453 HydrophobicContact CG2-CG1 4.26Å; I407-V453 HydrophobicContact CG2-CG2 3.62Å
408G98.7Very high97.3Very high0 Ų044.1 Ų44.10%022%0.22CC..  trans59.7-139.6176.200000113.3R392 L416 S418 R439R392-G408 PolarHBondContact NH1-O 2.95Å; G408-L416 WeakPolarHBondContact CA-O 3.41Å; G408-S418 PolarHBondContact N-O 3.12Å; G408-S418 VanDerWaalsContact N-O 3.17Å; G408-R439 CarbonylContact C-O 3.59Å; G408-R439 WeakPolarHBondContact CA-O 3.33Å
409G98.5Very high97.4Very high0 Ų043.7 Ų43.70%022%0.217CC..  trans92.4-160.5-176.200000113N393 R415 L416 R439N393-G409 CarbonylContact O-C 3.57Å; N393-G409 WeakPolarHBondContact O-CA 3.48Å; G409-R415 CarbonylContact O-C 3.6Å; G409-R415 WeakPolarHBondContact O-CA 3.33Å; G409-L416 PolarHBondContact O-N 3.15Å; G409-R439 PolarHBondContact N-O 3.02Å
410H98.2Very high97.5Very high37 Ų3741.9 Ų41.917%0.17120%0.204CC..BIsolated β-bridgetrans-138136.3-179.5172.3-97.5000110.3R392 N393 Y394 G412 I414 R415R392-H410 WeakPolarHBondContact CA-O 3.28Å; N393-H410 PolarHBondContact N-O 3.1Å; N393-H410 PolarHBondContact O-N 3.21Å; N393-H410 VanDerWaalsContact OD1-CB 3.28Å; N393-H410 WeakPolarHBondContact OD1-CB 3.35Å; N393-H410 PolarHBondContact OD1-ND1 3.28Å; N393-H410 PolarHBondContact OD1-O 2.95Å; Y394-H410 HydrophobicContact CD2-CB 4.14Å; H410-G412 VanDerWaalsContact CE1-C 3.46Å; H410-G412 WeakPolarHBondContact CE1-CA 3.33Å; H410-G412 PolarHBondContact CE1-N 2.77Å; H410-G412 PolarHBondContact ND1-N 2.85Å; H410-I414 WeakPolarHBondContact CA-O 3.3Å; H410-I414 PolarHBondContact CD2-O 3.25Å; H410-R415 HydrophobicContact CB-CG 4.15Å
411N97.3Very high97.5Very high29 Ų2943.6 Ų43.616%0.15521%0.21CC..  trans-96.46.7-173.867.66.4000114.1E390 K391 K413 I414 L416E390-N411 PolarHBondContact OE2-ND2 3.36Å; E390-N411 VanDerWaalsContact OE2-ND2 3.12Å; K391-N411 HydrophobicContact CB-CB 4.18Å; K391-N411 WeakPolarHBondContact O-CA 3.41Å; K391-N411 WeakPolarHBondContact O-CB 3.39Å; N411-K413 PolarHBondContact OD1-N 2.79Å; N411-I414 PolarHBondContact N-O 3.19Å; N411-I414 VanDerWaalsContact N-O 3.09Å; N411-I414 PolarHBondContact OD1-N 2.61Å; N411-I414 PolarHBondContact OD1-O 2.79Å; N411-L416 HydrophobicContact CB-CD1 4.28Å
412G95.8Very high97.9Very high42 Ų4238 Ų3843%0.43318%0.179SC..SBendtrans94.7-8.1-173.500000113.7H410H410-G412 VanDerWaalsContact CE1-C 3.46Å; H410-G412 WeakPolarHBondContact CE1-CA 3.33Å; H410-G412 PolarHBondContact CE1-N 2.77Å; H410-G412 PolarHBondContact ND1-N 2.85Å
413K96.6Very high98.1Very high189 Ų18936.6 Ų36.682%0.82217%0.172SC*.SBendtrans-124.7-49.4175.6-63.2-178178.2-178.60112N411N411-K413 PolarHBondContact OD1-N 2.79Å
414I97.8Very high98Very high105 Ų10534.9 Ų34.954%0.53817%0.166SC..SBendtrans-134.3155-176.661.5169000110.7H410 N411 L416H410-I414 WeakPolarHBondContact CA-O 3.3Å; H410-I414 PolarHBondContact CD2-O 3.25Å; N411-I414 PolarHBondContact N-O 3.19Å; N411-I414 VanDerWaalsContact N-O 3.09Å; N411-I414 PolarHBondContact OD1-N 2.61Å; N411-I414 PolarHBondContact OD1-O 2.79Å; I414-L416 HydrophobicContact CD1-CD2 4.25Å; I414-L416 HydrophobicContact CG1-CD2 4.07Å
415R98.4Very high97.9Very high79 Ų7942.1 Ų42.130%0.29820%0.2SC..BIsolated β-bridgetrans-80.2148.7167.6-69.8174.9172.286.53.3109.4G409 H410 V438 S440 F457 D458 G459G409-R415 CarbonylContact O-C 3.6Å; G409-R415 WeakPolarHBondContact O-CA 3.33Å; H410-R415 HydrophobicContact CB-CG 4.15Å; R415-V438 HydrophobicContact CB-CG1 3.3Å; R415-V438 WeakPolarHBondContact O-CG1 3.3Å; R415-S440 VanDerWaalsContact CD-OG 3.27Å; R415-S440 WeakPolarHBondContact CD-OG 3.47Å; R415-S440 PolarHBondContact NE-OG 2.95Å; R415-F457 WeakPolarHBondContact CD-O 3.35Å; R415-F457 VanDerWaalsContact NH2-CE1 3.34Å; R415-D458 WeakPolarHBondContact CD-O 3.45Å; R415-G459 VanDerWaalsContact NH1-CA 3.28Å
416L98.7Very high97.8Very high8 Ų847.4 Ų47.44%0.04223%0.225CC..  trans-111.7141.4-167.4-56.6176000111.1E390 R392 G408 G409 N411 I414 R439E390-L416 HydrophobicContact CB-CD1 4.12Å; E390-L416 HydrophobicContact CG-CD1 4.41Å; R392-L416 HydrophobicContact CG-CD1 3.95Å; G408-L416 WeakPolarHBondContact CA-O 3.41Å; G409-L416 PolarHBondContact O-N 3.15Å; N411-L416 HydrophobicContact CB-CD1 4.28Å; I414-L416 HydrophobicContact CD1-CD2 4.25Å; I414-L416 HydrophobicContact CG1-CD2 4.07Å; L416-R439 PolarHBondContact O-N 3.23Å
417R98.3Very high97.7Very high132 Ų13253.5 Ų53.550%0.49825%0.252SS..  trans-102.4-9.3159.665.9179.3-175.6178.20.2112.8P434 M435 Q437 V438R417-P434 HydrophobicContact CG-CB 4.13Å; R417-M435 HydrophobicContact CB-CB 4.37Å; R417-M435 WeakPolarHBondContact CD-O 3.36Å; R417-M435 PolarHBondContact O-N 2.94Å; R417-Q437 VanDerWaalsContact CB-O 3.25Å; R417-Q437 WeakPolarHBondContact CB-O 3.45Å; R417-V438 HydrophobicContact CB-CG2 4.02Å; R417-V438 HydrophobicContact CG-CG2 4.38Å
418S98.7Very high97.6Very high23 Ų2358.6 Ų58.616%0.16128%0.275CS..  trans-67.2147.8-177.464.30000110.8R392 G408R392-S418 PolarHBondContact NH1-O 3.15Å; R392-S418 PolarHBondContact NH1-OG 3.13Å; R392-S418 PolarHBondContact NH2-OG 2.96Å; G408-S418 PolarHBondContact N-O 3.12Å; G408-S418 VanDerWaalsContact N-O 3.17Å
419V98.8Very high97.6Very high0 Ų059.1 Ų59.10%028%0.278CS..EExtended strand (participates in β ladder)trans-129.3134.7175.9-176.90000108Y405 A406 I407 V432 M435 W476Y405-V419 HydrophobicContact CD1-CG1 4.19Å; A406-V419 WeakPolarHBondContact O-CA 3.49Å; I407-V419 HydrophobicContact CB-CG1 4.48Å; I407-V419 HydrophobicContact CB-CG2 4.37Å; I407-V419 HydrophobicContact CG1-CG1 3.77Å; I407-V419 HydrophobicContact CG1-CG2 4.41Å; I407-V419 HydrophobicContact CG2-CG2 3.95Å; V419-V432 HydrophobicContact CB-CG2 3.67Å; V419-V432 HydrophobicContact CG1-CG2 3.55Å; V419-V432 PolarHBondContact O-N 3.15Å; V419-M435 HydrophobicContact CG2-CE 4.48Å; V419-M435 HydrophobicContact CG2-CG 3.97Å; V419-W476 HydrophobicContact CB-CZ2 4.42Å; V419-W476 HydrophobicContact CG1-CZ2 4.39Å; V419-W476 HydrophobicContact CG2-CZ2 3.76Å
420E98.6Very high97.6Very high0 Ų062.6 Ų62.60%029%0.293CS..EExtended strand (participates in β ladder)trans-128.5147.5174.961.3-170.412100110.3M388 H389 E390 R392 Y405 A406 W429 F430 F431M388-E420 WeakPolarHBondContact CA-OE2 3.41Å; M388-E420 WeakPolarHBondContact CB-OE2 3.32Å; M388-E420 HydrophobicContact CG-CG 4.38Å; M388-E420 HydrophobicContact SD-CG 4.47Å; H389-E420 IonicContact CD2-OE2 3.79Å; H389-E420 PolarHBondContact CD2-OE2 3.36Å; H389-E420 IonicContact CG-OE2 3.44Å; H389-E420 PolarHBondContact N-OE2 2.75Å; E390-E420 PolarHBondContact N-OE1 3.46Å; R392-E420 IonicContact CZ-OE1 3.49Å; R392-E420 VanDerWaalsContact CZ-OE1 3.25Å; R392-E420 IonicContact NE-OE1 3.84Å; R392-E420 PolarHBondContact NE-OE1 2.86Å; R392-E420 IonicContact NH2-OE1 3.46Å; R392-E420 PolarHBondContact NH2-OE1 3.01Å; Y405-E420 WeakPolarHBondContact CA-O 3.5Å; A406-E420 HydrophobicContact CB-CG 4Å; A406-E420 PolarHBondContact N-O 2.82Å; A406-E420 PolarHBondContact O-N 3.12Å; E420-W429 HydrophobicContact CB-CE3 4.14Å; E420-W429 HydrophobicContact CG-CE3 3.67Å; E420-W429 HydrophobicContact CG-CZ3 3.98Å; E420-F430 CarbonylContact C-O 3.55Å; E420-F430 WeakPolarHBondContact CA-O 3.2Å; E420-F431 HydrophobicContact CB-CD1 4.02Å; E420-F431 HydrophobicContact CB-CE1 4.26Å
421R98.3Very high97.6Very high50 Ų5065.9 Ų65.919%0.18931%0.307CS..EExtended strand (participates in β ladder)trans-123.3125.4-172-177.6-172.666.6128.72.7109.5Y403 I404 Y405 W429 F430 V432Y403-R421 HydrophobicContact CD1-CG 4.11Å; Y403-R421 VanDerWaalsContact CD2-NH1 3.26Å; Y403-R421 HydrophobicContact CG-CG 4.04Å; Y403-R421 VanDerWaalsContact CG-NH1 3.26Å; Y403-R421 PolarHBondContact OH-NH1 3.28Å; I404-R421 CarbonylContact O-C 3.4Å; I404-R421 VanDerWaalsContact O-CA 3.26Å; I404-R421 WeakPolarHBondContact O-CA 3.43Å; Y405-R421 HydrophobicContact CD1-CB 3.89Å; Y405-R421 HydrophobicContact CD1-CG 3.96Å; Y405-R421 HydrophobicContact CD2-CG 4.23Å; Y405-R421 HydrophobicContact CE1-CB 3.84Å; Y405-R421 VanDerWaalsContact CE1-CD 3.47Å; Y405-R421 HydrophobicContact CE1-CG 3.65Å; Y405-R421 HydrophobicContact CE2-CG 3.93Å; Y405-R421 HydrophobicContact CG-CB 4.45Å; Y405-R421 HydrophobicContact CG-CG 4.26Å; Y405-R421 WeakPolarHBondContact OH-CD 3.35Å; R421-W429 WeakPolarHBondContact O-CA 3.49Å; R421-F430 PolarHBondContact N-O 2.95Å; R421-F430 PolarHBondContact O-N 3.05Å; R421-V432 HydrophobicContact CB-CG1 3.89Å
422Y98.7Very high97.7Very high3 Ų365.4 Ų65.41%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-87.8123.4172.6-173.3-108.2000110.3Y358 L372 L385 Y403 I404 I424 K427 Q428 W429Y358-Y422 HydrophobicContact CE1-CE1 4.4Å; L372-Y422 HydrophobicContact CD2-CD1 3.87Å; L372-Y422 HydrophobicContact CD2-CD2 3.75Å; L372-Y422 HydrophobicContact CD2-CE1 3.79Å; L372-Y422 HydrophobicContact CD2-CE2 3.66Å; L372-Y422 HydrophobicContact CD2-CG 3.84Å; L385-Y422 HydrophobicContact CD1-CE1 4.38Å; Y403-Y422 WeakPolarHBondContact CA-O 3.31Å; I404-Y422 HydrophobicContact CD1-CD1 4.35Å; I404-Y422 PolarHBondContact N-O 2.85Å; I404-Y422 VanDerWaalsContact N-O 3.12Å; I404-Y422 PolarHBondContact O-N 3.42Å; Y422-I424 HydrophobicContact CD1-CG1 4.07Å; Y422-I424 HydrophobicContact CE1-CG1 4.29Å; Y422-K427 VanDerWaalsContact OH-CA 3.26Å; Y422-K427 WeakPolarHBondContact OH-CA 3.26Å; Y422-K427 WeakPolarHBondContact OH-CB 3.44Å; Y422-Q428 WeakPolarHBondContact CA-O 3.19Å; Y422-Q428 WeakPolarHBondContact CD2-O 3.28Å; Y422-W429 AromaticContact CD2-CD1 3.61Å; Y422-W429 AromaticContact CD2-CD2 3.87Å; Y422-W429 HydrophobicContact CD2-CD2 3.87Å; Y422-W429 AromaticContact CD2-CE2 3.6Å; Y422-W429 AromaticContact CD2-CG 3.9Å; Y422-W429 HydrophobicContact CD2-CG 3.9Å; Y422-W429 HydrophobicContact CD2-CZ2 4.24Å; Y422-W429 AromaticContact CD2-NE1 3.4Å; Y422-W429 AromaticContact CE2-NE1 3.98Å; Y422-W429 HydrophobicContact CG-CD2 4.25Å; Y422-W429 AromaticContact CG-CE2 3.98Å; Y422-W429 HydrophobicContact CG-CZ2 4.21Å; Y422-W429 VanDerWaalsContact N-CE3 3.31Å
423D97.6Very high97.8Very high5 Ų564.7 Ų64.73%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-84114.9166.8-174.3-35.8000109.3Y403 E425 Q426 K427 Q428 F430Y403-D423 HydrophobicContact CD1-CB 4.06Å; Y403-D423 HydrophobicContact CE1-CB 3.84Å; Y403-D423 WeakPolarHBondContact CE1-OD2 3.34Å; D423-E425 VanDerWaalsContact C-N 3.28Å; D423-E425 PolarHBondContact O-N 3.1Å; D423-E425 WeakPolarHBondContact OD1-CA 3.47Å; D423-E425 WeakPolarHBondContact OD1-CB 3.47Å; D423-E425 PolarHBondContact OD1-N 3.09Å; D423-Q426 HydrophobicContact CB-CB 3.99Å; D423-Q426 HydrophobicContact CB-CG 4.37Å; D423-Q426 PolarHBondContact OD1-N 2.93Å; D423-Q426 WeakPolarHBondContact OD2-CG 3.2Å; D423-Q426 PolarHBondContact OD2-NE2 2.8Å; D423-K427 VanDerWaalsContact O-CA 3.25Å; D423-K427 WeakPolarHBondContact O-CA 3.5Å; D423-K427 PolarHBondContact O-N 3.46Å; D423-Q428 PolarHBondContact N-O 3.33Å; D423-Q428 PolarHBondContact O-N 2.74Å; D423-F430 HydrophobicContact CB-CE2 4.31Å
424I95.5Very high97.9Very high25 Ų2558.7 Ų58.713%0.12827%0.273CS..THydrogen-bonded Turntrans-66.2-32.2-177-64.5175.7000111.5H353 N402 I404 Y422H353-I424 HydrophobicContact CB-CD1 4.34Å; N402-I424 WeakPolarHBondContact O-CD1 3.25Å; N402-I424 WeakPolarHBondContact O-CG1 3.13Å; I404-I424 HydrophobicContact CD1-CD1 4.24Å; I404-I424 HydrophobicContact CD1-CG1 4.34Å; I404-I424 HydrophobicContact CG1-CD1 4.22Å; I404-I424 HydrophobicContact CG1-CG1 4.46Å; Y422-I424 HydrophobicContact CD1-CG1 4.07Å; Y422-I424 HydrophobicContact CE1-CG1 4.29Å
425E94.8Very high98Very high152 Ų15253.8 Ų53.871%0.7125%0.248SC*.THydrogen-bonded Turntrans-79.1-48.3-179.7-71.5177.9-170.600111.2N402 D423 K427N402-E425 WeakPolarHBondContact ND2-CG 3.33Å; N402-E425 PolarHBondContact ND2-OE1 3.48Å; D423-E425 VanDerWaalsContact C-N 3.28Å; D423-E425 PolarHBondContact O-N 3.1Å; D423-E425 WeakPolarHBondContact OD1-CA 3.47Å; D423-E425 WeakPolarHBondContact OD1-CB 3.47Å; D423-E425 PolarHBondContact OD1-N 3.09Å; E425-K427 VanDerWaalsContact C-N 3.27Å; E425-K427 PolarHBondContact O-N 3.26Å
426Q96.3Very high98Very high115 Ų11555.1 Ų55.154%0.53726%0.258SS..THydrogen-bonded Turntrans-76-16.9178.9-60.5-177.644.800113.1D423 Q428D423-Q426 HydrophobicContact CB-CB 3.99Å; D423-Q426 HydrophobicContact CB-CG 4.37Å; D423-Q426 PolarHBondContact OD1-N 2.93Å; D423-Q426 WeakPolarHBondContact OD2-CG 3.2Å; D423-Q426 PolarHBondContact OD2-NE2 2.8Å; Q426-Q428 VanDerWaalsContact C-N 3.3Å; Q426-Q428 PolarHBondContact O-N 2.87Å
427K96.6Very high97.9Very high129 Ų12957.5 Ų57.556%0.56127%0.269SS*.THydrogen-bonded Turntrans5838.7-178.6-55.7172.9-175.2166.40113.4S386 Y422 D423 E425S386-K427 VanDerWaalsContact CB-O 3.31Å; S386-K427 WeakPolarHBondContact CB-O 3.4Å; S386-K427 PolarHBondContact OG-O 2.78Å; Y422-K427 VanDerWaalsContact OH-CA 3.26Å; Y422-K427 WeakPolarHBondContact OH-CA 3.26Å; Y422-K427 WeakPolarHBondContact OH-CB 3.44Å; D423-K427 VanDerWaalsContact O-CA 3.25Å; D423-K427 WeakPolarHBondContact O-CA 3.5Å; D423-K427 PolarHBondContact O-N 3.46Å; E425-K427 VanDerWaalsContact C-N 3.27Å; E425-K427 PolarHBondContact O-N 3.26Å
428Q97.6Very high97.9Very high107 Ų10753.4 Ų53.450%0.526%0.258SS..EExtended strand (participates in β ladder)trans-138.5154.5-177.8-71.7-171.5-5.200111.8Y422 D423 Q426 F430Y422-Q428 WeakPolarHBondContact CA-O 3.19Å; Y422-Q428 WeakPolarHBondContact CD2-O 3.28Å; D423-Q428 PolarHBondContact N-O 3.33Å; D423-Q428 PolarHBondContact O-N 2.74Å; Q426-Q428 VanDerWaalsContact C-N 3.3Å; Q426-Q428 PolarHBondContact O-N 2.87Å; Q428-F430 HydrophobicContact CB-CE2 3.83Å; Q428-F430 HydrophobicContact CB-CZ 4.06Å
429W98.6Very high97.9Very high12 Ų1252.4 Ų52.45%0.04525%0.251CS..EExtended strand (participates in β ladder)trans-97.1138.6175.6-69.293000110.8I360 L372 S386 P387 M388 H389 I404 A406 E420 R421 Y422I360-W429 HydrophobicContact CG2-CH2 3.99Å; I360-W429 HydrophobicContact CG2-CZ2 4.47Å; L372-W429 HydrophobicContact CB-CZ2 4.12Å; L372-W429 HydrophobicContact CD1-CZ2 4.02Å; L372-W429 HydrophobicContact CD2-CZ2 3.74Å; L372-W429 HydrophobicContact CG-CZ2 4.16Å; S386-W429 PolarHBondContact O-NE1 3.38Å; P387-W429 VanDerWaalsContact C-CD1 3.41Å; M388-W429 HydrophobicContact CG-CD2 3.74Å; M388-W429 VanDerWaalsContact CG-CE2 3.43Å; M388-W429 HydrophobicContact CG-CE3 4Å; M388-W429 HydrophobicContact CG-CG 4.41Å; M388-W429 HydrophobicContact CG-CH2 3.72Å; M388-W429 HydrophobicContact CG-CZ2 3.41Å; M388-W429 VanDerWaalsContact CG-CZ2 3.41Å; M388-W429 HydrophobicContact CG-CZ3 4.01Å; M388-W429 HydrophobicContact SD-CH2 3.94Å; M388-W429 HydrophobicContact SD-CZ2 4.14Å; M388-W429 HydrophobicContact SD-CZ3 4.29Å; H389-W429 PolarHBondContact NE2-O 2.95Å; I404-W429 HydrophobicContact CG2-CH2 4.49Å; A406-W429 HydrophobicContact CB-CH2 4Å; A406-W429 HydrophobicContact CB-CZ3 3.79Å; E420-W429 HydrophobicContact CB-CE3 4.14Å; E420-W429 HydrophobicContact CG-CE3 3.67Å; E420-W429 HydrophobicContact CG-CZ3 3.98Å; R421-W429 WeakPolarHBondContact O-CA 3.49Å; Y422-W429 AromaticContact CD2-CD1 3.61Å; Y422-W429 AromaticContact CD2-CD2 3.87Å; Y422-W429 HydrophobicContact CD2-CD2 3.87Å; Y422-W429 AromaticContact CD2-CE2 3.6Å; Y422-W429 AromaticContact CD2-CG 3.9Å; Y422-W429 HydrophobicContact CD2-CG 3.9Å; Y422-W429 HydrophobicContact CD2-CZ2 4.24Å; Y422-W429 AromaticContact CD2-NE1 3.4Å; Y422-W429 AromaticContact CE2-NE1 3.98Å; Y422-W429 HydrophobicContact CG-CD2 4.25Å; Y422-W429 AromaticContact CG-CE2 3.98Å; Y422-W429 HydrophobicContact CG-CZ2 4.21Å; Y422-W429 VanDerWaalsContact N-CE3 3.31Å
430F98.4Very high97.9Very high73 Ų7352.4 Ų52.432%0.3225%0.251SS..EExtended strand (participates in β ladder)trans-130.1137.2174.7-60-89000109.1E420 R421 D423 Q428E420-F430 CarbonylContact C-O 3.55Å; E420-F430 WeakPolarHBondContact CA-O 3.2Å; R421-F430 PolarHBondContact N-O 2.95Å; R421-F430 PolarHBondContact O-N 3.05Å; D423-F430 HydrophobicContact CB-CE2 4.31Å; Q428-F430 HydrophobicContact CB-CE2 3.83Å; Q428-F430 HydrophobicContact CB-CZ 4.06Å
