A0A3Q0KI36_SCHMA Loading...

UPF0020 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KI36, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 480 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
1M89.2Confident90.9Very high137 Ų13748.8 Ų48.868%0.67527%0.273SS*.  0151.60-71.9-174.4-78.300108.7E49 M50M1-E49 HydrophobicContact CB-CB 4Å; M1-E49 HydrophobicContact SD-CB 4.42Å; M1-M50 CarbonylContact C-O 3.59Å; M1-M50 WeakPolarHBondContact CA-O 3.5Å; M1-M50 WeakPolarHBondContact CB-O 3.42Å
2K96.1Very high89.9Confident93 Ų9348.8 Ų48.840%0.40427%0.269SS..EExtended strand (participates in β ladder)trans-95.4151.1175-66.2176.1179-178.80109.6Y4 E49 M50K2-Y4 HydrophobicContact CB-CD2 4.45Å; K2-Y4 HydrophobicContact CB-CE2 3.62Å; K2-Y4 WeakPolarHBondContact CD-OH 3.49Å; K2-Y4 WeakPolarHBondContact O-CD2 3.25Å; K2-Y4 WeakPolarHBondContact O-CE2 3.3Å; K2-E49 VanDerWaalsContact O-CA 3.24Å; K2-E49 WeakPolarHBondContact O-CA 3.41Å; K2-M50 PolarHBondContact N-O 3.32Å; K2-M50 PolarHBondContact O-N 3.38Å
3K97.9Very high89.9Confident109 Ų10947.8 Ų47.847%0.47426%0.261SS..EExtended strand (participates in β ladder)trans-89.5137.5176.4-70.9-179.7178.5-1770110.7I48 E49 H71 L72K3-I48 CarbonylContact C-O 3.54Å; K3-I48 WeakPolarHBondContact CA-O 3.48Å; K3-E49 WeakPolarHBondContact CE-OE1 3.31Å; K3-E49 HydrophobicContact CG-CG 3.69Å; K3-H71 PolarHBondContact O-CD2 3.36Å; K3-L72 HydrophobicContact CB-CB 3.97Å; K3-L72 HydrophobicContact CB-CD2 4.11Å; K3-L72 HydrophobicContact CB-CG 4.48Å; K3-L72 WeakPolarHBondContact O-CB 3.39Å; K3-L72 PolarHBondContact O-N 2.79Å
4Y98.4Very high89.9Confident0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-132.1160.3178.6-61.9-86.6000110.6K2 V47 I48 M50 N52 D53 V56 F70 H71 I178K2-Y4 HydrophobicContact CB-CD2 4.45Å; K2-Y4 HydrophobicContact CB-CE2 3.62Å; K2-Y4 WeakPolarHBondContact CD-OH 3.49Å; K2-Y4 WeakPolarHBondContact O-CD2 3.25Å; K2-Y4 WeakPolarHBondContact O-CE2 3.3Å; Y4-V47 CarbonylContact O-C 3.59Å; Y4-V47 VanDerWaalsContact O-CA 3.28Å; Y4-V47 WeakPolarHBondContact O-CA 3.34Å; Y4-I48 PolarHBondContact N-O 2.98Å; Y4-I48 PolarHBondContact O-N 2.8Å; Y4-M50 HydrophobicContact CD2-CB 4.07Å; Y4-M50 HydrophobicContact CE2-CB 4Å; Y4-N52 WeakPolarHBondContact OH-CA 3.31Å; Y4-N52 PolarHBondContact OH-O 2.79Å; Y4-D53 WeakPolarHBondContact CE1-OD1 3.39Å; Y4-D53 PolarHBondContact OH-N 3.26Å; Y4-D53 VanDerWaalsContact OH-N 3.14Å; Y4-D53 PolarHBondContact OH-OD1 3.06Å; Y4-V56 HydrophobicContact CD1-CB 4.48Å; Y4-V56 HydrophobicContact CD1-CG1 4.48Å; Y4-V56 HydrophobicContact CD1-CG2 3.7Å; Y4-V56 HydrophobicContact CD2-CG2 3.61Å; Y4-V56 HydrophobicContact CE1-CG2 3.84Å; Y4-V56 HydrophobicContact CE2-CG2 3.74Å; Y4-V56 HydrophobicContact CG-CG2 3.59Å; Y4-F70 CarbonylContact C-O 3.6Å; Y4-F70 WeakPolarHBondContact CA-O 3.07Å; Y4-F70 WeakPolarHBondContact CB-O 3.48Å; Y4-H71 HydrophobicContact CD1-CB 4.15Å; Y4-H71 HydrophobicContact CE1-CB 3.99Å; Y4-H71 AromaticContact CE1-CD2 3.97Å; Y4-I178 HydrophobicContact CD1-CG1 4.06Å; Y4-I178 HydrophobicContact CE1-CD1 4.21Å; Y4-I178 HydrophobicContact CE1-CG1 3.99Å
5V98Very high89.9Confident1 Ų145.3 Ų45.31%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-119.2124.5172.4-175.30000109.5F45 V46 V47 A69 F70 L72 L150 L173V5-F45 HydrophobicContact CG1-CB 3.85Å; V5-F45 HydrophobicContact CG1-CD1 4.41Å; V5-F45 HydrophobicContact CG1-CG 4.5Å; V5-V46 CarbonylContact C-O 3.48Å; V5-V46 WeakPolarHBondContact CA-O 3.27Å; V5-V47 HydrophobicContact CG2-CG2 4.27Å; V5-A69 CarbonylContact O-C 3.59Å; V5-A69 VanDerWaalsContact O-CA 3.25Å; V5-A69 WeakPolarHBondContact O-CA 3.46Å; V5-F70 HydrophobicContact CB-CB 4.43Å; V5-F70 HydrophobicContact CB-CD2 4.26Å; V5-F70 PolarHBondContact N-O 3.1Å; V5-F70 PolarHBondContact O-N 2.77Å; V5-L72 HydrophobicContact CG2-CB 4.01Å; V5-L72 HydrophobicContact CG2-CD1 3.65Å; V5-L72 HydrophobicContact CG2-CD2 4.09Å; V5-L72 HydrophobicContact CG2-CG 4.13Å; V5-L150 HydrophobicContact CB-CD1 4.39Å; V5-L150 HydrophobicContact CG1-CD1 3.85Å; V5-L173 HydrophobicContact CG1-CD1 3.84Å; V5-L173 HydrophobicContact CG2-CB 4.45Å; V5-L173 HydrophobicContact CG2-CD1 4.11Å; V5-L173 HydrophobicContact CG2-CD2 4.3Å
6F97.2Very high90.2Very high0 Ų042.6 Ų42.60%023%0.233CC..EExtended strand (participates in β ladder)trans-89.7121.3162.6-65.1-27.7000110.3F8 F21 F45 V46 I48 M50 V56 I59 I60 I66 A69F6-F8 HydrophobicContact CB-CD2 4.43Å; F6-F8 HydrophobicContact CB-CE2 3.65Å; F6-F8 HydrophobicContact CB-CZ 4.03Å; F6-F21 HydrophobicContact CD2-CD2 4.34Å; F6-F21 AromaticContact CE2-CD2 3.53Å; F6-F21 HydrophobicContact CE2-CD2 3.53Å; F6-F21 AromaticContact CE2-CE2 3.52Å; F6-F21 HydrophobicContact CE2-CE2 3.52Å; F6-F21 HydrophobicContact CE2-CG 4.43Å; F6-F21 HydrophobicContact CE2-CZ 4.4Å; F6-F21 HydrophobicContact CZ-CD2 4.3Å; F6-F21 HydrophobicContact CZ-CE2 4.03Å; F6-F45 WeakPolarHBondContact O-CA 3.47Å; F6-V46 PolarHBondContact N-O 3.4Å; F6-V46 PolarHBondContact O-N 2.66Å; F6-I48 HydrophobicContact CD2-CG2 4.1Å; F6-I48 HydrophobicContact CE1-CG2 4.28Å; F6-I48 HydrophobicContact CE2-CD1 3.96Å; F6-I48 HydrophobicContact CE2-CG2 3.76Å; F6-I48 HydrophobicContact CZ-CG2 3.87Å; F6-M50 HydrophobicContact CZ-SD 4.23Å; F6-V56 HydrophobicContact CE1-CG1 4.06Å; F6-I59 HydrophobicContact CZ-CG2 4.26Å; F6-I60 HydrophobicContact CE1-CG2 4.24Å; F6-I66 HydrophobicContact CB-CD1 4.42Å; F6-I66 HydrophobicContact CB-CG1 4.29Å; F6-I66 HydrophobicContact CB-CG2 4.12Å; F6-I66 HydrophobicContact CD1-CD1 4.19Å; F6-I66 HydrophobicContact CD1-CG2 4.17Å; F6-I66 HydrophobicContact CD2-CD1 3.74Å; F6-I66 HydrophobicContact CD2-CG1 4.41Å; F6-I66 HydrophobicContact CE1-CD1 4.39Å; F6-I66 HydrophobicContact CE2-CD1 3.97Å; F6-I66 HydrophobicContact CG-CD1 3.86Å; F6-I66 HydrophobicContact CG-CG1 4.26Å; F6-I66 HydrophobicContact CG-CG2 4.25Å; F6-I66 HydrophobicContact CZ-CD1 4.29Å; F6-A69 HydrophobicContact CD1-CB 3.73Å; F6-A69 HydrophobicContact CE1-CB 3.87Å
7S96.3Very high90.4Very high9 Ų940.1 Ų40.16%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-92.1130.6168.8174.60000110.4P44 F45 K67 S68S7-P44 WeakPolarHBondContact CA-O 3.49Å; S7-F45 WeakPolarHBondContact OG-CE1 3.31Å; S7-K67 WeakPolarHBondContact O-CB 3.39Å; S7-K67 PolarHBondContact O-N 3.11Å; S7-S68 PolarHBondContact N-O 3.48Å
8F94.6Very high90.5Very high8 Ų839.6 Ų39.64%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-110.6159.6174.7-63.9-89.8000111.3F6 A10 R17 W41 P44 V46 L65 I66F6-F8 HydrophobicContact CB-CD2 4.43Å; F6-F8 HydrophobicContact CB-CE2 3.65Å; F6-F8 HydrophobicContact CB-CZ 4.03Å; F8-A10 PolarHBondContact O-N 3.37Å; F8-R17 HydrophobicContact CD1-CB 4.23Å; F8-R17 VanDerWaalsContact CD1-CD 3.46Å; F8-R17 HydrophobicContact CD1-CG 3.54Å; F8-R17 HydrophobicContact CE1-CB 3.74Å; F8-R17 HydrophobicContact CE1-CG 3.57Å; F8-R17 HydrophobicContact CG-CG 4.19Å; F8-R17 HydrophobicContact CZ-CB 4.07Å; F8-R17 HydrophobicContact CZ-CG 4.26Å; F8-W41 HydrophobicContact CE2-CZ3 4.48Å; F8-W41 HydrophobicContact CZ-CE3 4.43Å; F8-W41 AromaticContact CZ-CZ3 3.96Å; F8-W41 HydrophobicContact CZ-CZ3 3.96Å; F8-P44 PolarHBondContact N-O 3.18Å; F8-V46 HydrophobicContact CD2-CG2 4.16Å; F8-V46 HydrophobicContact CE2-CB 4.06Å; F8-V46 HydrophobicContact CE2-CG2 3.7Å; F8-L65 HydrophobicContact CD1-CB 4.02Å; F8-L65 WeakPolarHBondContact CD1-O 3.47Å; F8-L65 HydrophobicContact CE1-CB 4.11Å; F8-I66 HydrophobicContact CD1-CG1 4.2Å; F8-I66 HydrophobicContact CE1-CB 4.27Å; F8-I66 HydrophobicContact CE1-CG1 3.38Å; F8-I66 HydrophobicContact CE2-CG1 4.49Å; F8-I66 HydrophobicContact CZ-CD1 4.4Å; F8-I66 HydrophobicContact CZ-CG1 3.56Å
9A83.2Confident90.7Very high32 Ų3237.7 Ų37.726%0.26420%0.203SC..  trans-66.2125.2161.700000109S11 E12 R17A9-S11 PolarHBondContact O-N 3.38Å; A9-E12 HydrophobicContact CB-CB 4.27Å; A9-E12 PolarHBondContact O-N 3.25Å; A9-R17 PolarHBondContact O-NH2 3.27Å
10A72.5Confident91Very high36 Ų3635.9 Ų35.930%0.29819%0.193SC..THydrogen-bonded Turntrans-54-33.6-162.500000115.3F8 R17 P44F8-A10 PolarHBondContact O-N 3.37Å; A10-R17 PolarHBondContact O-NH2 3.1Å; A10-R17 VanDerWaalsContact O-NH2 3.15Å; A10-P44 HydrophobicContact CB-CB 4.43Å
11S76.3Confident91.2Very high112 Ų11234.1 Ų34.178%0.78318%0.184SC*.THydrogen-bonded Turntrans-124.80.7-169.7600000115.3A9A9-S11 PolarHBondContact O-N 3.38Å
12E79.2Confident91.5Very high49 Ų4929.9 Ų29.923%0.22916%0.162CC..SBendtrans-93.4125.1-175.7-174.6179.7-176.600110.6A9 V14 R183 T206A9-E12 HydrophobicContact CB-CB 4.27Å; A9-E12 PolarHBondContact O-N 3.25Å; E12-V14 PolarHBondContact O-N 3.17Å; E12-R183 IonicContact OE2-CZ 3.29Å; E12-R183 IonicContact OE2-NE 2.71Å; E12-R183 IonicContact OE2-NH2 3.77Å; E12-R183 PolarHBondContact OE2-NH2 2.9Å; E12-T206 PolarHBondContact OE1-OG1 3.43Å
13F89.5Confident91.5Very high36 Ų3625.5 Ų25.516%0.15814%0.143CC..SBendtrans42.144.3174.2-56.2-58.3000113.9N15 F16 L65 T206 L207 I210F13-N15 VanDerWaalsContact C-N 3.25Å; F13-N15 PolarHBondContact O-N 3.48Å; F13-F16 HydrophobicContact CB-CB 4.08Å; F13-F16 HydrophobicContact CB-CD2 3.61Å; F13-F16 HydrophobicContact CB-CE2 4.37Å; F13-F16 HydrophobicContact CB-CG 4.04Å; F13-F16 HydrophobicContact CD1-CD2 4.11Å; F13-F16 HydrophobicContact CD1-CE2 4.04Å; F13-F16 HydrophobicContact CG-CD2 4.29Å; F13-F16 WeakPolarHBondContact O-CB 3.41Å; F13-F16 PolarHBondContact O-N 3.27Å; F13-L65 HydrophobicContact CB-CD2 3.82Å; F13-L65 HydrophobicContact CD2-CD2 4.19Å; F13-T206 HydrophobicContact CD2-CG2 3.88Å; F13-T206 HydrophobicContact CE2-CG2 3.89Å; F13-L207 HydrophobicContact CD1-CD2 3.69Å; F13-L207 HydrophobicContact CD2-CD2 4.39Å; F13-L207 HydrophobicContact CE1-CD1 4.11Å; F13-L207 HydrophobicContact CE1-CD2 3.33Å; F13-L207 HydrophobicContact CE1-CG 3.81Å; F13-L207 HydrophobicContact CE2-CD2 4.11Å; F13-L207 HydrophobicContact CE2-CG 4.2Å; F13-L207 HydrophobicContact CG-CD2 4.24Å; F13-L207 HydrophobicContact CZ-CD1 4.08Å; F13-L207 HydrophobicContact CZ-CD2 3.58Å; F13-L207 HydrophobicContact CZ-CG 3.59Å; F13-I210 HydrophobicContact CB-CD1 4.24Å; F13-I210 HydrophobicContact CD2-CD1 4.07Å; F13-I210 HydrophobicContact CG-CD1 4.2Å
14V90.7Very high91.5Very high26 Ų2620.4 Ų20.416%0.15812%0.121CC..G310 helixtrans-54.2-42.7-170.9179.80000112E12 F16 R17 L42E12-V14 PolarHBondContact O-N 3.17Å; V14-F16 VanDerWaalsContact C-N 3.26Å; V14-F16 PolarHBondContact O-N 3.27Å; V14-R17 WeakPolarHBondContact O-CD 3.32Å; V14-R17 VanDerWaalsContact O-CG 3.27Å; V14-R17 WeakPolarHBondContact O-CG 3.25Å; V14-R17 PolarHBondContact O-N 3.48Å; V14-L42 VanDerWaalsContact CG1-CA 3.49Å; V14-L42 HydrophobicContact CG1-CB 4.08Å; V14-L42 HydrophobicContact CG1-CD2 3.49Å; V14-L42 VanDerWaalsContact CG1-CD2 3.49Å; V14-L42 HydrophobicContact CG1-CG 4.39Å
15N89.9Confident91.4Very high32 Ų3220.5 Ų20.517%0.17112%0.121CC..G310 helixtrans-77.5-1.3179.360.3-46.6000115.3F13 C438 E439 A476 Y478F13-N15 VanDerWaalsContact C-N 3.25Å; F13-N15 PolarHBondContact O-N 3.48Å; N15-C438 PolarHBondContact O-SG 3.15Å; N15-C438 VanDerWaalsContact O-SG 3.37Å; N15-E439 PolarHBondContact ND2-N 3.25Å; N15-E439 PolarHBondContact ND2-O 3.44Å; N15-A476 HydrophobicContact CB-CB 3.57Å; N15-A476 WeakPolarHBondContact ND2-CB 3.36Å; N15-Y478 HydrophobicContact CB-CE2 3.98Å
16F93.8Very high91.4Very high1 Ų124.7 Ų24.70%0.00414%0.141CC..G310 helixtrans-97.5-13.3175.8-63.2-105.6000111.8F13 V14 W18 I19 E20 L65 I210 W412 C438 Q440 L450F13-F16 HydrophobicContact CB-CB 4.08Å; F13-F16 HydrophobicContact CB-CD2 3.61Å; F13-F16 HydrophobicContact CB-CE2 4.37Å; F13-F16 HydrophobicContact CB-CG 4.04Å; F13-F16 HydrophobicContact CD1-CD2 4.11Å; F13-F16 HydrophobicContact CD1-CE2 4.04Å; F13-F16 HydrophobicContact CG-CD2 4.29Å; F13-F16 WeakPolarHBondContact O-CB 3.41Å; F13-F16 PolarHBondContact O-N 3.27Å; V14-F16 VanDerWaalsContact C-N 3.26Å; V14-F16 PolarHBondContact O-N 3.27Å; F16-W18 PolarHBondContact O-N 3.49Å; F16-I19 VanDerWaalsContact O-CG2 3.22Å; F16-I19 WeakPolarHBondContact O-CG2 3.44Å; F16-I19 PolarHBondContact O-N 2.94Å; F16-E20 WeakPolarHBondContact O-CB 3.27Å; F16-E20 PolarHBondContact O-N 3.11Å; F16-L65 HydrophobicContact CB-CD1 3.77Å; F16-I210 HydrophobicContact CB-CD1 4.29Å; F16-I210 HydrophobicContact CB-CG2 4.43Å; F16-I210 HydrophobicContact CD1-CG2 4.1Å; F16-W412 AromaticContact CE1-CH2 3.79Å; F16-W412 HydrophobicContact CE1-CH2 3.79Å; F16-W412 HydrophobicContact CE1-CZ2 4.43Å; F16-W412 AromaticContact CZ-CH2 3.74Å; F16-W412 HydrophobicContact CZ-CH2 3.74Å; F16-W412 HydrophobicContact CZ-CZ3 4.36Å; F16-C438 HydrophobicContact CD1-CB 3.72Å; F16-C438 HydrophobicContact CD2-CB 4.3Å; F16-C438 HydrophobicContact CE1-CB 3.47Å; F16-C438 VanDerWaalsContact CE1-CB 3.47Å; F16-C438 HydrophobicContact CE2-CB 4.07Å; F16-C438 HydrophobicContact CG-CB 4.14Å; F16-C438 HydrophobicContact CZ-CB 3.63Å; F16-Q440 HydrophobicContact CZ-CB 4.44Å; F16-L450 HydrophobicContact CD1-CD2 3.85Å; F16-L450 HydrophobicContact CE1-CB 3.78Å; F16-L450 HydrophobicContact CE1-CD2 3.68Å; F16-L450 HydrophobicContact CE1-CG 4.38Å
17R94.3Very high91.3Very high1 Ų125.8 Ų25.80%0.00415%0.146CC..Hα-helixtrans-58.8-45.8-174-64.6173.2-178.9163.1-0.2112.6F8 A9 A10 V14 F21 W41 L42 R43 L65F8-R17 HydrophobicContact CD1-CB 4.23Å; F8-R17 VanDerWaalsContact CD1-CD 3.46Å; F8-R17 HydrophobicContact CD1-CG 3.54Å; F8-R17 HydrophobicContact CE1-CB 3.74Å; F8-R17 HydrophobicContact CE1-CG 3.57Å; F8-R17 HydrophobicContact CG-CG 4.19Å; F8-R17 HydrophobicContact CZ-CB 4.07Å; F8-R17 HydrophobicContact CZ-CG 4.26Å; A9-R17 PolarHBondContact O-NH2 3.27Å; A10-R17 PolarHBondContact O-NH2 3.1Å; A10-R17 VanDerWaalsContact O-NH2 3.15Å; V14-R17 WeakPolarHBondContact O-CD 3.32Å; V14-R17 VanDerWaalsContact O-CG 3.27Å; V14-R17 WeakPolarHBondContact O-CG 3.25Å; V14-R17 PolarHBondContact O-N 3.48Å; R17-F21 WeakPolarHBondContact O-CB 3.15Å; R17-F21 PolarHBondContact O-N 3.2Å; R17-W41 HydrophobicContact CB-CE3 3.83Å; R17-W41 HydrophobicContact CB-CZ3 4.3Å; R17-W41 WeakPolarHBondContact CD-O 3.29Å; R17-W41 PolarHBondContact NH1-O 3.24Å; R17-L42 PolarHBondContact NH1-O 3.42Å; R17-R43 PolarHBondContact NH1-O 2.92Å; R17-L65 HydrophobicContact CG-CB 4.43Å; R17-L65 HydrophobicContact CG-CD1 4.16Å
18W92.9Very high91.3Very high31 Ų3129.4 Ų29.412%0.11716%0.162CC..Hα-helixtrans-64.2-50.3-179172-133.7000112F16 E20 F21 K22 Y32 V34 E36 W41 I473F16-W18 PolarHBondContact O-N 3.49Å; W18-E20 VanDerWaalsContact C-N 3.34Å; W18-E20 PolarHBondContact O-N 3.48Å; W18-F21 AromaticContact CE3-CD1 3.93Å; W18-F21 HydrophobicContact CE3-CD1 3.93Å; W18-F21 AromaticContact CZ3-CD1 3.73Å; W18-F21 HydrophobicContact CZ3-CD1 3.73Å; W18-F21 HydrophobicContact CZ3-CE1 4.04Å; W18-F21 PolarHBondContact O-N 3.09Å; W18-K22 HydrophobicContact CE3-CB 4.43Å; W18-K22 HydrophobicContact CH2-CD 4.29Å; W18-K22 HydrophobicContact CZ2-CD 3.81Å; W18-K22 HydrophobicContact CZ3-CB 4.44Å; W18-K22 WeakPolarHBondContact O-CB 3.42Å; W18-K22 PolarHBondContact O-N 2.85Å; W18-Y32 HydrophobicContact CH2-CE2 4.06Å; W18-Y32 HydrophobicContact CZ3-CE2 4.2Å; W18-V34 HydrophobicContact CH2-CG1 4.09Å; W18-V34 HydrophobicContact CZ3-CG1 3.82Å; W18-E36 HydrophobicContact CH2-CG 3.94Å; W18-E36 HydrophobicContact CZ2-CG 3.97Å; W18-W41 HydrophobicContact CB-CD2 3.87Å; W18-W41 HydrophobicContact CB-CE3 4.12Å; W18-W41 HydrophobicContact CB-CG 4.02Å; W18-W41 HydrophobicContact CD2-CZ2 4.34Å; W18-W41 HydrophobicContact CE3-CD2 4.15Å; W18-W41 AromaticContact CE3-CE2 3.4Å; W18-W41 AromaticContact CE3-CH2 3.83Å; W18-W41 HydrophobicContact CE3-CH2 3.83Å; W18-W41 AromaticContact CE3-CZ2 3.23Å; W18-W41 HydrophobicContact CE3-CZ2 3.23Å; W18-W41 HydrophobicContact CE3-CZ3 4.47Å; W18-W41 AromaticContact CE3-NE1 3.75Å; W18-W41 AromaticContact CZ3-CE2 4Å; W18-W41 HydrophobicContact CZ3-CH2 4.31Å; W18-W41 AromaticContact CZ3-CZ2 3.56Å; W18-W41 HydrophobicContact CZ3-CZ2 3.56Å; W18-I473 HydrophobicContact CG-CG2 4.44Å
19I93.6Very high91.4Very high3 Ų337.6 Ų37.62%0.01520%0.201CC..Hα-helixtrans-66.4-36.6-178.6-173.358.8000112.1F16 S23 V214 A436 V452 I473F16-I19 VanDerWaalsContact O-CG2 3.22Å; F16-I19 WeakPolarHBondContact O-CG2 3.44Å; F16-I19 PolarHBondContact O-N 2.94Å; I19-S23 VanDerWaalsContact O-CB 3.32Å; I19-S23 WeakPolarHBondContact O-CB 3.47Å; I19-S23 PolarHBondContact O-N 3.25Å; I19-S23 VanDerWaalsContact O-N 3.07Å; I19-S23 PolarHBondContact O-OG 3.44Å; I19-V214 HydrophobicContact CB-CG1 4.46Å; I19-V214 HydrophobicContact CG1-CB 4.28Å; I19-V214 HydrophobicContact CG1-CG1 3.81Å; I19-V214 HydrophobicContact CG2-CG1 4.13Å; I19-A436 HydrophobicContact CB-CB 4.2Å; I19-A436 HydrophobicContact CD1-CB 3.69Å; I19-A436 HydrophobicContact CG1-CB 3.73Å; I19-V452 HydrophobicContact CG1-CG2 4.4Å; I19-I473 HydrophobicContact CD1-CD1 3.61Å
20E95.8Very high92Very high1 Ų137.8 Ų37.81%0.00520%0.197CC..Hα-helixtrans-62.8-52.4173.6-170.6-168.2-14700110.2F16 W18 K22 S23 L24 S63 V64 L65 N213F16-E20 WeakPolarHBondContact O-CB 3.27Å; F16-E20 PolarHBondContact O-N 3.11Å; W18-E20 VanDerWaalsContact C-N 3.34Å; W18-E20 PolarHBondContact O-N 3.48Å; E20-K22 PolarHBondContact O-N 3Å; E20-S23 PolarHBondContact O-N 3.21Å; E20-L24 HydrophobicContact CG-CD1 4.08Å; E20-L24 HydrophobicContact CG-CG 4.45Å; E20-L24 WeakPolarHBondContact O-CG 3.37Å; E20-L24 PolarHBondContact O-N 2.97Å; E20-S63 PolarHBondContact OE2-OG 2.8Å; E20-V64 WeakPolarHBondContact OE1-CG2 3.16Å; E20-V64 PolarHBondContact OE1-N 3.23Å; E20-L65 HydrophobicContact CB-CD1 4.11Å; E20-L65 WeakPolarHBondContact OE2-CB 3.31Å; E20-L65 VanDerWaalsContact OE2-CG 3.3Å; E20-L65 WeakPolarHBondContact OE2-CG 3.25Å; E20-L65 PolarHBondContact OE2-N 3.31Å; E20-N213 HydrophobicContact CG-CB 4.08Å; E20-N213 PolarHBondContact OE1-ND2 3.41Å
21F95.8Very high93.1Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-57.5-50.4-179.9168.4-101.9000112F6 R17 W18 S23 L24 A25 Y32 W41 I48 I59F6-F21 HydrophobicContact CD2-CD2 4.34Å; F6-F21 AromaticContact CE2-CD2 3.53Å; F6-F21 HydrophobicContact CE2-CD2 3.53Å; F6-F21 AromaticContact CE2-CE2 3.52Å; F6-F21 HydrophobicContact CE2-CE2 3.52Å; F6-F21 HydrophobicContact CE2-CG 4.43Å; F6-F21 HydrophobicContact CE2-CZ 4.4Å; F6-F21 HydrophobicContact CZ-CD2 4.3Å; F6-F21 HydrophobicContact CZ-CE2 4.03Å; R17-F21 WeakPolarHBondContact O-CB 3.15Å; R17-F21 PolarHBondContact O-N 3.2Å; W18-F21 AromaticContact CE3-CD1 3.93Å; W18-F21 HydrophobicContact CE3-CD1 3.93Å; W18-F21 AromaticContact CZ3-CD1 3.73Å; W18-F21 HydrophobicContact CZ3-CD1 3.73Å; W18-F21 HydrophobicContact CZ3-CE1 4.04Å; W18-F21 PolarHBondContact O-N 3.09Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 3.02Å; F21-L24 PolarHBondContact O-N 3.27Å; F21-L24 VanDerWaalsContact O-N 3.11Å; F21-A25 HydrophobicContact CE1-CB 4.48Å; F21-A25 HydrophobicContact CE2-CB 4.36Å; F21-A25 HydrophobicContact CZ-CB 4.05Å; F21-A25 PolarHBondContact O-N 3.27Å; F21-Y32 HydrophobicContact CE1-CD1 4.19Å; F21-Y32 AromaticContact CE1-CD2 3.77Å; F21-Y32 HydrophobicContact CE1-CD2 3.77Å; F21-Y32 HydrophobicContact CE1-CE1 4.11Å; F21-Y32 AromaticContact CE1-CE2 3.67Å; F21-Y32 HydrophobicContact CE1-CE2 3.67Å; F21-Y32 HydrophobicContact CE1-CG 4.03Å; F21-Y32 AromaticContact CE1-CZ 3.84Å; F21-Y32 AromaticContact CZ-CD1 3.95Å; F21-Y32 HydrophobicContact CZ-CD1 3.95Å; F21-Y32 HydrophobicContact CZ-CD2 4.03Å; F21-Y32 HydrophobicContact CZ-CE1 4.24Å; F21-Y32 HydrophobicContact CZ-CE2 4.32Å; F21-Y32 AromaticContact CZ-CG 3.84Å; F21-Y32 HydrophobicContact CZ-CG 3.84Å; F21-W41 HydrophobicContact CB-CH2 3.71Å; F21-W41 HydrophobicContact CB-CZ3 3.88Å; F21-W41 AromaticContact CD1-CH2 3.42Å; F21-W41 HydrophobicContact CD1-CH2 3.42Å; F21-W41 VanDerWaalsContact CD1-CH2 3.42Å; F21-W41 AromaticContact CD1-CZ2 3.9Å; F21-W41 HydrophobicContact CD1-CZ2 3.9Å; F21-W41 HydrophobicContact CD1-CZ3 4.41Å; F21-W41 HydrophobicContact CE1-CH2 4.27Å; F21-W41 AromaticContact CG-CH2 3.59Å; F21-W41 HydrophobicContact CG-CH2 3.59Å; F21-W41 HydrophobicContact CG-CZ2 4.5Å; F21-W41 HydrophobicContact CG-CZ3 4.25Å; F21-I48 HydrophobicContact CE1-CD1 3.57Å; F21-I48 HydrophobicContact CE2-CD1 3.63Å; F21-I48 HydrophobicContact CZ-CD1 3.05Å; F21-I59 HydrophobicContact CD2-CG2 4.01Å; F21-I59 HydrophobicContact CE2-CD1 4.39Å; F21-I59 HydrophobicContact CE2-CG1 4.35Å; F21-I59 HydrophobicContact CE2-CG2 4.27Å
22K94.9Very high94.1Very high47 Ų4738.2 Ų38.220%0.20419%0.189CC..Hα-helixtrans-58-39.9179.8-174.2169.7-177.6173.50111.4W18 E20 A25 E26 I473W18-K22 HydrophobicContact CE3-CB 4.43Å; W18-K22 HydrophobicContact CH2-CD 4.29Å; W18-K22 HydrophobicContact CZ2-CD 3.81Å; W18-K22 HydrophobicContact CZ3-CB 4.44Å; W18-K22 WeakPolarHBondContact O-CB 3.42Å; W18-K22 PolarHBondContact O-N 2.85Å; E20-K22 PolarHBondContact O-N 3Å; K22-A25 PolarHBondContact O-N 2.87Å; K22-E26 WeakPolarHBondContact O-CB 3.13Å; K22-E26 PolarHBondContact O-N 3.09Å; K22-I473 HydrophobicContact CD-CD1 3.77Å
23S97.4Very high94.9Very high1 Ų138.6 Ų38.61%0.00720%0.197CC..Hα-helixtrans-68.8-37.2177.9-55.10000112.7I19 E20 F21 M27 V214 L216I19-S23 VanDerWaalsContact O-CB 3.32Å; I19-S23 WeakPolarHBondContact O-CB 3.47Å; I19-S23 PolarHBondContact O-N 3.25Å; I19-S23 VanDerWaalsContact O-N 3.07Å; I19-S23 PolarHBondContact O-OG 3.44Å; E20-S23 PolarHBondContact O-N 3.21Å; F21-S23 VanDerWaalsContact C-N 3.25Å; F21-S23 PolarHBondContact O-N 3.02Å; S23-M27 WeakPolarHBondContact O-CB 3.48Å; S23-M27 PolarHBondContact O-N 3.2Å; S23-V214 WeakPolarHBondContact OG-CA 3.45Å; S23-L216 VanDerWaalsContact O-CD2 3.23Å; S23-L216 WeakPolarHBondContact O-CD2 3.42Å
24L97.3Very high95Very high2 Ų238 Ų381%0.0120%0.197CC..Hα-helixtrans-68.9-40.9174.9-66.2174.6000111.5E20 F21 M27 E28 I59 R62 N213E20-L24 HydrophobicContact CG-CD1 4.08Å; E20-L24 HydrophobicContact CG-CG 4.45Å; E20-L24 WeakPolarHBondContact O-CG 3.37Å; E20-L24 PolarHBondContact O-N 2.97Å; F21-L24 PolarHBondContact O-N 3.27Å; F21-L24 VanDerWaalsContact O-N 3.11Å; L24-M27 PolarHBondContact O-N 3.21Å; L24-E28 WeakPolarHBondContact O-CG 3.44Å; L24-E28 PolarHBondContact O-N 2.88Å; L24-I59 VanDerWaalsContact C-CD1 3.42Å; L24-I59 HydrophobicContact CB-CD1 3.58Å; L24-I59 HydrophobicContact CB-CG2 4.41Å; L24-I59 HydrophobicContact CD1-CG2 4.18Å; L24-R62 HydrophobicContact CD2-CB 4.05Å; L24-R62 VanDerWaalsContact CD2-CD 3.5Å; L24-R62 HydrophobicContact CD2-CG 3.62Å; L24-N213 HydrophobicContact CD2-CB 4.23Å
25A97.1Very high94.6Very high2 Ų239.2 Ų39.22%0.01721%0.206CC..Hα-helixtrans-65.2-39175.700000112.2F21 K22 Q29 L30 Y32 I59F21-A25 HydrophobicContact CE1-CB 4.48Å; F21-A25 HydrophobicContact CE2-CB 4.36Å; F21-A25 HydrophobicContact CZ-CB 4.05Å; F21-A25 PolarHBondContact O-N 3.27Å; K22-A25 PolarHBondContact O-N 2.87Å; A25-Q29 WeakPolarHBondContact O-CA 3.39Å; A25-Q29 PolarHBondContact O-N 3.09Å; A25-L30 PolarHBondContact O-N 3.46Å; A25-Y32 HydrophobicContact CB-CD1 3.72Å; A25-Y32 HydrophobicContact CB-CE1 3.42Å; A25-Y32 VanDerWaalsContact CB-CE1 3.42Å; A25-I59 HydrophobicContact CB-CD1 4.18Å
26E96.4Very high94Very high89 Ų8943.4 Ų43.442%0.41622%0.224SC..Hα-helixtrans-62.5-45.1172.4-179.3-179.2162.500111.7K22 E28 Q29 L216 R408K22-E26 WeakPolarHBondContact O-CB 3.13Å; K22-E26 PolarHBondContact O-N 3.09Å; E26-E28 VanDerWaalsContact C-N 3.32Å; E26-E28 PolarHBondContact O-N 3.19Å; E26-Q29 PolarHBondContact O-N 3.42Å; E26-Q29 VanDerWaalsContact O-N 3.16Å; E26-L216 WeakPolarHBondContact OE1-CD1 3.44Å; E26-R408 IonicContact OE1-CZ 3.74Å; E26-R408 IonicContact OE1-NH2 3.28Å; E26-R408 PolarHBondContact OE1-NH2 3.43Å; E26-R408 IonicContact OE2-CZ 3.76Å; E26-R408 IonicContact OE2-NH2 2.74Å; E26-R408 PolarHBondContact OE2-NH2 2.77Å
27M96Very high93.4Very high23 Ų2345.8 Ų45.811%0.11324%0.241CC..Hα-helixtrans-60.6-41.2179.5-175.6179.1-57.300112.8S23 L24 Q29 R62 L216 R218S23-M27 WeakPolarHBondContact O-CB 3.48Å; S23-M27 PolarHBondContact O-N 3.2Å; L24-M27 PolarHBondContact O-N 3.21Å; M27-Q29 VanDerWaalsContact C-N 3.33Å; M27-R62 VanDerWaalsContact SD-CZ 3.51Å; M27-R62 PolarHBondContact SD-NH1 3.22Å; M27-L216 HydrophobicContact CB-CD2 4.31Å; M27-L216 VanDerWaalsContact CE-CA 3.46Å; M27-L216 HydrophobicContact CE-CB 4.21Å; M27-L216 HydrophobicContact CE-CD2 4.15Å; M27-R218 HydrophobicContact SD-CB 4.11Å
28E96.3Very high92.3Very high86 Ų8649.3 Ų49.340%0.40226%0.257SS..THydrogen-bonded Turntrans-89.20.6179.8-60.4-63.4142.600112.7L24 E26 L30L24-E28 WeakPolarHBondContact O-CG 3.44Å; L24-E28 PolarHBondContact O-N 2.88Å; E26-E28 VanDerWaalsContact C-N 3.32Å; E26-E28 PolarHBondContact O-N 3.19Å; E28-L30 VanDerWaalsContact C-N 3.28Å; E28-L30 HydrophobicContact CB-CD1 3.66Å; E28-L30 HydrophobicContact CB-CD2 4.41Å; E28-L30 HydrophobicContact CB-CG 3.64Å; E28-L30 HydrophobicContact CG-CD1 4.45Å; E28-L30 PolarHBondContact O-N 3.01Å
29Q96.6Very high91.8Very high180 Ų18053.1 Ų53.184%0.84128%0.279SS*.THydrogen-bonded Turntrans53.241.2-178.5-56.81781500113.6A25 E26 M27A25-Q29 WeakPolarHBondContact O-CA 3.39Å; A25-Q29 PolarHBondContact O-N 3.09Å; E26-Q29 PolarHBondContact O-N 3.42Å; E26-Q29 VanDerWaalsContact O-N 3.16Å; M27-Q29 VanDerWaalsContact C-N 3.33Å
30L96.7Very high91.5Very high36 Ų3655.3 Ų55.319%0.18829%0.291CS..  trans-92.3137.6-174.2-61.3173.1000111.9A25 E28 M50 S55 S58 I59A25-L30 PolarHBondContact O-N 3.46Å; E28-L30 VanDerWaalsContact C-N 3.28Å; E28-L30 HydrophobicContact CB-CD1 3.66Å; E28-L30 HydrophobicContact CB-CD2 4.41Å; E28-L30 HydrophobicContact CB-CG 3.64Å; E28-L30 HydrophobicContact CG-CD1 4.45Å; E28-L30 PolarHBondContact O-N 3.01Å; L30-M50 HydrophobicContact CB-CE 4.05Å; L30-M50 HydrophobicContact CD1-CE 3.68Å; L30-M50 HydrophobicContact CG-CE 4.44Å; L30-S55 VanDerWaalsContact CD1-O 3.32Å; L30-S55 WeakPolarHBondContact CD1-O 3.39Å; L30-S58 WeakPolarHBondContact CD1-OG 3.38Å; L30-I59 HydrophobicContact CD1-CD1 3.86Å; L30-I59 HydrophobicContact CD1-CG1 3.84Å
31S95.7Very high91.2Very high96 Ų9655.7 Ų55.767%0.67129%0.293SS*.  trans-81.8137.7166.7-64.80000110.5
32Y96Very high90.8Very high61 Ų6158.5 Ų58.524%0.23931%0.307CS..EExtended strand (participates in β ladder)trans-148.7159.4176.560.1-89.7000111W18 F21 A25 V34 I48 E49W18-Y32 HydrophobicContact CH2-CE2 4.06Å; W18-Y32 HydrophobicContact CZ3-CE2 4.2Å; F21-Y32 HydrophobicContact CE1-CD1 4.19Å; F21-Y32 AromaticContact CE1-CD2 3.77Å; F21-Y32 HydrophobicContact CE1-CD2 3.77Å; F21-Y32 HydrophobicContact CE1-CE1 4.11Å; F21-Y32 AromaticContact CE1-CE2 3.67Å; F21-Y32 HydrophobicContact CE1-CE2 3.67Å; F21-Y32 HydrophobicContact CE1-CG 4.03Å; F21-Y32 AromaticContact CE1-CZ 3.84Å; F21-Y32 AromaticContact CZ-CD1 3.95Å; F21-Y32 HydrophobicContact CZ-CD1 3.95Å; F21-Y32 HydrophobicContact CZ-CD2 4.03Å; F21-Y32 HydrophobicContact CZ-CE1 4.24Å; F21-Y32 HydrophobicContact CZ-CE2 4.32Å; F21-Y32 AromaticContact CZ-CG 3.84Å; F21-Y32 HydrophobicContact CZ-CG 3.84Å; A25-Y32 HydrophobicContact CB-CD1 3.72Å; A25-Y32 HydrophobicContact CB-CE1 3.42Å; A25-Y32 VanDerWaalsContact CB-CE1 3.42Å; Y32-V34 HydrophobicContact CD2-CB 4.34Å; Y32-V34 HydrophobicContact CD2-CG1 3.78Å; Y32-V34 HydrophobicContact CE2-CG1 3.78Å; Y32-I48 HydrophobicContact CD2-CD1 4.24Å; Y32-I48 HydrophobicContact CG-CD1 4.27Å; Y32-E49 CarbonylContact C-O 3.54Å; Y32-E49 WeakPolarHBondContact CA-O 3.48Å; Y32-E49 WeakPolarHBondContact CB-O 3.46Å
