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GTP-binding nuclear protein Ran

GTPase involved in nucleocytoplasmic transport, participating both to the import and the export from the nucleus of proteins and RNAs. Switches between a cytoplasmic GDP- and a nuclear GTP-bound state by nucleotide exchange and GTP hydrolysis. Nuclear import receptors such as importin beta bind their substrates only in the absence of GTP-bound RAN and release them upon direct interaction with GTP-bound RAN, while export receptors behave in the opposite way. Thereby, RAN controls cargo loading and release by transport receptors in the proper compartment and ensures the directionality of the transport. Interaction with RANBP1 induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins. RAN (GTP-bound form) triggers microtubule assembly at mitotic chromosomes and is required for normal mitotic spindle assembly and chromosome segregation. Required for normal progress through mitosis. The complex with BIRC5/survivin plays a role in mitotic spindle formation by serving as a physical scaffold to help deliver the RAN effector molecule TPX2 to microtubules. Acts as a negative regulator of the kinase activity of VRK1 and VRK2. Enhances AR-mediated transactivation.

AlphaFold DB , UniProt , Accession Q3T054, Species BOVIN (Bos taurus, Bovine), Gene RAN, Length 216 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
1M37.1Very low62.6Low241 Ų241113.9 Ų113.9100%1.18764%0.643SS**  0115.10-71.3178171.600106.6A3M1-A3 PolarHBondContact O-N 2.91Å; M1-A3 VanDerWaalsContact O-N 3.16Å
2A35Very low65.6Low101 Ų101107.1 Ų107.184%0.83560%0.601SS**  trans-58.9120.5-177.900000108.7Q4A2-Q4 PolarHBondContact O-N 3.21Å
3A41.2Very low68.1Low93 Ų9398.9 Ų98.977%0.76956%0.556SS**  trans-55.2114.5164.800000106M1 G5M1-A3 PolarHBondContact O-N 2.91Å; M1-A3 VanDerWaalsContact O-N 3.16Å; A3-G5 PolarHBondContact O-N 2.83Å
4Q43.5Very low70.2Confident192 Ų19291.9 Ų91.990%0.89752%0.516SS*.  trans-62.690.8165.2-69.7178.3-2.400105.1A2 E6A2-Q4 PolarHBondContact O-N 3.21Å; Q4-E6 PolarHBondContact O-N 3.27Å
5G51Low72.1Confident63 Ų6385.8 Ų85.865%0.64948%0.482SS*.  trans-54128.3-179.600000108A3A3-G5 PolarHBondContact O-N 2.83Å
6E56.7Low73.6Confident163 Ų16380.4 Ų80.476%0.76245%0.452SS*.  trans-51.4137.4176.3-75.4-173.6128.500109.2Q4 Q8Q4-E6 PolarHBondContact O-N 3.27Å; E6-Q8 PolarHBondContact O-N 3.28Å
7P61Low75Confident21 Ų2175.7 Ų75.714%0.13643%0.425CS..  trans-56.9115.1173.819.9-28.5000108.4V9 P58 K60P7-V9 PolarHBondContact O-N 3.46Å; P7-P58 HydrophobicContact CB-CB 4.12Å; P7-P58 HydrophobicContact CB-CG 4.08Å; P7-K60 HydrophobicContact CB-CB 4.27Å; P7-K60 HydrophobicContact CG-CB 3.75Å; P7-K60 HydrophobicContact CG-CD 4.15Å; P7-K60 VanDerWaalsContact CG-CE 3.42Å; P7-K60 HydrophobicContact CG-CG 4.48Å
8Q75.1Confident76.2Confident197 Ų19772.8 Ų72.892%0.92141%0.408SS*.SBendtrans-60.6-26.7-178.2-89.5-177.3-9.600112.1E6E6-Q8 PolarHBondContact O-N 3.28Å
9V93.9Very high77.2Confident56 Ų5670.3 Ų70.334%0.33940%0.4SS..EExtended strand (participates in β ladder)trans-103.3112.1-179.4-174.20000109.9P7 F11 I59 K60 I169P7-V9 PolarHBondContact O-N 3.46Å; V9-F11 HydrophobicContact CG1-CD2 4.29Å; V9-F11 HydrophobicContact CG1-CE2 3.41Å; V9-F11 VanDerWaalsContact CG1-CE2 3.41Å; V9-F11 HydrophobicContact CG1-CZ 3.53Å; V9-I59 HydrophobicContact CG1-CG1 4.45Å; V9-K60 PolarHBondContact O-N 3Å; V9-I169 HydrophobicContact CG1-CD1 3.86Å
10Q96.5Very high78Confident106 Ų10668 Ų6850%0.49539%0.393SS..EExtended strand (participates in β ladder)trans-132.9144.2176.363.3179.95.200112K60Q10-K60 CarbonylContact C-O 3.5Å; Q10-K60 WeakPolarHBondContact CA-O 3.45Å; Q10-K60 HydrophobicContact CB-CB 4.08Å
11F98Very high78.9Confident20 Ų2064.7 Ų64.79%0.08837%0.374CS..EExtended strand (participates in β ladder)trans-127.9136.9-180-60-71.9000111.2V9 L13 I59 K60 F61 N62 Q84 L168 I169V9-F11 HydrophobicContact CG1-CD2 4.29Å; V9-F11 HydrophobicContact CG1-CE2 3.41Å; V9-F11 VanDerWaalsContact CG1-CE2 3.41Å; V9-F11 HydrophobicContact CG1-CZ 3.53Å; F11-L13 PolarHBondContact O-N 2.75Å; F11-I59 HydrophobicContact CD2-CG2 3.84Å; F11-I59 HydrophobicContact CE2-CG2 3.88Å; F11-K60 PolarHBondContact N-O 3.19Å; F11-F61 HydrophobicContact CB-CD1 3.84Å; F11-F61 HydrophobicContact CB-CE1 3.93Å; F11-F61 HydrophobicContact CD2-CE1 4.03Å; F11-F61 HydrophobicContact CD2-CZ 4.4Å; F11-F61 HydrophobicContact CG-CE1 4.33Å; F11-F61 WeakPolarHBondContact O-CA 3.38Å; F11-N62 PolarHBondContact O-N 3.01Å; F11-Q84 VanDerWaalsContact CA-OE1 3.26Å; F11-Q84 HydrophobicContact CD1-CB 4.28Å; F11-L168 HydrophobicContact CB-CD1 4.1Å; F11-L168 HydrophobicContact CD1-CB 4.28Å; F11-L168 HydrophobicContact CD1-CD1 3.9Å; F11-L168 HydrophobicContact CD1-CD2 4.18Å; F11-L168 HydrophobicContact CD1-CG 4.35Å; F11-L168 HydrophobicContact CD2-CB 4.48Å; F11-L168 HydrophobicContact CD2-CD1 3.85Å; F11-L168 HydrophobicContact CE1-CB 3.83Å; F11-L168 HydrophobicContact CE1-CD1 4.29Å; F11-L168 HydrophobicContact CE1-CD2 4.29Å; F11-L168 HydrophobicContact CE1-CG 4.37Å; F11-L168 HydrophobicContact CE2-CB 4.02Å; F11-L168 HydrophobicContact CE2-CD1 4.22Å; F11-L168 HydrophobicContact CG-CD1 3.68Å; F11-L168 HydrophobicContact CZ-CB 3.69Å; F11-L168 HydrophobicContact CZ-CD1 4.45Å; F11-I169 HydrophobicContact CE2-CD1 3.98Å; F11-I169 HydrophobicContact CZ-CD1 3.8Å
12K98Very high81.7Confident32 Ų3253.8 Ų53.814%0.13932%0.323CS..EExtended strand (participates in β ladder)trans-76.8116165.1179.4170.6172.5174.80109.1W64 Y79 I81 A83 Q84 C85K12-W64 HydrophobicContact CD-CZ2 4.28Å; K12-Y79 VanDerWaalsContact CE-O 3.27Å; K12-Y79 WeakPolarHBondContact CE-O 3.38Å; K12-Y79 PolarHBondContact NZ-O 2.79Å; K12-I81 PolarHBondContact NZ-O 3.05Å; K12-A83 HydrophobicContact CG-CB 4.46Å; K12-Q84 PolarHBondContact O-N 2.96Å; K12-C85 PolarHBondContact O-N 2.85Å
13L98.5Very high84.7Confident1 Ų149.4 Ų49.41%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-110.9126.8174.6-174.2155000108.9F11 L15 F61 N62 V63 W64 C85 I87 F161 L164F11-L13 PolarHBondContact O-N 2.75Å; L13-L15 HydrophobicContact CD2-CB 4.24Å; L13-F61 HydrophobicContact CB-CB 4.45Å; L13-F61 HydrophobicContact CB-CD1 4.04Å; L13-F61 HydrophobicContact CD1-CD1 3.82Å; L13-F61 HydrophobicContact CD1-CE1 4.27Å; L13-F61 HydrophobicContact CD1-CG 4.24Å; L13-N62 PolarHBondContact N-O 3.3Å; L13-V63 HydrophobicContact CB-CG2 4.42Å; L13-V63 HydrophobicContact CD2-CB 4.47Å; L13-V63 HydrophobicContact CD2-CG1 3.89Å; L13-V63 HydrophobicContact CD2-CG2 4.23Å; L13-V63 CarbonylContact O-C 3.58Å; L13-V63 WeakPolarHBondContact O-CA 3.4Å; L13-W64 PolarHBondContact O-N 3.39Å; L13-C85 WeakPolarHBondContact CA-O 3.26Å; L13-I87 HydrophobicContact CD1-CD1 3.99Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.49Å; L13-I87 HydrophobicContact CD2-CD1 4.17Å; L13-I87 HydrophobicContact CD2-CG1 4.17Å; L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.89Å; L13-L164 HydrophobicContact CD1-CD1 3.53Å; L13-L164 HydrophobicContact CG-CD1 4.44Å
14V97.6Very high87.2Confident0 Ų046.6 Ų46.60%026%0.259CS..EExtended strand (participates in β ladder)trans-100.8128.2172.5-67.10000110.6W64 Y80 A83 C85 A86 I87 L108V14-W64 HydrophobicContact CG1-CB 4.11Å; V14-W64 HydrophobicContact CG1-CG 4.47Å; V14-Y80 HydrophobicContact CB-CD1 4.42Å; V14-Y80 HydrophobicContact CG1-CD1 4.36Å; V14-A83 HydrophobicContact CB-CB 4.45Å; V14-A83 HydrophobicContact CG1-CB 3.78Å; V14-A83 HydrophobicContact CG2-CB 3.83Å; V14-C85 PolarHBondContact N-O 3.24Å; V14-C85 VanDerWaalsContact N-O 3.09Å; V14-A86 HydrophobicContact CG2-CB 3.57Å; V14-A86 CarbonylContact O-C 3.58Å; V14-A86 VanDerWaalsContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CA 3.32Å; V14-I87 PolarHBondContact O-N 2.84Å; V14-L108 HydrophobicContact CG2-CD2 3.49Å; V14-L108 VanDerWaalsContact CG2-CD2 3.49Å
15L97.8Very high89.7Confident1 Ų138.7 Ų38.71%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-108.8113.9179.3176.661.2000108.9L13 K23 V27 V63 W64 T66 I87 M89L13-L15 HydrophobicContact CD2-CB 4.24Å; L15-K23 HydrophobicContact CD1-CB 4.45Å; L15-K23 HydrophobicContact CD1-CD 4.43Å; L15-K23 HydrophobicContact CD1-CG 4.14Å; L15-K23 HydrophobicContact CD2-CB 3.65Å; L15-K23 HydrophobicContact CD2-CG 4.23Å; L15-K23 HydrophobicContact CG-CB 3.86Å; L15-K23 HydrophobicContact CG-CD 4.01Å; L15-K23 HydrophobicContact CG-CG 3.91Å; L15-V27 HydrophobicContact CD2-CG2 3.39Å; L15-V63 HydrophobicContact CB-CG1 4.09Å; L15-V63 HydrophobicContact CD2-CG1 4.34Å; L15-W64 PolarHBondContact N-O 3.38Å; L15-T66 PolarHBondContact O-N 3.2Å; L15-T66 PolarHBondContact O-OG1 2.86Å; L15-I87 WeakPolarHBondContact CA-O 3.49Å; L15-I87 HydrophobicContact CD1-CB 3.72Å; L15-I87 HydrophobicContact CD1-CG2 3.58Å; L15-M89 HydrophobicContact CD1-CB 4.45Å; L15-M89 HydrophobicContact CD1-CE 4.34Å
16V96.7Very high91.8Very high0 Ų035.8 Ų35.80%019%0.193CC..EExtended strand (participates in β ladder)trans-128.8167.3-172.4-55.10000111.8K23 T66 Y80 I87 I88 M89 W104 L108V16-K23 VanDerWaalsContact C-CD 3.46Å; V16-K23 WeakPolarHBondContact O-CD 3.44Å; V16-T66 HydrophobicContact CG1-CG2 4.47Å; V16-Y80 HydrophobicContact CG1-CD1 4.47Å; V16-Y80 HydrophobicContact CG1-CE1 3.63Å; V16-I87 PolarHBondContact N-O 3.5Å; V16-I88 HydrophobicContact CG2-CB 4.24Å; V16-I88 HydrophobicContact CG2-CG1 3.73Å; V16-I88 HydrophobicContact CG2-CG2 4.33Å; V16-M89 PolarHBondContact O-N 3.48Å; V16-W104 HydrophobicContact CB-CD2 4.43Å; V16-W104 HydrophobicContact CB-CE3 3.83Å; V16-W104 HydrophobicContact CB-CZ3 4.29Å; V16-W104 HydrophobicContact CG2-CB 4.21Å; V16-W104 HydrophobicContact CG2-CE3 4.33Å; V16-L108 HydrophobicContact CG1-CD2 4.48Å; V16-L108 HydrophobicContact CG2-CD1 3.62Å; V16-L108 HydrophobicContact CG2-CG 4.31Å
17G96.9Very high93.7Very high0 Ų028 Ų280%016%0.157CC..  trans133.6169.2-177.900000111.9K23 G68 M89 W104G17-K23 WeakPolarHBondContact O-CE 3.37Å; G17-K23 PolarHBondContact O-NZ 3.37Å; G17-G68 WeakPolarHBondContact O-CA 3.41Å; G17-M89 WeakPolarHBondContact CA-O 3.43Å; G17-W104 VanDerWaalsContact C-CE2 3.43Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.26Å
18D96.4Very high95.2Very high23 Ų2330.6 Ų30.612%0.12317%0.166CC..  trans-57.1159.4-174.5-78.220.8000113.9T21 K23 G68 T97 N100 W104D18-T21 HydrophobicContact CB-CG2 3.79Å; D18-T21 WeakPolarHBondContact O-CG2 3.44Å; D18-T21 PolarHBondContact O-OG1 3.22Å; D18-K23 PolarHBondContact O-NZ 3.39Å; D18-G68 CarbonylContact C-O 3.57Å; D18-T97 HydrophobicContact CB-CG2 3.83Å; D18-T97 WeakPolarHBondContact OD2-CA 3.35Å; D18-N100 WeakPolarHBondContact OD1-CB 3.16Å; D18-N100 PolarHBondContact OD2-ND2 3.14Å; D18-W104 PolarHBondContact OD1-NE1 3Å
19G94.8Very high96Very high25 Ų2521.3 Ų21.326%0.25812%0.122SC..THydrogen-bonded Turntrans-58137.2170.700000111.5T21 G68G19-T21 VanDerWaalsContact C-N 3.3Å; G19-T21 PolarHBondContact O-N 3.18Å; G19-G68 VanDerWaalsContact N-C 3.33Å; G19-G68 PolarHBondContact N-O 2.85Å
20G94.4Very high96Very high24 Ų2419.3 Ų19.325%0.24711%0.109CC..THydrogen-bonded Turntrans78.73175.600000115.8G22 Y39 K123G20-G22 PolarHBondContact O-N 2.94Å; G20-Y39 PolarHBondContact N-OH 2.93Å; G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 3.04Å
21T97Very high95.7Very high0 Ų017.9 Ų17.90%011%0.105CC..SBendtrans-69.6-18.1176.557.70000113.6D18 G19 D91 T97 N122D18-T21 HydrophobicContact CB-CG2 3.79Å; D18-T21 WeakPolarHBondContact O-CG2 3.44Å; D18-T21 PolarHBondContact O-OG1 3.22Å; G19-T21 VanDerWaalsContact C-N 3.3Å; G19-T21 PolarHBondContact O-N 3.18Å; T21-D91 HydrophobicContact CG2-CB 4.34Å; T21-T97 HydrophobicContact CG2-CG2 3.93Å; T21-N122 PolarHBondContact O-ND2 2.82Å
22G96.1Very high95.3Very high12 Ų1220.5 Ų20.512%0.12412%0.123CC..SBendtrans107.115.9175.400000115.4G20 T25 F26G20-G22 PolarHBondContact O-N 2.94Å; G22-T25 PolarHBondContact O-N 2.96Å; G22-F26 VanDerWaalsContact O-CB 3.31Å; G22-F26 WeakPolarHBondContact O-CB 3.16Å; G22-F26 PolarHBondContact O-N 3.43Å
23K96.8Very high94.7Very high9 Ų919 Ų194%0.03912%0.116CC..Hα-helixtrans-51.1-57.6178.5-62.5-174.6-54.1-73.10113.1L15 V16 G17 D18 T25 F26 V27 D65 T66 M89L15-K23 HydrophobicContact CD1-CB 4.45Å; L15-K23 HydrophobicContact CD1-CD 4.43Å; L15-K23 HydrophobicContact CD1-CG 4.14Å; L15-K23 HydrophobicContact CD2-CB 3.65Å; L15-K23 HydrophobicContact CD2-CG 4.23Å; L15-K23 HydrophobicContact CG-CB 3.86Å; L15-K23 HydrophobicContact CG-CD 4.01Å; L15-K23 HydrophobicContact CG-CG 3.91Å; V16-K23 VanDerWaalsContact C-CD 3.46Å; V16-K23 WeakPolarHBondContact O-CD 3.44Å; G17-K23 WeakPolarHBondContact O-CE 3.37Å; G17-K23 PolarHBondContact O-NZ 3.37Å; D18-K23 PolarHBondContact O-NZ 3.39Å; K23-T25 PolarHBondContact O-N 3.01Å; K23-F26 WeakPolarHBondContact O-CB 3.3Å; K23-F26 PolarHBondContact O-N 3.03Å; K23-F26 VanDerWaalsContact O-N 3.16Å; K23-V27 PolarHBondContact O-N 2.65Å; K23-D65 VanDerWaalsContact CB-OD1 3.29Å; K23-D65 WeakPolarHBondContact CB-OD1 3.29Å; K23-T66 WeakPolarHBondContact CE-O 3.17Å; K23-M89 HydrophobicContact CG-CB 4.1Å; K23-M89 HydrophobicContact CG-SD 4.21Å
24T95.2Very high94.1Very high33 Ų3325.4 Ų25.420%0.20215%0.146CC..Hα-helixtrans-61.5-43.3179.6-46.80000112.1F26 V27 K28 T42 D65T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.19Å; T24-V27 PolarHBondContact O-N 3.06Å; T24-K28 HydrophobicContact CG2-CG 4.18Å; T24-K28 WeakPolarHBondContact O-CB 3.46Å; T24-K28 VanDerWaalsContact O-CG 3.3Å; T24-K28 WeakPolarHBondContact O-CG 3.36Å; T24-K28 PolarHBondContact O-N 2.88Å; T24-T42 PolarHBondContact OG1-OG1 3.37Å; T24-D65 VanDerWaalsContact CA-OD2 3.23Å; T24-D65 WeakPolarHBondContact CA-OD2 3.27Å; T24-D65 VanDerWaalsContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CB-OD2 3.28Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.4Å; T24-D65 PolarHBondContact OG1-OD2 3.37Å
25T95.3Very high93.5Very high27 Ų2727.7 Ų27.717%0.16616%0.156CC..Hα-helixtrans-61-40.7175.9-50.50000111.7G22 K23 R29 F35 E36 A151G22-T25 PolarHBondContact O-N 2.96Å; K23-T25 PolarHBondContact O-N 3.01Å; T25-R29 WeakPolarHBondContact O-CB 3.29Å; T25-R29 PolarHBondContact O-N 2.97Å; T25-F35 HydrophobicContact CG2-CD2 3.58Å; T25-F35 HydrophobicContact CG2-CE2 3.48Å; T25-F35 VanDerWaalsContact CG2-CE2 3.48Å; T25-F35 HydrophobicContact CG2-CG 4.46Å; T25-F35 HydrophobicContact CG2-CZ 4.27Å; T25-E36 HydrophobicContact CG2-CB 4.41Å; T25-A151 HydrophobicContact CG2-CB 4.37Å
26F95.8Very high92.9Very high1 Ų132.2 Ų32.20%0.00418%0.177CC..Hα-helixtrans-63.2-42.8177.3176.3-99.6000111.9G22 K23 T24 H30 I87 M89 I149 A151 F157 P160 F161G22-F26 VanDerWaalsContact O-CB 3.31Å; G22-F26 WeakPolarHBondContact O-CB 3.16Å; G22-F26 PolarHBondContact O-N 3.43Å; K23-F26 WeakPolarHBondContact O-CB 3.3Å; K23-F26 PolarHBondContact O-N 3.03Å; K23-F26 VanDerWaalsContact O-N 3.16Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.19Å; F26-H30 AromaticContact CE2-CE1 3.5Å; F26-H30 AromaticContact CZ-CE1 3.5Å; F26-H30 VanDerWaalsContact CZ-CE1 3.5Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.37Å; F26-H30 PolarHBondContact O-N 3.08Å; F26-H30 PolarHBondContact O-ND1 3.36Å; F26-I87 HydrophobicContact CE1-CD1 4.32Å; F26-M89 HydrophobicContact CB-CE 3.8Å; F26-M89 HydrophobicContact CD1-CE 3.96Å; F26-M89 HydrophobicContact CD2-CE 4.14Å; F26-M89 HydrophobicContact CG-CE 3.71Å; F26-I149 HydrophobicContact CD2-CD1 3.81Å; F26-I149 HydrophobicContact CE2-CD1 3.74Å; F26-A151 HydrophobicContact CB-CB 4.42Å; F26-F157 AromaticContact CD2-CD2 3.78Å; F26-F157 HydrophobicContact CD2-CD2 3.78Å; F26-F157 AromaticContact CD2-CE2 3.37Å; F26-F157 HydrophobicContact CD2-CE2 3.37Å; F26-F157 HydrophobicContact CD2-CZ 4.21Å; F26-F157 AromaticContact CE2-CD2 3.71Å; F26-F157 HydrophobicContact CE2-CD2 3.71Å; F26-F157 AromaticContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CG 4.47Å; F26-F157 WeakPolarHBondContact CE2-O 3.34Å; F26-F157 HydrophobicContact CG-CE2 4.26Å; F26-F157 WeakPolarHBondContact O-CZ 3.43Å; F26-P160 HydrophobicContact CZ-CG 4.43Å; F26-F161 HydrophobicContact CE1-CD2 4.47Å; F26-F161 AromaticContact CE1-CE2 3.38Å; F26-F161 HydrophobicContact CE1-CE2 3.38Å; F26-F161 AromaticContact CE1-CZ 3.58Å; F26-F161 HydrophobicContact CE1-CZ 3.58Å; F26-F161 HydrophobicContact CZ-CD2 4.17Å; F26-F161 AromaticContact CZ-CE2 3.39Å; F26-F161 HydrophobicContact CZ-CE2 3.39Å; F26-F161 HydrophobicContact CZ-CZ 4.09Å
27V95.1Very high92.4Very high1 Ų139.3 Ų39.31%0.00621%0.208CC..Hα-helixtrans-70-51.1177.2176.30000111.6L15 K23 T24 R29 H30 L31 H48 V63 D65L15-V27 HydrophobicContact CD2-CG2 3.39Å; K23-V27 PolarHBondContact O-N 2.65Å; T24-V27 PolarHBondContact O-N 3.06Å; V27-R29 PolarHBondContact O-N 3.06Å; V27-H30 PolarHBondContact O-N 3.07Å; V27-H30 VanDerWaalsContact O-N 3.07Å; V27-L31 PolarHBondContact O-N 2.95Å; V27-H48 HydrophobicContact CG1-CB 3.48Å; V27-H48 VanDerWaalsContact CG1-CB 3.48Å; V27-V63 HydrophobicContact CG2-CG1 3.68Å; V27-D65 HydrophobicContact CG2-CB 4.47Å