431F98.7Very high97.8Very high106 Ų10653.7 Ų53.747%0.46526%0.258SS..EExtended strand (participates in β ladder)trans-64.8144.3167.1-73.4-70.4000110.3H389 E390 E420H389-F431 HydrophobicContact CB-CE1 4.42Å; H389-F431 HydrophobicContact CB-CE2 3.65Å; H389-F431 HydrophobicContact CB-CZ 3.46Å; H389-F431 VanDerWaalsContact CB-CZ 3.46Å; H389-F431 AromaticContact CD2-CE2 3.85Å; H389-F431 AromaticContact CG-CE2 3.69Å; E390-F431 HydrophobicContact CG-CE1 4.46Å; E390-F431 HydrophobicContact CG-CZ 4.31Å; E420-F431 HydrophobicContact CB-CD1 4.02Å; E420-F431 HydrophobicContact CB-CE1 4.26Å
432V98.6Very high97.9Very high18 Ų1851.9 Ų51.911%0.10925%0.254CS..EExtended strand (participates in β ladder)trans-115.3178.7165-60.70000108Y405 V419 R421Y405-V432 HydrophobicContact CE1-CG1 4.42Å; V419-V432 HydrophobicContact CB-CG2 3.67Å; V419-V432 HydrophobicContact CG1-CG2 3.55Å; V419-V432 PolarHBondContact O-N 3.15Å; R421-V432 HydrophobicContact CB-CG1 3.89Å
433S98.7Very high97.8Very high27 Ų2752.1 Ų52.119%0.18926%0.257CS..PPolyproline II helixtrans-51.8134.9176.1-78.90000111.6D474 W476S433-D474 WeakPolarHBondContact CB-O 3.4Å; S433-D474 VanDerWaalsContact CB-OD1 3.32Å; S433-D474 WeakPolarHBondContact CB-OD1 3.23Å; S433-D474 PolarHBondContact N-OD1 3.37Å; S433-D474 PolarHBondContact OG-O 3.07Å; S433-D474 PolarHBondContact OG-OD1 2.88Å; S433-W476 PolarHBondContact O-NE1 2.88Å
434P98.8Very high97.8Very high63 Ų6352.6 Ų52.641%0.40926%0.261SS..PPolyproline II helixtrans-71154.1176.130.9-34.6000110.7R417R417-P434 HydrophobicContact CG-CB 4.13Å
435M98.7Very high98Very high2 Ų254 Ų541%0.0127%0.267CS..PPolyproline II helixtrans-60.9158.9167.5-65.3179.3-62.700110.6I407 R417 V419 Q437 R439 V453 W476I407-M435 HydrophobicContact CG2-CE 3.79Å; I407-M435 HydrophobicContact CG2-SD 3.53Å; I407-M435 VanDerWaalsContact CG2-SD 3.53Å; R417-M435 HydrophobicContact CB-CB 4.37Å; R417-M435 WeakPolarHBondContact CD-O 3.36Å; R417-M435 PolarHBondContact O-N 2.94Å; V419-M435 HydrophobicContact CG2-CE 4.48Å; V419-M435 HydrophobicContact CG2-CG 3.97Å; M435-Q437 WeakPolarHBondContact CB-O 3.38Å; M435-R439 HydrophobicContact CE-CB 4.07Å; M435-R439 HydrophobicContact CE-CG 4.33Å; M435-V453 HydrophobicContact SD-CB 4.08Å; M435-V453 HydrophobicContact SD-CG1 3.82Å; M435-V453 HydrophobicContact SD-CG2 3.95Å; M435-W476 HydrophobicContact CG-CD2 3.9Å; M435-W476 HydrophobicContact CG-CE3 4.07Å; M435-W476 HydrophobicContact CG-CH2 3.98Å; M435-W476 HydrophobicContact CG-CZ2 3.82Å; M435-W476 HydrophobicContact CG-CZ3 4.1Å; M435-W476 HydrophobicContact SD-CH2 4.39Å
436H98.3Very high98.1Very high107 Ų10748.3 Ų48.350%0.49524%0.244SC..SBendtrans-67.4-44.3172.3-66-64.2000110.9E467 W476H436-E467 WeakPolarHBondContact CB-OE2 3.26Å; H436-E467 IonicContact CD2-OE2 3.88Å; H436-E467 PolarHBondContact CD2-OE2 2.84Å; H436-E467 IonicContact CG-OE2 3.41Å; H436-E467 PolarHBondContact N-OE2 2.99Å; H436-W476 PolarHBondContact NE2-O 3.07Å
437Q97.7Very high98.2Very high59 Ų5943.2 Ų43.228%0.27622%0.22SC..SBendtrans-101.6151-178.5-59-173.1-8.700112.5R417 M435 R439 H463 S465 E467R417-Q437 VanDerWaalsContact CB-O 3.25Å; R417-Q437 WeakPolarHBondContact CB-O 3.45Å; M435-Q437 WeakPolarHBondContact CB-O 3.38Å; Q437-R439 HydrophobicContact CB-CG 4.42Å; Q437-R439 VanDerWaalsContact OE1-NH2 3.14Å; Q437-H463 PolarHBondContact OE1-CE1 3.24Å; Q437-H463 PolarHBondContact OE1-ND1 3.21Å; Q437-S465 PolarHBondContact OE1-OG 2.96Å; Q437-E467 WeakPolarHBondContact CB-OE1 3.33Å; Q437-E467 PolarHBondContact N-OE1 3.04Å
438V98.7Very high98.1Very high46 Ų4641 Ų4128%0.27922%0.221SC..  trans-79.1129.7171.6172.90000108.6R415 R417 D458 H463R415-V438 HydrophobicContact CB-CG1 3.3Å; R415-V438 WeakPolarHBondContact O-CG1 3.3Å; R417-V438 HydrophobicContact CB-CG2 4.02Å; R417-V438 HydrophobicContact CG-CG2 4.38Å; V438-D458 HydrophobicContact CB-CB 4.11Å; V438-D458 HydrophobicContact CG1-CB 4.37Å; V438-D458 WeakPolarHBondContact O-CA 3.46Å; V438-D458 WeakPolarHBondContact O-CB 3.09Å; V438-H463 PolarHBondContact O-NE2 3.41Å
439R98.6Very high98Very high2 Ų237.9 Ų37.91%0.00822%0.218CC..  trans-142.2116-174.3-59177.5-173.2-96.4-1.2111.6G408 G409 L416 M435 Q437 A442 G455 S465 E467G408-R439 CarbonylContact C-O 3.59Å; G408-R439 WeakPolarHBondContact CA-O 3.33Å; G409-R439 PolarHBondContact N-O 3.02Å; L416-R439 PolarHBondContact O-N 3.23Å; M435-R439 HydrophobicContact CE-CB 4.07Å; M435-R439 HydrophobicContact CE-CG 4.33Å; Q437-R439 HydrophobicContact CB-CG 4.42Å; Q437-R439 VanDerWaalsContact OE1-NH2 3.14Å; R439-A442 HydrophobicContact CB-CB 4.14Å; R439-G455 WeakPolarHBondContact CD-O 3.05Å; R439-G455 PolarHBondContact NH1-O 3.38Å; R439-S465 PolarHBondContact NH1-O 3Å; R439-S465 PolarHBondContact NH1-OG 2.93Å; R439-S465 VanDerWaalsContact NH1-OG 3.13Å; R439-S465 PolarHBondContact NH2-OG 2.99Å; R439-E467 IonicContact CZ-OE1 3.1Å; R439-E467 IonicContact NE-OE1 2.86Å; R439-E467 PolarHBondContact NE-OE1 3.37Å; R439-E467 IonicContact NH2-OE1 3.22Å; R439-E467 PolarHBondContact NH2-OE1 2.94Å
440S98.3Very high98Very high0 Ų040 Ų400%023%0.226CC..BIsolated β-bridgetrans-104.1156.7155.361.10000109.9R415 A442 G456 F457R415-S440 VanDerWaalsContact CD-OG 3.27Å; R415-S440 WeakPolarHBondContact CD-OG 3.47Å; R415-S440 PolarHBondContact NE-OG 2.95Å; S440-A442 PolarHBondContact O-N 3.33Å; S440-A442 VanDerWaalsContact O-N 3.07Å; S440-G456 CarbonylContact O-C 3.51Å; S440-G456 VanDerWaalsContact O-CA 3.23Å; S440-G456 WeakPolarHBondContact O-CA 3.41Å; S440-F457 PolarHBondContact N-O 3.29Å; S440-F457 PolarHBondContact O-N 3.26Å; S440-F457 PolarHBondContact OG-O 2.77Å
441D97.5Very high98Very high26 Ų2636.6 Ų36.614%0.13921%0.211CC..SBendtrans5825174.6-79.9-44.5000113.8Y394 S487 G488 N535Y394-D441 VanDerWaalsContact CD1-CG 3.41Å; Y394-D441 WeakPolarHBondContact CD1-OD1 3.46Å; Y394-D441 WeakPolarHBondContact CD1-OD2 3.49Å; Y394-D441 PolarHBondContact O-N 3.04Å; Y394-D441 VanDerWaalsContact O-N 3.17Å; D441-S487 VanDerWaalsContact CB-OG 3.24Å; D441-S487 WeakPolarHBondContact CB-OG 3.35Å; D441-G488 WeakPolarHBondContact O-CA 3.35Å; D441-G488 PolarHBondContact O-N 2.92Å; D441-N535 PolarHBondContact OD1-OD1 3.42Å
442A98.5Very high98Very high13 Ų1331.9 Ų31.911%0.10719%0.19CC..  trans-77.2169.9168.100000110.4C396 R439 S440 V453 V454 G455C396-A442 PolarHBondContact SG-O 3.43Å; R439-A442 HydrophobicContact CB-CB 4.14Å; S440-A442 PolarHBondContact O-N 3.33Å; S440-A442 VanDerWaalsContact O-N 3.07Å; A442-V453 HydrophobicContact CB-CG1 3.85Å; A442-V454 WeakPolarHBondContact CB-O 3.3Å; A442-G455 WeakPolarHBondContact CB-O 3.32Å
443G98.1Very high98Very high7 Ų731 Ų317%0.07219%0.185CC..EExtended strand (participates in β ladder)trans-108.2147.8163.500000110.5V453 V454G443-V453 CarbonylContact O-C 3.57Å; G443-V453 WeakPolarHBondContact O-CA 3.15Å; G443-V454 PolarHBondContact N-O 2.98Å; G443-V454 PolarHBondContact O-N 2.93Å
444A98.1Very high98.1Very high15 Ų1529.8 Ų29.812%0.12418%0.176CC..EExtended strand (participates in β ladder)trans-139145.8176.100000112.1C396 I407 Y452 V453C396-A444 HydrophobicContact CB-CB 3.56Å; I407-A444 HydrophobicContact CD1-CB 3.85Å; A444-Y452 CarbonylContact C-O 3.46Å; A444-Y452 WeakPolarHBondContact CA-O 3.48Å; A444-Y452 WeakPolarHBondContact CB-O 3.27Å; A444-V453 HydrophobicContact CB-CG2 4.12Å
445H98.1Very high98.1Very high55 Ų5526.8 Ų26.826%0.25516%0.156SC..EExtended strand (participates in β ladder)trans-152145.5174.6-156.1-75.2000111.2Y452 V491 V493 L498H445-Y452 PolarHBondContact N-O 3.19Å; H445-Y452 PolarHBondContact O-N 3.48Å; H445-V491 HydrophobicContact CB-CG1 4Å; H445-V493 HydrophobicContact CB-CG2 4.33Å; H445-V493 VanDerWaalsContact ND1-CG2 3.31Å; H445-V493 WeakPolarHBondContact ND1-CG2 3.44Å; H445-L498 HydrophobicContact CB-CD1 3.97Å
446S97.6Very high98Very high32 Ų3226.7 Ų26.722%0.22416%0.156CC..EExtended strand (participates in β ladder)trans-75.2132.517059.50000110.3S399 Y450S399-S446 WeakPolarHBondContact O-CB 3.39Å; S399-S446 PolarHBondContact O-OG 3.17Å; S399-S446 VanDerWaalsContact O-OG 3.07Å; S446-Y450 CarbonylContact C-O 3.6Å; S446-Y450 VanDerWaalsContact CA-O 3.26Å; S446-Y450 WeakPolarHBondContact CA-O 3.42Å
447F97.5Very high98.1Very high9 Ų923.3 Ų23.34%0.03914%0.14CC..EExtended strand (participates in β ladder)trans-148125.7-178.7-176.5-150.3000110.9G449 Y450 Y452 V493 H496 L498 P518F447-G449 PolarHBondContact O-N 3.11Å; F447-G449 VanDerWaalsContact O-N 3.12Å; F447-Y450 PolarHBondContact N-O 3.07Å; F447-Y450 PolarHBondContact O-N 3.32Å; F447-Y452 HydrophobicContact CB-CD2 3.72Å; F447-Y452 HydrophobicContact CB-CE2 3.75Å; F447-Y452 HydrophobicContact CD1-CD2 4.21Å; F447-Y452 AromaticContact CD1-CE2 3.82Å; F447-Y452 HydrophobicContact CD1-CE2 3.82Å; F447-Y452 HydrophobicContact CG-CD2 4.5Å; F447-Y452 HydrophobicContact CG-CE2 4.22Å; F447-V493 HydrophobicContact CB-CG2 3.65Å; F447-V493 HydrophobicContact CD1-CG2 4.41Å; F447-V493 HydrophobicContact CD2-CB 4.45Å; F447-V493 HydrophobicContact CD2-CG1 3.67Å; F447-V493 HydrophobicContact CD2-CG2 3.84Å; F447-V493 HydrophobicContact CE2-CG1 3.94Å; F447-V493 HydrophobicContact CG-CG1 4.39Å; F447-V493 HydrophobicContact CG-CG2 3.71Å; F447-H496 VanDerWaalsContact CZ-O 3.24Å; F447-H496 WeakPolarHBondContact CZ-O 3.3Å; F447-L498 HydrophobicContact CD1-CB 4.02Å; F447-L498 HydrophobicContact CE1-CB 4.19Å; F447-P518 HydrophobicContact CE1-CB 3.99Å; F447-P518 HydrophobicContact CE1-CG 3.52Å; F447-P518 HydrophobicContact CZ-CB 4.46Å; F447-P518 HydrophobicContact CZ-CG 3.54Å
448S94.7Very high98Very high83 Ų8322.6 Ų22.658%0.5814%0.138SC*.THydrogen-bonded Turntrans50.836.9177.4-60.60000114.8Y450S448-Y450 WeakPolarHBondContact O-CD2 3.35Å; S448-Y450 WeakPolarHBondContact O-CE2 3.23Å
449G96.8Very high97.9Very high41 Ų4121.5 Ų21.542%0.42314%0.137SC..THydrogen-bonded Turntrans880.1179.600000115.5L400 F447 P471L400-G449 WeakPolarHBondContact CD2-O 3.39Å; F447-G449 PolarHBondContact O-N 3.11Å; F447-G449 VanDerWaalsContact O-N 3.12Å; G449-P471 WeakPolarHBondContact O-CD 3.33Å
450Y98.3Very high97.8Very high57 Ų5728 Ų2822%0.22417%0.171CC..EExtended strand (participates in β ladder)trans-115.4171.1177.7-55.4-88000110.7S446 F447 S448 M468 Y469 D470 R472S446-Y450 CarbonylContact C-O 3.6Å; S446-Y450 VanDerWaalsContact CA-O 3.26Å; S446-Y450 WeakPolarHBondContact CA-O 3.42Å; F447-Y450 PolarHBondContact N-O 3.07Å; F447-Y450 PolarHBondContact O-N 3.32Å; S448-Y450 WeakPolarHBondContact O-CD2 3.35Å; S448-Y450 WeakPolarHBondContact O-CE2 3.23Å; Y450-M468 HydrophobicContact CD1-CE 3.96Å; Y450-M468 HydrophobicContact CD1-CG 4.16Å; Y450-M468 HydrophobicContact CD1-SD 3.86Å; Y450-M468 HydrophobicContact CD2-SD 4.25Å; Y450-M468 HydrophobicContact CE1-CE 4.13Å; Y450-M468 HydrophobicContact CE1-SD 4.39Å; Y450-M468 HydrophobicContact CG-CE 4.5Å; Y450-M468 HydrophobicContact CG-CG 4.06Å; Y450-M468 HydrophobicContact CG-SD 3.8Å; Y450-Y469 WeakPolarHBondContact CA-O 3.45Å; Y450-Y469 WeakPolarHBondContact CB-O 3.1Å; Y450-D470 HydrophobicContact CD1-CB 3.86Å; Y450-D470 HydrophobicContact CE1-CB 3.8Å; Y450-R472 PolarHBondContact OH-NH2 2.73Å
451I98.7Very high97.8Very high0 Ų033.7 Ų33.70%020%0.198CC..EExtended strand (participates in β ladder)trans-112.8132.1167.3-64.1170.5000108.2C398 L400 Y405 I407 V453 M468 Y469 W476C398-I451 VanDerWaalsContact SG-CG2 3.6Å; L400-I451 HydrophobicContact CB-CD1 4.26Å; L400-I451 HydrophobicContact CB-CG1 4.23Å; L400-I451 HydrophobicContact CD2-CD1 4.23Å; L400-I451 HydrophobicContact CD2-CG1 3.84Å; Y405-I451 HydrophobicContact CD1-CD1 3.67Å; Y405-I451 HydrophobicContact CD2-CD1 3.45Å; Y405-I451 VanDerWaalsContact CD2-CD1 3.45Å; Y405-I451 HydrophobicContact CE1-CD1 3.87Å; Y405-I451 HydrophobicContact CE2-CD1 3.67Å; Y405-I451 HydrophobicContact CG-CD1 3.45Å; Y405-I451 VanDerWaalsContact CG-CD1 3.45Å; I407-I451 HydrophobicContact CD1-CG2 3.71Å; I451-V453 HydrophobicContact CG2-CG2 4.37Å; I451-M468 CarbonylContact O-C 3.59Å; I451-M468 VanDerWaalsContact O-CA 3.29Å; I451-M468 WeakPolarHBondContact O-CA 3.06Å; I451-Y469 HydrophobicContact CB-CD1 4.44Å; I451-Y469 HydrophobicContact CD1-CD1 4.1Å; I451-Y469 HydrophobicContact CG1-CD1 4.48Å; I451-Y469 PolarHBondContact N-O 2.97Å; I451-Y469 VanDerWaalsContact N-O 3.13Å; I451-Y469 PolarHBondContact O-N 3.41Å; I451-W476 HydrophobicContact CG2-CH2 4.3Å
452Y98.8Very high97.8Very high8 Ų835.2 Ų35.23%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-109.9136.9173.4-68.5-100.6000109.6A444 H445 F447 V466 E467 M468 V479 L498 Y516A444-Y452 CarbonylContact C-O 3.46Å; A444-Y452 WeakPolarHBondContact CA-O 3.48Å; A444-Y452 WeakPolarHBondContact CB-O 3.27Å; H445-Y452 PolarHBondContact N-O 3.19Å; H445-Y452 PolarHBondContact O-N 3.48Å; F447-Y452 HydrophobicContact CB-CD2 3.72Å; F447-Y452 HydrophobicContact CB-CE2 3.75Å; F447-Y452 HydrophobicContact CD1-CD2 4.21Å; F447-Y452 AromaticContact CD1-CE2 3.82Å; F447-Y452 HydrophobicContact CD1-CE2 3.82Å; F447-Y452 HydrophobicContact CG-CD2 4.5Å; F447-Y452 HydrophobicContact CG-CE2 4.22Å; Y452-V466 HydrophobicContact CD1-CG1 4.28Å; Y452-E467 CarbonylContact C-O 3.53Å; Y452-E467 WeakPolarHBondContact CA-O 3.28Å; Y452-M468 HydrophobicContact CD1-CB 3.94Å; Y452-M468 HydrophobicContact CD1-CG 4.12Å; Y452-M468 HydrophobicContact CD2-CG 4.43Å; Y452-M468 HydrophobicContact CE1-CB 3.74Å; Y452-M468 HydrophobicContact CE1-CG 3.65Å; Y452-M468 HydrophobicContact CE1-SD 3.91Å; Y452-M468 HydrophobicContact CE2-CG 4.01Å; Y452-M468 HydrophobicContact CE2-SD 4.33Å; Y452-M468 HydrophobicContact CG-CG 4.49Å; Y452-M468 VanDerWaalsContact CZ-SD 3.58Å; Y452-M468 PolarHBondContact OH-SD 2.78Å; Y452-V479 HydrophobicContact CD1-CG2 4.39Å; Y452-V479 HydrophobicContact CE1-CG1 4.21Å; Y452-V479 HydrophobicContact CE1-CG2 4.36Å; Y452-L498 HydrophobicContact CD1-CD2 4.22Å; Y452-L498 HydrophobicContact CG-CD2 3.96Å; Y452-Y516 HydrophobicContact CE1-CD1 4.49Å; Y452-Y516 AromaticContact CE1-CE1 3.81Å; Y452-Y516 HydrophobicContact CE1-CE1 3.81Å
453V98.8Very high97.8Very high0 Ų035.4 Ų35.40%020%0.202CC..EExtended strand (participates in β ladder)trans-121.7123.1174.5-174.60000107.9I407 M435 A442 G443 A444 I451 V466 E467 W476I407-V453 HydrophobicContact CD1-CG2 4.17Å; I407-V453 HydrophobicContact CG2-CG1 4.26Å; I407-V453 HydrophobicContact CG2-CG2 3.62Å; M435-V453 HydrophobicContact SD-CB 4.08Å; M435-V453 HydrophobicContact SD-CG1 3.82Å; M435-V453 HydrophobicContact SD-CG2 3.95Å; A442-V453 HydrophobicContact CB-CG1 3.85Å; G443-V453 CarbonylContact O-C 3.57Å; G443-V453 WeakPolarHBondContact O-CA 3.15Å; A444-V453 HydrophobicContact CB-CG2 4.12Å; I451-V453 HydrophobicContact CG2-CG2 4.37Å; V453-V466 WeakPolarHBondContact O-CA 3.32Å; V453-V466 WeakPolarHBondContact O-CG1 3.37Å; V453-E467 PolarHBondContact N-O 3.18Å; V453-E467 PolarHBondContact O-N 3.07Å; V453-W476 HydrophobicContact CB-CZ3 4.3Å; V453-W476 HydrophobicContact CG2-CH2 3.54Å; V453-W476 HydrophobicContact CG2-CZ3 3.53Å
454V98.8Very high97.8Very high0 Ų038.1 Ų38.10%021%0.214CC..EExtended strand (participates in β ladder)trans-120.7123.8-165.2-1780000109.2A442 G443 V466 M482 V489 V491 L498 A500 W523A442-V454 WeakPolarHBondContact CB-O 3.3Å; G443-V454 PolarHBondContact N-O 2.98Å; G443-V454 PolarHBondContact O-N 2.93Å; V454-V466 HydrophobicContact CB-CG2 4.37Å; V454-V466 HydrophobicContact CG1-CG2 3.98Å; V454-V466 HydrophobicContact CG2-CG1 3.9Å; V454-V466 HydrophobicContact CG2-CG2 4.38Å; V454-M482 HydrophobicContact CG1-CE 3.57Å; V454-M482 HydrophobicContact CG1-CG 4.12Å; V454-M482 HydrophobicContact CG1-SD 3.2Å; V454-M482 WeakPolarHBondContact CG1-SD 3.48Å; V454-V489 WeakPolarHBondContact O-CG1 3.46Å; V454-V491 HydrophobicContact CB-CG2 3.66Å; V454-V491 HydrophobicContact CG1-CG2 4.14Å; V454-V491 HydrophobicContact CG2-CG1 4.07Å; V454-V491 HydrophobicContact CG2-CG2 3.84Å; V454-L498 HydrophobicContact CG2-CD2 3.84Å; V454-A500 HydrophobicContact CG1-CB 4.03Å; V454-W523 HydrophobicContact CG1-CH2 4.28Å