33S95.7Very high90.7Very high56 Ų5659.4 Ų59.439%0.39231%0.309SS..EExtended strand (participates in β ladder)trans-126.4127.5167.4169.70000108.8E49S33-E49 PolarHBondContact N-O 2.92Å; S33-E49 PolarHBondContact O-N 3.1Å
34V91.9Very high90.5Very high25 Ų2559.5 Ų59.515%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-150.5154.3-175.768.80000109.8W18 Y32 E36 W41 V46 I48W18-V34 HydrophobicContact CH2-CG1 4.09Å; W18-V34 HydrophobicContact CZ3-CG1 3.82Å; Y32-V34 HydrophobicContact CD2-CB 4.34Å; Y32-V34 HydrophobicContact CD2-CG1 3.78Å; Y32-V34 HydrophobicContact CE2-CG1 3.78Å; V34-E36 HydrophobicContact CG1-CG 4.47Å; V34-E36 PolarHBondContact O-N 3.05Å; V34-W41 HydrophobicContact CG1-CZ2 4.22Å; V34-W41 HydrophobicContact CG2-CZ2 3.75Å; V34-V46 HydrophobicContact CG2-CG1 4.18Å; V34-I48 HydrophobicContact CB-CB 4.49Å; V34-I48 HydrophobicContact CB-CD1 4.22Å; V34-I48 HydrophobicContact CB-CG1 4.02Å; V34-I48 HydrophobicContact CG2-CB 4.2Å; V34-I48 HydrophobicContact CG2-CD1 4.41Å; V34-I48 HydrophobicContact CG2-CG1 4.24Å
35S82.9Confident90.4Very high51 Ų5159.7 Ų59.736%0.35731%0.311SS..  trans-65.1119.5164.9-178.30000109.3S37 D40 W41S35-S37 VanDerWaalsContact OG-CB 3.24Å; S35-S37 WeakPolarHBondContact OG-CB 3.49Å; S35-S37 PolarHBondContact OG-N 3.24Å; S35-D40 WeakPolarHBondContact CB-OD2 3.48Å; S35-D40 PolarHBondContact OG-OD2 3.39Å; S35-W41 PolarHBondContact O-NE1 2.88Å
36E77Confident90.3Very high119 Ų11959.9 Ų59.956%0.55631%0.311SS*.  trans-85.14.8170.9-58.7-165.6-170.600112W18 V34 K38W18-E36 HydrophobicContact CH2-CG 3.94Å; W18-E36 HydrophobicContact CZ2-CG 3.97Å; V34-E36 HydrophobicContact CG1-CG 4.47Å; V34-E36 PolarHBondContact O-N 3.05Å; E36-K38 PolarHBondContact O-N 2.66Å
37S80.4Confident90.3Very high52 Ų5257.2 Ų57.236%0.36430%0.301SS..  trans-58.9127.3173.3178.10000110.2S35 D39 D40S35-S37 VanDerWaalsContact OG-CB 3.24Å; S35-S37 WeakPolarHBondContact OG-CB 3.49Å; S35-S37 PolarHBondContact OG-N 3.24Å; S37-D39 PolarHBondContact O-N 3.23Å; S37-D39 PolarHBondContact OG-N 3.49Å; S37-D40 PolarHBondContact O-N 3.12Å; S37-D40 VanDerWaalsContact O-N 3.15Å
38K72.5Confident90.4Very high74 Ų7456.1 Ų56.132%0.32230%0.296SS..Hα-helixtrans-51.5-44.1175.7177.9179.9174178.70111.7E36 D40 W41 L42E36-K38 PolarHBondContact O-N 2.66Å; K38-D40 VanDerWaalsContact C-N 3.25Å; K38-D40 PolarHBondContact O-N 3.02Å; K38-W41 PolarHBondContact O-N 2.92Å; K38-L42 WeakPolarHBondContact O-CG 3.5Å; K38-L42 PolarHBondContact O-N 2.96Å
39D81.9Confident90.5Very high111 Ų11154.8 Ų54.859%0.59429%0.29SS*.Hα-helixtrans-65.3-30.9-174.4-67.4-29.4000112.1S37 L42S37-D39 PolarHBondContact O-N 3.23Å; S37-D39 PolarHBondContact OG-N 3.49Å; D39-L42 WeakPolarHBondContact O-CB 3.35Å; D39-L42 PolarHBondContact O-N 2.95Å
40D86.7Confident90.5Very high49 Ų4946.2 Ų46.226%0.26225%0.249SC..Hα-helixtrans-70-38.8177.9-73.8-37000112S35 S37 K38 L42 R43S35-D40 WeakPolarHBondContact CB-OD2 3.48Å; S35-D40 PolarHBondContact OG-OD2 3.39Å; S37-D40 PolarHBondContact O-N 3.12Å; S37-D40 VanDerWaalsContact O-N 3.15Å; K38-D40 VanDerWaalsContact C-N 3.25Å; K38-D40 PolarHBondContact O-N 3.02Å; D40-L42 PolarHBondContact O-N 3.08Å; D40-R43 VanDerWaalsContact O-CB 3.24Å; D40-R43 WeakPolarHBondContact O-CB 3.42Å; D40-R43 WeakPolarHBondContact O-CG 3.39Å; D40-R43 PolarHBondContact O-N 3.41Å
41W90.7Very high90.5Very high10 Ų1051 Ų514%0.03827%0.271CS..Hα-helixtrans-72.1-15.3176.8-73.589.5000113.6F8 R17 W18 F21 V34 S35 K38 R43 V46F8-W41 HydrophobicContact CE2-CZ3 4.48Å; F8-W41 HydrophobicContact CZ-CE3 4.43Å; F8-W41 AromaticContact CZ-CZ3 3.96Å; F8-W41 HydrophobicContact CZ-CZ3 3.96Å; R17-W41 HydrophobicContact CB-CE3 3.83Å; R17-W41 HydrophobicContact CB-CZ3 4.3Å; R17-W41 WeakPolarHBondContact CD-O 3.29Å; R17-W41 PolarHBondContact NH1-O 3.24Å; W18-W41 HydrophobicContact CB-CD2 3.87Å; W18-W41 HydrophobicContact CB-CE3 4.12Å; W18-W41 HydrophobicContact CB-CG 4.02Å; W18-W41 HydrophobicContact CD2-CZ2 4.34Å; W18-W41 HydrophobicContact CE3-CD2 4.15Å; W18-W41 AromaticContact CE3-CE2 3.4Å; W18-W41 AromaticContact CE3-CH2 3.83Å; W18-W41 HydrophobicContact CE3-CH2 3.83Å; W18-W41 AromaticContact CE3-CZ2 3.23Å; W18-W41 HydrophobicContact CE3-CZ2 3.23Å; W18-W41 HydrophobicContact CE3-CZ3 4.47Å; W18-W41 AromaticContact CE3-NE1 3.75Å; W18-W41 AromaticContact CZ3-CE2 4Å; W18-W41 HydrophobicContact CZ3-CH2 4.31Å; W18-W41 AromaticContact CZ3-CZ2 3.56Å; W18-W41 HydrophobicContact CZ3-CZ2 3.56Å; F21-W41 HydrophobicContact CB-CH2 3.71Å; F21-W41 HydrophobicContact CB-CZ3 3.88Å; F21-W41 AromaticContact CD1-CH2 3.42Å; F21-W41 HydrophobicContact CD1-CH2 3.42Å; F21-W41 VanDerWaalsContact CD1-CH2 3.42Å; F21-W41 AromaticContact CD1-CZ2 3.9Å; F21-W41 HydrophobicContact CD1-CZ2 3.9Å; F21-W41 HydrophobicContact CD1-CZ3 4.41Å; F21-W41 HydrophobicContact CE1-CH2 4.27Å; F21-W41 AromaticContact CG-CH2 3.59Å; F21-W41 HydrophobicContact CG-CH2 3.59Å; F21-W41 HydrophobicContact CG-CZ2 4.5Å; F21-W41 HydrophobicContact CG-CZ3 4.25Å; V34-W41 HydrophobicContact CG1-CZ2 4.22Å; V34-W41 HydrophobicContact CG2-CZ2 3.75Å; S35-W41 PolarHBondContact O-NE1 2.88Å; K38-W41 PolarHBondContact O-N 2.92Å; W41-R43 VanDerWaalsContact C-N 3.25Å; W41-V46 HydrophobicContact CD2-CG1 4.33Å; W41-V46 HydrophobicContact CE3-CG1 4.45Å; W41-V46 HydrophobicContact CE3-CG2 4.26Å; W41-V46 HydrophobicContact CH2-CG1 4.27Å; W41-V46 HydrophobicContact CZ2-CG1 4.12Å; W41-V46 HydrophobicContact CZ3-CG1 4.45Å
42L87.5Confident90.6Very high59 Ų5948.8 Ų48.831%0.30925%0.252SS..Hα-helixtrans-72-23.1170.1-58.1-177.6000112.2V14 R17 K38 D39 D40 Y478V14-L42 VanDerWaalsContact CG1-CA 3.49Å; V14-L42 HydrophobicContact CG1-CB 4.08Å; V14-L42 HydrophobicContact CG1-CD2 3.49Å; V14-L42 VanDerWaalsContact CG1-CD2 3.49Å; V14-L42 HydrophobicContact CG1-CG 4.39Å; R17-L42 PolarHBondContact NH1-O 3.42Å; K38-L42 WeakPolarHBondContact O-CG 3.5Å; K38-L42 PolarHBondContact O-N 2.96Å; D39-L42 WeakPolarHBondContact O-CB 3.35Å; D39-L42 PolarHBondContact O-N 2.95Å; D40-L42 PolarHBondContact O-N 3.08Å; L42-Y478 WeakPolarHBondContact CD2-OH 3.38Å
43R91Very high90.7Very high66 Ų6647.6 Ų47.625%0.24925%0.249CC..SBendtrans-70.6147-176.6-56.5179.972.5158.23.6111.7R17 D40 W41 F45 E152R17-R43 PolarHBondContact NH1-O 2.92Å; D40-R43 VanDerWaalsContact O-CB 3.24Å; D40-R43 WeakPolarHBondContact O-CB 3.42Å; D40-R43 WeakPolarHBondContact O-CG 3.39Å; D40-R43 PolarHBondContact O-N 3.41Å; W41-R43 VanDerWaalsContact C-N 3.25Å; R43-F45 PolarHBondContact O-N 3.41Å; R43-E152 IonicContact CZ-OE1 3.43Å; R43-E152 IonicContact CZ-OE2 3.4Å; R43-E152 IonicContact NE-OE1 3.71Å; R43-E152 PolarHBondContact NE-OE1 3.12Å; R43-E152 IonicContact NE-OE2 3.55Å; R43-E152 PolarHBondContact NE-OE2 3.18Å; R43-E152 VanDerWaalsContact NH2-CD 3.3Å; R43-E152 IonicContact NH2-OE1 3.64Å; R43-E152 PolarHBondContact NH2-OE1 3.5Å; R43-E152 IonicContact NH2-OE2 2.8Å; R43-E152 PolarHBondContact NH2-OE2 3.15Å
44P93.7Very high90.8Very high3 Ų350.5 Ų50.52%0.01926%0.261CS..SBendtrans-66.8-19176.929.2-37.2000113.1S7 F8 A10 A111 E152S7-P44 WeakPolarHBondContact CA-O 3.49Å; F8-P44 PolarHBondContact N-O 3.18Å; A10-P44 HydrophobicContact CB-CB 4.43Å; P44-A111 HydrophobicContact CB-CB 3.63Å; P44-A111 HydrophobicContact CG-CB 3.41Å; P44-A111 VanDerWaalsContact CG-CB 3.41Å; P44-E152 HydrophobicContact CG-CG 3.86Å
45F95.5Very high91Very high6 Ų649.8 Ų49.83%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-129116.7178.8-52.4-59.6000109.5V5 F6 S7 R43 A111 L150 E152 L173V5-F45 HydrophobicContact CG1-CB 3.85Å; V5-F45 HydrophobicContact CG1-CD1 4.41Å; V5-F45 HydrophobicContact CG1-CG 4.5Å; F6-F45 WeakPolarHBondContact O-CA 3.47Å; S7-F45 WeakPolarHBondContact OG-CE1 3.31Å; R43-F45 PolarHBondContact O-N 3.41Å; F45-A111 HydrophobicContact CE2-CB 3.82Å; F45-A111 HydrophobicContact CZ-CB 4.01Å; F45-L150 HydrophobicContact CD1-CB 4.33Å; F45-L150 HydrophobicContact CD1-CD1 3.86Å; F45-L150 HydrophobicContact CD2-CB 4.36Å; F45-L150 HydrophobicContact CE1-CB 3.98Å; F45-L150 HydrophobicContact CE1-CD1 4.01Å; F45-L150 HydrophobicContact CE1-CD2 4.25Å; F45-L150 HydrophobicContact CE1-CG 4.31Å; F45-L150 HydrophobicContact CE2-CB 4.01Å; F45-L150 HydrophobicContact CG-CD1 4.42Å; F45-L150 HydrophobicContact CZ-CB 3.82Å; F45-E152 HydrophobicContact CD2-CB 3.98Å; F45-E152 HydrophobicContact CD2-CG 4.2Å; F45-E152 HydrophobicContact CE2-CB 4.17Å; F45-L173 HydrophobicContact CB-CD1 3.55Å; F45-L173 HydrophobicContact CD2-CD1 4.28Å; F45-L173 HydrophobicContact CG-CD1 4.02Å
46V95.8Very high91.7Very high5 Ų547.4 Ų47.43%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-110.8127.4179.2-179.10000108.4V5 F6 F8 V34 W41V5-V46 CarbonylContact C-O 3.48Å; V5-V46 WeakPolarHBondContact CA-O 3.27Å; F6-V46 PolarHBondContact N-O 3.4Å; F6-V46 PolarHBondContact O-N 2.66Å; F8-V46 HydrophobicContact CD2-CG2 4.16Å; F8-V46 HydrophobicContact CE2-CB 4.06Å; F8-V46 HydrophobicContact CE2-CG2 3.7Å; V34-V46 HydrophobicContact CG2-CG1 4.18Å; W41-V46 HydrophobicContact CD2-CG1 4.33Å; W41-V46 HydrophobicContact CE3-CG1 4.45Å; W41-V46 HydrophobicContact CE3-CG2 4.26Å; W41-V46 HydrophobicContact CH2-CG1 4.27Å; W41-V46 HydrophobicContact CZ2-CG1 4.12Å; W41-V46 HydrophobicContact CZ3-CG1 4.45Å
47V96.7Very high92.7Very high33 Ų3343.7 Ų43.720%0.222%0.224CC..EExtended strand (participates in β ladder)trans-89134.2175.7177.20000109.3Y4 V5 L72 L173Y4-V47 CarbonylContact O-C 3.59Å; Y4-V47 VanDerWaalsContact O-CA 3.28Å; Y4-V47 WeakPolarHBondContact O-CA 3.34Å; V5-V47 HydrophobicContact CG2-CG2 4.27Å; V47-L72 HydrophobicContact CG1-CD2 3.77Å; V47-L72 HydrophobicContact CG2-CD2 3.88Å; V47-L173 HydrophobicContact CG2-CD2 4.29Å
48I96.8Very high93.4Very high1 Ų142.4 Ų42.41%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-138150.1-179.8-174.8162.1000110.6K3 Y4 F6 F21 Y32 V34 M50K3-I48 CarbonylContact C-O 3.54Å; K3-I48 WeakPolarHBondContact CA-O 3.48Å; Y4-I48 PolarHBondContact N-O 2.98Å; Y4-I48 PolarHBondContact O-N 2.8Å; F6-I48 HydrophobicContact CD2-CG2 4.1Å; F6-I48 HydrophobicContact CE1-CG2 4.28Å; F6-I48 HydrophobicContact CE2-CD1 3.96Å; F6-I48 HydrophobicContact CE2-CG2 3.76Å; F6-I48 HydrophobicContact CZ-CG2 3.87Å; F21-I48 HydrophobicContact CE1-CD1 3.57Å; F21-I48 HydrophobicContact CE2-CD1 3.63Å; F21-I48 HydrophobicContact CZ-CD1 3.05Å; Y32-I48 HydrophobicContact CD2-CD1 4.24Å; Y32-I48 HydrophobicContact CG-CD1 4.27Å; V34-I48 HydrophobicContact CB-CB 4.49Å; V34-I48 HydrophobicContact CB-CD1 4.22Å; V34-I48 HydrophobicContact CB-CG1 4.02Å; V34-I48 HydrophobicContact CG2-CB 4.2Å; V34-I48 HydrophobicContact CG2-CD1 4.41Å; V34-I48 HydrophobicContact CG2-CG1 4.24Å; I48-M50 HydrophobicContact CD1-CG 4.27Å; I48-M50 HydrophobicContact CD1-SD 4.34Å; I48-M50 HydrophobicContact CG1-CG 4.09Å
49E98.1Very high94.6Very high57 Ų5738.9 Ų38.927%0.26620%0.2SC..EExtended strand (participates in β ladder)trans-106.5128.1171.7-71-179.9-163.700110.9M1 K2 K3 Y32 S33M1-E49 HydrophobicContact CB-CB 4Å; M1-E49 HydrophobicContact SD-CB 4.42Å; K2-E49 VanDerWaalsContact O-CA 3.24Å; K2-E49 WeakPolarHBondContact O-CA 3.41Å; K3-E49 WeakPolarHBondContact CE-OE1 3.31Å; K3-E49 HydrophobicContact CG-CG 3.69Å; Y32-E49 CarbonylContact C-O 3.54Å; Y32-E49 WeakPolarHBondContact CA-O 3.48Å; Y32-E49 WeakPolarHBondContact CB-O 3.46Å; S33-E49 PolarHBondContact N-O 2.92Å; S33-E49 PolarHBondContact O-N 3.1Å
50M98Very high95.2Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-138.5167.5177.4-60.5-17278.900110.1M1 K2 Y4 F6 L30 I48 V56 I59M1-M50 CarbonylContact C-O 3.59Å; M1-M50 WeakPolarHBondContact CA-O 3.5Å; M1-M50 WeakPolarHBondContact CB-O 3.42Å; K2-M50 PolarHBondContact N-O 3.32Å; K2-M50 PolarHBondContact O-N 3.38Å; Y4-M50 HydrophobicContact CD2-CB 4.07Å; Y4-M50 HydrophobicContact CE2-CB 4Å; F6-M50 HydrophobicContact CZ-SD 4.23Å; L30-M50 HydrophobicContact CB-CE 4.05Å; L30-M50 HydrophobicContact CD1-CE 3.68Å; L30-M50 HydrophobicContact CG-CE 4.44Å; I48-M50 HydrophobicContact CD1-CG 4.27Å; I48-M50 HydrophobicContact CD1-SD 4.34Å; I48-M50 HydrophobicContact CG1-CG 4.09Å; M50-V56 HydrophobicContact CB-CG2 4.22Å; M50-V56 HydrophobicContact CG-CG2 4.37Å; M50-V56 HydrophobicContact SD-CG2 3.65Å; M50-I59 HydrophobicContact CE-CG1 4.21Å
51E96.9Very high95.5Very high138 Ų13837.7 Ų37.765%0.64519%0.187SC*.SBendtrans-65.6-51.3-175-171-179.517200112.8
52N96.8Very high95.6Very high49 Ų4938.2 Ų38.226%0.26219%0.189SC..  trans-155.6175.7-17258.758.3000112.1Y4 D54 S55 V56Y4-N52 WeakPolarHBondContact OH-CA 3.31Å; Y4-N52 PolarHBondContact OH-O 2.79Å; N52-D54 VanDerWaalsContact C-N 3.28Å; N52-D54 PolarHBondContact O-N 2.9Å; N52-D54 WeakPolarHBondContact OD1-CB 3.12Å; N52-D54 PolarHBondContact OD1-N 3.29Å; N52-D54 VanDerWaalsContact OD1-N 3.11Å; N52-S55 PolarHBondContact O-N 2.96Å; N52-S55 PolarHBondContact OD1-N 3.27Å; N52-S55 PolarHBondContact OD1-OG 2.94Å; N52-S55 VanDerWaalsContact OD1-OG 3.12Å; N52-V56 PolarHBondContact O-N 2.89Å
53D97.6Very high96Very high35 Ų3535.4 Ų35.419%0.18717%0.174CC..Hα-helixtrans-66.8-31.1-176-65.3-0.8000112.1Y4 V56 L57 R176 I178Y4-D53 WeakPolarHBondContact CE1-OD1 3.39Å; Y4-D53 PolarHBondContact OH-N 3.26Å; Y4-D53 VanDerWaalsContact OH-N 3.14Å; Y4-D53 PolarHBondContact OH-OD1 3.06Å; D53-V56 WeakPolarHBondContact O-CB 3.44Å; D53-V56 PolarHBondContact O-N 3.13Å; D53-L57 WeakPolarHBondContact O-CB 3.5Å; D53-L57 VanDerWaalsContact O-CG 3.3Å; D53-L57 WeakPolarHBondContact O-CG 3.18Å; D53-L57 PolarHBondContact O-N 2.84Å; D53-R176 IonicContact OD1-NH2 2.66Å; D53-R176 IonicContact OD2-CZ 2.89Å; D53-R176 IonicContact OD2-NH2 3.29Å; D53-R176 PolarHBondContact OD2-NH2 2.92Å; D53-I178 HydrophobicContact CB-CD1 4.18Å
54D97.6Very high96.2Very high118 Ų11832.3 Ų32.363%0.63116%0.163SC*.Hα-helixtrans-67.5-38.5179.2-69-37.8000111.6N52 V56 L57 S58N52-D54 VanDerWaalsContact C-N 3.28Å; N52-D54 PolarHBondContact O-N 2.9Å; N52-D54 WeakPolarHBondContact OD1-CB 3.12Å; N52-D54 PolarHBondContact OD1-N 3.29Å; N52-D54 VanDerWaalsContact OD1-N 3.11Å; D54-V56 VanDerWaalsContact C-N 3.28Å; D54-V56 PolarHBondContact O-N 3.34Å; D54-L57 PolarHBondContact O-N 3.04Å; D54-S58 PolarHBondContact O-N 3.33Å; D54-S58 PolarHBondContact O-OG 3.44Å
55S97.6Very high96.3Very high10 Ų1032.4 Ų32.47%0.0716%0.163CC..Hα-helixtrans-60.5-37.9172.1-500000112.1L30 N52 S58 I59L30-S55 VanDerWaalsContact CD1-O 3.32Å; L30-S55 WeakPolarHBondContact CD1-O 3.39Å; N52-S55 PolarHBondContact O-N 2.96Å; N52-S55 PolarHBondContact OD1-N 3.27Å; N52-S55 PolarHBondContact OD1-OG 2.94Å; N52-S55 VanDerWaalsContact OD1-OG 3.12Å; S55-S58 PolarHBondContact O-OG 3.27Å; S55-I59 WeakPolarHBondContact O-CG1 3.48Å
56V97.9Very high96.3Very high0 Ų032.2 Ų32.20%016%0.162CC..Hα-helixtrans-71.5-41175.8168.70000110.8Y4 F6 M50 N52 D53 D54 S58 I59 I60 A69 I178Y4-V56 HydrophobicContact CD1-CB 4.48Å; Y4-V56 HydrophobicContact CD1-CG1 4.48Å; Y4-V56 HydrophobicContact CD1-CG2 3.7Å; Y4-V56 HydrophobicContact CD2-CG2 3.61Å; Y4-V56 HydrophobicContact CE1-CG2 3.84Å; Y4-V56 HydrophobicContact CE2-CG2 3.74Å; Y4-V56 HydrophobicContact CG-CG2 3.59Å; F6-V56 HydrophobicContact CE1-CG1 4.06Å; M50-V56 HydrophobicContact CB-CG2 4.22Å; M50-V56 HydrophobicContact CG-CG2 4.37Å; M50-V56 HydrophobicContact SD-CG2 3.65Å; N52-V56 PolarHBondContact O-N 2.89Å; D53-V56 WeakPolarHBondContact O-CB 3.44Å; D53-V56 PolarHBondContact O-N 3.13Å; D54-V56 VanDerWaalsContact C-N 3.28Å; D54-V56 PolarHBondContact O-N 3.34Å; V56-S58 PolarHBondContact O-N 3.01Å; V56-I59 PolarHBondContact O-N 3.01Å; V56-I60 HydrophobicContact CG1-CG2 4.43Å; V56-I60 PolarHBondContact O-N 3.26Å; V56-I60 VanDerWaalsContact O-N 3.08Å; V56-A69 HydrophobicContact CG1-CB 3.39Å; V56-I178 HydrophobicContact CB-CG2 4.27Å; V56-I178 HydrophobicContact CG1-CB 4.24Å; V56-I178 HydrophobicContact CG1-CG1 4.49Å; V56-I178 HydrophobicContact CG1-CG2 3.78Å
57L97.1Very high96.2Very high41 Ų4137.9 Ų37.922%0.21519%0.186CC..Hα-helixtrans-62.1-39.8179-78168.2000112.3D53 D54 I59 I60 K61 I178D53-L57 WeakPolarHBondContact O-CB 3.5Å; D53-L57 VanDerWaalsContact O-CG 3.3Å; D53-L57 WeakPolarHBondContact O-CG 3.18Å; D53-L57 PolarHBondContact O-N 2.84Å; D54-L57 PolarHBondContact O-N 3.04Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 3.44Å; L57-I60 HydrophobicContact CD2-CD1 4Å; L57-I60 HydrophobicContact CD2-CG1 4.46Å; L57-I60 PolarHBondContact O-N 3.46Å; L57-K61 WeakPolarHBondContact O-CB 3.38Å; L57-K61 WeakPolarHBondContact O-CD 3.27Å; L57-K61 WeakPolarHBondContact O-CG 3.47Å; L57-K61 PolarHBondContact O-N 3.02Å; L57-I178 HydrophobicContact CD1-CG2 4.42Å; L57-I178 HydrophobicContact CD2-CG2 3.82Å; L57-I178 HydrophobicContact CG-CG2 3.68Å
58S95.8Very high96.2Very high26 Ų2637 Ų3718%0.18218%0.181CC..Hα-helixtrans-63.5-38.5178.259.50000112.2L30 D54 S55 V56L30-S58 WeakPolarHBondContact CD1-OG 3.38Å; D54-S58 PolarHBondContact O-N 3.33Å; D54-S58 PolarHBondContact O-OG 3.44Å; S55-S58 PolarHBondContact O-OG 3.27Å; V56-S58 PolarHBondContact O-N 3.01Å
59I96.6Very high96.2Very high0 Ų036.9 Ų36.90%018%0.181CC..Hα-helixtrans-65.4-53.9173.9-61.9-64.3000111.6F6 F21 L24 A25 L30 M50 S55 V56 L57 K61 R62 S63 I66F6-I59 HydrophobicContact CZ-CG2 4.26Å; F21-I59 HydrophobicContact CD2-CG2 4.01Å; F21-I59 HydrophobicContact CE2-CD1 4.39Å; F21-I59 HydrophobicContact CE2-CG1 4.35Å; F21-I59 HydrophobicContact CE2-CG2 4.27Å; L24-I59 VanDerWaalsContact C-CD1 3.42Å; L24-I59 HydrophobicContact CB-CD1 3.58Å; L24-I59 HydrophobicContact CB-CG2 4.41Å; L24-I59 HydrophobicContact CD1-CG2 4.18Å; A25-I59 HydrophobicContact CB-CD1 4.18Å; L30-I59 HydrophobicContact CD1-CD1 3.86Å; L30-I59 HydrophobicContact CD1-CG1 3.84Å; M50-I59 HydrophobicContact CE-CG1 4.21Å; S55-I59 WeakPolarHBondContact O-CG1 3.48Å; V56-I59 PolarHBondContact O-N 3.01Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 3.44Å; I59-K61 VanDerWaalsContact C-N 3.34Å; I59-K61 PolarHBondContact O-N 3.3Å; I59-R62 PolarHBondContact O-N 3.45Å; I59-S63 PolarHBondContact O-N 2.87Å; I59-I66 HydrophobicContact CG2-CD1 3.83Å
60I95Very high96.3Very high1 Ų134.5 Ų34.51%0.00517%0.169CC..Hα-helixtrans-71.9-27.4-171.468.8-179000113.2F6 V56 L57 R62 I66 A69 S181F6-I60 HydrophobicContact CE1-CG2 4.24Å; V56-I60 HydrophobicContact CG1-CG2 4.43Å; V56-I60 PolarHBondContact O-N 3.26Å; V56-I60 VanDerWaalsContact O-N 3.08Å; L57-I60 HydrophobicContact CD2-CD1 4Å; L57-I60 HydrophobicContact CD2-CG1 4.46Å; L57-I60 PolarHBondContact O-N 3.46Å; I60-R62 PolarHBondContact O-N 3.06Å; I60-I66 HydrophobicContact CG2-CG2 3.97Å; I60-A69 HydrophobicContact CD1-CB 4.17Å; I60-A69 HydrophobicContact CG2-CB 3.71Å; I60-S181 WeakPolarHBondContact O-CA 3Å; I60-S181 WeakPolarHBondContact O-CB 3.43Å
61K93Very high96.3Very high134 Ų13435.2 Ų35.258%0.58317%0.173SC*.THydrogen-bonded Turntrans-58.5-20.6175.3-80.3169.3-175.5174.50112.2L57 I59 I182L57-K61 WeakPolarHBondContact O-CB 3.38Å; L57-K61 WeakPolarHBondContact O-CD 3.27Å; L57-K61 WeakPolarHBondContact O-CG 3.47Å; L57-K61 PolarHBondContact O-N 3.02Å; I59-K61 VanDerWaalsContact C-N 3.34Å; I59-K61 PolarHBondContact O-N 3.3Å; K61-I182 WeakPolarHBondContact O-CG2 3.14Å
62R93.6Very high96.4Very high20 Ų2029.5 Ų29.58%0.07515%0.147CC..THydrogen-bonded Turntrans-117.1-29.5-174.9-174.7169.2171.2140.411.8115L24 M27 I59 I60 V64 N213 C217 W240L24-R62 HydrophobicContact CD2-CB 4.05Å; L24-R62 VanDerWaalsContact CD2-CD 3.5Å; L24-R62 HydrophobicContact CD2-CG 3.62Å; M27-R62 VanDerWaalsContact SD-CZ 3.51Å; M27-R62 PolarHBondContact SD-NH1 3.22Å; I59-R62 PolarHBondContact O-N 3.45Å; I60-R62 PolarHBondContact O-N 3.06Å; R62-V64 PolarHBondContact O-N 3.09Å; R62-N213 PolarHBondContact NE-OD1 3.27Å; R62-N213 PolarHBondContact NH2-OD1 2.96Å; R62-N213 PolarHBondContact O-ND2 3.04Å; R62-C217 PolarHBondContact NH1-O 2.8Å; R62-C217 PolarHBondContact NH2-O 3.02Å; R62-W240 HydrophobicContact CB-CH2 4.26Å; R62-W240 HydrophobicContact CB-CZ3 4.24Å; R62-W240 HydrophobicContact CG-CD2 4.14Å; R62-W240 HydrophobicContact CG-CE3 3.96Å; R62-W240 HydrophobicContact CG-CH2 3.75Å; R62-W240 HydrophobicContact CG-CZ2 3.92Å; R62-W240 HydrophobicContact CG-CZ3 3.78Å; R62-W240 VanDerWaalsContact NH2-CG 3.25Å; R62-W240 WeakPolarHBondContact O-CH2 3.22Å; R62-W240 VanDerWaalsContact O-CZ2 3.26Å; R62-W240 WeakPolarHBondContact O-CZ2 3.13Å
63S95.8Very high96.4Very high0 Ų028.2 Ų28.20%014%0.138CC..  trans-59.6139.6-179.2177.50000112.4E20 I59 L65 I66 S181E20-S63 PolarHBondContact OE2-OG 2.8Å; I59-S63 PolarHBondContact O-N 2.87Å; S63-L65 PolarHBondContact OG-N 2.63Å; S63-I66 WeakPolarHBondContact OG-CB 3.24Å; S63-I66 WeakPolarHBondContact OG-CG1 3.11Å; S63-I66 PolarHBondContact OG-N 2.86Å; S63-S181 WeakPolarHBondContact O-CB 3.37Å
64V94.8Very high96.5Very high2 Ų226.7 Ų26.71%0.01213%0.13CC..SBendtrans-104.9-3.6172.1-63.20000113.3E20 R62 R183 M186 T206 A209 I210 W240E20-V64 WeakPolarHBondContact OE1-CG2 3.16Å; E20-V64 PolarHBondContact OE1-N 3.23Å; R62-V64 PolarHBondContact O-N 3.09Å; V64-R183 WeakPolarHBondContact O-CD 3.21Å; V64-R183 VanDerWaalsContact O-CG 3.25Å; V64-R183 WeakPolarHBondContact O-CG 3.49Å; V64-M186 HydrophobicContact CG1-CG 4.33Å; V64-T206 HydrophobicContact CG2-CG2 4.22Å; V64-A209 HydrophobicContact CB-CB 4.27Å; V64-A209 HydrophobicContact CG1-CB 3.67Å; V64-A209 HydrophobicContact CG2-CB 3.85Å; V64-I210 HydrophobicContact CG2-CG1 3.68Å; V64-W240 HydrophobicContact CG1-CZ2 4.37Å
65L95.1Very high96.5Very high5 Ų523.7 Ų23.73%0.02611%0.114CC..SBendtrans-104.6-40.7174.4-60.5176000113.2F8 F13 F16 R17 E20 S63 K67 T206 I210F8-L65 HydrophobicContact CD1-CB 4.02Å; F8-L65 WeakPolarHBondContact CD1-O 3.47Å; F8-L65 HydrophobicContact CE1-CB 4.11Å; F13-L65 HydrophobicContact CB-CD2 3.82Å; F13-L65 HydrophobicContact CD2-CD2 4.19Å; F16-L65 HydrophobicContact CB-CD1 3.77Å; R17-L65 HydrophobicContact CG-CB 4.43Å; R17-L65 HydrophobicContact CG-CD1 4.16Å; E20-L65 HydrophobicContact CB-CD1 4.11Å; E20-L65 WeakPolarHBondContact OE2-CB 3.31Å; E20-L65 VanDerWaalsContact OE2-CG 3.3Å; E20-L65 WeakPolarHBondContact OE2-CG 3.25Å; E20-L65 PolarHBondContact OE2-N 3.31Å; S63-L65 PolarHBondContact OG-N 2.63Å; L65-K67 PolarHBondContact O-N 2.93Å; L65-T206 HydrophobicContact CD2-CG2 4.34Å; L65-I210 HydrophobicContact CD1-CD1 4.05Å; L65-I210 HydrophobicContact CD1-CG1 4.26Å; L65-I210 HydrophobicContact CD2-CD1 3.83Å; L65-I210 HydrophobicContact CD2-CG1 4.39Å; L65-I210 HydrophobicContact CG-CD1 4.11Å; L65-I210 HydrophobicContact CG-CG1 4.21Å
66I95.6Very high96.5Very high1 Ų123.5 Ų23.51%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-66.9128.9172.7-58.3167000107F6 F8 I59 I60 S63 S181F6-I66 HydrophobicContact CB-CD1 4.42Å; F6-I66 HydrophobicContact CB-CG1 4.29Å; F6-I66 HydrophobicContact CB-CG2 4.12Å; F6-I66 HydrophobicContact CD1-CD1 4.19Å; F6-I66 HydrophobicContact CD1-CG2 4.17Å; F6-I66 HydrophobicContact CD2-CD1 3.74Å; F6-I66 HydrophobicContact CD2-CG1 4.41Å; F6-I66 HydrophobicContact CE1-CD1 4.39Å; F6-I66 HydrophobicContact CE2-CD1 3.97Å; F6-I66 HydrophobicContact CG-CD1 3.86Å; F6-I66 HydrophobicContact CG-CG1 4.26Å; F6-I66 HydrophobicContact CG-CG2 4.25Å; F6-I66 HydrophobicContact CZ-CD1 4.29Å; F8-I66 HydrophobicContact CD1-CG1 4.2Å; F8-I66 HydrophobicContact CE1-CB 4.27Å; F8-I66 HydrophobicContact CE1-CG1 3.38Å; F8-I66 HydrophobicContact CE2-CG1 4.49Å; F8-I66 HydrophobicContact CZ-CD1 4.4Å; F8-I66 HydrophobicContact CZ-CG1 3.56Å; I59-I66 HydrophobicContact CG2-CD1 3.83Å; I60-I66 HydrophobicContact CG2-CG2 3.97Å; S63-I66 WeakPolarHBondContact OG-CB 3.24Å; S63-I66 WeakPolarHBondContact OG-CG1 3.11Å; S63-I66 PolarHBondContact OG-N 2.86Å; I66-S181 WeakPolarHBondContact O-CB 3.42Å; I66-S181 PolarHBondContact O-OG 3.21Å
67K94.2Very high96.5Very high125 Ų12525.7 Ų25.754%0.54313%0.131SC..EExtended strand (participates in β ladder)trans-87.3-45176.2179.8-173.6173.1-169.70111S7 L65 G180 S181S7-K67 WeakPolarHBondContact O-CB 3.39Å; S7-K67 PolarHBondContact O-N 3.11Å; L65-K67 PolarHBondContact O-N 2.93Å; K67-G180 WeakPolarHBondContact O-CA 3.26Å; K67-S181 PolarHBondContact O-N 2.94Å
68S96.1Very high96.5Very high13 Ų1326.6 Ų26.69%0.09114%0.138CC..EExtended strand (participates in β ladder)trans-159.8154.8-177.451.90000110.5S7 F70 G179S7-S68 PolarHBondContact N-O 3.48Å; S68-F70 WeakPolarHBondContact OG-CE2 3.43Å; S68-F70 WeakPolarHBondContact OG-CZ 3.38Å; S68-G179 CarbonylContact C-O 3.53Å; S68-G179 WeakPolarHBondContact CA-O 3.43Å; S68-G179 WeakPolarHBondContact CB-O 3.48Å
69A97.9Very high96.6Very high0 Ų027.8 Ų27.80%014%0.142CC..EExtended strand (participates in β ladder)trans-117.8149.7173.400000111.6V5 F6 V56 I60 I178 G179V5-A69 CarbonylContact O-C 3.59Å; V5-A69 VanDerWaalsContact O-CA 3.25Å; V5-A69 WeakPolarHBondContact O-CA 3.46Å; F6-A69 HydrophobicContact CD1-CB 3.73Å; F6-A69 HydrophobicContact CE1-CB 3.87Å; V56-A69 HydrophobicContact CG1-CB 3.39Å; I60-A69 HydrophobicContact CD1-CB 4.17Å; I60-A69 HydrophobicContact CG2-CB 3.71Å; A69-I178 HydrophobicContact CB-CB 4.38Å; A69-I178 PolarHBondContact O-N 2.98Å; A69-G179 PolarHBondContact N-O 3.48Å; A69-G179 PolarHBondContact O-N 3.3Å
70F98.5Very high96.7Very high6 Ų631.6 Ų31.63%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-133140.4-179.6-48.8-85.7000110.5Y4 V5 S68 L72 N148 L150 R176 L177Y4-F70 CarbonylContact C-O 3.6Å; Y4-F70 WeakPolarHBondContact CA-O 3.07Å; Y4-F70 WeakPolarHBondContact CB-O 3.48Å; V5-F70 HydrophobicContact CB-CB 4.43Å; V5-F70 HydrophobicContact CB-CD2 4.26Å; V5-F70 PolarHBondContact N-O 3.1Å; V5-F70 PolarHBondContact O-N 2.77Å; S68-F70 WeakPolarHBondContact OG-CE2 3.43Å; S68-F70 WeakPolarHBondContact OG-CZ 3.38Å; F70-L72 PolarHBondContact O-N 3.18Å; F70-N148 HydrophobicContact CD1-CB 3.61Å; F70-N148 HydrophobicContact CE1-CB 3.53Å; F70-N148 VanDerWaalsContact CE1-OD1 3.25Å; F70-N148 WeakPolarHBondContact CE1-OD1 3.42Å; F70-N148 HydrophobicContact CZ-CB 4.32Å; F70-L150 HydrophobicContact CD2-CD1 3.67Å; F70-L150 HydrophobicContact CE2-CD1 3.73Å; F70-L150 HydrophobicContact CE2-CD2 3.96Å; F70-L150 HydrophobicContact CE2-CG 4.45Å; F70-L150 HydrophobicContact CG-CD1 4.4Å; F70-L150 HydrophobicContact CZ-CD2 4Å; F70-R176 CarbonylContact C-O 3.49Å; F70-R176 WeakPolarHBondContact CA-O 3.28Å; F70-R176 WeakPolarHBondContact CB-O 3.06Å; F70-L177 HydrophobicContact CD1-CB 4.23Å; F70-L177 HydrophobicContact CD1-CD1 3.99Å; F70-L177 HydrophobicContact CE1-CB 4.33Å; F70-L177 HydrophobicContact CE1-CD1 3.53Å; F70-L177 HydrophobicContact CZ-CD1 4.27Å
71H98.4Very high96.8Very high16 Ų1635.2 Ų35.27%0.07419%0.186CC..EExtended strand (participates in β ladder)trans-74.1116.2165-178-152.3000108K3 Y4 W73 L93 G175 R176 I178K3-H71 PolarHBondContact O-CD2 3.36Å; Y4-H71 HydrophobicContact CD1-CB 4.15Å; Y4-H71 HydrophobicContact CE1-CB 3.99Å; Y4-H71 AromaticContact CE1-CD2 3.97Å; H71-W73 AromaticContact ND1-NE1 3.61Å; H71-L93 VanDerWaalsContact CE1-CD1 3.42Å; H71-L93 WeakPolarHBondContact CE1-CD1 3.47Å; H71-G175 CarbonylContact O-C 3.59Å; H71-G175 WeakPolarHBondContact O-CA 3.3Å; H71-R176 PolarHBondContact N-O 2.97Å; H71-R176 PolarHBondContact O-N 3Å; H71-I178 HydrophobicContact CB-CD1 3.88Å; H71-I178 HydrophobicContact CB-CG1 4.25Å