28K92.8Very high91.9Very high74 Ų7447 Ų4732%0.32224%0.241SC..Hα-helixtrans-56.4-41.3179-74-71.3-177.3-179.90111.2T24 H30 L31 T32T24-K28 HydrophobicContact CG2-CG 4.18Å; T24-K28 WeakPolarHBondContact O-CB 3.46Å; T24-K28 VanDerWaalsContact O-CG 3.3Å; T24-K28 WeakPolarHBondContact O-CG 3.36Å; T24-K28 PolarHBondContact O-N 2.88Å; K28-H30 PolarHBondContact O-N 2.9Å; K28-L31 PolarHBondContact O-N 3.25Å; K28-T32 PolarHBondContact O-N 3.05Å; K28-T32 PolarHBondContact O-OG1 2.67Å; K28-T32 VanDerWaalsContact O-OG1 3.09Å
29R92.5Very high91.5Very high2 Ų252 Ų521%0.00826%0.26CS..Hα-helixtrans-68.3-32179.1-173.2165.6-161.51605.4113.3T25 V27 L31 G33 E34 A151 K152 N154 F157 L182 P184T25-R29 WeakPolarHBondContact O-CB 3.29Å; T25-R29 PolarHBondContact O-N 2.97Å; V27-R29 PolarHBondContact O-N 3.06Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-G33 WeakPolarHBondContact O-CA 3.46Å; R29-G33 PolarHBondContact O-N 3.34Å; R29-E34 WeakPolarHBondContact CA-O 3.36Å; R29-E34 WeakPolarHBondContact CB-O 3.46Å; R29-A151 WeakPolarHBondContact CD-O 3.44Å; R29-A151 PolarHBondContact NH1-O 2.76Å; R29-K152 VanDerWaalsContact NH1-C 3.3Å; R29-K152 PolarHBondContact NH1-O 2.99Å; R29-N154 VanDerWaalsContact CZ-OD1 3.24Å; R29-N154 PolarHBondContact NE-OD1 3.37Å; R29-F157 HydrophobicContact CB-CE1 4.38Å; R29-F157 HydrophobicContact CB-CE2 4.48Å; R29-F157 HydrophobicContact CB-CZ 3.66Å; R29-F157 HydrophobicContact CG-CE1 4.06Å; R29-F157 HydrophobicContact CG-CZ 3.69Å; R29-L182 WeakPolarHBondContact O-CD2 3.1Å; R29-P184 PolarHBondContact NH2-O 3.43Å
30H93.1Very high91.1Very high14 Ų1456.1 Ų56.17%0.06528%0.279CS..Hα-helixtrans-68.9-31.1168.1-7988.2000112.9F26 V27 K28 L50 F52 F157 F161F26-H30 AromaticContact CE2-CE1 3.5Å; F26-H30 AromaticContact CZ-CE1 3.5Å; F26-H30 VanDerWaalsContact CZ-CE1 3.5Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.37Å; F26-H30 PolarHBondContact O-N 3.08Å; F26-H30 PolarHBondContact O-ND1 3.36Å; V27-H30 PolarHBondContact O-N 3.07Å; V27-H30 VanDerWaalsContact O-N 3.07Å; K28-H30 PolarHBondContact O-N 2.9Å; H30-L50 HydrophobicContact CB-CD1 3.69Å; H30-L50 HydrophobicContact CB-CD2 3.84Å; H30-L50 HydrophobicContact CB-CG 4.43Å; H30-F52 AromaticContact CD2-CZ 3.83Å; H30-F157 HydrophobicContact CB-CE1 4.42Å; H30-F157 AromaticContact CD2-CD1 3.97Å; H30-F157 AromaticContact CD2-CE1 3.67Å; H30-F157 AromaticContact CE1-CD1 3.2Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.48Å; H30-F157 AromaticContact CE1-CD2 3.75Å; H30-F157 AromaticContact CE1-CE1 3Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.3Å; H30-F157 AromaticContact CE1-CE2 3.54Å; H30-F157 AromaticContact CE1-CG 3.57Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.33Å; H30-F157 PolarHBondContact CE1-O 3.5Å; H30-F157 AromaticContact CG-CE1 3.53Å; H30-F157 AromaticContact CG-CZ 3.86Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.13Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.33Å; H30-F157 AromaticContact ND1-CE2 3.78Å; H30-F157 AromaticContact ND1-CZ 3.05Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.43Å; H30-F157 AromaticContact NE2-CD1 3.3Å; H30-F157 VanDerWaalsContact NE2-CD1 3.3Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.48Å; H30-F157 AromaticContact NE2-CE1 3.38Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.33Å; H30-F157 AromaticContact NE2-CG 3.91Å; H30-F157 AromaticContact NE2-CZ 4Å; H30-F157 PolarHBondContact NE2-O 3.37Å; H30-F161 AromaticContact CD2-CE2 3.89Å; H30-F161 AromaticContact CE1-CE2 3.45Å; H30-F161 VanDerWaalsContact CE1-CE2 3.45Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.34Å; H30-F161 AromaticContact ND1-CE2 3.8Å; H30-F161 AromaticContact NE2-CD2 3.7Å; H30-F161 AromaticContact NE2-CE2 3.48Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.42Å
31L90.8Very high90.8Very high77 Ų7756.1 Ų56.140%0.40328%0.277SS..Hα-helixtrans-81.2-44.9-175.2-169.368.6000112.9V27 K28 R29 L50V27-L31 PolarHBondContact O-N 2.95Å; K28-L31 PolarHBondContact O-N 3.25Å; R29-L31 VanDerWaalsContact C-N 3.32Å; L31-L50 HydrophobicContact CB-CD2 4Å; L31-L50 HydrophobicContact CD1-CD2 3.88Å
32T88.9Confident90.2Very high75 Ų7556.8 Ų56.846%0.4628%0.281SS..Hα-helixtrans-117.8-9-172.665.60000113.1K28 E34K28-T32 PolarHBondContact O-N 3.05Å; K28-T32 PolarHBondContact O-OG1 2.67Å; K28-T32 VanDerWaalsContact O-OG1 3.09Å; T32-E34 PolarHBondContact O-N 3.18Å; T32-E34 PolarHBondContact OG1-N 3.42Å
33G87.2Confident89.8Confident0 Ų062.1 Ų62.10%031%0.306CS..SBendtrans76.6-13.7-171.100000114.2R29 A183R29-G33 WeakPolarHBondContact O-CA 3.46Å; R29-G33 PolarHBondContact O-N 3.34Å; G33-A183 WeakPolarHBondContact O-CB 3.43Å; G33-A183 PolarHBondContact O-N 3.25Å
34E85.1Confident89.5Confident136 Ų13662.1 Ų62.164%0.63631%0.309SS*.  trans-81.5146.4-174.1-62.8-175159.900112.8R29 T32R29-E34 WeakPolarHBondContact CA-O 3.36Å; R29-E34 WeakPolarHBondContact CB-O 3.46Å; T32-E34 PolarHBondContact O-N 3.18Å; T32-E34 PolarHBondContact OG1-N 3.42Å
35F85.2Confident89.4Confident48 Ų4862.3 Ų62.321%0.21131%0.309CS..  trans-97113.5173.3-175-103.6000111T25 K37 A151 K152 E186T25-F35 HydrophobicContact CG2-CD2 3.58Å; T25-F35 HydrophobicContact CG2-CE2 3.48Å; T25-F35 VanDerWaalsContact CG2-CE2 3.48Å; T25-F35 HydrophobicContact CG2-CG 4.46Å; T25-F35 HydrophobicContact CG2-CZ 4.27Å; F35-K37 HydrophobicContact CD1-CG 3.92Å; F35-K37 HydrophobicContact CE1-CG 4.13Å; F35-K37 PolarHBondContact O-N 2.9Å; F35-A151 VanDerWaalsContact CD2-O 3.29Å; F35-A151 WeakPolarHBondContact CD2-O 3.48Å; F35-K152 HydrophobicContact CD2-CB 4.37Å; F35-K152 HydrophobicContact CD2-CG 4.49Å; F35-K152 HydrophobicContact CE1-CD 4.3Å; F35-K152 HydrophobicContact CE1-CG 4.17Å; F35-K152 HydrophobicContact CE2-CB 3.74Å; F35-K152 HydrophobicContact CE2-CG 4.06Å; F35-K152 HydrophobicContact CZ-CB 3.92Å; F35-K152 HydrophobicContact CZ-CD 4.13Å; F35-K152 HydrophobicContact CZ-CG 3.89Å; F35-E186 HydrophobicContact CB-CG 3.91Å; F35-E186 VanDerWaalsContact CD1-CD 3.5Å; F35-E186 HydrophobicContact CD1-CG 4.16Å; F35-E186 VanDerWaalsContact CD1-OE2 3.27Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.47Å; F35-E186 HydrophobicContact CG-CG 4.18Å
36E84.9Confident89.3Confident96 Ų9664.8 Ų64.845%0.44932%0.319SS..  trans-75.2115.8174.6-177.655.8-10200110.8T25 K38T25-E36 HydrophobicContact CG2-CB 4.41Å; E36-K38 WeakPolarHBondContact CG-O 3.23Å; E36-K38 PolarHBondContact OE1-N 3.46Å
37K85.5Confident89.3Confident149 Ų14968.1 Ų68.165%0.64834%0.34SS*.  trans-85.1-28.4179.9-67.7179.7-177.4171.80112.4F35 E186F35-K37 HydrophobicContact CD1-CG 3.92Å; F35-K37 HydrophobicContact CE1-CG 4.13Å; F35-K37 PolarHBondContact O-N 2.9Å; K37-E186 WeakPolarHBondContact CE-OE1 3.33Å; K37-E186 WeakPolarHBondContact CE-OE2 3.39Å; K37-E186 IonicContact NZ-OE1 3.11Å; K37-E186 PolarHBondContact NZ-OE1 3.21Å; K37-E186 VanDerWaalsContact NZ-OE1 3.11Å; K37-E186 IonicContact NZ-OE2 3.78Å
38K87.3Confident89.3Confident160 Ų16068.9 Ų68.970%0.69634%0.343SS*.SBendtrans-90.7127.6-177-68.1-178.3-179.4176.80109.7E36 V40E36-K38 WeakPolarHBondContact CG-O 3.23Å; E36-K38 PolarHBondContact OE1-N 3.46Å; K38-V40 PolarHBondContact O-N 3.45Å
39Y87.2Confident89.5Confident130 Ų13068.7 Ų68.751%0.5135%0.349SS..  trans-77.5108.6170.4178.7-120.3000110.1G20 A41 Q69G20-Y39 PolarHBondContact N-OH 2.93Å; Y39-A41 HydrophobicContact CE1-CB 4.43Å; Y39-Q69 PolarHBondContact OH-NE2 2.85Å
40V87.5Confident89.6Confident111 Ų11168.9 Ų68.967%0.67335%0.35SS*.  trans-109.7124.8166.1-176.20000107.3K38 T42K38-V40 PolarHBondContact O-N 3.45Å; V40-T42 PolarHBondContact O-N 3.35Å
41A87.4Confident89.6Confident24 Ų2471.2 Ų71.220%0.19837%0.365CS..  trans-72.7127-179.500000110.6Y39 F72Y39-A41 HydrophobicContact CE1-CB 4.43Å; A41-F72 HydrophobicContact CB-CD2 3.79Å; A41-F72 HydrophobicContact CB-CE2 3.72Å
42T85.4Confident89.7Confident13 Ų1367.9 Ų67.98%0.0835%0.348CS..  trans-59.5137.1172.1-38.40000110.3T24 V40 E46 A67T24-T42 PolarHBondContact OG1-OG1 3.37Å; V40-T42 PolarHBondContact O-N 3.35Å; T42-E46 HydrophobicContact CG2-CG 4.13Å; T42-A67 WeakPolarHBondContact O-CB 3.41Å
43L87.7Confident90Very high125 Ų12569.3 Ų69.365%0.65435%0.349SS*.  trans-102110.2176.4-61.5178000109.2V45 F72L43-V45 PolarHBondContact O-N 2.99Å; L43-F72 HydrophobicContact CD2-CB 4.2Å; L43-F72 HydrophobicContact CD2-CD1 3.55Å; L43-F72 HydrophobicContact CD2-CD2 4.47Å; L43-F72 HydrophobicContact CD2-CE1 3.97Å; L43-F72 HydrophobicContact CD2-CG 3.85Å
44G89.6Confident90.3Very high9 Ų969.7 Ų69.79%0.09335%0.351CS..SBendtrans68.6-98.8-176.400000112.1A67 F72G44-A67 WeakPolarHBondContact O-CB 3.27Å; G44-A67 PolarHBondContact O-N 2.97Å; G44-F72 WeakPolarHBondContact CA-O 3.49Å; G44-F72 PolarHBondContact N-O 3.34Å
45V92.4Very high90.7Very high36 Ų3666 Ų6622%0.21834%0.336CS..EExtended strand (participates in β ladder)trans-148142.5-179.568.40000111.3L43 W64 D65 T66 Y79L43-V45 PolarHBondContact O-N 2.99Å; V45-W64 HydrophobicContact CG1-CE3 4.4Å; V45-W64 HydrophobicContact CG2-CB 3.92Å; V45-W64 HydrophobicContact CG2-CD2 4.47Å; V45-W64 HydrophobicContact CG2-CE3 3.96Å; V45-D65 WeakPolarHBondContact CA-O 3.46Å; V45-D65 WeakPolarHBondContact CG2-O 3.46Å; V45-T66 HydrophobicContact CG2-CG2 4.16Å; V45-Y79 HydrophobicContact CB-CD1 4.12Å; V45-Y79 HydrophobicContact CB-CD2 4.24Å; V45-Y79 HydrophobicContact CB-CE1 3.98Å; V45-Y79 HydrophobicContact CB-CE2 4.11Å; V45-Y79 HydrophobicContact CB-CG 4.24Å; V45-Y79 HydrophobicContact CG1-CD1 3.65Å; V45-Y79 HydrophobicContact CG1-CE1 3.31Å; V45-Y79 HydrophobicContact CG1-CE2 4.32Å; V45-Y79 HydrophobicContact CG1-CG 4.28Å
46E93.9Very high91.1Very high80 Ų8070 Ų7037%0.37435%0.35SS..EExtended strand (participates in β ladder)trans-116.4135.8163.4-65.8-175.8-170.200109.7T42 H48 D65T42-E46 HydrophobicContact CG2-CG 4.13Å; E46-H48 WeakPolarHBondContact CB-NE2 3.48Å; E46-H48 IonicContact OE2-CE1 2.75Å; E46-H48 PolarHBondContact OE2-CE1 3.36Å; E46-H48 VanDerWaalsContact OE2-CE1 3.3Å; E46-H48 IonicContact OE2-NE2 2.79Å; E46-H48 PolarHBondContact OE2-NE2 3.23Å; E46-D65 PolarHBondContact N-O 3.45Å; E46-D65 PolarHBondContact O-N 3.48Å
47V95.9Very high91.5Very high71 Ų7167 Ų6743%0.4334%0.344SS..EExtended strand (participates in β ladder)trans-104.9121.9179.6-174.60000109.8N62 V63 W64V47-N62 HydrophobicContact CG1-CB 4.4Å; V47-V63 CarbonylContact C-O 3.56Å; V47-V63 WeakPolarHBondContact CA-O 3.47Å; V47-W64 HydrophobicContact CG2-CD2 3.79Å; V47-W64 HydrophobicContact CG2-CE3 4.21Å; V47-W64 HydrophobicContact CG2-CG 4.04Å; V47-W64 HydrophobicContact CG2-CZ2 4.31Å
48H96.1Very high91.9Very high17 Ų1762.5 Ų62.58%0.07933%0.33CS..EExtended strand (participates in β ladder)trans-121.6116.3-176.6-61.3-83.8000110.3V27 E46 L50 V63V27-H48 HydrophobicContact CG1-CB 3.48Å; V27-H48 VanDerWaalsContact CG1-CB 3.48Å; E46-H48 WeakPolarHBondContact CB-NE2 3.48Å; E46-H48 IonicContact OE2-CE1 2.75Å; E46-H48 PolarHBondContact OE2-CE1 3.36Å; E46-H48 VanDerWaalsContact OE2-CE1 3.3Å; E46-H48 IonicContact OE2-NE2 2.79Å; E46-H48 PolarHBondContact OE2-NE2 3.23Å; H48-L50 PolarHBondContact O-N 3.06Å; H48-V63 PolarHBondContact N-O 3.48Å; H48-V63 PolarHBondContact O-N 2.96Å
49P95.5Very high92.3Very high69 Ų6955.1 Ų55.145%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-77.8116.9174.330.2-31.7000110.4K60P49-K60 HydrophobicContact CB-CD 4.2Å; P49-K60 HydrophobicContact CB-CG 4.45Å
50L94.9Very high92.7Very high6 Ų650.5 Ų50.53%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-108.5127.1172.7-64.7-179.2000109.8H30 L31 H48 F52 K60 F61 V63 F161H30-L50 HydrophobicContact CB-CD1 3.69Å; H30-L50 HydrophobicContact CB-CD2 3.84Å; H30-L50 HydrophobicContact CB-CG 4.43Å; L31-L50 HydrophobicContact CB-CD2 4Å; L31-L50 HydrophobicContact CD1-CD2 3.88Å; H48-L50 PolarHBondContact O-N 3.06Å; L50-F52 HydrophobicContact CB-CE2 3.88Å; L50-F52 HydrophobicContact CB-CZ 4.49Å; L50-K60 CarbonylContact O-C 3.51Å; L50-K60 VanDerWaalsContact O-CA 3.31Å; L50-K60 WeakPolarHBondContact O-CA 3.43Å; L50-F61 PolarHBondContact N-O 3.31Å; L50-F61 PolarHBondContact O-N 3.41Å; L50-V63 HydrophobicContact CD1-CG2 3.86Å; L50-V63 HydrophobicContact CG-CG2 4.21Å; L50-F161 HydrophobicContact CD1-CE1 4.12Å; L50-F161 HydrophobicContact CD1-CZ 3.77Å
51V93.6Very high93.2Very high63 Ų6345.2 Ų45.238%0.38225%0.249SC..EExtended strand (participates in β ladder)trans-111.7123.3180-177.40000109.7P58 I59 K60V51-P58 HydrophobicContact CG1-CB 4.17Å; V51-I59 WeakPolarHBondContact CA-O 3.4Å; V51-K60 HydrophobicContact CG2-CB 4.19Å; V51-K60 HydrophobicContact CG2-CG 4.06Å
52F93.6Very high93.7Very high8 Ų845.9 Ų45.94%0.03525%0.249CC..EExtended strand (participates in β ladder)trans-110.1129.1174.9-63.1-90.9000109.3H30 L50 P58 I59 F61 F161 F176 P180H30-F52 AromaticContact CD2-CZ 3.83Å; L50-F52 HydrophobicContact CB-CE2 3.88Å; L50-F52 HydrophobicContact CB-CZ 4.49Å; F52-P58 WeakPolarHBondContact O-CA 3.3Å; F52-I59 PolarHBondContact N-O 2.96Å; F52-I59 PolarHBondContact O-N 3.3Å; F52-F61 AromaticContact CD2-CD2 3.85Å; F52-F61 HydrophobicContact CD2-CD2 3.85Å; F52-F61 HydrophobicContact CD2-CE2 4.3Å; F52-F61 AromaticContact CE2-CD2 3.9Å; F52-F61 HydrophobicContact CE2-CD2 3.9Å; F52-F161 HydrophobicContact CE1-CB 4.32Å; F52-F161 HydrophobicContact CE1-CD2 4.33Å; F52-F161 HydrophobicContact CE1-CG 4.35Å; F52-F161 HydrophobicContact CE2-CB 4.05Å; F52-F161 AromaticContact CE2-CD1 3.73Å; F52-F161 HydrophobicContact CE2-CD1 3.73Å; F52-F161 HydrophobicContact CE2-CD2 4.28Å; F52-F161 HydrophobicContact CE2-CE1 4.2Å; F52-F161 AromaticContact CE2-CG 3.76Å; F52-F161 HydrophobicContact CE2-CG 3.76Å; F52-F161 HydrophobicContact CZ-CB 3.89Å; F52-F161 AromaticContact CZ-CD1 3.92Å; F52-F161 HydrophobicContact CZ-CD1 3.92Å; F52-F161 AromaticContact CZ-CD2 3.61Å; F52-F161 HydrophobicContact CZ-CD2 3.61Å; F52-F161 HydrophobicContact CZ-CE1 4.33Å; F52-F161 HydrophobicContact CZ-CE2 4.05Å; F52-F161 AromaticContact CZ-CG 3.53Å; F52-F161 HydrophobicContact CZ-CG 3.53Å; F52-F161 HydrophobicContact CZ-CZ 4.39Å; F52-F176 HydrophobicContact CB-CD1 4.1Å; F52-F176 HydrophobicContact CB-CE1 3.74Å; F52-F176 HydrophobicContact CB-CE2 4.4Å; F52-F176 HydrophobicContact CB-CZ 3.9Å; F52-F176 AromaticContact CD1-CD2 3.89Å; F52-F176 HydrophobicContact CD1-CD2 3.89Å; F52-F176 HydrophobicContact CD1-CE1 4.32Å; F52-F176 AromaticContact CD1-CE2 3.44Å; F52-F176 HydrophobicContact CD1-CE2 3.44Å; F52-F176 VanDerWaalsContact CD1-CE2 3.44Å; F52-F176 HydrophobicContact CD1-CG 4.49Å; F52-F176 AromaticContact CD1-CZ 3.68Å; F52-F176 HydrophobicContact CD1-CZ 3.68Å; F52-F176 HydrophobicContact CD2-CZ 4.45Å; F52-F176 AromaticContact CE1-CE2 3.88Å; F52-F176 HydrophobicContact CE1-CE2 3.88Å; F52-F176 HydrophobicContact CE1-CZ 4.31Å; F52-F176 HydrophobicContact CG-CE1 4.13Å; F52-F176 HydrophobicContact CG-CE2 4.03Å; F52-F176 AromaticContact CG-CZ 3.75Å; F52-F176 HydrophobicContact CG-CZ 3.75Å; F52-P180 HydrophobicContact CE1-CG 4.32Å
53H93.6Very high94.3Very high104 Ų10445.3 Ų45.348%0.48125%0.246SC..EExtended strand (participates in β ladder)trans-88124.7175.3-66.282.1000108.8F176 V177 A178H53-F176 WeakPolarHBondContact O-CA 2.9Å; H53-V177 HydrophobicContact CB-CG2 4Å; H53-V177 WeakPolarHBondContact O-CG2 2.95Å; H53-V177 PolarHBondContact O-N 3.09Å; H53-A178 HydrophobicContact CB-CB 4.32Å
54T94.3Very high94.8Very high9 Ų942.4 Ų42.46%0.05523%0.226CC..EExtended strand (participates in β ladder)trans-120.9167.2-175.884.50000111.4R56 G57 I59 L174 E175 F176T54-R56 PolarHBondContact O-N 2.79Å; T54-R56 PolarHBondContact OG1-N 2.92Å; T54-G57 WeakPolarHBondContact CB-O 3.19Å; T54-G57 PolarHBondContact N-O 3.08Å; T54-G57 VanDerWaalsContact N-O 3.08Å; T54-G57 PolarHBondContact O-N 3.37Å; T54-G57 PolarHBondContact OG1-N 3.02Å; T54-G57 PolarHBondContact OG1-O 3.27Å; T54-I59 HydrophobicContact CG2-CB 4.43Å; T54-I59 HydrophobicContact CG2-CD1 3.97Å; T54-I59 HydrophobicContact CG2-CG1 4.07Å; T54-L174 HydrophobicContact CG2-CD2 4.07Å; T54-L174 HydrophobicContact CG2-CG 4.48Å; T54-E175 CarbonylContact C-O 3.55Å; T54-E175 WeakPolarHBondContact CA-O 3.35Å; T54-E175 VanDerWaalsContact CB-O 3.3Å; T54-E175 WeakPolarHBondContact CB-O 3.45Å; T54-F176 HydrophobicContact CG2-CD1 3.79Å; T54-F176 HydrophobicContact CG2-CE1 4Å
55N94.6Very high95.1Very high58 Ų5842 Ų4231%0.3122%0.221SC..THydrogen-bonded Turntrans-67.83.7169.764.8-8.8000113.6N173 L174 E175 V177N55-N173 PolarHBondContact ND2-O 3.37Å; N55-L174 WeakPolarHBondContact OD1-CA 3.36Å; N55-E175 PolarHBondContact N-O 3.02Å; N55-E175 PolarHBondContact OD1-N 2.82Å; N55-E175 PolarHBondContact OD1-O 3.44Å; N55-V177 HydrophobicContact CB-CG1 3.8Å
56R93.6Very high95.1Very high133 Ų13340.5 Ų40.550%0.50221%0.212SC..THydrogen-bonded Turntrans-120.213172.2-57.7-62.1179.3-85.8-13.3112.7T54 D171 L174T54-R56 PolarHBondContact O-N 2.79Å; T54-R56 PolarHBondContact OG1-N 2.92Å; R56-D171 IonicContact CZ-OD2 3.16Å; R56-D171 IonicContact NE-OD2 2.8Å; R56-D171 PolarHBondContact NE-OD2 3.28Å; R56-D171 IonicContact NH2-OD1 3.37Å; R56-D171 IonicContact NH2-OD2 3.6Å; R56-D171 PolarHBondContact NH2-OD2 3.3Å; R56-L174 HydrophobicContact CG-CD1 4.37Å