455G98.7Very high97.8Very high0 Ų038 Ų380%021%0.213CC..  trans61.9-143.8175.400000113.7R439 A442 H463 S465 R486R439-G455 WeakPolarHBondContact CD-O 3.05Å; R439-G455 PolarHBondContact NH1-O 3.38Å; A442-G455 WeakPolarHBondContact CB-O 3.32Å; G455-H463 VanDerWaalsContact CA-O 3.26Å; G455-H463 WeakPolarHBondContact CA-O 3.42Å; G455-S465 PolarHBondContact N-O 2.8Å; G455-S465 VanDerWaalsContact N-O 3.12Å; G455-R486 CarbonylContact C-O 3.33Å; G455-R486 WeakPolarHBondContact CA-O 3.31Å
456G98.6Very high97.9Very high0 Ų035.3 Ų35.30%020%0.2CC..  trans103.6-165-175.400000113S440 H463 R486S440-G456 CarbonylContact O-C 3.51Å; S440-G456 VanDerWaalsContact O-CA 3.23Å; S440-G456 WeakPolarHBondContact O-CA 3.41Å; G456-H463 PolarHBondContact O-N 2.75Å; G456-R486 PolarHBondContact N-O 3.37Å
457F98.4Very high97.9Very high36 Ų3633.8 Ų33.816%0.15819%0.19CC..BIsolated β-bridgetrans-141.5130-174.2-178.1-124.7000110.1R415 S440 G459 H461 F462R415-F457 WeakPolarHBondContact CD-O 3.35Å; R415-F457 VanDerWaalsContact NH2-CE1 3.34Å; S440-F457 PolarHBondContact N-O 3.29Å; S440-F457 PolarHBondContact O-N 3.26Å; S440-F457 PolarHBondContact OG-O 2.77Å; F457-G459 VanDerWaalsContact CE1-CA 3.44Å; F457-G459 VanDerWaalsContact CZ-CA 3.48Å; F457-G459 WeakPolarHBondContact CZ-O 3.42Å; F457-H461 WeakPolarHBondContact CA-O 3.37Å; F457-H461 WeakPolarHBondContact CD2-O 3.49Å; F457-F462 HydrophobicContact CD2-CD1 4.49Å; F457-F462 HydrophobicContact CD2-CD2 4.02Å; F457-F462 HydrophobicContact CD2-CE2 4.05Å; F457-F462 HydrophobicContact CD2-CG 4.22Å; F457-F462 HydrophobicContact CD2-CZ 4.29Å; F457-F462 HydrophobicContact CE2-CD2 4.09Å; F457-F462 AromaticContact CE2-CE2 3.85Å; F457-F462 HydrophobicContact CE2-CE2 3.85Å; F457-F462 HydrophobicContact CE2-CZ 4.31Å
458D97.5Very high98Very high44 Ų4434.9 Ų34.924%0.23520%0.195CC..  trans-90.7-11.7178.362.315.6000113.6R415 V438 D460 H461 H463R415-D458 WeakPolarHBondContact CD-O 3.45Å; V438-D458 HydrophobicContact CB-CB 4.11Å; V438-D458 HydrophobicContact CG1-CB 4.37Å; V438-D458 WeakPolarHBondContact O-CA 3.46Å; V438-D458 WeakPolarHBondContact O-CB 3.09Å; D458-D460 PolarHBondContact OD1-N 3.37Å; D458-H461 PolarHBondContact N-O 2.54Å; D458-H461 PolarHBondContact OD1-N 2.96Å; D458-H461 IonicContact OD1-ND1 3.7Å; D458-H461 IonicContact OD2-ND1 2.72Å; D458-H461 PolarHBondContact OD2-ND1 2.77Å; D458-H463 WeakPolarHBondContact CB-NE2 3.16Å; D458-H463 IonicContact OD2-CE1 3.93Å; D458-H463 PolarHBondContact OD2-CE1 2.9Å; D458-H463 IonicContact OD2-NE2 2.69Å
459G96.1Very high98.2Very high24 Ų2431.3 Ų31.325%0.24717%0.169CC..SBendtrans120.6-22.8-175.100000113.8R415 F457R415-G459 VanDerWaalsContact NH1-CA 3.28Å; F457-G459 VanDerWaalsContact CE1-CA 3.44Å; F457-G459 VanDerWaalsContact CZ-CA 3.48Å; F457-G459 WeakPolarHBondContact CZ-O 3.42Å
460D96.5Very high98.3Very high137 Ų13730.3 Ų30.373%0.73315%0.154SC*.SBendtrans-125.7-37.3-179.1-60.5-53.8000111.2D458D458-D460 PolarHBondContact OD1-N 3.37Å
461H97.3Very high98.2Very high121 Ų12129.3 Ų29.356%0.5616%0.155SC*.  trans-124.8138.6-173.2-51.493.6000112.7F457 D458F457-H461 WeakPolarHBondContact CA-O 3.37Å; F457-H461 WeakPolarHBondContact CD2-O 3.49Å; D458-H461 PolarHBondContact N-O 2.54Å; D458-H461 PolarHBondContact OD1-N 2.96Å; D458-H461 IonicContact OD1-ND1 3.7Å; D458-H461 IonicContact OD2-ND1 2.72Å; D458-H461 PolarHBondContact OD2-ND1 2.77Å
462F98.2Very high98.2Very high57 Ų5738 Ų3825%0.2519%0.188CC..BIsolated β-bridgetrans-83.9134.9167.5-65.3-106.8000108.7F457 I485 N504F457-F462 HydrophobicContact CD2-CD1 4.49Å; F457-F462 HydrophobicContact CD2-CD2 4.02Å; F457-F462 HydrophobicContact CD2-CE2 4.05Å; F457-F462 HydrophobicContact CD2-CG 4.22Å; F457-F462 HydrophobicContact CD2-CZ 4.29Å; F457-F462 HydrophobicContact CE2-CD2 4.09Å; F457-F462 AromaticContact CE2-CE2 3.85Å; F457-F462 HydrophobicContact CE2-CE2 3.85Å; F457-F462 HydrophobicContact CE2-CZ 4.31Å; F462-I485 HydrophobicContact CB-CB 4.1Å; F462-I485 HydrophobicContact CB-CD1 4.24Å; F462-I485 HydrophobicContact CB-CG1 4.39Å; F462-I485 WeakPolarHBondContact O-CG2 3.39Å; F462-N504 WeakPolarHBondContact CD1-O 3.29Å; F462-N504 HydrophobicContact CE1-CB 4.37Å
463H98.3Very high98.1Very high18 Ų1841.7 Ų41.78%0.08321%0.211CC..  trans-98.7139.9-174.5-65.2-56.4000112.9Q437 V438 G455 G456 D458 R486Q437-H463 PolarHBondContact OE1-CE1 3.24Å; Q437-H463 PolarHBondContact OE1-ND1 3.21Å; V438-H463 PolarHBondContact O-NE2 3.41Å; G455-H463 VanDerWaalsContact CA-O 3.26Å; G455-H463 WeakPolarHBondContact CA-O 3.42Å; G456-H463 PolarHBondContact O-N 2.75Å; D458-H463 WeakPolarHBondContact CB-NE2 3.16Å; D458-H463 IonicContact OD2-CE1 3.93Å; D458-H463 PolarHBondContact OD2-CE1 2.9Å; D458-H463 IonicContact OD2-NE2 2.69Å; H463-R486 PolarHBondContact O-N 2.81Å
464D98.4Very high98.1Very high63 Ų6344.5 Ų44.534%0.33723%0.226SC..  trans-98.7-16.1159.960.2-9.5000111.8P481 M482 I485D464-P481 HydrophobicContact CB-CB 4.47Å; D464-M482 HydrophobicContact CB-CB 4.27Å; D464-M482 WeakPolarHBondContact O-CB 3.19Å; D464-M482 PolarHBondContact O-N 3.48Å; D464-I485 HydrophobicContact CB-CG2 3.82Å
465S98.6Very high98.1Very high12 Ų1249.7 Ų49.78%0.08425%0.25CS..  trans-63.5148.5-177.767.50000111.9Q437 R439 G455Q437-S465 PolarHBondContact OE1-OG 2.96Å; R439-S465 PolarHBondContact NH1-O 3Å; R439-S465 PolarHBondContact NH1-OG 2.93Å; R439-S465 VanDerWaalsContact NH1-OG 3.13Å; R439-S465 PolarHBondContact NH2-OG 2.99Å; G455-S465 PolarHBondContact N-O 2.8Å; G455-S465 VanDerWaalsContact N-O 3.12Å
466V98.8Very high98.1Very high0 Ų050.2 Ų50.20%025%0.252CS..EExtended strand (participates in β ladder)trans-132.3129.6-179.1-176.90000109.2Y452 V453 V454 V479 M482 W523Y452-V466 HydrophobicContact CD1-CG1 4.28Å; V453-V466 WeakPolarHBondContact O-CA 3.32Å; V453-V466 WeakPolarHBondContact O-CG1 3.37Å; V454-V466 HydrophobicContact CB-CG2 4.37Å; V454-V466 HydrophobicContact CG1-CG2 3.98Å; V454-V466 HydrophobicContact CG2-CG1 3.9Å; V454-V466 HydrophobicContact CG2-CG2 4.38Å; V466-V479 HydrophobicContact CB-CG2 3.65Å; V466-V479 HydrophobicContact CG1-CG2 3.52Å; V466-V479 PolarHBondContact O-N 2.57Å; V466-M482 HydrophobicContact CG2-CG 4.1Å; V466-W523 HydrophobicContact CG1-CZ2 4.46Å; V466-W523 HydrophobicContact CG2-CZ2 3.79Å
467E98.8Very high98.1Very high0 Ų052.5 Ų52.50%027%0.268CS..EExtended strand (participates in β ladder)trans-113.2136.3179.6-70.6179.3-114.700110.8H436 Q437 R439 Y452 V453 W476 S477 L478H436-E467 WeakPolarHBondContact CB-OE2 3.26Å; H436-E467 IonicContact CD2-OE2 3.88Å; H436-E467 PolarHBondContact CD2-OE2 2.84Å; H436-E467 IonicContact CG-OE2 3.41Å; H436-E467 PolarHBondContact N-OE2 2.99Å; Q437-E467 WeakPolarHBondContact CB-OE1 3.33Å; Q437-E467 PolarHBondContact N-OE1 3.04Å; R439-E467 IonicContact CZ-OE1 3.1Å; R439-E467 IonicContact NE-OE1 2.86Å; R439-E467 PolarHBondContact NE-OE1 3.37Å; R439-E467 IonicContact NH2-OE1 3.22Å; R439-E467 PolarHBondContact NH2-OE1 2.94Å; Y452-E467 CarbonylContact C-O 3.53Å; Y452-E467 WeakPolarHBondContact CA-O 3.28Å; V453-E467 PolarHBondContact N-O 3.18Å; V453-E467 PolarHBondContact O-N 3.07Å; E467-W476 HydrophobicContact CB-CE3 3.76Å; E467-W476 HydrophobicContact CB-CZ3 4.22Å; E467-S477 CarbonylContact C-O 3.49Å; E467-S477 WeakPolarHBondContact CA-O 3.09Å; E467-L478 HydrophobicContact CG-CD2 3.64Å; E467-L478 HydrophobicContact CG-CG 4.45Å
468M98.7Very high98.1Very high32 Ų3255.8 Ų55.816%0.15829%0.287CS..EExtended strand (participates in β ladder)trans-113126.8176.7-176.4-167.174.300110Y450 I451 Y452 W476 S477 V479Y450-M468 HydrophobicContact CD1-CE 3.96Å; Y450-M468 HydrophobicContact CD1-CG 4.16Å; Y450-M468 HydrophobicContact CD1-SD 3.86Å; Y450-M468 HydrophobicContact CD2-SD 4.25Å; Y450-M468 HydrophobicContact CE1-CE 4.13Å; Y450-M468 HydrophobicContact CE1-SD 4.39Å; Y450-M468 HydrophobicContact CG-CE 4.5Å; Y450-M468 HydrophobicContact CG-CG 4.06Å; Y450-M468 HydrophobicContact CG-SD 3.8Å; I451-M468 CarbonylContact O-C 3.59Å; I451-M468 VanDerWaalsContact O-CA 3.29Å; I451-M468 WeakPolarHBondContact O-CA 3.06Å; Y452-M468 HydrophobicContact CD1-CB 3.94Å; Y452-M468 HydrophobicContact CD1-CG 4.12Å; Y452-M468 HydrophobicContact CD2-CG 4.43Å; Y452-M468 HydrophobicContact CE1-CB 3.74Å; Y452-M468 HydrophobicContact CE1-CG 3.65Å; Y452-M468 HydrophobicContact CE1-SD 3.91Å; Y452-M468 HydrophobicContact CE2-CG 4.01Å; Y452-M468 HydrophobicContact CE2-SD 4.33Å; Y452-M468 HydrophobicContact CG-CG 4.49Å; Y452-M468 VanDerWaalsContact CZ-SD 3.58Å; Y452-M468 PolarHBondContact OH-SD 2.78Å; M468-W476 CarbonylContact O-C 3.58Å; M468-W476 WeakPolarHBondContact O-CA 3.13Å; M468-S477 WeakPolarHBondContact CE-OG 3.48Å; M468-S477 PolarHBondContact N-O 2.96Å; M468-S477 PolarHBondContact O-N 3.26Å; M468-S477 PolarHBondContact O-OG 2.98Å; M468-V479 HydrophobicContact CB-CG1 3.87Å
469Y98.8Very high98.2Very high7 Ų754.7 Ų54.73%0.02728%0.282CS..EExtended strand (participates in β ladder)trans-100.3129175175.5-108.7000111.8Y405 Y450 I451 P471 D474 Q475 W476Y405-Y469 HydrophobicContact CE1-CD1 4.47Å; Y405-Y469 AromaticContact CE1-CE1 3.8Å; Y405-Y469 HydrophobicContact CE1-CE1 3.8Å; Y450-Y469 WeakPolarHBondContact CA-O 3.45Å; Y450-Y469 WeakPolarHBondContact CB-O 3.1Å; I451-Y469 HydrophobicContact CB-CD1 4.44Å; I451-Y469 HydrophobicContact CD1-CD1 4.1Å; I451-Y469 HydrophobicContact CG1-CD1 4.48Å; I451-Y469 PolarHBondContact N-O 2.97Å; I451-Y469 VanDerWaalsContact N-O 3.13Å; I451-Y469 PolarHBondContact O-N 3.41Å; Y469-P471 HydrophobicContact CD1-CB 4.49Å; Y469-P471 HydrophobicContact CE1-CB 3.84Å; Y469-D474 VanDerWaalsContact CE2-OD1 3.28Å; Y469-D474 WeakPolarHBondContact CE2-OD1 3.24Å; Y469-D474 PolarHBondContact OH-OD1 2.75Å; Y469-Q475 WeakPolarHBondContact CA-O 3.21Å; Y469-W476 AromaticContact CD2-CD1 3.88Å; Y469-W476 HydrophobicContact CD2-CD2 4Å; Y469-W476 AromaticContact CD2-CE2 3.57Å; Y469-W476 HydrophobicContact CD2-CG 4.19Å; Y469-W476 AromaticContact CD2-CZ2 3.97Å; Y469-W476 HydrophobicContact CD2-CZ2 3.97Å; Y469-W476 AromaticContact CD2-NE1 3.49Å; Y469-W476 HydrophobicContact CG-CD2 4.28Å; Y469-W476 AromaticContact CG-CE2 3.89Å; Y469-W476 HydrophobicContact CG-CH2 4.27Å; Y469-W476 AromaticContact CG-CZ2 3.87Å; Y469-W476 HydrophobicContact CG-CZ2 3.87Å
470D98.3Very high98.3Very high20 Ų2054.5 Ų54.511%0.10728%0.277CS..EExtended strand (participates in β ladder)trans-100.3111.4170.1-173.4-17.4000110.3Y450 R472 T473 D474 Q475Y450-D470 HydrophobicContact CD1-CB 3.86Å; Y450-D470 HydrophobicContact CE1-CB 3.8Å; D470-R472 PolarHBondContact O-N 2.96Å; D470-R472 VanDerWaalsContact O-N 3.15Å; D470-R472 VanDerWaalsContact OD1-CB 3.25Å; D470-R472 WeakPolarHBondContact OD1-CB 3.21Å; D470-R472 WeakPolarHBondContact OD1-CG 3.49Å; D470-R472 IonicContact OD1-CZ 3.57Å; D470-R472 PolarHBondContact OD1-N 3.46Å; D470-R472 IonicContact OD1-NE 2.69Å; D470-R472 PolarHBondContact OD1-NE 3.43Å; D470-R472 IonicContact OD1-NH2 2.97Å; D470-R472 IonicContact OD2-CZ 3.81Å; D470-R472 IonicContact OD2-NE 3.89Å; D470-R472 PolarHBondContact OD2-NE 3.49Å; D470-R472 IonicContact OD2-NH2 3.33Å; D470-R472 PolarHBondContact OD2-NH2 2.9Å; D470-T473 WeakPolarHBondContact CB-OG1 3.45Å; D470-T473 PolarHBondContact O-N 2.8Å; D470-D474 WeakPolarHBondContact O-CA 3.27Å; D470-D474 PolarHBondContact O-N 2.77Å; D470-Q475 PolarHBondContact N-O 2.87Å
471P97.7Very high98.4Very high37 Ų3751.4 Ų51.424%0.2427%0.265CS..THydrogen-bonded Turntrans-67.9-12.1-17931.9-40000114L400 G449 Y469L400-P471 HydrophobicContact CD2-CB 4.39Å; L400-P471 HydrophobicContact CD2-CG 3.83Å; G449-P471 WeakPolarHBondContact O-CD 3.33Å; Y469-P471 HydrophobicContact CD1-CB 4.49Å; Y469-P471 HydrophobicContact CE1-CB 3.84Å
472R97.5Very high98.4Very high183 Ų18346 Ų4669%0.69124%0.24SC*.THydrogen-bonded Turntrans-83.4-33.7-179.9-57.4169.6-64.8178.12.4111.8Y450 D470Y450-R472 PolarHBondContact OH-NH2 2.73Å; D470-R472 PolarHBondContact O-N 2.96Å; D470-R472 VanDerWaalsContact O-N 3.15Å; D470-R472 VanDerWaalsContact OD1-CB 3.25Å; D470-R472 WeakPolarHBondContact OD1-CB 3.21Å; D470-R472 WeakPolarHBondContact OD1-CG 3.49Å; D470-R472 IonicContact OD1-CZ 3.57Å; D470-R472 PolarHBondContact OD1-N 3.46Å; D470-R472 IonicContact OD1-NE 2.69Å; D470-R472 PolarHBondContact OD1-NE 3.43Å; D470-R472 IonicContact OD1-NH2 2.97Å; D470-R472 IonicContact OD2-CZ 3.81Å; D470-R472 IonicContact OD2-NE 3.89Å; D470-R472 PolarHBondContact OD2-NE 3.49Å; D470-R472 IonicContact OD2-NH2 3.33Å; D470-R472 PolarHBondContact OD2-NH2 2.9Å
473T98.2Very high98.4Very high85 Ų8547.9 Ų47.952%0.52125%0.253SS..THydrogen-bonded Turntrans-102.5-11.4178.858.40000112.4D470 Q475D470-T473 WeakPolarHBondContact CB-OG1 3.45Å; D470-T473 PolarHBondContact O-N 2.8Å; T473-Q475 VanDerWaalsContact C-N 3.31Å; T473-Q475 PolarHBondContact O-N 3.14Å
474D98.2Very high98.3Very high59 Ų5948.9 Ų48.932%0.31626%0.262SS..THydrogen-bonded Turntrans53.649.2-173.3-171.119.6000110.9S433 Y469 D470S433-D474 WeakPolarHBondContact CB-O 3.4Å; S433-D474 VanDerWaalsContact CB-OD1 3.32Å; S433-D474 WeakPolarHBondContact CB-OD1 3.23Å; S433-D474 PolarHBondContact N-OD1 3.37Å; S433-D474 PolarHBondContact OG-O 3.07Å; S433-D474 PolarHBondContact OG-OD1 2.88Å; Y469-D474 VanDerWaalsContact CE2-OD1 3.28Å; Y469-D474 WeakPolarHBondContact CE2-OD1 3.24Å; Y469-D474 PolarHBondContact OH-OD1 2.75Å; D470-D474 WeakPolarHBondContact O-CA 3.27Å; D470-D474 PolarHBondContact O-N 2.77Å
475Q98.7Very high98.3Very high108 Ų10849 Ų4951%0.50526%0.262SS..EExtended strand (participates in β ladder)trans-133.4147.3-178.1-66.9-60.3-4900111.9Y469 D470 T473Y469-Q475 WeakPolarHBondContact CA-O 3.21Å; D470-Q475 PolarHBondContact N-O 2.87Å; T473-Q475 VanDerWaalsContact C-N 3.31Å; T473-Q475 PolarHBondContact O-N 3.14Å
476W98.8Very high98.3Very high12 Ų1248.4 Ų48.45%0.04526%0.258CS..EExtended strand (participates in β ladder)trans-100.8143.9171.3-67.889.1000110.7V419 S433 M435 H436 I451 V453 E467 M468 Y469V419-W476 HydrophobicContact CB-CZ2 4.42Å; V419-W476 HydrophobicContact CG1-CZ2 4.39Å; V419-W476 HydrophobicContact CG2-CZ2 3.76Å; S433-W476 PolarHBondContact O-NE1 2.88Å; M435-W476 HydrophobicContact CG-CD2 3.9Å; M435-W476 HydrophobicContact CG-CE3 4.07Å; M435-W476 HydrophobicContact CG-CH2 3.98Å; M435-W476 HydrophobicContact CG-CZ2 3.82Å; M435-W476 HydrophobicContact CG-CZ3 4.1Å; M435-W476 HydrophobicContact SD-CH2 4.39Å; H436-W476 PolarHBondContact NE2-O 3.07Å; I451-W476 HydrophobicContact CG2-CH2 4.3Å; V453-W476 HydrophobicContact CB-CZ3 4.3Å; V453-W476 HydrophobicContact CG2-CH2 3.54Å; V453-W476 HydrophobicContact CG2-CZ3 3.53Å; E467-W476 HydrophobicContact CB-CE3 3.76Å; E467-W476 HydrophobicContact CB-CZ3 4.22Å; M468-W476 CarbonylContact O-C 3.58Å; M468-W476 WeakPolarHBondContact O-CA 3.13Å; Y469-W476 AromaticContact CD2-CD1 3.88Å; Y469-W476 HydrophobicContact CD2-CD2 4Å; Y469-W476 AromaticContact CD2-CE2 3.57Å; Y469-W476 HydrophobicContact CD2-CG 4.19Å; Y469-W476 AromaticContact CD2-CZ2 3.97Å; Y469-W476 HydrophobicContact CD2-CZ2 3.97Å; Y469-W476 AromaticContact CD2-NE1 3.49Å; Y469-W476 HydrophobicContact CG-CD2 4.28Å; Y469-W476 AromaticContact CG-CE2 3.89Å; Y469-W476 HydrophobicContact CG-CH2 4.27Å; Y469-W476 AromaticContact CG-CZ2 3.87Å; Y469-W476 HydrophobicContact CG-CZ2 3.87Å