72L98.6Very high97.1Very high17 Ų1728.9 Ų28.99%0.08916%0.158CC..EExtended strand (participates in β ladder)trans-79125.2-172.5-177.157.4000110.4K3 V5 V47 F70 C74 D75 L173K3-L72 HydrophobicContact CB-CB 3.97Å; K3-L72 HydrophobicContact CB-CD2 4.11Å; K3-L72 HydrophobicContact CB-CG 4.48Å; K3-L72 WeakPolarHBondContact O-CB 3.39Å; K3-L72 PolarHBondContact O-N 2.79Å; V5-L72 HydrophobicContact CG2-CB 4.01Å; V5-L72 HydrophobicContact CG2-CD1 3.65Å; V5-L72 HydrophobicContact CG2-CD2 4.09Å; V5-L72 HydrophobicContact CG2-CG 4.13Å; V47-L72 HydrophobicContact CG1-CD2 3.77Å; V47-L72 HydrophobicContact CG2-CD2 3.88Å; F70-L72 PolarHBondContact O-N 3.18Å; L72-C74 WeakPolarHBondContact CD1-O 3.36Å; L72-D75 HydrophobicContact CD2-CB 4.3Å; L72-L173 HydrophobicContact CD1-CB 4.16Å; L72-L173 HydrophobicContact CD1-CD2 3.74Å; L72-L173 HydrophobicContact CD2-CD2 4.4Å
73W98.4Very high97.3Very high23 Ų2330.2 Ų30.29%0.08717%0.166CC..EExtended strand (participates in β ladder)trans-102.9-47.4174.4-59.7-20.6000111.5H71 L89 L93 V94 Y97 L98 I147 Y174 R176H71-W73 AromaticContact ND1-NE1 3.61Å; W73-L89 HydrophobicContact CB-CD1 4.23Å; W73-L89 HydrophobicContact CB-CD2 4.04Å; W73-L93 HydrophobicContact CB-CD2 4.47Å; W73-L93 HydrophobicContact CG-CD2 4.18Å; W73-L93 HydrophobicContact CG-CG 4.49Å; W73-V94 HydrophobicContact CD2-CG1 4.39Å; W73-V94 HydrophobicContact CE3-CG1 4.21Å; W73-V94 HydrophobicContact CH2-CG1 4.22Å; W73-V94 HydrophobicContact CZ2-CG1 4.43Å; W73-V94 HydrophobicContact CZ3-CG1 4.12Å; W73-Y97 HydrophobicContact CH2-CD2 4.25Å; W73-Y97 AromaticContact CZ2-CD2 3.75Å; W73-Y97 HydrophobicContact CZ2-CD2 3.75Å; W73-Y97 HydrophobicContact CZ2-CE2 4.28Å; W73-L98 HydrophobicContact CH2-CD1 4.42Å; W73-L98 HydrophobicContact CZ3-CD1 4.14Å; W73-I147 HydrophobicContact CE3-CG2 4.36Å; W73-I147 HydrophobicContact CH2-CD1 3.34Å; W73-I147 HydrophobicContact CH2-CG1 4.04Å; W73-I147 HydrophobicContact CH2-CG2 4.24Å; W73-I147 HydrophobicContact CZ2-CD1 4.07Å; W73-I147 HydrophobicContact CZ3-CD1 3.95Å; W73-I147 HydrophobicContact CZ3-CG1 4.24Å; W73-I147 HydrophobicContact CZ3-CG2 3.66Å; W73-Y174 WeakPolarHBondContact CA-O 3.4Å; W73-Y174 HydrophobicContact CB-CD1 4.46Å; W73-Y174 WeakPolarHBondContact CB-O 3.24Å; W73-Y174 AromaticContact CE3-CD1 3.82Å; W73-Y174 HydrophobicContact CE3-CD1 3.82Å; W73-Y174 AromaticContact CE3-CE1 3.48Å; W73-Y174 HydrophobicContact CE3-CE1 3.48Å; W73-Y174 VanDerWaalsContact CE3-CE1 3.48Å; W73-Y174 AromaticContact CZ3-CE1 3.86Å; W73-Y174 HydrophobicContact CZ3-CE1 3.86Å; W73-Y174 AromaticContact CZ3-CZ 3.96Å; W73-Y174 PolarHBondContact N-O 3.25Å; W73-R176 HydrophobicContact CH2-CB 4.26Å; W73-R176 HydrophobicContact CZ2-CB 3.67Å
74C98.6Very high97.4Very high2 Ų236.4 Ų36.41%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-134.4145-178-51.60000111.5L72 L82 Q85 L173 Y174L72-C74 WeakPolarHBondContact CD1-O 3.36Å; C74-L82 HydrophobicContact CB-CD1 3.49Å; C74-L82 VanDerWaalsContact CB-CD1 3.49Å; C74-L82 HydrophobicContact CB-CG 4.45Å; C74-Q85 HydrophobicContact CB-CB 3.99Å; C74-Q85 VanDerWaalsContact CB-OE1 3.26Å; C74-L173 WeakPolarHBondContact O-CA 3.45Å; C74-Y174 PolarHBondContact N-O 3.28Å; C74-Y174 VanDerWaalsContact N-O 3.1Å; C74-Y174 PolarHBondContact O-N 2.53Å
75D98Very high97.6Very high56 Ų5639.8 Ų39.830%0.29921%0.211SC..EExtended strand (participates in β ladder)trans-140.4113.3178-176.43.4000109.1L72 Q85 R171 L173L72-D75 HydrophobicContact CD2-CB 4.3Å; D75-Q85 PolarHBondContact O-NE2 2.73Å; D75-Q85 PolarHBondContact O-OE1 3.33Å; D75-R171 WeakPolarHBondContact OD1-CG 3.45Å; D75-R171 IonicContact OD1-CZ 3.74Å; D75-R171 IonicContact OD1-NE 3.77Å; D75-R171 PolarHBondContact OD1-NE 2.89Å; D75-R171 IonicContact OD1-NH2 3.63Å; D75-R171 IonicContact OD2-CZ 2.62Å; D75-R171 IonicContact OD2-NE 2.81Å; D75-R171 PolarHBondContact OD2-NE 2.86Å; D75-R171 IonicContact OD2-NH2 2.66Å; D75-R171 PolarHBondContact OD2-NH2 2.84Å; D75-L173 HydrophobicContact CB-CD2 3.79Å; D75-L173 VanDerWaalsContact CG-CD2 3.45Å; D75-L173 WeakPolarHBondContact OD1-CD2 3.35Å
76A98.4Very high97.8Very high5 Ų539.7 Ų39.74%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-140.8155-170.400000111.7E81 L82 R171 L172A76-E81 HydrophobicContact CB-CB 3.78Å; A76-L82 HydrophobicContact CB-CB 3.83Å; A76-L82 HydrophobicContact CB-CD1 3.94Å; A76-R171 CarbonylContact O-C 3.56Å; A76-R171 WeakPolarHBondContact O-CA 3.34Å; A76-L172 PolarHBondContact N-O 3.08Å; A76-L172 PolarHBondContact O-N 3.46Å
77A96.8Very high97.9Very high47 Ų4741.4 Ų41.439%0.38823%0.225SC..SBendtrans-85.2-28.817400000111.8E81 L172A77-E81 WeakPolarHBondContact CB-OE2 3.46Å; A77-E81 PolarHBondContact N-OE2 2.81Å; A77-L172 WeakPolarHBondContact O-CD1 3.31Å
78T97.5Very high98Very high59 Ų5941.3 Ų41.336%0.36223%0.23SC..SBendtrans-127.5160-177.468.80000112.6S80 E81 L82 L172T78-S80 VanDerWaalsContact C-N 3.3Å; T78-S80 PolarHBondContact O-N 3.25Å; T78-E81 PolarHBondContact N-OE2 3.07Å; T78-E81 PolarHBondContact O-N 3.07Å; T78-E81 VanDerWaalsContact OG1-CD 3.26Å; T78-E81 VanDerWaalsContact OG1-CG 3.3Å; T78-E81 WeakPolarHBondContact OG1-CG 3.23Å; T78-E81 PolarHBondContact OG1-N 3.23Å; T78-E81 PolarHBondContact OG1-OE1 3.31Å; T78-L82 PolarHBondContact O-N 3.32Å; T78-L82 VanDerWaalsContact O-N 3.09Å; T78-L172 VanDerWaalsContact C-CD1 3.47Å
79L97.5Very high98.1Very high51 Ų5141.4 Ų41.427%0.26723%0.23SC..Hα-helixtrans-64.1-37.2176.4-179.159.3000111.6L82 I83 I123 I127 L172L79-L82 HydrophobicContact CD1-CD2 4.45Å; L79-L82 WeakPolarHBondContact O-CB 3.37Å; L79-L82 PolarHBondContact O-N 3.35Å; L79-I83 HydrophobicContact CD1-CD1 4.38Å; L79-I83 HydrophobicContact CD1-CG1 4.44Å; L79-I83 HydrophobicContact CG-CD1 3.99Å; L79-I83 WeakPolarHBondContact O-CD1 3.46Å; L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 3.07Å; L79-I123 HydrophobicContact CD1-CG2 4.28Å; L79-I127 HydrophobicContact CD1-CD1 3.98Å; L79-I127 HydrophobicContact CD1-CG1 3.89Å; L79-L172 HydrophobicContact CB-CD2 4.18Å; L79-L172 HydrophobicContact CD1-CD2 4.06Å
80S98Very high98.1Very high80 Ų8044.7 Ų44.756%0.55925%0.251SS*.Hα-helixtrans-61.3-48.3176.6-58.70000112.1T78 L82 I83 E84T78-S80 VanDerWaalsContact C-N 3.3Å; T78-S80 PolarHBondContact O-N 3.25Å; S80-L82 VanDerWaalsContact C-N 3.29Å; S80-L82 PolarHBondContact O-N 3.15Å; S80-I83 WeakPolarHBondContact O-CB 3.47Å; S80-I83 PolarHBondContact O-N 3.33Å; S80-E84 PolarHBondContact O-N 3.28Å; S80-E84 VanDerWaalsContact O-N 3.1Å
81E98.4Very high97.9Very high78 Ų7847.2 Ų47.236%0.36427%0.27SS..Hα-helixtrans-60-39.7174.5-75.2161.3-14500112.1A76 A77 T78 E84 Q85A76-E81 HydrophobicContact CB-CB 3.78Å; A77-E81 WeakPolarHBondContact CB-OE2 3.46Å; A77-E81 PolarHBondContact N-OE2 2.81Å; T78-E81 PolarHBondContact N-OE2 3.07Å; T78-E81 PolarHBondContact O-N 3.07Å; T78-E81 VanDerWaalsContact OG1-CD 3.26Å; T78-E81 VanDerWaalsContact OG1-CG 3.3Å; T78-E81 WeakPolarHBondContact OG1-CG 3.23Å; T78-E81 PolarHBondContact OG1-N 3.23Å; T78-E81 PolarHBondContact OG1-OE1 3.31Å; E81-E84 PolarHBondContact O-N 2.88Å; E81-Q85 WeakPolarHBondContact O-CG 3.41Å; E81-Q85 PolarHBondContact O-N 2.87Å
82L98.5Very high97.7Very high0 Ų054.5 Ų54.50%030%0.304CS..Hα-helixtrans-63.1-43.8178-167.678.6000111.3C74 A76 T78 L79 S80 E84 Q85 V86 I127 L172C74-L82 HydrophobicContact CB-CD1 3.49Å; C74-L82 VanDerWaalsContact CB-CD1 3.49Å; C74-L82 HydrophobicContact CB-CG 4.45Å; A76-L82 HydrophobicContact CB-CB 3.83Å; A76-L82 HydrophobicContact CB-CD1 3.94Å; T78-L82 PolarHBondContact O-N 3.32Å; T78-L82 VanDerWaalsContact O-N 3.09Å; L79-L82 HydrophobicContact CD1-CD2 4.45Å; L79-L82 WeakPolarHBondContact O-CB 3.37Å; L79-L82 PolarHBondContact O-N 3.35Å; S80-L82 VanDerWaalsContact C-N 3.29Å; S80-L82 PolarHBondContact O-N 3.15Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 2.88Å; L82-Q85 PolarHBondContact O-N 2.94Å; L82-V86 HydrophobicContact CG-CG2 4.5Å; L82-V86 VanDerWaalsContact O-CG2 3.27Å; L82-V86 WeakPolarHBondContact O-CG2 3.35Å; L82-V86 PolarHBondContact O-N 2.87Å; L82-I127 HydrophobicContact CD2-CD1 3.48Å; L82-I127 VanDerWaalsContact CD2-CD1 3.48Å; L82-I127 HydrophobicContact CD2-CG1 3.92Å; L82-L172 HydrophobicContact CD1-CB 4.23Å; L82-L172 HydrophobicContact CD2-CB 4.05Å; L82-L172 HydrophobicContact CD2-CD2 4.04Å
83I98.5Very high97.6Very high48 Ų4855.9 Ų55.925%0.24631%0.311CS..Hα-helixtrans-59.4-45.2177.3-70.9159.3000110.5L79 S80 Q85 V86 A87 T126 A130L79-I83 HydrophobicContact CD1-CD1 4.38Å; L79-I83 HydrophobicContact CD1-CG1 4.44Å; L79-I83 HydrophobicContact CG-CD1 3.99Å; L79-I83 WeakPolarHBondContact O-CD1 3.46Å; L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 3.07Å; S80-I83 WeakPolarHBondContact O-CB 3.47Å; S80-I83 PolarHBondContact O-N 3.33Å; I83-Q85 VanDerWaalsContact C-N 3.33Å; I83-Q85 PolarHBondContact O-N 2.8Å; I83-V86 PolarHBondContact O-N 3.32Å; I83-A87 WeakPolarHBondContact O-CB 3.42Å; I83-A87 PolarHBondContact O-N 2.98Å; I83-T126 HydrophobicContact CD1-CG2 3.38Å; I83-T126 HydrophobicContact CG1-CG2 4.1Å; I83-A130 HydrophobicContact CB-CB 4.35Å; I83-A130 HydrophobicContact CG1-CB 4.49Å; I83-A130 HydrophobicContact CG2-CB 3.81Å
84E98.4Very high97.5Very high131 Ų13155.1 Ų55.161%0.61231%0.309SS*.Hα-helixtrans-61.1-41176.3-70.3177.9-171.700112S80 E81 L82 N88S80-E84 PolarHBondContact O-N 3.28Å; S80-E84 VanDerWaalsContact O-N 3.1Å; E81-E84 PolarHBondContact O-N 2.88Å; L82-E84 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 2.88Å; E84-N88 PolarHBondContact O-N 2.91Å; E84-N88 PolarHBondContact O-ND2 3.49Å
85Q98.5Very high97.4Very high73 Ų7357.6 Ų57.634%0.34132%0.322SS..Hα-helixtrans-65.4-43.4175.1-69.7179.322.300111.8C74 D75 E81 L82 I83 A87 N88 L89C74-Q85 HydrophobicContact CB-CB 3.99Å; C74-Q85 VanDerWaalsContact CB-OE1 3.26Å; D75-Q85 PolarHBondContact O-NE2 2.73Å; D75-Q85 PolarHBondContact O-OE1 3.33Å; E81-Q85 WeakPolarHBondContact O-CG 3.41Å; E81-Q85 PolarHBondContact O-N 2.87Å; L82-Q85 PolarHBondContact O-N 2.94Å; I83-Q85 VanDerWaalsContact C-N 3.33Å; I83-Q85 PolarHBondContact O-N 2.8Å; Q85-A87 PolarHBondContact O-N 2.95Å; Q85-N88 CarbonylContact O-C 3.59Å; Q85-N88 PolarHBondContact O-N 2.79Å; Q85-N88 VanDerWaalsContact O-N 3.1Å; Q85-L89 PolarHBondContact O-N 3.01Å
86V98.5Very high97.3Very high3 Ų358 Ų582%0.01833%0.328CS..Hα-helixtrans-61.9-44179.4171.20000111.5L82 I83 N88 L89 I127 A130 H131 Y174L82-V86 HydrophobicContact CG-CG2 4.5Å; L82-V86 VanDerWaalsContact O-CG2 3.27Å; L82-V86 WeakPolarHBondContact O-CG2 3.35Å; L82-V86 PolarHBondContact O-N 2.87Å; I83-V86 PolarHBondContact O-N 3.32Å; V86-N88 PolarHBondContact O-N 3.34Å; V86-N88 VanDerWaalsContact O-N 3.09Å; V86-L89 HydrophobicContact CG1-CD1 4.44Å; V86-L89 HydrophobicContact CG2-CD1 4.43Å; V86-L89 PolarHBondContact O-N 3.42Å; V86-L89 VanDerWaalsContact O-N 3.11Å; V86-I127 HydrophobicContact CG2-CG2 4.33Å; V86-A130 HydrophobicContact CB-CB 4Å; V86-A130 HydrophobicContact CG1-CB 3.71Å; V86-H131 WeakPolarHBondContact CG1-CD2 3.38Å; V86-H131 WeakPolarHBondContact CG1-NE2 3.2Å; V86-Y174 HydrophobicContact CG2-CD1 3.84Å; V86-Y174 HydrophobicContact CG2-CE1 4.06Å
87A97.8Very high97.3Very high36 Ų3660 Ų6030%0.29833%0.334SS..Hα-helixtrans-60.3-21.2176.700000113.4I83 Q85 A130 K132I83-A87 WeakPolarHBondContact O-CB 3.42Å; I83-A87 PolarHBondContact O-N 2.98Å; Q85-A87 PolarHBondContact O-N 2.95Å; A87-A130 VanDerWaalsContact CA-O 3.25Å; A87-A130 WeakPolarHBondContact CA-O 3.41Å; A87-K132 WeakPolarHBondContact O-CE 3.4Å
88N97.6Very high97.3Very high123 Ų12357.8 Ų57.866%0.65832%0.316SS*.THydrogen-bonded Turntrans-104.45.4-179.4-70.2-57.5000114.1E84 Q85 V86E84-N88 PolarHBondContact O-N 2.91Å; E84-N88 PolarHBondContact O-ND2 3.49Å; Q85-N88 CarbonylContact O-C 3.59Å; Q85-N88 PolarHBondContact O-N 2.79Å; Q85-N88 VanDerWaalsContact O-N 3.1Å; V86-N88 PolarHBondContact O-N 3.34Å; V86-N88 VanDerWaalsContact O-N 3.09Å
89L97.7Very high97.3Very high16 Ų1655.7 Ų55.78%0.08430%0.303CS..  trans-62.6138.5178.6-73173000111.8W73 Q85 V86 S91 L93 V94 Y174W73-L89 HydrophobicContact CB-CD1 4.23Å; W73-L89 HydrophobicContact CB-CD2 4.04Å; Q85-L89 PolarHBondContact O-N 3.01Å; V86-L89 HydrophobicContact CG1-CD1 4.44Å; V86-L89 HydrophobicContact CG2-CD1 4.43Å; V86-L89 PolarHBondContact O-N 3.42Å; V86-L89 VanDerWaalsContact O-N 3.11Å; L89-S91 PolarHBondContact O-N 2.9Å; L89-L93 HydrophobicContact CD2-CD2 4.03Å; L89-V94 HydrophobicContact CB-CG1 4.26Å; L89-V94 HydrophobicContact CD1-CG1 3.91Å; L89-Y174 HydrophobicContact CD1-CE1 4.41Å
90P96.4Very high97.1Very high68 Ų6855.3 Ų55.344%0.44231%0.311SS..  trans-62.7133.5171.6-21.433.1000111.2E92 L93P90-E92 VanDerWaalsContact C-N 3.28Å; P90-E92 HydrophobicContact CB-CG 3.91Å; P90-E92 PolarHBondContact O-N 3.42Å; P90-L93 HydrophobicContact CB-CB 4.4Å; P90-L93 VanDerWaalsContact O-CB 3.31Å; P90-L93 WeakPolarHBondContact O-CB 3.21Å; P90-L93 PolarHBondContact O-N 2.8Å
91S94.8Very high97Very high60 Ų6057.9 Ų57.942%0.4233%0.328SS..Hα-helixtrans-57.1-41179.5-62.10000112.2L89 L93 V94 D95L89-S91 PolarHBondContact O-N 2.9Å; S91-L93 PolarHBondContact O-N 2.96Å; S91-V94 PolarHBondContact O-N 2.9Å; S91-V94 VanDerWaalsContact O-N 3.09Å; S91-D95 WeakPolarHBondContact CB-OD2 3.43Å; S91-D95 WeakPolarHBondContact O-CB 3.47Å; S91-D95 PolarHBondContact O-N 2.82Å
92E95.5Very high96.9Very high169 Ų16957.6 Ų57.679%0.7933%0.329SS*.Hα-helixtrans-57.1-23.7176.162.9-169.8-154.600114.9P90P90-E92 VanDerWaalsContact C-N 3.28Å; P90-E92 HydrophobicContact CB-CG 3.91Å; P90-E92 PolarHBondContact O-N 3.42Å
93L95.8Very high96.8Very high46 Ų4658.7 Ų58.724%0.24134%0.335CS..Hα-helixtrans-81.5-32.6179.5-178.164000112.5H71 W73 L89 P90 S91 Y97H71-L93 VanDerWaalsContact CE1-CD1 3.42Å; H71-L93 WeakPolarHBondContact CE1-CD1 3.47Å; W73-L93 HydrophobicContact CB-CD2 4.47Å; W73-L93 HydrophobicContact CG-CD2 4.18Å; W73-L93 HydrophobicContact CG-CG 4.49Å; L89-L93 HydrophobicContact CD2-CD2 4.03Å; P90-L93 HydrophobicContact CB-CB 4.4Å; P90-L93 VanDerWaalsContact O-CB 3.31Å; P90-L93 WeakPolarHBondContact O-CB 3.21Å; P90-L93 PolarHBondContact O-N 2.8Å; S91-L93 PolarHBondContact O-N 2.96Å; L93-Y97 WeakPolarHBondContact O-CD2 3.24Å; L93-Y97 WeakPolarHBondContact O-CE2 3.37Å
94V96.8Very high96.8Very high7 Ų756.5 Ų56.54%0.04232%0.324CS..Hα-helixtrans-111.5-30.5-169.7-63.80000113.4W73 L89 S91 P96 Y97 L98W73-V94 HydrophobicContact CD2-CG1 4.39Å; W73-V94 HydrophobicContact CE3-CG1 4.21Å; W73-V94 HydrophobicContact CH2-CG1 4.22Å; W73-V94 HydrophobicContact CZ2-CG1 4.43Å; W73-V94 HydrophobicContact CZ3-CG1 4.12Å; L89-V94 HydrophobicContact CB-CG1 4.26Å; L89-V94 HydrophobicContact CD1-CG1 3.91Å; S91-V94 PolarHBondContact O-N 2.9Å; S91-V94 VanDerWaalsContact O-N 3.09Å; V94-P96 VanDerWaalsContact C-CD 3.41Å; V94-P96 VanDerWaalsContact C-N 3.34Å; V94-Y97 PolarHBondContact O-N 2.87Å; V94-L98 HydrophobicContact CB-CD1 4.33Å; V94-L98 PolarHBondContact O-N 3.36Å
95D96.3Very high96.8Very high54 Ų5452.5 Ų52.529%0.28931%0.305SS..Hα-helixtrans-54.2-41.1-177-76.2-5.4000113.3S91 Y97 N99S91-D95 WeakPolarHBondContact CB-OD2 3.43Å; S91-D95 WeakPolarHBondContact O-CB 3.47Å; S91-D95 PolarHBondContact O-N 2.82Å; D95-Y97 PolarHBondContact O-N 2.95Å; D95-N99 HydrophobicContact CB-CB 4.42Å; D95-N99 CarbonylContact O-C 3.56Å; D95-N99 WeakPolarHBondContact O-CA 3.39Å; D95-N99 PolarHBondContact O-N 2.9Å; D95-N99 VanDerWaalsContact O-N 3.11Å; D95-N99 PolarHBondContact OD1-ND2 3.04Å
96P96.2Very high96.8Very high65 Ų6550.3 Ų50.342%0.42230%0.295SS..Hα-helixtrans-62.4-11.5178.3-24.135.4000115.1V94 H145V94-P96 VanDerWaalsContact C-CD 3.41Å; V94-P96 VanDerWaalsContact C-N 3.34Å; P96-H145 PolarHBondContact O-NE2 2.76Å
97Y97.2Very high96.7Very high46 Ų4652.6 Ų52.618%0.1831%0.309CS..Hα-helixtrans-126.8-30-169.3-47.2-62.7000113.9W73 L93 V94 D95 H145 R176W73-Y97 HydrophobicContact CH2-CD2 4.25Å; W73-Y97 AromaticContact CZ2-CD2 3.75Å; W73-Y97 HydrophobicContact CZ2-CD2 3.75Å; W73-Y97 HydrophobicContact CZ2-CE2 4.28Å; L93-Y97 WeakPolarHBondContact O-CD2 3.24Å; L93-Y97 WeakPolarHBondContact O-CE2 3.37Å; V94-Y97 PolarHBondContact O-N 2.87Å; D95-Y97 PolarHBondContact O-N 2.95Å; Y97-H145 AromaticContact CD1-CE1 3.79Å; Y97-H145 AromaticContact CD1-CG 3.84Å; Y97-H145 AromaticContact CD1-ND1 3.52Å; Y97-R176 VanDerWaalsContact CZ-CD 3.45Å; Y97-R176 PolarHBondContact OH-NE 2.95Å; Y97-R176 PolarHBondContact OH-NH2 2.85Å
98L97.7Very high96.7Very high0 Ų051.4 Ų51.40%030%0.297CS..Hα-helixtrans-112-6.6-178.3-67.5-179000112.8W73 V94 F104 H131 D135 A136 I147W73-L98 HydrophobicContact CH2-CD1 4.42Å; W73-L98 HydrophobicContact CZ3-CD1 4.14Å; V94-L98 HydrophobicContact CB-CD1 4.33Å; V94-L98 PolarHBondContact O-N 3.36Å; L98-F104 HydrophobicContact CD2-CD1 4.29Å; L98-F104 HydrophobicContact CD2-CD2 3.54Å; L98-F104 HydrophobicContact CD2-CE1 4.36Å; L98-F104 HydrophobicContact CD2-CE2 3.64Å; L98-F104 HydrophobicContact CD2-CG 3.88Å; L98-F104 HydrophobicContact CD2-CZ 4.06Å; L98-H131 WeakPolarHBondContact CD1-CE1 3.47Å; L98-D135 PolarHBondContact O-N 2.81Å; L98-A136 VanDerWaalsContact C-CB 3.42Å; L98-A136 WeakPolarHBondContact O-CB 3.36Å; L98-A136 PolarHBondContact O-N 2.99Å; L98-I147 HydrophobicContact CD2-CG1 3.85Å; L98-I147 HydrophobicContact CG-CG1 4.46Å
99N96.4Very high96.6Very high15 Ų1547.2 Ų47.28%0.0828%0.277CS..SBendtrans-132.5152.8179.8-62.6-57000111.8D95 R133 I134 D135D95-N99 HydrophobicContact CB-CB 4.42Å; D95-N99 CarbonylContact O-C 3.56Å; D95-N99 WeakPolarHBondContact O-CA 3.39Å; D95-N99 PolarHBondContact O-N 2.9Å; D95-N99 VanDerWaalsContact O-N 3.11Å; D95-N99 PolarHBondContact OD1-ND2 3.04Å; N99-R133 PolarHBondContact ND2-O 3.41Å; N99-R133 VanDerWaalsContact ND2-O 3.15Å; N99-R133 WeakPolarHBondContact OD1-CG 3.47Å; N99-R133 PolarHBondContact OD1-O 3.4Å; N99-I134 WeakPolarHBondContact OD1-CA 3.39Å; N99-I134 PolarHBondContact OD1-N 2.62Å; N99-D135 WeakPolarHBondContact CA-OD1 3.35Å; N99-D135 VanDerWaalsContact CB-OD1 3.27Å; N99-D135 WeakPolarHBondContact CB-OD1 3.03Å; N99-D135 PolarHBondContact OD1-N 2.89Å; N99-D135 PolarHBondContact OD1-OD1 3.45Å
100G93.8Very high96.5Very high43 Ų4348.1 Ų48.144%0.44329%0.285SS..SBendtrans98.2-157.4179.800000114.6D135G100-D135 PolarHBondContact N-OD1 2.86Å
101C95.2Very high96.3Very high135 Ų13545.3 Ų45.391%0.91227%0.268SS*.SBendtrans-82.7-16.2-171.2-60.60000114.3
102D96.4Very high96.1Very high72 Ų7245.9 Ų45.939%0.38526%0.264SS..SBendtrans-71.7160.6179.7-71.1-3.4000110.8A136 D144 H145D102-A136 WeakPolarHBondContact O-CB 3.27Å; D102-D144 HydrophobicContact CB-CB 4.09Å; D102-H145 IonicContact OD2-CD2 3.86Å; D102-H145 IonicContact OD2-CE1 2.63Å; D102-H145 IonicContact OD2-NE2 3.12Å; D102-H145 PolarHBondContact OD2-NE2 3.42Å
103T97.9Very high95.9Very high22 Ų2241 Ų4114%0.13524%0.24CC..EExtended strand (participates in β ladder)trans-105.5151.3177.566.80000111.8Q137 P143 D144 H145T103-Q137 CarbonylContact C-O 3.55Å; T103-Q137 WeakPolarHBondContact CA-O 3.45Å; T103-Q137 WeakPolarHBondContact CB-O 3.5Å; T103-Q137 HydrophobicContact CG2-CB 4.29Å; T103-P143 WeakPolarHBondContact OG1-CA 3.4Å; T103-D144 WeakPolarHBondContact CB-OD2 3.39Å; T103-D144 PolarHBondContact N-OD2 3.12Å; T103-D144 WeakPolarHBondContact O-CA 3.42Å; T103-D144 WeakPolarHBondContact O-CB 3.36Å; T103-D144 PolarHBondContact O-N 2.94Å; T103-D144 PolarHBondContact OG1-N 2.99Å; T103-D144 VanDerWaalsContact OG1-N 3.12Å; T103-D144 PolarHBondContact OG1-OD2 2.67Å; T103-H145 PolarHBondContact O-N 2.76Å
104F98.2Very high95.7Very high3 Ų348.5 Ų48.51%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-135.7163.9177.979.3-79.7000113.7L98 I106 L128 I134 A136 Q137 V138 S139 H145L98-F104 HydrophobicContact CD2-CD1 4.29Å; L98-F104 HydrophobicContact CD2-CD2 3.54Å; L98-F104 HydrophobicContact CD2-CE1 4.36Å; L98-F104 HydrophobicContact CD2-CE2 3.64Å; L98-F104 HydrophobicContact CD2-CG 3.88Å; L98-F104 HydrophobicContact CD2-CZ 4.06Å; F104-I106 HydrophobicContact CD2-CD1 4.3Å; F104-I106 HydrophobicContact CD2-CG1 4.3Å; F104-I106 HydrophobicContact CE2-CD1 4.06Å; F104-I106 HydrophobicContact CE2-CG1 3.9Å; F104-L128 HydrophobicContact CE2-CD2 4.18Å; F104-L128 HydrophobicContact CZ-CD2 4.47Å; F104-I134 HydrophobicContact CE1-CG2 3.88Å; F104-I134 HydrophobicContact CZ-CG2 3.78Å; F104-A136 HydrophobicContact CD1-CB 3.68Å; F104-A136 HydrophobicContact CE1-CB 4.03Å; F104-A136 WeakPolarHBondContact CE1-O 3.46Å; F104-Q137 PolarHBondContact N-O 2.82Å; F104-V138 HydrophobicContact CE1-CG2 3.88Å; F104-V138 HydrophobicContact CE2-CG2 4.33Å; F104-V138 HydrophobicContact CZ-CG2 3.74Å; F104-V138 CarbonylContact O-C 3.47Å; F104-V138 WeakPolarHBondContact O-CA 3.1Å; F104-S139 PolarHBondContact O-N 3.32Å; F104-H145 CarbonylContact C-O 3.38Å; F104-H145 WeakPolarHBondContact CA-O 3.5Å; F104-H145 HydrophobicContact CB-CB 4.2Å
105K97.9Very high95.5Very high47 Ų4749.1 Ų49.120%0.20427%0.274CS..EExtended strand (participates in β ladder)trans-133.9155.3164.276.6-179.5167-159.10112V107 S139 P143 H145 Q146 I147K105-V107 HydrophobicContact CD-CG2 4.05Å; K105-V107 HydrophobicContact CG-CG2 4.17Å; K105-S139 WeakPolarHBondContact CB-O 3.44Å; K105-P143 HydrophobicContact CB-CB 4.17Å; K105-P143 HydrophobicContact CB-CG 4.19Å; K105-P143 HydrophobicContact CD-CB 4.48Å; K105-P143 HydrophobicContact CD-CG 3.6Å; K105-P143 HydrophobicContact CG-CB 4.16Å; K105-P143 HydrophobicContact CG-CG 3.73Å; K105-H145 PolarHBondContact N-O 3.09Å; K105-Q146 HydrophobicContact CD-CG 4.41Å; K105-Q146 HydrophobicContact CG-CB 4.3Å; K105-Q146 HydrophobicContact CG-CG 3.91Å; K105-I147 PolarHBondContact O-N 3.3Å
106I98.1Very high95.5Very high27 Ų2753.3 Ų53.314%0.13829%0.289CS..EExtended strand (participates in β ladder)trans-104.1130.3170.8-57.2-73.8000109.7F104 I124 L128 I147 I149F104-I106 HydrophobicContact CD2-CD1 4.3Å; F104-I106 HydrophobicContact CD2-CG1 4.3Å; F104-I106 HydrophobicContact CE2-CD1 4.06Å; F104-I106 HydrophobicContact CE2-CG1 3.9Å; I106-I124 HydrophobicContact CB-CG2 4.02Å; I106-I124 HydrophobicContact CG1-CG2 4.23Å; I106-I124 HydrophobicContact CG2-CB 4.42Å; I106-I124 HydrophobicContact CG2-CD1 4.14Å; I106-I124 HydrophobicContact CG2-CG1 3.85Å; I106-I124 HydrophobicContact CG2-CG2 3.81Å; I106-L128 HydrophobicContact CD1-CD2 3.86Å; I106-L128 HydrophobicContact CG1-CD1 4.34Å; I106-L128 HydrophobicContact CG1-CD2 3.99Å; I106-I147 CarbonylContact C-O 3.43Å; I106-I147 WeakPolarHBondContact CA-O 3.08Å; I106-I147 HydrophobicContact CD1-CB 3.67Å; I106-I147 HydrophobicContact CD1-CG1 4.48Å; I106-I147 HydrophobicContact CD1-CG2 3.94Å; I106-I149 HydrophobicContact CG2-CD1 3.66Å; I106-I149 HydrophobicContact CG2-CG1 4.31Å
107V97.3Very high95.3Very high51 Ų5155.3 Ų55.331%0.30929%0.293SS..EExtended strand (participates in β ladder)trans-121.6110.7174.1177.30000109.8K105 Q146 I147 N148 I149K105-V107 HydrophobicContact CD-CG2 4.05Å; K105-V107 HydrophobicContact CG-CG2 4.17Å; V107-Q146 HydrophobicContact CB-CG 4.45Å; V107-Q146 HydrophobicContact CG2-CG 3.92Å; V107-I147 PolarHBondContact N-O 3.43Å; V107-N148 WeakPolarHBondContact CB-ND2 3.36Å; V107-N148 WeakPolarHBondContact O-CA 3.02Å; V107-N148 PolarHBondContact O-ND2 3.39Å; V107-I149 PolarHBondContact O-N 2.96Å; V107-I149 VanDerWaalsContact O-N 3.07Å
108L97.9Very high95.2Very high10 Ų1059.2 Ų59.25%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-92.4121173.3-170.6165000110.8L115 K120 I123 I124 I149 L151L108-L115 HydrophobicContact CD2-CD1 3.94Å; L108-K120 HydrophobicContact CB-CD 4.41Å; L108-K120 HydrophobicContact CD1-CB 4.08Å; L108-K120 HydrophobicContact CD1-CG 4.25Å; L108-K120 HydrophobicContact CD2-CD 4.12Å; L108-K120 HydrophobicContact CD2-CG 3.84Å; L108-K120 HydrophobicContact CG-CG 4.42Å; L108-I123 HydrophobicContact CD1-CB 3.89Å; L108-I123 HydrophobicContact CD1-CD1 4.27Å; L108-I123 HydrophobicContact CD1-CG2 3.78Å; L108-I124 HydrophobicContact CB-CD1 4.11Å; L108-I124 HydrophobicContact CB-CG1 4.22Å; L108-I124 HydrophobicContact CD1-CG1 4.14Å; L108-I149 WeakPolarHBondContact CA-O 3.36Å; L108-I149 HydrophobicContact CB-CB 4.29Å; L108-I149 HydrophobicContact CD1-CG2 4.31Å; L108-I149 HydrophobicContact CG-CB 4.1Å; L108-I149 HydrophobicContact CG-CG2 4.16Å; L108-L151 HydrophobicContact CD1-CD1 4.16Å; L108-L151 HydrophobicContact CD2-CD1 3.77Å; L108-L151 HydrophobicContact CD2-CG 4.21Å; L108-L151 HydrophobicContact CG-CD1 4.23Å; L108-L151 HydrophobicContact CG-CG 4.47Å
109S95.4Very high95.1Very high35 Ų3563.1 Ų63.125%0.24533%0.331CS..EExtended strand (participates in β ladder)trans-124.3151.1175.171.40000111.2I149 L150 L151S109-I149 PolarHBondContact N-O 3.47Å; S109-L150 WeakPolarHBondContact O-CA 3.2Å; S109-L150 WeakPolarHBondContact OG-CD2 3.4Å; S109-L151 PolarHBondContact O-N 3.24Å
110S94.8Very high95.1Very high35 Ų3564.5 Ų64.525%0.24534%0.336CS..EExtended strand (participates in β ladder)trans-131.2145.4-17938.30000111K113 L151S110-K113 WeakPolarHBondContact CB-O 3.45Å; S110-K113 PolarHBondContact OG-O 3.26Å; S110-L151 CarbonylContact C-O 3.57Å; S110-L151 VanDerWaalsContact CA-O 3.23Å; S110-L151 WeakPolarHBondContact CA-O 3.32Å
111A93.6Very high95.2Very high9 Ų966 Ų667%0.07433%0.333CS..EExtended strand (participates in β ladder)trans-104.8146.5169.400000110.1P44 F45 K113 L151 Y153P44-A111 HydrophobicContact CB-CB 3.63Å; P44-A111 HydrophobicContact CG-CB 3.41Å; P44-A111 VanDerWaalsContact CG-CB 3.41Å; F45-A111 HydrophobicContact CE2-CB 3.82Å; F45-A111 HydrophobicContact CZ-CB 4.01Å; A111-K113 PolarHBondContact O-N 2.87Å; A111-L151 PolarHBondContact N-O 2.93Å; A111-Y153 PolarHBondContact O-N 3.09Å
112H90.2Very high95.4Very high73 Ų7362.7 Ų62.734%0.33831%0.31SS..SBendtrans62-9.9178.2-51.1-67.6000117.6Y153H112-Y153 WeakPolarHBondContact CB-O 3.37Å; H112-Y153 PolarHBondContact CD2-O 2.93Å
113K91.7Very high95.4Very high67 Ų6760.7 Ų60.729%0.29130%0.299SS..SBendtrans-131.8137.4169.6-171.3-178.5175-170.30109.2S110 A111 L115 Y153S110-K113 WeakPolarHBondContact CB-O 3.45Å; S110-K113 PolarHBondContact OG-O 3.26Å; A111-K113 PolarHBondContact O-N 2.87Å; K113-L115 HydrophobicContact CD-CD2 3.94Å; K113-L115 HydrophobicContact CG-CD2 4.31Å; K113-Y153 HydrophobicContact CB-CD1 4.07Å; K113-Y153 HydrophobicContact CB-CD2 3.56Å; K113-Y153 HydrophobicContact CB-CE1 4.47Å; K113-Y153 HydrophobicContact CB-CE2 4.01Å; K113-Y153 HydrophobicContact CB-CG 3.59Å; K113-Y153 HydrophobicContact CD-CD1 3.59Å; K113-Y153 HydrophobicContact CD-CD2 4.22Å; K113-Y153 HydrophobicContact CD-CE1 3.37Å; K113-Y153 HydrophobicContact CD-CE2 4.03Å; K113-Y153 HydrophobicContact CD-CG 4.02Å; K113-Y153 HydrophobicContact CG-CD1 4.48Å; K113-Y153 HydrophobicContact CG-CG 4.46Å
114K90.8Very high95.4Very high203 Ų20361 Ų6188%0.88330%0.299SS*.  trans-88.5133.6166.7-69.9-175.9178.3-179.60108.2
115L93.2Very high95.4Very high20 Ų2065.9 Ų65.911%0.10532%0.322CS..  trans-112.5136.2175.4-63.6173.5000109.7L108 K113 K120 L151 Y153L108-L115 HydrophobicContact CD2-CD1 3.94Å; K113-L115 HydrophobicContact CD-CD2 3.94Å; K113-L115 HydrophobicContact CG-CD2 4.31Å; L115-K120 HydrophobicContact CB-CG 4.15Å; L115-K120 WeakPolarHBondContact O-CE 3.25Å; L115-L151 HydrophobicContact CD1-CD1 3.61Å; L115-Y153 HydrophobicContact CD1-CE2 4.29Å