57G92.7Very high94.9Very high31 Ų3137 Ų3732%0.3220%0.197SC..EExtended strand (participates in β ladder)trans98.6-179.3-175.200000113.1T54T54-G57 WeakPolarHBondContact CB-O 3.19Å; T54-G57 PolarHBondContact N-O 3.08Å; T54-G57 VanDerWaalsContact N-O 3.08Å; T54-G57 PolarHBondContact O-N 3.37Å; T54-G57 PolarHBondContact OG1-N 3.02Å; T54-G57 PolarHBondContact OG1-O 3.27Å
58P93.9Very high94.2Very high56 Ų5634.2 Ų34.236%0.36418%0.183SC..EExtended strand (participates in β ladder)trans-75.5135-176.931.1-34.7000111.7P7 V51 F52P7-P58 HydrophobicContact CB-CB 4.12Å; P7-P58 HydrophobicContact CB-CG 4.08Å; V51-P58 HydrophobicContact CG1-CB 4.17Å; F52-P58 WeakPolarHBondContact O-CA 3.3Å
59I95.3Very high93.3Very high5 Ų535.8 Ų35.83%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-115.8129.6173-64.6-179.1000108.6V9 F11 V51 F52 T54 F61 A165 I169 L174V9-I59 HydrophobicContact CG1-CG1 4.45Å; F11-I59 HydrophobicContact CD2-CG2 3.84Å; F11-I59 HydrophobicContact CE2-CG2 3.88Å; V51-I59 WeakPolarHBondContact CA-O 3.4Å; F52-I59 PolarHBondContact N-O 2.96Å; F52-I59 PolarHBondContact O-N 3.3Å; T54-I59 HydrophobicContact CG2-CB 4.43Å; T54-I59 HydrophobicContact CG2-CD1 3.97Å; T54-I59 HydrophobicContact CG2-CG1 4.07Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.99Å; I59-F61 HydrophobicContact CG2-CZ 4.3Å; I59-A165 HydrophobicContact CD1-CB 4.09Å; I59-I169 HydrophobicContact CD1-CD1 3.99Å; I59-I169 HydrophobicContact CD1-CG1 3.77Å; I59-L174 HydrophobicContact CD1-CD1 3.69Å
60K96.3Very high92.3Very high32 Ų3239.4 Ų39.414%0.13920%0.201CC..EExtended strand (participates in β ladder)trans-105126.4175.3-177.5-177.3-77.4167.60111P7 V9 Q10 F11 P49 L50 V51P7-K60 HydrophobicContact CB-CB 4.27Å; P7-K60 HydrophobicContact CG-CB 3.75Å; P7-K60 HydrophobicContact CG-CD 4.15Å; P7-K60 VanDerWaalsContact CG-CE 3.42Å; P7-K60 HydrophobicContact CG-CG 4.48Å; V9-K60 PolarHBondContact O-N 3Å; Q10-K60 CarbonylContact C-O 3.5Å; Q10-K60 WeakPolarHBondContact CA-O 3.45Å; Q10-K60 HydrophobicContact CB-CB 4.08Å; F11-K60 PolarHBondContact N-O 3.19Å; P49-K60 HydrophobicContact CB-CD 4.2Å; P49-K60 HydrophobicContact CB-CG 4.45Å; L50-K60 CarbonylContact O-C 3.51Å; L50-K60 VanDerWaalsContact O-CA 3.31Å; L50-K60 WeakPolarHBondContact O-CA 3.43Å; V51-K60 HydrophobicContact CG2-CB 4.19Å; V51-K60 HydrophobicContact CG2-CG 4.06Å
61F97.7Very high91.5Very high0 Ų046.7 Ų46.70%023%0.232CC..EExtended strand (participates in β ladder)trans-99.5117.2163.6-70.9-77.4000109F11 L13 L50 F52 I59 V63 F161 L164 A165 L168F11-F61 HydrophobicContact CB-CD1 3.84Å; F11-F61 HydrophobicContact CB-CE1 3.93Å; F11-F61 HydrophobicContact CD2-CE1 4.03Å; F11-F61 HydrophobicContact CD2-CZ 4.4Å; F11-F61 HydrophobicContact CG-CE1 4.33Å; F11-F61 WeakPolarHBondContact O-CA 3.38Å; L13-F61 HydrophobicContact CB-CB 4.45Å; L13-F61 HydrophobicContact CB-CD1 4.04Å; L13-F61 HydrophobicContact CD1-CD1 3.82Å; L13-F61 HydrophobicContact CD1-CE1 4.27Å; L13-F61 HydrophobicContact CD1-CG 4.24Å; L50-F61 PolarHBondContact N-O 3.31Å; L50-F61 PolarHBondContact O-N 3.41Å; F52-F61 AromaticContact CD2-CD2 3.85Å; F52-F61 HydrophobicContact CD2-CD2 3.85Å; F52-F61 HydrophobicContact CD2-CE2 4.3Å; F52-F61 AromaticContact CE2-CD2 3.9Å; F52-F61 HydrophobicContact CE2-CD2 3.9Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.99Å; I59-F61 HydrophobicContact CG2-CZ 4.3Å; F61-V63 HydrophobicContact CB-CG2 3.98Å; F61-V63 PolarHBondContact O-N 3.05Å; F61-F161 AromaticContact CD2-CD1 3.81Å; F61-F161 HydrophobicContact CD2-CD1 3.81Å; F61-F161 HydrophobicContact CE2-CB 4.34Å; F61-F161 HydrophobicContact CE2-CD1 4.13Å; F61-F161 HydrophobicContact CG-CD1 4.22Å; F61-L164 HydrophobicContact CE1-CB 4.33Å; F61-L164 HydrophobicContact CZ-CB 4.11Å; F61-A165 HydrophobicContact CE2-CB 4.42Å; F61-A165 HydrophobicContact CZ-CB 4.22Å; F61-L168 HydrophobicContact CE1-CD1 3.73Å; F61-L168 HydrophobicContact CZ-CD1 4.24Å
62N97.7Very high90.7Very high39 Ų3946.6 Ų46.621%0.20923%0.227CC..EExtended strand (participates in β ladder)trans-81.297.4164.6-67.1-53000106.6F11 L13 V47 W64F11-N62 PolarHBondContact O-N 3.01Å; L13-N62 PolarHBondContact N-O 3.3Å; V47-N62 HydrophobicContact CG1-CB 4.4Å; N62-W64 VanDerWaalsContact O-CD1 3.3Å
63V98Very high89.3Confident1 Ų146.5 Ų46.51%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-86115.1-175.4-1790000110L13 L15 V27 V47 H48 L50 F61 D65 F161L13-V63 HydrophobicContact CB-CG2 4.42Å; L13-V63 HydrophobicContact CD2-CB 4.47Å; L13-V63 HydrophobicContact CD2-CG1 3.89Å; L13-V63 HydrophobicContact CD2-CG2 4.23Å; L13-V63 CarbonylContact O-C 3.58Å; L13-V63 WeakPolarHBondContact O-CA 3.4Å; L15-V63 HydrophobicContact CB-CG1 4.09Å; L15-V63 HydrophobicContact CD2-CG1 4.34Å; V27-V63 HydrophobicContact CG2-CG1 3.68Å; V47-V63 CarbonylContact C-O 3.56Å; V47-V63 WeakPolarHBondContact CA-O 3.47Å; H48-V63 PolarHBondContact N-O 3.48Å; H48-V63 PolarHBondContact O-N 2.96Å; L50-V63 HydrophobicContact CD1-CG2 3.86Å; L50-V63 HydrophobicContact CG-CG2 4.21Å; F61-V63 HydrophobicContact CB-CG2 3.98Å; F61-V63 PolarHBondContact O-N 3.05Å; V63-D65 PolarHBondContact O-N 3.04Å; V63-F161 HydrophobicContact CG2-CE1 4.15Å
64W97.3Very high88.7Confident63 Ų6344.5 Ų44.524%0.23924%0.236CC..EExtended strand (participates in β ladder)trans-88.792.4173.8-68.656.2000107.7K12 L13 V14 L15 V45 V47 N62 T66 Y79K12-W64 HydrophobicContact CD-CZ2 4.28Å; L13-W64 PolarHBondContact O-N 3.39Å; V14-W64 HydrophobicContact CG1-CB 4.11Å; V14-W64 HydrophobicContact CG1-CG 4.47Å; L15-W64 PolarHBondContact N-O 3.38Å; V45-W64 HydrophobicContact CG1-CE3 4.4Å; V45-W64 HydrophobicContact CG2-CB 3.92Å; V45-W64 HydrophobicContact CG2-CD2 4.47Å; V45-W64 HydrophobicContact CG2-CE3 3.96Å; V47-W64 HydrophobicContact CG2-CD2 3.79Å; V47-W64 HydrophobicContact CG2-CE3 4.21Å; V47-W64 HydrophobicContact CG2-CG 4.04Å; V47-W64 HydrophobicContact CG2-CZ2 4.31Å; N62-W64 VanDerWaalsContact O-CD1 3.3Å; W64-T66 PolarHBondContact O-N 3.02Å; W64-Y79 HydrophobicContact CE3-CD1 4.22Å; W64-Y79 AromaticContact CZ3-CD1 4Å; W64-Y79 HydrophobicContact CZ3-CD1 4Å
65D95.8Very high88Confident0 Ų050 Ų500%027%0.265CS..EExtended strand (participates in β ladder)trans-75.5105.4174.3-179.730.3000109.4K23 T24 V27 V45 E46 V63K23-D65 VanDerWaalsContact CB-OD1 3.29Å; K23-D65 WeakPolarHBondContact CB-OD1 3.29Å; T24-D65 VanDerWaalsContact CA-OD2 3.23Å; T24-D65 WeakPolarHBondContact CA-OD2 3.27Å; T24-D65 VanDerWaalsContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CB-OD2 3.28Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.4Å; T24-D65 PolarHBondContact OG1-OD2 3.37Å; V27-D65 HydrophobicContact CG2-CB 4.47Å; V45-D65 WeakPolarHBondContact CA-O 3.46Å; V45-D65 WeakPolarHBondContact CG2-O 3.46Å; E46-D65 PolarHBondContact N-O 3.45Å; E46-D65 PolarHBondContact O-N 3.48Å; V63-D65 PolarHBondContact O-N 3.04Å
66T93.2Very high87.2Confident5 Ų552.3 Ų52.33%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-93.5149.7-174.366.20000112.6L15 V16 K23 V45 W64 G68 Y79L15-T66 PolarHBondContact O-N 3.2Å; L15-T66 PolarHBondContact O-OG1 2.86Å; V16-T66 HydrophobicContact CG1-CG2 4.47Å; K23-T66 WeakPolarHBondContact CE-O 3.17Å; V45-T66 HydrophobicContact CG2-CG2 4.16Å; W64-T66 PolarHBondContact O-N 3.02Å; T66-G68 PolarHBondContact O-N 2.82Å; T66-Y79 HydrophobicContact CG2-CD2 4.45Å
67A89.5Confident86.6Confident7 Ų748 Ų486%0.05826%0.256CS..  trans-62.6123.2172.200000111.3T42 G44 F72T42-A67 WeakPolarHBondContact O-CB 3.41Å; G44-A67 WeakPolarHBondContact O-CB 3.27Å; G44-A67 PolarHBondContact O-N 2.97Å; A67-F72 HydrophobicContact CB-CB 4Å; A67-F72 WeakPolarHBondContact CB-O 3.45Å
68G80.5Confident86.4Confident12 Ų1248 Ų4812%0.12426%0.256CS..  trans-88-3.2177.600000114.7G17 D18 G19 T66G17-G68 WeakPolarHBondContact O-CA 3.41Å; D18-G68 CarbonylContact C-O 3.57Å; G19-G68 VanDerWaalsContact N-C 3.33Å; G19-G68 PolarHBondContact N-O 2.85Å; T66-G68 PolarHBondContact O-N 2.82Å
69Q78.7Confident86.4Confident50 Ų5046.9 Ų46.923%0.23425%0.245CC..SBendtrans-102.2127.8175.7-63.2-170.525.700109.1Y39 K71 F72 G73Y39-Q69 PolarHBondContact OH-NE2 2.85Å; Q69-K71 HydrophobicContact CB-CG 4.25Å; Q69-K71 PolarHBondContact O-N 3.16Å; Q69-K71 VanDerWaalsContact O-N 3.14Å; Q69-F72 HydrophobicContact CB-CD2 3.81Å; Q69-F72 HydrophobicContact CG-CD2 4.35Å; Q69-F72 CarbonylContact O-C 3.51Å; Q69-F72 PolarHBondContact O-N 2.87Å; Q69-G73 PolarHBondContact O-N 2.96Å
70E74.6Confident86.3Confident145 Ų14546.8 Ų46.868%0.67824%0.244SC*.G310 helixtrans-49.7-41.8-178.8-76.8-138-160.800114.3F72 G73 R76E70-F72 PolarHBondContact O-N 2.96Å; E70-G73 PolarHBondContact O-N 2.89Å; E70-R76 VanDerWaalsContact CA-NH2 3.31Å; E70-R76 PolarHBondContact O-NH2 3.18Å; E70-R76 IonicContact OE2-CZ 3.09Å; E70-R76 IonicContact OE2-NH1 2.69Å; E70-R76 PolarHBondContact OE2-NH1 3.25Å; E70-R76 VanDerWaalsContact OE2-NH1 3.09Å; E70-R76 IonicContact OE2-NH2 3.63Å; E70-R76 PolarHBondContact OE2-NH2 2.77Å
71K77Confident86.3Confident159 Ų15949.9 Ų49.969%0.69126%0.261SS*.G310 helixtrans-65.9-18.7178.860172.9171.8174.90114.5Q69Q69-K71 HydrophobicContact CB-CG 4.25Å; Q69-K71 PolarHBondContact O-N 3.16Å; Q69-K71 VanDerWaalsContact O-N 3.14Å
72F76.2Confident86.1Confident62 Ų6257.7 Ų57.727%0.27230%0.297SS..G310 helixtrans-112.98.5179.7-56.4-46.8000112.1A41 L43 G44 A67 Q69 E70 G74A41-F72 HydrophobicContact CB-CD2 3.79Å; A41-F72 HydrophobicContact CB-CE2 3.72Å; L43-F72 HydrophobicContact CD2-CB 4.2Å; L43-F72 HydrophobicContact CD2-CD1 3.55Å; L43-F72 HydrophobicContact CD2-CD2 4.47Å; L43-F72 HydrophobicContact CD2-CE1 3.97Å; L43-F72 HydrophobicContact CD2-CG 3.85Å; G44-F72 WeakPolarHBondContact CA-O 3.49Å; G44-F72 PolarHBondContact N-O 3.34Å; A67-F72 HydrophobicContact CB-CB 4Å; A67-F72 WeakPolarHBondContact CB-O 3.45Å; Q69-F72 HydrophobicContact CB-CD2 3.81Å; Q69-F72 HydrophobicContact CG-CD2 4.35Å; Q69-F72 CarbonylContact O-C 3.51Å; Q69-F72 PolarHBondContact O-N 2.87Å; E70-F72 PolarHBondContact O-N 2.96Å; F72-G74 PolarHBondContact O-N 3.14Å; F72-G74 VanDerWaalsContact O-N 3.09Å
73G65.3Low86.1Confident6 Ų656.1 Ų56.16%0.06229%0.29CS..  trans-65.8-13.4-168.800000115.8Q69 E70 L75 R76 Y79Q69-G73 PolarHBondContact O-N 2.96Å; E70-G73 PolarHBondContact O-N 2.89Å; G73-L75 PolarHBondContact O-N 3.08Å; G73-R76 WeakPolarHBondContact O-CA 3.41Å; G73-R76 WeakPolarHBondContact O-CG 3.14Å; G73-R76 PolarHBondContact O-N 3.39Å; G73-Y79 WeakPolarHBondContact O-CE2 3.32Å
74G81Confident86.1Confident62 Ų6260 Ų6064%0.63931%0.309SS*.THydrogen-bonded Turntrans52.8-125.1-179.500000111.9F72 R76F72-G74 PolarHBondContact O-N 3.14Å; F72-G74 VanDerWaalsContact O-N 3.09Å; G74-R76 PolarHBondContact O-N 3.17Å
75L79.2Confident86.2Confident125 Ų12557 Ų5765%0.65430%0.297SS*.THydrogen-bonded Turntrans-73.6-8.9177.7-65.2173.7000114.4G73 D77 G78 Y79G73-L75 PolarHBondContact O-N 3.08Å; L75-D77 PolarHBondContact O-N 3.05Å; L75-G78 PolarHBondContact O-N 3.16Å; L75-Y79 HydrophobicContact CB-CD1 4.13Å; L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE1 3.77Å; L75-Y79 HydrophobicContact CB-CE2 3.94Å; L75-Y79 HydrophobicContact CB-CG 4.38Å; L75-Y79 HydrophobicContact CD1-CD1 4.3Å; L75-Y79 HydrophobicContact CD1-CE1 3.77Å; L75-Y79 HydrophobicContact CG-CE1 4.05Å; L75-Y79 PolarHBondContact N-OH 3.21Å
76R78.4Confident86.3Confident105 Ų10557 Ų5740%0.39630%0.297SS..G310 helixtrans43.9-110.2-175.2-62.3-172-178.6-165.21.8111.7E70 G73 G74 G78 Y79E70-R76 VanDerWaalsContact CA-NH2 3.31Å; E70-R76 PolarHBondContact O-NH2 3.18Å; E70-R76 IonicContact OE2-CZ 3.09Å; E70-R76 IonicContact OE2-NH1 2.69Å; E70-R76 PolarHBondContact OE2-NH1 3.25Å; E70-R76 VanDerWaalsContact OE2-NH1 3.09Å; E70-R76 IonicContact OE2-NH2 3.63Å; E70-R76 PolarHBondContact OE2-NH2 2.77Å; G73-R76 WeakPolarHBondContact O-CA 3.41Å; G73-R76 WeakPolarHBondContact O-CG 3.14Å; G73-R76 PolarHBondContact O-N 3.39Å; G74-R76 PolarHBondContact O-N 3.17Å; R76-G78 PolarHBondContact O-N 2.91Å; R76-G78 VanDerWaalsContact O-N 3.14Å; R76-Y79 WeakPolarHBondContact O-CB 3.29Å; R76-Y79 VanDerWaalsContact O-CD2 3.22Å; R76-Y79 WeakPolarHBondContact O-CD2 3.43Å; R76-Y79 PolarHBondContact O-N 3.39Å
77D81.1Confident86.6Confident43 Ų4356.9 Ų56.923%0.2330%0.296CS..G310 helixtrans-58.1-26.6-177.8-54.87.8000112.9L75 Y79 Y80 V111L75-D77 PolarHBondContact O-N 3.05Å; D77-Y79 PolarHBondContact O-N 2.95Å; D77-Y80 HydrophobicContact CB-CD2 4.12Å; D77-Y80 HydrophobicContact CB-CE2 4.16Å; D77-Y80 VanDerWaalsContact O-CB 3.32Å; D77-Y80 WeakPolarHBondContact O-CB 3.36Å; D77-Y80 PolarHBondContact O-N 3.27Å; D77-V111 HydrophobicContact CB-CG2 3.99Å
78G88.8Confident87Confident32 Ų3256.5 Ų56.533%0.3329%0.293SS..G310 helixtrans-60.3-25.817400000113.2L75 R76 Y80L75-G78 PolarHBondContact O-N 3.16Å; R76-G78 PolarHBondContact O-N 2.91Å; R76-G78 VanDerWaalsContact O-N 3.14Å; G78-Y80 PolarHBondContact O-N 3.28Å
79Y92.4Very high87.8Confident31 Ų3156 Ų5612%0.12229%0.288CS..G310 helixtrans-71.4-20.4174.1-60.4-50.5000112.8K12 V45 W64 T66 G73 L75 R76 D77K12-Y79 VanDerWaalsContact CE-O 3.27Å; K12-Y79 WeakPolarHBondContact CE-O 3.38Å; K12-Y79 PolarHBondContact NZ-O 2.79Å; V45-Y79 HydrophobicContact CB-CD1 4.12Å; V45-Y79 HydrophobicContact CB-CD2 4.24Å; V45-Y79 HydrophobicContact CB-CE1 3.98Å; V45-Y79 HydrophobicContact CB-CE2 4.11Å; V45-Y79 HydrophobicContact CB-CG 4.24Å; V45-Y79 HydrophobicContact CG1-CD1 3.65Å; V45-Y79 HydrophobicContact CG1-CE1 3.31Å; V45-Y79 HydrophobicContact CG1-CE2 4.32Å; V45-Y79 HydrophobicContact CG1-CG 4.28Å; W64-Y79 HydrophobicContact CE3-CD1 4.22Å; W64-Y79 AromaticContact CZ3-CD1 4Å; W64-Y79 HydrophobicContact CZ3-CD1 4Å; T66-Y79 HydrophobicContact CG2-CD2 4.45Å; G73-Y79 WeakPolarHBondContact O-CE2 3.32Å; L75-Y79 HydrophobicContact CB-CD1 4.13Å; L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE1 3.77Å; L75-Y79 HydrophobicContact CB-CE2 3.94Å; L75-Y79 HydrophobicContact CB-CG 4.38Å; L75-Y79 HydrophobicContact CD1-CD1 4.3Å; L75-Y79 HydrophobicContact CD1-CE1 3.77Å; L75-Y79 HydrophobicContact CG-CE1 4.05Å; L75-Y79 PolarHBondContact N-OH 3.21Å; R76-Y79 WeakPolarHBondContact O-CB 3.29Å; R76-Y79 VanDerWaalsContact O-CD2 3.22Å; R76-Y79 WeakPolarHBondContact O-CD2 3.43Å; R76-Y79 PolarHBondContact O-N 3.39Å; D77-Y79 PolarHBondContact O-N 2.95Å
80Y94.5Very high88.8Confident4 Ų453.6 Ų53.62%0.01628%0.276CS..G310 helixtrans-79-21.5-174.9-50.7-19.9000112.7V14 V16 D77 G78 Q82 A83 D107 L108 V111 C112V14-Y80 HydrophobicContact CB-CD1 4.42Å; V14-Y80 HydrophobicContact CG1-CD1 4.36Å; V16-Y80 HydrophobicContact CG1-CD1 4.47Å; V16-Y80 HydrophobicContact CG1-CE1 3.63Å; D77-Y80 HydrophobicContact CB-CD2 4.12Å; D77-Y80 HydrophobicContact CB-CE2 4.16Å; D77-Y80 VanDerWaalsContact O-CB 3.32Å; D77-Y80 WeakPolarHBondContact O-CB 3.36Å; D77-Y80 PolarHBondContact O-N 3.27Å; G78-Y80 PolarHBondContact O-N 3.28Å; Y80-Q82 PolarHBondContact O-N 3.09Å; Y80-A83 WeakPolarHBondContact O-CB 3.26Å; Y80-A83 PolarHBondContact O-N 2.88Å; Y80-D107 HydrophobicContact CE2-CB 4.25Å; Y80-L108 HydrophobicContact CD1-CD2 4.05Å; Y80-L108 HydrophobicContact CD2-CD2 3.93Å; Y80-L108 HydrophobicContact CD2-CG 4.4Å; Y80-L108 HydrophobicContact CE1-CD2 4.4Å; Y80-L108 HydrophobicContact CE2-CD2 4.27Å; Y80-L108 HydrophobicContact CE2-CG 4.39Å; Y80-L108 HydrophobicContact CG-CD2 3.84Å; Y80-V111 HydrophobicContact CD2-CB 4.47Å; Y80-V111 HydrophobicContact CD2-CG2 4.14Å; Y80-C112 PolarHBondContact O-SG 3.27Å
81I94.7Very high89.9Confident96 Ų9647.2 Ų47.249%0.49225%0.247SC..THydrogen-bonded Turntrans-47.8126.6-176.6-64.7172.7000111.1K12 A83 V111K12-I81 PolarHBondContact NZ-O 3.05Å; I81-A83 PolarHBondContact O-N 3.06Å; I81-V111 HydrophobicContact CG1-CG1 3.95Å
82Q95Very high90.9Very high164 Ų16439.7 Ų39.777%0.76621%0.214SC*.THydrogen-bonded Turntrans60.420.8-178.8-60.3172.4-14.700114.9Y80 Q84Y80-Q82 PolarHBondContact O-N 3.09Å; Q82-Q84 PolarHBondContact O-N 2.93Å
83A97.7Very high91.9Very high7 Ų738.4 Ų38.46%0.05821%0.212CC..  trans-59.7138.9166.400000109.6K12 V14 Y80 I81 I115K12-A83 HydrophobicContact CG-CB 4.46Å; V14-A83 HydrophobicContact CB-CB 4.45Å; V14-A83 HydrophobicContact CG1-CB 3.78Å; V14-A83 HydrophobicContact CG2-CB 3.83Å; Y80-A83 WeakPolarHBondContact O-CB 3.26Å; Y80-A83 PolarHBondContact O-N 2.88Å; I81-A83 PolarHBondContact O-N 3.06Å; A83-I115 HydrophobicContact CB-CD1 4.31Å; A83-I115 WeakPolarHBondContact O-CG2 3.34Å
84Q98.1Very high93.4Very high83 Ų8339.9 Ų39.939%0.38822%0.221SC..SBendtrans-99.6-20.5177.2-68.3161.7-77.700111F11 K12 Q82 P116 L168F11-Q84 VanDerWaalsContact CA-OE1 3.26Å; F11-Q84 HydrophobicContact CD1-CB 4.28Å; K12-Q84 PolarHBondContact O-N 2.96Å; Q82-Q84 PolarHBondContact O-N 2.93Å; Q84-P116 WeakPolarHBondContact O-CD 3.49Å; Q84-L168 HydrophobicContact CB-CD2 4.3Å; Q84-L168 WeakPolarHBondContact O-CD2 3.46Å