477S98.4Very high98.3Very high47 Ų4748.9 Ų48.933%0.32926%0.261SS..EExtended strand (participates in β ladder)trans-137.7146.1176.157.20000110.2E467 M468E467-S477 CarbonylContact C-O 3.49Å; E467-S477 WeakPolarHBondContact CA-O 3.09Å; M468-S477 WeakPolarHBondContact CE-OG 3.48Å; M468-S477 PolarHBondContact N-O 2.96Å; M468-S477 PolarHBondContact O-N 3.26Å; M468-S477 PolarHBondContact O-OG 2.98Å
478L98.4Very high98.3Very high105 Ų10549.1 Ų49.155%0.5526%0.263SS..EExtended strand (participates in β ladder)trans-77.9139.1172.2-72.3165.6000110E467E467-L478 HydrophobicContact CG-CD2 3.64Å; E467-L478 HydrophobicContact CG-CG 4.45Å
479V98.5Very high98.3Very high22 Ų2247.9 Ų47.913%0.13326%0.257CS..EExtended strand (participates in β ladder)trans-110.6-176.4167.4-58.80000109.6Y452 V466 M468 Y516Y452-V479 HydrophobicContact CD1-CG2 4.39Å; Y452-V479 HydrophobicContact CE1-CG1 4.21Å; Y452-V479 HydrophobicContact CE1-CG2 4.36Å; V466-V479 HydrophobicContact CB-CG2 3.65Å; V466-V479 HydrophobicContact CG1-CG2 3.52Å; V466-V479 PolarHBondContact O-N 2.57Å; M468-V479 HydrophobicContact CB-CG1 3.87Å; V479-Y516 HydrophobicContact CB-CE2 4.46Å; V479-Y516 HydrophobicContact CG2-CE2 4.36Å
480A98.6Very high98.2Very high19 Ų1948 Ų4816%0.15726%0.259CS..PPolyproline II helixtrans-54.5133.4178.100000111.1Y516 N521 W523A480-Y516 HydrophobicContact CB-CE2 4.36Å; A480-N521 WeakPolarHBondContact CB-O 3.37Å; A480-N521 VanDerWaalsContact CB-OD1 3.3Å; A480-N521 WeakPolarHBondContact CB-OD1 3.48Å; A480-N521 PolarHBondContact N-OD1 3.47Å; A480-W523 PolarHBondContact O-NE1 3.33Å
481P98.7Very high98.2Very high73 Ų7347.6 Ų47.647%0.47426%0.257SS..PPolyproline II helixtrans-70155.717631.3-35.2000110.7D464 W523D464-P481 HydrophobicContact CB-CB 4.47Å; P481-W523 PolarHBondContact O-NE1 2.7Å
482M98.7Very high98.3Very high6 Ų646.2 Ų46.23%0.0325%0.248CC..PPolyproline II helixtrans-60.9163.6170.4-75.1-174.2-62.500112V454 D464 V466 S484 R486 A500 E514 W523V454-M482 HydrophobicContact CG1-CE 3.57Å; V454-M482 HydrophobicContact CG1-CG 4.12Å; V454-M482 HydrophobicContact CG1-SD 3.2Å; V454-M482 WeakPolarHBondContact CG1-SD 3.48Å; D464-M482 HydrophobicContact CB-CB 4.27Å; D464-M482 WeakPolarHBondContact O-CB 3.19Å; D464-M482 PolarHBondContact O-N 3.48Å; V466-M482 HydrophobicContact CG2-CG 4.1Å; M482-S484 WeakPolarHBondContact CB-O 3.26Å; M482-S484 PolarHBondContact O-N 3.21Å; M482-R486 HydrophobicContact CE-CB 4.07Å; M482-R486 HydrophobicContact CE-CG 3.98Å; M482-R486 HydrophobicContact SD-CG 4.24Å; M482-A500 HydrophobicContact SD-CB 3.55Å; M482-A500 VanDerWaalsContact SD-CB 3.55Å; M482-E514 VanDerWaalsContact CB-OE1 3.31Å; M482-E514 WeakPolarHBondContact CB-OE1 3.32Å; M482-W523 HydrophobicContact CG-CD2 4.07Å; M482-W523 HydrophobicContact CG-CE3 4.27Å; M482-W523 HydrophobicContact CG-CH2 4.04Å; M482-W523 HydrophobicContact CG-CZ2 3.84Å; M482-W523 HydrophobicContact CG-CZ3 4.25Å
483N98.1Very high98.3Very high98 Ų9839.2 Ų39.252%0.52423%0.225SC..SBendtrans-76.9-10.5173.9-59.9-81.9000112.7E514 W523 M525N483-E514 VanDerWaalsContact CB-OE2 3.32Å; N483-E514 WeakPolarHBondContact CB-OE2 3.31Å; N483-E514 PolarHBondContact N-OE2 2.84Å; N483-E514 PolarHBondContact ND2-OE2 2.84Å; N483-W523 WeakPolarHBondContact ND2-CB 3.47Å; N483-M525 HydrophobicContact CB-SD 4.32Å
484S96.2Very high98.3Very high38 Ų3836.5 Ų36.527%0.26621%0.206SC..SBendtrans-143.6146.2-179.4-55.20000110M482M482-S484 WeakPolarHBondContact CB-O 3.26Å; M482-S484 PolarHBondContact O-N 3.21Å
485I98.5Very high98.1Very high66 Ų6637.2 Ų37.234%0.33821%0.21SC..  trans-69.4136.9168.455.5-178000109.7F462 D464 D505F462-I485 HydrophobicContact CB-CB 4.1Å; F462-I485 HydrophobicContact CB-CD1 4.24Å; F462-I485 HydrophobicContact CB-CG1 4.39Å; F462-I485 WeakPolarHBondContact O-CG2 3.39Å; D464-I485 HydrophobicContact CB-CG2 3.82Å; I485-D505 WeakPolarHBondContact CD1-O 3.44Å; I485-D505 HydrophobicContact CG1-CB 3.89Å; I485-D505 WeakPolarHBondContact O-CA 3.32Å; I485-D505 WeakPolarHBondContact O-CB 3.35Å
486R98.6Very high98Very high0 Ų038.9 Ų38.90%022%0.217CC..  trans-146127.6-176.2-48.8-179.2-179-95.4-4.5112.1G455 G456 H463 M482 V489 G502 N504 L510 T512 E514G455-R486 CarbonylContact C-O 3.33Å; G455-R486 WeakPolarHBondContact CA-O 3.31Å; G456-R486 PolarHBondContact N-O 3.37Å; H463-R486 PolarHBondContact O-N 2.81Å; M482-R486 HydrophobicContact CE-CB 4.07Å; M482-R486 HydrophobicContact CE-CG 3.98Å; M482-R486 HydrophobicContact SD-CG 4.24Å; R486-V489 HydrophobicContact CB-CB 3.81Å; R486-V489 HydrophobicContact CB-CG1 4.32Å; R486-V489 HydrophobicContact CB-CG2 4.03Å; R486-G502 WeakPolarHBondContact CD-O 3.48Å; R486-G502 PolarHBondContact NH1-O 2.91Å; R486-N504 CarbonylContact C-O 3.6Å; R486-N504 WeakPolarHBondContact CA-O 3.33Å; R486-L510 HydrophobicContact CG-CD1 3.89Å; R486-T512 PolarHBondContact NH1-O 3.46Å; R486-T512 VanDerWaalsContact NH1-O 3.09Å; R486-T512 PolarHBondContact NH1-OG1 3.33Å; R486-T512 VanDerWaalsContact NH1-OG1 3.07Å; R486-T512 PolarHBondContact NH2-OG1 3.33Å; R486-T512 VanDerWaalsContact NH2-OG1 3.13Å; R486-E514 IonicContact CZ-OE1 2.69Å; R486-E514 IonicContact NE-OE1 3.74Å; R486-E514 PolarHBondContact NE-OE1 3.08Å; R486-E514 IonicContact NH2-OE1 3.21Å; R486-E514 PolarHBondContact NH2-OE1 3.33Å
487S98.3Very high98Very high10 Ų1041.1 Ų41.17%0.0723%0.226CC..BIsolated β-bridgetrans-120.9152.5163.6-179.90000110.9D441 V489 G503 N504D441-S487 VanDerWaalsContact CB-OG 3.24Å; D441-S487 WeakPolarHBondContact CB-OG 3.35Å; S487-V489 PolarHBondContact O-N 2.9Å; S487-G503 CarbonylContact O-C 3.54Å; S487-G503 WeakPolarHBondContact O-CA 3.44Å; S487-N504 PolarHBondContact N-O 3.41Å; S487-N504 PolarHBondContact O-N 3.17Å
488G97.8Very high98Very high4 Ų438.9 Ų38.94%0.04121%0.21CC..SBendtrans62.330.8-169.900000111.4D441 S534 N535D441-G488 WeakPolarHBondContact O-CA 3.35Å; D441-G488 PolarHBondContact O-N 2.92Å; G488-S534 WeakPolarHBondContact O-CA 3.44Å; G488-N535 WeakPolarHBondContact CA-OD1 3.4Å; G488-N535 PolarHBondContact O-N 3.18Å
489V98.5Very high98Very high7 Ų733.9 Ų33.94%0.04218%0.184CC..  trans-82.1140.4-176.5620000110.5V454 R486 S487 A500V454-V489 WeakPolarHBondContact O-CG1 3.46Å; R486-V489 HydrophobicContact CB-CB 3.81Å; R486-V489 HydrophobicContact CB-CG1 4.32Å; R486-V489 HydrophobicContact CB-CG2 4.03Å; S487-V489 PolarHBondContact O-N 2.9Å; V489-A500 HydrophobicContact CG2-CB 4.21Å
490S98.3Very high98Very high9 Ų932.9 Ų32.96%0.06318%0.178CC..EExtended strand (participates in β ladder)trans-98136.1174.3-70.40000110.5I501 F536S490-I501 PolarHBondContact N-O 2.88Å; S490-I501 VanDerWaalsContact N-O 3.14Å; S490-I501 PolarHBondContact O-N 3.27Å; S490-F536 VanDerWaalsContact CB-CZ 3.42Å; S490-F536 WeakPolarHBondContact OG-CD2 3.33Å; S490-F536 VanDerWaalsContact OG-CE2 3.22Å; S490-F536 WeakPolarHBondContact OG-CE2 3.22Å; S490-F536 WeakPolarHBondContact OG-CZ 3.39Å; S490-F536 PolarHBondContact OG-O 3.35Å
491V98.4Very high98Very high11 Ų1132 Ų327%0.06717%0.17CC..EExtended strand (participates in β ladder)trans-126.9133.5-175.8178.20000110.6H445 V454 L498 Y499H445-V491 HydrophobicContact CB-CG1 4Å; V454-V491 HydrophobicContact CB-CG2 3.66Å; V454-V491 HydrophobicContact CG1-CG2 4.14Å; V454-V491 HydrophobicContact CG2-CG1 4.07Å; V454-V491 HydrophobicContact CG2-CG2 3.84Å; V491-L498 HydrophobicContact CG1-CD1 3.41Å; V491-L498 VanDerWaalsContact CG1-CD1 3.41Å; V491-L498 HydrophobicContact CG1-CD2 4.41Å; V491-L498 HydrophobicContact CG1-CG 3.92Å; V491-Y499 VanDerWaalsContact CA-O 3.26Å; V491-Y499 WeakPolarHBondContact CA-O 3.12Å
492I98.2Very high98Very high9 Ų928.5 Ų28.55%0.04615%0.148CC..EExtended strand (participates in β ladder)trans-146.3149.3176.8-163.8148.1000112.1Y499 I501 V538 T539 T540 I545I492-Y499 PolarHBondContact N-O 2.85Å; I492-Y499 VanDerWaalsContact N-O 3.12Å; I492-Y499 PolarHBondContact O-N 3.39Å; I492-I501 HydrophobicContact CG2-CD1 4.02Å; I492-V538 HydrophobicContact CB-CG1 4.1Å; I492-V538 HydrophobicContact CB-CG2 3.95Å; I492-V538 HydrophobicContact CD1-CG1 4.45Å; I492-V538 HydrophobicContact CD1-CG2 4.02Å; I492-V538 HydrophobicContact CG2-CG2 3.74Å; I492-T539 VanDerWaalsContact CD1-C 3.47Å; I492-T540 HydrophobicContact CD1-CG2 3.75Å; I492-T540 HydrophobicContact CG1-CG2 4.19Å; I492-I545 HydrophobicContact CG2-CD1 4.29Å; I492-I545 HydrophobicContact CG2-CG2 4.31Å
493V97.8Very high98Very high35 Ų3528.2 Ų28.221%0.21215%0.146CC..EExtended strand (participates in β ladder)trans-94128.7168.7174.30000109.4H445 F447 Y497 L498H445-V493 HydrophobicContact CB-CG2 4.33Å; H445-V493 VanDerWaalsContact ND1-CG2 3.31Å; H445-V493 WeakPolarHBondContact ND1-CG2 3.44Å; F447-V493 HydrophobicContact CB-CG2 3.65Å; F447-V493 HydrophobicContact CD1-CG2 4.41Å; F447-V493 HydrophobicContact CD2-CB 4.45Å; F447-V493 HydrophobicContact CD2-CG1 3.67Å; F447-V493 HydrophobicContact CD2-CG2 3.84Å; F447-V493 HydrophobicContact CE2-CG1 3.94Å; F447-V493 HydrophobicContact CG-CG1 4.39Å; F447-V493 HydrophobicContact CG-CG2 3.71Å; V493-Y497 VanDerWaalsContact CA-O 3.31Å; V493-Y497 WeakPolarHBondContact CA-O 3.19Å; V493-L498 HydrophobicContact CG2-CD1 3.7Å
494Y97.6Very high98Very high28 Ų2824.7 Ų24.711%0.1113%0.128CC..EExtended strand (participates in β ladder)trans-141.1134.3172.7-176.3-89.6000109.3H496 Y497 Y499 T540 E543 I545 P567Y494-H496 VanDerWaalsContact C-N 3.3Å; Y494-H496 PolarHBondContact O-N 2.82Å; Y494-H496 VanDerWaalsContact O-N 3.15Å; Y494-Y497 PolarHBondContact N-O 2.93Å; Y494-Y497 PolarHBondContact O-N 2.85Å; Y494-Y499 WeakPolarHBondContact O-CE2 3.47Å; Y494-T540 HydrophobicContact CD2-CG2 3.73Å; Y494-E543 PolarHBondContact OH-O 2.94Å; Y494-I545 HydrophobicContact CD2-CG1 4.16Å; Y494-I545 HydrophobicContact CG-CD1 4.17Å; Y494-I545 HydrophobicContact CG-CG1 4.13Å; Y494-P567 HydrophobicContact CD1-CB 4.06Å; Y494-P567 HydrophobicContact CD1-CG 3.65Å; Y494-P567 HydrophobicContact CE1-CB 3.96Å; Y494-P567 HydrophobicContact CE1-CG 3.68Å; Y494-P567 HydrophobicContact CG-CG 4.35Å
495D95.5Very high98Very high75 Ų7524.3 Ų24.340%0.40112%0.123SC..THydrogen-bonded Turntrans44.749.2175.9-163.823000114.5Y497 N568D495-Y497 VanDerWaalsContact C-N 3.3Å; D495-Y497 WeakPolarHBondContact O-CD2 3.38Å; D495-Y497 WeakPolarHBondContact O-CE2 3.41Å; D495-Y497 PolarHBondContact O-N 3.09Å; D495-N568 PolarHBondContact OD2-ND2 2.87Å; D495-N568 PolarHBondContact OD2-OD1 3.19Å
496H96.2Very high97.8Very high143 Ų14323.1 Ų23.166%0.66213%0.127SC*.THydrogen-bonded Turntrans63.624.3-179.4-49.7-79000116.1F447 Y494F447-H496 VanDerWaalsContact CZ-O 3.24Å; F447-H496 WeakPolarHBondContact CZ-O 3.3Å; Y494-H496 VanDerWaalsContact C-N 3.3Å; Y494-H496 PolarHBondContact O-N 2.82Å; Y494-H496 VanDerWaalsContact O-N 3.15Å
497Y98.2Very high97.7Very high58 Ų5828.6 Ų28.623%0.22717%0.165CC..EExtended strand (participates in β ladder)trans-128151168.8-59.1-87.2000110.8V493 Y494 D495 R515 N517V493-Y497 VanDerWaalsContact CA-O 3.31Å; V493-Y497 WeakPolarHBondContact CA-O 3.19Å; Y494-Y497 PolarHBondContact N-O 2.93Å; Y494-Y497 PolarHBondContact O-N 2.85Å; D495-Y497 VanDerWaalsContact C-N 3.3Å; D495-Y497 WeakPolarHBondContact O-CD2 3.38Å; D495-Y497 WeakPolarHBondContact O-CE2 3.41Å; D495-Y497 PolarHBondContact O-N 3.09Å; Y497-R515 HydrophobicContact CD1-CG 4.46Å; Y497-N517 HydrophobicContact CD1-CB 3.93Å; Y497-N517 HydrophobicContact CE1-CB 3.78Å
498L98.6Very high97.5Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-97.2119.8172.3-178.978.8000108.8H445 F447 Y452 V454 V491 V493 R515 Y516 W523H445-L498 HydrophobicContact CB-CD1 3.97Å; F447-L498 HydrophobicContact CD1-CB 4.02Å; F447-L498 HydrophobicContact CE1-CB 4.19Å; Y452-L498 HydrophobicContact CD1-CD2 4.22Å; Y452-L498 HydrophobicContact CG-CD2 3.96Å; V454-L498 HydrophobicContact CG2-CD2 3.84Å; V491-L498 HydrophobicContact CG1-CD1 3.41Å; V491-L498 VanDerWaalsContact CG1-CD1 3.41Å; V491-L498 HydrophobicContact CG1-CD2 4.41Å; V491-L498 HydrophobicContact CG1-CG 3.92Å; V493-L498 HydrophobicContact CG2-CD1 3.7Å; L498-R515 CarbonylContact O-C 3.52Å; L498-R515 VanDerWaalsContact O-CA 3.26Å; L498-R515 WeakPolarHBondContact O-CA 3.2Å; L498-Y516 HydrophobicContact CB-CD1 4.38Å; L498-Y516 PolarHBondContact N-O 3.41Å; L498-Y516 PolarHBondContact O-N 3.17Å; L498-W523 HydrophobicContact CD2-CH2 4.25Å
499Y98.7Very high97.5Very high1 Ų134.6 Ų34.60%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-99.5133.5-179.3-70.6-104.2000110.4V491 I492 Y494 V513 E514 R515 M526 I545 W565V491-Y499 VanDerWaalsContact CA-O 3.26Å; V491-Y499 WeakPolarHBondContact CA-O 3.12Å; I492-Y499 PolarHBondContact N-O 2.85Å; I492-Y499 VanDerWaalsContact N-O 3.12Å; I492-Y499 PolarHBondContact O-N 3.39Å; Y494-Y499 WeakPolarHBondContact O-CE2 3.47Å; Y499-V513 HydrophobicContact CD1-CG1 4.04Å; Y499-E514 CarbonylContact C-O 3.51Å; Y499-E514 WeakPolarHBondContact CA-O 3.35Å; Y499-R515 HydrophobicContact CD1-CB 3.76Å; Y499-R515 HydrophobicContact CD2-CB 4.33Å; Y499-R515 HydrophobicContact CE1-CB 3.7Å; Y499-R515 HydrophobicContact CE1-CG 4.44Å; Y499-R515 HydrophobicContact CE2-CB 4.27Å; Y499-R515 HydrophobicContact CG-CB 4.08Å; Y499-M526 HydrophobicContact CD1-CG 4.47Å; Y499-M526 HydrophobicContact CE1-CG 4.06Å; Y499-I545 HydrophobicContact CD1-CD1 4.29Å; Y499-I545 HydrophobicContact CD2-CD1 4.32Å; Y499-I545 HydrophobicContact CE1-CD1 4.43Å; Y499-I545 HydrophobicContact CE2-CD1 4.49Å; Y499-I545 HydrophobicContact CG-CD1 4.23Å; Y499-W565 HydrophobicContact CD1-CZ3 4.18Å; Y499-W565 AromaticContact CE1-CH2 3.95Å; Y499-W565 HydrophobicContact CE1-CH2 3.95Å; Y499-W565 AromaticContact CE1-CZ3 3.71Å; Y499-W565 HydrophobicContact CE1-CZ3 3.71Å
500A98.8Very high97.5Very high0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-108.3120.9166.500000108.4V454 M482 V489 V513 E514 W523V454-A500 HydrophobicContact CG1-CB 4.03Å; M482-A500 HydrophobicContact SD-CB 3.55Å; M482-A500 VanDerWaalsContact SD-CB 3.55Å; V489-A500 HydrophobicContact CG2-CB 4.21Å; A500-V513 WeakPolarHBondContact O-CA 3.49Å; A500-E514 HydrophobicContact CB-CG 4.02Å; A500-E514 PolarHBondContact N-O 3.38Å; A500-E514 PolarHBondContact O-N 3.07Å; A500-W523 HydrophobicContact CB-CH2 4.02Å; A500-W523 HydrophobicContact CB-CZ3 3.72Å
501I98.8Very high97.4Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-124.8129.3-168.2-59.3159000108.6S490 I492 V513 M529 F536 V538 I545 V547S490-I501 PolarHBondContact N-O 2.88Å; S490-I501 VanDerWaalsContact N-O 3.14Å; S490-I501 PolarHBondContact O-N 3.27Å; I492-I501 HydrophobicContact CG2-CD1 4.02Å; I501-V513 HydrophobicContact CB-CG2 4.42Å; I501-V513 HydrophobicContact CG1-CG1 3.68Å; I501-V513 HydrophobicContact CG1-CG2 4.25Å; I501-V513 HydrophobicContact CG2-CG2 3.88Å; I501-M529 HydrophobicContact CG2-CE 3.78Å; I501-M529 HydrophobicContact CG2-CG 4.19Å; I501-M529 HydrophobicContact CG2-SD 3.35Å; I501-M529 WeakPolarHBondContact CG2-SD 3.42Å; I501-F536 HydrophobicContact CB-CE2 4.47Å; I501-F536 HydrophobicContact CB-CZ 4.12Å; I501-F536 HydrophobicContact CG2-CE2 3.97Å; I501-F536 HydrophobicContact CG2-CZ 3.73Å; I501-F536 WeakPolarHBondContact O-CZ 3.49Å; I501-V538 HydrophobicContact CD1-CG2 3.81Å; I501-I545 HydrophobicContact CD1-CG2 3.99Å; I501-V547 HydrophobicContact CG2-CG1 3.99Å
502G98.5Very high97.4Very high0 Ų041.3 Ų41.30%022%0.215CC..  trans61.4-141.8173.700000113.7R486 L510 T512R486-G502 WeakPolarHBondContact CD-O 3.48Å; R486-G502 PolarHBondContact NH1-O 2.91Å; G502-L510 WeakPolarHBondContact CA-O 3.43Å; G502-T512 PolarHBondContact N-O 3.35Å
503G98.3Very high97.5Very high0 Ų040.9 Ų40.90%021%0.212CC..  trans99.6-164.2-176.400000112.6S487 R509 L510 R533S487-G503 CarbonylContact O-C 3.54Å; S487-G503 WeakPolarHBondContact O-CA 3.44Å; G503-R509 CarbonylContact O-C 3.53Å; G503-R509 VanDerWaalsContact O-CA 3.26Å; G503-R509 WeakPolarHBondContact O-CA 3.47Å; G503-L510 PolarHBondContact O-N 3.3Å; G503-R533 PolarHBondContact N-O 3Å