116K94.5Very high95.4Very high142 Ų14266.3 Ų66.362%0.61733%0.329SS*.  trans-71.9163.9170.4-62.6-179.6175.8-179.90110.7E118 E119 K120K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 VanDerWaalsContact CB-OE2 3.31Å; K116-E118 WeakPolarHBondContact CB-OE2 3.4Å; K116-E118 WeakPolarHBondContact CD-OE2 3.16Å; K116-E118 PolarHBondContact O-N 2.91Å; K116-E119 HydrophobicContact CB-CG 4.41Å; K116-E119 WeakPolarHBondContact CB-OE2 3.34Å; K116-E119 PolarHBondContact N-OE2 3.1Å; K116-E119 PolarHBondContact O-N 2.89Å; K116-K120 WeakPolarHBondContact O-CG 3.35Å; K116-K120 PolarHBondContact O-N 3.44Å
117Q93Very high95.4Very high107 Ų10765 Ų6550%0.532%0.323SS..Hα-helixtrans-65.3-40.1-176.9-172.96119.900111.3E119 K120 I121Q117-E119 PolarHBondContact O-N 2.95Å; Q117-K120 WeakPolarHBondContact O-CB 3.12Å; Q117-K120 PolarHBondContact O-N 3.05Å; Q117-I121 HydrophobicContact CG-CD1 4.41Å; Q117-I121 PolarHBondContact O-N 3.04Å
118E96Very high95.4Very high127 Ų12764.4 Ų64.459%0.59332%0.317SS*.Hα-helixtrans-58.8-31.8176.6-4678.5-110.200113.1K116 P122K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 VanDerWaalsContact CB-OE2 3.31Å; K116-E118 WeakPolarHBondContact CB-OE2 3.4Å; K116-E118 WeakPolarHBondContact CD-OE2 3.16Å; K116-E118 PolarHBondContact O-N 2.91Å; E118-P122 WeakPolarHBondContact O-CD 3.25Å
119E94.9Very high95.3Very high82 Ų8270.4 Ų70.438%0.38335%0.35SS..Hα-helixtrans-77.2-22.9176.9-65.6174.690.100112.7K116 Q117K116-E119 HydrophobicContact CB-CG 4.41Å; K116-E119 WeakPolarHBondContact CB-OE2 3.34Å; K116-E119 PolarHBondContact N-OE2 3.1Å; K116-E119 PolarHBondContact O-N 2.89Å; Q117-E119 PolarHBondContact O-N 2.95Å
120K96.6Very high95.5Very high45 Ų4569.5 Ų69.520%0.19634%0.344CS..Hα-helixtrans-83.3-37.7-176.1-66.2177.7-173.3-177.50112.6L108 L115 K116 Q117 I123 I124L108-K120 HydrophobicContact CB-CD 4.41Å; L108-K120 HydrophobicContact CD1-CB 4.08Å; L108-K120 HydrophobicContact CD1-CG 4.25Å; L108-K120 HydrophobicContact CD2-CD 4.12Å; L108-K120 HydrophobicContact CD2-CG 3.84Å; L108-K120 HydrophobicContact CG-CG 4.42Å; L115-K120 HydrophobicContact CB-CG 4.15Å; L115-K120 WeakPolarHBondContact O-CE 3.25Å; K116-K120 WeakPolarHBondContact O-CG 3.35Å; K116-K120 PolarHBondContact O-N 3.44Å; Q117-K120 WeakPolarHBondContact O-CB 3.12Å; Q117-K120 PolarHBondContact O-N 3.05Å; K120-I123 PolarHBondContact O-N 3.44Å; K120-I124 HydrophobicContact CB-CD1 4.43Å; K120-I124 WeakPolarHBondContact O-CG1 3.48Å; K120-I124 PolarHBondContact O-N 2.86Å
121I96.5Very high95.6Very high73 Ų7368.7 Ų68.737%0.37434%0.337SS..Hα-helixtrans-57.6-50-172.8-67.8167.9000111.6Q117 I123 I124 E125Q117-I121 HydrophobicContact CG-CD1 4.41Å; Q117-I121 PolarHBondContact O-N 3.04Å; I121-I123 VanDerWaalsContact C-N 3.27Å; I121-I123 PolarHBondContact O-N 3.33Å; I121-I124 WeakPolarHBondContact O-CB 3.5Å; I121-I124 PolarHBondContact O-N 2.85Å; I121-E125 HydrophobicContact CG2-CG 4.2Å; I121-E125 VanDerWaalsContact CG2-OE1 3.31Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.43Å; I121-E125 WeakPolarHBondContact O-CG 3.2Å; I121-E125 PolarHBondContact O-N 3.38Å
122P97.5Very high95.7Very high67 Ų6775.7 Ų75.744%0.43537%0.365SS..Hα-helixtrans-61.1-35.5-179.6-24.534.8000113.2E118 T126E118-P122 WeakPolarHBondContact O-CD 3.25Å; P122-T126 VanDerWaalsContact O-CB 3.32Å; P122-T126 WeakPolarHBondContact O-CB 3.46Å; P122-T126 PolarHBondContact O-N 2.75Å; P122-T126 PolarHBondContact O-OG1 3.15Å
123I97.6Very high95.9Very high30 Ų3079.3 Ų79.315%0.15438%0.376CS..Hα-helixtrans-66-42.5177.3-59.9173.3000110.2L79 L108 K120 I121 I127 L151L79-I123 HydrophobicContact CD1-CG2 4.28Å; L108-I123 HydrophobicContact CD1-CB 3.89Å; L108-I123 HydrophobicContact CD1-CD1 4.27Å; L108-I123 HydrophobicContact CD1-CG2 3.78Å; K120-I123 PolarHBondContact O-N 3.44Å; I121-I123 VanDerWaalsContact C-N 3.27Å; I121-I123 PolarHBondContact O-N 3.33Å; I123-I127 HydrophobicContact CG2-CD1 3.85Å; I123-I127 WeakPolarHBondContact O-CD1 3.2Å; I123-I127 VanDerWaalsContact O-CG1 3.29Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 2.79Å; I123-L151 HydrophobicContact CD1-CD1 3.99Å
124I97.7Very high96.1Very high27 Ų2778.8 Ų78.814%0.13838%0.376CS..Hα-helixtrans-63.8-52.1178.5-68.1167.5000110.3I106 L108 K120 I121 T126 I127 L128 I149I106-I124 HydrophobicContact CB-CG2 4.02Å; I106-I124 HydrophobicContact CG1-CG2 4.23Å; I106-I124 HydrophobicContact CG2-CB 4.42Å; I106-I124 HydrophobicContact CG2-CD1 4.14Å; I106-I124 HydrophobicContact CG2-CG1 3.85Å; I106-I124 HydrophobicContact CG2-CG2 3.81Å; L108-I124 HydrophobicContact CB-CD1 4.11Å; L108-I124 HydrophobicContact CB-CG1 4.22Å; L108-I124 HydrophobicContact CD1-CG1 4.14Å; K120-I124 HydrophobicContact CB-CD1 4.43Å; K120-I124 WeakPolarHBondContact O-CG1 3.48Å; K120-I124 PolarHBondContact O-N 2.86Å; I121-I124 WeakPolarHBondContact O-CB 3.5Å; I121-I124 PolarHBondContact O-N 2.85Å; I124-T126 PolarHBondContact O-N 3.42Å; I124-I127 PolarHBondContact O-N 3.01Å; I124-L128 HydrophobicContact CG2-CD1 3.8Å; I124-L128 HydrophobicContact CG2-CG 4.29Å; I124-L128 WeakPolarHBondContact O-CG 3.38Å; I124-L128 PolarHBondContact O-N 3Å; I124-I149 HydrophobicContact CG1-CD1 3.89Å
125E97.3Very high96.4Very high106 Ų10672.8 Ų72.850%0.49535%0.353SS..Hα-helixtrans-57.7-49.3-179.1-70.2170.6165.400111I121 I127 L128 D129I121-E125 HydrophobicContact CG2-CG 4.2Å; I121-E125 VanDerWaalsContact CG2-OE1 3.31Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.43Å; I121-E125 WeakPolarHBondContact O-CG 3.2Å; I121-E125 PolarHBondContact O-N 3.38Å; E125-I127 VanDerWaalsContact C-N 3.26Å; E125-I127 PolarHBondContact O-N 3.5Å; E125-L128 PolarHBondContact O-N 3.2Å; E125-D129 VanDerWaalsContact O-CG 3.29Å; E125-D129 PolarHBondContact O-N 2.84Å
126T97.9Very high96.5Very high56 Ų5672.3 Ų72.334%0.34435%0.352SS..Hα-helixtrans-59.2-36.8179.7-51.90000112.6I83 P122 I124 A130I83-T126 HydrophobicContact CD1-CG2 3.38Å; I83-T126 HydrophobicContact CG1-CG2 4.1Å; P122-T126 VanDerWaalsContact O-CB 3.32Å; P122-T126 WeakPolarHBondContact O-CB 3.46Å; P122-T126 PolarHBondContact O-N 2.75Å; P122-T126 PolarHBondContact O-OG1 3.15Å; I124-T126 PolarHBondContact O-N 3.42Å; T126-A130 PolarHBondContact O-N 3.29Å
127I98.1Very high96.6Very high1 Ų172.3 Ų72.31%0.00535%0.354CS..Hα-helixtrans-74.2-36.9177.3-70.8165.8000111.3L79 L82 V86 I123 I124 E125 A130 H131 I149 Y174L79-I127 HydrophobicContact CD1-CD1 3.98Å; L79-I127 HydrophobicContact CD1-CG1 3.89Å; L82-I127 HydrophobicContact CD2-CD1 3.48Å; L82-I127 VanDerWaalsContact CD2-CD1 3.48Å; L82-I127 HydrophobicContact CD2-CG1 3.92Å; V86-I127 HydrophobicContact CG2-CG2 4.33Å; I123-I127 HydrophobicContact CG2-CD1 3.85Å; I123-I127 WeakPolarHBondContact O-CD1 3.2Å; I123-I127 VanDerWaalsContact O-CG1 3.29Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 2.79Å; I124-I127 PolarHBondContact O-N 3.01Å; E125-I127 VanDerWaalsContact C-N 3.26Å; E125-I127 PolarHBondContact O-N 3.5Å; I127-A130 WeakPolarHBondContact O-CB 3.43Å; I127-A130 PolarHBondContact O-N 3.28Å; I127-H131 PolarHBondContact O-CD2 2.65Å; I127-I149 HydrophobicContact CD1-CD1 3.68Å; I127-I149 HydrophobicContact CD1-CG1 3.99Å; I127-I149 HydrophobicContact CD1-CG2 4.05Å; I127-Y174 HydrophobicContact CG2-CD2 4.22Å; I127-Y174 HydrophobicContact CG2-CE1 4.3Å; I127-Y174 HydrophobicContact CG2-CE2 3.91Å
128L97.2Very high96.8Very high37 Ų3771.1 Ų71.119%0.19435%0.354CS..Hα-helixtrans-66.4-43.3176.6-69.2174.3000111.2F104 I106 I124 E125 A130 H131 I134F104-L128 HydrophobicContact CE2-CD2 4.18Å; F104-L128 HydrophobicContact CZ-CD2 4.47Å; I106-L128 HydrophobicContact CD1-CD2 3.86Å; I106-L128 HydrophobicContact CG1-CD1 4.34Å; I106-L128 HydrophobicContact CG1-CD2 3.99Å; I124-L128 HydrophobicContact CG2-CD1 3.8Å; I124-L128 HydrophobicContact CG2-CG 4.29Å; I124-L128 WeakPolarHBondContact O-CG 3.38Å; I124-L128 PolarHBondContact O-N 3Å; E125-L128 PolarHBondContact O-N 3.2Å; L128-A130 PolarHBondContact O-N 3.02Å; L128-H131 WeakPolarHBondContact O-CB 3.27Å; L128-H131 PolarHBondContact O-N 3.18Å; L128-H131 VanDerWaalsContact O-N 3.09Å; L128-I134 HydrophobicContact CB-CD1 3.97Å; L128-I134 HydrophobicContact CD2-CD1 3.57Å; L128-I134 HydrophobicContact CG-CD1 4.37Å; L128-I134 WeakPolarHBondContact O-CD1 3.35Å
129D97.5Very high96.9Very high137 Ų13766.1 Ų66.173%0.73333%0.333SS*.Hα-helixtrans-63.8-21.2178.5-68.4-17.5000113.1E125 H131E125-D129 VanDerWaalsContact O-CG 3.29Å; E125-D129 PolarHBondContact O-N 2.84Å; D129-H131 VanDerWaalsContact C-N 3.31Å
130A97.8Very high96.9Very high16 Ų1668.8 Ų68.813%0.13235%0.349CS..THydrogen-bonded Turntrans-74.6-18.3176.700000113.4I83 V86 A87 T126 I127 L128I83-A130 HydrophobicContact CB-CB 4.35Å; I83-A130 HydrophobicContact CG1-CB 4.49Å; I83-A130 HydrophobicContact CG2-CB 3.81Å; V86-A130 HydrophobicContact CB-CB 4Å; V86-A130 HydrophobicContact CG1-CB 3.71Å; A87-A130 VanDerWaalsContact CA-O 3.25Å; A87-A130 WeakPolarHBondContact CA-O 3.41Å; T126-A130 PolarHBondContact O-N 3.29Å; I127-A130 WeakPolarHBondContact O-CB 3.43Å; I127-A130 PolarHBondContact O-N 3.28Å; L128-A130 PolarHBondContact O-N 3.02Å
131H97.9Very high96.8Very high18 Ų1871.8 Ų71.88%0.08338%0.376CS..SBendtrans-73.5144.1176.9-77.9-92.2000111.2V86 L98 I127 L128 D129 R133 I134 Y174V86-H131 WeakPolarHBondContact CG1-CD2 3.38Å; V86-H131 WeakPolarHBondContact CG1-NE2 3.2Å; L98-H131 WeakPolarHBondContact CD1-CE1 3.47Å; I127-H131 PolarHBondContact O-CD2 2.65Å; L128-H131 WeakPolarHBondContact O-CB 3.27Å; L128-H131 PolarHBondContact O-N 3.18Å; L128-H131 VanDerWaalsContact O-N 3.09Å; D129-H131 VanDerWaalsContact C-N 3.31Å; H131-R133 PolarHBondContact O-N 2.67Å; H131-I134 HydrophobicContact CB-CD1 3.79Å; H131-I134 HydrophobicContact CB-CG1 3.7Å; H131-Y174 AromaticContact CE1-CE1 3.92Å; H131-Y174 AromaticContact NE2-CE1 3.48Å; H131-Y174 WeakPolarHBondContact NE2-CE1 3.45Å; H131-Y174 AromaticContact NE2-CZ 3.59Å; H131-Y174 PolarHBondContact NE2-OH 3.14Å
132K95.6Very high96.8Very high155 Ų15572.4 Ų72.467%0.67439%0.387SS*.SBendtrans-62.6-32.3176-63.6176.1-173.9165.30112.8A87A87-K132 WeakPolarHBondContact O-CE 3.4Å
133R95Very high96.8Very high150 Ų15070.6 Ų70.657%0.56638%0.375SS*.  trans-157.6131.2-176.3-174.3-171.3175.1174.7-0.8109.8N99 H131 D135N99-R133 PolarHBondContact ND2-O 3.41Å; N99-R133 VanDerWaalsContact ND2-O 3.15Å; N99-R133 WeakPolarHBondContact OD1-CG 3.47Å; N99-R133 PolarHBondContact OD1-O 3.4Å; H131-R133 PolarHBondContact O-N 2.67Å; R133-D135 IonicContact CZ-OD2 3.44Å; R133-D135 IonicContact NE-OD2 2.79Å; R133-D135 PolarHBondContact NE-OD2 3.44Å; R133-D135 IonicContact NH2-OD2 3.32Å; R133-D135 PolarHBondContact NH2-OD2 3.37Å
134I96.3Very high96.8Very high56 Ų5673.9 Ų73.929%0.28739%0.393SS..  trans-138.3114.2166.3-60.7-178.9000106.1N99 F104 L128 H131N99-I134 WeakPolarHBondContact OD1-CA 3.39Å; N99-I134 PolarHBondContact OD1-N 2.62Å; F104-I134 HydrophobicContact CE1-CG2 3.88Å; F104-I134 HydrophobicContact CZ-CG2 3.78Å; L128-I134 HydrophobicContact CB-CD1 3.97Å; L128-I134 HydrophobicContact CD2-CD1 3.57Å; L128-I134 HydrophobicContact CG-CD1 4.37Å; L128-I134 WeakPolarHBondContact O-CD1 3.35Å; H131-I134 HydrophobicContact CB-CD1 3.79Å; H131-I134 HydrophobicContact CB-CG1 3.7Å
135D95.5Very high96.8Very high77 Ų7774.2 Ų74.241%0.41239%0.394SS..  trans-127.7-5.3176.36512.4000114.6L98 N99 G100 R133L98-D135 PolarHBondContact O-N 2.81Å; N99-D135 WeakPolarHBondContact CA-OD1 3.35Å; N99-D135 VanDerWaalsContact CB-OD1 3.27Å; N99-D135 WeakPolarHBondContact CB-OD1 3.03Å; N99-D135 PolarHBondContact OD1-N 2.89Å; N99-D135 PolarHBondContact OD1-OD1 3.45Å; G100-D135 PolarHBondContact N-OD1 2.86Å; R133-D135 IonicContact CZ-OD2 3.44Å; R133-D135 IonicContact NE-OD2 2.79Å; R133-D135 PolarHBondContact NE-OD2 3.44Å; R133-D135 IonicContact NH2-OD2 3.32Å; R133-D135 PolarHBondContact NH2-OD2 3.37Å
136A96.9Very high96.9Very high9 Ų971.2 Ų71.27%0.07438%0.38CS..SBendtrans-63.1149.8170.700000111.3L98 D102 F104L98-A136 VanDerWaalsContact C-CB 3.42Å; L98-A136 WeakPolarHBondContact O-CB 3.36Å; L98-A136 PolarHBondContact O-N 2.99Å; D102-A136 WeakPolarHBondContact O-CB 3.27Å; F104-A136 HydrophobicContact CD1-CB 3.68Å; F104-A136 HydrophobicContact CE1-CB 4.03Å; F104-A136 WeakPolarHBondContact CE1-O 3.46Å
137Q96.6Very high96.9Very high142 Ų14268.5 Ų68.566%0.66436%0.363SS*.EExtended strand (participates in β ladder)trans-80.6138.5-179.8-175.1-179.61.200111.4T103 F104T103-Q137 CarbonylContact C-O 3.55Å; T103-Q137 WeakPolarHBondContact CA-O 3.45Å; T103-Q137 WeakPolarHBondContact CB-O 3.5Å; T103-Q137 HydrophobicContact CG2-CB 4.29Å; F104-Q137 PolarHBondContact N-O 2.82Å
138V97.1Very high96.9Very high83 Ų8368.8 Ų68.850%0.50337%0.365SS..EExtended strand (participates in β ladder)trans-76.3126.6172.4179.10000110.7F104 L140F104-V138 HydrophobicContact CE1-CG2 3.88Å; F104-V138 HydrophobicContact CE2-CG2 4.33Å; F104-V138 HydrophobicContact CZ-CG2 3.74Å; F104-V138 CarbonylContact O-C 3.47Å; F104-V138 WeakPolarHBondContact O-CA 3.1Å; V138-L140 HydrophobicContact CG1-CD2 4.14Å
139S97.7Very high97Very high21 Ų2167 Ų6715%0.14736%0.356CS..  trans-129113.2174174.60000110.8F104 K105 S142 P143F104-S139 PolarHBondContact O-N 3.32Å; K105-S139 WeakPolarHBondContact CB-O 3.44Å; S139-S142 PolarHBondContact OG-N 3.49Å; S139-S142 PolarHBondContact OG-O 2.87Å; S139-P143 WeakPolarHBondContact O-CB 3.22Å
140L94.8Very high97Very high138 Ų13860.7 Ų60.772%0.72332%0.322SS*.SBendtrans-81.9-33.4-176.2-61.9-179.2000113.5V138V138-L140 HydrophobicContact CG1-CD2 4.14Å
141S95.2Very high97Very high109 Ų10960 Ų6076%0.76232%0.315SS*.SBendtrans-83-44.2-174.549.20000112.7
142S95.7Very high96.9Very high85 Ų8559.7 Ų59.759%0.59431%0.314SS*.SBendtrans-146.670.1-170.449.50000109.5S139S139-S142 PolarHBondContact OG-N 3.49Å; S139-S142 PolarHBondContact OG-O 2.87Å
143P97.6Very high96.8Very high29 Ų2953 Ų5319%0.18829%0.285CS..  trans-76.4153.2173.534.6-38.7000111.3T103 K105 S139 H145T103-P143 WeakPolarHBondContact OG1-CA 3.4Å; K105-P143 HydrophobicContact CB-CB 4.17Å; K105-P143 HydrophobicContact CB-CG 4.19Å; K105-P143 HydrophobicContact CD-CB 4.48Å; K105-P143 HydrophobicContact CD-CG 3.6Å; K105-P143 HydrophobicContact CG-CB 4.16Å; K105-P143 HydrophobicContact CG-CG 3.73Å; S139-P143 WeakPolarHBondContact O-CB 3.22Å; P143-H145 WeakPolarHBondContact CB-O 3.42Å
144D98Very high96.6Very high99 Ų9947.3 Ų47.353%0.52927%0.267SS..SBendtrans-74.4-40.8166.4-55.7-68.8000110.2D102 T103D102-D144 HydrophobicContact CB-CB 4.09Å; T103-D144 WeakPolarHBondContact CB-OD2 3.39Å; T103-D144 PolarHBondContact N-OD2 3.12Å; T103-D144 WeakPolarHBondContact O-CA 3.42Å; T103-D144 WeakPolarHBondContact O-CB 3.36Å; T103-D144 PolarHBondContact O-N 2.94Å; T103-D144 PolarHBondContact OG1-N 2.99Å; T103-D144 VanDerWaalsContact OG1-N 3.12Å; T103-D144 PolarHBondContact OG1-OD2 2.67Å
145H97.8Very high96.1Very high34 Ų3447 Ų4716%0.15727%0.268CS..EExtended strand (participates in β ladder)trans-121.5141.4-177.7-55.9-60.2000113.1P96 Y97 D102 T103 F104 K105 P143P96-H145 PolarHBondContact O-NE2 2.76Å; Y97-H145 AromaticContact CD1-CE1 3.79Å; Y97-H145 AromaticContact CD1-CG 3.84Å; Y97-H145 AromaticContact CD1-ND1 3.52Å; D102-H145 IonicContact OD2-CD2 3.86Å; D102-H145 IonicContact OD2-CE1 2.63Å; D102-H145 IonicContact OD2-NE2 3.12Å; D102-H145 PolarHBondContact OD2-NE2 3.42Å; T103-H145 PolarHBondContact O-N 2.76Å; F104-H145 CarbonylContact C-O 3.38Å; F104-H145 WeakPolarHBondContact CA-O 3.5Å; F104-H145 HydrophobicContact CB-CB 4.2Å; K105-H145 PolarHBondContact N-O 3.09Å; P143-H145 WeakPolarHBondContact CB-O 3.42Å
146Q98Very high95.4Very high43 Ų4350.2 Ų50.220%0.20128%0.278CS..EExtended strand (participates in β ladder)trans-117.8121172.4-173.6-175-65.200110.2K105 V107 N148 L177K105-Q146 HydrophobicContact CD-CG 4.41Å; K105-Q146 HydrophobicContact CG-CB 4.3Å; K105-Q146 HydrophobicContact CG-CG 3.91Å; V107-Q146 HydrophobicContact CB-CG 4.45Å; V107-Q146 HydrophobicContact CG2-CG 3.92Å; Q146-N148 WeakPolarHBondContact CG-OD1 3.41Å; Q146-N148 PolarHBondContact NE2-ND2 2.98Å; Q146-N148 PolarHBondContact NE2-OD1 2.98Å; Q146-L177 HydrophobicContact CB-CB 4.03Å; Q146-L177 HydrophobicContact CB-CD2 4.16Å; Q146-L177 HydrophobicContact CG-CB 4.43Å; Q146-L177 WeakPolarHBondContact O-CB 3.38Å; Q146-L177 PolarHBondContact O-N 3.48Å
147I98.5Very high94.2Very high0 Ų056.9 Ų56.90%031%0.313CS..EExtended strand (participates in β ladder)trans-105.7141.7173.4-50.4-49.2000108.8W73 L98 K105 I106 V107 Y174 R176W73-I147 HydrophobicContact CE3-CG2 4.36Å; W73-I147 HydrophobicContact CH2-CD1 3.34Å; W73-I147 HydrophobicContact CH2-CG1 4.04Å; W73-I147 HydrophobicContact CH2-CG2 4.24Å; W73-I147 HydrophobicContact CZ2-CD1 4.07Å; W73-I147 HydrophobicContact CZ3-CD1 3.95Å; W73-I147 HydrophobicContact CZ3-CG1 4.24Å; W73-I147 HydrophobicContact CZ3-CG2 3.66Å; L98-I147 HydrophobicContact CD2-CG1 3.85Å; L98-I147 HydrophobicContact CG-CG1 4.46Å; K105-I147 PolarHBondContact O-N 3.3Å; I106-I147 CarbonylContact C-O 3.43Å; I106-I147 WeakPolarHBondContact CA-O 3.08Å; I106-I147 HydrophobicContact CD1-CB 3.67Å; I106-I147 HydrophobicContact CD1-CG1 4.48Å; I106-I147 HydrophobicContact CD1-CG2 3.94Å; V107-I147 PolarHBondContact N-O 3.43Å; I147-Y174 HydrophobicContact CG2-CD2 4.08Å; I147-Y174 HydrophobicContact CG2-CE2 3.29Å; I147-R176 HydrophobicContact CD1-CB 3.74Å; I147-R176 HydrophobicContact CD1-CG 3.81Å
148N98.5Very high92.5Very high6 Ų655.6 Ų55.63%0.03231%0.31CS..EExtended strand (participates in β ladder)trans-125.2137-169.8-78.988.5000111.7F70 V107 Q146 L150 Y174 G175F70-N148 HydrophobicContact CD1-CB 3.61Å; F70-N148 HydrophobicContact CE1-CB 3.53Å; F70-N148 VanDerWaalsContact CE1-OD1 3.25Å; F70-N148 WeakPolarHBondContact CE1-OD1 3.42Å; F70-N148 HydrophobicContact CZ-CB 4.32Å; V107-N148 WeakPolarHBondContact CB-ND2 3.36Å; V107-N148 WeakPolarHBondContact O-CA 3.02Å; V107-N148 PolarHBondContact O-ND2 3.39Å; Q146-N148 WeakPolarHBondContact CG-OD1 3.41Å; Q146-N148 PolarHBondContact NE2-ND2 2.98Å; Q146-N148 PolarHBondContact NE2-OD1 2.98Å; N148-L150 HydrophobicContact CB-CD2 4.23Å; N148-Y174 WeakPolarHBondContact O-CA 3.21Å; N148-Y174 WeakPolarHBondContact O-CD2 3.44Å; N148-G175 PolarHBondContact N-O 3.11Å; N148-G175 PolarHBondContact O-N 3.12Å; N148-G175 VanDerWaalsContact O-N 3.08Å
149I98.6Very high90.4Very high1 Ų154.2 Ų54.21%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-111.1120.6167.8-58.1156.5000106.4I106 V107 L108 S109 I124 I127 L151 L173 Y174I106-I149 HydrophobicContact CG2-CD1 3.66Å; I106-I149 HydrophobicContact CG2-CG1 4.31Å; V107-I149 PolarHBondContact O-N 2.96Å; V107-I149 VanDerWaalsContact O-N 3.07Å; L108-I149 WeakPolarHBondContact CA-O 3.36Å; L108-I149 HydrophobicContact CB-CB 4.29Å; L108-I149 HydrophobicContact CD1-CG2 4.31Å; L108-I149 HydrophobicContact CG-CB 4.1Å; L108-I149 HydrophobicContact CG-CG2 4.16Å; S109-I149 PolarHBondContact N-O 3.47Å; I124-I149 HydrophobicContact CG1-CD1 3.89Å; I127-I149 HydrophobicContact CD1-CD1 3.68Å; I127-I149 HydrophobicContact CD1-CG1 3.99Å; I127-I149 HydrophobicContact CD1-CG2 4.05Å; I149-L151 HydrophobicContact CG2-CD2 3.89Å; I149-L151 HydrophobicContact CG2-CG 4.33Å; I149-L173 CarbonylContact C-O 3.56Å; I149-L173 WeakPolarHBondContact CA-O 3.44Å; I149-Y174 HydrophobicContact CG1-CD2 3.65Å; I149-Y174 HydrophobicContact CG1-CE2 4.01Å
150L98.2Very high88.1Confident4 Ų463.4 Ų63.42%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-112.2118.9179.9-43.5174.1000108.4V5 F45 F70 S109 N148 L172 L173V5-L150 HydrophobicContact CB-CD1 4.39Å; V5-L150 HydrophobicContact CG1-CD1 3.85Å; F45-L150 HydrophobicContact CD1-CB 4.33Å; F45-L150 HydrophobicContact CD1-CD1 3.86Å; F45-L150 HydrophobicContact CD2-CB 4.36Å; F45-L150 HydrophobicContact CE1-CB 3.98Å; F45-L150 HydrophobicContact CE1-CD1 4.01Å; F45-L150 HydrophobicContact CE1-CD2 4.25Å; F45-L150 HydrophobicContact CE1-CG 4.31Å; F45-L150 HydrophobicContact CE2-CB 4.01Å; F45-L150 HydrophobicContact CG-CD1 4.42Å; F45-L150 HydrophobicContact CZ-CB 3.82Å; F70-L150 HydrophobicContact CD2-CD1 3.67Å; F70-L150 HydrophobicContact CE2-CD1 3.73Å; F70-L150 HydrophobicContact CE2-CD2 3.96Å; F70-L150 HydrophobicContact CE2-CG 4.45Å; F70-L150 HydrophobicContact CG-CD1 4.4Å; F70-L150 HydrophobicContact CZ-CD2 4Å; S109-L150 WeakPolarHBondContact O-CA 3.2Å; S109-L150 WeakPolarHBondContact OG-CD2 3.4Å; N148-L150 HydrophobicContact CB-CD2 4.23Å; L150-L172 WeakPolarHBondContact O-CA 3.21Å; L150-L173 HydrophobicContact CB-CB 4.12Å; L150-L173 HydrophobicContact CD1-CB 4.26Å; L150-L173 HydrophobicContact CD1-CD1 4.38Å; L150-L173 HydrophobicContact CG-CB 4.44Å; L150-L173 PolarHBondContact N-O 2.92Å; L150-L173 PolarHBondContact O-N 3.32Å
151L97.7Very high85.9Confident0 Ų064.5 Ų64.50%036%0.356CS..EExtended strand (participates in β ladder)trans-105.9116.8179.4-56.7-177.6000109.8L108 S109 S110 A111 L115 I123 I149 Y153 L169 L172L108-L151 HydrophobicContact CD1-CD1 4.16Å; L108-L151 HydrophobicContact CD2-CD1 3.77Å; L108-L151 HydrophobicContact CD2-CG 4.21Å; L108-L151 HydrophobicContact CG-CD1 4.23Å; L108-L151 HydrophobicContact CG-CG 4.47Å; S109-L151 PolarHBondContact O-N 3.24Å; S110-L151 CarbonylContact C-O 3.57Å; S110-L151 VanDerWaalsContact CA-O 3.23Å; S110-L151 WeakPolarHBondContact CA-O 3.32Å; A111-L151 PolarHBondContact N-O 2.93Å; L115-L151 HydrophobicContact CD1-CD1 3.61Å; I123-L151 HydrophobicContact CD1-CD1 3.99Å; I149-L151 HydrophobicContact CG2-CD2 3.89Å; I149-L151 HydrophobicContact CG2-CG 4.33Å; L151-Y153 HydrophobicContact CB-CD2 4.32Å; L151-Y153 HydrophobicContact CB-CE2 3.7Å; L151-Y153 HydrophobicContact CD1-CE2 4.31Å; L151-L169 HydrophobicContact CB-CD1 3.86Å; L151-L169 HydrophobicContact CD2-CD1 4.14Å; L151-L169 HydrophobicContact CG-CD1 4.45Å; L151-L172 HydrophobicContact CD2-CB 4.14Å; L151-L172 HydrophobicContact CD2-CD2 3.6Å; L151-L172 HydrophobicContact CD2-CG 3.62Å
152E95.7Very high83.8Confident12 Ų1263 Ų636%0.05634%0.343CS..EExtended strand (participates in β ladder)trans-95.6120.5173.2-160.2178.8165.600109.5R43 P44 F45 L169 C170 R171R43-E152 IonicContact CZ-OE1 3.43Å; R43-E152 IonicContact CZ-OE2 3.4Å; R43-E152 IonicContact NE-OE1 3.71Å; R43-E152 PolarHBondContact NE-OE1 3.12Å; R43-E152 IonicContact NE-OE2 3.55Å; R43-E152 PolarHBondContact NE-OE2 3.18Å; R43-E152 VanDerWaalsContact NH2-CD 3.3Å; R43-E152 IonicContact NH2-OE1 3.64Å; R43-E152 PolarHBondContact NH2-OE1 3.5Å; R43-E152 IonicContact NH2-OE2 2.8Å; R43-E152 PolarHBondContact NH2-OE2 3.15Å; P44-E152 HydrophobicContact CG-CG 3.86Å; F45-E152 HydrophobicContact CD2-CB 3.98Å; F45-E152 HydrophobicContact CD2-CG 4.2Å; F45-E152 HydrophobicContact CE2-CB 4.17Å; E152-L169 WeakPolarHBondContact O-CD1 3.3Å; E152-C170 PolarHBondContact O-N 2.89Å; E152-C170 PolarHBondContact O-SG 3.18Å; E152-R171 HydrophobicContact CB-CB 3.78Å; E152-R171 PolarHBondContact N-O 3.29Å; E152-R171 PolarHBondContact O-N 2.85Å; E152-R171 WeakPolarHBondContact OE2-CD 3.47Å
153Y94.1Very high81.6Confident16 Ų1665.5 Ų65.56%0.06335%0.354CS..EExtended strand (participates in β ladder)trans-106148.6170.8-67.4-97.1000109.6A111 H112 K113 L115 L151 G167 H168 L169A111-Y153 PolarHBondContact O-N 3.09Å; H112-Y153 WeakPolarHBondContact CB-O 3.37Å; H112-Y153 PolarHBondContact CD2-O 2.93Å; K113-Y153 HydrophobicContact CB-CD1 4.07Å; K113-Y153 HydrophobicContact CB-CD2 3.56Å; K113-Y153 HydrophobicContact CB-CE1 4.47Å; K113-Y153 HydrophobicContact CB-CE2 4.01Å; K113-Y153 HydrophobicContact CB-CG 3.59Å; K113-Y153 HydrophobicContact CD-CD1 3.59Å; K113-Y153 HydrophobicContact CD-CD2 4.22Å; K113-Y153 HydrophobicContact CD-CE1 3.37Å; K113-Y153 HydrophobicContact CD-CE2 4.03Å; K113-Y153 HydrophobicContact CD-CG 4.02Å; K113-Y153 HydrophobicContact CG-CD1 4.48Å; K113-Y153 HydrophobicContact CG-CG 4.46Å; L115-Y153 HydrophobicContact CD1-CE2 4.29Å; L151-Y153 HydrophobicContact CB-CD2 4.32Å; L151-Y153 HydrophobicContact CB-CE2 3.7Å; L151-Y153 HydrophobicContact CD1-CE2 4.31Å; Y153-G167 WeakPolarHBondContact CD1-O 3.36Å; Y153-H168 CarbonylContact C-O 3.53Å; Y153-H168 VanDerWaalsContact CA-O 3.27Å; Y153-H168 WeakPolarHBondContact CA-O 3.07Å; Y153-L169 HydrophobicContact CD1-CB 4.07Å; Y153-L169 HydrophobicContact CD1-CD1 4.41Å; Y153-L169 HydrophobicContact CD2-CD1 4.28Å; Y153-L169 HydrophobicContact CE1-CB 3.75Å; Y153-L169 HydrophobicContact CE1-CD1 4.05Å; Y153-L169 HydrophobicContact CE1-CG 4.48Å; Y153-L169 HydrophobicContact CE2-CD1 3.9Å
154T90.8Very high79.5Confident29 Ų2969.6 Ų69.618%0.17838%0.384CS..  trans-63.9141.5170.749.80000111K156 G167 H168 C170T154-K156 PolarHBondContact O-N 2.89Å; T154-G167 VanDerWaalsContact O-CA 3.25Å; T154-G167 WeakPolarHBondContact O-CA 3.38Å; T154-G167 PolarHBondContact O-N 2.79Å; T154-G167 PolarHBondContact OG1-N 3.37Å; T154-H168 VanDerWaalsContact CG2-CE1 3.44Å; T154-H168 WeakPolarHBondContact CG2-CE1 3.43Å; T154-H168 WeakPolarHBondContact CG2-NE2 3.46Å; T154-H168 PolarHBondContact N-O 2.99Å; T154-H168 PolarHBondContact OG1-CE1 3.33Å; T154-H168 PolarHBondContact OG1-N 3Å; T154-H168 PolarHBondContact OG1-ND1 3.01Å; T154-H168 PolarHBondContact OG1-NE2 2.95Å; T154-H168 PolarHBondContact OG1-O 3.23Å; T154-C170 HydrophobicContact CG2-CB 3.95Å
155P85.4Confident77.7Confident49 Ų4969.6 Ų69.632%0.31839%0.391SS..  trans-60.3136.3176.3-21.431.6000111.6N157 L158P155-N157 VanDerWaalsContact C-N 3.32Å; P155-N157 PolarHBondContact O-N 3.19Å; P155-L158 HydrophobicContact CB-CD1 3.95Å; P155-L158 HydrophobicContact CG-CD1 3.98Å
156K80.5Confident76.6Confident145 Ų14569.6 Ų69.663%0.6340%0.401SS*.SBendtrans-67.2-30.3178.8-69.4-174.9177.1-173.50113.9T154T154-K156 PolarHBondContact O-N 2.89Å
157N71.8Confident76Confident149 Ų14968.4 Ų68.480%0.79740%0.4SS*.  trans-113.475.3-174.3-63.5-20.6000110.1P155 G159P155-N157 VanDerWaalsContact C-N 3.32Å; P155-N157 PolarHBondContact O-N 3.19Å; N157-G159 PolarHBondContact O-N 3.4Å
158L60.8Low75.7Confident116 Ų11673.4 Ų73.461%0.60742%0.423SS*.SBendtrans-81.854.8172.5-129.583.5000110.7P155 T162P155-L158 HydrophobicContact CB-CD1 3.95Å; P155-L158 HydrophobicContact CG-CD1 3.98Å; L158-T162 HydrophobicContact CB-CG2 4.48Å; L158-T162 VanDerWaalsContact O-CG2 3.31Å; L158-T162 WeakPolarHBondContact O-CG2 3.42Å; L158-T162 PolarHBondContact O-OG1 2.91Å
159G54Low75.5Confident54 Ų5475.8 Ų75.856%0.55744%0.435SS*.  trans82.2160.8-177.500000114.6N157 N161 T162N157-G159 PolarHBondContact O-N 3.4Å; G159-N161 PolarHBondContact O-N 2.76Å; G159-T162 PolarHBondContact O-OG1 3.42Å
160K48.7Very low75.3Confident214 Ų21477.6 Ų77.693%0.9345%0.448SS*.THydrogen-bonded Turntrans-67.2-13-173.3-73.8-175.6175.7-1750114.7
161N48Very low75.3Confident160 Ų16079 Ų7986%0.85645%0.452SS*.THydrogen-bonded Turntrans-114.62.4-171.2-73.52.6000114.6G159G159-N161 PolarHBondContact O-N 2.76Å
162T50.8Low75.3Confident78 Ų7879 Ų7948%0.47945%0.453SS..SBendtrans-89113.5170.653.70000109.4L158 G159 S164L158-T162 HydrophobicContact CB-CG2 4.48Å; L158-T162 VanDerWaalsContact O-CG2 3.31Å; L158-T162 WeakPolarHBondContact O-CG2 3.42Å; L158-T162 PolarHBondContact O-OG1 2.91Å; G159-T162 PolarHBondContact O-OG1 3.42Å; T162-S164 PolarHBondContact O-N 2.75Å
163V50.6Low75.4Confident137 Ų13778.6 Ų78.683%0.8345%0.451SS*.  trans-51.3121.7169.3-179.80000108.7S165V163-S165 PolarHBondContact O-N 3.31Å