85C98.5Very high94.1Very high0 Ų045.4 Ų45.40%022%0.222CC..EExtended strand (participates in β ladder)trans-156.6165175.957.80000111.2K12 L13 V14 P116 L164 L168K12-C85 PolarHBondContact O-N 2.85Å; L13-C85 WeakPolarHBondContact CA-O 3.26Å; V14-C85 PolarHBondContact N-O 3.24Å; V14-C85 VanDerWaalsContact N-O 3.09Å; C85-P116 WeakPolarHBondContact CA-O 3.41Å; C85-P116 HydrophobicContact CB-CG 3.99Å; C85-P116 WeakPolarHBondContact CB-O 3.47Å; C85-L164 HydrophobicContact CB-CD1 4.32Å; C85-L164 HydrophobicContact CB-CD2 3.71Å; C85-L164 HydrophobicContact CB-CG 4.5Å; C85-L168 HydrophobicContact CB-CD1 4.01Å; C85-L168 HydrophobicContact CB-CD2 4.43Å
86A98.3Very high95Very high0 Ų043.4 Ų43.40%022%0.215CC..EExtended strand (participates in β ladder)trans-139.4154.8176.700000113.5V14 L108 I115 P116 I117 V118V14-A86 HydrophobicContact CG2-CB 3.57Å; V14-A86 CarbonylContact O-C 3.58Å; V14-A86 VanDerWaalsContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CA 3.32Å; A86-L108 HydrophobicContact CB-CD1 3.76Å; A86-L108 HydrophobicContact CB-CD2 4.12Å; A86-I115 HydrophobicContact CB-CD1 3.99Å; A86-P116 PolarHBondContact N-O 3.32Å; A86-I117 HydrophobicContact CB-CG1 4.1Å; A86-I117 HydrophobicContact CB-CG2 4.21Å; A86-I117 WeakPolarHBondContact O-CA 3.49Å; A86-V118 PolarHBondContact O-N 3Å
87I98.7Very high95.9Very high1 Ų138.9 Ų38.91%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-120124.5164-63.6177.2000107.8L13 V14 L15 V16 F26 V118 C120 P160 F161 L164L13-I87 HydrophobicContact CD1-CD1 3.99Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.49Å; L13-I87 HydrophobicContact CD2-CD1 4.17Å; L13-I87 HydrophobicContact CD2-CG1 4.17Å; V14-I87 PolarHBondContact O-N 2.84Å; L15-I87 WeakPolarHBondContact CA-O 3.49Å; L15-I87 HydrophobicContact CD1-CB 3.72Å; L15-I87 HydrophobicContact CD1-CG2 3.58Å; V16-I87 PolarHBondContact N-O 3.5Å; F26-I87 HydrophobicContact CE1-CD1 4.32Å; I87-V118 CarbonylContact C-O 3.59Å; I87-V118 WeakPolarHBondContact CA-O 3.49Å; I87-V118 HydrophobicContact CG1-CB 4.4Å; I87-C120 HydrophobicContact CG2-CB 4.35Å; I87-P160 HydrophobicContact CD1-CB 3.9Å; I87-F161 HydrophobicContact CD1-CE1 4.4Å; I87-F161 HydrophobicContact CD1-CZ 4.44Å; I87-L164 HydrophobicContact CD1-CD1 4.15Å; I87-L164 HydrophobicContact CG1-CD1 3.86Å
88I98.1Very high96.7Very high0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-101.4121.4169.6-53.4177.4000107.4V16 V101 W104 H105 L108 I117 V118 L119 C120V16-I88 HydrophobicContact CG2-CB 4.24Å; V16-I88 HydrophobicContact CG2-CG1 3.73Å; V16-I88 HydrophobicContact CG2-CG2 4.33Å; I88-V101 HydrophobicContact CG2-CG1 4.21Å; I88-V101 HydrophobicContact CG2-CG2 4.29Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; I88-H105 HydrophobicContact CD1-CB 3.82Å; I88-L108 HydrophobicContact CD1-CD1 3.89Å; I88-L108 HydrophobicContact CG1-CD1 3.76Å; I88-I117 HydrophobicContact CD1-CG2 3.84Å; I88-I117 HydrophobicContact CG1-CG2 3.79Å; I88-V118 PolarHBondContact N-O 3.13Å; I88-L119 HydrophobicContact CB-CD1 4.05Å; I88-L119 HydrophobicContact CG2-CD1 4.06Å; I88-L119 CarbonylContact O-C 3.57Å; I88-L119 WeakPolarHBondContact O-CA 3.47Å; I88-C120 PolarHBondContact O-N 2.92Å
89M98.6Very high97.1Very high1 Ų145 Ų451%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-114.1131.9-177.9-172176.3-66.500111.8L15 V16 G17 K23 F26 C120 N122 I149L15-M89 HydrophobicContact CD1-CB 4.45Å; L15-M89 HydrophobicContact CD1-CE 4.34Å; V16-M89 PolarHBondContact O-N 3.48Å; G17-M89 WeakPolarHBondContact CA-O 3.43Å; K23-M89 HydrophobicContact CG-CB 4.1Å; K23-M89 HydrophobicContact CG-SD 4.21Å; F26-M89 HydrophobicContact CB-CE 3.8Å; F26-M89 HydrophobicContact CD1-CE 3.96Å; F26-M89 HydrophobicContact CD2-CE 4.14Å; F26-M89 HydrophobicContact CG-CE 3.71Å; M89-C120 WeakPolarHBondContact CA-O 3.18Å; M89-C120 HydrophobicContact CG-CB 4.4Å; M89-N122 HydrophobicContact CG-CB 4Å; M89-N122 HydrophobicContact SD-CB 3.91Å; M89-I149 HydrophobicContact CE-CD1 3.8Å
90F98.5Very high97.3Very high0 Ų045.6 Ų45.60%022%0.219CC..EExtended strand (participates in β ladder)trans-125.9168.9168.472.7-85.6000110.9V92 Y98 V101 L119 C120 G121 N122 V131 I136 Y146F90-V92 HydrophobicContact CE2-CG1 3.98Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; F90-Y98 AromaticContact CD1-CD2 3.89Å; F90-Y98 HydrophobicContact CD1-CD2 3.89Å; F90-Y98 AromaticContact CD2-CD2 3.9Å; F90-Y98 HydrophobicContact CD2-CD2 3.9Å; F90-Y98 HydrophobicContact CD2-CG 4.31Å; F90-Y98 AromaticContact CE1-CD2 3.73Å; F90-Y98 HydrophobicContact CE1-CD2 3.73Å; F90-Y98 HydrophobicContact CE1-CE2 4.09Å; F90-Y98 AromaticContact CE2-CD2 3.77Å; F90-Y98 HydrophobicContact CE2-CD2 3.77Å; F90-Y98 HydrophobicContact CE2-CG 4.28Å; F90-Y98 AromaticContact CG-CD2 3.97Å; F90-Y98 HydrophobicContact CG-CD2 3.97Å; F90-Y98 AromaticContact CZ-CD2 3.68Å; F90-Y98 HydrophobicContact CZ-CD2 3.68Å; F90-Y98 HydrophobicContact CZ-CE2 4.16Å; F90-V101 HydrophobicContact CB-CG2 4.03Å; F90-V101 HydrophobicContact CD1-CG2 4Å; F90-V101 HydrophobicContact CG-CG2 4.25Å; F90-L119 HydrophobicContact CD1-CD1 3.8Å; F90-L119 HydrophobicContact CD1-CG 4.31Å; F90-L119 HydrophobicContact CE1-CD1 3.96Å; F90-L119 HydrophobicContact CE1-CD2 4.3Å; F90-L119 HydrophobicContact CE1-CG 3.96Å; F90-C120 VanDerWaalsContact CD1-O 3.31Å; F90-C120 WeakPolarHBondContact CD1-O 3.32Å; F90-C120 PolarHBondContact N-O 3.42Å; F90-G121 VanDerWaalsContact CZ-CA 3.44Å; F90-N122 PolarHBondContact O-N 2.95Å; F90-V131 HydrophobicContact CE2-CB 4.29Å; F90-V131 HydrophobicContact CE2-CG1 4.02Å; F90-I136 HydrophobicContact CE2-CD1 4.45Å; F90-I136 HydrophobicContact CZ-CD1 3.86Å; F90-I136 HydrophobicContact CZ-CG1 4.35Å; F90-Y146 AromaticContact CE1-CE2 3.77Å; F90-Y146 HydrophobicContact CE1-CE2 3.77Å; F90-Y146 AromaticContact CZ-CE2 3.85Å; F90-Y146 HydrophobicContact CZ-CE2 3.85Å
91D98Very high97.5Very high11 Ų1145.5 Ų45.56%0.05922%0.219CC..EExtended strand (participates in β ladder)trans-102.9120179.4-177.7-18.5000109.7T21 T93 S94 T97 K123T21-D91 HydrophobicContact CG2-CB 4.34Å; D91-T93 PolarHBondContact O-N 3.24Å; D91-T93 VanDerWaalsContact O-N 3.1Å; D91-T93 WeakPolarHBondContact OD1-CA 3.27Å; D91-T93 WeakPolarHBondContact OD1-CB 3.47Å; D91-T93 PolarHBondContact OD1-N 3.19Å; D91-T93 PolarHBondContact OD1-OG1 3.04Å; D91-T93 PolarHBondContact OD2-OG1 2.98Å; D91-S94 PolarHBondContact O-N 3.35Å; D91-T97 HydrophobicContact CB-CG2 4.4Å; D91-T97 PolarHBondContact N-OG1 3.24Å; D91-T97 PolarHBondContact O-OG1 2.72Å; D91-K123 WeakPolarHBondContact OD2-CD 3.44Å; D91-K123 VanDerWaalsContact OD2-CE 3.23Å; D91-K123 WeakPolarHBondContact OD2-CE 3.45Å; D91-K123 IonicContact OD2-NZ 2.68Å; D91-K123 PolarHBondContact OD2-NZ 2.68Å
92V97.7Very high97.6Very high0 Ų043.5 Ų43.50%021%0.212CC..THydrogen-bonded Turntrans-65.8-15-178.3-55.90000113.3F90 N122 V124 R129 K130 V131F90-V92 HydrophobicContact CE2-CG1 3.98Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; V92-N122 WeakPolarHBondContact CG1-O 3.26Å; V92-N122 WeakPolarHBondContact CG2-O 3.43Å; V92-N122 PolarHBondContact N-O 3.14Å; V92-V124 HydrophobicContact CG1-CG1 4Å; V92-V124 HydrophobicContact CG2-CG1 4.09Å; V92-R129 HydrophobicContact CB-CG 4.08Å; V92-R129 HydrophobicContact CG2-CG 4.08Å; V92-K130 PolarHBondContact O-N 3.48Å; V92-V131 PolarHBondContact O-N 3.29Å
93T97.3Very high97.6Very high36 Ų3638.8 Ų38.822%0.22119%0.192CC..THydrogen-bonded Turntrans-88.8-7.3175.873.10000112.9D91 I126 K130D91-T93 PolarHBondContact O-N 3.24Å; D91-T93 VanDerWaalsContact O-N 3.1Å; D91-T93 WeakPolarHBondContact OD1-CA 3.27Å; D91-T93 WeakPolarHBondContact OD1-CB 3.47Å; D91-T93 PolarHBondContact OD1-N 3.19Å; D91-T93 PolarHBondContact OD1-OG1 3.04Å; D91-T93 PolarHBondContact OD2-OG1 2.98Å; T93-I126 HydrophobicContact CG2-CB 3.65Å; T93-I126 HydrophobicContact CG2-CD1 3.88Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.69Å; T93-K130 WeakPolarHBondContact O-CG 3.48Å
94S97.1Very high97.5Very high37 Ų3740.3 Ų40.326%0.25920%0.197SC..  trans-130.1102.5-176.1-173.90000112.2D91 V96 T97D91-S94 PolarHBondContact O-N 3.35Å; S94-V96 VanDerWaalsContact C-N 3.25Å; S94-V96 PolarHBondContact O-N 2.98Å; S94-V96 WeakPolarHBondContact OG-CG1 3.33Å; S94-T97 PolarHBondContact O-N 3.09Å; S94-T97 VanDerWaalsContact O-N 3.12Å; S94-T97 PolarHBondContact O-OG1 2.82Å
95R96.7Very high97.4Very high178 Ų17837.3 Ų37.367%0.67218%0.182SC*.Hα-helixtrans-57.5-35.3-177.1-64.7-172.1179.11693.2113.6T97 Y98 K99 K130 V131R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 2.75Å; R95-Y98 PolarHBondContact O-N 2.97Å; R95-K99 PolarHBondContact O-N 3.48Å; R95-K130 HydrophobicContact CG-CB 3.81Å; R95-K130 PolarHBondContact NE-O 2.86Å; R95-V131 HydrophobicContact CB-CG2 4.49Å; R95-V131 HydrophobicContact CG-CG2 4.19Å
96V97.2Very high97.2Very high83 Ų8342.6 Ų42.650%0.50320%0.202SC..Hα-helixtrans-60.9-38.1-179.762.90000111.4S94 Y98 K99 N100S94-V96 VanDerWaalsContact C-N 3.25Å; S94-V96 PolarHBondContact O-N 2.98Å; S94-V96 WeakPolarHBondContact OG-CG1 3.33Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.38Å; V96-K99 WeakPolarHBondContact O-CB 3.02Å; V96-K99 PolarHBondContact O-N 2.99Å; V96-K99 VanDerWaalsContact O-N 3.15Å; V96-N100 PolarHBondContact O-N 3.45Å; V96-N100 PolarHBondContact O-ND2 2.9Å
97T97.7Very high97Very high10 Ų1044 Ų446%0.06121%0.21CC..Hα-helixtrans-66.7-33.1-179.8690000112.1D18 T21 D91 S94 R95D18-T97 HydrophobicContact CB-CG2 3.83Å; D18-T97 WeakPolarHBondContact OD2-CA 3.35Å; T21-T97 HydrophobicContact CG2-CG2 3.93Å; D91-T97 HydrophobicContact CB-CG2 4.4Å; D91-T97 PolarHBondContact N-OG1 3.24Å; D91-T97 PolarHBondContact O-OG1 2.72Å; S94-T97 PolarHBondContact O-N 3.09Å; S94-T97 VanDerWaalsContact O-N 3.12Å; S94-T97 PolarHBondContact O-OG1 2.82Å; R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 2.75Å
98Y97.9Very high96.8Very high35 Ų3543.9 Ų43.914%0.13721%0.21CC..Hα-helixtrans-72.9-40.7172.4-174.2-111.8000111.9F90 R95 V96 N100 V101 L119 V131 S135 I136 V137 F138F90-Y98 AromaticContact CD1-CD2 3.89Å; F90-Y98 HydrophobicContact CD1-CD2 3.89Å; F90-Y98 AromaticContact CD2-CD2 3.9Å; F90-Y98 HydrophobicContact CD2-CD2 3.9Å; F90-Y98 HydrophobicContact CD2-CG 4.31Å; F90-Y98 AromaticContact CE1-CD2 3.73Å; F90-Y98 HydrophobicContact CE1-CD2 3.73Å; F90-Y98 HydrophobicContact CE1-CE2 4.09Å; F90-Y98 AromaticContact CE2-CD2 3.77Å; F90-Y98 HydrophobicContact CE2-CD2 3.77Å; F90-Y98 HydrophobicContact CE2-CG 4.28Å; F90-Y98 AromaticContact CG-CD2 3.97Å; F90-Y98 HydrophobicContact CG-CD2 3.97Å; F90-Y98 AromaticContact CZ-CD2 3.68Å; F90-Y98 HydrophobicContact CZ-CD2 3.68Å; F90-Y98 HydrophobicContact CZ-CE2 4.16Å; R95-Y98 PolarHBondContact O-N 2.97Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.38Å; Y98-N100 PolarHBondContact O-N 3.03Å; Y98-V101 HydrophobicContact CD2-CG2 4.07Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.43Å; Y98-V101 WeakPolarHBondContact O-CG2 3.48Å; Y98-V101 PolarHBondContact O-N 2.91Å; Y98-L119 HydrophobicContact CE2-CD2 4.31Å; Y98-V131 HydrophobicContact CD1-CG1 3.97Å; Y98-V131 HydrophobicContact CD2-CG1 4.36Å; Y98-V131 HydrophobicContact CG-CG1 3.86Å; Y98-S135 WeakPolarHBondContact CE1-O 3.05Å; Y98-I136 HydrophobicContact CE2-CB 4.4Å; Y98-I136 HydrophobicContact CE2-CG1 4.3Å; Y98-I136 HydrophobicContact CE2-CG2 3.84Å; Y98-I136 VanDerWaalsContact OH-CA 3.26Å; Y98-I136 WeakPolarHBondContact OH-CA 3.43Å; Y98-V137 PolarHBondContact OH-N 3.37Å; Y98-F138 VanDerWaalsContact OH-CB 3.28Å; Y98-F138 WeakPolarHBondContact OH-CB 3.05Å; Y98-F138 PolarHBondContact OH-N 2.97Å; Y98-F138 VanDerWaalsContact OH-N 3.17Å
99K97.1Very high96.7Very high167 Ų16746.2 Ų46.273%0.72622%0.224SC*.Hα-helixtrans-59.3-27.6175.7-170.9175.8179.9177.60112.5R95 V96 P102R95-K99 PolarHBondContact O-N 3.48Å; V96-K99 WeakPolarHBondContact O-CB 3.02Å; V96-K99 PolarHBondContact O-N 2.99Å; V96-K99 VanDerWaalsContact O-N 3.15Å; K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.31Å
100N97Very high96.5Very high45 Ų4554.1 Ų54.124%0.24125%0.253CS..THydrogen-bonded Turntrans-85.4-11.4178.1-71.2-21.1000114.4D18 V96 Y98 P102 N103 W104D18-N100 WeakPolarHBondContact OD1-CB 3.16Å; D18-N100 PolarHBondContact OD2-ND2 3.14Å; V96-N100 PolarHBondContact O-N 3.45Å; V96-N100 PolarHBondContact O-ND2 2.9Å; Y98-N100 PolarHBondContact O-N 3.03Å; N100-P102 VanDerWaalsContact C-CD 3.45Å; N100-P102 VanDerWaalsContact C-N 3.35Å; N100-N103 WeakPolarHBondContact O-CB 2.77Å; N100-N103 PolarHBondContact O-N 2.85Å; N100-W104 VanDerWaalsContact O-CD1 3.25Å; N100-W104 PolarHBondContact O-N 2.81Å
101V97.3Very high96.3Very high1 Ų156.6 Ų56.61%0.00627%0.268CS..Hα-helixtrans-52.2-43.5178167.80000113.3I88 F90 Y98 N103 W104 H105 L119 F138I88-V101 HydrophobicContact CG2-CG1 4.21Å; I88-V101 HydrophobicContact CG2-CG2 4.29Å; F90-V101 HydrophobicContact CB-CG2 4.03Å; F90-V101 HydrophobicContact CD1-CG2 4Å; F90-V101 HydrophobicContact CG-CG2 4.25Å; Y98-V101 HydrophobicContact CD2-CG2 4.07Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.43Å; Y98-V101 WeakPolarHBondContact O-CG2 3.48Å; Y98-V101 PolarHBondContact O-N 2.91Å; V101-N103 PolarHBondContact O-N 3.17Å; V101-W104 PolarHBondContact O-N 3.08Å; V101-H105 WeakPolarHBondContact O-CB 3.46Å; V101-H105 PolarHBondContact O-N 3.25Å; V101-L119 HydrophobicContact CB-CD1 4.47Å; V101-L119 HydrophobicContact CG1-CD1 3.63Å; V101-L119 HydrophobicContact CG1-CD2 4.42Å; V101-L119 HydrophobicContact CG2-CD1 3.93Å; V101-F138 HydrophobicContact CG1-CD1 3.51Å; V101-F138 HydrophobicContact CG1-CE1 3.75Å; V101-F138 HydrophobicContact CG1-CG 4.13Å
102P97Very high96.2Very high54 Ų5456.6 Ų56.635%0.35127%0.269SS..Hα-helixtrans-58.1-34.3176.2-25.135000114K99 N100 R106 F138K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.31Å; N100-P102 VanDerWaalsContact C-CD 3.45Å; N100-P102 VanDerWaalsContact C-N 3.35Å; P102-R106 VanDerWaalsContact O-CB 3.27Å; P102-R106 WeakPolarHBondContact O-CB 3.37Å; P102-R106 PolarHBondContact O-N 2.88Å; P102-F138 HydrophobicContact CB-CD2 4.45Å; P102-F138 HydrophobicContact CB-CE2 3.73Å; P102-F138 HydrophobicContact CB-CZ 4.17Å; P102-F138 HydrophobicContact CG-CD2 3.89Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.37Å
103N95.2Very high95.8Very high65 Ų6564.1 Ų64.135%0.34830%0.304SS..Hα-helixtrans-67.7-50.9177.4-65.6-36.1000110.5N100 V101 H105 R106 D107N100-N103 WeakPolarHBondContact O-CB 2.77Å; N100-N103 PolarHBondContact O-N 2.85Å; V101-N103 PolarHBondContact O-N 3.17Å; N103-H105 VanDerWaalsContact C-N 3.28Å; N103-H105 PolarHBondContact O-N 2.79Å; N103-R106 WeakPolarHBondContact O-CB 3.48Å; N103-R106 PolarHBondContact O-N 2.86Å; N103-R106 VanDerWaalsContact O-N 3.16Å; N103-R106 PolarHBondContact OD1-NH1 3.11Å; N103-R106 PolarHBondContact OD1-NH2 2.91Å; N103-D107 PolarHBondContact O-N 2.84Å
104W95.6Very high95.5Very high40 Ų4070.1 Ų70.115%0.15234%0.335CS..Hα-helixtrans-57.5-42176.3-68.4108.5000112.5V16 G17 D18 I88 N100 V101 L108V16-W104 HydrophobicContact CB-CD2 4.43Å; V16-W104 HydrophobicContact CB-CE3 3.83Å; V16-W104 HydrophobicContact CB-CZ3 4.29Å; V16-W104 HydrophobicContact CG2-CB 4.21Å; V16-W104 HydrophobicContact CG2-CE3 4.33Å; G17-W104 VanDerWaalsContact C-CE2 3.43Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.26Å; D18-W104 PolarHBondContact OD1-NE1 3Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; N100-W104 VanDerWaalsContact O-CD1 3.25Å; N100-W104 PolarHBondContact O-N 2.81Å; V101-W104 PolarHBondContact O-N 3.08Å; W104-L108 WeakPolarHBondContact O-CB 3.31Å; W104-L108 WeakPolarHBondContact O-CG 3.44Å; W104-L108 PolarHBondContact O-N 3.23Å
105H96.1Very high95.5Very high19 Ų1969.7 Ų69.79%0.08833%0.33CS..Hα-helixtrans-64.2-47.2176.1175-82.5000111.8I88 V101 N103 D107 L108 V109 F138I88-H105 HydrophobicContact CD1-CB 3.82Å; V101-H105 WeakPolarHBondContact O-CB 3.46Å; V101-H105 PolarHBondContact O-N 3.25Å; N103-H105 VanDerWaalsContact C-N 3.28Å; N103-H105 PolarHBondContact O-N 2.79Å; H105-D107 VanDerWaalsContact C-N 3.29Å; H105-D107 PolarHBondContact O-N 3.46Å; H105-L108 WeakPolarHBondContact O-CB 3.31Å; H105-L108 PolarHBondContact O-N 3.02Å; H105-V109 VanDerWaalsContact CE1-CG1 3.46Å; H105-V109 WeakPolarHBondContact CE1-CG1 3.47Å; H105-V109 WeakPolarHBondContact O-CG2 3.17Å; H105-V109 PolarHBondContact O-N 3.43Å; H105-F138 HydrophobicContact CB-CE1 3.67Å; H105-F138 HydrophobicContact CB-CZ 3.63Å; H105-F138 AromaticContact CD2-CE1 3.94Å; H105-F138 AromaticContact CG-CE1 3.72Å; H105-F138 AromaticContact CG-CZ 3.65Å; H105-F138 AromaticContact ND1-CZ 3.96Å