504N97.5Very high97.5Very high24 Ų2439.2 Ų39.213%0.12820%0.202CC..BIsolated β-bridgetrans-130128.9178.4179.715.2000108.5F462 R486 S487 G506 Q508 R509F462-N504 WeakPolarHBondContact CD1-O 3.29Å; F462-N504 HydrophobicContact CE1-CB 4.37Å; R486-N504 CarbonylContact C-O 3.6Å; R486-N504 WeakPolarHBondContact CA-O 3.33Å; S487-N504 PolarHBondContact N-O 3.41Å; S487-N504 PolarHBondContact O-N 3.17Å; N504-G506 VanDerWaalsContact C-N 3.3Å; N504-G506 PolarHBondContact OD1-N 3.42Å; N504-Q508 WeakPolarHBondContact CA-O 3.27Å; N504-Q508 PolarHBondContact OD1-O 2.82Å; N504-R509 HydrophobicContact CB-CG 4.41Å
505D97.2Very high97.5Very high31 Ų3140 Ų4017%0.16621%0.205CC..  trans-89.95.6177.964.512.7000113.2I485 S507 Q508 L510I485-D505 WeakPolarHBondContact CD1-O 3.44Å; I485-D505 HydrophobicContact CG1-CB 3.89Å; I485-D505 WeakPolarHBondContact O-CA 3.32Å; I485-D505 WeakPolarHBondContact O-CB 3.35Å; D505-S507 VanDerWaalsContact C-N 3.27Å; D505-S507 PolarHBondContact O-N 2.88Å; D505-S507 WeakPolarHBondContact OD1-CA 3.4Å; D505-S507 WeakPolarHBondContact OD1-CB 3.26Å; D505-S507 PolarHBondContact OD1-N 2.86Å; D505-Q508 PolarHBondContact N-O 2.81Å; D505-Q508 VanDerWaalsContact N-O 3.11Å; D505-Q508 PolarHBondContact OD1-N 2.77Å; D505-Q508 VanDerWaalsContact OD1-O 3.07Å; D505-L510 HydrophobicContact CB-CD1 4.21Å; D505-L510 HydrophobicContact CB-CD2 4.16Å; D505-L510 HydrophobicContact CB-CG 4.34Å; D505-L510 WeakPolarHBondContact OD2-CD2 3.36Å
506G94.6Very high97.7Very high41 Ų4136.7 Ų36.742%0.42319%0.187SC..SBendtrans90.2-17.3-175.600000113.5N504N504-G506 VanDerWaalsContact C-N 3.3Å; N504-G506 PolarHBondContact OD1-N 3.42Å
507S95.1Very high97.8Very high114 Ų11431.4 Ų31.480%0.79716%0.164SC*.SBendtrans-104.7-39.3172.4-58.20000112.1D505D505-S507 VanDerWaalsContact C-N 3.27Å; D505-S507 PolarHBondContact O-N 2.88Å; D505-S507 WeakPolarHBondContact OD1-CA 3.4Å; D505-S507 WeakPolarHBondContact OD1-CB 3.26Å; D505-S507 PolarHBondContact OD1-N 2.86Å
508Q95.4Very high97.7Very high81 Ų8130.3 Ų30.338%0.37916%0.164SC..SBendtrans-154.9159.4-177.461177.7-13.300112.1N504 D505N504-Q508 WeakPolarHBondContact CA-O 3.27Å; N504-Q508 PolarHBondContact OD1-O 2.82Å; D505-Q508 PolarHBondContact N-O 2.81Å; D505-Q508 VanDerWaalsContact N-O 3.11Å; D505-Q508 PolarHBondContact OD1-N 2.77Å; D505-Q508 VanDerWaalsContact OD1-O 3.07Å
509R97Very high97.6Very high59 Ų5937.4 Ų37.422%0.22320%0.202CC..BIsolated β-bridgetrans-69.9144.8164.4-7782.3179.6149.5-4.9110.7G503 N504 K532 D553G503-R509 CarbonylContact O-C 3.53Å; G503-R509 VanDerWaalsContact O-CA 3.26Å; G503-R509 WeakPolarHBondContact O-CA 3.47Å; N504-R509 HydrophobicContact CB-CG 4.41Å; R509-K532 HydrophobicContact CB-CB 4.07Å; R509-K532 VanDerWaalsContact O-CD 3.26Å; R509-K532 WeakPolarHBondContact O-CD 3.35Å; R509-K532 WeakPolarHBondContact O-CG 3.46Å; R509-D553 WeakPolarHBondContact CD-OD1 3.5Å; R509-D553 WeakPolarHBondContact CD-OD2 3.12Å; R509-D553 IonicContact CZ-OD1 3.27Å; R509-D553 PolarHBondContact N-OD2 3Å; R509-D553 IonicContact NE-OD1 3.09Å; R509-D553 PolarHBondContact NE-OD1 2.87Å; R509-D553 IonicContact NH1-OD1 3.28Å; R509-D553 PolarHBondContact NH1-OD1 3.03Å; R509-D553 IonicContact NH1-OD2 2.82Å
510L98.1Very high97.5Very high11 Ų1141 Ų416%0.05822%0.224CC..  trans-100.4146.6-175.5-59.6176.7000110.6R486 G502 G503 D505 R533R486-L510 HydrophobicContact CG-CD1 3.89Å; G502-L510 WeakPolarHBondContact CA-O 3.43Å; G503-L510 PolarHBondContact O-N 3.3Å; D505-L510 HydrophobicContact CB-CD1 4.21Å; D505-L510 HydrophobicContact CB-CD2 4.16Å; D505-L510 HydrophobicContact CB-CG 4.34Å; D505-L510 WeakPolarHBondContact OD2-CD2 3.36Å; L510-R533 PolarHBondContact O-N 3.24Å; L510-R533 VanDerWaalsContact O-N 3.16Å
511R97.5Very high97.5Very high124 Ų12444.6 Ų44.647%0.46824%0.243SC..  trans-106.3-6.2162.765.5171.8-175.3-1391.4112.9S528 M529 K532R511-S528 CarbonylContact O-C 3.58Å; R511-S528 WeakPolarHBondContact O-CA 3.23Å; R511-M529 HydrophobicContact CB-CB 4.14Å; R511-M529 WeakPolarHBondContact CD-O 3.35Å; R511-M529 PolarHBondContact O-N 2.96Å; R511-K532 HydrophobicContact CB-CG 4.28Å
512T98.5Very high97.5Very high33 Ų3353.5 Ų53.520%0.20228%0.277CS..  trans-71149-173.955.90000111.1R486 G502 M525R486-T512 PolarHBondContact NH1-O 3.46Å; R486-T512 VanDerWaalsContact NH1-O 3.09Å; R486-T512 PolarHBondContact NH1-OG1 3.33Å; R486-T512 VanDerWaalsContact NH1-OG1 3.07Å; R486-T512 PolarHBondContact NH2-OG1 3.33Å; R486-T512 VanDerWaalsContact NH2-OG1 3.13Å; G502-T512 PolarHBondContact N-O 3.35Å; T512-M525 HydrophobicContact CG2-CE 4.07Å
513V98.7Very high97.5Very high0 Ų054.7 Ų54.70%028%0.281CS..EExtended strand (participates in β ladder)trans-127139.8177.4-176.10000108.4Y499 A500 I501 M526 P527 M529 W573Y499-V513 HydrophobicContact CD1-CG1 4.04Å; A500-V513 WeakPolarHBondContact O-CA 3.49Å; I501-V513 HydrophobicContact CB-CG2 4.42Å; I501-V513 HydrophobicContact CG1-CG1 3.68Å; I501-V513 HydrophobicContact CG1-CG2 4.25Å; I501-V513 HydrophobicContact CG2-CG2 3.88Å; V513-M526 HydrophobicContact CB-CB 4.06Å; V513-M526 HydrophobicContact CG1-CB 3.95Å; V513-M526 HydrophobicContact CG1-CG 4.5Å; V513-M526 PolarHBondContact O-N 3.2Å; V513-P527 WeakPolarHBondContact CG2-O 3.3Å; V513-M529 HydrophobicContact CG2-CG 4.2Å; V513-W573 HydrophobicContact CG2-CZ2 3.98Å
514E98.6Very high97.5Very high0 Ų059.8 Ų59.80%031%0.305CS..EExtended strand (participates in β ladder)trans-138.4151.3172.157.7-169.4146.100110.2M482 N483 R486 Y499 A500 W523 Q524 M525M482-E514 VanDerWaalsContact CB-OE1 3.31Å; M482-E514 WeakPolarHBondContact CB-OE1 3.32Å; N483-E514 VanDerWaalsContact CB-OE2 3.32Å; N483-E514 WeakPolarHBondContact CB-OE2 3.31Å; N483-E514 PolarHBondContact N-OE2 2.84Å; N483-E514 PolarHBondContact ND2-OE2 2.84Å; R486-E514 IonicContact CZ-OE1 2.69Å; R486-E514 IonicContact NE-OE1 3.74Å; R486-E514 PolarHBondContact NE-OE1 3.08Å; R486-E514 IonicContact NH2-OE1 3.21Å; R486-E514 PolarHBondContact NH2-OE1 3.33Å; Y499-E514 CarbonylContact C-O 3.51Å; Y499-E514 WeakPolarHBondContact CA-O 3.35Å; A500-E514 HydrophobicContact CB-CG 4.02Å; A500-E514 PolarHBondContact N-O 3.38Å; A500-E514 PolarHBondContact O-N 3.07Å; E514-W523 HydrophobicContact CB-CE3 4.06Å; E514-W523 HydrophobicContact CG-CE3 3.6Å; E514-W523 HydrophobicContact CG-CZ3 3.95Å; E514-Q524 CarbonylContact C-O 3.6Å; E514-Q524 VanDerWaalsContact CA-O 3.23Å; E514-Q524 WeakPolarHBondContact CA-O 3.46Å; E514-M525 HydrophobicContact CB-SD 3.99Å
515R98.3Very high97.5Very high44 Ų4462.7 Ų62.717%0.16632%0.319CS..EExtended strand (participates in β ladder)trans-122.6143.1178.374.1177.1179.8177-2.7111.3Y497 L498 Y499 W523 Q524 M526Y497-R515 HydrophobicContact CD1-CG 4.46Å; L498-R515 CarbonylContact O-C 3.52Å; L498-R515 VanDerWaalsContact O-CA 3.26Å; L498-R515 WeakPolarHBondContact O-CA 3.2Å; Y499-R515 HydrophobicContact CD1-CB 3.76Å; Y499-R515 HydrophobicContact CD2-CB 4.33Å; Y499-R515 HydrophobicContact CE1-CB 3.7Å; Y499-R515 HydrophobicContact CE1-CG 4.44Å; Y499-R515 HydrophobicContact CE2-CB 4.27Å; Y499-R515 HydrophobicContact CG-CB 4.08Å; R515-W523 VanDerWaalsContact C-CE3 3.44Å; R515-W523 CarbonylContact O-C 3.57Å; R515-W523 VanDerWaalsContact O-CA 3.27Å; R515-W523 WeakPolarHBondContact O-CA 3.4Å; R515-Q524 HydrophobicContact CG-CB 4.32Å; R515-Q524 PolarHBondContact N-O 2.94Å; R515-Q524 PolarHBondContact O-N 2.81Å; R515-M526 HydrophobicContact CB-CG 4.13Å; R515-M526 VanDerWaalsContact CD-SD 3.56Å; R515-M526 HydrophobicContact CG-CG 3.96Å; R515-M526 HydrophobicContact CG-SD 3.81Å
516Y98.8Very high97.5Very high6 Ų662.6 Ų62.62%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-102.3131.3176.7174.4-106.5000110.8Y452 V479 A480 L498 P518 N521 R522 W523Y452-Y516 HydrophobicContact CE1-CD1 4.49Å; Y452-Y516 AromaticContact CE1-CE1 3.81Å; Y452-Y516 HydrophobicContact CE1-CE1 3.81Å; V479-Y516 HydrophobicContact CB-CE2 4.46Å; V479-Y516 HydrophobicContact CG2-CE2 4.36Å; A480-Y516 HydrophobicContact CB-CE2 4.36Å; L498-Y516 HydrophobicContact CB-CD1 4.38Å; L498-Y516 PolarHBondContact N-O 3.41Å; L498-Y516 PolarHBondContact O-N 3.17Å; Y516-P518 HydrophobicContact CE1-CB 3.9Å; Y516-N521 WeakPolarHBondContact CE2-OD1 3.43Å; Y516-N521 PolarHBondContact OH-OD1 2.97Å; Y516-R522 WeakPolarHBondContact CA-O 3.27Å; Y516-W523 AromaticContact CD2-CD1 3.93Å; Y516-W523 HydrophobicContact CD2-CD2 4.24Å; Y516-W523 AromaticContact CD2-CE2 3.77Å; Y516-W523 HydrophobicContact CD2-CG 4.33Å; Y516-W523 HydrophobicContact CD2-CZ2 4.18Å; Y516-W523 AromaticContact CD2-NE1 3.56Å; Y516-W523 HydrophobicContact CG-CD2 4.44Å; Y516-W523 AromaticContact CG-CE2 4Å; Y516-W523 HydrophobicContact CG-CZ2 4.01Å
517N97.9Very high97.7Very high32 Ų3262.3 Ų62.317%0.17131%0.309CS..EExtended strand (participates in β ladder)trans-101.3115170.8-177.4-20000109.4Y497 N519 T520 N521 R522Y497-N517 HydrophobicContact CD1-CB 3.93Å; Y497-N517 HydrophobicContact CE1-CB 3.78Å; N517-N519 VanDerWaalsContact C-N 3.25Å; N517-N519 PolarHBondContact O-N 2.93Å; N517-N519 WeakPolarHBondContact OD1-CB 3.47Å; N517-N519 PolarHBondContact OD1-N 2.85Å; N517-T520 WeakPolarHBondContact CB-OG1 3.43Å; N517-T520 PolarHBondContact O-N 3.34Å; N517-N521 WeakPolarHBondContact O-CA 3.23Å; N517-N521 PolarHBondContact O-N 2.93Å; N517-R522 PolarHBondContact N-O 3.42Å; N517-R522 PolarHBondContact O-N 3.26Å
518P96Very high97.8Very high35 Ų3559.2 Ų59.223%0.22729%0.287CS..THydrogen-bonded Turntrans-69.2-23.5-177.831.8-37.3000112.9F447 Y516F447-P518 HydrophobicContact CE1-CB 3.99Å; F447-P518 HydrophobicContact CE1-CG 3.52Å; F447-P518 HydrophobicContact CZ-CB 4.46Å; F447-P518 HydrophobicContact CZ-CG 3.54Å; Y516-P518 HydrophobicContact CE1-CB 3.9Å
519N96.6Very high98Very high149 Ų14955.6 Ų55.680%0.79727%0.27SS*.THydrogen-bonded Turntrans-76.7-31.3-179.7-61-40.5000112.1N517N517-N519 VanDerWaalsContact C-N 3.25Å; N517-N519 PolarHBondContact O-N 2.93Å; N517-N519 WeakPolarHBondContact OD1-CB 3.47Å; N517-N519 PolarHBondContact OD1-N 2.85Å
520T97.8Very high98Very high78 Ų7856.4 Ų56.448%0.47928%0.278SS..THydrogen-bonded Turntrans-103.6-8.9179.362.10000113N517 R522N517-T520 WeakPolarHBondContact CB-OG1 3.43Å; N517-T520 PolarHBondContact O-N 3.34Å; T520-R522 VanDerWaalsContact C-N 3.31Å; T520-R522 WeakPolarHBondContact O-CG 3.42Å; T520-R522 PolarHBondContact O-N 3.1Å
521N97.7Very high97.9Very high75 Ų7559.1 Ų59.140%0.40129%0.29SS..THydrogen-bonded Turntrans49.950.3-173.6-171.426.1000111.5A480 Y516 N517A480-N521 WeakPolarHBondContact CB-O 3.37Å; A480-N521 VanDerWaalsContact CB-OD1 3.3Å; A480-N521 WeakPolarHBondContact CB-OD1 3.48Å; A480-N521 PolarHBondContact N-OD1 3.47Å; Y516-N521 WeakPolarHBondContact CE2-OD1 3.43Å; Y516-N521 PolarHBondContact OH-OD1 2.97Å; N517-N521 WeakPolarHBondContact O-CA 3.23Å; N517-N521 PolarHBondContact O-N 2.93Å
522R98.6Very high97.9Very high186 Ų18655.6 Ų55.670%0.70228%0.278SS*.EExtended strand (participates in β ladder)trans-139.8147.5-177.8-72.3180-173.9-170.50.4111.9Y516 N517 T520Y516-R522 WeakPolarHBondContact CA-O 3.27Å; N517-R522 PolarHBondContact N-O 3.42Å; N517-R522 PolarHBondContact O-N 3.26Å; T520-R522 VanDerWaalsContact C-N 3.31Å; T520-R522 WeakPolarHBondContact O-CG 3.42Å; T520-R522 PolarHBondContact O-N 3.1Å
523W98.7Very high97.8Very high26 Ų2654 Ų5410%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-94.9146.3171.2-68.487.8000111.3V454 V466 A480 P481 M482 N483 L498 A500 E514 R515 Y516V454-W523 HydrophobicContact CG1-CH2 4.28Å; V466-W523 HydrophobicContact CG1-CZ2 4.46Å; V466-W523 HydrophobicContact CG2-CZ2 3.79Å; A480-W523 PolarHBondContact O-NE1 3.33Å; P481-W523 PolarHBondContact O-NE1 2.7Å; M482-W523 HydrophobicContact CG-CD2 4.07Å; M482-W523 HydrophobicContact CG-CE3 4.27Å; M482-W523 HydrophobicContact CG-CH2 4.04Å; M482-W523 HydrophobicContact CG-CZ2 3.84Å; M482-W523 HydrophobicContact CG-CZ3 4.25Å; N483-W523 WeakPolarHBondContact ND2-CB 3.47Å; L498-W523 HydrophobicContact CD2-CH2 4.25Å; A500-W523 HydrophobicContact CB-CH2 4.02Å; A500-W523 HydrophobicContact CB-CZ3 3.72Å; E514-W523 HydrophobicContact CB-CE3 4.06Å; E514-W523 HydrophobicContact CG-CE3 3.6Å; E514-W523 HydrophobicContact CG-CZ3 3.95Å; R515-W523 VanDerWaalsContact C-CE3 3.44Å; R515-W523 CarbonylContact O-C 3.57Å; R515-W523 VanDerWaalsContact O-CA 3.27Å; R515-W523 WeakPolarHBondContact O-CA 3.4Å; Y516-W523 AromaticContact CD2-CD1 3.93Å; Y516-W523 HydrophobicContact CD2-CD2 4.24Å; Y516-W523 AromaticContact CD2-CE2 3.77Å; Y516-W523 HydrophobicContact CD2-CG 4.33Å; Y516-W523 HydrophobicContact CD2-CZ2 4.18Å; Y516-W523 AromaticContact CD2-NE1 3.56Å; Y516-W523 HydrophobicContact CG-CD2 4.44Å; Y516-W523 AromaticContact CG-CE2 4Å; Y516-W523 HydrophobicContact CG-CZ2 4.01Å
524Q98.2Very high97.8Very high106 Ų10654.1 Ų54.150%0.49527%0.269SS..EExtended strand (participates in β ladder)trans-134.5133.1176.4-176.5-175.39.300109.5E514 R515E514-Q524 CarbonylContact C-O 3.6Å; E514-Q524 VanDerWaalsContact CA-O 3.23Å; E514-Q524 WeakPolarHBondContact CA-O 3.46Å; R515-Q524 HydrophobicContact CG-CB 4.32Å; R515-Q524 PolarHBondContact N-O 2.94Å; R515-Q524 PolarHBondContact O-N 2.81Å
525M98Very high97.7Very high86 Ų8655.7 Ų55.742%0.42428%0.278SS..EExtended strand (participates in β ladder)trans-66.6141.9174-65.4-60.6-64.200111.8N483 T512 E514N483-M525 HydrophobicContact CB-SD 4.32Å; T512-M525 HydrophobicContact CG2-CE 4.07Å; E514-M525 HydrophobicContact CB-SD 3.99Å
526M98.1Very high97.6Very high29 Ų2954.2 Ų54.214%0.14327%0.272CS..EExtended strand (participates in β ladder)trans-122.9168.3179.9-61-51.2-61.700110.3Y499 V513 R515 S528 W565Y499-M526 HydrophobicContact CD1-CG 4.47Å; Y499-M526 HydrophobicContact CE1-CG 4.06Å; V513-M526 HydrophobicContact CB-CB 4.06Å; V513-M526 HydrophobicContact CG1-CB 3.95Å; V513-M526 HydrophobicContact CG1-CG 4.5Å; V513-M526 PolarHBondContact O-N 3.2Å; R515-M526 HydrophobicContact CB-CG 4.13Å; R515-M526 VanDerWaalsContact CD-SD 3.56Å; R515-M526 HydrophobicContact CG-CG 3.96Å; R515-M526 HydrophobicContact CG-SD 3.81Å; M526-S528 PolarHBondContact O-N 3.48Å; M526-W565 HydrophobicContact CB-CH2 3.86Å; M526-W565 HydrophobicContact CB-CZ3 4.37Å; M526-W565 HydrophobicContact CE-CH2 3.5Å; M526-W565 HydrophobicContact CE-CZ2 3.87Å; M526-W565 HydrophobicContact CG-CH2 4.2Å
527P98Very high97.6Very high35 Ų3554.1 Ų54.123%0.22727%0.273CS..PPolyproline II helixtrans-47.6131.4172.4-3238.1000112.9V513 W565 T571 W573V513-P527 WeakPolarHBondContact CG2-O 3.3Å; P527-W565 HydrophobicContact CB-CZ2 4.38Å; P527-W565 HydrophobicContact CG-CZ2 3.81Å; P527-T571 VanDerWaalsContact CB-O 3.24Å; P527-T571 WeakPolarHBondContact CB-O 3.09Å; P527-T571 VanDerWaalsContact CG-O 3.28Å; P527-T571 WeakPolarHBondContact CG-O 3.42Å; P527-W573 PolarHBondContact O-NE1 3.28Å
528S98.3Very high97.6Very high49 Ų4953.6 Ų53.634%0.34327%0.271SS..PPolyproline II helixtrans-76.8145.9178.8-66.30000111.5R511 M526R511-S528 CarbonylContact O-C 3.58Å; R511-S528 WeakPolarHBondContact O-CA 3.23Å; M526-S528 PolarHBondContact O-N 3.48Å
529M98.4Very high97.7Very high5 Ų552.5 Ų52.53%0.02526%0.264CS..PPolyproline II helixtrans-56.3161.3169.9-69.6-177.1-59.200111.9I501 R511 V513 R533 F536 V547 E563 W573I501-M529 HydrophobicContact CG2-CE 3.78Å; I501-M529 HydrophobicContact CG2-CG 4.19Å; I501-M529 HydrophobicContact CG2-SD 3.35Å; I501-M529 WeakPolarHBondContact CG2-SD 3.42Å; R511-M529 HydrophobicContact CB-CB 4.14Å; R511-M529 WeakPolarHBondContact CD-O 3.35Å; R511-M529 PolarHBondContact O-N 2.96Å; V513-M529 HydrophobicContact CG2-CG 4.2Å; M529-R533 HydrophobicContact CE-CG 3.54Å; M529-R533 HydrophobicContact SD-CG 3.97Å; M529-F536 HydrophobicContact CE-CZ 4.27Å; M529-F536 HydrophobicContact SD-CE2 4.43Å; M529-F536 HydrophobicContact SD-CZ 4.34Å; M529-V547 HydrophobicContact CG-CG2 4.46Å; M529-V547 HydrophobicContact SD-CB 4.25Å; M529-V547 HydrophobicContact SD-CG1 4.08Å; M529-V547 HydrophobicContact SD-CG2 3.75Å; M529-E563 WeakPolarHBondContact CB-OE1 3.45Å; M529-W573 HydrophobicContact CG-CD2 4.01Å; M529-W573 HydrophobicContact CG-CE3 4.32Å; M529-W573 HydrophobicContact CG-CH2 4.32Å; M529-W573 HydrophobicContact CG-CZ2 4Å; M529-W573 HydrophobicContact CG-CZ3 4.47Å