164S52.3Low75.7Confident116 Ų11677.9 Ų77.981%0.81145%0.448SS*.SBendtrans-27.6108.8-178.1-48.50000116.3T162T162-S164 PolarHBondContact O-N 2.75Å
165S60.8Low76Confident98 Ų9876.7 Ų76.769%0.68544%0.441SS*.  trans-154.816.3167.2-60.40000114.8V163 H168V163-S165 PolarHBondContact O-N 3.31Å; S165-H168 PolarHBondContact O-ND1 3.11Å; S165-H168 VanDerWaalsContact O-ND1 3.08Å
166G74.8Confident76.6Confident35 Ų3575.8 Ų75.836%0.36143%0.432SS..  trans-84.1169.8177.500000113.7
167G85.6Confident77.5Confident17 Ų1771.1 Ų71.118%0.17541%0.413CS..  trans89.610.2174.900000115.3Y153 T154Y153-G167 WeakPolarHBondContact CD1-O 3.36Å; T154-G167 VanDerWaalsContact O-CA 3.25Å; T154-G167 WeakPolarHBondContact O-CA 3.38Å; T154-G167 PolarHBondContact O-N 2.79Å; T154-G167 PolarHBondContact OG1-N 3.37Å
168H92.1Very high78.7Confident105 Ų10565 Ų6549%0.48638%0.38SS..  trans-82.5148.517059.4-95.5000110.4Y153 T154 S165 C170Y153-H168 CarbonylContact C-O 3.53Å; Y153-H168 VanDerWaalsContact CA-O 3.27Å; Y153-H168 WeakPolarHBondContact CA-O 3.07Å; T154-H168 VanDerWaalsContact CG2-CE1 3.44Å; T154-H168 WeakPolarHBondContact CG2-CE1 3.43Å; T154-H168 WeakPolarHBondContact CG2-NE2 3.46Å; T154-H168 PolarHBondContact N-O 2.99Å; T154-H168 PolarHBondContact OG1-CE1 3.33Å; T154-H168 PolarHBondContact OG1-N 3Å; T154-H168 PolarHBondContact OG1-ND1 3.01Å; T154-H168 PolarHBondContact OG1-NE2 2.95Å; T154-H168 PolarHBondContact OG1-O 3.23Å; S165-H168 PolarHBondContact O-ND1 3.11Å; S165-H168 VanDerWaalsContact O-ND1 3.08Å; H168-C170 PolarHBondContact O-N 3.18Å
169L94.9Very high80.3Confident57 Ų5760.1 Ų60.130%0.29836%0.358SS..EExtended strand (participates in β ladder)trans-66.7125.3173.4-17666000107.9L151 E152 Y153 L172L151-L169 HydrophobicContact CB-CD1 3.86Å; L151-L169 HydrophobicContact CD2-CD1 4.14Å; L151-L169 HydrophobicContact CG-CD1 4.45Å; E152-L169 WeakPolarHBondContact O-CD1 3.3Å; Y153-L169 HydrophobicContact CD1-CB 4.07Å; Y153-L169 HydrophobicContact CD1-CD1 4.41Å; Y153-L169 HydrophobicContact CD2-CD1 4.28Å; Y153-L169 HydrophobicContact CE1-CB 3.75Å; Y153-L169 HydrophobicContact CE1-CD1 4.05Å; Y153-L169 HydrophobicContact CE1-CG 4.48Å; Y153-L169 HydrophobicContact CE2-CD1 3.9Å; L169-L172 HydrophobicContact CD1-CD1 4.39Å; L169-L172 HydrophobicContact CD1-CG 4.3Å; L169-L172 HydrophobicContact CD2-CD1 3.58Å; L169-L172 HydrophobicContact CD2-CD2 4.06Å; L169-L172 HydrophobicContact CD2-CG 3.9Å; L169-L172 HydrophobicContact CG-CD1 3.92Å; L169-L172 HydrophobicContact CG-CG 4.32Å
170C94.5Very high82.1Confident39 Ų3960.1 Ų60.126%0.26436%0.358SS..EExtended strand (participates in β ladder)trans-119.8-15-178.760.60000113.5E152 T154 H168E152-C170 PolarHBondContact O-N 2.89Å; E152-C170 PolarHBondContact O-SG 3.18Å; T154-C170 HydrophobicContact CG2-CB 3.95Å; H168-C170 PolarHBondContact O-N 3.18Å
171R97.1Very high84Confident32 Ų3250.8 Ų50.812%0.12132%0.319CS..EExtended strand (participates in β ladder)trans-156.8143175.2-156.2179.4-172.7176.17.1111.7D75 A76 E152 L173D75-R171 WeakPolarHBondContact OD1-CG 3.45Å; D75-R171 IonicContact OD1-CZ 3.74Å; D75-R171 IonicContact OD1-NE 3.77Å; D75-R171 PolarHBondContact OD1-NE 2.89Å; D75-R171 IonicContact OD1-NH2 3.63Å; D75-R171 IonicContact OD2-CZ 2.62Å; D75-R171 IonicContact OD2-NE 2.81Å; D75-R171 PolarHBondContact OD2-NE 2.86Å; D75-R171 IonicContact OD2-NH2 2.66Å; D75-R171 PolarHBondContact OD2-NH2 2.84Å; A76-R171 CarbonylContact O-C 3.56Å; A76-R171 WeakPolarHBondContact O-CA 3.34Å; E152-R171 HydrophobicContact CB-CB 3.78Å; E152-R171 PolarHBondContact N-O 3.29Å; E152-R171 PolarHBondContact O-N 2.85Å; E152-R171 WeakPolarHBondContact OE2-CD 3.47Å; R171-L173 HydrophobicContact CG-CD2 4.46Å; R171-L173 HydrophobicContact CG-CG 4.33Å
172L98.3Very high85.8Confident2 Ų245.7 Ų45.71%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-123.2128168.6-57.186.1000108.2A76 A77 T78 L79 L82 L150 L151 L169A76-L172 PolarHBondContact N-O 3.08Å; A76-L172 PolarHBondContact O-N 3.46Å; A77-L172 WeakPolarHBondContact O-CD1 3.31Å; T78-L172 VanDerWaalsContact C-CD1 3.47Å; L79-L172 HydrophobicContact CB-CD2 4.18Å; L79-L172 HydrophobicContact CD1-CD2 4.06Å; L82-L172 HydrophobicContact CD1-CB 4.23Å; L82-L172 HydrophobicContact CD2-CB 4.05Å; L82-L172 HydrophobicContact CD2-CD2 4.04Å; L150-L172 WeakPolarHBondContact O-CA 3.21Å; L151-L172 HydrophobicContact CD2-CB 4.14Å; L151-L172 HydrophobicContact CD2-CD2 3.6Å; L151-L172 HydrophobicContact CD2-CG 3.62Å; L169-L172 HydrophobicContact CD1-CD1 4.39Å; L169-L172 HydrophobicContact CD1-CG 4.3Å; L169-L172 HydrophobicContact CD2-CD1 3.58Å; L169-L172 HydrophobicContact CD2-CD2 4.06Å; L169-L172 HydrophobicContact CD2-CG 3.9Å; L169-L172 HydrophobicContact CG-CD1 3.92Å; L169-L172 HydrophobicContact CG-CG 4.32Å
173L98.6Very high87.6Confident2 Ų244.6 Ų44.61%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-119.1135.6174.9-58.9159.6000108.4V5 F45 V47 L72 C74 D75 I149 L150 R171V5-L173 HydrophobicContact CG1-CD1 3.84Å; V5-L173 HydrophobicContact CG2-CB 4.45Å; V5-L173 HydrophobicContact CG2-CD1 4.11Å; V5-L173 HydrophobicContact CG2-CD2 4.3Å; F45-L173 HydrophobicContact CB-CD1 3.55Å; F45-L173 HydrophobicContact CD2-CD1 4.28Å; F45-L173 HydrophobicContact CG-CD1 4.02Å; V47-L173 HydrophobicContact CG2-CD2 4.29Å; L72-L173 HydrophobicContact CD1-CB 4.16Å; L72-L173 HydrophobicContact CD1-CD2 3.74Å; L72-L173 HydrophobicContact CD2-CD2 4.4Å; C74-L173 WeakPolarHBondContact O-CA 3.45Å; D75-L173 HydrophobicContact CB-CD2 3.79Å; D75-L173 VanDerWaalsContact CG-CD2 3.45Å; D75-L173 WeakPolarHBondContact OD1-CD2 3.35Å; I149-L173 CarbonylContact C-O 3.56Å; I149-L173 WeakPolarHBondContact CA-O 3.44Å; L150-L173 HydrophobicContact CB-CB 4.12Å; L150-L173 HydrophobicContact CD1-CB 4.26Å; L150-L173 HydrophobicContact CD1-CD1 4.38Å; L150-L173 HydrophobicContact CG-CB 4.44Å; L150-L173 PolarHBondContact N-O 2.92Å; L150-L173 PolarHBondContact O-N 3.32Å; R171-L173 HydrophobicContact CG-CD2 4.46Å; R171-L173 HydrophobicContact CG-CG 4.33Å
174Y98.7Very high89.3Confident2 Ų247.3 Ų47.31%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-128.1133.2179.2-178.6-122.1000109.9W73 C74 V86 L89 I127 H131 I147 N148 I149W73-Y174 WeakPolarHBondContact CA-O 3.4Å; W73-Y174 HydrophobicContact CB-CD1 4.46Å; W73-Y174 WeakPolarHBondContact CB-O 3.24Å; W73-Y174 AromaticContact CE3-CD1 3.82Å; W73-Y174 HydrophobicContact CE3-CD1 3.82Å; W73-Y174 AromaticContact CE3-CE1 3.48Å; W73-Y174 HydrophobicContact CE3-CE1 3.48Å; W73-Y174 VanDerWaalsContact CE3-CE1 3.48Å; W73-Y174 AromaticContact CZ3-CE1 3.86Å; W73-Y174 HydrophobicContact CZ3-CE1 3.86Å; W73-Y174 AromaticContact CZ3-CZ 3.96Å; W73-Y174 PolarHBondContact N-O 3.25Å; C74-Y174 PolarHBondContact N-O 3.28Å; C74-Y174 VanDerWaalsContact N-O 3.1Å; C74-Y174 PolarHBondContact O-N 2.53Å; V86-Y174 HydrophobicContact CG2-CD1 3.84Å; V86-Y174 HydrophobicContact CG2-CE1 4.06Å; L89-Y174 HydrophobicContact CD1-CE1 4.41Å; I127-Y174 HydrophobicContact CG2-CD2 4.22Å; I127-Y174 HydrophobicContact CG2-CE1 4.3Å; I127-Y174 HydrophobicContact CG2-CE2 3.91Å; H131-Y174 AromaticContact CE1-CE1 3.92Å; H131-Y174 AromaticContact NE2-CE1 3.48Å; H131-Y174 WeakPolarHBondContact NE2-CE1 3.45Å; H131-Y174 AromaticContact NE2-CZ 3.59Å; H131-Y174 PolarHBondContact NE2-OH 3.14Å; I147-Y174 HydrophobicContact CG2-CD2 4.08Å; I147-Y174 HydrophobicContact CG2-CE2 3.29Å; N148-Y174 WeakPolarHBondContact O-CA 3.21Å; N148-Y174 WeakPolarHBondContact O-CD2 3.44Å; I149-Y174 HydrophobicContact CG1-CD2 3.65Å; I149-Y174 HydrophobicContact CG1-CE2 4.01Å
175G98.5Very high91.1Very high3 Ų346.2 Ų46.23%0.03126%0.258CS..EExtended strand (participates in β ladder)trans177.9173.4-175.200000114.7H71 N148H71-G175 CarbonylContact O-C 3.59Å; H71-G175 WeakPolarHBondContact O-CA 3.3Å; N148-G175 PolarHBondContact N-O 3.11Å; N148-G175 PolarHBondContact O-N 3.12Å; N148-G175 VanDerWaalsContact O-N 3.08Å
176R98Very high92.4Very high31 Ų3141.9 Ų41.912%0.11723%0.227CC..EExtended strand (participates in β ladder)trans-89.9139.2-178.9-179.8-178.964.995.2-0.3111.8D53 F70 H71 W73 Y97 I147 I178D53-R176 IonicContact OD1-NH2 2.66Å; D53-R176 IonicContact OD2-CZ 2.89Å; D53-R176 IonicContact OD2-NH2 3.29Å; D53-R176 PolarHBondContact OD2-NH2 2.92Å; F70-R176 CarbonylContact C-O 3.49Å; F70-R176 WeakPolarHBondContact CA-O 3.28Å; F70-R176 WeakPolarHBondContact CB-O 3.06Å; H71-R176 PolarHBondContact N-O 2.97Å; H71-R176 PolarHBondContact O-N 3Å; W73-R176 HydrophobicContact CH2-CB 4.26Å; W73-R176 HydrophobicContact CZ2-CB 3.67Å; Y97-R176 VanDerWaalsContact CZ-CD 3.45Å; Y97-R176 PolarHBondContact OH-NE 2.95Å; Y97-R176 PolarHBondContact OH-NH2 2.85Å; I147-R176 HydrophobicContact CD1-CB 3.74Å; I147-R176 HydrophobicContact CD1-CG 3.81Å; R176-I178 PolarHBondContact O-N 2.93Å
177L98.3Very high93.1Very high46 Ų4642.3 Ų42.324%0.24122%0.22CC..EExtended strand (participates in β ladder)trans-61.7126.1170.5-178.271.1000111.2F70 Q146F70-L177 HydrophobicContact CD1-CB 4.23Å; F70-L177 HydrophobicContact CD1-CD1 3.99Å; F70-L177 HydrophobicContact CE1-CB 4.33Å; F70-L177 HydrophobicContact CE1-CD1 3.53Å; F70-L177 HydrophobicContact CZ-CD1 4.27Å; Q146-L177 HydrophobicContact CB-CB 4.03Å; Q146-L177 HydrophobicContact CB-CD2 4.16Å; Q146-L177 HydrophobicContact CG-CB 4.43Å; Q146-L177 WeakPolarHBondContact O-CB 3.38Å; Q146-L177 PolarHBondContact O-N 3.48Å
178I97.5Very high93.3Very high21 Ų2144.1 Ų44.111%0.10823%0.226CC..EExtended strand (participates in β ladder)trans-88.9-44.5167.5-62.3-52.8000110.4Y4 D53 V56 L57 A69 H71 R176Y4-I178 HydrophobicContact CD1-CG1 4.06Å; Y4-I178 HydrophobicContact CE1-CD1 4.21Å; Y4-I178 HydrophobicContact CE1-CG1 3.99Å; D53-I178 HydrophobicContact CB-CD1 4.18Å; V56-I178 HydrophobicContact CB-CG2 4.27Å; V56-I178 HydrophobicContact CG1-CB 4.24Å; V56-I178 HydrophobicContact CG1-CG1 4.49Å; V56-I178 HydrophobicContact CG1-CG2 3.78Å; L57-I178 HydrophobicContact CD1-CG2 4.42Å; L57-I178 HydrophobicContact CD2-CG2 3.82Å; L57-I178 HydrophobicContact CG-CG2 3.68Å; A69-I178 HydrophobicContact CB-CB 4.38Å; A69-I178 PolarHBondContact O-N 2.98Å; H71-I178 HydrophobicContact CB-CD1 3.88Å; H71-I178 HydrophobicContact CB-CG1 4.25Å; R176-I178 PolarHBondContact O-N 2.93Å
179G94.9Very high93.4Very high14 Ų1443.6 Ų43.614%0.14423%0.227CC..EExtended strand (participates in β ladder)trans175.6169.4175.300000113.4S68 A69S68-G179 CarbonylContact C-O 3.53Å; S68-G179 WeakPolarHBondContact CA-O 3.43Å; S68-G179 WeakPolarHBondContact CB-O 3.48Å; A69-G179 PolarHBondContact N-O 3.48Å; A69-G179 PolarHBondContact O-N 3.3Å
180G91.8Very high93.3Very high53 Ų5342.3 Ų42.355%0.54622%0.218SC..EExtended strand (participates in β ladder)trans-100.2153.9169.100000111K67K67-G180 WeakPolarHBondContact O-CA 3.26Å
181S87.6Confident93.2Very high18 Ų1845.9 Ų45.913%0.12623%0.226CC..  trans-83.1163.1176.771.70000113.4I60 S63 I66 K67 R183I60-S181 WeakPolarHBondContact O-CA 3Å; I60-S181 WeakPolarHBondContact O-CB 3.43Å; S63-S181 WeakPolarHBondContact O-CB 3.37Å; I66-S181 WeakPolarHBondContact O-CB 3.42Å; I66-S181 PolarHBondContact O-OG 3.21Å; K67-S181 PolarHBondContact O-N 2.94Å; S181-R183 PolarHBondContact O-N 3.41Å; S181-R183 WeakPolarHBondContact OG-CB 3.5Å; S181-R183 PolarHBondContact OG-N 3.21Å
182I85.5Confident93Very high54 Ų5446.4 Ų46.428%0.27723%0.231SC..THydrogen-bonded Turntrans-69.6-5.5174.5-161.2164.4000113.1K61 R184 I185 M186 W240K61-I182 WeakPolarHBondContact O-CG2 3.14Å; I182-R184 PolarHBondContact O-N 2.85Å; I182-I185 HydrophobicContact CG1-CB 3.85Å; I182-I185 HydrophobicContact CG1-CD1 4.28Å; I182-I185 HydrophobicContact CG1-CG2 4.24Å; I182-I185 WeakPolarHBondContact O-CA 3.32Å; I182-I185 WeakPolarHBondContact O-CB 3.44Å; I182-I185 PolarHBondContact O-N 2.96Å; I182-M186 PolarHBondContact O-N 3.44Å; I182-W240 HydrophobicContact CG2-CH2 3.62Å; I182-W240 HydrophobicContact CG2-CZ3 4.29Å
183R88.5Confident92.6Very high55 Ų5550.6 Ų50.621%0.20826%0.261CS..Hα-helixtrans-41.7-47.8179.4179.6-173.9175-731113.2E12 V64 S181 M186 M187E12-R183 IonicContact OE2-CZ 3.29Å; E12-R183 IonicContact OE2-NE 2.71Å; E12-R183 IonicContact OE2-NH2 3.77Å; E12-R183 PolarHBondContact OE2-NH2 2.9Å; V64-R183 WeakPolarHBondContact O-CD 3.21Å; V64-R183 VanDerWaalsContact O-CG 3.25Å; V64-R183 WeakPolarHBondContact O-CG 3.49Å; S181-R183 PolarHBondContact O-N 3.41Å; S181-R183 WeakPolarHBondContact OG-CB 3.5Å; S181-R183 PolarHBondContact OG-N 3.21Å; R183-M186 PolarHBondContact O-N 2.68Å; R183-M187 HydrophobicContact CG-CE 3.92Å; R183-M187 HydrophobicContact CG-SD 3.84Å; R183-M187 PolarHBondContact NH1-SD 3.29Å; R183-M187 VanDerWaalsContact NH2-CE 3.34Å; R183-M187 WeakPolarHBondContact O-CB 3.25Å; R183-M187 VanDerWaalsContact O-CG 3.23Å; R183-M187 WeakPolarHBondContact O-CG 3.32Å; R183-M187 PolarHBondContact O-N 3.11Å
184R87.9Confident92.1Very high194 Ų19455.8 Ų55.873%0.73229%0.285SS*.Hα-helixtrans-65.5-40.4-178.2-175.1179.7179.7-169.5-1.5112.2I182 N188I182-R184 PolarHBondContact O-N 2.85Å; R184-N188 WeakPolarHBondContact O-CB 3.39Å; R184-N188 PolarHBondContact O-N 3.23Å; R184-N188 PolarHBondContact O-ND2 2.89Å
185I88.9Confident91.8Very high92 Ų9255.9 Ų55.947%0.47229%0.285SS..Hα-helixtrans-68.2-50.1177.8-62.1174.5000108.7I182 M187 N188 D189I182-I185 HydrophobicContact CG1-CB 3.85Å; I182-I185 HydrophobicContact CG1-CD1 4.28Å; I182-I185 HydrophobicContact CG1-CG2 4.24Å; I182-I185 WeakPolarHBondContact O-CA 3.32Å; I182-I185 WeakPolarHBondContact O-CB 3.44Å; I182-I185 PolarHBondContact O-N 2.96Å; I185-M187 VanDerWaalsContact C-N 3.29Å; I185-M187 PolarHBondContact O-N 2.98Å; I185-N188 PolarHBondContact O-N 3.07Å; I185-D189 WeakPolarHBondContact CG2-OD2 3.3Å; I185-D189 WeakPolarHBondContact O-CB 3.13Å; I185-D189 PolarHBondContact O-N 3.4Å
186M88.5Confident91.4Very high7 Ų757.1 Ų57.13%0.03430%0.295CS..Hα-helixtrans-54.3-43.7176.8-171.966179.900112.5V64 I182 R183 N188 Y190 V205 A209 A236 V239V64-M186 HydrophobicContact CG1-CG 4.33Å; I182-M186 PolarHBondContact O-N 3.44Å; R183-M186 PolarHBondContact O-N 2.68Å; M186-N188 VanDerWaalsContact C-N 3.31Å; M186-N188 PolarHBondContact O-N 3.44Å; M186-Y190 HydrophobicContact CE-CD2 4.28Å; M186-Y190 HydrophobicContact CE-CG 4.47Å; M186-Y190 HydrophobicContact CG-CD2 4.5Å; M186-Y190 WeakPolarHBondContact O-CB 3.33Å; M186-Y190 WeakPolarHBondContact O-CD2 3.47Å; M186-Y190 PolarHBondContact O-N 3.03Å; M186-Y190 HydrophobicContact SD-CD2 3.51Å; M186-Y190 VanDerWaalsContact SD-CD2 3.51Å; M186-Y190 HydrophobicContact SD-CE2 3.74Å; M186-Y190 HydrophobicContact SD-CG 4.26Å; M186-V205 HydrophobicContact CE-CG1 4.18Å; M186-V205 HydrophobicContact CG-CG1 4.24Å; M186-A209 HydrophobicContact CE-CB 4.04Å; M186-A236 HydrophobicContact CE-CB 4.31Å; M186-V239 HydrophobicContact CE-CB 4.36Å; M186-V239 HydrophobicContact CE-CG1 4.42Å; M186-V239 HydrophobicContact CE-CG2 4.03Å; M186-V239 HydrophobicContact SD-CG1 3.99Å; M186-V239 HydrophobicContact SD-CG2 4.33Å
187M88.6Confident91.1Very high44 Ų4455.7 Ų55.722%0.21729%0.29CS..Hα-helixtrans-72.6-20.7178.5-73.7176.6166.900114.3R183 I185 R191 T206R183-M187 HydrophobicContact CG-CE 3.92Å; R183-M187 HydrophobicContact CG-SD 3.84Å; R183-M187 PolarHBondContact NH1-SD 3.29Å; R183-M187 VanDerWaalsContact NH2-CE 3.34Å; R183-M187 WeakPolarHBondContact O-CB 3.25Å; R183-M187 VanDerWaalsContact O-CG 3.23Å; R183-M187 WeakPolarHBondContact O-CG 3.32Å; R183-M187 PolarHBondContact O-N 3.11Å; I185-M187 VanDerWaalsContact C-N 3.29Å; I185-M187 PolarHBondContact O-N 2.98Å; M187-R191 WeakPolarHBondContact O-CG 3.45Å; M187-T206 HydrophobicContact CE-CG2 3.99Å; M187-T206 WeakPolarHBondContact CE-OG1 3.34Å
188N91.1Very high90.7Very high55 Ų5554.8 Ų54.829%0.29429%0.285SS..Hα-helixtrans-92.8-45.8-179.6-76.6-14.6000111.6R184 I185 M186 Y190 R191R184-N188 WeakPolarHBondContact O-CB 3.39Å; R184-N188 PolarHBondContact O-N 3.23Å; R184-N188 PolarHBondContact O-ND2 2.89Å; I185-N188 PolarHBondContact O-N 3.07Å; M186-N188 VanDerWaalsContact C-N 3.31Å; M186-N188 PolarHBondContact O-N 3.44Å; N188-Y190 VanDerWaalsContact C-N 3.34Å; N188-Y190 PolarHBondContact O-N 3.08Å; N188-R191 WeakPolarHBondContact O-CD 3.22Å; N188-R191 VanDerWaalsContact O-CG 3.27Å; N188-R191 WeakPolarHBondContact O-CG 3.48Å; N188-R191 PolarHBondContact OD1-NE 3.34Å; N188-R191 PolarHBondContact OD1-NH2 3.48Å
189D92.9Very high90.2Very high94 Ų9454.5 Ų54.550%0.50329%0.287SS..Hα-helixtrans-77.7-24.2-172.4-63.13.5000111.9I185 Y280I185-D189 WeakPolarHBondContact CG2-OD2 3.3Å; I185-D189 WeakPolarHBondContact O-CB 3.13Å; I185-D189 PolarHBondContact O-N 3.4Å; D189-Y280 WeakPolarHBondContact O-CE1 3.16Å
190Y94.1Very high89.6Confident31 Ų3160.2 Ų60.212%0.12231%0.314CS..THydrogen-bonded Turntrans-112.223.1-177.4-59.4-89.2000113.3M186 N188 L192 V205 I235 V239 Y280 L282M186-Y190 HydrophobicContact CE-CD2 4.28Å; M186-Y190 HydrophobicContact CE-CG 4.47Å; M186-Y190 HydrophobicContact CG-CD2 4.5Å; M186-Y190 WeakPolarHBondContact O-CB 3.33Å; M186-Y190 WeakPolarHBondContact O-CD2 3.47Å; M186-Y190 PolarHBondContact O-N 3.03Å; M186-Y190 HydrophobicContact SD-CD2 3.51Å; M186-Y190 VanDerWaalsContact SD-CD2 3.51Å; M186-Y190 HydrophobicContact SD-CE2 3.74Å; M186-Y190 HydrophobicContact SD-CG 4.26Å; N188-Y190 VanDerWaalsContact C-N 3.34Å; N188-Y190 PolarHBondContact O-N 3.08Å; Y190-L192 PolarHBondContact O-N 3.22Å; Y190-V205 WeakPolarHBondContact O-CG2 3.25Å; Y190-I235 HydrophobicContact CD1-CG2 4.28Å; Y190-I235 HydrophobicContact CE1-CG2 4.48Å; Y190-V239 HydrophobicContact CD1-CG2 4.18Å; Y190-V239 HydrophobicContact CE1-CG2 3.43Å; Y190-V239 VanDerWaalsContact CE1-CG2 3.43Å; Y190-V239 HydrophobicContact CE2-CG1 4.38Å; Y190-V239 HydrophobicContact CE2-CG2 3.97Å; Y190-V239 WeakPolarHBondContact OH-CG2 3.31Å; Y190-Y280 AromaticContact CD1-CD1 3.68Å; Y190-Y280 HydrophobicContact CD1-CD1 3.68Å; Y190-Y280 AromaticContact CD1-CD2 3.95Å; Y190-Y280 HydrophobicContact CD1-CD2 3.95Å; Y190-Y280 AromaticContact CD1-CE1 3.79Å; Y190-Y280 HydrophobicContact CD1-CE1 3.79Å; Y190-Y280 HydrophobicContact CD1-CE2 4.05Å; Y190-Y280 AromaticContact CD1-CG 3.77Å; Y190-Y280 HydrophobicContact CD1-CG 3.77Å; Y190-Y280 AromaticContact CD1-CZ 3.97Å; Y190-Y280 AromaticContact CE1-CD1 3.74Å; Y190-Y280 HydrophobicContact CE1-CD1 3.74Å; Y190-Y280 HydrophobicContact CE1-CD2 4.07Å; Y190-Y280 HydrophobicContact CE1-CE1 4.34Å; Y190-Y280 AromaticContact CE1-CG 3.6Å; Y190-Y280 HydrophobicContact CE1-CG 3.6Å; Y190-Y280 HydrophobicContact CG-CE1 4.45Å; Y190-L282 HydrophobicContact CE1-CD1 4.39Å
191R92.7Very high89.2Confident113 Ų11359.9 Ų59.943%0.42630%0.302SS..  trans-52.3128.4178.7-76.3175.8176.6-161.95111.4M187 N188 S193 E194 R195M187-R191 WeakPolarHBondContact O-CG 3.45Å; N188-R191 WeakPolarHBondContact O-CD 3.22Å; N188-R191 VanDerWaalsContact O-CG 3.27Å; N188-R191 WeakPolarHBondContact O-CG 3.48Å; N188-R191 PolarHBondContact OD1-NE 3.34Å; N188-R191 PolarHBondContact OD1-NH2 3.48Å; R191-S193 PolarHBondContact O-N 3.47Å; R191-E194 HydrophobicContact CB-CB 4.5Å; R191-E194 HydrophobicContact CB-CG 4.47Å; R191-E194 PolarHBondContact O-N 3.21Å; R191-E194 VanDerWaalsContact O-N 3.12Å; R191-R195 PolarHBondContact O-N 3.02Å
192L91.8Very high89.3Confident43 Ų4360.1 Ų60.123%0.22530%0.302CS..G310 helixtrans-63.6-30.1-179.8-62-174.2000113.1Y190 E194 R195 L198 T202 V205Y190-L192 PolarHBondContact O-N 3.22Å; L192-E194 PolarHBondContact O-N 2.8Å; L192-R195 VanDerWaalsContact CD2-NH1 3.29Å; L192-R195 WeakPolarHBondContact O-CB 3.48Å; L192-R195 PolarHBondContact O-N 2.68Å; L192-L198 HydrophobicContact CB-CD1 4.13Å; L192-L198 HydrophobicContact CD2-CD1 4.35Å; L192-T202 HydrophobicContact CD1-CG2 4.08Å; L192-T202 HydrophobicContact CD2-CG2 3.87Å; L192-V205 HydrophobicContact CD2-CG2 3.85Å; L192-V205 HydrophobicContact CG-CG2 3.91Å
193S89.7Confident89.5Confident91 Ų9158 Ų5864%0.63629%0.291SS*.G310 helixtrans-61.7-28.6176.8500000112.9R191R191-S193 PolarHBondContact O-N 3.47Å
194E89.6Confident89.7Confident111 Ų11158.8 Ų58.852%0.51930%0.3SS..G310 helixtrans-100.7-7.1-176.2-65.6169.1-151.500112.1R191 L192 Q279R191-E194 HydrophobicContact CB-CB 4.5Å; R191-E194 HydrophobicContact CB-CG 4.47Å; R191-E194 PolarHBondContact O-N 3.21Å; R191-E194 VanDerWaalsContact O-N 3.12Å; L192-E194 PolarHBondContact O-N 2.8Å; E194-Q279 PolarHBondContact O-NE2 2.92Å
195R92Very high90Very high4 Ų450.3 Ų50.32%0.01527%0.269CS..  trans-67.8132.8-177.9-175.4173.6-69.7177.2-1.4111.6R191 L192 H197 S232 K262 N276 Y280R191-R195 PolarHBondContact O-N 3.02Å; L192-R195 VanDerWaalsContact CD2-NH1 3.29Å; L192-R195 WeakPolarHBondContact O-CB 3.48Å; L192-R195 PolarHBondContact O-N 2.68Å; R195-H197 VanDerWaalsContact CD-O 3.32Å; R195-H197 WeakPolarHBondContact CD-O 3.09Å; R195-H197 WeakPolarHBondContact CG-O 3.04Å; R195-S232 PolarHBondContact NH1-OG 3.31Å; R195-K262 VanDerWaalsContact O-CE 3.24Å; R195-K262 WeakPolarHBondContact O-CE 3.49Å; R195-K262 PolarHBondContact O-NZ 2.99Å; R195-N276 WeakPolarHBondContact CG-OD1 3.3Å; R195-Y280 WeakPolarHBondContact CB-OH 3.47Å; R195-Y280 HydrophobicContact CG-CE2 4.44Å; R195-Y280 PolarHBondContact NE-OH 2.78Å
196A90.1Very high90.3Very high29 Ų2946.2 Ų46.224%0.2425%0.249CC..SBendtrans-58.1-60.5-179.600000111.4E271 N276A196-E271 VanDerWaalsContact O-CD 3.24Å; A196-E271 WeakPolarHBondContact O-CG 3.18Å; A196-E271 VanDerWaalsContact O-OE2 3.09Å; A196-N276 PolarHBondContact N-OD1 2.84Å
197H90.4Very high90.6Very high1 Ų146 Ų461%0.00525%0.248CC..SBendtrans-103.3113.8-178.7178.383.4000111.4R195 T230 V253 R268 E271 T272 N276R195-H197 VanDerWaalsContact CD-O 3.32Å; R195-H197 WeakPolarHBondContact CD-O 3.09Å; R195-H197 WeakPolarHBondContact CG-O 3.04Å; H197-T230 WeakPolarHBondContact NE2-CG2 3.25Å; H197-V253 PolarHBondContact CE1-O 3.11Å; H197-V253 PolarHBondContact NE2-O 3.37Å; H197-R268 PolarHBondContact CE1-NH1 3.49Å; H197-R268 PolarHBondContact ND1-NH1 2.99Å; H197-E271 HydrophobicContact CB-CB 3.96Å; H197-E271 VanDerWaalsContact ND1-C 3.34Å; H197-E271 PolarHBondContact ND1-O 2.93Å; H197-T272 WeakPolarHBondContact CB-O 3.47Å; H197-N276 PolarHBondContact N-OD1 3.34Å; H197-N276 PolarHBondContact O-ND2 3.23Å
198L90.9Very high91Very high27 Ų2744 Ų4414%0.14124%0.238CC..  trans-130.2149.8-175.9-169.171.4000111.3L192 T202 P261 R268L192-L198 HydrophobicContact CB-CD1 4.13Å; L192-L198 HydrophobicContact CD2-CD1 4.35Å; L198-T202 HydrophobicContact CD1-CG2 3.54Å; L198-P261 HydrophobicContact CB-CG 4.04Å; L198-P261 HydrophobicContact CD2-CG 4.21Å; L198-P261 HydrophobicContact CG-CG 4.15Å; L198-P261 WeakPolarHBondContact O-CD 3.15Å; L198-P261 WeakPolarHBondContact O-CG 3.41Å; L198-R268 PolarHBondContact O-NH1 3.2Å; L198-R268 VanDerWaalsContact O-NH1 3.1Å; L198-R268 PolarHBondContact O-NH2 3.05Å
199G85.8Confident91.3Very high14 Ų1441.3 Ų41.314%0.14422%0.224CC..  trans-125.9165.1175.900000111.6T201 T202 T230G199-T201 PolarHBondContact O-N 2.96Å; G199-T202 WeakPolarHBondContact CA-OG1 3.28Å; G199-T202 PolarHBondContact N-OG1 2.79Å; G199-T202 PolarHBondContact O-N 2.91Å; G199-T202 PolarHBondContact O-OG1 3.38Å; G199-T230 VanDerWaalsContact N-CG2 3.3Å
200N82.9Confident91.5Very high135 Ų13536.9 Ų36.972%0.72220%0.2SC*.THydrogen-bonded Turntrans-61.4-28.2-179.5-67.4-27.2000112.9P261N200-P261 VanDerWaalsContact OD1-CB 3.3Å; N200-P261 WeakPolarHBondContact OD1-CB 3.35Å
201T83.8Confident91.7Very high46 Ų4635.4 Ų35.428%0.28219%0.194SC..THydrogen-bonded Turntrans-112.214.5-174.8510000113.7G199 M203 R321 E322G199-T201 PolarHBondContact O-N 2.96Å; T201-M203 PolarHBondContact O-N 2.88Å; T201-R321 HydrophobicContact CG2-CG 3.94Å; T201-E322 HydrophobicContact CG2-CG 3.87Å; T201-E322 WeakPolarHBondContact CG2-OE1 3.42Å; T201-E322 PolarHBondContact OG1-OE1 3.44Å; T201-E322 VanDerWaalsContact OG1-OE1 3.13Å
202T89Confident91.9Very high22 Ų2230 Ų3014%0.13517%0.174CC..PPolyproline II helixtrans-51.7129.5175.5-63.40000111.9L192 L198 G199 T230 S232L192-T202 HydrophobicContact CD1-CG2 4.08Å; L192-T202 HydrophobicContact CD2-CG2 3.87Å; L198-T202 HydrophobicContact CD1-CG2 3.54Å; G199-T202 WeakPolarHBondContact CA-OG1 3.28Å; G199-T202 PolarHBondContact N-OG1 2.79Å; G199-T202 PolarHBondContact O-N 2.91Å; G199-T202 PolarHBondContact O-OG1 3.38Å; T202-T230 PolarHBondContact OG1-OG1 3.37Å; T202-S232 WeakPolarHBondContact CG2-OG 3.24Å
203M91.2Very high92.2Very high9 Ų928 Ų284%0.04416%0.163CC..PPolyproline II helixtrans-63.9143.6177.6-172.963.974.500112.3T201 L207 A208 M211 D315T201-M203 PolarHBondContact O-N 2.88Å; M203-L207 HydrophobicContact CG-CB 4.05Å; M203-L207 HydrophobicContact SD-CB 3.75Å; M203-L207 HydrophobicContact SD-CD1 3.87Å; M203-L207 HydrophobicContact SD-CG 4.49Å; M203-A208 HydrophobicContact CG-CB 4.09Å; M203-M211 HydrophobicContact CE-SD 4.01Å; M203-D315 HydrophobicContact CE-CB 3.61Å; M203-D315 VanDerWaalsContact CE-CG 3.45Å; M203-D315 WeakPolarHBondContact CE-OD2 3.14Å
204N92.3Very high92.6Very high73 Ų7323.7 Ų23.739%0.3913%0.133SC..PPolyproline II helixtrans-60.1140.6170.4173.8-83.4000111.5T206 L207 A208N204-T206 PolarHBondContact O-N 2.55Å; N204-T206 WeakPolarHBondContact OD1-CA 3.18Å; N204-T206 VanDerWaalsContact OD1-CB 3.24Å; N204-T206 WeakPolarHBondContact OD1-CB 3.21Å; N204-T206 PolarHBondContact OD1-N 3.39Å; N204-T206 PolarHBondContact OD1-OG1 3.17Å; N204-L207 HydrophobicContact CB-CB 4.36Å; N204-L207 HydrophobicContact CB-CD1 4.23Å; N204-L207 HydrophobicContact CB-CG 4.35Å; N204-L207 PolarHBondContact O-N 2.84Å; N204-L207 PolarHBondContact OD1-N 2.85Å; N204-A208 PolarHBondContact O-N 2.66Å
205V94.2Very high93Very high15 Ų1518.4 Ų18.49%0.09111%0.109CC..Hα-helixtrans-56.8-46.1-177-176.70000112.6M186 Y190 L192 L207 A208 A209M186-V205 HydrophobicContact CE-CG1 4.18Å; M186-V205 HydrophobicContact CG-CG1 4.24Å; Y190-V205 WeakPolarHBondContact O-CG2 3.25Å; L192-V205 HydrophobicContact CD2-CG2 3.85Å; L192-V205 HydrophobicContact CG-CG2 3.91Å; V205-L207 PolarHBondContact O-N 2.91Å; V205-A208 PolarHBondContact O-N 3.45Å; V205-A209 WeakPolarHBondContact O-CB 3.34Å; V205-A209 PolarHBondContact O-N 3.2Å
206T94.3Very high93.3Very high7 Ų719.1 Ų19.14%0.04311%0.113CC..Hα-helixtrans-61.3-46.5179.1-44.20000110.7E12 F13 V64 L65 M187 N204 A209 I210E12-T206 PolarHBondContact OE1-OG1 3.43Å; F13-T206 HydrophobicContact CD2-CG2 3.88Å; F13-T206 HydrophobicContact CE2-CG2 3.89Å; V64-T206 HydrophobicContact CG2-CG2 4.22Å; L65-T206 HydrophobicContact CD2-CG2 4.34Å; M187-T206 HydrophobicContact CE-CG2 3.99Å; M187-T206 WeakPolarHBondContact CE-OG1 3.34Å; N204-T206 PolarHBondContact O-N 2.55Å; N204-T206 WeakPolarHBondContact OD1-CA 3.18Å; N204-T206 VanDerWaalsContact OD1-CB 3.24Å; N204-T206 WeakPolarHBondContact OD1-CB 3.21Å; N204-T206 PolarHBondContact OD1-N 3.39Å; N204-T206 PolarHBondContact OD1-OG1 3.17Å; T206-A209 PolarHBondContact O-N 2.83Å; T206-I210 HydrophobicContact CG2-CD1 4.16Å; T206-I210 VanDerWaalsContact O-CG1 3.28Å; T206-I210 WeakPolarHBondContact O-CG1 3.4Å; T206-I210 PolarHBondContact O-N 3.1Å