106R94.5Very high95.5Very high111 Ų11162.7 Ų62.742%0.41931%0.307SS..Hα-helixtrans-56.3-45.2178.7178-167.163.3-133.1-9.8111.2P102 N103 V109 R110P102-R106 VanDerWaalsContact O-CB 3.27Å; P102-R106 WeakPolarHBondContact O-CB 3.37Å; P102-R106 PolarHBondContact O-N 2.88Å; N103-R106 WeakPolarHBondContact O-CB 3.48Å; N103-R106 PolarHBondContact O-N 2.86Å; N103-R106 VanDerWaalsContact O-N 3.16Å; N103-R106 PolarHBondContact OD1-NH1 3.11Å; N103-R106 PolarHBondContact OD1-NH2 2.91Å; R106-V109 WeakPolarHBondContact O-CG2 3.31Å; R106-R110 WeakPolarHBondContact O-CB 3.22Å; R106-R110 PolarHBondContact O-N 2.93Å; R106-R110 VanDerWaalsContact O-N 3.09Å
107D93.8Very high95.6Very high29 Ų2959 Ų5916%0.15528%0.284CS..Hα-helixtrans-71.6-35.1-176.6-57.5-14.5000110.6Y80 N103 H105Y80-D107 HydrophobicContact CE2-CB 4.25Å; N103-D107 PolarHBondContact O-N 2.84Å; H105-D107 VanDerWaalsContact C-N 3.29Å; H105-D107 PolarHBondContact O-N 3.46Å
108L95.1Very high95.6Very high0 Ų058.5 Ų58.50%028%0.282CS..Hα-helixtrans-61.3-54.2170.5-85.5171.5000112.9V14 V16 Y80 A86 I88 W104 H105 R110 V111 C112 I117V14-L108 HydrophobicContact CG2-CD2 3.49Å; V14-L108 VanDerWaalsContact CG2-CD2 3.49Å; V16-L108 HydrophobicContact CG1-CD2 4.48Å; V16-L108 HydrophobicContact CG2-CD1 3.62Å; V16-L108 HydrophobicContact CG2-CG 4.31Å; Y80-L108 HydrophobicContact CD1-CD2 4.05Å; Y80-L108 HydrophobicContact CD2-CD2 3.93Å; Y80-L108 HydrophobicContact CD2-CG 4.4Å; Y80-L108 HydrophobicContact CE1-CD2 4.4Å; Y80-L108 HydrophobicContact CE2-CD2 4.27Å; Y80-L108 HydrophobicContact CE2-CG 4.39Å; Y80-L108 HydrophobicContact CG-CD2 3.84Å; A86-L108 HydrophobicContact CB-CD1 3.76Å; A86-L108 HydrophobicContact CB-CD2 4.12Å; I88-L108 HydrophobicContact CD1-CD1 3.89Å; I88-L108 HydrophobicContact CG1-CD1 3.76Å; W104-L108 WeakPolarHBondContact O-CB 3.31Å; W104-L108 WeakPolarHBondContact O-CG 3.44Å; W104-L108 PolarHBondContact O-N 3.23Å; H105-L108 WeakPolarHBondContact O-CB 3.31Å; H105-L108 PolarHBondContact O-N 3.02Å; L108-R110 PolarHBondContact O-N 3.28Å; L108-V111 PolarHBondContact O-N 2.63Å; L108-C112 PolarHBondContact O-N 3.19Å; L108-I117 HydrophobicContact CD1-CD1 4.43Å
109V94.8Very high95.7Very high49 Ų4956.8 Ų56.830%0.29728%0.275SS..Hα-helixtrans-69.2-21.4-175.3-59.80000112.9H105 R106 V111 I117H105-V109 VanDerWaalsContact CE1-CG1 3.46Å; H105-V109 WeakPolarHBondContact CE1-CG1 3.47Å; H105-V109 WeakPolarHBondContact O-CG2 3.17Å; H105-V109 PolarHBondContact O-N 3.43Å; R106-V109 WeakPolarHBondContact O-CG2 3.31Å; V109-V111 VanDerWaalsContact C-N 3.25Å; V109-V111 PolarHBondContact O-N 3.06Å; V109-I117 HydrophobicContact CG1-CD1 4.43Å
110R94.3Very high95.7Very high166 Ų16648.9 Ų48.963%0.62624%0.24SC*.Hα-helixtrans-63.5-31.8171-179.8-176.5-72170.8-3.6112.2R106 L108R106-R110 WeakPolarHBondContact O-CB 3.22Å; R106-R110 PolarHBondContact O-N 2.93Å; R106-R110 VanDerWaalsContact O-N 3.09Å; L108-R110 PolarHBondContact O-N 3.28Å
111V95.5Very high95.8Very high52 Ų5246.7 Ų46.732%0.31523%0.229SC..Hα-helixtrans-99.4-40.3-177.9-175.80000111.9D77 Y80 I81 L108 V109D77-V111 HydrophobicContact CB-CG2 3.99Å; Y80-V111 HydrophobicContact CD2-CB 4.47Å; Y80-V111 HydrophobicContact CD2-CG2 4.14Å; I81-V111 HydrophobicContact CG1-CG1 3.95Å; L108-V111 PolarHBondContact O-N 2.63Å; V109-V111 VanDerWaalsContact C-N 3.25Å; V109-V111 PolarHBondContact O-N 3.06Å
112C94.2Very high95.8Very high12 Ų1246.8 Ų46.88%0.08123%0.229CC..SBendtrans-127.495-178.1-65.20000110Y80 L108 I115Y80-C112 PolarHBondContact O-SG 3.27Å; L108-C112 PolarHBondContact O-N 3.19Å; C112-I115 HydrophobicContact CB-CD1 3.8Å; C112-I115 HydrophobicContact CB-CG1 4.13Å; C112-I115 HydrophobicContact CB-CG2 3.89Å
113E90.2Very high95.8Very high157 Ų15746.8 Ų46.873%0.73422%0.224SC*.THydrogen-bonded Turntrans-68.6140.2173.2-67.6-175171.200110.8I115E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 3.29Å
114N91Very high95.9Very high162 Ų16243.7 Ų43.787%0.86621%0.207SC*.THydrogen-bonded Turntrans60.224.1169.8-60.3-34000117.4
115I96.8Very high95.8Very high28 Ų2843.3 Ų43.314%0.14421%0.208CC..  trans-76.4146.7169.661.5169.7000111.3A83 A86 C112 E113 I117A83-I115 HydrophobicContact CB-CD1 4.31Å; A83-I115 WeakPolarHBondContact O-CG2 3.34Å; A86-I115 HydrophobicContact CB-CD1 3.99Å; C112-I115 HydrophobicContact CB-CD1 3.8Å; C112-I115 HydrophobicContact CB-CG1 4.13Å; C112-I115 HydrophobicContact CB-CG2 3.89Å; E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 3.29Å; I115-I117 HydrophobicContact CD1-CG1 4.49Å; I115-I117 HydrophobicContact CG1-CD1 4.34Å; I115-I117 HydrophobicContact CG1-CG1 4.03Å; I115-I117 WeakPolarHBondContact O-CG1 3.46Å; I115-I117 PolarHBondContact O-N 3Å
116P97.9Very high95.7Very high31 Ų3145.7 Ų45.720%0.20122%0.221CC..  trans-63.5127.617024.7-33.7000110.7Q84 C85 A86 W163 L164 K167 L168Q84-P116 WeakPolarHBondContact O-CD 3.49Å; C85-P116 WeakPolarHBondContact CA-O 3.41Å; C85-P116 HydrophobicContact CB-CG 3.99Å; C85-P116 WeakPolarHBondContact CB-O 3.47Å; A86-P116 PolarHBondContact N-O 3.32Å; P116-W163 HydrophobicContact CB-CH2 4.15Å; P116-W163 HydrophobicContact CB-CZ3 3.76Å; P116-L164 HydrophobicContact CB-CD2 3.95Å; P116-L164 HydrophobicContact CG-CD2 4.28Å; P116-K167 HydrophobicContact CB-CB 4.07Å; P116-K167 HydrophobicContact CG-CB 4.43Å; P116-L168 HydrophobicContact CG-CD2 3.79Å; P116-L168 HydrophobicContact CG-CG 4.1Å
117I98.4Very high95.4Very high5 Ų549.5 Ų49.53%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-124.3134179.9-50.9178.8000109.8A86 I88 L108 V109 I115 L144 Q145A86-I117 HydrophobicContact CB-CG1 4.1Å; A86-I117 HydrophobicContact CB-CG2 4.21Å; A86-I117 WeakPolarHBondContact O-CA 3.49Å; I88-I117 HydrophobicContact CD1-CG2 3.84Å; I88-I117 HydrophobicContact CG1-CG2 3.79Å; L108-I117 HydrophobicContact CD1-CD1 4.43Å; V109-I117 HydrophobicContact CG1-CD1 4.43Å; I115-I117 HydrophobicContact CD1-CG1 4.49Å; I115-I117 HydrophobicContact CG1-CD1 4.34Å; I115-I117 HydrophobicContact CG1-CG1 4.03Å; I115-I117 WeakPolarHBondContact O-CG1 3.46Å; I115-I117 PolarHBondContact O-N 3Å; I117-L144 HydrophobicContact CB-CD2 3.95Å; I117-L144 HydrophobicContact CD1-CD2 4.46Å; I117-L144 HydrophobicContact CG2-CD1 4.34Å; I117-Q145 PolarHBondContact O-N 2.71Å
118V98.6Very high95.4Very high0 Ų052.7 Ų52.70%026%0.258CS..EExtended strand (participates in β ladder)trans-107130.7169.8-176.10000109.7A86 I87 I88 Q145 Y147 P160 W163 L164A86-V118 PolarHBondContact O-N 3Å; I87-V118 CarbonylContact C-O 3.59Å; I87-V118 WeakPolarHBondContact CA-O 3.49Å; I87-V118 HydrophobicContact CG1-CB 4.4Å; I88-V118 PolarHBondContact N-O 3.13Å; V118-Q145 CarbonylContact C-O 3.58Å; V118-Q145 WeakPolarHBondContact CA-O 3.48Å; V118-Q145 HydrophobicContact CG2-CB 4.31Å; V118-Y147 HydrophobicContact CG1-CD2 3.78Å; V118-Y147 HydrophobicContact CG1-CE2 4.31Å; V118-P160 HydrophobicContact CB-CB 4.42Å; V118-P160 HydrophobicContact CG1-CB 3.96Å; V118-P160 HydrophobicContact CG1-CG 4.35Å; V118-W163 HydrophobicContact CG2-CD2 4.23Å; V118-W163 HydrophobicContact CG2-CE3 3.39Å; V118-W163 HydrophobicContact CG2-CZ3 3.81Å; V118-L164 HydrophobicContact CG2-CD1 4.21Å; V118-L164 HydrophobicContact CG2-CD2 3.83Å; V118-L164 HydrophobicContact CG2-CG 3.69Å
119L98.4Very high95.4Very high0 Ų053.1 Ų53.10%026%0.259CS..EExtended strand (participates in β ladder)trans-95.1122.4170.2-178.864.2000109.5I88 F90 Y98 V101 I136 H139 Q145 Y146 Y147I88-L119 HydrophobicContact CB-CD1 4.05Å; I88-L119 HydrophobicContact CG2-CD1 4.06Å; I88-L119 CarbonylContact O-C 3.57Å; I88-L119 WeakPolarHBondContact O-CA 3.47Å; F90-L119 HydrophobicContact CD1-CD1 3.8Å; F90-L119 HydrophobicContact CD1-CG 4.31Å; F90-L119 HydrophobicContact CE1-CD1 3.96Å; F90-L119 HydrophobicContact CE1-CD2 4.3Å; F90-L119 HydrophobicContact CE1-CG 3.96Å; Y98-L119 HydrophobicContact CE2-CD2 4.31Å; V101-L119 HydrophobicContact CB-CD1 4.47Å; V101-L119 HydrophobicContact CG1-CD1 3.63Å; V101-L119 HydrophobicContact CG1-CD2 4.42Å; V101-L119 HydrophobicContact CG2-CD1 3.93Å; L119-I136 HydrophobicContact CD2-CG2 4.25Å; L119-H139 HydrophobicContact CD2-CB 4.17Å; L119-Q145 PolarHBondContact N-O 2.99Å; L119-Y146 HydrophobicContact CB-CD2 4.09Å; L119-Y146 HydrophobicContact CD2-CD2 3.9Å; L119-Y146 HydrophobicContact CD2-CE2 4.46Å; L119-Y146 HydrophobicContact CG-CD2 3.83Å; L119-Y146 HydrophobicContact CG-CE2 4.3Å; L119-Y146 WeakPolarHBondContact O-CA 3.38Å; L119-Y146 VanDerWaalsContact O-CD2 3.26Å; L119-Y146 WeakPolarHBondContact O-CD2 3.37Å; L119-Y147 PolarHBondContact O-N 3.21Å
120C98.5Very high95.4Very high0 Ų054.7 Ų54.70%026%0.262CS..EExtended strand (participates in β ladder)trans-114.5120.5-178.6-69.40000111.4I87 I88 M89 F90 Y147 I149 P160I87-C120 HydrophobicContact CG2-CB 4.35Å; I88-C120 PolarHBondContact O-N 2.92Å; M89-C120 WeakPolarHBondContact CA-O 3.18Å; M89-C120 HydrophobicContact CG-CB 4.4Å; F90-C120 VanDerWaalsContact CD1-O 3.31Å; F90-C120 WeakPolarHBondContact CD1-O 3.32Å; F90-C120 PolarHBondContact N-O 3.42Å; C120-Y147 WeakPolarHBondContact CA-O 3.42Å; C120-I149 HydrophobicContact CB-CD1 3.78Å; C120-I149 HydrophobicContact CB-CG1 4.19Å; C120-P160 VanDerWaalsContact SG-CG 3.52Å
121G98.3Very high95.5Very high0 Ų046.9 Ų46.90%023%0.233CC..EExtended strand (participates in β ladder)trans-89.2101.6165.400000109.9F90 Y147 I149F90-G121 VanDerWaalsContact CZ-CA 3.44Å; G121-Y147 PolarHBondContact N-O 3.36Å; G121-I149 PolarHBondContact O-N 3.19Å
122N98.2Very high95.3Very high3 Ų349.2 Ų49.22%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-88.9164.4-177.3-169.428.1000112.5T21 M89 F90 V92 I149 A151T21-N122 PolarHBondContact O-ND2 2.82Å; M89-N122 HydrophobicContact CG-CB 4Å; M89-N122 HydrophobicContact SD-CB 3.91Å; F90-N122 PolarHBondContact O-N 2.95Å; V92-N122 WeakPolarHBondContact CG1-O 3.26Å; V92-N122 WeakPolarHBondContact CG2-O 3.43Å; V92-N122 PolarHBondContact N-O 3.14Å; N122-I149 CarbonylContact C-O 3.54Å; N122-I149 WeakPolarHBondContact CA-O 3.36Å; N122-I149 HydrophobicContact CB-CD1 4.26Å; N122-I149 HydrophobicContact CB-CG1 3.97Å; N122-I149 PolarHBondContact OD1-O 3.46Å; N122-A151 PolarHBondContact OD1-N 2.93Å; N122-A151 VanDerWaalsContact OD1-N 3.17Å
123K96.6Very high95.1Very high53 Ų5348.8 Ų48.823%0.2324%0.236CC..  trans70.633.5176.5-45.3-170.2-166.3166.40114.6G20 D91 D125 I126 I149G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 3.04Å; D91-K123 WeakPolarHBondContact OD2-CD 3.44Å; D91-K123 VanDerWaalsContact OD2-CE 3.23Å; D91-K123 WeakPolarHBondContact OD2-CE 3.45Å; D91-K123 IonicContact OD2-NZ 2.68Å; D91-K123 PolarHBondContact OD2-NZ 2.68Å; K123-D125 WeakPolarHBondContact CA-OD1 3.34Å; K123-D125 PolarHBondContact O-N 2.8Å; K123-I126 HydrophobicContact CB-CD1 3.92Å; K123-I126 HydrophobicContact CB-CG1 4.31Å; K123-I126 HydrophobicContact CD-CD1 4.09Å; K123-I126 WeakPolarHBondContact O-CB 3.3Å; K123-I126 PolarHBondContact O-N 2.91Å; K123-I126 VanDerWaalsContact O-N 3.07Å; K123-I149 PolarHBondContact N-O 2.74Å
124V96.1Very high94.9Very high0 Ų049.5 Ų49.50%024%0.237CC..THydrogen-bonded Turntrans-67.1-11.5176.4-570000114V92 I126 D148 I149 Y155 M189 Y197V92-V124 HydrophobicContact CG1-CG1 4Å; V92-V124 HydrophobicContact CG2-CG1 4.09Å; V124-I126 PolarHBondContact O-N 2.47Å; V124-D148 HydrophobicContact CG1-CB 3.85Å; V124-I149 WeakPolarHBondContact CG2-O 3.38Å; V124-I149 PolarHBondContact N-O 3.16Å; V124-Y155 HydrophobicContact CG2-CD1 3.7Å; V124-Y155 HydrophobicContact CG2-CE1 4.29Å; V124-M189 HydrophobicContact CG2-CE 4.37Å; V124-Y197 HydrophobicContact CB-CD2 4.41Å; V124-Y197 HydrophobicContact CB-CE2 4Å; V124-Y197 PolarHBondContact O-OH 3.28Å
125D94.3Very high94.9Very high32 Ų3244.4 Ų44.417%0.17121%0.214CC..THydrogen-bonded Turntrans-67.1-16.6169.758.7-71.8000113.2K123 S150 K152 M189K123-D125 WeakPolarHBondContact CA-OD1 3.34Å; K123-D125 PolarHBondContact O-N 2.8Å; D125-S150 VanDerWaalsContact CG-OG 3.24Å; D125-S150 WeakPolarHBondContact OD1-CB 3.48Å; D125-S150 PolarHBondContact OD1-OG 2.94Å; D125-K152 WeakPolarHBondContact OD2-CD 3.38Å; D125-M189 HydrophobicContact CB-SD 4.04Å
126I94Very high94.7Very high69 Ų6943.1 Ų43.135%0.35421%0.208SC..SBendtrans-86.7121.2177.2-56.6178.1000109.7T93 K123 V124 D128T93-I126 HydrophobicContact CG2-CB 3.65Å; T93-I126 HydrophobicContact CG2-CD1 3.88Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.69Å; K123-I126 HydrophobicContact CB-CD1 3.92Å; K123-I126 HydrophobicContact CB-CG1 4.31Å; K123-I126 HydrophobicContact CD-CD1 4.09Å; K123-I126 WeakPolarHBondContact O-CB 3.3Å; K123-I126 PolarHBondContact O-N 2.91Å; K123-I126 VanDerWaalsContact O-N 3.07Å; V124-I126 PolarHBondContact O-N 2.47Å; I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.97Å
127K89.1Confident94.5Very high191 Ų19143.2 Ų43.283%0.8321%0.207SC*.SBendtrans-58.2-36.6-177.8-71.1-174.6177-176.80113.9R129K127-R129 PolarHBondContact O-N 2.83Å
128D92.8Very high94.3Very high97 Ų9744 Ų4452%0.51921%0.211SC..  trans-79.957.4-176.9-170.127.9000112.9I126 K130I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.97Å; D128-K130 PolarHBondContact O-N 2.93Å; D128-K130 WeakPolarHBondContact OD1-CE 3.5Å; D128-K130 IonicContact OD1-NZ 2.7Å; D128-K130 WeakPolarHBondContact OD2-CE 3.14Å; D128-K130 IonicContact OD2-NZ 3.63Å; D128-K130 PolarHBondContact OD2-NZ 2.92Å
129R94.9Very high94Very high8 Ų844.7 Ų44.73%0.0321%0.214CC..  trans-68.1116.2178.4-179.9173.7-174.7157.59.6111.1V92 K127 V131 K132 D148V92-R129 HydrophobicContact CB-CG 4.08Å; V92-R129 HydrophobicContact CG2-CG 4.08Å; K127-R129 PolarHBondContact O-N 2.83Å; R129-V131 WeakPolarHBondContact CG-O 3Å; R129-V131 PolarHBondContact NE-O 2.7Å; R129-K132 HydrophobicContact CG-CD 4.34Å; R129-K132 WeakPolarHBondContact O-CE 3.2Å; R129-K132 PolarHBondContact O-NZ 3.18Å; R129-D148 IonicContact CZ-OD1 3.39Å; R129-D148 IonicContact CZ-OD2 3.05Å; R129-D148 IonicContact NH1-OD1 3.17Å; R129-D148 IonicContact NH1-OD2 3.87Å; R129-D148 PolarHBondContact NH1-OD2 2.86Å; R129-D148 IonicContact NH2-OD1 2.76Å; R129-D148 PolarHBondContact NH2-OD1 3.36Å; R129-D148 IonicContact NH2-OD2 3.3Å; R129-D148 PolarHBondContact NH2-OD2 3.47Å; R129-D148 VanDerWaalsContact NH2-OD2 3.16Å
130K96Very high93.6Very high82 Ų8248.4 Ų48.436%0.35723%0.228SC..SBendtrans-91.8-25.1-179.8-60.4-67.5154.7780114.4V92 T93 R95 D128V92-K130 PolarHBondContact O-N 3.48Å; T93-K130 WeakPolarHBondContact O-CG 3.48Å; R95-K130 HydrophobicContact CG-CB 3.81Å; R95-K130 PolarHBondContact NE-O 2.86Å; D128-K130 PolarHBondContact O-N 2.93Å; D128-K130 WeakPolarHBondContact OD1-CE 3.5Å; D128-K130 IonicContact OD1-NZ 2.7Å; D128-K130 WeakPolarHBondContact OD2-CE 3.14Å; D128-K130 IonicContact OD2-NZ 3.63Å; D128-K130 PolarHBondContact OD2-NZ 2.92Å
131V95.2Very high93.3Very high3 Ų352.7 Ų52.72%0.01825%0.247CC..SBendtrans-108.6100.6177.3-173.70000108.4F90 V92 R95 Y98 R129 I136F90-V131 HydrophobicContact CE2-CB 4.29Å; F90-V131 HydrophobicContact CE2-CG1 4.02Å; V92-V131 PolarHBondContact O-N 3.29Å; R95-V131 HydrophobicContact CB-CG2 4.49Å; R95-V131 HydrophobicContact CG-CG2 4.19Å; Y98-V131 HydrophobicContact CD1-CG1 3.97Å; Y98-V131 HydrophobicContact CD2-CG1 4.36Å; Y98-V131 HydrophobicContact CG-CG1 3.86Å; R129-V131 WeakPolarHBondContact CG-O 3Å; R129-V131 PolarHBondContact NE-O 2.7Å; V131-I136 HydrophobicContact CG1-CD1 4.01Å; V131-I136 HydrophobicContact CG1-CG1 3.67Å
132K92Very high93Very high100 Ų10058.1 Ų58.144%0.43527%0.27SS..  trans-81.5152.9-177.5-61-64.5-175-179.60110.7R129 K134 S135R129-K132 HydrophobicContact CG-CD 4.34Å; R129-K132 WeakPolarHBondContact O-CE 3.2Å; R129-K132 PolarHBondContact O-NZ 3.18Å; K132-K134 HydrophobicContact CB-CG 4.1Å; K132-K134 PolarHBondContact O-N 2.96Å; K132-K134 VanDerWaalsContact O-N 3.13Å; K132-S135 PolarHBondContact N-OG 3.22Å; K132-S135 PolarHBondContact O-N 3.43Å; K132-S135 PolarHBondContact O-OG 2.95Å
133A88.8Confident92.7Very high4 Ų465.1 Ų65.13%0.03331%0.308CS..G310 helixtrans-46.3-46.4179.300000113.3S135 I136 D200 L201 A204A133-S135 PolarHBondContact O-N 3.29Å; A133-S135 VanDerWaalsContact O-N 3.11Å; A133-I136 WeakPolarHBondContact O-CB 3.45Å; A133-I136 PolarHBondContact O-N 2.87Å; A133-D200 HydrophobicContact CB-CB 3.87Å; A133-L201 HydrophobicContact CB-CD2 3.74Å; A133-L201 HydrophobicContact CB-CG 4.13Å; A133-A204 HydrophobicContact CB-CB 4.46Å
134K87.9Confident92.6Very high171 Ų17163.5 Ų63.574%0.74330%0.301SS*.G310 helixtrans-56.4-26.3176.665.3177.8-178.4176.50115.9K132 I136K132-K134 HydrophobicContact CB-CG 4.1Å; K132-K134 PolarHBondContact O-N 2.96Å; K132-K134 VanDerWaalsContact O-N 3.13Å; K134-I136 VanDerWaalsContact C-N 3.34Å
135S90.9Very high92.6Very high55 Ų5565.8 Ų65.839%0.38531%0.312SS..G310 helixtrans-84.2-11.317757.20000113.1Y98 K132 A133 V137Y98-S135 WeakPolarHBondContact CE1-O 3.05Å; K132-S135 PolarHBondContact N-OG 3.22Å; K132-S135 PolarHBondContact O-N 3.43Å; K132-S135 PolarHBondContact O-OG 2.95Å; A133-S135 PolarHBondContact O-N 3.29Å; A133-S135 VanDerWaalsContact O-N 3.11Å; S135-V137 PolarHBondContact O-N 2.85Å; S135-V137 VanDerWaalsContact O-N 3.14Å