530I97.5Very high97.7Very high75 Ų7547.8 Ų47.839%0.38524%0.24SC..SBendtrans-66.5-47.7173.1-57.4165.7000109.6E563 W573 P575I530-E563 WeakPolarHBondContact CA-OE2 3.43Å; I530-E563 WeakPolarHBondContact CB-OE2 3.44Å; I530-E563 HydrophobicContact CD1-CB 4.21Å; I530-E563 WeakPolarHBondContact CG1-OE2 3.46Å; I530-E563 PolarHBondContact N-OE2 3.12Å; I530-W573 HydrophobicContact CD1-CB 4.45Å; I530-W573 HydrophobicContact CG1-CB 4.07Å; I530-P575 HydrophobicContact CD1-CB 4.35Å
531H95.8Very high97.5Very high69 Ų6944.2 Ų44.232%0.31922%0.218SC..SBendtrans-110.2147.4-175.8-60.9-71.5000112.8
532K97.1Very high97.1Very high49 Ų4944.1 Ų44.121%0.21322%0.217CC..  trans-70.2134.3165.8-66.3176.3174.3-169.30109.1R509 R511R509-K532 HydrophobicContact CB-CB 4.07Å; R509-K532 VanDerWaalsContact O-CD 3.26Å; R509-K532 WeakPolarHBondContact O-CD 3.35Å; R509-K532 WeakPolarHBondContact O-CG 3.46Å; R511-K532 HydrophobicContact CB-CG 4.28Å
533R97.3Very high96.8Very high0 Ų042.5 Ų42.50%022%0.218CC..  trans-155.5144179.754.6178.786.3-135.30.1113.1G503 L510 M529 F536 G549 W551 I559 S561 E563G503-R533 PolarHBondContact N-O 3Å; L510-R533 PolarHBondContact O-N 3.24Å; L510-R533 VanDerWaalsContact O-N 3.16Å; M529-R533 HydrophobicContact CE-CG 3.54Å; M529-R533 HydrophobicContact SD-CG 3.97Å; R533-F536 HydrophobicContact CB-CD1 3.83Å; R533-F536 HydrophobicContact CB-CE1 4.3Å; R533-F536 HydrophobicContact CB-CG 4.31Å; R533-F536 HydrophobicContact CG-CD1 3.51Å; R533-F536 HydrophobicContact CG-CD2 4.32Å; R533-F536 HydrophobicContact CG-CE1 3.62Å; R533-F536 HydrophobicContact CG-CE2 4.39Å; R533-F536 HydrophobicContact CG-CG 3.9Å; R533-F536 HydrophobicContact CG-CZ 4.04Å; R533-F536 WeakPolarHBondContact O-CE1 3.32Å; R533-G549 PolarHBondContact NH1-O 2.92Å; R533-W551 WeakPolarHBondContact CA-O 3.36Å; R533-I559 HydrophobicContact CB-CD1 4.31Å; R533-S561 PolarHBondContact NH1-O 3.01Å; R533-S561 PolarHBondContact NH2-OG 2.66Å; R533-E563 IonicContact CZ-OE1 2.74Å; R533-E563 IonicContact NE-OE1 3.4Å; R533-E563 PolarHBondContact NE-OE1 3.47Å; R533-E563 VanDerWaalsContact NE-OE1 3.07Å; R533-E563 IonicContact NH2-OE1 3.4Å; R533-E563 PolarHBondContact NH2-OE1 2.76Å
534S97.4Very high96.6Very high3 Ų342.5 Ų42.52%0.02122%0.219CC..BIsolated β-bridgetrans-128.1163.7162.567.50000110.8G488 F536 G550 W551G488-S534 WeakPolarHBondContact O-CA 3.44Å; S534-F536 VanDerWaalsContact C-N 3.27Å; S534-F536 PolarHBondContact O-N 2.9Å; S534-G550 CarbonylContact O-C 3.55Å; S534-G550 VanDerWaalsContact O-CA 3.23Å; S534-G550 WeakPolarHBondContact O-CA 3.45Å; S534-W551 PolarHBondContact N-O 2.78Å; S534-W551 VanDerWaalsContact N-O 3.17Å; S534-W551 PolarHBondContact O-N 3.47Å
535N96.8Very high96.6Very high33 Ų3337.5 Ų37.518%0.17620%0.196CC..SBendtrans53.643.4178.4-62.2-39.9000113.1Y347 D441 G488 S584 A585Y347-N535 HydrophobicContact CE1-CB 4.5Å; D441-N535 PolarHBondContact OD1-OD1 3.42Å; G488-N535 WeakPolarHBondContact CA-OD1 3.4Å; G488-N535 PolarHBondContact O-N 3.18Å; N535-S584 CarbonylContact O-C 3.54Å; N535-S584 WeakPolarHBondContact O-CA 3.26Å; N535-A585 PolarHBondContact O-N 3.23Å
536F97.3Very high96.7Very high12 Ų1233.4 Ų33.45%0.05318%0.176CC..  trans-108.5169.2-179.660.7-82.4000110.6S490 I501 M529 R533 S534 V547 I548 G549S490-F536 VanDerWaalsContact CB-CZ 3.42Å; S490-F536 WeakPolarHBondContact OG-CD2 3.33Å; S490-F536 VanDerWaalsContact OG-CE2 3.22Å; S490-F536 WeakPolarHBondContact OG-CE2 3.22Å; S490-F536 WeakPolarHBondContact OG-CZ 3.39Å; S490-F536 PolarHBondContact OG-O 3.35Å; I501-F536 HydrophobicContact CB-CE2 4.47Å; I501-F536 HydrophobicContact CB-CZ 4.12Å; I501-F536 HydrophobicContact CG2-CE2 3.97Å; I501-F536 HydrophobicContact CG2-CZ 3.73Å; I501-F536 WeakPolarHBondContact O-CZ 3.49Å; M529-F536 HydrophobicContact CE-CZ 4.27Å; M529-F536 HydrophobicContact SD-CE2 4.43Å; M529-F536 HydrophobicContact SD-CZ 4.34Å; R533-F536 HydrophobicContact CB-CD1 3.83Å; R533-F536 HydrophobicContact CB-CE1 4.3Å; R533-F536 HydrophobicContact CB-CG 4.31Å; R533-F536 HydrophobicContact CG-CD1 3.51Å; R533-F536 HydrophobicContact CG-CD2 4.32Å; R533-F536 HydrophobicContact CG-CE1 3.62Å; R533-F536 HydrophobicContact CG-CE2 4.39Å; R533-F536 HydrophobicContact CG-CG 3.9Å; R533-F536 HydrophobicContact CG-CZ 4.04Å; R533-F536 WeakPolarHBondContact O-CE1 3.32Å; S534-F536 VanDerWaalsContact C-N 3.27Å; S534-F536 PolarHBondContact O-N 2.9Å; F536-V547 HydrophobicContact CD2-CB 3.78Å; F536-V547 HydrophobicContact CD2-CG1 4.18Å; F536-V547 HydrophobicContact CE2-CB 3.73Å; F536-V547 HydrophobicContact CE2-CG1 3.64Å; F536-I548 WeakPolarHBondContact CB-O 3.38Å; F536-G549 WeakPolarHBondContact CB-O 3.2Å
537C97.4Very high96.7Very high4 Ų432 Ų323%0.02717%0.169CC..EExtended strand (participates in β ladder)trans-88.5139.3176.6-85.60000110.7V547 I548 S586 C588C537-V547 CarbonylContact O-C 3.49Å; C537-V547 VanDerWaalsContact O-CA 3.3Å; C537-V547 WeakPolarHBondContact O-CA 3.47Å; C537-I548 HydrophobicContact CB-CB 3.87Å; C537-I548 HydrophobicContact CB-CD1 4.44Å; C537-I548 HydrophobicContact CB-CG2 4.44Å; C537-I548 PolarHBondContact N-O 2.82Å; C537-I548 PolarHBondContact O-N 2.91Å; C537-S586 PolarHBondContact SG-O 3.3Å; C537-C588 HydrophobicContact CB-CB 3.77Å; C537-C588 WeakPolarHBondContact CB-SG 3.41Å; C537-C588 VanDerWaalsContact SG-CB 3.58Å
538V98.1Very high96.7Very high22 Ų2230.5 Ų30.513%0.13316%0.159CC..EExtended strand (participates in β ladder)trans-126.5135.2169.466.50000110.5I492 I501 I545 Y546 V547 C588I492-V538 HydrophobicContact CB-CG1 4.1Å; I492-V538 HydrophobicContact CB-CG2 3.95Å; I492-V538 HydrophobicContact CD1-CG1 4.45Å; I492-V538 HydrophobicContact CD1-CG2 4.02Å; I492-V538 HydrophobicContact CG2-CG2 3.74Å; I501-V538 HydrophobicContact CD1-CG2 3.81Å; V538-I545 HydrophobicContact CG2-CG2 3.85Å; V538-Y546 WeakPolarHBondContact CA-O 3.31Å; V538-V547 HydrophobicContact CG2-CG1 4.22Å; V538-C588 PolarHBondContact O-SG 3.13Å
539T97.8Very high96.6Very high12 Ų1228.2 Ų28.27%0.07414%0.143CC..EExtended strand (participates in β ladder)trans-153.6171.2173.3-1650000111I303 I492 Y546 I548 T590I303-T539 HydrophobicContact CB-CG2 4.28Å; I303-T539 HydrophobicContact CD1-CG2 3.56Å; I303-T539 HydrophobicContact CG1-CG2 3.63Å; I303-T539 HydrophobicContact CG2-CG2 3.69Å; I492-T539 VanDerWaalsContact CD1-C 3.47Å; T539-Y546 PolarHBondContact N-O 3.31Å; T539-Y546 PolarHBondContact O-N 3.4Å; T539-I548 HydrophobicContact CG2-CD1 4.36Å; T539-T590 WeakPolarHBondContact CG2-OG1 3.4Å; T539-T590 PolarHBondContact OG1-OG1 2.72Å
540T96.8Very high96.5Very high49 Ų4928 Ų2830%0.30114%0.142SC..EExtended strand (participates in β ladder)trans-108.9139.8173.356.50000111.1I492 Y494 M544 I545 T590I492-T540 HydrophobicContact CD1-CG2 3.75Å; I492-T540 HydrophobicContact CG1-CG2 4.19Å; Y494-T540 HydrophobicContact CD2-CG2 3.73Å; T540-M544 CarbonylContact C-O 3.14Å; T540-M544 VanDerWaalsContact CA-O 3.24Å; T540-M544 WeakPolarHBondContact CA-O 3.48Å; T540-I545 HydrophobicContact CG2-CG1 4.44Å; T540-T590 WeakPolarHBondContact O-CB 3.35Å; T540-T590 WeakPolarHBondContact O-CG2 3.26Å; T540-T590 PolarHBondContact O-OG1 3.21Å
541L95Very high96.3Very high4 Ų427.1 Ų27.12%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-150134.9171.3176.2147.7000108.9T301 I303 S329 E543 M544 Y546T301-L541 HydrophobicContact CG2-CD1 4.1Å; T301-L541 HydrophobicContact CG2-CG 4.26Å; I303-L541 HydrophobicContact CD1-CB 4.01Å; I303-L541 HydrophobicContact CD1-CD1 4.08Å; I303-L541 HydrophobicContact CG1-CB 4.17Å; I303-L541 HydrophobicContact CG1-CD1 3.73Å; S329-L541 VanDerWaalsContact CB-CD2 3.49Å; L541-E543 PolarHBondContact O-N 2.74Å; L541-M544 PolarHBondContact N-O 2.86Å; L541-M544 WeakPolarHBondContact O-CB 3.18Å; L541-M544 PolarHBondContact O-N 3Å; L541-Y546 HydrophobicContact CB-CD2 4.01Å; L541-Y546 HydrophobicContact CB-CE2 3.85Å; L541-Y546 HydrophobicContact CD2-CE2 3.84Å; L541-Y546 HydrophobicContact CG-CE2 4.47Å
542D88.9Confident96.1Very high72 Ų7224 Ų2439%0.38512%0.12SC..THydrogen-bonded Turntrans46.251.9177.5-58.8-26.4000113.9S329 M544S329-D542 PolarHBondContact OG-OD2 3.24Å; D542-M544 HydrophobicContact CB-CE 3.99Å; D542-M544 WeakPolarHBondContact O-CE 3.23Å; D542-M544 PolarHBondContact O-N 2.89Å
543E91.2Very high95.7Very high152 Ų15224.2 Ų24.271%0.7112%0.123SC*.THydrogen-bonded Turntrans62.620.9179.7-58.1177.4-171.100115.1Y494 L541Y494-E543 PolarHBondContact OH-O 2.94Å; L541-E543 PolarHBondContact O-N 2.74Å
544M95.9Very high95.2Very high27 Ų2730.7 Ų30.713%0.13315%0.153CC..EExtended strand (participates in β ladder)trans-124147.1176.8-72.6168.1-79.900110.7T540 L541 D542 Y546 R564 W565 S566T540-M544 CarbonylContact C-O 3.14Å; T540-M544 VanDerWaalsContact CA-O 3.24Å; T540-M544 WeakPolarHBondContact CA-O 3.48Å; L541-M544 PolarHBondContact N-O 2.86Å; L541-M544 WeakPolarHBondContact O-CB 3.18Å; L541-M544 PolarHBondContact O-N 3Å; D542-M544 HydrophobicContact CB-CE 3.99Å; D542-M544 WeakPolarHBondContact O-CE 3.23Å; D542-M544 PolarHBondContact O-N 2.89Å; M544-Y546 HydrophobicContact CB-CD2 4.17Å; M544-Y546 HydrophobicContact CB-CE2 3.75Å; M544-R564 VanDerWaalsContact SD-CD 3.53Å; M544-R564 HydrophobicContact SD-CG 4.24Å; M544-W565 WeakPolarHBondContact CA-O 3.06Å; M544-S566 WeakPolarHBondContact CG-OG 3.37Å
545I98.3Very high94.5Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-87.3128.4166.2-60.8177.3000107.3I492 Y494 Y499 I501 V538 T540 R564 W565 P567 W573I492-I545 HydrophobicContact CG2-CD1 4.29Å; I492-I545 HydrophobicContact CG2-CG2 4.31Å; Y494-I545 HydrophobicContact CD2-CG1 4.16Å; Y494-I545 HydrophobicContact CG-CD1 4.17Å; Y494-I545 HydrophobicContact CG-CG1 4.13Å; Y499-I545 HydrophobicContact CD1-CD1 4.29Å; Y499-I545 HydrophobicContact CD2-CD1 4.32Å; Y499-I545 HydrophobicContact CE1-CD1 4.43Å; Y499-I545 HydrophobicContact CE2-CD1 4.49Å; Y499-I545 HydrophobicContact CG-CD1 4.23Å; I501-I545 HydrophobicContact CD1-CG2 3.99Å; V538-I545 HydrophobicContact CG2-CG2 3.85Å; T540-I545 HydrophobicContact CG2-CG1 4.44Å; I545-R564 CarbonylContact O-C 3.54Å; I545-R564 WeakPolarHBondContact O-CA 3.3Å; I545-R564 WeakPolarHBondContact O-CB 3.36Å; I545-W565 HydrophobicContact CD1-CE3 4.42Å; I545-W565 HydrophobicContact CD1-CZ3 4.43Å; I545-W565 PolarHBondContact N-O 3.1Å; I545-W565 PolarHBondContact O-N 3.25Å; I545-P567 HydrophobicContact CD1-CG 3.67Å; I545-P567 HydrophobicContact CG1-CG 4.04Å; I545-W573 HydrophobicContact CB-CH2 4.38Å; I545-W573 HydrophobicContact CG2-CH2 3.97Å; I545-W573 HydrophobicContact CG2-CZ3 4.49Å
546Y98.5Very high94Very high1 Ų136.7 Ų36.70%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-109.6136.9174.3-78.6-105.7000109.6I303 Y327 V538 T539 L541 M544 V562 E563 R564 V576I303-Y546 HydrophobicContact CD1-CD1 3.99Å; I303-Y546 HydrophobicContact CD1-CD2 4.15Å; I303-Y546 HydrophobicContact CD1-CG 3.78Å; Y327-Y546 AromaticContact CE1-CE1 3.84Å; Y327-Y546 HydrophobicContact CE1-CE1 3.84Å; V538-Y546 WeakPolarHBondContact CA-O 3.31Å; T539-Y546 PolarHBondContact N-O 3.31Å; T539-Y546 PolarHBondContact O-N 3.4Å; L541-Y546 HydrophobicContact CB-CD2 4.01Å; L541-Y546 HydrophobicContact CB-CE2 3.85Å; L541-Y546 HydrophobicContact CD2-CE2 3.84Å; L541-Y546 HydrophobicContact CG-CE2 4.47Å; M544-Y546 HydrophobicContact CB-CD2 4.17Å; M544-Y546 HydrophobicContact CB-CE2 3.75Å; Y546-V562 HydrophobicContact CD1-CG1 4.28Å; Y546-E563 WeakPolarHBondContact CA-O 3.45Å; Y546-R564 HydrophobicContact CD1-CB 3.88Å; Y546-R564 HydrophobicContact CD2-CB 4.12Å; Y546-R564 HydrophobicContact CE1-CB 3.85Å; Y546-R564 HydrophobicContact CE1-CG 4.46Å; Y546-R564 HydrophobicContact CE2-CB 4.08Å; Y546-R564 HydrophobicContact CG-CB 4.02Å; Y546-R564 WeakPolarHBondContact OH-CD 3.36Å; Y546-R564 PolarHBondContact OH-NH1 3.18Å; Y546-V576 HydrophobicContact CD1-CG2 4.34Å; Y546-V576 HydrophobicContact CE1-CG1 4.11Å; Y546-V576 HydrophobicContact CE1-CG2 3.87Å
547V98.5Very high93.6Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-122.1133.1169.9-56.60000109.6I501 M529 F536 C537 V538 V562 E563 W573I501-V547 HydrophobicContact CG2-CG1 3.99Å; M529-V547 HydrophobicContact CG-CG2 4.46Å; M529-V547 HydrophobicContact SD-CB 4.25Å; M529-V547 HydrophobicContact SD-CG1 4.08Å; M529-V547 HydrophobicContact SD-CG2 3.75Å; F536-V547 HydrophobicContact CD2-CB 3.78Å; F536-V547 HydrophobicContact CD2-CG1 4.18Å; F536-V547 HydrophobicContact CE2-CB 3.73Å; F536-V547 HydrophobicContact CE2-CG1 3.64Å; C537-V547 CarbonylContact O-C 3.49Å; C537-V547 VanDerWaalsContact O-CA 3.3Å; C537-V547 WeakPolarHBondContact O-CA 3.47Å; V538-V547 HydrophobicContact CG2-CG1 4.22Å; V547-V562 WeakPolarHBondContact O-CA 3.4Å; V547-E563 HydrophobicContact CG2-CB 4.41Å; V547-E563 HydrophobicContact CG2-CG 3.11Å; V547-E563 PolarHBondContact N-O 3.21Å; V547-E563 PolarHBondContact O-N 2.86Å; V547-W573 HydrophobicContact CB-CZ3 4.49Å; V547-W573 HydrophobicContact CG1-CH2 3.89Å; V547-W573 HydrophobicContact CG1-CZ3 3.85Å; V547-W573 HydrophobicContact CG2-CE3 4.35Å; V547-W573 HydrophobicContact CG2-CZ3 3.91Å
548I98Very high93.3Very high3 Ų337.4 Ų37.42%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-135.1119.9-161.2-61.2150.5000109.9I303 V305 W334 F536 C537 T539 V562 L579I303-I548 HydrophobicContact CD1-CD1 4.33Å; I303-I548 HydrophobicContact CG2-CD1 3.72Å; V305-I548 HydrophobicContact CG2-CD1 4.13Å; V305-I548 HydrophobicContact CG2-CG2 3.73Å; W334-I548 HydrophobicContact CH2-CD1 4.32Å; W334-I548 HydrophobicContact CH2-CG1 4.47Å; W334-I548 HydrophobicContact CH2-CG2 4.12Å; W334-I548 HydrophobicContact CZ2-CG2 4.4Å; F536-I548 WeakPolarHBondContact CB-O 3.38Å; C537-I548 HydrophobicContact CB-CB 3.87Å; C537-I548 HydrophobicContact CB-CD1 4.44Å; C537-I548 HydrophobicContact CB-CG2 4.44Å; C537-I548 PolarHBondContact N-O 2.82Å; C537-I548 PolarHBondContact O-N 2.91Å; T539-I548 HydrophobicContact CG2-CD1 4.36Å; I548-V562 HydrophobicContact CB-CG2 4.48Å; I548-V562 HydrophobicContact CG1-CG1 3.71Å; I548-V562 HydrophobicContact CG1-CG2 4.39Å; I548-V562 HydrophobicContact CG2-CG2 4.07Å; I548-L579 HydrophobicContact CG2-CD1 3.71Å; I548-L579 HydrophobicContact CG2-CD2 3.84Å; I548-L579 HydrophobicContact CG2-CG 3.95Å
549G96.1Very high93.1Very high1 Ų137 Ų371%0.0119%0.191CC..  trans64.8-148.7178.100000113.2R533 F536 I559 S561 A583R533-G549 PolarHBondContact NH1-O 2.92Å; F536-G549 WeakPolarHBondContact CB-O 3.2Å; G549-I559 WeakPolarHBondContact CA-O 3.17Å; G549-S561 PolarHBondContact N-O 2.72Å; G549-A583 CarbonylContact C-O 3.55Å; G549-A583 WeakPolarHBondContact CA-O 3.31Å
550G95.8Very high92.9Very high0 Ų037.6 Ų37.60%020%0.196CC..  trans115.5-171.4-176.700000113.1S534 T558 I559 A583S534-G550 CarbonylContact O-C 3.55Å; S534-G550 VanDerWaalsContact O-CA 3.23Å; S534-G550 WeakPolarHBondContact O-CA 3.45Å; G550-T558 CarbonylContact O-C 3.54Å; G550-T558 VanDerWaalsContact O-CA 3.26Å; G550-T558 WeakPolarHBondContact O-CA 3.18Å; G550-I559 PolarHBondContact O-N 2.96Å; G550-A583 PolarHBondContact N-O 3.09Å
551W94Very high92.8Very high57 Ų5735.8 Ų35.822%0.21619%0.185CC..EExtended strand (participates in β ladder)trans-108.7131.3171.5-169.3-76.4000110.2R533 S534 N556 T558R533-W551 WeakPolarHBondContact CA-O 3.36Å; S534-W551 PolarHBondContact N-O 2.78Å; S534-W551 VanDerWaalsContact N-O 3.17Å; S534-W551 PolarHBondContact O-N 3.47Å; W551-N556 VanDerWaalsContact CZ2-O 3.31Å; W551-N556 WeakPolarHBondContact CZ2-O 3.43Å; W551-T558 HydrophobicContact CE3-CG2 3.96Å; W551-T558 HydrophobicContact CZ3-CG2 4.11Å