207L95.6Very high93.7Very high2 Ų217.8 Ų17.81%0.0110%0.101CC..Hα-helixtrans-63.3-43.9179-73.1178.5000111.9F13 M203 N204 V205 A209 I210 M211 W412F13-L207 HydrophobicContact CD1-CD2 3.69Å; F13-L207 HydrophobicContact CD2-CD2 4.39Å; F13-L207 HydrophobicContact CE1-CD1 4.11Å; F13-L207 HydrophobicContact CE1-CD2 3.33Å; F13-L207 HydrophobicContact CE1-CG 3.81Å; F13-L207 HydrophobicContact CE2-CD2 4.11Å; F13-L207 HydrophobicContact CE2-CG 4.2Å; F13-L207 HydrophobicContact CG-CD2 4.24Å; F13-L207 HydrophobicContact CZ-CD1 4.08Å; F13-L207 HydrophobicContact CZ-CD2 3.58Å; F13-L207 HydrophobicContact CZ-CG 3.59Å; M203-L207 HydrophobicContact CG-CB 4.05Å; M203-L207 HydrophobicContact SD-CB 3.75Å; M203-L207 HydrophobicContact SD-CD1 3.87Å; M203-L207 HydrophobicContact SD-CG 4.49Å; N204-L207 HydrophobicContact CB-CB 4.36Å; N204-L207 HydrophobicContact CB-CD1 4.23Å; N204-L207 HydrophobicContact CB-CG 4.35Å; N204-L207 PolarHBondContact O-N 2.84Å; N204-L207 PolarHBondContact OD1-N 2.85Å; V205-L207 PolarHBondContact O-N 2.91Å; L207-A209 VanDerWaalsContact C-N 3.29Å; L207-A209 PolarHBondContact O-N 2.92Å; L207-I210 HydrophobicContact CD2-CD1 4.27Å; L207-I210 PolarHBondContact O-N 3.15Å; L207-M211 VanDerWaalsContact O-CG 3.25Å; L207-M211 WeakPolarHBondContact O-CG 3Å; L207-M211 PolarHBondContact O-N 3.24Å; L207-W412 HydrophobicContact CD1-CZ2 4.24Å; L207-W412 HydrophobicContact CD2-CH2 4.28Å; L207-W412 HydrophobicContact CD2-CZ2 4Å
208A97Very high94Very high1 Ų123.2 Ų23.21%0.00812%0.122CC..Hα-helixtrans-61-39.3175.800000111.8M203 N204 V205 M211 A212 S232 A236M203-A208 HydrophobicContact CG-CB 4.09Å; N204-A208 PolarHBondContact O-N 2.66Å; V205-A208 PolarHBondContact O-N 3.45Å; A208-M211 WeakPolarHBondContact O-CB 3.01Å; A208-M211 PolarHBondContact O-N 2.74Å; A208-A212 PolarHBondContact O-N 2.97Å; A208-S232 WeakPolarHBondContact CB-O 3.14Å; A208-A236 HydrophobicContact CB-CB 3.83Å; A208-A236 WeakPolarHBondContact O-CB 3.2Å
209A96.6Very high94.3Very high0 Ų029.9 Ų29.90%015%0.15CC..Hα-helixtrans-69.4-39.3176.400000113V64 M186 V205 T206 L207 M211 A212 N213V64-A209 HydrophobicContact CB-CB 4.27Å; V64-A209 HydrophobicContact CG1-CB 3.67Å; V64-A209 HydrophobicContact CG2-CB 3.85Å; M186-A209 HydrophobicContact CE-CB 4.04Å; V205-A209 WeakPolarHBondContact O-CB 3.34Å; V205-A209 PolarHBondContact O-N 3.2Å; T206-A209 PolarHBondContact O-N 2.83Å; L207-A209 VanDerWaalsContact C-N 3.29Å; L207-A209 PolarHBondContact O-N 2.92Å; A209-M211 VanDerWaalsContact C-N 3.33Å; A209-A212 PolarHBondContact O-N 3.41Å; A209-N213 PolarHBondContact O-N 3.31Å
210I96.8Very high94.8Very high0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-58.9-47.6170.6-66.4163.6000109.5F13 F16 V64 L65 T206 L207 A212 N213 V214 L450F13-I210 HydrophobicContact CB-CD1 4.24Å; F13-I210 HydrophobicContact CD2-CD1 4.07Å; F13-I210 HydrophobicContact CG-CD1 4.2Å; F16-I210 HydrophobicContact CB-CD1 4.29Å; F16-I210 HydrophobicContact CB-CG2 4.43Å; F16-I210 HydrophobicContact CD1-CG2 4.1Å; V64-I210 HydrophobicContact CG2-CG1 3.68Å; L65-I210 HydrophobicContact CD1-CD1 4.05Å; L65-I210 HydrophobicContact CD1-CG1 4.26Å; L65-I210 HydrophobicContact CD2-CD1 3.83Å; L65-I210 HydrophobicContact CD2-CG1 4.39Å; L65-I210 HydrophobicContact CG-CD1 4.11Å; L65-I210 HydrophobicContact CG-CG1 4.21Å; T206-I210 HydrophobicContact CG2-CD1 4.16Å; T206-I210 VanDerWaalsContact O-CG1 3.28Å; T206-I210 WeakPolarHBondContact O-CG1 3.4Å; T206-I210 PolarHBondContact O-N 3.1Å; L207-I210 HydrophobicContact CD2-CD1 4.27Å; L207-I210 PolarHBondContact O-N 3.15Å; I210-A212 VanDerWaalsContact C-N 3.31Å; I210-A212 PolarHBondContact O-N 3.27Å; I210-N213 PolarHBondContact O-N 3.16Å; I210-N213 VanDerWaalsContact O-N 3.09Å; I210-V214 HydrophobicContact CG2-CG1 4.16Å; I210-V214 WeakPolarHBondContact O-CG1 3.49Å; I210-V214 WeakPolarHBondContact O-CG2 3.45Å; I210-V214 PolarHBondContact O-N 3.18Å; I210-L450 HydrophobicContact CG2-CD2 4.31Å
211M98.3Very high95.5Very high1 Ų126.7 Ų26.71%0.00514%0.136CC..Hα-helixtrans-56.6-44177.9-71.6174.47500112M203 L207 A208 A209 G215 T233 T314 V410 W412 L450M203-M211 HydrophobicContact CE-SD 4.01Å; L207-M211 VanDerWaalsContact O-CG 3.25Å; L207-M211 WeakPolarHBondContact O-CG 3Å; L207-M211 PolarHBondContact O-N 3.24Å; A208-M211 WeakPolarHBondContact O-CB 3.01Å; A208-M211 PolarHBondContact O-N 2.74Å; A209-M211 VanDerWaalsContact C-N 3.33Å; M211-G215 WeakPolarHBondContact O-CA 3.41Å; M211-G215 PolarHBondContact O-N 3.04Å; M211-T233 HydrophobicContact CE-CG2 3.83Å; M211-T233 HydrophobicContact SD-CG2 3.98Å; M211-T314 VanDerWaalsContact CE-O 3.24Å; M211-T314 WeakPolarHBondContact CE-O 3.35Å; M211-V410 HydrophobicContact CB-CG1 4.21Å; M211-V410 HydrophobicContact CE-CG1 4.32Å; M211-V410 HydrophobicContact CG-CG1 4.12Å; M211-W412 PolarHBondContact SD-NE1 2.79Å; M211-L450 HydrophobicContact CE-CD1 4.4Å; M211-L450 HydrophobicContact CG-CD1 3.79Å; M211-L450 HydrophobicContact CG-CD2 4.48Å; M211-L450 HydrophobicContact SD-CD1 4.38Å
212A98.3Very high96.1Very high0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-65.9-36.5176.100000113A208 A209 I210 L216 C217 A236 A237A208-A212 PolarHBondContact O-N 2.97Å; A209-A212 PolarHBondContact O-N 3.41Å; I210-A212 VanDerWaalsContact C-N 3.31Å; I210-A212 PolarHBondContact O-N 3.27Å; A212-L216 PolarHBondContact O-N 2.86Å; A212-C217 HydrophobicContact CB-CB 4.27Å; A212-C217 VanDerWaalsContact O-CB 3.27Å; A212-C217 WeakPolarHBondContact O-CB 3.37Å; A212-C217 PolarHBondContact O-N 3.48Å; A212-C217 PolarHBondContact O-SG 3.4Å; A212-C217 VanDerWaalsContact O-SG 3.37Å; A212-A236 HydrophobicContact CB-CB 4.26Å; A212-A237 HydrophobicContact CB-CB 4.16Å
213N97.7Very high96.6Very high0 Ų027.3 Ų27.30%013%0.133CC..Hα-helixtrans-68.2-48.6176.1-74.4-12.7000111.7E20 L24 R62 A209 I210 G215 L216 W240E20-N213 HydrophobicContact CG-CB 4.08Å; E20-N213 PolarHBondContact OE1-ND2 3.41Å; L24-N213 HydrophobicContact CD2-CB 4.23Å; R62-N213 PolarHBondContact NE-OD1 3.27Å; R62-N213 PolarHBondContact NH2-OD1 2.96Å; R62-N213 PolarHBondContact O-ND2 3.04Å; A209-N213 PolarHBondContact O-N 3.31Å; I210-N213 PolarHBondContact O-N 3.16Å; I210-N213 VanDerWaalsContact O-N 3.09Å; N213-G215 VanDerWaalsContact C-N 3.26Å; N213-G215 PolarHBondContact O-N 2.93Å; N213-L216 PolarHBondContact O-N 3.42Å; N213-W240 PolarHBondContact OD1-NE1 3.1Å
214V98Very high96.9Very high0 Ų027.6 Ų27.60%013%0.133CC..Hα-helixtrans-73.5-20.7179.3-52.70000113.1I19 S23 I210 L216 V410 L450 V452I19-V214 HydrophobicContact CB-CG1 4.46Å; I19-V214 HydrophobicContact CG1-CB 4.28Å; I19-V214 HydrophobicContact CG1-CG1 3.81Å; I19-V214 HydrophobicContact CG2-CG1 4.13Å; S23-V214 WeakPolarHBondContact OG-CA 3.45Å; I210-V214 HydrophobicContact CG2-CG1 4.16Å; I210-V214 WeakPolarHBondContact O-CG1 3.49Å; I210-V214 WeakPolarHBondContact O-CG2 3.45Å; I210-V214 PolarHBondContact O-N 3.18Å; V214-L216 PolarHBondContact O-N 2.98Å; V214-V410 HydrophobicContact CG2-CG1 3.76Å; V214-V410 HydrophobicContact CG2-CG2 4Å; V214-L450 HydrophobicContact CG2-CD2 4.38Å; V214-V452 HydrophobicContact CB-CG1 4.48Å; V214-V452 HydrophobicContact CB-CG2 4.17Å; V214-V452 HydrophobicContact CG2-CG2 3.74Å
215G98.4Very high97.2Very high1 Ų124.2 Ų24.21%0.0112%0.116CC..THydrogen-bonded Turntrans-78.61.6167.800000113.9M211 N213 C217 A311M211-G215 WeakPolarHBondContact O-CA 3.41Å; M211-G215 PolarHBondContact O-N 3.04Å; N213-G215 VanDerWaalsContact C-N 3.26Å; N213-G215 PolarHBondContact O-N 2.93Å; G215-C217 PolarHBondContact O-N 2.84Å; G215-C217 VanDerWaalsContact O-N 3.11Å; G215-A311 VanDerWaalsContact O-CB 3.23Å; G215-A311 WeakPolarHBondContact O-CB 3.24Å
216L98.2Very high97.3Very high19 Ų1923.6 Ų23.610%0.09911%0.112CC..THydrogen-bonded Turntrans55.924.3-179-55.7177.6000115S23 E26 M27 A212 N213 V214 R218 R408S23-L216 VanDerWaalsContact O-CD2 3.23Å; S23-L216 WeakPolarHBondContact O-CD2 3.42Å; E26-L216 WeakPolarHBondContact OE1-CD1 3.44Å; M27-L216 HydrophobicContact CB-CD2 4.31Å; M27-L216 VanDerWaalsContact CE-CA 3.46Å; M27-L216 HydrophobicContact CE-CB 4.21Å; M27-L216 HydrophobicContact CE-CD2 4.15Å; A212-L216 PolarHBondContact O-N 2.86Å; N213-L216 PolarHBondContact O-N 3.42Å; V214-L216 PolarHBondContact O-N 2.98Å; L216-R218 PolarHBondContact O-N 2.87Å; L216-R218 PolarHBondContact O-NH1 2.87Å; L216-R408 HydrophobicContact CB-CG 4.47Å; L216-R408 HydrophobicContact CD1-CG 3.94Å; L216-R408 HydrophobicContact CG-CG 4.01Å
217C98.4Very high97.4Very high0 Ų024.7 Ų24.70%012%0.116CC..  trans-63.2125.8-177.4-58.30000110.1R62 A212 G215 V223 A237 S242R62-C217 PolarHBondContact NH1-O 2.8Å; R62-C217 PolarHBondContact NH2-O 3.02Å; A212-C217 HydrophobicContact CB-CB 4.27Å; A212-C217 VanDerWaalsContact O-CB 3.27Å; A212-C217 WeakPolarHBondContact O-CB 3.37Å; A212-C217 PolarHBondContact O-N 3.48Å; A212-C217 PolarHBondContact O-SG 3.4Å; A212-C217 VanDerWaalsContact O-SG 3.37Å; G215-C217 PolarHBondContact O-N 2.84Å; G215-C217 VanDerWaalsContact O-N 3.11Å; C217-V223 HydrophobicContact CB-CG2 4.03Å; C217-A237 HydrophobicContact CB-CB 3.85Å; C217-S242 WeakPolarHBondContact CB-OG 3.48Å
218R96.9Very high97.4Very high115 Ų11524.9 Ų24.943%0.43412%0.117SC..  trans-147.7180-174.260.3-177.5176.2-99.82.9110.9M27 L216 S220 S221 W240 G241 S242M27-R218 HydrophobicContact SD-CB 4.11Å; L216-R218 PolarHBondContact O-N 2.87Å; L216-R218 PolarHBondContact O-NH1 2.87Å; R218-S220 PolarHBondContact O-N 2.84Å; R218-S221 PolarHBondContact N-OG 3.09Å; R218-S221 PolarHBondContact O-N 3.49Å; R218-S221 PolarHBondContact O-OG 2.9Å; R218-W240 CarbonylContact C-O 3.54Å; R218-G241 CarbonylContact O-C 3.59Å; R218-S242 PolarHBondContact N-OG 2.96Å; R218-S242 WeakPolarHBondContact O-CA 3.41Å; R218-S242 PolarHBondContact O-N 3.26Å; R218-S242 PolarHBondContact O-OG 3Å
219K97.3Very high97.3Very high168 Ų16825.6 Ų25.673%0.7312%0.124SC*.THydrogen-bonded Turntrans-50.3129.6176.3-170.3178.7177.6-176.40110.6S221 W240 G241K219-S221 PolarHBondContact O-N 2.96Å; K219-W240 PolarHBondContact N-O 3.36Å; K219-G241 WeakPolarHBondContact CA-O 3.05Å
220S95.2Very high97.2Very high76 Ų7626 Ų2653%0.53113%0.127SC..THydrogen-bonded Turntrans69.55.7178.9-52.80000116.4R218 G241R218-S220 PolarHBondContact O-N 2.84Å; S220-G241 PolarHBondContact N-O 3.01Å; S220-G241 VanDerWaalsContact N-O 3.07Å
221S97.3Very high97.2Very high5 Ų526 Ų264%0.03513%0.127CC..  trans-78.6143.5171.164.50000111.4R218 K219 S242 F243 D310R218-S221 PolarHBondContact N-OG 3.09Å; R218-S221 PolarHBondContact O-N 3.49Å; R218-S221 PolarHBondContact O-OG 2.9Å; K219-S221 PolarHBondContact O-N 2.96Å; S221-S242 CarbonylContact O-C 3.59Å; S221-S242 WeakPolarHBondContact O-CA 3.23Å; S221-S242 WeakPolarHBondContact O-CB 3.35Å; S221-S242 WeakPolarHBondContact OG-CB 3.28Å; S221-S242 PolarHBondContact OG-OG 3.37Å; S221-S242 VanDerWaalsContact OG-OG 3.04Å; S221-F243 PolarHBondContact O-N 3.36Å; S221-D310 WeakPolarHBondContact CA-OD2 3.42Å; S221-D310 WeakPolarHBondContact CB-OD2 3.42Å
222F97.9Very high97.1Very high82 Ų8226.3 Ų26.336%0.3613%0.129SC..EExtended strand (participates in β ladder)trans-94.6124.6172.2-67.2-99.5000109.9F243 L287 F309 D310 A311F222-F243 HydrophobicContact CD1-CB 3.97Å; F222-F243 HydrophobicContact CE1-CB 4.18Å; F222-F243 HydrophobicContact CE1-CD2 4.22Å; F222-F243 HydrophobicContact CE1-CG 4.26Å; F222-F243 HydrophobicContact CE2-CD2 4.39Å; F222-F243 HydrophobicContact CG-CB 4.49Å; F222-F243 HydrophobicContact CZ-CD2 4.12Å; F222-L287 HydrophobicContact CD1-CD1 3.85Å; F222-L287 HydrophobicContact CD1-CD2 3.85Å; F222-L287 HydrophobicContact CD1-CG 4.46Å; F222-L287 HydrophobicContact CE1-CD2 3.82Å; F222-F309 HydrophobicContact CB-CD1 3.79Å; F222-F309 HydrophobicContact CB-CE1 4.42Å; F222-D310 PolarHBondContact N-OD2 2.85Å; F222-D310 PolarHBondContact O-N 2.84Å; F222-A311 PolarHBondContact O-N 3.21Å
223V98.6Very high97Very high0 Ų026.5 Ų26.50%013%0.13CC..EExtended strand (participates in β ladder)trans-124129.6-173.3-179.30000109.9C217 A237 F243 G245 A311 I313C217-V223 HydrophobicContact CB-CG2 4.03Å; V223-A237 HydrophobicContact CB-CB 4.18Å; V223-A237 HydrophobicContact CG1-CB 3.94Å; V223-A237 HydrophobicContact CG2-CB 4.09Å; V223-F243 PolarHBondContact N-O 3.31Å; V223-G245 PolarHBondContact O-N 2.87Å; V223-A311 WeakPolarHBondContact CA-O 3.34Å; V223-A311 HydrophobicContact CG1-CB 4.5Å; V223-A311 HydrophobicContact CG2-CB 4.28Å; V223-I313 HydrophobicContact CG1-CD1 3.69Å; V223-I313 HydrophobicContact CG1-CG1 3.61Å
224W97.9Very high97.1Very high14 Ų1426.5 Ų26.55%0.05313%0.13CC..EExtended strand (participates in β ladder)trans-119.7138.7-177-166.1-102.5000112.4G245 G246 M290 F309 A311 I312 I313W224-G245 CarbonylContact C-O 3.55Å; W224-G245 WeakPolarHBondContact CA-O 3.02Å; W224-G245 VanDerWaalsContact CZ3-C 3.47Å; W224-G246 VanDerWaalsContact CE2-CA 3.5Å; W224-G246 VanDerWaalsContact CH2-CA 3.47Å; W224-G246 VanDerWaalsContact CH2-O 3.23Å; W224-G246 WeakPolarHBondContact CH2-O 3.42Å; W224-G246 VanDerWaalsContact CZ2-CA 3.42Å; W224-G246 WeakPolarHBondContact CZ2-O 3.26Å; W224-M290 HydrophobicContact CH2-CE 3.38Å; W224-M290 HydrophobicContact CH2-CG 4.45Å; W224-M290 HydrophobicContact CZ2-CE 3.46Å; W224-M290 VanDerWaalsContact CZ2-CE 3.46Å; W224-M290 HydrophobicContact CZ3-CE 4.48Å; W224-F309 HydrophobicContact CB-CB 4.47Å; W224-F309 HydrophobicContact CB-CD1 3.86Å; W224-F309 HydrophobicContact CB-CD2 3.55Å; W224-F309 HydrophobicContact CB-CE1 3.94Å; W224-F309 HydrophobicContact CB-CE2 3.62Å; W224-F309 HydrophobicContact CB-CG 3.7Å; W224-F309 HydrophobicContact CB-CZ 3.82Å; W224-F309 HydrophobicContact CD2-CE1 4.2Å; W224-F309 AromaticContact CD2-CE2 3.77Å; W224-F309 HydrophobicContact CD2-CE2 3.77Å; W224-F309 AromaticContact CD2-CZ 3.54Å; W224-F309 HydrophobicContact CD2-CZ 3.54Å; W224-F309 AromaticContact CE3-CE1 3.74Å; W224-F309 HydrophobicContact CE3-CE1 3.74Å; W224-F309 HydrophobicContact CE3-CE2 4.09Å; W224-F309 AromaticContact CE3-CZ 3.35Å; W224-F309 HydrophobicContact CE3-CZ 3.35Å; W224-F309 AromaticContact CG-CD2 3.99Å; W224-F309 HydrophobicContact CG-CD2 3.99Å; W224-F309 HydrophobicContact CG-CE1 4.33Å; W224-F309 AromaticContact CG-CE2 3.57Å; W224-F309 HydrophobicContact CG-CE2 3.57Å; W224-F309 AromaticContact CG-CZ 3.77Å; W224-F309 HydrophobicContact CG-CZ 3.77Å; W224-F309 HydrophobicContact CZ3-CZ 4.15Å; W224-A311 PolarHBondContact N-O 3.14Å; W224-I312 HydrophobicContact CB-CG1 4.32Å; W224-I312 VanDerWaalsContact O-CA 3.25Å; W224-I312 WeakPolarHBondContact O-CA 3.39Å; W224-I313 PolarHBondContact O-N 3.35Å; W224-I313 VanDerWaalsContact O-N 3.11Å
225D98.1Very high97.1Very high3 Ų326.6 Ų26.62%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-121.2109.1169.8-170.4-21.3000110F227 I228 T233 V234 G245 G246 S247 I313 T314D225-F227 PolarHBondContact O-N 3.24Å; D225-F227 WeakPolarHBondContact OD1-CA 3.2Å; D225-F227 PolarHBondContact OD1-N 2.94Å; D225-I228 HydrophobicContact CB-CB 3.98Å; D225-I228 HydrophobicContact CB-CD1 4.49Å; D225-I228 HydrophobicContact CB-CG1 4.13Å; D225-I228 VanDerWaalsContact CG-CA 3.49Å; D225-I228 PolarHBondContact OD1-N 3.04Å; D225-T233 PolarHBondContact OD2-OG1 2.88Å; D225-V234 HydrophobicContact CB-CG1 3.76Å; D225-G245 PolarHBondContact N-O 3.32Å; D225-G246 CarbonylContact O-C 3.53Å; D225-G246 WeakPolarHBondContact O-CA 3.27Å; D225-S247 PolarHBondContact O-N 3.44Å; D225-I313 WeakPolarHBondContact CA-O 3.47Å; D225-I313 VanDerWaalsContact CB-O 3.22Å; D225-I313 WeakPolarHBondContact CB-O 3.48Å; D225-T314 WeakPolarHBondContact OD1-CB 3.48Å; D225-T314 PolarHBondContact OD1-OG1 3.28Å
226P96.9Very high97Very high1 Ų126.7 Ų26.71%0.00613%0.131CC..THydrogen-bonded Turntrans-76.3-0.9179.231.4-36.4000114.6S247 I294 I312 T314 L395 L398P226-S247 CarbonylContact C-O 3.6Å; P226-S247 WeakPolarHBondContact CA-OG 3.22Å; P226-S247 PolarHBondContact O-OG 3.41Å; P226-I294 HydrophobicContact CB-CD1 3.98Å; P226-I294 HydrophobicContact CB-CG1 4.47Å; P226-I294 HydrophobicContact CG-CD1 4.17Å; P226-I312 HydrophobicContact CG-CG2 4.27Å; P226-T314 HydrophobicContact CG-CG2 4.38Å; P226-L395 HydrophobicContact CG-CD1 3.57Å; P226-L398 HydrophobicContact CB-CD2 3.98Å; P226-L398 HydrophobicContact CG-CD2 4.5Å
227F96.3Very high97Very high31 Ų3125.8 Ų25.814%0.13613%0.127CC..THydrogen-bonded Turntrans-134.151.4171.6-56.2-81.4000109.7D225 G229 S247 I294 T314 P316 P317 I391 L395D225-F227 PolarHBondContact O-N 3.24Å; D225-F227 WeakPolarHBondContact OD1-CA 3.2Å; D225-F227 PolarHBondContact OD1-N 2.94Å; F227-G229 VanDerWaalsContact C-N 3.27Å; F227-G229 PolarHBondContact O-N 2.89Å; F227-G229 VanDerWaalsContact O-N 3.17Å; F227-S247 WeakPolarHBondContact CA-O 3.33Å; F227-S247 PolarHBondContact N-O 2.85Å; F227-I294 HydrophobicContact CD2-CD1 4.47Å; F227-I294 HydrophobicContact CE1-CB 4.38Å; F227-I294 HydrophobicContact CE1-CD1 4.41Å; F227-I294 HydrophobicContact CE1-CG2 4.08Å; F227-I294 HydrophobicContact CE2-CD1 3.44Å; F227-I294 VanDerWaalsContact CE2-CD1 3.44Å; F227-I294 HydrophobicContact CZ-CB 4.07Å; F227-I294 HydrophobicContact CZ-CD1 3.39Å; F227-I294 HydrophobicContact CZ-CG1 4.33Å; F227-I294 HydrophobicContact CZ-CG2 3.79Å; F227-T314 HydrophobicContact CD2-CG2 4.41Å; F227-T314 WeakPolarHBondContact CD2-OG1 3.21Å; F227-P316 HydrophobicContact CD2-CB 3.79Å; F227-P316 HydrophobicContact CD2-CG 3.77Å; F227-P316 HydrophobicContact CE2-CB 3.71Å; F227-P316 HydrophobicContact CE2-CG 3.8Å; F227-P316 HydrophobicContact CG-CB 4.35Å; F227-P316 HydrophobicContact CZ-CB 4.22Å; F227-P317 HydrophobicContact CE1-CG 4.41Å; F227-I391 HydrophobicContact CE1-CG2 4.23Å; F227-I391 HydrophobicContact CE2-CG2 4.25Å; F227-I391 HydrophobicContact CZ-CG2 3.56Å; F227-L395 HydrophobicContact CE2-CD1 4.4Å
228I96.3Very high97Very high6 Ų625.8 Ų25.83%0.03113%0.127CC..  trans-61-31-163.2-168.4159.9000114.2D225 T230 G231 V234 S247 D248 L254 L273 V289D225-I228 HydrophobicContact CB-CB 3.98Å; D225-I228 HydrophobicContact CB-CD1 4.49Å; D225-I228 HydrophobicContact CB-CG1 4.13Å; D225-I228 VanDerWaalsContact CG-CA 3.49Å; D225-I228 PolarHBondContact OD1-N 3.04Å; I228-T230 PolarHBondContact O-N 2.93Å; I228-G231 WeakPolarHBondContact O-CA 3.46Å; I228-G231 PolarHBondContact O-N 3.44Å; I228-V234 HydrophobicContact CD1-CB 4.49Å; I228-V234 HydrophobicContact CD1-CG1 4.1Å; I228-V234 HydrophobicContact CD1-CG2 3.61Å; I228-V234 HydrophobicContact CG1-CG2 4.03Å; I228-S247 WeakPolarHBondContact CG2-O 3.13Å; I228-S247 PolarHBondContact N-O 2.8Å; I228-D248 HydrophobicContact CG2-CB 4.07Å; I228-L254 HydrophobicContact CG2-CD2 3.49Å; I228-L254 VanDerWaalsContact CG2-CD2 3.49Å; I228-L273 HydrophobicContact CD1-CD2 3.57Å; I228-L273 HydrophobicContact CG1-CD2 4.1Å; I228-V289 HydrophobicContact CD1-CG1 4.14Å; I228-V289 HydrophobicContact CG2-CG1 4.49Å
229G94.2Very high97Very high16 Ų1621.6 Ų21.617%0.16511%0.114CC..THydrogen-bonded Turntrans46.6-122.7-172.600000112.1F227 G231 D248F227-G229 VanDerWaalsContact C-N 3.27Å; F227-G229 PolarHBondContact O-N 2.89Å; F227-G229 VanDerWaalsContact O-N 3.17Å; G229-G231 PolarHBondContact O-N 3.2Å; G229-D248 WeakPolarHBondContact CA-OD2 3.29Å; G229-D248 PolarHBondContact N-OD2 3.28Å
230T94.4Very high96.9Very high9 Ų915.4 Ų15.46%0.0559%0.086CC..THydrogen-bonded Turntrans-84.610.6177.472.90000114.3H197 G199 T202 I228 V253H197-T230 WeakPolarHBondContact NE2-CG2 3.25Å; G199-T230 VanDerWaalsContact N-CG2 3.3Å; T202-T230 PolarHBondContact OG1-OG1 3.37Å; I228-T230 PolarHBondContact O-N 2.93Å; T230-V253 HydrophobicContact CG2-CG1 4.09Å
231G96.4Very high96.9Very high0 Ų012 Ų120%06%0.063CC..  trans7328.216900000117.4I228 G229 T233 V234 I235I228-G231 WeakPolarHBondContact O-CA 3.46Å; I228-G231 PolarHBondContact O-N 3.44Å; G229-G231 PolarHBondContact O-N 3.2Å; G231-T233 VanDerWaalsContact C-N 3.35Å; G231-T233 PolarHBondContact O-N 3.49Å; G231-V234 WeakPolarHBondContact O-CG2 3.24Å; G231-V234 PolarHBondContact O-N 2.93Å; G231-I235 WeakPolarHBondContact O-CB 3.4Å; G231-I235 WeakPolarHBondContact O-CD1 3.45Å; G231-I235 WeakPolarHBondContact O-CG1 3.45Å; G231-I235 PolarHBondContact O-N 2.96Å
232S96.5Very high97Very high7 Ų711.8 Ų11.85%0.0496%0.062CC..Hα-helixtrans-61.2-41.9-177.3-62.70000113.7R195 T202 A208 A236R195-S232 PolarHBondContact NH1-OG 3.31Å; T202-S232 WeakPolarHBondContact CG2-OG 3.24Å; A208-S232 WeakPolarHBondContact CB-O 3.14Å; S232-A236 WeakPolarHBondContact O-CB 3.23Å; S232-A236 PolarHBondContact O-N 3.45Å; S232-A236 VanDerWaalsContact O-N 3.09Å
233T97.4Very high97Very high4 Ų411 Ų113%0.0256%0.058CC..Hα-helixtrans-62-53.1178.8450000110.5M211 D225 G231 A236 A237 I313M211-T233 HydrophobicContact CE-CG2 3.83Å; M211-T233 HydrophobicContact SD-CG2 3.98Å; D225-T233 PolarHBondContact OD2-OG1 2.88Å; G231-T233 VanDerWaalsContact C-N 3.35Å; G231-T233 PolarHBondContact O-N 3.49Å; T233-A236 WeakPolarHBondContact O-CB 3.25Å; T233-A236 PolarHBondContact O-N 3.37Å; T233-A237 PolarHBondContact O-N 3.33Å; T233-I313 VanDerWaalsContact O-CD1 3.3Å; T233-I313 WeakPolarHBondContact O-CD1 3.2Å
234V98.2Very high97Very high0 Ų011 Ų110%06%0.058CC..Hα-helixtrans-70.7-33-179.7-60.50000113D225 I228 G231 A236 A237 S238 G245 L273 Y277D225-V234 HydrophobicContact CB-CG1 3.76Å; I228-V234 HydrophobicContact CD1-CB 4.49Å; I228-V234 HydrophobicContact CD1-CG1 4.1Å; I228-V234 HydrophobicContact CD1-CG2 3.61Å; I228-V234 HydrophobicContact CG1-CG2 4.03Å; G231-V234 WeakPolarHBondContact O-CG2 3.24Å; G231-V234 PolarHBondContact O-N 2.93Å; V234-A236 VanDerWaalsContact C-N 3.31Å; V234-A236 PolarHBondContact O-N 3.24Å; V234-A237 PolarHBondContact O-N 2.5Å; V234-S238 VanDerWaalsContact O-CB 3.31Å; V234-S238 WeakPolarHBondContact O-CB 3.25Å; V234-S238 PolarHBondContact O-N 3.49Å; V234-S238 PolarHBondContact O-OG 3.32Å; V234-G245 WeakPolarHBondContact CG1-O 3.01Å; V234-L273 HydrophobicContact CG2-CD2 4.19Å; V234-Y277 HydrophobicContact CG2-CE2 4.49Å; V234-Y277 PolarHBondContact O-OH 3.18Å
235I97.9Very high97Very high2 Ų210.3 Ų10.31%0.016%0.056CC..Hα-helixtrans-59.6-47171.2-73164.3000109.1Y190 G231 A237 S238 V239 L273 N276 Y277 Y280 L282Y190-I235 HydrophobicContact CD1-CG2 4.28Å; Y190-I235 HydrophobicContact CE1-CG2 4.48Å; G231-I235 WeakPolarHBondContact O-CB 3.4Å; G231-I235 WeakPolarHBondContact O-CD1 3.45Å; G231-I235 WeakPolarHBondContact O-CG1 3.45Å; G231-I235 PolarHBondContact O-N 2.96Å; I235-A237 VanDerWaalsContact C-N 3.32Å; I235-A237 PolarHBondContact O-N 3.47Å; I235-S238 CarbonylContact O-C 3.27Å; I235-S238 WeakPolarHBondContact O-CA 3.35Å; I235-S238 WeakPolarHBondContact O-CB 3.36Å; I235-S238 PolarHBondContact O-N 2.83Å; I235-S238 VanDerWaalsContact O-N 3.08Å; I235-V239 WeakPolarHBondContact O-CG2 3.46Å; I235-V239 PolarHBondContact O-N 2.82Å; I235-L273 HydrophobicContact CD1-CD1 3.79Å; I235-L273 HydrophobicContact CG1-CD1 4.05Å; I235-N276 HydrophobicContact CD1-CB 3.74Å; I235-Y277 HydrophobicContact CG1-CD2 4.15Å; I235-Y277 HydrophobicContact CG1-CE2 3.74Å; I235-Y280 HydrophobicContact CD1-CE2 4.45Å; I235-Y280 HydrophobicContact CG2-CD2 4.05Å; I235-Y280 HydrophobicContact CG2-CE2 4.28Å; I235-L282 HydrophobicContact CG2-CD1 4.24Å
236A97Very high97Very high3 Ų310.2 Ų10.23%0.0256%0.055CC..Hα-helixtrans-61.8-39178.400000112.4M186 A208 A212 S232 T233 V234 V239M186-A236 HydrophobicContact CE-CB 4.31Å; A208-A236 HydrophobicContact CB-CB 3.83Å; A208-A236 WeakPolarHBondContact O-CB 3.2Å; A212-A236 HydrophobicContact CB-CB 4.26Å; S232-A236 WeakPolarHBondContact O-CB 3.23Å; S232-A236 PolarHBondContact O-N 3.45Å; S232-A236 VanDerWaalsContact O-N 3.09Å; T233-A236 WeakPolarHBondContact O-CB 3.25Å; T233-A236 PolarHBondContact O-N 3.37Å; V234-A236 VanDerWaalsContact C-N 3.31Å; V234-A236 PolarHBondContact O-N 3.24Å; A236-V239 PolarHBondContact O-N 3.27Å
237A98.2Very high96.9Very high0 Ų010.1 Ų10.10%06%0.055CC..Hα-helixtrans-64.2-39.3171.800000112.7A212 C217 V223 T233 V234 I235 W240 S242 I313A212-A237 HydrophobicContact CB-CB 4.16Å; C217-A237 HydrophobicContact CB-CB 3.85Å; V223-A237 HydrophobicContact CB-CB 4.18Å; V223-A237 HydrophobicContact CG1-CB 3.94Å; V223-A237 HydrophobicContact CG2-CB 4.09Å; T233-A237 PolarHBondContact O-N 3.33Å; V234-A237 PolarHBondContact O-N 2.5Å; I235-A237 VanDerWaalsContact C-N 3.32Å; I235-A237 PolarHBondContact O-N 3.47Å; A237-W240 WeakPolarHBondContact O-CB 2.92Å; A237-W240 PolarHBondContact O-N 3.48Å; A237-W240 VanDerWaalsContact O-N 3.11Å; A237-S242 VanDerWaalsContact O-CB 3.22Å; A237-S242 WeakPolarHBondContact O-CB 3.04Å; A237-S242 PolarHBondContact O-N 3.12Å; A237-S242 PolarHBondContact O-OG 3.45Å; A237-I313 HydrophobicContact CB-CD1 3.97Å
238S98.2Very high96.8Very high0 Ų09.7 Ų9.70%05%0.053CC..Hα-helixtrans-69.1-30.7178.7-67.90000112.8V234 I235 W240 G241 S242 Y277 R285V234-S238 VanDerWaalsContact O-CB 3.31Å; V234-S238 WeakPolarHBondContact O-CB 3.25Å; V234-S238 PolarHBondContact O-N 3.49Å; V234-S238 PolarHBondContact O-OG 3.32Å; I235-S238 CarbonylContact O-C 3.27Å; I235-S238 WeakPolarHBondContact O-CA 3.35Å; I235-S238 WeakPolarHBondContact O-CB 3.36Å; I235-S238 PolarHBondContact O-N 2.83Å; I235-S238 VanDerWaalsContact O-N 3.08Å; S238-W240 PolarHBondContact O-N 3.02Å; S238-G241 PolarHBondContact O-N 3.03Å; S238-G241 VanDerWaalsContact O-N 3.14Å; S238-S242 WeakPolarHBondContact CA-O 3.43Å; S238-S242 PolarHBondContact OG-O 2.82Å; S238-Y277 WeakPolarHBondContact OG-CE1 3.47Å; S238-Y277 PolarHBondContact OG-OH 3.12Å; S238-R285 WeakPolarHBondContact O-CD 3.13Å; S238-R285 PolarHBondContact O-NH1 3.29Å
239V96.2Very high96.7Very high27 Ų2710.9 Ų10.916%0.1646%0.06CC..Hα-helixtrans-54.6-39.8168.2175.30000110.5M186 Y190 I235 A236 G241 L282 R285M186-V239 HydrophobicContact CE-CB 4.36Å; M186-V239 HydrophobicContact CE-CG1 4.42Å; M186-V239 HydrophobicContact CE-CG2 4.03Å; M186-V239 HydrophobicContact SD-CG1 3.99Å; M186-V239 HydrophobicContact SD-CG2 4.33Å; Y190-V239 HydrophobicContact CD1-CG2 4.18Å; Y190-V239 HydrophobicContact CE1-CG2 3.43Å; Y190-V239 VanDerWaalsContact CE1-CG2 3.43Å; Y190-V239 HydrophobicContact CE2-CG1 4.38Å; Y190-V239 HydrophobicContact CE2-CG2 3.97Å; Y190-V239 WeakPolarHBondContact OH-CG2 3.31Å; I235-V239 WeakPolarHBondContact O-CG2 3.46Å; I235-V239 PolarHBondContact O-N 2.82Å; A236-V239 PolarHBondContact O-N 3.27Å; V239-G241 VanDerWaalsContact C-N 3.31Å; V239-G241 PolarHBondContact O-N 3.18Å; V239-L282 HydrophobicContact CG2-CD1 4.13Å; V239-R285 PolarHBondContact O-NH1 3.04Å
240W95.3Very high96.5Very high37 Ų3712.8 Ų12.814%0.147%0.066CC..THydrogen-bonded Turntrans-82.75.5-179.2-57.6127.4000116R62 V64 I182 N213 R218 K219 A237 S238R62-W240 HydrophobicContact CB-CH2 4.26Å; R62-W240 HydrophobicContact CB-CZ3 4.24Å; R62-W240 HydrophobicContact CG-CD2 4.14Å; R62-W240 HydrophobicContact CG-CE3 3.96Å; R62-W240 HydrophobicContact CG-CH2 3.75Å; R62-W240 HydrophobicContact CG-CZ2 3.92Å; R62-W240 HydrophobicContact CG-CZ3 3.78Å; R62-W240 VanDerWaalsContact NH2-CG 3.25Å; R62-W240 WeakPolarHBondContact O-CH2 3.22Å; R62-W240 VanDerWaalsContact O-CZ2 3.26Å; R62-W240 WeakPolarHBondContact O-CZ2 3.13Å; V64-W240 HydrophobicContact CG1-CZ2 4.37Å; I182-W240 HydrophobicContact CG2-CH2 3.62Å; I182-W240 HydrophobicContact CG2-CZ3 4.29Å; N213-W240 PolarHBondContact OD1-NE1 3.1Å; R218-W240 CarbonylContact C-O 3.54Å; K219-W240 PolarHBondContact N-O 3.36Å; A237-W240 WeakPolarHBondContact O-CB 2.92Å; A237-W240 PolarHBondContact O-N 3.48Å; A237-W240 VanDerWaalsContact O-N 3.11Å; S238-W240 PolarHBondContact O-N 3.02Å