136I92.8Very high92.8Very high2 Ų264.6 Ų64.61%0.0131%0.305CS..  trans-9275.4-172.6-55.3169.8000109.2F90 Y98 L119 V131 A133 K134 H139 Y146F90-I136 HydrophobicContact CE2-CD1 4.45Å; F90-I136 HydrophobicContact CZ-CD1 3.86Å; F90-I136 HydrophobicContact CZ-CG1 4.35Å; Y98-I136 HydrophobicContact CE2-CB 4.4Å; Y98-I136 HydrophobicContact CE2-CG1 4.3Å; Y98-I136 HydrophobicContact CE2-CG2 3.84Å; Y98-I136 VanDerWaalsContact OH-CA 3.26Å; Y98-I136 WeakPolarHBondContact OH-CA 3.43Å; L119-I136 HydrophobicContact CD2-CG2 4.25Å; V131-I136 HydrophobicContact CG1-CD1 4.01Å; V131-I136 HydrophobicContact CG1-CG1 3.67Å; A133-I136 WeakPolarHBondContact O-CB 3.45Å; A133-I136 PolarHBondContact O-N 2.87Å; K134-I136 VanDerWaalsContact C-N 3.34Å; I136-H139 PolarHBondContact O-CE1 2.95Å; I136-H139 PolarHBondContact O-ND1 2.79Å; I136-Y146 HydrophobicContact CD1-CE1 4.25Å; I136-Y146 HydrophobicContact CD1-CE2 4.09Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.13Å; I136-Y146 HydrophobicContact CG2-CD2 3.76Å; I136-Y146 HydrophobicContact CG2-CE2 3.64Å; I136-Y146 HydrophobicContact CG2-CG 4.21Å
137V93.6Very high92.9Very high32 Ų3263.3 Ų63.319%0.19430%0.296CS..  trans-99.5-14.3-176.6-63.50000113.6Y98 S135 H139 R140 K141 L209Y98-V137 PolarHBondContact OH-N 3.37Å; S135-V137 PolarHBondContact O-N 2.85Å; S135-V137 VanDerWaalsContact O-N 3.14Å; V137-H139 VanDerWaalsContact C-N 3.27Å; V137-H139 PolarHBondContact O-N 2.97Å; V137-R140 PolarHBondContact O-N 3.12Å; V137-K141 PolarHBondContact O-N 3.41Å; V137-L209 HydrophobicContact CB-CD2 3.81Å; V137-L209 HydrophobicContact CG1-CD2 4.14Å
138F93.7Very high93.3Very high22 Ų2254.2 Ų54.210%0.09626%0.257CS..Hα-helixtrans-56.4-38-173.6-171.2-99.8000113.8Y98 V101 P102 H105 R140 K141 K142 L144Y98-F138 VanDerWaalsContact OH-CB 3.28Å; Y98-F138 WeakPolarHBondContact OH-CB 3.05Å; Y98-F138 PolarHBondContact OH-N 2.97Å; Y98-F138 VanDerWaalsContact OH-N 3.17Å; V101-F138 HydrophobicContact CG1-CD1 3.51Å; V101-F138 HydrophobicContact CG1-CE1 3.75Å; V101-F138 HydrophobicContact CG1-CG 4.13Å; P102-F138 HydrophobicContact CB-CD2 4.45Å; P102-F138 HydrophobicContact CB-CE2 3.73Å; P102-F138 HydrophobicContact CB-CZ 4.17Å; P102-F138 HydrophobicContact CG-CD2 3.89Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.37Å; H105-F138 HydrophobicContact CB-CE1 3.67Å; H105-F138 HydrophobicContact CB-CZ 3.63Å; H105-F138 AromaticContact CD2-CE1 3.94Å; H105-F138 AromaticContact CG-CE1 3.72Å; H105-F138 AromaticContact CG-CZ 3.65Å; H105-F138 AromaticContact ND1-CZ 3.96Å; F138-R140 VanDerWaalsContact C-N 3.31Å; F138-R140 PolarHBondContact O-N 3.27Å; F138-K141 PolarHBondContact O-N 3.43Å; F138-K142 HydrophobicContact CE1-CB 4.38Å; F138-K142 HydrophobicContact CE1-CG 3.97Å; F138-K142 HydrophobicContact CE2-CG 3.95Å; F138-K142 HydrophobicContact CZ-CG 3.63Å; F138-K142 PolarHBondContact O-N 3.4Å; F138-L144 HydrophobicContact CD1-CD1 4.08Å; F138-L144 HydrophobicContact CE1-CD1 3.92Å
139H91.2Very high93.5Very high14 Ų1449.6 Ų49.67%0.06523%0.232CC..Hα-helixtrans-62.2-37.6179.271.6-80.2000112.3L119 I136 V137 N143 L144L119-H139 HydrophobicContact CD2-CB 4.17Å; I136-H139 PolarHBondContact O-CE1 2.95Å; I136-H139 PolarHBondContact O-ND1 2.79Å; V137-H139 VanDerWaalsContact C-N 3.27Å; V137-H139 PolarHBondContact O-N 2.97Å; H139-N143 CarbonylContact O-C 3.52Å; H139-N143 WeakPolarHBondContact O-CA 3.31Å; H139-N143 PolarHBondContact O-N 3.42Å; H139-L144 HydrophobicContact CB-CB 4.09Å; H139-L144 WeakPolarHBondContact CB-O 3.38Å; H139-L144 PolarHBondContact O-N 3.43Å
140R91.5Very high93.6Very high78 Ų7849.2 Ų49.229%0.29423%0.23SC..Hα-helixtrans-70.8-42.9174.9-67.117465.2-159.9-2.9111.7V137 F138 K142 N143 A204 Q205 T207 L209V137-R140 PolarHBondContact O-N 3.12Å; F138-R140 VanDerWaalsContact C-N 3.31Å; F138-R140 PolarHBondContact O-N 3.27Å; R140-K142 PolarHBondContact O-N 2.88Å; R140-N143 PolarHBondContact O-N 3.34Å; R140-A204 PolarHBondContact NH1-O 3.22Å; R140-Q205 PolarHBondContact NE-O 3.45Å; R140-Q205 PolarHBondContact NH1-O 3.36Å; R140-Q205 PolarHBondContact NH2-O 3.05Å; R140-T207 VanDerWaalsContact CZ-O 3.22Å; R140-T207 PolarHBondContact NH1-O 2.88Å; R140-T207 PolarHBondContact NH2-O 3.21Å; R140-L209 HydrophobicContact CB-CD1 4.41Å; R140-L209 HydrophobicContact CB-CD2 4.06Å
141K91.1Very high93.5Very high91 Ų9145.4 Ų45.440%0.39621%0.214SC..Hα-helixtrans-60.1-30.3177.7-68.5-167174.7-163.60113.1V137 F138 L209V137-K141 PolarHBondContact O-N 3.41Å; F138-K141 PolarHBondContact O-N 3.43Å; K141-L209 HydrophobicContact CG-CD1 4.29Å; K141-L209 HydrophobicContact CG-CD2 4.39Å
142K92.3Very high93.4Very high113 Ų11348.3 Ų48.349%0.49123%0.227SC..Hα-helixtrans-115.38.8-177.4-61.9-58.6-179.2-169.10114.7F138 R140 L144F138-K142 HydrophobicContact CE1-CB 4.38Å; F138-K142 HydrophobicContact CE1-CG 3.97Å; F138-K142 HydrophobicContact CE2-CG 3.95Å; F138-K142 HydrophobicContact CZ-CG 3.63Å; F138-K142 PolarHBondContact O-N 3.4Å; R140-K142 PolarHBondContact O-N 2.88Å; K142-L144 VanDerWaalsContact C-N 3.35Å; K142-L144 HydrophobicContact CB-CD1 4.27Å; K142-L144 HydrophobicContact CB-CD2 4.13Å; K142-L144 HydrophobicContact CB-CG 3.91Å; K142-L144 WeakPolarHBondContact O-CD2 3.48Å; K142-L144 PolarHBondContact O-N 2.86Å
143N91Very high93.5Very high151 Ų15144.1 Ų44.181%0.80721%0.21SC*.THydrogen-bonded Turntrans55.344.3-178.2-165.832.1000114.1H139 R140H139-N143 CarbonylContact O-C 3.52Å; H139-N143 WeakPolarHBondContact O-CA 3.31Å; H139-N143 PolarHBondContact O-N 3.42Å; R140-N143 PolarHBondContact O-N 3.34Å
144L95.3Very high93.6Very high19 Ų1945.7 Ų45.710%0.09922%0.218CC..  trans-98.5154.7175.6-42.7-176000110I117 F138 H139 K142I117-L144 HydrophobicContact CB-CD2 3.95Å; I117-L144 HydrophobicContact CD1-CD2 4.46Å; I117-L144 HydrophobicContact CG2-CD1 4.34Å; F138-L144 HydrophobicContact CD1-CD1 4.08Å; F138-L144 HydrophobicContact CE1-CD1 3.92Å; H139-L144 HydrophobicContact CB-CB 4.09Å; H139-L144 WeakPolarHBondContact CB-O 3.38Å; H139-L144 PolarHBondContact O-N 3.43Å; K142-L144 VanDerWaalsContact C-N 3.35Å; K142-L144 HydrophobicContact CB-CD1 4.27Å; K142-L144 HydrophobicContact CB-CD2 4.13Å; K142-L144 HydrophobicContact CB-CG 3.91Å; K142-L144 WeakPolarHBondContact O-CD2 3.48Å; K142-L144 PolarHBondContact O-N 2.86Å
145Q96.5Very high93.9Very high47 Ų4738.8 Ų38.822%0.2219%0.187CC..EExtended strand (participates in β ladder)trans-79.7142.3166.8-175.160.93200110.2I117 V118 L119 Y147 W163I117-Q145 PolarHBondContact O-N 2.71Å; V118-Q145 CarbonylContact C-O 3.58Å; V118-Q145 WeakPolarHBondContact CA-O 3.48Å; V118-Q145 HydrophobicContact CG2-CB 4.31Å; L119-Q145 PolarHBondContact N-O 2.99Å; Q145-Y147 HydrophobicContact CG-CD2 4.08Å; Q145-Y147 HydrophobicContact CG-CE2 3.41Å; Q145-Y147 VanDerWaalsContact CG-CE2 3.41Å; Q145-Y147 PolarHBondContact NE2-OH 3.15Å; Q145-W163 HydrophobicContact CB-CD2 3.68Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.02Å; Q145-W163 HydrophobicContact CB-CG 4.17Å; Q145-W163 HydrophobicContact CB-CH2 3.95Å; Q145-W163 HydrophobicContact CB-CZ2 3.6Å; Q145-W163 HydrophobicContact CB-CZ3 4.14Å; Q145-W163 HydrophobicContact CG-CD2 3.89Å; Q145-W163 HydrophobicContact CG-CG 3.82Å; Q145-W163 HydrophobicContact CG-CZ2 4.45Å
146Y97.5Very high94.1Very high7 Ų737.3 Ų37.33%0.02718%0.175CC..EExtended strand (participates in β ladder)trans-116.7141.6173.5178.3-99.4000112.2F90 L119 I136 D148 L201F90-Y146 AromaticContact CE1-CE2 3.77Å; F90-Y146 HydrophobicContact CE1-CE2 3.77Å; F90-Y146 AromaticContact CZ-CE2 3.85Å; F90-Y146 HydrophobicContact CZ-CE2 3.85Å; L119-Y146 HydrophobicContact CB-CD2 4.09Å; L119-Y146 HydrophobicContact CD2-CD2 3.9Å; L119-Y146 HydrophobicContact CD2-CE2 4.46Å; L119-Y146 HydrophobicContact CG-CD2 3.83Å; L119-Y146 HydrophobicContact CG-CE2 4.3Å; L119-Y146 WeakPolarHBondContact O-CA 3.38Å; L119-Y146 VanDerWaalsContact O-CD2 3.26Å; L119-Y146 WeakPolarHBondContact O-CD2 3.37Å; I136-Y146 HydrophobicContact CD1-CE1 4.25Å; I136-Y146 HydrophobicContact CD1-CE2 4.09Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.13Å; I136-Y146 HydrophobicContact CG2-CD2 3.76Å; I136-Y146 HydrophobicContact CG2-CE2 3.64Å; I136-Y146 HydrophobicContact CG2-CG 4.21Å; Y146-D148 PolarHBondContact OH-OD1 3.03Å; Y146-L201 HydrophobicContact CD1-CD1 4.4Å; Y146-L201 HydrophobicContact CD1-CD2 3.58Å; Y146-L201 HydrophobicContact CE1-CD1 4.05Å; Y146-L201 HydrophobicContact CE1-CD2 3.33Å; Y146-L201 HydrophobicContact CE1-CG 4.34Å
147Y97.5Very high94.1Very high43 Ų4337.5 Ų37.517%0.16918%0.176CC..EExtended strand (participates in β ladder)trans-139.3136.1166.8-66.1-62.9000112.2V118 L119 C120 G121 Q145 K159 P160 W163V118-Y147 HydrophobicContact CG1-CD2 3.78Å; V118-Y147 HydrophobicContact CG1-CE2 4.31Å; L119-Y147 PolarHBondContact O-N 3.21Å; C120-Y147 WeakPolarHBondContact CA-O 3.42Å; G121-Y147 PolarHBondContact N-O 3.36Å; Q145-Y147 HydrophobicContact CG-CD2 4.08Å; Q145-Y147 HydrophobicContact CG-CE2 3.41Å; Q145-Y147 VanDerWaalsContact CG-CE2 3.41Å; Q145-Y147 PolarHBondContact NE2-OH 3.15Å; Y147-K159 HydrophobicContact CD1-CB 4.02Å; Y147-K159 HydrophobicContact CD1-CD 3.85Å; Y147-K159 HydrophobicContact CD2-CB 3.97Å; Y147-K159 HydrophobicContact CE1-CB 3.98Å; Y147-K159 HydrophobicContact CE1-CD 3.76Å; Y147-K159 HydrophobicContact CE1-CG 4.45Å; Y147-K159 HydrophobicContact CE2-CB 3.9Å; Y147-K159 HydrophobicContact CG-CB 4.03Å; Y147-P160 HydrophobicContact CD2-CG 4.19Å; Y147-W163 HydrophobicContact CE2-CB 4.07Å
148D97.1Very high94.1Very high0 Ų037.7 Ų37.70%017%0.174CC..EExtended strand (participates in β ladder)trans-73128.7156-89.3-6.3000108.7V124 R129 Y146 Y155 N156 L201V124-D148 HydrophobicContact CG1-CB 3.85Å; R129-D148 IonicContact CZ-OD1 3.39Å; R129-D148 IonicContact CZ-OD2 3.05Å; R129-D148 IonicContact NH1-OD1 3.17Å; R129-D148 IonicContact NH1-OD2 3.87Å; R129-D148 PolarHBondContact NH1-OD2 2.86Å; R129-D148 IonicContact NH2-OD1 2.76Å; R129-D148 PolarHBondContact NH2-OD1 3.36Å; R129-D148 IonicContact NH2-OD2 3.3Å; R129-D148 PolarHBondContact NH2-OD2 3.47Å; R129-D148 VanDerWaalsContact NH2-OD2 3.16Å; Y146-D148 PolarHBondContact OH-OD1 3.03Å; D148-Y155 HydrophobicContact CB-CE1 4.21Å; D148-N156 WeakPolarHBondContact O-CB 3.39Å; D148-N156 PolarHBondContact O-ND2 2.85Å; D148-L201 HydrophobicContact CB-CD1 4.15Å
149I97.3Very high94.2Very high0 Ų040.4 Ų40.40%019%0.186CC..  trans-134.9158.8178.568.5168.9000111.3F26 M89 C120 G121 N122 K123 V124 Y155 N156 P160F26-I149 HydrophobicContact CD2-CD1 3.81Å; F26-I149 HydrophobicContact CE2-CD1 3.74Å; M89-I149 HydrophobicContact CE-CD1 3.8Å; C120-I149 HydrophobicContact CB-CD1 3.78Å; C120-I149 HydrophobicContact CB-CG1 4.19Å; G121-I149 PolarHBondContact O-N 3.19Å; N122-I149 CarbonylContact C-O 3.54Å; N122-I149 WeakPolarHBondContact CA-O 3.36Å; N122-I149 HydrophobicContact CB-CD1 4.26Å; N122-I149 HydrophobicContact CB-CG1 3.97Å; N122-I149 PolarHBondContact OD1-O 3.46Å; K123-I149 PolarHBondContact N-O 2.74Å; V124-I149 WeakPolarHBondContact CG2-O 3.38Å; V124-I149 PolarHBondContact N-O 3.16Å; I149-Y155 WeakPolarHBondContact CA-O 3.09Å; I149-N156 HydrophobicContact CG2-CB 4.09Å; I149-P160 HydrophobicContact CG2-CG 4.26Å
150S96.8Very high94.6Very high0 Ų039.7 Ų39.70%018%0.183CC..BIsolated β-bridgetrans-136.4116.6162.4171.70000110.4D125 K152 S153 N154 Y155D125-S150 VanDerWaalsContact CG-OG 3.24Å; D125-S150 WeakPolarHBondContact OD1-CB 3.48Å; D125-S150 PolarHBondContact OD1-OG 2.94Å; S150-K152 PolarHBondContact O-N 2.96Å; S150-K152 PolarHBondContact OG-N 2.87Å; S150-S153 WeakPolarHBondContact CB-OG 3.35Å; S150-S153 PolarHBondContact OG-N 3.22Å; S150-S153 VanDerWaalsContact OG-N 3.1Å; S150-S153 PolarHBondContact OG-OG 3.1Å; S150-N154 WeakPolarHBondContact O-CA 3.47Å; S150-N154 PolarHBondContact O-N 2.76Å; S150-Y155 PolarHBondContact N-O 2.93Å; S150-Y155 PolarHBondContact O-N 2.89Å
151A93.6Very high94.9Very high2 Ų236 Ų362%0.01717%0.169CC..THydrogen-bonded Turntrans-66.3-12.7168.500000112.7T25 F26 R29 F35 N122 F157T25-A151 HydrophobicContact CG2-CB 4.37Å; F26-A151 HydrophobicContact CB-CB 4.42Å; R29-A151 WeakPolarHBondContact CD-O 3.44Å; R29-A151 PolarHBondContact NH1-O 2.76Å; F35-A151 VanDerWaalsContact CD2-O 3.29Å; F35-A151 WeakPolarHBondContact CD2-O 3.48Å; N122-A151 PolarHBondContact OD1-N 2.93Å; N122-A151 VanDerWaalsContact OD1-N 3.17Å; A151-F157 HydrophobicContact CB-CE2 4.05Å
152K93.4Very high95.2Very high64 Ų6433.3 Ų33.328%0.27816%0.159SC..THydrogen-bonded Turntrans-89.2-39.1179.7-168.1172.7-172.7179.40112.7R29 F35 D125 S150 E186 V187R29-K152 VanDerWaalsContact NH1-C 3.3Å; R29-K152 PolarHBondContact NH1-O 2.99Å; F35-K152 HydrophobicContact CD2-CB 4.37Å; F35-K152 HydrophobicContact CD2-CG 4.49Å; F35-K152 HydrophobicContact CE1-CD 4.3Å; F35-K152 HydrophobicContact CE1-CG 4.17Å; F35-K152 HydrophobicContact CE2-CB 3.74Å; F35-K152 HydrophobicContact CE2-CG 4.06Å; F35-K152 HydrophobicContact CZ-CB 3.92Å; F35-K152 HydrophobicContact CZ-CD 4.13Å; F35-K152 HydrophobicContact CZ-CG 3.89Å; D125-K152 WeakPolarHBondContact OD2-CD 3.38Å; S150-K152 PolarHBondContact O-N 2.96Å; S150-K152 PolarHBondContact OG-N 2.87Å; K152-E186 HydrophobicContact CG-CB 3.96Å; K152-E186 PolarHBondContact O-N 3.21Å; K152-V187 HydrophobicContact CD-CG2 4.14Å
153S93.1Very high95.4Very high12 Ų1230 Ų308%0.08414%0.143CC..THydrogen-bonded Turntrans-104.21.6-177.167.10000114.6S150 Y155 P185 V187 M189S150-S153 WeakPolarHBondContact CB-OG 3.35Å; S150-S153 PolarHBondContact OG-N 3.22Å; S150-S153 VanDerWaalsContact OG-N 3.1Å; S150-S153 PolarHBondContact OG-OG 3.1Å; S153-Y155 PolarHBondContact O-N 3.24Å; S153-Y155 WeakPolarHBondContact OG-CB 2.97Å; S153-Y155 PolarHBondContact OG-N 3.26Å; S153-P185 WeakPolarHBondContact O-CB 3.48Å; S153-V187 WeakPolarHBondContact CA-O 3.35Å; S153-V187 WeakPolarHBondContact CB-O 3.48Å; S153-M189 WeakPolarHBondContact OG-CG 3.15Å
154N92.6Very high95.8Very high37 Ų3722.8 Ų22.820%0.19811%0.105CC..THydrogen-bonded Turntrans60.417.1-172.1-58.3-21.3000114R29 S150 N156 F157 A183R29-N154 VanDerWaalsContact CZ-OD1 3.24Å; R29-N154 PolarHBondContact NE-OD1 3.37Å; S150-N154 WeakPolarHBondContact O-CA 3.47Å; S150-N154 PolarHBondContact O-N 2.76Å; N154-N156 PolarHBondContact O-N 2.87Å; N154-F157 HydrophobicContact CB-CB 4.41Å; N154-F157 WeakPolarHBondContact O-CB 3.45Å; N154-F157 PolarHBondContact O-N 2.87Å; N154-A183 PolarHBondContact ND2-O 2.76Å
155Y94.3Very high95.9Very high25 Ų2521.9 Ų21.910%0.09810%0.1CC..BIsolated β-bridgetrans-66.9126.5178.2-178.8-108.1000111.5V124 D148 I149 S150 S153 F157 M189 A194 E198V124-Y155 HydrophobicContact CG2-CD1 3.7Å; V124-Y155 HydrophobicContact CG2-CE1 4.29Å; D148-Y155 HydrophobicContact CB-CE1 4.21Å; I149-Y155 WeakPolarHBondContact CA-O 3.09Å; S150-Y155 PolarHBondContact N-O 2.93Å; S150-Y155 PolarHBondContact O-N 2.89Å; S153-Y155 PolarHBondContact O-N 3.24Å; S153-Y155 WeakPolarHBondContact OG-CB 2.97Å; S153-Y155 PolarHBondContact OG-N 3.26Å; Y155-F157 PolarHBondContact O-N 3.03Å; Y155-M189 HydrophobicContact CG-CG 4.38Å; Y155-A194 HydrophobicContact CD2-CB 4.41Å; Y155-A194 HydrophobicContact CE2-CB 3.82Å; Y155-E198 WeakPolarHBondContact OH-CG 3.35Å; Y155-E198 PolarHBondContact OH-OE1 3Å
156N94.3Very high96Very high25 Ų2523.5 Ų23.513%0.13410%0.104CC..THydrogen-bonded Turntrans5124.6-177.3-71.6-24.8000114.7D148 I149 N154 E158 K159 P160D148-N156 WeakPolarHBondContact O-CB 3.39Å; D148-N156 PolarHBondContact O-ND2 2.85Å; I149-N156 HydrophobicContact CG2-CB 4.09Å; N154-N156 PolarHBondContact O-N 2.87Å; N156-E158 VanDerWaalsContact C-N 3.28Å; N156-E158 PolarHBondContact O-N 3.18Å; N156-K159 HydrophobicContact CB-CB 4.44Å; N156-K159 HydrophobicContact CB-CD 3.94Å; N156-K159 HydrophobicContact CB-CG 4.17Å; N156-K159 PolarHBondContact O-N 3.45Å; N156-K159 VanDerWaalsContact O-N 3.14Å; N156-K159 VanDerWaalsContact OD1-CD 3.31Å; N156-K159 WeakPolarHBondContact OD1-CD 3.29Å; N156-K159 WeakPolarHBondContact OD1-CE 3.31Å; N156-K159 PolarHBondContact OD1-NZ 3.49Å; N156-P160 WeakPolarHBondContact O-CD 3.38Å