552N92.4Very high93Very high4 Ų435.8 Ų35.82%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-115.7136.6175.2-172.3-14.1000110.2E554 N556 S557 I559N552-E554 PolarHBondContact ND2-OE2 3.02Å; N552-E554 WeakPolarHBondContact OD1-CB 3.19Å; N552-E554 PolarHBondContact OD1-N 3.39Å; N552-N556 VanDerWaalsContact O-CA 3.28Å; N552-N556 WeakPolarHBondContact O-CA 3.36Å; N552-N556 PolarHBondContact O-N 3.07Å; N552-S557 PolarHBondContact N-O 2.88Å; N552-S557 VanDerWaalsContact N-O 3.13Å; N552-S557 PolarHBondContact O-N 3.3Å; N552-I559 HydrophobicContact CB-CD1 4.25Å; N552-I559 HydrophobicContact CB-CG2 3.59Å
553D88.2Confident93.4Very high52 Ų5232.5 Ų32.528%0.27817%0.167SC..THydrogen-bonded Turntrans-66.8-35.7174.9-72.5-32.7000112.2R509 T555 N556R509-D553 WeakPolarHBondContact CD-OD1 3.5Å; R509-D553 WeakPolarHBondContact CD-OD2 3.12Å; R509-D553 IonicContact CZ-OD1 3.27Å; R509-D553 PolarHBondContact N-OD2 3Å; R509-D553 IonicContact NE-OD1 3.09Å; R509-D553 PolarHBondContact NE-OD1 2.87Å; R509-D553 IonicContact NH1-OD1 3.28Å; R509-D553 PolarHBondContact NH1-OD1 3.03Å; R509-D553 IonicContact NH1-OD2 2.82Å; D553-T555 VanDerWaalsContact C-N 3.29Å; D553-T555 PolarHBondContact O-N 2.64Å; D553-N556 PolarHBondContact O-N 2.86Å; D553-N556 VanDerWaalsContact O-N 3.1Å
554E86.6Confident93.7Very high136 Ų13628.5 Ų28.564%0.63615%0.146SC*.THydrogen-bonded Turntrans-63.3-37-176.3-66.5167.6176.300111.9N552N552-E554 PolarHBondContact ND2-OE2 3.02Å; N552-E554 WeakPolarHBondContact OD1-CB 3.19Å; N552-E554 PolarHBondContact OD1-N 3.39Å
555T83.5Confident93.8Very high74 Ų7427.4 Ų27.445%0.45414%0.14SC..THydrogen-bonded Turntrans-97.4-4.9175.864.40000112.5D553 S557D553-T555 VanDerWaalsContact C-N 3.29Å; D553-T555 PolarHBondContact O-N 2.64Å; T555-S557 WeakPolarHBondContact CB-OG 3.47Å; T555-S557 WeakPolarHBondContact O-CB 3.41Å; T555-S557 PolarHBondContact O-N 2.82Å; T555-S557 VanDerWaalsContact O-N 3.08Å; T555-S557 PolarHBondContact O-OG 3.19Å; T555-S557 PolarHBondContact OG1-OG 3.14Å; T555-S557 VanDerWaalsContact OG1-OG 3.05Å
556N85.9Confident93.7Very high88 Ų8828.4 Ų28.447%0.47115%0.147SC..THydrogen-bonded Turntrans39.643.5-170-165.730000113.6V313 W551 N552 D553V313-N556 VanDerWaalsContact CG2-O 3.25Å; V313-N556 WeakPolarHBondContact CG2-O 3.36Å; W551-N556 VanDerWaalsContact CZ2-O 3.31Å; W551-N556 WeakPolarHBondContact CZ2-O 3.43Å; N552-N556 VanDerWaalsContact O-CA 3.28Å; N552-N556 WeakPolarHBondContact O-CA 3.36Å; N552-N556 PolarHBondContact O-N 3.07Å; D553-N556 PolarHBondContact O-N 2.86Å; D553-N556 VanDerWaalsContact O-N 3.1Å
557S88.9Confident93.5Very high20 Ų2029.2 Ų29.214%0.1415%0.152CC..EExtended strand (participates in β ladder)trans-160.1170.5-171.652.40000112.3N552 T555N552-S557 PolarHBondContact N-O 2.88Å; N552-S557 VanDerWaalsContact N-O 3.13Å; N552-S557 PolarHBondContact O-N 3.3Å; T555-S557 WeakPolarHBondContact CB-OG 3.47Å; T555-S557 WeakPolarHBondContact O-CB 3.41Å; T555-S557 PolarHBondContact O-N 2.82Å; T555-S557 VanDerWaalsContact O-N 3.08Å; T555-S557 PolarHBondContact O-OG 3.19Å; T555-S557 PolarHBondContact OG1-OG 3.14Å; T555-S557 VanDerWaalsContact OG1-OG 3.05Å
558T91.3Very high93.2Very high11 Ų1134 Ų347%0.06718%0.178CC..EExtended strand (participates in β ladder)trans-62.5139.6167570000110.8G550 W551 P582 S584G550-T558 CarbonylContact O-C 3.54Å; G550-T558 VanDerWaalsContact O-CA 3.26Å; G550-T558 WeakPolarHBondContact O-CA 3.18Å; W551-T558 HydrophobicContact CE3-CG2 3.96Å; W551-T558 HydrophobicContact CZ3-CG2 4.11Å; T558-P582 VanDerWaalsContact O-CB 3.31Å; T558-P582 WeakPolarHBondContact O-CB 3.31Å; T558-P582 WeakPolarHBondContact OG1-CB 3.26Å; T558-S584 WeakPolarHBondContact CG2-OG 3.41Å
559I93.1Very high92.8Very high15 Ų1538.8 Ų38.88%0.07721%0.212CC..  trans-110.7152.7-179.768.1-171.8000111.8R533 G549 G550 N552 S561 A583R533-I559 HydrophobicContact CB-CD1 4.31Å; G549-I559 WeakPolarHBondContact CA-O 3.17Å; G550-I559 PolarHBondContact O-N 2.96Å; N552-I559 HydrophobicContact CB-CD1 4.25Å; N552-I559 HydrophobicContact CB-CG2 3.59Å; I559-S561 VanDerWaalsContact CD1-OG 3.3Å; I559-S561 WeakPolarHBondContact CD1-OG 3.48Å; I559-A583 PolarHBondContact O-N 2.83Å
560S93.6Very high92.6Very high24 Ų2440.2 Ų40.217%0.16822%0.221CC..  trans-90.7-10.217349.90000112.9E578 L579S560-E578 WeakPolarHBondContact O-CA 3.22Å; S560-E578 WeakPolarHBondContact O-CB 3.28Å; S560-E578 PolarHBondContact OG-OE2 3.49Å; S560-L579 WeakPolarHBondContact CB-O 3.38Å; S560-L579 PolarHBondContact O-N 3.23Å
561S96Very high92.5Very high11 Ų1144.9 Ų44.98%0.07725%0.25CS..  trans-64.9136.6-169.673.30000112.7R533 G549 I559R533-S561 PolarHBondContact NH1-O 3.01Å; R533-S561 PolarHBondContact NH2-OG 2.66Å; G549-S561 PolarHBondContact N-O 2.72Å; I559-S561 VanDerWaalsContact CD1-OG 3.3Å; I559-S561 WeakPolarHBondContact CD1-OG 3.48Å
562V98.1Very high92.6Very high4 Ų448.5 Ų48.52%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-124.1135.7175.3-173.50000107.1W334 Y546 V547 I548 V576 L579W334-V562 HydrophobicContact CZ2-CG1 4.46Å; W334-V562 HydrophobicContact CZ2-CG2 3.89Å; Y546-V562 HydrophobicContact CD1-CG1 4.28Å; V547-V562 WeakPolarHBondContact O-CA 3.4Å; I548-V562 HydrophobicContact CB-CG2 4.48Å; I548-V562 HydrophobicContact CG1-CG1 3.71Å; I548-V562 HydrophobicContact CG1-CG2 4.39Å; I548-V562 HydrophobicContact CG2-CG2 4.07Å; V562-V576 HydrophobicContact CB-CB 3.98Å; V562-V576 HydrophobicContact CB-CG1 4.3Å; V562-V576 HydrophobicContact CG1-CB 3.79Å; V562-V576 HydrophobicContact CG1-CG1 3.92Å; V562-V576 HydrophobicContact CG1-CG2 4.47Å; V562-V576 PolarHBondContact O-N 3.32Å; V562-L579 HydrophobicContact CG2-CG 4.11Å
563E98Very high92.9Very high2 Ų249.1 Ų49.11%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-141.3155.7175.961.1-172.4143.300109.7M529 I530 R533 Y546 V547 W573 E574M529-E563 WeakPolarHBondContact CB-OE1 3.45Å; I530-E563 WeakPolarHBondContact CA-OE2 3.43Å; I530-E563 WeakPolarHBondContact CB-OE2 3.44Å; I530-E563 HydrophobicContact CD1-CB 4.21Å; I530-E563 WeakPolarHBondContact CG1-OE2 3.46Å; I530-E563 PolarHBondContact N-OE2 3.12Å; R533-E563 IonicContact CZ-OE1 2.74Å; R533-E563 IonicContact NE-OE1 3.4Å; R533-E563 PolarHBondContact NE-OE1 3.47Å; R533-E563 VanDerWaalsContact NE-OE1 3.07Å; R533-E563 IonicContact NH2-OE1 3.4Å; R533-E563 PolarHBondContact NH2-OE1 2.76Å; Y546-E563 WeakPolarHBondContact CA-O 3.45Å; V547-E563 HydrophobicContact CG2-CB 4.41Å; V547-E563 HydrophobicContact CG2-CG 3.11Å; V547-E563 PolarHBondContact N-O 3.21Å; V547-E563 PolarHBondContact O-N 2.86Å; E563-W573 HydrophobicContact CB-CE3 4.44Å; E563-W573 HydrophobicContact CG-CE3 3.91Å; E563-W573 HydrophobicContact CG-CZ3 4.48Å; E563-E574 CarbonylContact C-O 3.51Å; E563-E574 WeakPolarHBondContact CA-O 3.44Å; E563-E574 WeakPolarHBondContact CB-O 3.15Å
564R97.8Very high93.3Very high69 Ų6950.5 Ų50.526%0.2628%0.276SS..EExtended strand (participates in β ladder)trans-134.1158.3-178.872-176.1-174.7-174.5-5.1111.4M544 I545 Y546 W573 E574 V576M544-R564 VanDerWaalsContact SD-CD 3.53Å; M544-R564 HydrophobicContact SD-CG 4.24Å; I545-R564 CarbonylContact O-C 3.54Å; I545-R564 WeakPolarHBondContact O-CA 3.3Å; I545-R564 WeakPolarHBondContact O-CB 3.36Å; Y546-R564 HydrophobicContact CD1-CB 3.88Å; Y546-R564 HydrophobicContact CD2-CB 4.12Å; Y546-R564 HydrophobicContact CE1-CB 3.85Å; Y546-R564 HydrophobicContact CE1-CG 4.46Å; Y546-R564 HydrophobicContact CE2-CB 4.08Å; Y546-R564 HydrophobicContact CG-CB 4.02Å; Y546-R564 WeakPolarHBondContact OH-CD 3.36Å; Y546-R564 PolarHBondContact OH-NH1 3.18Å; R564-W573 VanDerWaalsContact C-CE3 3.46Å; R564-W573 CarbonylContact O-C 3.58Å; R564-W573 WeakPolarHBondContact O-CA 3.4Å; R564-E574 HydrophobicContact CG-CB 4.25Å; R564-E574 IonicContact CZ-OE2 3.69Å; R564-E574 PolarHBondContact N-O 2.77Å; R564-E574 IonicContact NE-OE2 3.95Å; R564-E574 PolarHBondContact NE-OE2 3.09Å; R564-E574 IonicContact NH2-OE2 2.68Å; R564-E574 PolarHBondContact NH2-OE2 2.86Å; R564-E574 PolarHBondContact O-N 3.02Å; R564-V576 HydrophobicContact CB-CG2 3.93Å; R564-V576 HydrophobicContact CG-CG2 3.67Å
565W98.2Very high93.8Very high3 Ų349 Ų491%0.01128%0.278CS..EExtended strand (participates in β ladder)trans-147.4140.4174.9169.655000110.4Y499 M526 P527 M544 I545 P567 S570 H572 W573Y499-W565 HydrophobicContact CD1-CZ3 4.18Å; Y499-W565 AromaticContact CE1-CH2 3.95Å; Y499-W565 HydrophobicContact CE1-CH2 3.95Å; Y499-W565 AromaticContact CE1-CZ3 3.71Å; Y499-W565 HydrophobicContact CE1-CZ3 3.71Å; M526-W565 HydrophobicContact CB-CH2 3.86Å; M526-W565 HydrophobicContact CB-CZ3 4.37Å; M526-W565 HydrophobicContact CE-CH2 3.5Å; M526-W565 HydrophobicContact CE-CZ2 3.87Å; M526-W565 HydrophobicContact CG-CH2 4.2Å; P527-W565 HydrophobicContact CB-CZ2 4.38Å; P527-W565 HydrophobicContact CG-CZ2 3.81Å; M544-W565 WeakPolarHBondContact CA-O 3.06Å; I545-W565 HydrophobicContact CD1-CE3 4.42Å; I545-W565 HydrophobicContact CD1-CZ3 4.43Å; I545-W565 PolarHBondContact N-O 3.1Å; I545-W565 PolarHBondContact O-N 3.25Å; W565-P567 HydrophobicContact CD2-CG 4.19Å; W565-P567 HydrophobicContact CE3-CB 4.38Å; W565-P567 HydrophobicContact CE3-CG 3.83Å; W565-P567 HydrophobicContact CH2-CB 3.74Å; W565-P567 HydrophobicContact CH2-CG 4.06Å; W565-P567 HydrophobicContact CZ2-CB 3.93Å; W565-P567 HydrophobicContact CZ2-CG 4.4Å; W565-P567 HydrophobicContact CZ3-CB 3.99Å; W565-P567 HydrophobicContact CZ3-CG 3.77Å; W565-P567 WeakPolarHBondContact O-CD 3.39Å; W565-S570 PolarHBondContact NE1-O 3.17Å; W565-H572 VanDerWaalsContact CD1-O 3.26Å; W565-W573 HydrophobicContact CB-CD2 3.35Å; W565-W573 HydrophobicContact CB-CE3 3.46Å; W565-W573 VanDerWaalsContact CB-CE3 3.46Å; W565-W573 HydrophobicContact CB-CG 3.84Å; W565-W573 HydrophobicContact CB-CH2 3.96Å; W565-W573 HydrophobicContact CB-CZ2 3.86Å; W565-W573 HydrophobicContact CB-CZ3 3.76Å; W565-W573 HydrophobicContact CD2-CZ2 4.1Å; W565-W573 AromaticContact CE3-CE2 3.93Å; W565-W573 HydrophobicContact CE3-CH2 4.17Å; W565-W573 AromaticContact CE3-CZ2 3.52Å; W565-W573 HydrophobicContact CE3-CZ2 3.52Å; W565-W573 HydrophobicContact CG-CD2 4.13Å; W565-W573 AromaticContact CG-CE2 3.93Å; W565-W573 HydrophobicContact CG-CG 4.35Å; W565-W573 HydrophobicContact CG-CZ2 4.28Å; W565-W573 HydrophobicContact CZ3-CZ2 4.38Å
566S96Very high94.5Very high22 Ų2246.1 Ų46.115%0.15426%0.261CS..  trans-99100.4174-52.80000109.1M544 N568 S569 S570M544-S566 WeakPolarHBondContact CG-OG 3.37Å; S566-N568 PolarHBondContact O-N 3.07Å; S566-S569 WeakPolarHBondContact CB-OG 3.41Å; S566-S569 PolarHBondContact O-N 2.7Å; S566-S570 PolarHBondContact O-N 3.19Å
567P94.6Very high95Very high17 Ų1748.6 Ų48.611%0.1126%0.263CS..THydrogen-bonded Turntrans-60.5-24.7-172.3-25.936.9000114.9Y494 I545 W565Y494-P567 HydrophobicContact CD1-CB 4.06Å; Y494-P567 HydrophobicContact CD1-CG 3.65Å; Y494-P567 HydrophobicContact CE1-CB 3.96Å; Y494-P567 HydrophobicContact CE1-CG 3.68Å; Y494-P567 HydrophobicContact CG-CG 4.35Å; I545-P567 HydrophobicContact CD1-CG 3.67Å; I545-P567 HydrophobicContact CG1-CG 4.04Å; W565-P567 HydrophobicContact CD2-CG 4.19Å; W565-P567 HydrophobicContact CE3-CB 4.38Å; W565-P567 HydrophobicContact CE3-CG 3.83Å; W565-P567 HydrophobicContact CH2-CB 3.74Å; W565-P567 HydrophobicContact CH2-CG 4.06Å; W565-P567 HydrophobicContact CZ2-CB 3.93Å; W565-P567 HydrophobicContact CZ2-CG 4.4Å; W565-P567 HydrophobicContact CZ3-CB 3.99Å; W565-P567 HydrophobicContact CZ3-CG 3.77Å; W565-P567 WeakPolarHBondContact O-CD 3.39Å
568N90.9Very high95.3Very high101 Ų10151.9 Ų51.954%0.5428%0.277SS..THydrogen-bonded Turntrans-97.3-9.8-174.1-66.6-12000113.9D495 S566D495-N568 PolarHBondContact OD2-ND2 2.87Å; D495-N568 PolarHBondContact OD2-OD1 3.19Å; S566-N568 PolarHBondContact O-N 3.07Å
569S90.2Very high95.4Very high104 Ų10451.8 Ų51.873%0.72728%0.275SS*.THydrogen-bonded Turntrans-136.3-12.4-172.658.80000114.9S566S566-S569 WeakPolarHBondContact CB-OG 3.41Å; S566-S569 PolarHBondContact O-N 2.7Å
570S91.6Very high95.2Very high30 Ų3056.3 Ų56.321%0.2130%0.296CS..  trans-129147.4-179.5-178.10000112.1W565 S566 H572W565-S570 PolarHBondContact NE1-O 3.17Å; S566-S570 PolarHBondContact O-N 3.19Å; S570-H572 PolarHBondContact OG-N 2.83Å; S570-H572 PolarHBondContact OG-O 3.13Å
571T94Very high94.8Very high99 Ų9957 Ų5761%0.60730%0.297SS*.SBendtrans-98.41.5171.249.60000113P527P527-T571 VanDerWaalsContact CB-O 3.24Å; P527-T571 WeakPolarHBondContact CB-O 3.09Å; P527-T571 VanDerWaalsContact CG-O 3.28Å; P527-T571 WeakPolarHBondContact CG-O 3.42Å
572H96.3Very high94.4Very high132 Ų13258.9 Ų58.961%0.61131%0.309SS*.SBendtrans-139.8153.7-176-52.490.7000111.9W565 S570W565-H572 VanDerWaalsContact CD1-O 3.26Å; S570-H572 PolarHBondContact OG-N 2.83Å; S570-H572 PolarHBondContact OG-O 3.13Å
573W98.3Very high93.9Very high17 Ų1759 Ų596%0.06431%0.311CS..  trans-82.2147.3171.5-69.174.7000110.8V513 P527 M529 I530 I545 V547 E563 R564 W565V513-W573 HydrophobicContact CG2-CZ2 3.98Å; P527-W573 PolarHBondContact O-NE1 3.28Å; M529-W573 HydrophobicContact CG-CD2 4.01Å; M529-W573 HydrophobicContact CG-CE3 4.32Å; M529-W573 HydrophobicContact CG-CH2 4.32Å; M529-W573 HydrophobicContact CG-CZ2 4Å; M529-W573 HydrophobicContact CG-CZ3 4.47Å; I530-W573 HydrophobicContact CD1-CB 4.45Å; I530-W573 HydrophobicContact CG1-CB 4.07Å; I545-W573 HydrophobicContact CB-CH2 4.38Å; I545-W573 HydrophobicContact CG2-CH2 3.97Å; I545-W573 HydrophobicContact CG2-CZ3 4.49Å; V547-W573 HydrophobicContact CB-CZ3 4.49Å; V547-W573 HydrophobicContact CG1-CH2 3.89Å; V547-W573 HydrophobicContact CG1-CZ3 3.85Å; V547-W573 HydrophobicContact CG2-CE3 4.35Å; V547-W573 HydrophobicContact CG2-CZ3 3.91Å; E563-W573 HydrophobicContact CB-CE3 4.44Å; E563-W573 HydrophobicContact CG-CE3 3.91Å; E563-W573 HydrophobicContact CG-CZ3 4.48Å; R564-W573 VanDerWaalsContact C-CE3 3.46Å; R564-W573 CarbonylContact O-C 3.58Å; R564-W573 WeakPolarHBondContact O-CA 3.4Å; W565-W573 HydrophobicContact CB-CD2 3.35Å; W565-W573 HydrophobicContact CB-CE3 3.46Å; W565-W573 VanDerWaalsContact CB-CE3 3.46Å; W565-W573 HydrophobicContact CB-CG 3.84Å; W565-W573 HydrophobicContact CB-CH2 3.96Å; W565-W573 HydrophobicContact CB-CZ2 3.86Å; W565-W573 HydrophobicContact CB-CZ3 3.76Å; W565-W573 HydrophobicContact CD2-CZ2 4.1Å; W565-W573 AromaticContact CE3-CE2 3.93Å; W565-W573 HydrophobicContact CE3-CH2 4.17Å; W565-W573 AromaticContact CE3-CZ2 3.52Å; W565-W573 HydrophobicContact CE3-CZ2 3.52Å; W565-W573 HydrophobicContact CG-CD2 4.13Å; W565-W573 AromaticContact CG-CE2 3.93Å; W565-W573 HydrophobicContact CG-CG 4.35Å; W565-W573 HydrophobicContact CG-CZ2 4.28Å; W565-W573 HydrophobicContact CZ3-CZ2 4.38Å
574E97Very high93.7Very high81 Ų8159 Ų5938%0.37931%0.311SS..EExtended strand (participates in β ladder)trans-117.1139.6179.8-64.7177.6179.700110.7E563 R564E563-E574 CarbonylContact C-O 3.51Å; E563-E574 WeakPolarHBondContact CA-O 3.44Å; E563-E574 WeakPolarHBondContact CB-O 3.15Å; R564-E574 HydrophobicContact CG-CB 4.25Å; R564-E574 IonicContact CZ-OE2 3.69Å; R564-E574 PolarHBondContact N-O 2.77Å; R564-E574 IonicContact NE-OE2 3.95Å; R564-E574 PolarHBondContact NE-OE2 3.09Å; R564-E574 IonicContact NH2-OE2 2.68Å; R564-E574 PolarHBondContact NH2-OE2 2.86Å; R564-E574 PolarHBondContact O-N 3.02Å
575P97.5Very high93.6Very high105 Ų10556 Ų5668%0.68230%0.301SS*.EExtended strand (participates in β ladder)trans-69.3149.2172.630.9-34.6000111.4I530I530-P575 HydrophobicContact CD1-CB 4.35Å