241G97Very high96.2Very high6 Ų616 Ų166%0.0628%0.078CC..THydrogen-bonded Turntrans104.8-3177.800000115.7R218 K219 S220 S238 V239 R285R218-G241 CarbonylContact O-C 3.59Å; K219-G241 WeakPolarHBondContact CA-O 3.05Å; S220-G241 PolarHBondContact N-O 3.01Å; S220-G241 VanDerWaalsContact N-O 3.07Å; S238-G241 PolarHBondContact O-N 3.03Å; S238-G241 VanDerWaalsContact O-N 3.14Å; V239-G241 VanDerWaalsContact C-N 3.31Å; V239-G241 PolarHBondContact O-N 3.18Å; G241-R285 VanDerWaalsContact CA-CZ 3.44Å
242S98.6Very high95.8Very high0 Ų018.4 Ų18.40%010%0.095CC..  trans-75.8153.2-177.7-44.60000111.2C217 R218 S221 A237 S238 R285C217-S242 WeakPolarHBondContact CB-OG 3.48Å; R218-S242 PolarHBondContact N-OG 2.96Å; R218-S242 WeakPolarHBondContact O-CA 3.41Å; R218-S242 PolarHBondContact O-N 3.26Å; R218-S242 PolarHBondContact O-OG 3Å; S221-S242 CarbonylContact O-C 3.59Å; S221-S242 WeakPolarHBondContact O-CA 3.23Å; S221-S242 WeakPolarHBondContact O-CB 3.35Å; S221-S242 WeakPolarHBondContact OG-CB 3.28Å; S221-S242 PolarHBondContact OG-OG 3.37Å; S221-S242 VanDerWaalsContact OG-OG 3.04Å; A237-S242 VanDerWaalsContact O-CB 3.22Å; A237-S242 WeakPolarHBondContact O-CB 3.04Å; A237-S242 PolarHBondContact O-N 3.12Å; A237-S242 PolarHBondContact O-OG 3.45Å; S238-S242 WeakPolarHBondContact CA-O 3.43Å; S238-S242 PolarHBondContact OG-O 2.82Å; S242-R285 WeakPolarHBondContact O-CB 3.48Å
243F98.6Very high95.4Very high65 Ų6519.7 Ų19.729%0.28510%0.102SC..EExtended strand (participates in β ladder)trans-84120.6160.8-65.6-83000108.6S221 F222 V223 S284 R285 L287S221-F243 PolarHBondContact O-N 3.36Å; F222-F243 HydrophobicContact CD1-CB 3.97Å; F222-F243 HydrophobicContact CE1-CB 4.18Å; F222-F243 HydrophobicContact CE1-CD2 4.22Å; F222-F243 HydrophobicContact CE1-CG 4.26Å; F222-F243 HydrophobicContact CE2-CD2 4.39Å; F222-F243 HydrophobicContact CG-CB 4.49Å; F222-F243 HydrophobicContact CZ-CD2 4.12Å; V223-F243 PolarHBondContact N-O 3.31Å; F243-S284 WeakPolarHBondContact CE1-O 3.24Å; F243-R285 CarbonylContact C-O 3.58Å; F243-R285 VanDerWaalsContact CA-O 3.3Å; F243-R285 WeakPolarHBondContact CA-O 3.46Å; F243-L287 HydrophobicContact CB-CD1 3.92Å; F243-L287 HydrophobicContact CB-CD2 3.7Å; F243-L287 HydrophobicContact CB-CG 3.68Å; F243-L287 HydrophobicContact CD1-CD2 4.42Å; F243-L287 HydrophobicContact CG-CD2 4.35Å; F243-L287 WeakPolarHBondContact O-CD1 3.39Å
244G98.2Very high95.2Very high0 Ų019.7 Ų19.70%010%0.102CC..EExtended strand (participates in β ladder)trans-113129.8-173.100000112.7Y277 R285 L287G244-Y277 PolarHBondContact O-OH 3.28Å; G244-R285 PolarHBondContact N-O 2.92Å; G244-L287 PolarHBondContact O-N 2.85Å
245G97.8Very high94.7Very high0 Ų023.6 Ų23.60%012%0.12CC..EExtended strand (participates in β ladder)trans-150.9175.4176.700000111.7V223 W224 D225 V234 D288V223-G245 PolarHBondContact O-N 2.87Å; W224-G245 CarbonylContact C-O 3.55Å; W224-G245 WeakPolarHBondContact CA-O 3.02Å; W224-G245 VanDerWaalsContact CZ3-C 3.47Å; D225-G245 PolarHBondContact N-O 3.32Å; V234-G245 WeakPolarHBondContact CG1-O 3.01Å; G245-D288 VanDerWaalsContact CA-O 3.3Å; G245-D288 WeakPolarHBondContact CA-O 3.39Å
246G96.9Very high94.2Very high0 Ų023.7 Ų23.70%012%0.121CC..EExtended strand (participates in β ladder)trans-177.1-178.4179.700000115.1W224 D225 D288 V289 M290W224-G246 VanDerWaalsContact CE2-CA 3.5Å; W224-G246 VanDerWaalsContact CH2-CA 3.47Å; W224-G246 VanDerWaalsContact CH2-O 3.23Å; W224-G246 WeakPolarHBondContact CH2-O 3.42Å; W224-G246 VanDerWaalsContact CZ2-CA 3.42Å; W224-G246 WeakPolarHBondContact CZ2-O 3.26Å; D225-G246 CarbonylContact O-C 3.53Å; D225-G246 WeakPolarHBondContact O-CA 3.27Å; G246-D288 PolarHBondContact N-O 3.48Å; G246-V289 CarbonylContact O-C 3.48Å; G246-V289 VanDerWaalsContact O-CA 3.26Å; G246-V289 WeakPolarHBondContact O-CA 3.42Å; G246-M290 PolarHBondContact O-N 3.13Å
247S95.8Very high93.5Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-126.2153.7172.157.70000111.7D225 P226 F227 I228 M290D225-S247 PolarHBondContact O-N 3.44Å; P226-S247 CarbonylContact C-O 3.6Å; P226-S247 WeakPolarHBondContact CA-OG 3.22Å; P226-S247 PolarHBondContact O-OG 3.41Å; F227-S247 WeakPolarHBondContact CA-O 3.33Å; F227-S247 PolarHBondContact N-O 2.85Å; I228-S247 WeakPolarHBondContact CG2-O 3.13Å; I228-S247 PolarHBondContact N-O 2.8Å; S247-M290 CarbonylContact C-O 3.42Å; S247-M290 WeakPolarHBondContact CA-O 3.35Å; S247-M290 VanDerWaalsContact CB-O 3.24Å; S247-M290 WeakPolarHBondContact CB-O 3.43Å
248D94.6Very high92.7Very high21 Ų2128.4 Ų28.411%0.11215%0.152CC..EExtended strand (participates in β ladder)trans-143.2150.9166.5-151.3-66.8000109.5I228 G229 D250 L254 M290 V291 A292I228-D248 HydrophobicContact CG2-CB 4.07Å; G229-D248 WeakPolarHBondContact CA-OD2 3.29Å; G229-D248 PolarHBondContact N-OD2 3.28Å; D248-D250 VanDerWaalsContact C-N 3.27Å; D248-D250 PolarHBondContact OD1-N 2.92Å; D248-L254 HydrophobicContact CB-CD1 3.86Å; D248-L254 HydrophobicContact CB-CD2 3.77Å; D248-L254 HydrophobicContact CB-CG 3.8Å; D248-M290 PolarHBondContact N-O 2.92Å; D248-M290 VanDerWaalsContact N-O 3.1Å; D248-V291 CarbonylContact O-C 3.55Å; D248-V291 VanDerWaalsContact O-CA 3.3Å; D248-V291 WeakPolarHBondContact O-CA 3.31Å; D248-A292 CarbonylContact C-O 3.6Å; D248-A292 VanDerWaalsContact C-O 3.27Å; D248-A292 PolarHBondContact O-N 3.36Å
249I93.2Very high91.8Very high31 Ų3134.3 Ų34.316%0.15918%0.181CC..SBendtrans-78.4-18.7173.4-160.9178000110.9Y251 A292 D293 V327 K383I249-Y251 PolarHBondContact O-N 3.17Å; I249-A292 PolarHBondContact N-O 3.07Å; I249-D293 HydrophobicContact CD1-CB 4.04Å; I249-D293 HydrophobicContact CG1-CB 4.24Å; I249-V327 HydrophobicContact CD1-CG2 4.05Å; I249-V327 HydrophobicContact CG1-CG2 4.27Å; I249-K383 HydrophobicContact CD1-CD 4.16Å; I249-K383 HydrophobicContact CD1-CG 4.27Å; I249-K383 HydrophobicContact CG1-CD 4.29Å; I249-K383 VanDerWaalsContact O-CE 3.27Å; I249-K383 WeakPolarHBondContact O-CE 3.39Å; I249-K383 PolarHBondContact O-NZ 3Å
250D89.8Confident90.9Very high56 Ų5633.6 Ų33.630%0.29918%0.177SC..  trans-89.495.4178.1-160.2-29.5000113.1D248 S252 V253 L254D248-D250 VanDerWaalsContact C-N 3.27Å; D248-D250 PolarHBondContact OD1-N 2.92Å; D250-S252 VanDerWaalsContact C-N 3.26Å; D250-S252 PolarHBondContact O-N 3.38Å; D250-S252 WeakPolarHBondContact OD1-CA 3.25Å; D250-S252 VanDerWaalsContact OD1-CB 3.3Å; D250-S252 WeakPolarHBondContact OD1-CB 3.45Å; D250-S252 PolarHBondContact OD1-N 3.36Å; D250-V253 HydrophobicContact CB-CB 4.12Å; D250-V253 HydrophobicContact CB-CG2 3.97Å; D250-V253 PolarHBondContact O-N 2.89Å; D250-V253 PolarHBondContact OD1-N 2.81Å; D250-L254 PolarHBondContact O-N 3.03Å; D250-L254 VanDerWaalsContact O-N 3.16Å
251Y88.7Confident89.9Confident76 Ų7633.9 Ų33.930%0.29818%0.184SC..Hα-helixtrans-50.5-43.1171.3176.9-92.2000113.2I249 V253 L254 H255 I257 V291 F380I249-Y251 PolarHBondContact O-N 3.17Å; Y251-V253 VanDerWaalsContact C-N 3.32Å; Y251-V253 PolarHBondContact O-N 2.87Å; Y251-L254 PolarHBondContact O-N 2.95Å; Y251-H255 AromaticContact CD2-CD2 3.32Å; Y251-H255 WeakPolarHBondContact CD2-CD2 3.31Å; Y251-H255 AromaticContact CD2-NE2 3.75Å; Y251-H255 AromaticContact CE2-CD2 3.09Å; Y251-H255 WeakPolarHBondContact CE2-CD2 3.23Å; Y251-H255 AromaticContact CE2-NE2 3.44Å; Y251-H255 WeakPolarHBondContact CE2-NE2 3.49Å; Y251-H255 AromaticContact CG-CD2 3.88Å; Y251-H255 AromaticContact CZ-CD2 3.51Å; Y251-H255 PolarHBondContact O-CD2 3.36Å; Y251-H255 PolarHBondContact O-N 3.2Å; Y251-I257 HydrophobicContact CD1-CD1 4.1Å; Y251-I257 HydrophobicContact CE1-CD1 3.36Å; Y251-V291 HydrophobicContact CD2-CG2 3.85Å; Y251-F380 AromaticContact CD1-CE1 3.94Å; Y251-F380 HydrophobicContact CD1-CE1 3.94Å; Y251-F380 HydrophobicContact CD1-CE2 4.15Å; Y251-F380 AromaticContact CD1-CZ 3.62Å; Y251-F380 HydrophobicContact CD1-CZ 3.62Å; Y251-F380 HydrophobicContact CD2-CD1 4.32Å; Y251-F380 AromaticContact CD2-CE1 3.42Å; Y251-F380 HydrophobicContact CD2-CE1 3.42Å; Y251-F380 VanDerWaalsContact CD2-CE1 3.42Å; Y251-F380 AromaticContact CD2-CZ 3.82Å; Y251-F380 HydrophobicContact CD2-CZ 3.82Å; Y251-F380 HydrophobicContact CE1-CE1 4.16Å; Y251-F380 HydrophobicContact CE1-CE2 4.18Å; Y251-F380 AromaticContact CE1-CZ 3.53Å; Y251-F380 HydrophobicContact CE1-CZ 3.53Å; Y251-F380 AromaticContact CE2-CE1 3.73Å; Y251-F380 HydrophobicContact CE2-CE1 3.73Å; Y251-F380 AromaticContact CE2-CZ 3.77Å; Y251-F380 HydrophobicContact CE2-CZ 3.77Å; Y251-F380 HydrophobicContact CG-CD1 4.23Å; Y251-F380 AromaticContact CG-CE1 3.57Å; Y251-F380 HydrophobicContact CG-CE1 3.57Å; Y251-F380 AromaticContact CG-CZ 3.78Å; Y251-F380 HydrophobicContact CG-CZ 3.78Å; Y251-F380 AromaticContact CZ-CZ 3.66Å
252S87.4Confident88.8Confident52 Ų5236 Ų3636%0.36419%0.192SC..Hα-helixtrans-66.3-39-175.3-600000110.9D250 G256 I257D250-S252 VanDerWaalsContact C-N 3.26Å; D250-S252 PolarHBondContact O-N 3.38Å; D250-S252 WeakPolarHBondContact OD1-CA 3.25Å; D250-S252 VanDerWaalsContact OD1-CB 3.3Å; D250-S252 WeakPolarHBondContact OD1-CB 3.45Å; D250-S252 PolarHBondContact OD1-N 3.36Å; S252-G256 PolarHBondContact O-N 2.86Å; S252-I257 PolarHBondContact O-N 3.43Å
253V89.5Confident87.6Confident34 Ų3441 Ų4121%0.20623%0.233CC..Hα-helixtrans-65.6-49.6175.51760000110.4H197 T230 D250 Y251 H255 G256H197-V253 PolarHBondContact CE1-O 3.11Å; H197-V253 PolarHBondContact NE2-O 3.37Å; T230-V253 HydrophobicContact CG2-CG1 4.09Å; D250-V253 HydrophobicContact CB-CB 4.12Å; D250-V253 HydrophobicContact CB-CG2 3.97Å; D250-V253 PolarHBondContact O-N 2.89Å; D250-V253 PolarHBondContact OD1-N 2.81Å; Y251-V253 VanDerWaalsContact C-N 3.32Å; Y251-V253 PolarHBondContact O-N 2.87Å; V253-H255 VanDerWaalsContact C-N 3.3Å; V253-H255 PolarHBondContact O-N 3.04Å; V253-G256 PolarHBondContact O-N 2.62Å
254L91.5Very high86.4Confident4 Ų442.1 Ų42.12%0.02126%0.263CS..Hα-helixtrans-61.5-37.6-177.4-67.4-176.5000113.4I228 D248 D250 Y251 V289 M290 V291I228-L254 HydrophobicContact CG2-CD2 3.49Å; I228-L254 VanDerWaalsContact CG2-CD2 3.49Å; D248-L254 HydrophobicContact CB-CD1 3.86Å; D248-L254 HydrophobicContact CB-CD2 3.77Å; D248-L254 HydrophobicContact CB-CG 3.8Å; D250-L254 PolarHBondContact O-N 3.03Å; D250-L254 VanDerWaalsContact O-N 3.16Å; Y251-L254 PolarHBondContact O-N 2.95Å; L254-V289 HydrophobicContact CB-CG2 4.3Å; L254-V289 HydrophobicContact CD1-CB 4.39Å; L254-V289 HydrophobicContact CD1-CG2 4.45Å; L254-V289 HydrophobicContact CD2-CB 4Å; L254-V289 HydrophobicContact CD2-CG1 4.14Å; L254-V289 HydrophobicContact CD2-CG2 4.27Å; L254-M290 WeakPolarHBondContact CD1-O 3.14Å; L254-V291 HydrophobicContact CD1-CB 4.35Å; L254-V291 HydrophobicContact CD1-CG2 3.74Å
255H88.5Confident85Confident81 Ų8146.4 Ų46.438%0.37528%0.283SS..THydrogen-bonded Turntrans-98.56.2-177.5-65.7-65.2000114.4Y251 V253 I257Y251-H255 AromaticContact CD2-CD2 3.32Å; Y251-H255 WeakPolarHBondContact CD2-CD2 3.31Å; Y251-H255 AromaticContact CD2-NE2 3.75Å; Y251-H255 AromaticContact CE2-CD2 3.09Å; Y251-H255 WeakPolarHBondContact CE2-CD2 3.23Å; Y251-H255 AromaticContact CE2-NE2 3.44Å; Y251-H255 WeakPolarHBondContact CE2-NE2 3.49Å; Y251-H255 AromaticContact CG-CD2 3.88Å; Y251-H255 AromaticContact CZ-CD2 3.51Å; Y251-H255 PolarHBondContact O-CD2 3.36Å; Y251-H255 PolarHBondContact O-N 3.2Å; V253-H255 VanDerWaalsContact C-N 3.3Å; V253-H255 PolarHBondContact O-N 3.04Å; H255-I257 HydrophobicContact CB-CD1 3.89Å; H255-I257 HydrophobicContact CB-CG1 4.18Å; H255-I257 PolarHBondContact O-N 2.86Å
256G87Confident84Confident4 Ų454 Ų544%0.04132%0.318CS..THydrogen-bonded Turntrans69.432175.400000114.6S252 V253 R268 E271S252-G256 PolarHBondContact O-N 2.86Å; V253-G256 PolarHBondContact O-N 2.62Å; G256-R268 WeakPolarHBondContact O-CB 3.27Å; G256-R268 WeakPolarHBondContact O-CD 3.37Å; G256-E271 WeakPolarHBondContact CA-O 3.46Å
257I83.1Confident82.9Confident74 Ų7458.7 Ų58.738%0.37934%0.339SS..  trans-99.4138.1-176.4-61.7166.9000109.3Y251 S252 H255Y251-I257 HydrophobicContact CD1-CD1 4.1Å; Y251-I257 HydrophobicContact CE1-CD1 3.36Å; S252-I257 PolarHBondContact O-N 3.43Å; H255-I257 HydrophobicContact CB-CD1 3.89Å; H255-I257 HydrophobicContact CB-CG1 4.18Å; H255-I257 PolarHBondContact O-N 2.86Å
258G81.1Confident82Confident28 Ų2860 Ų6029%0.28934%0.343SS..SBendtrans106.5-160.2179.200000112.6K267 R268G258-K267 WeakPolarHBondContact O-CA 3.48Å; G258-K267 WeakPolarHBondContact O-CG 3.13Å; G258-R268 WeakPolarHBondContact O-CG 3.35Å; G258-R268 PolarHBondContact O-N 3.48Å
259M78.6Confident81.1Confident125 Ų12564.6 Ų64.662%0.61638%0.376SS*.BIsolated β-bridgetrans-78.6144.7-174.6-62.8-60.2-68.400112R268M259-R268 PolarHBondContact O-NE 3.3Å
260S77.3Confident80.6Confident11 Ų1166.1 Ų66.18%0.07740%0.399CS..  trans-72138.9165.4177.30000109.4K262 Q265 E266S260-K262 PolarHBondContact O-N 2.89Å; S260-K262 PolarHBondContact OG-N 2.82Å; S260-Q265 PolarHBondContact OG-OE1 2.99Å; S260-E266 PolarHBondContact N-O 3.41Å
261P75.2Confident80.5Confident44 Ų4464.8 Ų64.829%0.28639%0.391SS..SBendtrans-75.8-7.4172.933.7-37.1000112.7L198 N200L198-P261 HydrophobicContact CB-CG 4.04Å; L198-P261 HydrophobicContact CD2-CG 4.21Å; L198-P261 HydrophobicContact CG-CG 4.15Å; L198-P261 WeakPolarHBondContact O-CD 3.15Å; L198-P261 WeakPolarHBondContact O-CG 3.41Å; N200-P261 VanDerWaalsContact OD1-CB 3.3Å; N200-P261 WeakPolarHBondContact OD1-CB 3.35Å
262K74.5Confident80.8Confident50 Ų5062.9 Ų62.922%0.21739%0.387CS..SBendtrans-73.7135-178.8-68.2176.2179.6164.60110.4R195 S260 G264 Q265R195-K262 VanDerWaalsContact O-CE 3.24Å; R195-K262 WeakPolarHBondContact O-CE 3.49Å; R195-K262 PolarHBondContact O-NZ 2.99Å; S260-K262 PolarHBondContact O-N 2.89Å; S260-K262 PolarHBondContact OG-N 2.82Å; K262-G264 PolarHBondContact O-N 3.23Å; K262-Q265 HydrophobicContact CB-CB 4.24Å; K262-Q265 HydrophobicContact CB-CG 3.98Å; K262-Q265 PolarHBondContact O-N 3.11Å; K262-Q265 VanDerWaalsContact O-N 3.15Å
263A71.4Confident81.1Confident105 Ų10560.5 Ų60.587%0.86837%0.371SS*.THydrogen-bonded Turntrans-57.6130.4178.400000111.1Q265A263-Q265 VanDerWaalsContact C-N 3.25Å; A263-Q265 PolarHBondContact O-N 3.04Å
264G73.6Confident81.4Confident88 Ų8864 Ų6491%0.90738%0.38SS*.THydrogen-bonded Turntrans77.21.6178.800000115.3K262K262-G264 PolarHBondContact O-N 3.23Å
265Q70.2Confident81.6Confident90 Ų9064.8 Ų64.842%0.42139%0.386SS..  trans-93.9147.9171.7-68.5-160.4-28.800111.9S260 K262 A263S260-Q265 PolarHBondContact OG-OE1 2.99Å; K262-Q265 HydrophobicContact CB-CB 4.24Å; K262-Q265 HydrophobicContact CB-CG 3.98Å; K262-Q265 PolarHBondContact O-N 3.11Å; K262-Q265 VanDerWaalsContact O-N 3.15Å; A263-Q265 VanDerWaalsContact C-N 3.25Å; A263-Q265 PolarHBondContact O-N 3.04Å
266E76.9Confident81.9Confident160 Ų16060.9 Ų60.975%0.74837%0.368SS*.  trans-91.4-140.8178.8-60.2-173166.700111S260S260-E266 PolarHBondContact N-O 3.41Å
267K72.9Confident82.5Confident98 Ų9860.7 Ų60.743%0.42637%0.366SS..BIsolated β-bridgetrans-63.4142175-163.2-177.7-174.9-1770109.9G258 E346G258-K267 WeakPolarHBondContact O-CA 3.48Å; G258-K267 WeakPolarHBondContact O-CG 3.13Å; K267-E346 IonicContact NZ-OE1 2.59Å; K267-E346 PolarHBondContact NZ-OE1 3.03Å
268R76.8Confident83.1Confident27 Ų2761.8 Ų61.810%0.10237%0.37CS..  trans-59.4138.7172.8-66174-169.6-126.73110.4H197 L198 G256 G258 M259 E271H197-R268 PolarHBondContact CE1-NH1 3.49Å; H197-R268 PolarHBondContact ND1-NH1 2.99Å; L198-R268 PolarHBondContact O-NH1 3.2Å; L198-R268 VanDerWaalsContact O-NH1 3.1Å; L198-R268 PolarHBondContact O-NH2 3.05Å; G256-R268 WeakPolarHBondContact O-CB 3.27Å; G256-R268 WeakPolarHBondContact O-CD 3.37Å; G258-R268 WeakPolarHBondContact O-CG 3.35Å; G258-R268 PolarHBondContact O-N 3.48Å; M259-R268 PolarHBondContact O-NE 3.3Å; R268-E271 HydrophobicContact CB-CB 4.44Å
269C75.7Confident83.8Confident119 Ų11964.1 Ų64.180%0.80437%0.373SS*.SBendtrans-122.489.5176.5-78.30000109.9E271C269-E271 VanDerWaalsContact C-N 3.27Å; C269-E271 PolarHBondContact O-N 3.03Å
270G82.4Confident84.7Confident62 Ų6259.3 Ų59.364%0.63935%0.348SS*.SBendtrans78.21.3175.700000115.8T272G270-T272 PolarHBondContact O-N 3.25Å
271E88.5Confident85.6Confident28 Ų2867.3 Ų67.313%0.13138%0.381CS..  trans-65.5110.4177.1-68.1171-145.900111.4A196 H197 G256 R268 C269A196-E271 VanDerWaalsContact O-CD 3.24Å; A196-E271 WeakPolarHBondContact O-CG 3.18Å; A196-E271 VanDerWaalsContact O-OE2 3.09Å; H197-E271 HydrophobicContact CB-CB 3.96Å; H197-E271 VanDerWaalsContact ND1-C 3.34Å; H197-E271 PolarHBondContact ND1-O 2.93Å; G256-E271 WeakPolarHBondContact CA-O 3.46Å; R268-E271 HydrophobicContact CB-CB 4.44Å; C269-E271 VanDerWaalsContact C-N 3.27Å; C269-E271 PolarHBondContact O-N 3.03Å
272T93.8Very high86.7Confident36 Ų3665.7 Ų65.722%0.22137%0.37CS..  trans-132.1174.8178.158.90000111.2H197 G270 R274 S275 N276H197-T272 WeakPolarHBondContact CB-O 3.47Å; G270-T272 PolarHBondContact O-N 3.25Å; T272-R274 PolarHBondContact O-N 2.56Å; T272-R274 PolarHBondContact OG1-N 3.39Å; T272-S275 PolarHBondContact N-OG 3.39Å; T272-S275 PolarHBondContact O-N 3.29Å; T272-S275 PolarHBondContact O-OG 3.24Å; T272-S275 PolarHBondContact OG1-N 2.84Å; T272-S275 VanDerWaalsContact OG1-N 3.16Å; T272-N276 PolarHBondContact O-N 3.07Å
273L95.5Very high87.8Confident2 Ų267.5 Ų67.51%0.0138%0.38CS..Hα-helixtrans-58.6-39.6167.9-177.855.3000111.2I228 V234 I235 S275 N276 Y277 Y286 V289I228-L273 HydrophobicContact CD1-CD2 3.57Å; I228-L273 HydrophobicContact CG1-CD2 4.1Å; V234-L273 HydrophobicContact CG2-CD2 4.19Å; I235-L273 HydrophobicContact CD1-CD1 3.79Å; I235-L273 HydrophobicContact CG1-CD1 4.05Å; L273-S275 VanDerWaalsContact C-N 3.32Å; L273-S275 PolarHBondContact O-N 3.2Å; L273-N276 HydrophobicContact CD1-CB 4.43Å; L273-N276 WeakPolarHBondContact O-CB 3.39Å; L273-N276 PolarHBondContact O-N 3.2Å; L273-N276 VanDerWaalsContact O-N 3.08Å; L273-Y277 HydrophobicContact CD1-CD2 3.9Å; L273-Y277 HydrophobicContact CD1-CE2 3.74Å; L273-Y277 HydrophobicContact CD2-CE2 4.24Å; L273-Y277 HydrophobicContact CG-CD2 3.97Å; L273-Y277 HydrophobicContact CG-CE2 3.86Å; L273-Y277 WeakPolarHBondContact O-CD2 3.22Å; L273-Y277 PolarHBondContact O-N 3.3Å; L273-Y286 HydrophobicContact CB-CE2 4.33Å; L273-Y286 HydrophobicContact CD2-CE2 3.95Å; L273-Y286 HydrophobicContact CG-CE2 3.86Å; L273-V289 HydrophobicContact CB-CG1 4.43Å; L273-V289 HydrophobicContact CD2-CG1 3.64Å
274R95.7Very high89Confident107 Ų10767 Ų6740%0.40437%0.37SS..Hα-helixtrans-58.6-42176.2-175.5177.9-71.1-88.55.9112T272 N276 Y277 E278 Y286 D288T272-R274 PolarHBondContact O-N 2.56Å; T272-R274 PolarHBondContact OG1-N 3.39Å; R274-N276 VanDerWaalsContact C-N 3.29Å; R274-N276 PolarHBondContact O-N 3.38Å; R274-Y277 WeakPolarHBondContact O-CA 3.3Å; R274-Y277 WeakPolarHBondContact O-CB 3.48Å; R274-Y277 PolarHBondContact O-N 3.3Å; R274-E278 WeakPolarHBondContact O-CG 3.29Å; R274-E278 PolarHBondContact O-N 3.48Å; R274-Y286 HydrophobicContact CB-CE1 4.23Å; R274-Y286 HydrophobicContact CG-CE1 4.43Å; R274-Y286 VanDerWaalsContact CZ-CE1 3.42Å; R274-Y286 VanDerWaalsContact NH2-CE1 3.26Å; R274-D288 IonicContact NH2-OD2 3.97Å; R274-D288 PolarHBondContact NH2-OD2 3.29Å
275S94.8Very high90.2Very high21 Ų2166.2 Ų66.215%0.14734%0.34CS..Hα-helixtrans-65.8-30176.672.30000113T272 L273 Q279T272-S275 PolarHBondContact N-OG 3.39Å; T272-S275 PolarHBondContact O-N 3.29Å; T272-S275 PolarHBondContact O-OG 3.24Å; T272-S275 PolarHBondContact OG1-N 2.84Å; T272-S275 VanDerWaalsContact OG1-N 3.16Å; L273-S275 VanDerWaalsContact C-N 3.32Å; L273-S275 PolarHBondContact O-N 3.2Å; S275-Q279 WeakPolarHBondContact O-CB 3.44Å; S275-Q279 PolarHBondContact O-N 3.41Å
276N95.9Very high91.5Very high0 Ų063.4 Ų63.40%033%0.325CS..Hα-helixtrans-66.4-41.9169.8-74.6-19.7000111.5R195 A196 H197 I235 T272 L273 R274 E278 Q279 Y280R195-N276 WeakPolarHBondContact CG-OD1 3.3Å; A196-N276 PolarHBondContact N-OD1 2.84Å; H197-N276 PolarHBondContact N-OD1 3.34Å; H197-N276 PolarHBondContact O-ND2 3.23Å; I235-N276 HydrophobicContact CD1-CB 3.74Å; T272-N276 PolarHBondContact O-N 3.07Å; L273-N276 HydrophobicContact CD1-CB 4.43Å; L273-N276 WeakPolarHBondContact O-CB 3.39Å; L273-N276 PolarHBondContact O-N 3.2Å; L273-N276 VanDerWaalsContact O-N 3.08Å; R274-N276 VanDerWaalsContact C-N 3.29Å; R274-N276 PolarHBondContact O-N 3.38Å; N276-E278 VanDerWaalsContact C-N 3.31Å; N276-E278 PolarHBondContact O-N 3.45Å; N276-Q279 PolarHBondContact O-N 3.35Å; N276-Y280 HydrophobicContact CB-CE2 4.37Å; N276-Y280 WeakPolarHBondContact O-CD2 3.49Å; N276-Y280 PolarHBondContact O-N 3.13Å; N276-Y280 VanDerWaalsContact O-N 3.1Å
277Y97.7Very high92.5Very high0 Ų058.6 Ų58.60%030%0.304CS..Hα-helixtrans-62.2-40.9176.2-88.7-106.1000111.3V234 I235 S238 G244 L273 R274 Y280 K281 L282 R285 Y286V234-Y277 HydrophobicContact CG2-CE2 4.49Å; V234-Y277 PolarHBondContact O-OH 3.18Å; I235-Y277 HydrophobicContact CG1-CD2 4.15Å; I235-Y277 HydrophobicContact CG1-CE2 3.74Å; S238-Y277 WeakPolarHBondContact OG-CE1 3.47Å; S238-Y277 PolarHBondContact OG-OH 3.12Å; G244-Y277 PolarHBondContact O-OH 3.28Å; L273-Y277 HydrophobicContact CD1-CD2 3.9Å; L273-Y277 HydrophobicContact CD1-CE2 3.74Å; L273-Y277 HydrophobicContact CD2-CE2 4.24Å; L273-Y277 HydrophobicContact CG-CD2 3.97Å; L273-Y277 HydrophobicContact CG-CE2 3.86Å; L273-Y277 WeakPolarHBondContact O-CD2 3.22Å; L273-Y277 PolarHBondContact O-N 3.3Å; R274-Y277 WeakPolarHBondContact O-CA 3.3Å; R274-Y277 WeakPolarHBondContact O-CB 3.48Å; R274-Y277 PolarHBondContact O-N 3.3Å; Y277-Y280 PolarHBondContact O-N 3.2Å; Y277-K281 PolarHBondContact O-N 2.68Å; Y277-L282 HydrophobicContact CD1-CB 3.6Å; Y277-L282 VanDerWaalsContact CD1-O 3.32Å; Y277-L282 WeakPolarHBondContact CD1-O 3.45Å; Y277-L282 HydrophobicContact CE1-CB 4.15Å; Y277-L282 HydrophobicContact CG-CB 4.29Å; Y277-L282 PolarHBondContact O-N 3Å; Y277-R285 HydrophobicContact CE1-CB 4.44Å; Y277-Y286 HydrophobicContact CD1-CD2 4.1Å; Y277-Y286 HydrophobicContact CD1-CG 4.31Å; Y277-Y286 AromaticContact CD2-CD2 3.65Å; Y277-Y286 HydrophobicContact CD2-CD2 3.65Å; Y277-Y286 HydrophobicContact CD2-CE2 4.29Å; Y277-Y286 HydrophobicContact CE1-CD2 4.2Å; Y277-Y286 AromaticContact CE2-CD2 3.73Å; Y277-Y286 HydrophobicContact CE2-CD2 3.73Å; Y277-Y286 HydrophobicContact CE2-CE2 4.36Å; Y277-Y286 AromaticContact CG-CD2 3.83Å; Y277-Y286 HydrophobicContact CG-CD2 3.83Å; Y277-Y286 HydrophobicContact CG-CG 4.26Å
278E96.9Very high93.5Very high96 Ų9657.4 Ų57.445%0.44930%0.302SS..Hα-helixtrans-61.4-49.9173.3-70.8165.1-171.400112.4R274 N276 Y280 K281 E283R274-E278 WeakPolarHBondContact O-CG 3.29Å; R274-E278 PolarHBondContact O-N 3.48Å; N276-E278 VanDerWaalsContact C-N 3.31Å; N276-E278 PolarHBondContact O-N 3.45Å; E278-Y280 PolarHBondContact O-N 3.33Å; E278-K281 PolarHBondContact O-N 2.67Å; E278-E283 VanDerWaalsContact CA-CD 3.48Å; E278-E283 WeakPolarHBondContact CA-OE1 3.37Å; E278-E283 HydrophobicContact CB-CG 4.16Å; E278-E283 HydrophobicContact CG-CG 3.52Å
279Q96Very high94.4Very high78 Ų7857.2 Ų57.236%0.36430%0.304SS..Hα-helixtrans-52.5-42177176.4-179.11.300112.2E194 S275 N276E194-Q279 PolarHBondContact O-NE2 2.92Å; S275-Q279 WeakPolarHBondContact O-CB 3.44Å; S275-Q279 PolarHBondContact O-N 3.41Å; N276-Q279 PolarHBondContact O-N 3.35Å
280Y96.7Very high95.3Very high24 Ų2455.4 Ų55.49%0.09429%0.285CS..THydrogen-bonded Turntrans-92.95-176.5-59.5-49.6000114.1D189 Y190 R195 I235 N276 Y277 E278 L282D189-Y280 WeakPolarHBondContact O-CE1 3.16Å; Y190-Y280 AromaticContact CD1-CD1 3.68Å; Y190-Y280 HydrophobicContact CD1-CD1 3.68Å; Y190-Y280 AromaticContact CD1-CD2 3.95Å; Y190-Y280 HydrophobicContact CD1-CD2 3.95Å; Y190-Y280 AromaticContact CD1-CE1 3.79Å; Y190-Y280 HydrophobicContact CD1-CE1 3.79Å; Y190-Y280 HydrophobicContact CD1-CE2 4.05Å; Y190-Y280 AromaticContact CD1-CG 3.77Å; Y190-Y280 HydrophobicContact CD1-CG 3.77Å; Y190-Y280 AromaticContact CD1-CZ 3.97Å; Y190-Y280 AromaticContact CE1-CD1 3.74Å; Y190-Y280 HydrophobicContact CE1-CD1 3.74Å; Y190-Y280 HydrophobicContact CE1-CD2 4.07Å; Y190-Y280 HydrophobicContact CE1-CE1 4.34Å; Y190-Y280 AromaticContact CE1-CG 3.6Å; Y190-Y280 HydrophobicContact CE1-CG 3.6Å; Y190-Y280 HydrophobicContact CG-CE1 4.45Å; R195-Y280 WeakPolarHBondContact CB-OH 3.47Å; R195-Y280 HydrophobicContact CG-CE2 4.44Å; R195-Y280 PolarHBondContact NE-OH 2.78Å; I235-Y280 HydrophobicContact CD1-CE2 4.45Å; I235-Y280 HydrophobicContact CG2-CD2 4.05Å; I235-Y280 HydrophobicContact CG2-CE2 4.28Å; N276-Y280 HydrophobicContact CB-CE2 4.37Å; N276-Y280 WeakPolarHBondContact O-CD2 3.49Å; N276-Y280 PolarHBondContact O-N 3.13Å; N276-Y280 VanDerWaalsContact O-N 3.1Å; Y277-Y280 PolarHBondContact O-N 3.2Å; E278-Y280 PolarHBondContact O-N 3.33Å; Y280-L282 VanDerWaalsContact C-N 3.28Å; Y280-L282 PolarHBondContact O-N 2.92Å
281K97.5Very high95.7Very high178 Ų17855.9 Ų55.977%0.77428%0.275SS*.THydrogen-bonded Turntrans57.739.4-177.9-54.5179.1-178.4178.60113Y277 E278 E283Y277-K281 PolarHBondContact O-N 2.68Å; E278-K281 PolarHBondContact O-N 2.67Å; K281-E283 WeakPolarHBondContact CA-OE2 3.46Å
282L97.7Very high95.9Very high10 Ų1055.5 Ų55.55%0.05228%0.277CS..  trans-108.63.8-178.1-63.9176.7000112.8Y190 I235 V239 Y277 Y280 S284 R285Y190-L282 HydrophobicContact CE1-CD1 4.39Å; I235-L282 HydrophobicContact CG2-CD1 4.24Å; V239-L282 HydrophobicContact CG2-CD1 4.13Å; Y277-L282 HydrophobicContact CD1-CB 3.6Å; Y277-L282 VanDerWaalsContact CD1-O 3.32Å; Y277-L282 WeakPolarHBondContact CD1-O 3.45Å; Y277-L282 HydrophobicContact CE1-CB 4.15Å; Y277-L282 HydrophobicContact CG-CB 4.29Å; Y277-L282 PolarHBondContact O-N 3Å; Y280-L282 VanDerWaalsContact C-N 3.28Å; Y280-L282 PolarHBondContact O-N 2.92Å; L282-S284 PolarHBondContact O-N 3.01Å; L282-R285 WeakPolarHBondContact O-CA 3.08Å; L282-R285 VanDerWaalsContact O-CB 3.31Å; L282-R285 WeakPolarHBondContact O-CB 3.42Å; L282-R285 PolarHBondContact O-N 2.77Å
283E97.3Very high95.9Very high88 Ų8854.5 Ų54.541%0.41127%0.27SS..G310 helixtrans-51.1-36.6-171.5-5594.3134.700113.4E278 K281 R285 Y286E278-E283 VanDerWaalsContact CA-CD 3.48Å; E278-E283 WeakPolarHBondContact CA-OE1 3.37Å; E278-E283 HydrophobicContact CB-CG 4.16Å; E278-E283 HydrophobicContact CG-CG 3.52Å; K281-E283 WeakPolarHBondContact CA-OE2 3.46Å; E283-R285 PolarHBondContact O-N 2.75Å; E283-Y286 WeakPolarHBondContact O-CB 3.49Å; E283-Y286 PolarHBondContact O-N 2.8Å; E283-Y286 VanDerWaalsContact O-N 3.11Å
284S97.6Very high95.8Very high94 Ų9454.6 Ų54.666%0.65727%0.271SS*.G310 helixtrans-60.2-11.6175.561.70000114.7F243 L282F243-S284 WeakPolarHBondContact CE1-O 3.24Å; L282-S284 PolarHBondContact O-N 3.01Å
285R98.1Very high95.6Very high73 Ų7350.6 Ų50.628%0.27526%0.258SS..G310 helixtrans-114.91.3-177.4-64.3177.6-169.6-178-1113.1S238 V239 G241 S242 F243 G244 Y277 L282 E283 L287S238-R285 WeakPolarHBondContact O-CD 3.13Å; S238-R285 PolarHBondContact O-NH1 3.29Å; V239-R285 PolarHBondContact O-NH1 3.04Å; G241-R285 VanDerWaalsContact CA-CZ 3.44Å; S242-R285 WeakPolarHBondContact O-CB 3.48Å; F243-R285 CarbonylContact C-O 3.58Å; F243-R285 VanDerWaalsContact CA-O 3.3Å; F243-R285 WeakPolarHBondContact CA-O 3.46Å; G244-R285 PolarHBondContact N-O 2.92Å; Y277-R285 HydrophobicContact CE1-CB 4.44Å; L282-R285 WeakPolarHBondContact O-CA 3.08Å; L282-R285 VanDerWaalsContact O-CB 3.31Å; L282-R285 WeakPolarHBondContact O-CB 3.42Å; L282-R285 PolarHBondContact O-N 2.77Å; E283-R285 PolarHBondContact O-N 2.75Å; R285-L287 PolarHBondContact O-N 2.83Å