157F92.5Very high96Very high5 Ų529.1 Ų29.12%0.02213%0.129CC..THydrogen-bonded Turntrans-59.6-36.7-165-163.1-124.3000113.7F26 R29 H30 A151 N154 Y155 L182F26-F157 AromaticContact CD2-CD2 3.78Å; F26-F157 HydrophobicContact CD2-CD2 3.78Å; F26-F157 AromaticContact CD2-CE2 3.37Å; F26-F157 HydrophobicContact CD2-CE2 3.37Å; F26-F157 HydrophobicContact CD2-CZ 4.21Å; F26-F157 AromaticContact CE2-CD2 3.71Å; F26-F157 HydrophobicContact CE2-CD2 3.71Å; F26-F157 AromaticContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CG 4.47Å; F26-F157 WeakPolarHBondContact CE2-O 3.34Å; F26-F157 HydrophobicContact CG-CE2 4.26Å; F26-F157 WeakPolarHBondContact O-CZ 3.43Å; R29-F157 HydrophobicContact CB-CE1 4.38Å; R29-F157 HydrophobicContact CB-CE2 4.48Å; R29-F157 HydrophobicContact CB-CZ 3.66Å; R29-F157 HydrophobicContact CG-CE1 4.06Å; R29-F157 HydrophobicContact CG-CZ 3.69Å; H30-F157 HydrophobicContact CB-CE1 4.42Å; H30-F157 AromaticContact CD2-CD1 3.97Å; H30-F157 AromaticContact CD2-CE1 3.67Å; H30-F157 AromaticContact CE1-CD1 3.2Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.48Å; H30-F157 AromaticContact CE1-CD2 3.75Å; H30-F157 AromaticContact CE1-CE1 3Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.3Å; H30-F157 AromaticContact CE1-CE2 3.54Å; H30-F157 AromaticContact CE1-CG 3.57Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.33Å; H30-F157 PolarHBondContact CE1-O 3.5Å; H30-F157 AromaticContact CG-CE1 3.53Å; H30-F157 AromaticContact CG-CZ 3.86Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.13Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.33Å; H30-F157 AromaticContact ND1-CE2 3.78Å; H30-F157 AromaticContact ND1-CZ 3.05Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.43Å; H30-F157 AromaticContact NE2-CD1 3.3Å; H30-F157 VanDerWaalsContact NE2-CD1 3.3Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.48Å; H30-F157 AromaticContact NE2-CE1 3.38Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.33Å; H30-F157 AromaticContact NE2-CG 3.91Å; H30-F157 AromaticContact NE2-CZ 4Å; H30-F157 PolarHBondContact NE2-O 3.37Å; A151-F157 HydrophobicContact CB-CE2 4.05Å; N154-F157 HydrophobicContact CB-CB 4.41Å; N154-F157 WeakPolarHBondContact O-CB 3.45Å; N154-F157 PolarHBondContact O-N 2.87Å; Y155-F157 PolarHBondContact O-N 3.03Å; F157-L182 HydrophobicContact CD1-CD1 3.57Å; F157-L182 HydrophobicContact CD1-CD2 4.31Å; F157-L182 HydrophobicContact CE1-CD1 3.9Å; F157-L182 HydrophobicContact CE1-CD2 3.78Å
158E94.1Very high95.9Very high36 Ų3629.1 Ų29.117%0.16813%0.132CC..THydrogen-bonded Turntrans-93.3-14.4-178.2-58.3-167.6107.400114.4N156 P160 F161 L162 F176 P180N156-E158 VanDerWaalsContact C-N 3.28Å; N156-E158 PolarHBondContact O-N 3.18Å; E158-P160 VanDerWaalsContact C-CD 3.44Å; E158-P160 VanDerWaalsContact C-N 3.32Å; E158-F161 PolarHBondContact O-N 2.84Å; E158-F161 VanDerWaalsContact O-N 3.08Å; E158-L162 PolarHBondContact O-N 3.32Å; E158-F176 HydrophobicContact CB-CD2 4.21Å; E158-F176 HydrophobicContact CB-CE2 4.1Å; E158-P180 WeakPolarHBondContact OE1-CD 3.35Å; E158-P180 WeakPolarHBondContact OE1-CG 3.44Å
159K96.4Very high95.9Very high79 Ų7932.4 Ų32.434%0.34315%0.148SC..Hα-helixtrans-54.4-40.8-175.4-71.9-165.7176.4165.20113.1Y147 N156 L162 W163Y147-K159 HydrophobicContact CD1-CB 4.02Å; Y147-K159 HydrophobicContact CD1-CD 3.85Å; Y147-K159 HydrophobicContact CD2-CB 3.97Å; Y147-K159 HydrophobicContact CE1-CB 3.98Å; Y147-K159 HydrophobicContact CE1-CD 3.76Å; Y147-K159 HydrophobicContact CE1-CG 4.45Å; Y147-K159 HydrophobicContact CE2-CB 3.9Å; Y147-K159 HydrophobicContact CG-CB 4.03Å; N156-K159 HydrophobicContact CB-CB 4.44Å; N156-K159 HydrophobicContact CB-CD 3.94Å; N156-K159 HydrophobicContact CB-CG 4.17Å; N156-K159 PolarHBondContact O-N 3.45Å; N156-K159 VanDerWaalsContact O-N 3.14Å; N156-K159 VanDerWaalsContact OD1-CD 3.31Å; N156-K159 WeakPolarHBondContact OD1-CD 3.29Å; N156-K159 WeakPolarHBondContact OD1-CE 3.31Å; N156-K159 PolarHBondContact OD1-NZ 3.49Å; K159-L162 PolarHBondContact O-N 3.04Å; K159-W163 WeakPolarHBondContact O-CB 3.24Å; K159-W163 PolarHBondContact O-N 3.2Å
160P98.1Very high95.9Very high0 Ų035.3 Ų35.30%018%0.179CC..Hα-helixtrans-58.3-48.8175.2-26.436.4000113.1F26 I87 V118 C120 Y147 I149 N156 E158 W163 L164F26-P160 HydrophobicContact CZ-CG 4.43Å; I87-P160 HydrophobicContact CD1-CB 3.9Å; V118-P160 HydrophobicContact CB-CB 4.42Å; V118-P160 HydrophobicContact CG1-CB 3.96Å; V118-P160 HydrophobicContact CG1-CG 4.35Å; C120-P160 VanDerWaalsContact SG-CG 3.52Å; Y147-P160 HydrophobicContact CD2-CG 4.19Å; I149-P160 HydrophobicContact CG2-CG 4.26Å; N156-P160 WeakPolarHBondContact O-CD 3.38Å; E158-P160 VanDerWaalsContact C-CD 3.44Å; E158-P160 VanDerWaalsContact C-N 3.32Å; P160-W163 PolarHBondContact O-N 3.17Å; P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 VanDerWaalsContact O-CG 3.27Å; P160-L164 WeakPolarHBondContact O-CG 3.12Å; P160-L164 PolarHBondContact O-N 3.16Å
161F97.7Very high95.8Very high0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-67.5-39.8-178.6-65.6-76.4000112L13 F26 H30 L50 F52 F61 V63 I87 E158 L164 A165 F176L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.89Å; F26-F161 HydrophobicContact CE1-CD2 4.47Å; F26-F161 AromaticContact CE1-CE2 3.38Å; F26-F161 HydrophobicContact CE1-CE2 3.38Å; F26-F161 AromaticContact CE1-CZ 3.58Å; F26-F161 HydrophobicContact CE1-CZ 3.58Å; F26-F161 HydrophobicContact CZ-CD2 4.17Å; F26-F161 AromaticContact CZ-CE2 3.39Å; F26-F161 HydrophobicContact CZ-CE2 3.39Å; F26-F161 HydrophobicContact CZ-CZ 4.09Å; H30-F161 AromaticContact CD2-CE2 3.89Å; H30-F161 AromaticContact CE1-CE2 3.45Å; H30-F161 VanDerWaalsContact CE1-CE2 3.45Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.34Å; H30-F161 AromaticContact ND1-CE2 3.8Å; H30-F161 AromaticContact NE2-CD2 3.7Å; H30-F161 AromaticContact NE2-CE2 3.48Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.42Å; L50-F161 HydrophobicContact CD1-CE1 4.12Å; L50-F161 HydrophobicContact CD1-CZ 3.77Å; F52-F161 HydrophobicContact CE1-CB 4.32Å; F52-F161 HydrophobicContact CE1-CD2 4.33Å; F52-F161 HydrophobicContact CE1-CG 4.35Å; F52-F161 HydrophobicContact CE2-CB 4.05Å; F52-F161 AromaticContact CE2-CD1 3.73Å; F52-F161 HydrophobicContact CE2-CD1 3.73Å; F52-F161 HydrophobicContact CE2-CD2 4.28Å; F52-F161 HydrophobicContact CE2-CE1 4.2Å; F52-F161 AromaticContact CE2-CG 3.76Å; F52-F161 HydrophobicContact CE2-CG 3.76Å; F52-F161 HydrophobicContact CZ-CB 3.89Å; F52-F161 AromaticContact CZ-CD1 3.92Å; F52-F161 HydrophobicContact CZ-CD1 3.92Å; F52-F161 AromaticContact CZ-CD2 3.61Å; F52-F161 HydrophobicContact CZ-CD2 3.61Å; F52-F161 HydrophobicContact CZ-CE1 4.33Å; F52-F161 HydrophobicContact CZ-CE2 4.05Å; F52-F161 AromaticContact CZ-CG 3.53Å; F52-F161 HydrophobicContact CZ-CG 3.53Å; F52-F161 HydrophobicContact CZ-CZ 4.39Å; F61-F161 AromaticContact CD2-CD1 3.81Å; F61-F161 HydrophobicContact CD2-CD1 3.81Å; F61-F161 HydrophobicContact CE2-CB 4.34Å; F61-F161 HydrophobicContact CE2-CD1 4.13Å; F61-F161 HydrophobicContact CG-CD1 4.22Å; V63-F161 HydrophobicContact CG2-CE1 4.15Å; I87-F161 HydrophobicContact CD1-CE1 4.4Å; I87-F161 HydrophobicContact CD1-CZ 4.44Å; E158-F161 PolarHBondContact O-N 2.84Å; E158-F161 VanDerWaalsContact O-N 3.08Å; F161-L164 PolarHBondContact O-N 2.62Å; F161-A165 VanDerWaalsContact O-CB 3.3Å; F161-A165 WeakPolarHBondContact O-CB 3.14Å; F161-A165 PolarHBondContact O-N 2.84Å; F161-F176 HydrophobicContact CB-CE2 4.15Å; F161-F176 HydrophobicContact CB-CZ 3.94Å
162L97.3Very high96Very high35 Ų3541.1 Ų41.118%0.18322%0.215CC..Hα-helixtrans-63.7-45.4178.1-178.460000111.6E158 K159 A165 R166 L174 F176E158-L162 PolarHBondContact O-N 3.32Å; K159-L162 PolarHBondContact O-N 3.04Å; L162-A165 PolarHBondContact O-N 3.42Å; L162-R166 VanDerWaalsContact O-CG 3.29Å; L162-R166 WeakPolarHBondContact O-CG 3.1Å; L162-R166 PolarHBondContact O-N 3.19Å; L162-L174 HydrophobicContact CD1-CD2 3.74Å; L162-L174 WeakPolarHBondContact CD1-O 3.48Å; L162-F176 HydrophobicContact CB-CE2 4.02Å; L162-F176 HydrophobicContact CB-CZ 4.05Å; L162-F176 HydrophobicContact CD1-CD1 4Å; L162-F176 HydrophobicContact CD1-CE1 4Å; L162-F176 HydrophobicContact CD1-CG 4.34Å; L162-F176 HydrophobicContact CD1-CZ 4.31Å
163W98.1Very high96.1Very high43 Ų4343.4 Ų43.416%0.16323%0.23CC..Hα-helixtrans-62.6-43.8176.9-175.495.9000111.7P116 V118 Q145 Y147 K159 P160 R166 K167P116-W163 HydrophobicContact CB-CH2 4.15Å; P116-W163 HydrophobicContact CB-CZ3 3.76Å; V118-W163 HydrophobicContact CG2-CD2 4.23Å; V118-W163 HydrophobicContact CG2-CE3 3.39Å; V118-W163 HydrophobicContact CG2-CZ3 3.81Å; Q145-W163 HydrophobicContact CB-CD2 3.68Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.02Å; Q145-W163 HydrophobicContact CB-CG 4.17Å; Q145-W163 HydrophobicContact CB-CH2 3.95Å; Q145-W163 HydrophobicContact CB-CZ2 3.6Å; Q145-W163 HydrophobicContact CB-CZ3 4.14Å; Q145-W163 HydrophobicContact CG-CD2 3.89Å; Q145-W163 HydrophobicContact CG-CG 3.82Å; Q145-W163 HydrophobicContact CG-CZ2 4.45Å; Y147-W163 HydrophobicContact CE2-CB 4.07Å; K159-W163 WeakPolarHBondContact O-CB 3.24Å; K159-W163 PolarHBondContact O-N 3.2Å; P160-W163 PolarHBondContact O-N 3.17Å; W163-R166 PolarHBondContact O-N 3.03Å; W163-K167 HydrophobicContact CD2-CG 3.94Å; W163-K167 HydrophobicContact CE3-CG 3.99Å; W163-K167 HydrophobicContact CH2-CD 4.45Å; W163-K167 HydrophobicContact CH2-CG 3.82Å; W163-K167 HydrophobicContact CZ2-CD 4.13Å; W163-K167 HydrophobicContact CZ2-CG 3.74Å; W163-K167 HydrophobicContact CZ3-CG 3.95Å; W163-K167 WeakPolarHBondContact O-CG 3.34Å; W163-K167 PolarHBondContact O-N 3.25Å
164L98.3Very high96.3Very high0 Ų042.8 Ų42.80%023%0.226CC..Hα-helixtrans-61.1-46.6175.7-74176.1000111.7L13 F61 C85 I87 P116 V118 P160 F161 R166 K167 L168L13-L164 HydrophobicContact CD1-CD1 3.53Å; L13-L164 HydrophobicContact CG-CD1 4.44Å; F61-L164 HydrophobicContact CE1-CB 4.33Å; F61-L164 HydrophobicContact CZ-CB 4.11Å; C85-L164 HydrophobicContact CB-CD1 4.32Å; C85-L164 HydrophobicContact CB-CD2 3.71Å; C85-L164 HydrophobicContact CB-CG 4.5Å; I87-L164 HydrophobicContact CD1-CD1 4.15Å; I87-L164 HydrophobicContact CG1-CD1 3.86Å; P116-L164 HydrophobicContact CB-CD2 3.95Å; P116-L164 HydrophobicContact CG-CD2 4.28Å; V118-L164 HydrophobicContact CG2-CD1 4.21Å; V118-L164 HydrophobicContact CG2-CD2 3.83Å; V118-L164 HydrophobicContact CG2-CG 3.69Å; P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 VanDerWaalsContact O-CG 3.27Å; P160-L164 WeakPolarHBondContact O-CG 3.12Å; P160-L164 PolarHBondContact O-N 3.16Å; F161-L164 PolarHBondContact O-N 2.62Å; L164-R166 PolarHBondContact O-N 2.98Å; L164-K167 PolarHBondContact O-N 2.73Å; L164-L168 HydrophobicContact CB-CD1 4.47Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.24Å; L164-L168 VanDerWaalsContact O-CG 3.23Å; L164-L168 WeakPolarHBondContact O-CG 2.95Å; L164-L168 PolarHBondContact O-N 2.94Å
165A97.5Very high96.4Very high0 Ų046.4 Ų46.40%024%0.241CC..Hα-helixtrans-59-46.8177.500000111.1I59 F61 F161 L162 K167 L168 I169 L174 F176I59-A165 HydrophobicContact CD1-CB 4.09Å; F61-A165 HydrophobicContact CE2-CB 4.42Å; F61-A165 HydrophobicContact CZ-CB 4.22Å; F161-A165 VanDerWaalsContact O-CB 3.3Å; F161-A165 WeakPolarHBondContact O-CB 3.14Å; F161-A165 PolarHBondContact O-N 2.84Å; L162-A165 PolarHBondContact O-N 3.42Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 3.41Å; A165-L168 PolarHBondContact O-N 3.27Å; A165-I169 VanDerWaalsContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CB 3.4Å; A165-I169 WeakPolarHBondContact O-CG1 3.45Å; A165-I169 PolarHBondContact O-N 2.83Å; A165-L174 HydrophobicContact CB-CD1 4.39Å; A165-L174 HydrophobicContact CB-CD2 3.86Å; A165-F176 HydrophobicContact CB-CE1 4.44Å
166R97.9Very high96.4Very high80 Ų8046.8 Ų46.830%0.30224%0.244SC..Hα-helixtrans-57.5-44.6175.7-72.5171.4173.8178.1-5.7112.3L162 W163 L164 G170 D171 P172 L174L162-R166 VanDerWaalsContact O-CG 3.29Å; L162-R166 WeakPolarHBondContact O-CG 3.1Å; L162-R166 PolarHBondContact O-N 3.19Å; W163-R166 PolarHBondContact O-N 3.03Å; L164-R166 PolarHBondContact O-N 2.98Å; R166-G170 WeakPolarHBondContact O-CA 3.15Å; R166-G170 PolarHBondContact O-N 3Å; R166-D171 WeakPolarHBondContact CG-O 3.3Å; R166-D171 PolarHBondContact O-N 3.1Å; R166-P172 PolarHBondContact NE-O 3.05Å; R166-L174 HydrophobicContact CG-CB 3.97Å; R166-L174 VanDerWaalsContact CZ-O 3.31Å; R166-L174 PolarHBondContact NE-O 3.03Å; R166-L174 PolarHBondContact NH2-O 3.03Å
167K97.4Very high96.2Very high126 Ų12650.2 Ų50.255%0.54827%0.265SS..Hα-helixtrans-68.2-42.7179.2-74.4-65.2-171.3178.70113.1P116 W163 L164 A165P116-K167 HydrophobicContact CB-CB 4.07Å; P116-K167 HydrophobicContact CG-CB 4.43Å; W163-K167 HydrophobicContact CD2-CG 3.94Å; W163-K167 HydrophobicContact CE3-CG 3.99Å; W163-K167 HydrophobicContact CH2-CD 4.45Å; W163-K167 HydrophobicContact CH2-CG 3.82Å; W163-K167 HydrophobicContact CZ2-CD 4.13Å; W163-K167 HydrophobicContact CZ2-CG 3.74Å; W163-K167 HydrophobicContact CZ3-CG 3.95Å; W163-K167 WeakPolarHBondContact O-CG 3.34Å; W163-K167 PolarHBondContact O-N 3.25Å; L164-K167 PolarHBondContact O-N 2.73Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 3.41Å
168L97Very high95.5Very high43 Ų4352.3 Ų52.323%0.22528%0.283CS..Hα-helixtrans-72.7-35.2-177.5-70.3165.6000112.6F11 F61 Q84 C85 P116 L164 A165F11-L168 HydrophobicContact CB-CD1 4.1Å; F11-L168 HydrophobicContact CD1-CB 4.28Å; F11-L168 HydrophobicContact CD1-CD1 3.9Å; F11-L168 HydrophobicContact CD1-CD2 4.18Å; F11-L168 HydrophobicContact CD1-CG 4.35Å; F11-L168 HydrophobicContact CD2-CB 4.48Å; F11-L168 HydrophobicContact CD2-CD1 3.85Å; F11-L168 HydrophobicContact CE1-CB 3.83Å; F11-L168 HydrophobicContact CE1-CD1 4.29Å; F11-L168 HydrophobicContact CE1-CD2 4.29Å; F11-L168 HydrophobicContact CE1-CG 4.37Å; F11-L168 HydrophobicContact CE2-CB 4.02Å; F11-L168 HydrophobicContact CE2-CD1 4.22Å; F11-L168 HydrophobicContact CG-CD1 3.68Å; F11-L168 HydrophobicContact CZ-CB 3.69Å; F11-L168 HydrophobicContact CZ-CD1 4.45Å; F61-L168 HydrophobicContact CE1-CD1 3.73Å; F61-L168 HydrophobicContact CZ-CD1 4.24Å; Q84-L168 HydrophobicContact CB-CD2 4.3Å; Q84-L168 WeakPolarHBondContact O-CD2 3.46Å; C85-L168 HydrophobicContact CB-CD1 4.01Å; C85-L168 HydrophobicContact CB-CD2 4.43Å; P116-L168 HydrophobicContact CG-CD2 3.79Å; P116-L168 HydrophobicContact CG-CG 4.1Å; L164-L168 HydrophobicContact CB-CD1 4.47Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.24Å; L164-L168 VanDerWaalsContact O-CG 3.23Å; L164-L168 WeakPolarHBondContact O-CG 2.95Å; L164-L168 PolarHBondContact O-N 2.94Å; A165-L168 PolarHBondContact O-N 3.27Å
169I96.3Very high94.3Very high68 Ų6858 Ų5835%0.34931%0.312SS..Hα-helixtrans-82.7-25.6176.6-58.6-62.7000111.6V9 F11 I59 A165 D171 L174V9-I169 HydrophobicContact CG1-CD1 3.86Å; F11-I169 HydrophobicContact CE2-CD1 3.98Å; F11-I169 HydrophobicContact CZ-CD1 3.8Å; I59-I169 HydrophobicContact CD1-CD1 3.99Å; I59-I169 HydrophobicContact CD1-CG1 3.77Å; A165-I169 VanDerWaalsContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CB 3.4Å; A165-I169 WeakPolarHBondContact O-CG1 3.45Å; A165-I169 PolarHBondContact O-N 2.83Å; I169-D171 HydrophobicContact CG2-CB 4.05Å; I169-L174 HydrophobicContact CB-CD1 4.2Å; I169-L174 HydrophobicContact CG1-CD1 3.88Å; I169-L174 HydrophobicContact CG2-CD1 4.31Å
170G96.7Very high92.8Very high62 Ų6255.8 Ų55.864%0.63931%0.305SS*.THydrogen-bonded Turntrans76.222.2-173.600000113.5R166R166-G170 WeakPolarHBondContact O-CA 3.15Å; R166-G170 PolarHBondContact O-N 3Å
171D96.3Very high91.5Very high28 Ų2860.7 Ų60.715%0.1535%0.346CS..  trans-119.4104.6178.6-174-6.6000110.9R56 R166 I169 N173 L174R56-D171 IonicContact CZ-OD2 3.16Å; R56-D171 IonicContact NE-OD2 2.8Å; R56-D171 PolarHBondContact NE-OD2 3.28Å; R56-D171 IonicContact NH2-OD1 3.37Å; R56-D171 IonicContact NH2-OD2 3.6Å; R56-D171 PolarHBondContact NH2-OD2 3.3Å; R166-D171 WeakPolarHBondContact CG-O 3.3Å; R166-D171 PolarHBondContact O-N 3.1Å; I169-D171 HydrophobicContact CG2-CB 4.05Å; D171-N173 PolarHBondContact O-N 3.3Å; D171-N173 WeakPolarHBondContact OD1-CA 3.11Å; D171-N173 WeakPolarHBondContact OD1-CB 3.32Å; D171-N173 PolarHBondContact OD1-N 2.95Å; D171-L174 HydrophobicContact CB-CB 4.38Å; D171-L174 WeakPolarHBondContact O-CB 3.4Å; D171-L174 PolarHBondContact O-N 3.07Å
172P95.8Very high90.5Very high96 Ų9662.8 Ų62.862%0.62336%0.357SS*.THydrogen-bonded Turntrans-62.8-22.8176-22.534000114.5R166 L174R166-P172 PolarHBondContact NE-O 3.05Å; P172-L174 VanDerWaalsContact C-N 3.32Å
173N96.7Very high89.8Confident111 Ų11163 Ų6359%0.59436%0.364SS*.THydrogen-bonded Turntrans-92.17.3-177.9-55-53.4000112.6N55 D171 E175N55-N173 PolarHBondContact ND2-O 3.37Å; D171-N173 PolarHBondContact O-N 3.3Å; D171-N173 WeakPolarHBondContact OD1-CA 3.11Å; D171-N173 WeakPolarHBondContact OD1-CB 3.32Å; D171-N173 PolarHBondContact OD1-N 2.95Å; N173-E175 PolarHBondContact O-N 2.97Å
174L96.6Very high89.1Confident0 Ų066.2 Ų66.20%039%0.39CS..  trans-64.6132.9172.6-175.7152.4000109.5T54 N55 R56 I59 L162 A165 R166 I169 D171 P172 F176T54-L174 HydrophobicContact CG2-CD2 4.07Å; T54-L174 HydrophobicContact CG2-CG 4.48Å; N55-L174 WeakPolarHBondContact OD1-CA 3.36Å; R56-L174 HydrophobicContact CG-CD1 4.37Å; I59-L174 HydrophobicContact CD1-CD1 3.69Å; L162-L174 HydrophobicContact CD1-CD2 3.74Å; L162-L174 WeakPolarHBondContact CD1-O 3.48Å; A165-L174 HydrophobicContact CB-CD1 4.39Å; A165-L174 HydrophobicContact CB-CD2 3.86Å; R166-L174 HydrophobicContact CG-CB 3.97Å; R166-L174 VanDerWaalsContact CZ-O 3.31Å; R166-L174 PolarHBondContact NE-O 3.03Å; R166-L174 PolarHBondContact NH2-O 3.03Å; I169-L174 HydrophobicContact CB-CD1 4.2Å; I169-L174 HydrophobicContact CG1-CD1 3.88Å; I169-L174 HydrophobicContact CG2-CD1 4.31Å; D171-L174 HydrophobicContact CB-CB 4.38Å; D171-L174 WeakPolarHBondContact O-CB 3.4Å; D171-L174 PolarHBondContact O-N 3.07Å; P172-L174 VanDerWaalsContact C-N 3.32Å; L174-F176 HydrophobicContact CD2-CD1 4.39Å; L174-F176 HydrophobicContact CD2-CE1 4.26Å