576V97.2Very high93.5Very high14 Ų1456.6 Ų56.69%0.08531%0.306CS..EExtended strand (participates in β ladder)trans-127.2160.9177.6175.30000108.4Y327 Y546 V562 R564 E578Y327-V576 HydrophobicContact CE1-CG1 4.31Å; Y327-V576 HydrophobicContact CE2-CG1 3.83Å; Y327-V576 WeakPolarHBondContact OH-CG1 3.34Å; Y546-V576 HydrophobicContact CD1-CG2 4.34Å; Y546-V576 HydrophobicContact CE1-CG1 4.11Å; Y546-V576 HydrophobicContact CE1-CG2 3.87Å; V562-V576 HydrophobicContact CB-CB 3.98Å; V562-V576 HydrophobicContact CB-CG1 4.3Å; V562-V576 HydrophobicContact CG1-CB 3.79Å; V562-V576 HydrophobicContact CG1-CG1 3.92Å; V562-V576 HydrophobicContact CG1-CG2 4.47Å; V562-V576 PolarHBondContact O-N 3.32Å; R564-V576 HydrophobicContact CB-CG2 3.93Å; R564-V576 HydrophobicContact CG-CG2 3.67Å; V576-E578 PolarHBondContact O-N 2.83Å; V576-E578 VanDerWaalsContact O-N 3.1Å
577R96.8Very high93.4Very high139 Ų13956.2 Ų56.253%0.52530%0.303SS..PPolyproline II helixtrans-47.7123.1173.2-174.375.4-78.6174.63.8111.3Y327 D332 W334Y327-R577 HydrophobicContact CE2-CB 4.45Å; D332-R577 VanDerWaalsContact O-CB 3.32Å; D332-R577 WeakPolarHBondContact O-CB 3.48Å; D332-R577 WeakPolarHBondContact O-CG 3.42Å; D332-R577 VanDerWaalsContact OD1-CB 3.26Å; D332-R577 WeakPolarHBondContact OD1-CB 3.48Å; D332-R577 PolarHBondContact OD1-N 3.16Å; W334-R577 PolarHBondContact NE1-O 2.91Å
578E95.8Very high93.5Very high90 Ų9056.2 Ų56.242%0.42130%0.303SS..PPolyproline II helixtrans-62.5153.8177.6-58.9-168.7-178.300113.6W334 S560 V576W334-E578 PolarHBondContact NE1-O 3.49Å; S560-E578 WeakPolarHBondContact O-CA 3.22Å; S560-E578 WeakPolarHBondContact O-CB 3.28Å; S560-E578 PolarHBondContact OG-OE2 3.49Å; V576-E578 PolarHBondContact O-N 2.83Å; V576-E578 VanDerWaalsContact O-N 3.1Å
579L93.2Very high93.7Very high8 Ų851.8 Ų51.84%0.04228%0.28CS..PPolyproline II helixtrans-59.1147.7169.4-66.2170.1000110.7V305 Q325 W334 I548 S560 V562 I581 A583V305-L579 HydrophobicContact CG2-CD2 4.37Å; Q325-L579 HydrophobicContact CB-CD2 4.37Å; W334-L579 HydrophobicContact CD2-CD2 3.86Å; W334-L579 HydrophobicContact CE3-CD2 3.82Å; W334-L579 HydrophobicContact CH2-CD2 3.56Å; W334-L579 HydrophobicContact CZ2-CD2 3.61Å; W334-L579 HydrophobicContact CZ2-CG 4.45Å; W334-L579 HydrophobicContact CZ3-CD2 3.66Å; I548-L579 HydrophobicContact CG2-CD1 3.71Å; I548-L579 HydrophobicContact CG2-CD2 3.84Å; I548-L579 HydrophobicContact CG2-CG 3.95Å; S560-L579 WeakPolarHBondContact CB-O 3.38Å; S560-L579 PolarHBondContact O-N 3.23Å; V562-L579 HydrophobicContact CG2-CG 4.11Å; L579-I581 WeakPolarHBondContact CB-O 3.24Å; L579-I581 PolarHBondContact O-N 3.44Å; L579-A583 HydrophobicContact CD1-CB 4.11Å
580H88.6Confident94Very high110 Ų11048 Ų4851%0.50925%0.253SS..SBendtrans-65.5-30174.3-73.5-61.9000112.7W334W334-H580 PolarHBondContact O-NE2 2.99Å
581I84.3Confident94.2Very high38 Ų3846.7 Ų46.720%0.19524%0.243CC..SBendtrans-129.2126.6179.6-53.6176.8000106.9E310 V323 Q325 L579 A583E310-I581 HydrophobicContact CG-CG2 3.94Å; V323-I581 HydrophobicContact CG1-CD1 4.47Å; V323-I581 HydrophobicContact CG2-CD1 4.15Å; Q325-I581 PolarHBondContact NE2-O 3.08Å; L579-I581 WeakPolarHBondContact CB-O 3.24Å; L579-I581 PolarHBondContact O-N 3.44Å; I581-A583 PolarHBondContact O-N 3.06Å
582P88Confident94.2Very high51 Ų5146.3 Ų46.333%0.33124%0.241SC..  trans-53.9137.1170.6-2433.7000110.9T558T558-P582 VanDerWaalsContact O-CB 3.31Å; T558-P582 WeakPolarHBondContact O-CB 3.31Å; T558-P582 WeakPolarHBondContact OG1-CB 3.26Å
583A88.1Confident93.9Very high6 Ų641.2 Ų41.25%0.0522%0.224CC..  trans-145.6135.9-174.700000110.6G549 G550 I559 L579 I581 S586G549-A583 CarbonylContact C-O 3.55Å; G549-A583 WeakPolarHBondContact CA-O 3.31Å; G550-A583 PolarHBondContact N-O 3.09Å; I559-A583 PolarHBondContact O-N 2.83Å; L579-A583 HydrophobicContact CD1-CB 4.11Å; I581-A583 PolarHBondContact O-N 3.06Å; A583-S586 WeakPolarHBondContact CB-OG 2.99Å
584S94Very high93.5Very high2 Ų240.8 Ų40.81%0.01422%0.223CC..BIsolated β-bridgetrans-125.7167.6163.573.70000108.9G308 W309 N535 T558 S586G308-S584 CarbonylContact C-O 3.52Å; G308-S584 WeakPolarHBondContact CA-O 3.32Å; W309-S584 PolarHBondContact N-O 2.83Å; N535-S584 CarbonylContact O-C 3.54Å; N535-S584 WeakPolarHBondContact O-CA 3.26Å; T558-S584 WeakPolarHBondContact CG2-OG 3.41Å; S584-S586 PolarHBondContact O-N 2.83Å
585A95.7Very high93.1Very high7 Ų742.5 Ų42.56%0.05824%0.235CC..SBendtrans57.617.8178.300000114A346 Y347 N535A346-A585 CarbonylContact C-O 3.55Å; A346-A585 HydrophobicContact CB-CB 4.15Å; Y347-A585 HydrophobicContact CD1-CB 3.31Å; Y347-A585 HydrophobicContact CD2-CB 3.86Å; Y347-A585 HydrophobicContact CE1-CB 3.27Å; Y347-A585 HydrophobicContact CE2-CB 3.83Å; Y347-A585 HydrophobicContact CG-CB 3.62Å; Y347-A585 PolarHBondContact N-O 2.99Å; N535-A585 PolarHBondContact O-N 3.23Å
586S95.2Very high92.8Very high16 Ų1638.5 Ų38.511%0.11221%0.207CC..  trans-76.1161.3169.9-55.20000109.2G307 G308 C537 A583 S584G307-S586 WeakPolarHBondContact O-CB 3.39Å; G307-S586 PolarHBondContact O-OG 2.77Å; G308-S586 VanDerWaalsContact CA-OG 3.28Å; G308-S586 WeakPolarHBondContact CA-OG 2.92Å; C537-S586 PolarHBondContact SG-O 3.3Å; A583-S586 WeakPolarHBondContact CB-OG 2.99Å; S584-S586 PolarHBondContact O-N 2.83Å
587C94.5Very high92.5Very high14 Ų1437.8 Ų37.810%0.09520%0.203CC..EExtended strand (participates in β ladder)trans-116.6151.4168.260.60000109.3I306 S348 C350I306-C587 PolarHBondContact N-O 3.31Å; I306-C587 PolarHBondContact O-N 2.99Å; I306-C587 PolarHBondContact O-SG 2.78Å; S348-C587 WeakPolarHBondContact O-CB 3.06Å; C350-C587 HydrophobicContact CB-CB 3.66Å; C350-C587 VanDerWaalsContact CB-SG 3.55Å; C350-C587 VanDerWaalsContact SG-CB 3.52Å
588C95.9Very high92Very high16 Ų1634.4 Ų34.411%0.10820%0.195CC..EExtended strand (participates in β ladder)trans-137.3155.3179.671.90000113.9I303 F304 V305 C350 C537 V538I303-C588 HydrophobicContact CG2-CB 4.38Å; F304-C588 CarbonylContact O-C 3.56Å; F304-C588 WeakPolarHBondContact O-CA 3.37Å; F304-C588 WeakPolarHBondContact O-CB 3.45Å; V305-C588 HydrophobicContact CG2-CB 4.25Å; C350-C588 VanDerWaalsContact SG-C 3.5Å; C350-C588 PolarHBondContact SG-N 2.85Å; C350-C588 VanDerWaalsContact SG-N 3.43Å; C350-C588 PolarHBondContact SG-O 3.05Å; C537-C588 HydrophobicContact CB-CB 3.77Å; C537-C588 WeakPolarHBondContact CB-SG 3.41Å; C537-C588 VanDerWaalsContact SG-CB 3.58Å; V538-C588 PolarHBondContact O-SG 3.13Å
589C96.1Very high91.4Very high9 Ų933.7 Ų33.76%0.06119%0.194CC..EExtended strand (participates in β ladder)trans-144.7148.3171.162.10000111F304 L352F304-C589 PolarHBondContact N-O 3.3Å; F304-C589 PolarHBondContact O-N 3.08Å; L352-C589 HydrophobicContact CB-CB 4.02Å
590T96.6Very high91Very high25 Ų2533.5 Ų33.515%0.15319%0.193CC..EExtended strand (participates in β ladder)trans-90.5119.8171-670000110T301 A302 L352 T539 T540T301-T590 HydrophobicContact CG2-CG2 3.08Å; A302-T590 WeakPolarHBondContact O-CA 3.38Å; L352-T590 WeakPolarHBondContact CD2-O 3.44Å; T539-T590 WeakPolarHBondContact CG2-OG1 3.4Å; T539-T590 PolarHBondContact OG1-OG1 2.72Å; T540-T590 WeakPolarHBondContact O-CB 3.35Å; T540-T590 WeakPolarHBondContact O-CG2 3.26Å; T540-T590 PolarHBondContact O-OG1 3.21Å
591V95.4Very high90.6Very high1 Ų130.4 Ų30.41%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-101.1128.4178.4176.30000109.4T301 A302 F304 L352 I357 L377 L596 L597T301-V591 CarbonylContact C-O 3.58Å; T301-V591 VanDerWaalsContact CA-O 3.27Å; T301-V591 WeakPolarHBondContact CA-O 3.46Å; A302-V591 PolarHBondContact N-O 3.17Å; A302-V591 PolarHBondContact O-N 3.01Å; F304-V591 HydrophobicContact CD2-CB 3.98Å; F304-V591 HydrophobicContact CD2-CG2 3.52Å; F304-V591 HydrophobicContact CE2-CB 3.76Å; F304-V591 HydrophobicContact CE2-CG1 4.39Å; F304-V591 HydrophobicContact CE2-CG2 3.65Å; F304-V591 HydrophobicContact CG-CG2 4.23Å; F304-V591 HydrophobicContact CZ-CG2 4.42Å; L352-V591 HydrophobicContact CD1-CG2 4.31Å; L352-V591 HydrophobicContact CD2-CG2 4.21Å; I357-V591 HydrophobicContact CD1-CG2 4.19Å; L377-V591 HydrophobicContact CD1-CB 4.47Å; L377-V591 HydrophobicContact CD1-CG1 3.63Å; L377-V591 HydrophobicContact CD1-CG2 3.93Å; V591-L596 HydrophobicContact CG1-CB 4.24Å; V591-L596 HydrophobicContact CG1-CD1 4.18Å; V591-L597 HydrophobicContact CB-CD2 3.96Å; V591-L597 HydrophobicContact CG1-CD2 3.7Å; V591-L597 HydrophobicContact CG1-CG 4.49Å
592T93.2Very high90.9Very high91 Ų9130.1 Ų30.156%0.55818%0.179SC*.EExtended strand (participates in β ladder)trans-112.2138.9176.7-58.70000111.1Y300 T301Y300-T592 CarbonylContact O-C 3.6Å; Y300-T592 WeakPolarHBondContact O-CA 3.49Å; T301-T592 PolarHBondContact OG1-OG1 2.68Å
593G91.5Very high91.1Very high25 Ų2528.9 Ų28.926%0.25817%0.171SC..  trans120.8111.7175.100000112Y300 N595 L596 L597Y300-G593 PolarHBondContact O-N 3.48Å; G593-N595 PolarHBondContact O-N 3.11Å; G593-N595 VanDerWaalsContact O-N 3.11Å; G593-L596 WeakPolarHBondContact O-CB 3.43Å; G593-L596 PolarHBondContact O-N 3.01Å; G593-L597 PolarHBondContact O-N 2.81Å
594I89.8Confident91.3Very high8 Ų830.2 Ų30.24%0.04118%0.178CC..Hα-helixtrans-53.3-38.3-176.1-171.357.4000113.8L196 F298 P299 Y300 L596 L597 L598 I601L196-I594 HydrophobicContact CD2-CD1 3.88Å; L196-I594 HydrophobicContact CD2-CG1 3.71Å; F298-I594 HydrophobicContact CB-CD1 3.69Å; F298-I594 HydrophobicContact CG-CD1 4.36Å; P299-I594 WeakPolarHBondContact O-CD1 3.09Å; Y300-I594 HydrophobicContact CD1-CB 3.81Å; Y300-I594 HydrophobicContact CD1-CG2 4.12Å; Y300-I594 HydrophobicContact CE1-CB 3.45Å; Y300-I594 VanDerWaalsContact CE1-CB 3.45Å; Y300-I594 HydrophobicContact CE1-CG1 4.36Å; Y300-I594 HydrophobicContact CE1-CG2 3.36Å; Y300-I594 HydrophobicContact CE2-CB 4.47Å; Y300-I594 HydrophobicContact CG-CB 4.44Å; I594-L596 PolarHBondContact O-N 2.81Å; I594-L597 PolarHBondContact O-N 2.99Å; I594-L598 HydrophobicContact CD1-CD2 4.02Å; I594-L598 HydrophobicContact CD1-CG 4.1Å; I594-L598 HydrophobicContact CG1-CD1 4.43Å; I594-L598 HydrophobicContact CG1-CD2 4.27Å; I594-L598 HydrophobicContact CG1-CG 4.07Å; I594-L598 WeakPolarHBondContact O-CG 3.25Å; I594-L598 PolarHBondContact O-N 3.16Å; I594-I601 HydrophobicContact CD1-CD1 4.13Å
595N88.4Confident91.1Very high118 Ų11831.9 Ų31.963%0.63119%0.188SC*.Hα-helixtrans-63.8-24179.9-65.4-33.4000113.2G593G593-N595 PolarHBondContact O-N 3.11Å; G593-N595 VanDerWaalsContact O-N 3.11Å
596L89.8Confident90.8Very high20 Ų2033.4 Ų33.411%0.10520%0.196CC..Hα-helixtrans-84.4-31.2173.9-55.2177.4000110.9T355 L377 R378 V591 G593 I594 F600T355-L596 HydrophobicContact CG2-CD1 3.92Å; T355-L596 HydrophobicContact CG2-CD2 4.02Å; L377-L596 HydrophobicContact CB-CB 4.36Å; L377-L596 HydrophobicContact CB-CD2 4.1Å; L377-L596 HydrophobicContact CD1-CD1 4.25Å; R378-L596 HydrophobicContact CG-CD2 3.67Å; V591-L596 HydrophobicContact CG1-CB 4.24Å; V591-L596 HydrophobicContact CG1-CD1 4.18Å; G593-L596 WeakPolarHBondContact O-CB 3.43Å; G593-L596 PolarHBondContact O-N 3.01Å; I594-L596 PolarHBondContact O-N 2.81Å; L596-F600 WeakPolarHBondContact O-CD2 3.38Å; L596-F600 WeakPolarHBondContact O-CE2 3.36Å
597L91.2Very high90.5Very high0 Ų034.6 Ų34.60%020%0.201CC..Hα-helixtrans-89-26.8-170.2-61.3179.9000114.4Y300 A302 F304 V591 G593 I594 N599 F600 I601Y300-L597 VanDerWaalsContact C-CD1 3.46Å; Y300-L597 WeakPolarHBondContact O-CD1 3.48Å; A302-L597 HydrophobicContact CB-CD1 3.92Å; A302-L597 HydrophobicContact CB-CD2 3.72Å; A302-L597 HydrophobicContact CB-CG 4.42Å; F304-L597 HydrophobicContact CE2-CD2 3.74Å; F304-L597 HydrophobicContact CZ-CD2 4.2Å; V591-L597 HydrophobicContact CB-CD2 3.96Å; V591-L597 HydrophobicContact CG1-CD2 3.7Å; V591-L597 HydrophobicContact CG1-CG 4.49Å; G593-L597 PolarHBondContact O-N 2.81Å; I594-L597 PolarHBondContact O-N 2.99Å; L597-N599 PolarHBondContact O-N 3.1Å; L597-F600 WeakPolarHBondContact O-CA 3.34Å; L597-F600 PolarHBondContact O-N 2.76Å; L597-I601 HydrophobicContact CB-CD1 3.85Å; L597-I601 WeakPolarHBondContact O-CG1 3.5Å; L597-I601 PolarHBondContact O-N 3.33Å
598L86.8Confident90.3Very high68 Ų6836.1 Ų36.136%0.35621%0.209SC..THydrogen-bonded Turntrans-51.9-31-174.1-80.1169.3000114.6L196 F298 I594 F600L196-L598 HydrophobicContact CD2-CD2 3.94Å; F298-L598 HydrophobicContact CD1-CD2 4.15Å; F298-L598 HydrophobicContact CE1-CD2 4.13Å; F298-L598 HydrophobicContact CZ-CD2 4.48Å; I594-L598 HydrophobicContact CD1-CD2 4.02Å; I594-L598 HydrophobicContact CD1-CG 4.1Å; I594-L598 HydrophobicContact CG1-CD1 4.43Å; I594-L598 HydrophobicContact CG1-CD2 4.27Å; I594-L598 HydrophobicContact CG1-CG 4.07Å; I594-L598 WeakPolarHBondContact O-CG 3.25Å; I594-L598 PolarHBondContact O-N 3.16Å; L598-F600 VanDerWaalsContact C-N 3.3Å
599N84.2Confident89.8Confident74 Ų7437.6 Ų37.640%0.39622%0.217SC..THydrogen-bonded Turntrans-76.8-18.2178.3-71.6-33.6000113.3R335 K338 L380 L597R335-N599 PolarHBondContact NH1-O 3.36Å; K338-N599 WeakPolarHBondContact CD-O 3.28Å; K338-N599 PolarHBondContact NZ-O 2.9Å; L380-N599 HydrophobicContact CD1-CB 4.31Å; L597-N599 PolarHBondContact O-N 3.1Å
600F84Confident89.3Confident4 Ų440 Ų402%0.01823%0.23CC..THydrogen-bonded Turntrans-110.3-18.8-169.1-56.9-70.2000114.7F304 V326 R335 L339 F375 L377 L380 L596 L597 L598F304-F600 HydrophobicContact CE1-CD1 4.2Å; F304-F600 HydrophobicContact CE1-CD2 4.2Å; F304-F600 HydrophobicContact CE1-CE1 4.35Å; F304-F600 HydrophobicContact CE1-CE2 4.33Å; F304-F600 HydrophobicContact CE1-CG 4.1Å; F304-F600 HydrophobicContact CE1-CZ 4.36Å; F304-F600 HydrophobicContact CZ-CB 4.16Å; F304-F600 HydrophobicContact CZ-CD1 4.39Å; F304-F600 AromaticContact CZ-CD2 3.69Å; F304-F600 HydrophobicContact CZ-CD2 3.69Å; F304-F600 HydrophobicContact CZ-CE2 4.08Å; F304-F600 AromaticContact CZ-CG 3.83Å; F304-F600 HydrophobicContact CZ-CG 3.83Å; V326-F600 HydrophobicContact CB-CB 4.46Å; V326-F600 HydrophobicContact CG1-CB 4.15Å; V326-F600 HydrophobicContact CG2-CB 4.2Å; R335-F600 WeakPolarHBondContact CD-O 3.38Å; R335-F600 VanDerWaalsContact NH1-C 3.29Å; R335-F600 PolarHBondContact NH1-O 3.38Å; L339-F600 HydrophobicContact CB-CD1 4.47Å; L339-F600 HydrophobicContact CB-CE1 4.14Å; L339-F600 HydrophobicContact CD1-CE1 4.26Å; L339-F600 HydrophobicContact CD2-CD1 4.48Å; L339-F600 HydrophobicContact CD2-CE1 3.77Å; L339-F600 HydrophobicContact CD2-CZ 4.38Å; L339-F600 HydrophobicContact CG-CE1 4.26Å; F375-F600 HydrophobicContact CE1-CE1 4.34Å; F375-F600 AromaticContact CE1-CZ 3.83Å; F375-F600 HydrophobicContact CE1-CZ 3.83Å; F375-F600 HydrophobicContact CZ-CE1 4.4Å; F375-F600 HydrophobicContact CZ-CZ 4.04Å; L377-F600 HydrophobicContact CD2-CE2 3.76Å; L377-F600 HydrophobicContact CD2-CZ 3.98Å; L380-F600 HydrophobicContact CD2-CE1 3.79Å; L380-F600 HydrophobicContact CD2-CE2 3.85Å; L380-F600 HydrophobicContact CD2-CZ 3.13Å; L596-F600 WeakPolarHBondContact O-CD2 3.38Å; L596-F600 WeakPolarHBondContact O-CE2 3.36Å; L597-F600 WeakPolarHBondContact O-CA 3.34Å; L597-F600 PolarHBondContact O-N 2.76Å; L598-F600 VanDerWaalsContact C-N 3.3Å
601I80.7Confident88.6Confident46 Ų4641.4 Ų41.424%0.23624%0.237CC..  trans-99.20-178.758.5-164.4000114F298 P299 N328 R335 I594 L597F298-I601 HydrophobicContact CB-CD1 4.36Å; F298-I601 HydrophobicContact CD1-CD1 3.56Å; F298-I601 HydrophobicContact CD1-CG1 3.8Å; F298-I601 HydrophobicContact CE1-CD1 4.37Å; F298-I601 HydrophobicContact CE1-CG1 4.16Å; F298-I601 HydrophobicContact CG-CD1 4.43Å; P299-I601 HydrophobicContact CG-CB 4.4Å; P299-I601 HydrophobicContact CG-CD1 3.8Å; P299-I601 HydrophobicContact CG-CG2 3.9Å; N328-I601 HydrophobicContact CB-CG2 4.37Å; R335-I601 PolarHBondContact NH1-O 3.33Å; I594-I601 HydrophobicContact CD1-CD1 4.13Å; L597-I601 HydrophobicContact CB-CD1 3.85Å; L597-I601 WeakPolarHBondContact O-CG1 3.5Å; L597-I601 PolarHBondContact O-N 3.33Å

Retrieved 601 of 601 residues in 448 ms (Link to these results)

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