175E95.3Very high88.5Confident112 Ų11269 Ų6952%0.52341%0.408SS..  trans-137.1148.1179-67.4-175.7170.200110.5T54 N55 N173T54-E175 CarbonylContact C-O 3.55Å; T54-E175 WeakPolarHBondContact CA-O 3.35Å; T54-E175 VanDerWaalsContact CB-O 3.3Å; T54-E175 WeakPolarHBondContact CB-O 3.45Å; N55-E175 PolarHBondContact N-O 3.02Å; N55-E175 PolarHBondContact OD1-N 2.82Å; N55-E175 PolarHBondContact OD1-O 3.44Å; N173-E175 PolarHBondContact O-N 2.97Å
176F93.5Very high88Confident34 Ų3472.8 Ų72.815%0.14943%0.426CS..BIsolated β-bridgetrans-76.8127.6170-63.5-16.5000109.1F52 H53 T54 E158 F161 L162 A165 L174F52-F176 HydrophobicContact CB-CD1 4.1Å; F52-F176 HydrophobicContact CB-CE1 3.74Å; F52-F176 HydrophobicContact CB-CE2 4.4Å; F52-F176 HydrophobicContact CB-CZ 3.9Å; F52-F176 AromaticContact CD1-CD2 3.89Å; F52-F176 HydrophobicContact CD1-CD2 3.89Å; F52-F176 HydrophobicContact CD1-CE1 4.32Å; F52-F176 AromaticContact CD1-CE2 3.44Å; F52-F176 HydrophobicContact CD1-CE2 3.44Å; F52-F176 VanDerWaalsContact CD1-CE2 3.44Å; F52-F176 HydrophobicContact CD1-CG 4.49Å; F52-F176 AromaticContact CD1-CZ 3.68Å; F52-F176 HydrophobicContact CD1-CZ 3.68Å; F52-F176 HydrophobicContact CD2-CZ 4.45Å; F52-F176 AromaticContact CE1-CE2 3.88Å; F52-F176 HydrophobicContact CE1-CE2 3.88Å; F52-F176 HydrophobicContact CE1-CZ 4.31Å; F52-F176 HydrophobicContact CG-CE1 4.13Å; F52-F176 HydrophobicContact CG-CE2 4.03Å; F52-F176 AromaticContact CG-CZ 3.75Å; F52-F176 HydrophobicContact CG-CZ 3.75Å; H53-F176 WeakPolarHBondContact O-CA 2.9Å; T54-F176 HydrophobicContact CG2-CD1 3.79Å; T54-F176 HydrophobicContact CG2-CE1 4Å; E158-F176 HydrophobicContact CB-CD2 4.21Å; E158-F176 HydrophobicContact CB-CE2 4.1Å; F161-F176 HydrophobicContact CB-CE2 4.15Å; F161-F176 HydrophobicContact CB-CZ 3.94Å; L162-F176 HydrophobicContact CB-CE2 4.02Å; L162-F176 HydrophobicContact CB-CZ 4.05Å; L162-F176 HydrophobicContact CD1-CD1 4Å; L162-F176 HydrophobicContact CD1-CE1 4Å; L162-F176 HydrophobicContact CD1-CG 4.34Å; L162-F176 HydrophobicContact CD1-CZ 4.31Å; A165-F176 HydrophobicContact CB-CE1 4.44Å; L174-F176 HydrophobicContact CD2-CD1 4.39Å; L174-F176 HydrophobicContact CD2-CE1 4.26Å
177V91.4Very high87.6Confident96 Ų9671.6 Ų71.658%0.58243%0.427SS*.SBendtrans-97.3-12.5-176.5-66.10000112.9H53 N55H53-V177 HydrophobicContact CB-CG2 4Å; H53-V177 WeakPolarHBondContact O-CG2 2.95Å; H53-V177 PolarHBondContact O-N 3.09Å; N55-V177 HydrophobicContact CB-CG1 3.8Å
178A77.3Confident87.1Confident49 Ų4971.5 Ų71.541%0.40544%0.437SS..SBendtrans-134.9130.7173.800000108.5H53H53-A178 HydrophobicContact CB-CB 4.32Å
179M67.9Low86.6Confident156 Ų15670.7 Ų70.777%0.76843%0.433SS*.  trans-68.9137.2167.7-60.6-171.695.900108.1A181M179-A181 PolarHBondContact O-N 2.76Å
180P66.3Low86.3Confident32 Ų3271.9 Ų71.921%0.20844%0.44CS..  trans-53.3142.3166.2-0.72.5000107.9F52 E158 L182F52-P180 HydrophobicContact CE1-CG 4.32Å; E158-P180 WeakPolarHBondContact OE1-CD 3.35Å; E158-P180 WeakPolarHBondContact OE1-CG 3.44Å; P180-L182 HydrophobicContact CB-CD2 4.17Å; P180-L182 HydrophobicContact CB-CG 4.16Å; P180-L182 HydrophobicContact CG-CG 4.41Å; P180-L182 PolarHBondContact O-N 3.09Å
181A70.1Confident86Confident104 Ų10473.8 Ų73.886%0.8644%0.441SS*.  trans-68.377.9175.800000109.4M179M179-A181 PolarHBondContact O-N 2.76Å
182L77.3Confident85.8Confident44 Ų4475.8 Ų75.823%0.2346%0.461CS..PPolyproline II helixtrans-84.8139.1178-60.2176.6000109R29 F157 P180R29-L182 WeakPolarHBondContact O-CD2 3.1Å; F157-L182 HydrophobicContact CD1-CD1 3.57Å; F157-L182 HydrophobicContact CD1-CD2 4.31Å; F157-L182 HydrophobicContact CE1-CD1 3.9Å; F157-L182 HydrophobicContact CE1-CD2 3.78Å; P180-L182 HydrophobicContact CB-CD2 4.17Å; P180-L182 HydrophobicContact CB-CG 4.16Å; P180-L182 HydrophobicContact CG-CG 4.41Å; P180-L182 PolarHBondContact O-N 3.09Å
183A82.2Confident85.5Confident40 Ų4073.1 Ų73.133%0.33144%0.441SS..PPolyproline II helixtrans-63.4153.2166.900000109.5G33 N154G33-A183 WeakPolarHBondContact O-CB 3.43Å; G33-A183 PolarHBondContact O-N 3.25Å; N154-A183 PolarHBondContact ND2-O 2.76Å
184P83.8Confident85.1Confident110 Ų11068.4 Ų68.471%0.71442%0.418SS*.PPolyproline II helixtrans-49.1146.7175.2-27.634.9000112R29 E186R29-P184 PolarHBondContact NH2-O 3.43Å; P184-E186 PolarHBondContact O-N 3.12Å
185P84.9Confident84.9Confident57 Ų5771.1 Ų71.137%0.3744%0.44SS..PPolyproline II helixtrans-57.4141.2177.826.4-34.8000110.6S153 V187S153-P185 WeakPolarHBondContact O-CB 3.48Å; P185-V187 PolarHBondContact O-N 2.8Å
186E86.9Confident84.8Confident80 Ų8070.8 Ų70.837%0.37444%0.439SS..SBendtrans-73.1-23.4176.9-71.5-145.3147.900111.9F35 K37 K152 P184F35-E186 HydrophobicContact CB-CG 3.91Å; F35-E186 VanDerWaalsContact CD1-CD 3.5Å; F35-E186 HydrophobicContact CD1-CG 4.16Å; F35-E186 VanDerWaalsContact CD1-OE2 3.27Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.47Å; F35-E186 HydrophobicContact CG-CG 4.18Å; K37-E186 WeakPolarHBondContact CE-OE1 3.33Å; K37-E186 WeakPolarHBondContact CE-OE2 3.39Å; K37-E186 IonicContact NZ-OE1 3.11Å; K37-E186 PolarHBondContact NZ-OE1 3.21Å; K37-E186 VanDerWaalsContact NZ-OE1 3.11Å; K37-E186 IonicContact NZ-OE2 3.78Å; K152-E186 HydrophobicContact CG-CB 3.96Å; K152-E186 PolarHBondContact O-N 3.21Å; P184-E186 PolarHBondContact O-N 3.12Å
187V90Very high84.6Confident55 Ų5569.8 Ų69.833%0.33343%0.434SS..SBendtrans-138.3134.3178.2166.70000107.8K152 S153 P185K152-V187 HydrophobicContact CD-CG2 4.14Å; S153-V187 WeakPolarHBondContact CA-O 3.35Å; S153-V187 WeakPolarHBondContact CB-O 3.48Å; P185-V187 PolarHBondContact O-N 2.8Å
188V87Confident84.6Confident125 Ų12569.1 Ų69.176%0.75842%0.424SS*.PPolyproline II helixtrans-78.4126.7172.2-176.60000108.4
189M87.2Confident85.3Confident26 Ų2671.9 Ų71.913%0.12843%0.429CS..PPolyproline II helixtrans-69.9131168.4-82.4-68.4-62.900109.8V124 D125 S153 Y155 P191 A194 Y197V124-M189 HydrophobicContact CG2-CE 4.37Å; D125-M189 HydrophobicContact CB-SD 4.04Å; S153-M189 WeakPolarHBondContact OG-CG 3.15Å; Y155-M189 HydrophobicContact CG-CG 4.38Å; M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.33Å; M189-A194 HydrophobicContact CE-CB 4.38Å; M189-Y197 HydrophobicContact CE-CD2 4.33Å; M189-Y197 HydrophobicContact CE-CE2 4.19Å
190D89.5Confident86.4Confident93 Ų9367.3 Ų67.350%0.49741%0.408SS..PPolyproline II helixtrans-61.7118.8169.1179.2-7.2000109.3A192 L193 A194D190-A192 PolarHBondContact O-N 3.27Å; D190-A192 WeakPolarHBondContact OD1-CB 3.23Å; D190-A192 PolarHBondContact OD1-N 3.24Å; D190-L193 HydrophobicContact CB-CB 3.93Å; D190-L193 PolarHBondContact O-N 3.3Å; D190-L193 VanDerWaalsContact O-N 3.12Å; D190-A194 PolarHBondContact O-N 3.36Å
191P90Very high87.5Confident102 Ų10266.8 Ų66.866%0.66240%0.403SS*.Hα-helixtrans-57.4-35-179.9-25.134.8000113.5M189 A194 A195M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.33Å; P191-A194 PolarHBondContact O-N 2.99Å; P191-A195 WeakPolarHBondContact O-CB 3.41Å; P191-A195 PolarHBondContact O-N 2.95Å
192A92.6Very high88.5Confident69 Ų6967.6 Ų67.657%0.5739%0.389SS*.Hα-helixtrans-67.9-39.4178.800000111.1D190 Q196D190-A192 PolarHBondContact O-N 3.27Å; D190-A192 WeakPolarHBondContact OD1-CB 3.23Å; D190-A192 PolarHBondContact OD1-N 3.24Å; A192-Q196 WeakPolarHBondContact O-CB 3.33Å; A192-Q196 PolarHBondContact O-N 2.99Å
193L88.8Confident89.1Confident40 Ų4068.7 Ų68.721%0.20940%0.397CS..Hα-helixtrans-69.6-39.5176.3-17562000111.8D190 Q196 Y197D190-L193 HydrophobicContact CB-CB 3.93Å; D190-L193 PolarHBondContact O-N 3.3Å; D190-L193 VanDerWaalsContact O-N 3.12Å; L193-Q196 WeakPolarHBondContact O-CB 3.17Å; L193-Q196 PolarHBondContact O-N 2.88Å; L193-Y197 HydrophobicContact CD1-CE1 3.97Å; L193-Y197 HydrophobicContact CD1-CE2 4.1Å; L193-Y197 HydrophobicContact CD2-CE2 4.02Å; L193-Y197 HydrophobicContact CG-CD2 4.22Å; L193-Y197 HydrophobicContact CG-CE1 4.46Å; L193-Y197 HydrophobicContact CG-CE2 3.68Å; L193-Y197 WeakPolarHBondContact O-CD2 3.33Å; L193-Y197 PolarHBondContact O-N 2.87Å
194A89.5Confident89.4Confident12 Ų1267.3 Ų67.310%0.09939%0.386CS..Hα-helixtrans-61.1-46.1174.600000111.4Y155 M189 D190 P191 Q196 Y197 E198Y155-A194 HydrophobicContact CD2-CB 4.41Å; Y155-A194 HydrophobicContact CE2-CB 3.82Å; M189-A194 HydrophobicContact CE-CB 4.38Å; D190-A194 PolarHBondContact O-N 3.36Å; P191-A194 PolarHBondContact O-N 2.99Å; A194-Q196 VanDerWaalsContact C-N 3.31Å; A194-Q196 PolarHBondContact O-N 3.2Å; A194-Y197 PolarHBondContact O-N 2.89Å; A194-E198 PolarHBondContact O-N 3.25Å
195A91.9Very high89.4Confident57 Ų5766.6 Ų66.647%0.47137%0.373SS..Hα-helixtrans-61.7-39175.100000112.1P191 E198 H199P191-A195 WeakPolarHBondContact O-CB 3.41Å; P191-A195 PolarHBondContact O-N 2.95Å; A195-E198 PolarHBondContact O-N 2.87Å; A195-H199 WeakPolarHBondContact O-CB 3.27Å; A195-H199 PolarHBondContact O-N 2.62Å
196Q92.1Very high89.5Confident105 Ų10569.6 Ų69.649%0.49139%0.39SS..Hα-helixtrans-62.4-44.2174.5-176.4178.418.600111.9A192 L193 A194 E198 H199 D200A192-Q196 WeakPolarHBondContact O-CB 3.33Å; A192-Q196 PolarHBondContact O-N 2.99Å; L193-Q196 WeakPolarHBondContact O-CB 3.17Å; L193-Q196 PolarHBondContact O-N 2.88Å; A194-Q196 VanDerWaalsContact C-N 3.31Å; A194-Q196 PolarHBondContact O-N 3.2Å; Q196-E198 VanDerWaalsContact C-N 3.34Å; Q196-E198 PolarHBondContact O-N 3.28Å; Q196-H199 PolarHBondContact O-N 3.09Å; Q196-D200 WeakPolarHBondContact O-CB 3.5Å; Q196-D200 VanDerWaalsContact O-CG 3.31Å; Q196-D200 PolarHBondContact O-N 2.69Å
197Y90.3Very high89.4Confident13 Ų1369.3 Ų69.35%0.05139%0.394CS..Hα-helixtrans-64-38.7177.3-69.2-32.2000112.6V124 M189 L193 A194 D200 L201V124-Y197 HydrophobicContact CB-CD2 4.41Å; V124-Y197 HydrophobicContact CB-CE2 4Å; V124-Y197 PolarHBondContact O-OH 3.28Å; M189-Y197 HydrophobicContact CE-CD2 4.33Å; M189-Y197 HydrophobicContact CE-CE2 4.19Å; L193-Y197 HydrophobicContact CD1-CE1 3.97Å; L193-Y197 HydrophobicContact CD1-CE2 4.1Å; L193-Y197 HydrophobicContact CD2-CE2 4.02Å; L193-Y197 HydrophobicContact CG-CD2 4.22Å; L193-Y197 HydrophobicContact CG-CE1 4.46Å; L193-Y197 HydrophobicContact CG-CE2 3.68Å; L193-Y197 WeakPolarHBondContact O-CD2 3.33Å; L193-Y197 PolarHBondContact O-N 2.87Å; A194-Y197 PolarHBondContact O-N 2.89Å; Y197-D200 PolarHBondContact O-N 2.79Å; Y197-L201 WeakPolarHBondContact O-CB 3.3Å; Y197-L201 VanDerWaalsContact O-CG 3.26Å; Y197-L201 WeakPolarHBondContact O-CG 3.21Å; Y197-L201 PolarHBondContact O-N 3.37Å
198E91Very high89.2Confident82 Ų8270.7 Ų70.738%0.38341%0.412SS..Hα-helixtrans-62.8-47174.7-72.7175.2-176.600111.1Y155 A194 A195 Q196 D200 L201 E202Y155-E198 WeakPolarHBondContact OH-CG 3.35Å; Y155-E198 PolarHBondContact OH-OE1 3Å; A194-E198 PolarHBondContact O-N 3.25Å; A195-E198 PolarHBondContact O-N 2.87Å; Q196-E198 VanDerWaalsContact C-N 3.34Å; Q196-E198 PolarHBondContact O-N 3.28Å; E198-D200 PolarHBondContact O-N 3.32Å; E198-L201 PolarHBondContact O-N 3.45Å; E198-E202 WeakPolarHBondContact O-CG 3.33Å; E198-E202 PolarHBondContact O-N 3.07Å
199H92.3Very high89Confident108 Ų10867.7 Ų67.750%0.539%0.391SS..Hα-helixtrans-60.7-46.8175.8-176.763.4000112.5A195 Q196 L201 E202 V203A195-H199 WeakPolarHBondContact O-CB 3.27Å; A195-H199 PolarHBondContact O-N 2.62Å; Q196-H199 PolarHBondContact O-N 3.09Å; H199-L201 PolarHBondContact O-N 2.82Å; H199-E202 PolarHBondContact O-N 2.58Å; H199-V203 WeakPolarHBondContact O-CG2 3.15Å; H199-V203 PolarHBondContact O-N 2.97Å
200D91.2Very high88.6Confident60 Ų6070.2 Ų70.232%0.32141%0.409SS..Hα-helixtrans-59.6-33.2178.1-79.1-6.1000111.7A133 Q196 Y197 E198 A204A133-D200 HydrophobicContact CB-CB 3.87Å; Q196-D200 WeakPolarHBondContact O-CB 3.5Å; Q196-D200 VanDerWaalsContact O-CG 3.31Å; Q196-D200 PolarHBondContact O-N 2.69Å; Y197-D200 PolarHBondContact O-N 2.79Å; E198-D200 PolarHBondContact O-N 3.32Å; D200-A204 VanDerWaalsContact O-CB 3.29Å; D200-A204 WeakPolarHBondContact O-CB 2.82Å; D200-A204 PolarHBondContact O-N 3.44Å
201L89.5Confident87.8Confident20 Ų2072.4 Ų72.411%0.10542%0.421CS..Hα-helixtrans-73.8-41.8176.1-74.6170.5000112.8A133 Y146 D148 Y197 E198 H199 V203 A204 Q205A133-L201 HydrophobicContact CB-CD2 3.74Å; A133-L201 HydrophobicContact CB-CG 4.13Å; Y146-L201 HydrophobicContact CD1-CD1 4.4Å; Y146-L201 HydrophobicContact CD1-CD2 3.58Å; Y146-L201 HydrophobicContact CE1-CD1 4.05Å; Y146-L201 HydrophobicContact CE1-CD2 3.33Å; Y146-L201 HydrophobicContact CE1-CG 4.34Å; D148-L201 HydrophobicContact CB-CD1 4.15Å; Y197-L201 WeakPolarHBondContact O-CB 3.3Å; Y197-L201 VanDerWaalsContact O-CG 3.26Å; Y197-L201 WeakPolarHBondContact O-CG 3.21Å; Y197-L201 PolarHBondContact O-N 3.37Å; E198-L201 PolarHBondContact O-N 3.45Å; H199-L201 PolarHBondContact O-N 2.82Å; L201-V203 VanDerWaalsContact C-N 3.33Å; L201-A204 PolarHBondContact O-N 3.06Å; L201-Q205 VanDerWaalsContact O-CG 3.3Å; L201-Q205 WeakPolarHBondContact O-CG 3.33Å; L201-Q205 PolarHBondContact O-N 3.48Å
202E90.8Very high86.4Confident121 Ų12175.7 Ų75.757%0.56543%0.427SS*.Hα-helixtrans-60.2-44.3174.1-71.9176.2173.400111.4E198 H199 Q205 T206E198-E202 WeakPolarHBondContact O-CG 3.33Å; E198-E202 PolarHBondContact O-N 3.07Å; H199-E202 PolarHBondContact O-N 2.58Å; E202-Q205 PolarHBondContact O-N 2.81Å; E202-T206 PolarHBondContact O-N 3.2Å; E202-T206 PolarHBondContact O-OG1 3.39Å
203V89.8Confident84.3Confident67 Ų6779.5 Ų79.541%0.40644%0.438SS..Hα-helixtrans-61.1-48.6174.4174.80000110.1H199 L201 Q205 T206 T207H199-V203 WeakPolarHBondContact O-CG2 3.15Å; H199-V203 PolarHBondContact O-N 2.97Å; L201-V203 VanDerWaalsContact C-N 3.33Å; V203-Q205 PolarHBondContact O-N 3.05Å; V203-T206 PolarHBondContact O-N 3.29Å; V203-T206 PolarHBondContact O-OG1 3.14Å; V203-T207 PolarHBondContact O-N 2.7Å; V203-T207 PolarHBondContact O-OG1 2.94Å
204A87.9Confident82.4Confident11 Ų1185 Ų859%0.09147%0.467CS..Hα-helixtrans-62.7-28179.500000114A133 R140 D200 L201 T206A133-A204 HydrophobicContact CB-CB 4.46Å; R140-A204 PolarHBondContact NH1-O 3.22Å; D200-A204 VanDerWaalsContact O-CB 3.29Å; D200-A204 WeakPolarHBondContact O-CB 2.82Å; D200-A204 PolarHBondContact O-N 3.44Å; L201-A204 PolarHBondContact O-N 3.06Å; A204-T206 VanDerWaalsContact C-N 3.32Å
205Q84.9Confident80Confident96 Ų9692.1 Ų92.145%0.44950%0.504SS..Hα-helixtrans-69.8-29.1175-77174.87.800112.7R140 L201 E202 V203R140-Q205 PolarHBondContact NE-O 3.45Å; R140-Q205 PolarHBondContact NH1-O 3.36Å; R140-Q205 PolarHBondContact NH2-O 3.05Å; L201-Q205 VanDerWaalsContact O-CG 3.3Å; L201-Q205 WeakPolarHBondContact O-CG 3.33Å; L201-Q205 PolarHBondContact O-N 3.48Å; E202-Q205 PolarHBondContact O-N 2.81Å; V203-Q205 PolarHBondContact O-N 3.05Å
206T86.1Confident77.3Confident120 Ų120101 Ų10174%0.73654%0.542SS*.Hα-helixtrans-96.8-17.7-177.855.80000113.8E202 V203 A204E202-T206 PolarHBondContact O-N 3.2Å; E202-T206 PolarHBondContact O-OG1 3.39Å; V203-T206 PolarHBondContact O-N 3.29Å; V203-T206 PolarHBondContact O-OG1 3.14Å; A204-T206 VanDerWaalsContact C-N 3.32Å
207T86.1Confident76.6Confident73 Ų73100.8 Ų100.845%0.44855%0.545SS..SBendtrans-60.8146.6174.9-52.50000112.1R140 V203R140-T207 VanDerWaalsContact CZ-O 3.22Å; R140-T207 PolarHBondContact NH1-O 2.88Å; R140-T207 PolarHBondContact NH2-O 3.21Å; V203-T207 PolarHBondContact O-N 2.7Å; V203-T207 PolarHBondContact O-OG1 2.94Å
208A85Confident75.8Confident85 Ų85105.4 Ų105.470%0.70257%0.571SS**PPolyproline II helixtrans-61.4143.4172.500000111.4
209L83.6Confident75Confident62 Ų62106.7 Ų106.733%0.32558%0.581SS.*PPolyproline II helixtrans-71.4140.3171-69.6173.1000108.6V137 R140 K141V137-L209 HydrophobicContact CB-CD2 3.81Å; V137-L209 HydrophobicContact CG1-CD2 4.14Å; R140-L209 HydrophobicContact CB-CD1 4.41Å; R140-L209 HydrophobicContact CB-CD2 4.06Å; K141-L209 HydrophobicContact CG-CD1 4.29Å; K141-L209 HydrophobicContact CG-CD2 4.39Å
210P77.3Confident74Confident78 Ų78106.6 Ų106.651%0.50659%0.586SS.*PPolyproline II helixtrans-62.1140171.725.4-31.9000109.9
211D73.3Confident72.9Confident139 Ų139109.6 Ų109.674%0.74360%0.603SS**PPolyproline II helixtrans-58.1146.7179.4-64.1-42.1000110.7D213D211-D213 PolarHBondContact O-N 3.34Å; D211-D213 VanDerWaalsContact O-N 3.08Å
212E59.9Low71.8Confident171 Ų171115.5 Ų115.580%0.79964%0.636SS**G310 helixtrans-68.7-5.7-170.6-67.6-166.3137.400114.3D214E212-D214 PolarHBondContact O-N 3.11Å
213D49.8Very low70.5Confident149 Ų149115.1 Ų115.180%0.79764%0.641SS**G310 helixtrans-82.5-1-166.7-69.9-27.5000115.8D211D211-D213 PolarHBondContact O-N 3.34Å; D211-D213 VanDerWaalsContact O-N 3.08Å
214D48Very low69Low155 Ų155118.8 Ų118.883%0.82966%0.659SS**G310 helixtrans-93.61.4-176.3-94.4-16.9000115.5E212E212-D214 PolarHBondContact O-N 3.11Å
215D38.7Very low67.4Low162 Ų162127.8 Ų127.887%0.86671%0.707SS**  trans-131.673.6176.3-74.6-47.4000111.8
216L36Very low65.8Low244 Ų244130.7 Ų130.7100%1.27773%0.73SS**  trans-122.30157.3-94.1168.8000110.6

Retrieved 216 of 216 residues in 86.8 ms (Link to these results)