286Y98.1Very high95.4Very high30 Ų3051 Ų5112%0.11826%0.261CS..EExtended strand (participates in β ladder)trans-79.5115.7179-177.8-109.8000110.5L273 R274 Y277 E283 D288 V289L273-Y286 HydrophobicContact CB-CE2 4.33Å; L273-Y286 HydrophobicContact CD2-CE2 3.95Å; L273-Y286 HydrophobicContact CG-CE2 3.86Å; R274-Y286 HydrophobicContact CB-CE1 4.23Å; R274-Y286 HydrophobicContact CG-CE1 4.43Å; R274-Y286 VanDerWaalsContact CZ-CE1 3.42Å; R274-Y286 VanDerWaalsContact NH2-CE1 3.26Å; Y277-Y286 HydrophobicContact CD1-CD2 4.1Å; Y277-Y286 HydrophobicContact CD1-CG 4.31Å; Y277-Y286 AromaticContact CD2-CD2 3.65Å; Y277-Y286 HydrophobicContact CD2-CD2 3.65Å; Y277-Y286 HydrophobicContact CD2-CE2 4.29Å; Y277-Y286 HydrophobicContact CE1-CD2 4.2Å; Y277-Y286 AromaticContact CE2-CD2 3.73Å; Y277-Y286 HydrophobicContact CE2-CD2 3.73Å; Y277-Y286 HydrophobicContact CE2-CE2 4.36Å; Y277-Y286 AromaticContact CG-CD2 3.83Å; Y277-Y286 HydrophobicContact CG-CD2 3.83Å; Y277-Y286 HydrophobicContact CG-CG 4.26Å; E283-Y286 WeakPolarHBondContact O-CB 3.49Å; E283-Y286 PolarHBondContact O-N 2.8Å; E283-Y286 VanDerWaalsContact O-N 3.11Å; Y286-D288 VanDerWaalsContact CE1-CA 3.47Å; Y286-D288 HydrophobicContact CE1-CB 3.96Å; Y286-D288 VanDerWaalsContact CE1-OD1 3.31Å; Y286-D288 WeakPolarHBondContact CE1-OD1 3.07Å; Y286-D288 VanDerWaalsContact CZ-CA 3.48Å; Y286-D288 PolarHBondContact OH-OD1 3.04Å; Y286-V289 HydrophobicContact CE2-CG1 4.46Å; Y286-V289 PolarHBondContact OH-N 3.36Å
287L96.1Very high95Very high60 Ų6051.3 Ų51.331%0.31426%0.263SS..EExtended strand (participates in β ladder)trans-81.9-21.5177.5-74.1176.5000114.5F222 F243 G244 R285 F309F222-L287 HydrophobicContact CD1-CD1 3.85Å; F222-L287 HydrophobicContact CD1-CD2 3.85Å; F222-L287 HydrophobicContact CD1-CG 4.46Å; F222-L287 HydrophobicContact CE1-CD2 3.82Å; F243-L287 HydrophobicContact CB-CD1 3.92Å; F243-L287 HydrophobicContact CB-CD2 3.7Å; F243-L287 HydrophobicContact CB-CG 3.68Å; F243-L287 HydrophobicContact CD1-CD2 4.42Å; F243-L287 HydrophobicContact CG-CD2 4.35Å; F243-L287 WeakPolarHBondContact O-CD1 3.39Å; G244-L287 PolarHBondContact O-N 2.85Å; R285-L287 PolarHBondContact O-N 2.83Å; L287-F309 HydrophobicContact CD1-CE1 4.5Å
288D95.4Very high94.4Very high72 Ų7256.3 Ų56.339%0.38528%0.282SS..EExtended strand (participates in β ladder)trans97.9165.9-168.2-131.1-20.7000116.5G245 G246 R274 Y286G245-D288 VanDerWaalsContact CA-O 3.3Å; G245-D288 WeakPolarHBondContact CA-O 3.39Å; G246-D288 PolarHBondContact N-O 3.48Å; R274-D288 IonicContact NH2-OD2 3.97Å; R274-D288 PolarHBondContact NH2-OD2 3.29Å; Y286-D288 VanDerWaalsContact CE1-CA 3.47Å; Y286-D288 HydrophobicContact CE1-CB 3.96Å; Y286-D288 VanDerWaalsContact CE1-OD1 3.31Å; Y286-D288 WeakPolarHBondContact CE1-OD1 3.07Å; Y286-D288 VanDerWaalsContact CZ-CA 3.48Å; Y286-D288 PolarHBondContact OH-OD1 3.04Å
289V95.7Very high93.7Very high23 Ų2358.8 Ų58.814%0.13929%0.291CS..EExtended strand (participates in β ladder)trans-115.1150-179.9-62.60000111.2I228 G246 L254 L273 Y286I228-V289 HydrophobicContact CD1-CG1 4.14Å; I228-V289 HydrophobicContact CG2-CG1 4.49Å; G246-V289 CarbonylContact O-C 3.48Å; G246-V289 VanDerWaalsContact O-CA 3.26Å; G246-V289 WeakPolarHBondContact O-CA 3.42Å; L254-V289 HydrophobicContact CB-CG2 4.3Å; L254-V289 HydrophobicContact CD1-CB 4.39Å; L254-V289 HydrophobicContact CD1-CG2 4.45Å; L254-V289 HydrophobicContact CD2-CB 4Å; L254-V289 HydrophobicContact CD2-CG1 4.14Å; L254-V289 HydrophobicContact CD2-CG2 4.27Å; L273-V289 HydrophobicContact CB-CG1 4.43Å; L273-V289 HydrophobicContact CD2-CG1 3.64Å; Y286-V289 HydrophobicContact CE2-CG1 4.46Å; Y286-V289 PolarHBondContact OH-N 3.36Å
290M93.3Very high92.9Very high81 Ų8163 Ų6340%0.39931%0.308SS..EExtended strand (participates in β ladder)trans-124.9132.6173.9-65.1-168.6-73.600111W224 G246 S247 D248 L254 A292 L301W224-M290 HydrophobicContact CH2-CE 3.38Å; W224-M290 HydrophobicContact CH2-CG 4.45Å; W224-M290 HydrophobicContact CZ2-CE 3.46Å; W224-M290 VanDerWaalsContact CZ2-CE 3.46Å; W224-M290 HydrophobicContact CZ3-CE 4.48Å; G246-M290 PolarHBondContact O-N 3.13Å; S247-M290 CarbonylContact C-O 3.42Å; S247-M290 WeakPolarHBondContact CA-O 3.35Å; S247-M290 VanDerWaalsContact CB-O 3.24Å; S247-M290 WeakPolarHBondContact CB-O 3.43Å; D248-M290 PolarHBondContact N-O 2.92Å; D248-M290 VanDerWaalsContact N-O 3.1Å; L254-M290 WeakPolarHBondContact CD1-O 3.14Å; M290-A292 PolarHBondContact O-N 3.2Å; M290-A292 VanDerWaalsContact O-N 3.17Å; M290-L301 HydrophobicContact CE-CD2 4.4Å
291V92.3Very high92.2Very high72 Ų7264.1 Ų64.144%0.43632%0.316SS..EExtended strand (participates in β ladder)trans-75.6105.7168.3-176.90000107.2D248 Y251 L254D248-V291 CarbonylContact O-C 3.55Å; D248-V291 VanDerWaalsContact O-CA 3.3Å; D248-V291 WeakPolarHBondContact O-CA 3.31Å; Y251-V291 HydrophobicContact CD2-CG2 3.85Å; L254-V291 HydrophobicContact CD1-CB 4.35Å; L254-V291 HydrophobicContact CD1-CG2 3.74Å
292A93Very high91.5Very high20 Ų2067.4 Ų67.417%0.16532%0.323CS..  trans-152147.7-177.200000112D248 I249 M290 L297D248-A292 CarbonylContact C-O 3.6Å; D248-A292 VanDerWaalsContact C-O 3.27Å; D248-A292 PolarHBondContact O-N 3.36Å; I249-A292 PolarHBondContact N-O 3.07Å; M290-A292 PolarHBondContact O-N 3.2Å; M290-A292 VanDerWaalsContact O-N 3.17Å; A292-L297 HydrophobicContact CB-CD1 3.91Å
293D93Very high90.7Very high15 Ų1569.1 Ų69.18%0.0833%0.332CS..  trans-90.4126.3168.4-179-1.7000109.5I249 V295 S296 L297 K326 V327I249-D293 HydrophobicContact CD1-CB 4.04Å; I249-D293 HydrophobicContact CG1-CB 4.24Å; D293-V295 PolarHBondContact O-N 3.24Å; D293-V295 VanDerWaalsContact O-N 3.13Å; D293-V295 WeakPolarHBondContact OD1-CG2 3.27Å; D293-V295 PolarHBondContact OD1-N 3.16Å; D293-S296 PolarHBondContact O-N 3.38Å; D293-L297 WeakPolarHBondContact O-CB 3.45Å; D293-L297 PolarHBondContact O-N 2.92Å; D293-K326 WeakPolarHBondContact OD2-CA 3.38Å; D293-K326 WeakPolarHBondContact OD2-CB 3.25Å; D293-V327 HydrophobicContact CB-CB 4.49Å; D293-V327 HydrophobicContact CB-CG2 3.95Å; D293-V327 PolarHBondContact OD2-N 3.46Å
294I93.5Very high89.8Confident4 Ų468.2 Ų68.22%0.02133%0.334CS..Hα-helixtrans-52.2-35.7177.4-164.1165.5000112.7P226 F227 S296 L297 I391 D394 L395 L398P226-I294 HydrophobicContact CB-CD1 3.98Å; P226-I294 HydrophobicContact CB-CG1 4.47Å; P226-I294 HydrophobicContact CG-CD1 4.17Å; F227-I294 HydrophobicContact CD2-CD1 4.47Å; F227-I294 HydrophobicContact CE1-CB 4.38Å; F227-I294 HydrophobicContact CE1-CD1 4.41Å; F227-I294 HydrophobicContact CE1-CG2 4.08Å; F227-I294 HydrophobicContact CE2-CD1 3.44Å; F227-I294 VanDerWaalsContact CE2-CD1 3.44Å; F227-I294 HydrophobicContact CZ-CB 4.07Å; F227-I294 HydrophobicContact CZ-CD1 3.39Å; F227-I294 HydrophobicContact CZ-CG1 4.33Å; F227-I294 HydrophobicContact CZ-CG2 3.79Å; I294-S296 PolarHBondContact O-N 3.25Å; I294-L297 PolarHBondContact O-N 3.47Å; I294-I391 HydrophobicContact CG2-CD1 4.03Å; I294-D394 HydrophobicContact CG2-CB 4.47Å; I294-L395 HydrophobicContact CD1-CB 3.88Å; I294-L395 HydrophobicContact CD1-CD1 4.06Å; I294-L398 HydrophobicContact CD1-CD2 4.23Å; I294-L398 HydrophobicContact CG1-CD2 3.92Å
295V92Very high88.9Confident23 Ų2373.4 Ų73.414%0.13935%0.347CS..Hα-helixtrans-61.8-31.2-177.9-178.80000111.1D293 K326 Y386D293-V295 PolarHBondContact O-N 3.24Å; D293-V295 VanDerWaalsContact O-N 3.13Å; D293-V295 WeakPolarHBondContact OD1-CG2 3.27Å; D293-V295 PolarHBondContact OD1-N 3.16Å; V295-K326 HydrophobicContact CG2-CB 3.91Å; V295-Y386 HydrophobicContact CG2-CD1 4.14Å; V295-Y386 HydrophobicContact CG2-CE1 3.67Å
296S88.9Confident88.2Confident30 Ų3071.9 Ų71.921%0.2135%0.354CS..Hα-helixtrans-107.6-19.6-178.3-60.10000113.4D293 I294 R298 K299 F300D293-S296 PolarHBondContact O-N 3.38Å; I294-S296 PolarHBondContact O-N 3.25Å; S296-R298 VanDerWaalsContact C-N 3.3Å; S296-R298 PolarHBondContact O-N 3.21Å; S296-K299 WeakPolarHBondContact O-CB 3.16Å; S296-K299 PolarHBondContact O-N 3.39Å; S296-F300 VanDerWaalsContact O-CD2 3.24Å; S296-F300 WeakPolarHBondContact O-CD2 3.16Å
297L88.7Confident87.9Confident7 Ų770.6 Ų70.64%0.03735%0.35CS..Hα-helixtrans-53.8-44.4-174.1-177.858.6000112.5A292 D293 I294 K299 F300 L301 L398A292-L297 HydrophobicContact CB-CD1 3.91Å; D293-L297 WeakPolarHBondContact O-CB 3.45Å; D293-L297 PolarHBondContact O-N 2.92Å; I294-L297 PolarHBondContact O-N 3.47Å; L297-K299 PolarHBondContact O-N 3.42Å; L297-K299 VanDerWaalsContact O-N 3.11Å; L297-F300 PolarHBondContact O-N 2.93Å; L297-L301 HydrophobicContact CD1-CD1 3.85Å; L297-L301 HydrophobicContact CD1-CD2 4.2Å; L297-L301 HydrophobicContact CD1-CG 3.91Å; L297-L301 HydrophobicContact CD2-CD1 4.4Å; L297-L301 HydrophobicContact CG-CD1 3.8Å; L297-L301 HydrophobicContact CG-CG 4.25Å; L297-L301 WeakPolarHBondContact O-CG 3.13Å; L297-L301 PolarHBondContact O-N 3.5Å; L297-L398 HydrophobicContact CD2-CD1 4.39Å; L297-L398 HydrophobicContact CD2-CD2 3.9Å; L297-L398 HydrophobicContact CG-CD1 4.28Å
298R84.2Confident87.7Confident105 Ų10571.1 Ų71.140%0.39635%0.352SS..Hα-helixtrans-58.2-25.9177.865.1173.3-72.2-100.1-3.1114.3S296 L398S296-R298 VanDerWaalsContact C-N 3.3Å; S296-R298 PolarHBondContact O-N 3.21Å; R298-L398 HydrophobicContact CB-CD1 3.86Å
299K83Confident87.8Confident147 Ų14768.3 Ų68.364%0.63934%0.337SS*.Hα-helixtrans-79.5-23.7-179.4-57.7176.2-176.8169.20112.4S296 L297S296-K299 WeakPolarHBondContact O-CB 3.16Å; S296-K299 PolarHBondContact O-N 3.39Å; L297-K299 PolarHBondContact O-N 3.42Å; L297-K299 VanDerWaalsContact O-N 3.11Å
300F78.3Confident87.9Confident166 Ų16669.6 Ų69.673%0.72834%0.343SS*.Hα-helixtrans-98.3-22.6-175.2-65.2-63.2000113.2S296 L297S296-F300 VanDerWaalsContact O-CD2 3.24Å; S296-F300 WeakPolarHBondContact O-CD2 3.16Å; L297-F300 PolarHBondContact O-N 2.93Å
301L82.5Confident88.1Confident49 Ų4965.7 Ų65.726%0.25732%0.324SS..  trans-80.9123.3179.4-63.2179.5000110.5M290 L297 I303 L402M290-L301 HydrophobicContact CE-CD2 4.4Å; L297-L301 HydrophobicContact CD1-CD1 3.85Å; L297-L301 HydrophobicContact CD1-CD2 4.2Å; L297-L301 HydrophobicContact CD1-CG 3.91Å; L297-L301 HydrophobicContact CD2-CD1 4.4Å; L297-L301 HydrophobicContact CG-CD1 3.8Å; L297-L301 HydrophobicContact CG-CG 4.25Å; L297-L301 WeakPolarHBondContact O-CG 3.13Å; L297-L301 PolarHBondContact O-N 3.5Å; L301-I303 HydrophobicContact CB-CD1 4.39Å; L301-I303 HydrophobicContact CB-CG1 3.93Å; L301-I303 PolarHBondContact O-N 2.89Å; L301-L402 HydrophobicContact CD1-CD1 4.05Å; L301-L402 HydrophobicContact CD1-CD2 3.92Å
302R82.1Confident88.4Confident247 Ų24762.3 Ų62.393%0.93230%0.303SS*.  trans-79.4103.2162.6-174.9179-177.7177.30.8107.9
303I80.8Confident88.7Confident46 Ų4661.4 Ų61.424%0.23630%0.296CS..PPolyproline II helixtrans-91.2121.7-174-55.5175.4000108.9L301 D401 L402L301-I303 HydrophobicContact CB-CD1 4.39Å; L301-I303 HydrophobicContact CB-CG1 3.93Å; L301-I303 PolarHBondContact O-N 2.89Å; I303-D401 HydrophobicContact CD1-CB 3.41Å; I303-D401 VanDerWaalsContact CD1-CB 3.41Å; I303-D401 WeakPolarHBondContact CG2-O 3.34Å; I303-L402 HydrophobicContact CD1-CD2 3.57Å; I303-L402 HydrophobicContact CD1-CG 4.15Å; I303-L402 HydrophobicContact CG1-CD2 3.69Å; I303-L402 HydrophobicContact CG2-CD2 4.18Å
304P80.3Confident88.9Confident69 Ų6960.7 Ų60.745%0.44829%0.292SS..PPolyproline II helixtrans-59.7152.9174.9-21.432.5000111.8G306 G307P304-G306 PolarHBondContact O-N 3.05Å; P304-G306 VanDerWaalsContact O-N 3.12Å; P304-G307 PolarHBondContact O-N 3.47Å
305H78.8Confident89.1Confident203 Ų20362.1 Ų62.194%0.9430%0.299SS*.THydrogen-bonded Turntrans-58.1120.8168.9-67.6-63.9000109.4
306G81.9Confident89.2Confident41 Ų4161.1 Ų61.142%0.42329%0.293SS..THydrogen-bonded Turntrans105.9-19.3178.500000115P304 Y404 P405P304-G306 PolarHBondContact O-N 3.05Å; P304-G306 VanDerWaalsContact O-N 3.12Å; G306-Y404 WeakPolarHBondContact O-CA 3.28Å; G306-Y404 WeakPolarHBondContact O-CD1 3.2Å; G306-P405 VanDerWaalsContact O-CD 3.28Å; G306-P405 WeakPolarHBondContact O-CD 3.41Å
307G91.3Very high89.4Confident2 Ų260.8 Ų60.82%0.02129%0.291CS..  trans114.4-176.7-179.600000113.6P304 Y404P304-G307 PolarHBondContact O-N 3.47Å; G307-Y404 VanDerWaalsContact O-CE1 3.32Å; G307-Y404 WeakPolarHBondContact O-CE1 3.31Å
308L93.3Very high89.4Confident71 Ų7161 Ų6137%0.37229%0.291SS..SBendtrans-132.5-33.9-176-174.862.2000112.8L402 Y404L308-L402 PolarHBondContact N-O 3.23Å; L308-Y404 WeakPolarHBondContact O-CE2 3.43Å
309F96.7Very high89.4Confident13 Ų1358 Ų586%0.05729%0.292CS..EExtended strand (participates in β ladder)trans-117.7145.3-173-59.3-64000112.2F222 W224 L287 L402 L403 Y404F222-F309 HydrophobicContact CB-CD1 3.79Å; F222-F309 HydrophobicContact CB-CE1 4.42Å; W224-F309 HydrophobicContact CB-CB 4.47Å; W224-F309 HydrophobicContact CB-CD1 3.86Å; W224-F309 HydrophobicContact CB-CD2 3.55Å; W224-F309 HydrophobicContact CB-CE1 3.94Å; W224-F309 HydrophobicContact CB-CE2 3.62Å; W224-F309 HydrophobicContact CB-CG 3.7Å; W224-F309 HydrophobicContact CB-CZ 3.82Å; W224-F309 HydrophobicContact CD2-CE1 4.2Å; W224-F309 AromaticContact CD2-CE2 3.77Å; W224-F309 HydrophobicContact CD2-CE2 3.77Å; W224-F309 AromaticContact CD2-CZ 3.54Å; W224-F309 HydrophobicContact CD2-CZ 3.54Å; W224-F309 AromaticContact CE3-CE1 3.74Å; W224-F309 HydrophobicContact CE3-CE1 3.74Å; W224-F309 HydrophobicContact CE3-CE2 4.09Å; W224-F309 AromaticContact CE3-CZ 3.35Å; W224-F309 HydrophobicContact CE3-CZ 3.35Å; W224-F309 AromaticContact CG-CD2 3.99Å; W224-F309 HydrophobicContact CG-CD2 3.99Å; W224-F309 HydrophobicContact CG-CE1 4.33Å; W224-F309 AromaticContact CG-CE2 3.57Å; W224-F309 HydrophobicContact CG-CE2 3.57Å; W224-F309 AromaticContact CG-CZ 3.77Å; W224-F309 HydrophobicContact CG-CZ 3.77Å; W224-F309 HydrophobicContact CZ3-CZ 4.15Å; L287-F309 HydrophobicContact CD1-CE1 4.5Å; F309-L402 HydrophobicContact CD2-CB 4.07Å; F309-L402 HydrophobicContact CD2-CD1 4.22Å; F309-L402 HydrophobicContact CE2-CD1 4.07Å; F309-L402 HydrophobicContact CE2-CD2 4.49Å; F309-L402 PolarHBondContact N-O 3Å; F309-L403 HydrophobicContact CB-CD2 4.49Å; F309-L403 CarbonylContact O-C 3.02Å; F309-L403 WeakPolarHBondContact O-CA 3.48Å; F309-L403 WeakPolarHBondContact O-CD2 3.35Å; F309-Y404 WeakPolarHBondContact O-CD2 3.33Å; F309-Y404 PolarHBondContact O-N 2.92Å
310D97.8Very high89.2Confident50 Ų5056.1 Ų56.127%0.26728%0.284SS..EExtended strand (participates in β ladder)trans-77.4-33173-60.8-89.9000111.6S221 F222 G407 R408S221-D310 WeakPolarHBondContact CA-OD2 3.42Å; S221-D310 WeakPolarHBondContact CB-OD2 3.42Å; F222-D310 PolarHBondContact N-OD2 2.85Å; F222-D310 PolarHBondContact O-N 2.84Å; D310-G407 WeakPolarHBondContact O-CA 3.42Å; D310-R408 PolarHBondContact O-N 3.03Å
311A98.6Very high89.1Confident0 Ų053.8 Ų53.80%027%0.271CS..EExtended strand (participates in β ladder)trans-145.9145.8179.400000112.4G215 F222 V223 W224 I313 R408G215-A311 VanDerWaalsContact O-CB 3.23Å; G215-A311 WeakPolarHBondContact O-CB 3.24Å; F222-A311 PolarHBondContact O-N 3.21Å; V223-A311 WeakPolarHBondContact CA-O 3.34Å; V223-A311 HydrophobicContact CG1-CB 4.5Å; V223-A311 HydrophobicContact CG2-CB 4.28Å; W224-A311 PolarHBondContact N-O 3.14Å; A311-I313 HydrophobicContact CB-CG2 4.39Å; A311-R408 CarbonylContact C-O 3.58Å; A311-R408 VanDerWaalsContact CA-O 3.31Å; A311-R408 WeakPolarHBondContact CA-O 3Å
312I98.6Very high89Confident1 Ų155.6 Ų55.61%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-117.4116.6166.8-68174000106.9W224 P226 L395 A399 L402 L403 R408 L409 V410W224-I312 HydrophobicContact CB-CG1 4.32Å; W224-I312 VanDerWaalsContact O-CA 3.25Å; W224-I312 WeakPolarHBondContact O-CA 3.39Å; P226-I312 HydrophobicContact CG-CG2 4.27Å; I312-L395 HydrophobicContact CG2-CD1 4.44Å; I312-A399 HydrophobicContact CD1-CB 3.73Å; I312-L402 HydrophobicContact CD1-CB 4.13Å; I312-L403 HydrophobicContact CB-CD2 4.36Å; I312-L403 HydrophobicContact CD1-CD1 4.35Å; I312-L403 HydrophobicContact CD1-CD2 4.23Å; I312-L403 HydrophobicContact CD1-CG 3.84Å; I312-L403 HydrophobicContact CG1-CD2 3.85Å; I312-L403 HydrophobicContact CG1-CG 4.02Å; I312-R408 PolarHBondContact N-O 3.03Å; I312-L409 HydrophobicContact CB-CD1 3.91Å; I312-L409 HydrophobicContact CG2-CD1 3.65Å; I312-L409 CarbonylContact O-C 3.43Å; I312-L409 WeakPolarHBondContact O-CA 3.32Å; I312-V410 PolarHBondContact O-N 2.82Å
313I98.6Very high88.9Confident0 Ų053.7 Ų53.70%027%0.271CS..EExtended strand (participates in β ladder)trans-124.3126.9-178.663.1174.2000108.8V223 W224 D225 T233 A237 A311 V410V223-I313 HydrophobicContact CG1-CD1 3.69Å; V223-I313 HydrophobicContact CG1-CG1 3.61Å; W224-I313 PolarHBondContact O-N 3.35Å; W224-I313 VanDerWaalsContact O-N 3.11Å; D225-I313 WeakPolarHBondContact CA-O 3.47Å; D225-I313 VanDerWaalsContact CB-O 3.22Å; D225-I313 WeakPolarHBondContact CB-O 3.48Å; T233-I313 VanDerWaalsContact O-CD1 3.3Å; T233-I313 WeakPolarHBondContact O-CD1 3.2Å; A237-I313 HydrophobicContact CB-CD1 3.97Å; A311-I313 HydrophobicContact CB-CG2 4.39Å; I313-V410 CarbonylContact C-O 3.56Å; I313-V410 VanDerWaalsContact CA-O 3.29Å; I313-V410 WeakPolarHBondContact CA-O 3.41Å; I313-V410 HydrophobicContact CB-CB 4.42Å; I313-V410 HydrophobicContact CG2-CB 3.92Å; I313-V410 HydrophobicContact CG2-CG2 4.15Å
314T98.1Very high89.2Confident0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-159.2159.6-170.3-169.40000115.3M211 D225 P226 F227 P316 L395 V410 F411 W412M211-T314 VanDerWaalsContact CE-O 3.24Å; M211-T314 WeakPolarHBondContact CE-O 3.35Å; D225-T314 WeakPolarHBondContact OD1-CB 3.48Å; D225-T314 PolarHBondContact OD1-OG1 3.28Å; P226-T314 HydrophobicContact CG-CG2 4.38Å; F227-T314 HydrophobicContact CD2-CG2 4.41Å; F227-T314 WeakPolarHBondContact CD2-OG1 3.21Å; T314-P316 HydrophobicContact CG2-CG 3.97Å; T314-L395 HydrophobicContact CG2-CD1 4.01Å; T314-L395 HydrophobicContact CG2-CD2 3.93Å; T314-V410 PolarHBondContact N-O 3.29Å; T314-F411 HydrophobicContact CG2-CB 3.72Å; T314-F411 VanDerWaalsContact O-CA 3.29Å; T314-F411 WeakPolarHBondContact O-CA 3.15Å; T314-W412 PolarHBondContact O-N 3.24Å
315D95.9Very high89.7Confident34 Ų3449.8 Ų49.818%0.18225%0.249CC..  trans-124.782.4172.8-168.216.1000110.5M203 Y318 W412 R448M203-D315 HydrophobicContact CE-CB 3.61Å; M203-D315 VanDerWaalsContact CE-CG 3.45Å; M203-D315 WeakPolarHBondContact CE-OD2 3.14Å; D315-Y318 WeakPolarHBondContact OD1-CE1 3.43Å; D315-Y318 PolarHBondContact OD1-OH 3.29Å; D315-Y318 PolarHBondContact OD2-OH 2.87Å; D315-W412 VanDerWaalsContact OD1-CB 3.25Å; D315-W412 WeakPolarHBondContact OD1-CB 3.45Å; D315-R448 IonicContact OD2-NH1 2.86Å; D315-R448 PolarHBondContact OD2-NH1 3.17Å
316P95.5Very high90.3Very high2 Ų241.1 Ų41.11%0.01321%0.208CC..  trans-63.5159.3-175.2-22.135.2000113F227 T314 Y318 I391 Y392 L395F227-P316 HydrophobicContact CD2-CB 3.79Å; F227-P316 HydrophobicContact CD2-CG 3.77Å; F227-P316 HydrophobicContact CE2-CB 3.71Å; F227-P316 HydrophobicContact CE2-CG 3.8Å; F227-P316 HydrophobicContact CG-CB 4.35Å; F227-P316 HydrophobicContact CZ-CB 4.22Å; T314-P316 HydrophobicContact CG2-CG 3.97Å; P316-Y318 WeakPolarHBondContact O-CD1 3.46Å; P316-Y318 WeakPolarHBondContact O-CE1 3.43Å; P316-Y318 PolarHBondContact O-N 3.11Å; P316-I391 HydrophobicContact CB-CG2 4.2Å; P316-Y392 HydrophobicContact CB-CE1 4.02Å; P316-Y392 HydrophobicContact CG-CE1 3.84Å; P316-L395 HydrophobicContact CG-CD2 3.8Å
317P92.6Very high90.7Very high24 Ų2441.2 Ų41.216%0.15620%0.201CC..  trans-66.8131.6-17926.7-35000112.7F227 E322 S324F227-P317 HydrophobicContact CE1-CG 4.41Å; P317-E322 HydrophobicContact CB-CB 3.98Å; P317-S324 PolarHBondContact O-OG 2.69Å; P317-S324 VanDerWaalsContact O-OG 3.07Å
318Y88.9Confident90.5Very high12 Ų1242 Ų425%0.04721%0.205CC..  trans-86.2-5.6-174.9-59.2-13000115.4D315 P316 F320 W412 P414 L442 R448D315-Y318 WeakPolarHBondContact OD1-CE1 3.43Å; D315-Y318 PolarHBondContact OD1-OH 3.29Å; D315-Y318 PolarHBondContact OD2-OH 2.87Å; P316-Y318 WeakPolarHBondContact O-CD1 3.46Å; P316-Y318 WeakPolarHBondContact O-CE1 3.43Å; P316-Y318 PolarHBondContact O-N 3.11Å; Y318-F320 HydrophobicContact CD2-CE1 4.03Å; Y318-F320 AromaticContact CD2-CE2 3.96Å; Y318-F320 HydrophobicContact CD2-CE2 3.96Å; Y318-F320 AromaticContact CD2-CZ 3.46Å; Y318-F320 HydrophobicContact CD2-CZ 3.46Å; Y318-F320 VanDerWaalsContact CD2-CZ 3.46Å; Y318-F320 HydrophobicContact CE2-CZ 4.4Å; Y318-F320 HydrophobicContact CG-CE1 4.21Å; Y318-F320 HydrophobicContact CG-CZ 4.1Å; Y318-F320 PolarHBondContact O-N 3.28Å; Y318-W412 HydrophobicContact CE1-CB 4.03Å; Y318-W412 VanDerWaalsContact OH-CB 3.25Å; Y318-W412 WeakPolarHBondContact OH-CB 3.24Å; Y318-P414 HydrophobicContact CD1-CB 4.1Å; Y318-P414 HydrophobicContact CD1-CG 3.81Å; Y318-P414 HydrophobicContact CD2-CB 4.2Å; Y318-P414 HydrophobicContact CG-CB 3.81Å; Y318-P414 HydrophobicContact CG-CG 3.87Å; Y318-L442 HydrophobicContact CE2-CD1 4.27Å; Y318-R448 HydrophobicContact CE2-CB 4.41Å; Y318-R448 WeakPolarHBondContact OH-CD 3.39Å; Y318-R448 PolarHBondContact OH-NH1 3Å
319G82.9Confident89.9Confident40 Ų4044.7 Ų44.741%0.41222%0.22SC..SBendtrans78.9-35.6-174.200000114.6E322 S324G319-E322 CarbonylContact C-O 3.59Å; G319-E322 WeakPolarHBondContact CA-O 3.37Å; G319-E322 PolarHBondContact N-O 3.4Å; G319-S324 PolarHBondContact N-OG 3.44Å
320F80.7Confident89Confident109 Ų10951.2 Ų51.248%0.47825%0.251SS..SBendtrans-93.3-17.5176.166.2-103.7000114.6Y318 P414 L442Y318-F320 HydrophobicContact CD2-CE1 4.03Å; Y318-F320 AromaticContact CD2-CE2 3.96Å; Y318-F320 HydrophobicContact CD2-CE2 3.96Å; Y318-F320 AromaticContact CD2-CZ 3.46Å; Y318-F320 HydrophobicContact CD2-CZ 3.46Å; Y318-F320 VanDerWaalsContact CD2-CZ 3.46Å; Y318-F320 HydrophobicContact CE2-CZ 4.4Å; Y318-F320 HydrophobicContact CG-CE1 4.21Å; Y318-F320 HydrophobicContact CG-CZ 4.1Å; Y318-F320 PolarHBondContact O-N 3.28Å; F320-P414 HydrophobicContact CE1-CB 3.59Å; F320-P414 HydrophobicContact CZ-CB 4.22Å; F320-L442 HydrophobicContact CE2-CD1 4.18Å; F320-L442 HydrophobicContact CZ-CD1 3.75Å
321R75.3Confident87.7Confident116 Ų11654.9 Ų54.944%0.43828%0.278SS..SBendtrans-106.2-61.2179-170.7-179.1-174.6-166.7-1.6110T201T201-R321 HydrophobicContact CG2-CG 3.94Å
322E79.5Confident86.2Confident88 Ų8858.2 Ų58.241%0.41130%0.298SS..SBendtrans-110.2144.8168-69.9-65.9172.100109.1T201 P317 G319 S324T201-E322 HydrophobicContact CG2-CG 3.87Å; T201-E322 WeakPolarHBondContact CG2-OE1 3.42Å; T201-E322 PolarHBondContact OG1-OE1 3.44Å; T201-E322 VanDerWaalsContact OG1-OE1 3.13Å; P317-E322 HydrophobicContact CB-CB 3.98Å; G319-E322 CarbonylContact C-O 3.59Å; G319-E322 WeakPolarHBondContact CA-O 3.37Å; G319-E322 PolarHBondContact N-O 3.4Å; E322-S324 PolarHBondContact O-N 2.88Å
323R81.6Confident84.4Confident207 Ų20765.9 Ų65.978%0.78133%0.333SS*.  trans-69.6124.2177.2-68-176.7-176.7-179.71.6109.5C325R323-C325 PolarHBondContact O-N 2.99Å
324S86.4Confident82.8Confident6 Ų673.8 Ų73.84%0.04236%0.363CS..  trans-71120.1167-52.80000108.5P317 G319 E322 Y386 V388P317-S324 PolarHBondContact O-OG 2.69Å; P317-S324 VanDerWaalsContact O-OG 3.07Å; G319-S324 PolarHBondContact N-OG 3.44Å; E322-S324 PolarHBondContact O-N 2.88Å; S324-Y386 WeakPolarHBondContact CB-O 3.15Å; S324-Y386 PolarHBondContact O-N 3.3Å; S324-V388 VanDerWaalsContact OG-CG2 3.31Å; S324-V388 WeakPolarHBondContact OG-CG2 3.33Å
325C90.7Very high81.3Confident26 Ų2683 Ų8318%0.17640%0.403CS..EExtended strand (participates in β ladder)trans-142160.4-176.759.60000111.2R323 K383 E384R323-C325 PolarHBondContact O-N 2.99Å; C325-K383 HydrophobicContact CB-CB 4.1Å; C325-E384 CarbonylContact C-O 3.54Å; C325-E384 WeakPolarHBondContact CA-O 3.34Å; C325-E384 WeakPolarHBondContact CB-O 3.4Å
326K92Very high80Confident22 Ų2283.9 Ų83.910%0.09641%0.411CS..EExtended strand (participates in β ladder)trans-128.3164.4168.371.2159.3-173150.60109.4D293 V295 S328 D329 K383 E384 Y386D293-K326 WeakPolarHBondContact OD2-CA 3.38Å; D293-K326 WeakPolarHBondContact OD2-CB 3.25Å; V295-K326 HydrophobicContact CG2-CB 3.91Å; K326-S328 PolarHBondContact O-N 2.82Å; K326-D329 IonicContact NZ-OD1 2.67Å; K326-D329 IonicContact NZ-OD2 3.48Å; K326-D329 PolarHBondContact NZ-OD2 3.08Å; K326-K383 CarbonylContact O-C 3.52Å; K326-K383 WeakPolarHBondContact O-CA 3.45Å; K326-E384 WeakPolarHBondContact CE-OE1 3.41Å; K326-E384 HydrophobicContact CG-CG 3.93Å; K326-E384 PolarHBondContact N-O 3.01Å; K326-E384 IonicContact NZ-OE1 4Å; K326-E384 PolarHBondContact NZ-OE1 3.48Å; K326-E384 PolarHBondContact O-N 3.13Å; K326-Y386 HydrophobicContact CB-CD1 4.41Å; K326-Y386 HydrophobicContact CB-CD2 4.23Å; K326-Y386 HydrophobicContact CB-CG 3.97Å; K326-Y386 HydrophobicContact CD-CD2 3.61Å; K326-Y386 HydrophobicContact CD-CE2 3.87Å; K326-Y386 HydrophobicContact CD-CG 4.23Å; K326-Y386 HydrophobicContact CG-CD2 3.79Å; K326-Y386 HydrophobicContact CG-CG 3.97Å
327V89.7Confident79.2Confident43 Ų4388 Ų8826%0.26144%0.436SS..EExtended strand (participates in β ladder)trans-64.6131.2167172.20000108.7I249 D293 P381I249-V327 HydrophobicContact CD1-CG2 4.05Å; I249-V327 HydrophobicContact CG1-CG2 4.27Å; D293-V327 HydrophobicContact CB-CB 4.49Å; D293-V327 HydrophobicContact CB-CG2 3.95Å; D293-V327 PolarHBondContact OD2-N 3.46Å; V327-P381 HydrophobicContact CG1-CB 3.48Å; V327-P381 VanDerWaalsContact CG1-CB 3.48Å; V327-P381 HydrophobicContact CG1-CG 4.32Å; V327-P381 HydrophobicContact CG2-CB 4.48Å
328S86.3Confident78.7Confident17 Ų1791.5 Ų91.512%0.11945%0.453CS..  trans-64.7133.7175176.50000110.1K326 Q330 H382K326-S328 PolarHBondContact O-N 2.82Å; S328-Q330 PolarHBondContact O-N 3.09Å; S328-Q330 PolarHBondContact OG-N 2.81Å; S328-Q330 PolarHBondContact OG-O 3.36Å; S328-H382 WeakPolarHBondContact CB-O 3.22Å; S328-H382 PolarHBondContact N-O 2.89Å
329D82.3Confident78.4Confident129 Ų12991.7 Ų91.769%0.6946%0.456SS*.SBendtrans-71.2-22.8175.2-59.7-48000111.7K326K326-D329 IonicContact NZ-OD1 2.67Å; K326-D329 IonicContact NZ-OD2 3.48Å; K326-D329 PolarHBondContact NZ-OD2 3.08Å
330Q77.5Confident78.7Confident150 Ų15091.4 Ų91.470%0.70145%0.446SS*.SBendtrans-105.4133.2178.1-66.3-172.9-6.800110.8S328 V332S328-Q330 PolarHBondContact O-N 3.09Å; S328-Q330 PolarHBondContact OG-N 2.81Å; S328-Q330 PolarHBondContact OG-O 3.36Å; Q330-V332 PolarHBondContact O-N 2.95Å; Q330-V332 VanDerWaalsContact O-N 3.15Å
331P69.9Low78.8Confident127 Ų12792.1 Ų92.183%0.82545%0.449SS*.  trans-64.9115.2167.126.4-30.2000108.6E333P331-E333 PolarHBondContact O-N 2.87Å
332V67.3Low79.1Confident69 Ų6992.5 Ų92.542%0.41846%0.455SS..  trans-87.399.6171.5-1780000107.6Q330 R334Q330-V332 PolarHBondContact O-N 2.95Å; Q330-V332 VanDerWaalsContact O-N 3.15Å; V332-R334 HydrophobicContact CG1-CG 4.2Å; V332-R334 PolarHBondContact O-N 3.17Å
333E61Low79.1Confident162 Ų16293.8 Ų93.876%0.75746%0.456SS*.  trans-72.895.1171.8-157.2171.7-149.800108.4P331P331-E333 PolarHBondContact O-N 2.87Å
334R64Low79Confident167 Ų16785.2 Ų85.263%0.6343%0.426SS*.  trans-72.1153170.2-69.2-175.5177-172.3-2.3108.6V332 H382V332-R334 HydrophobicContact CG1-CG 4.2Å; V332-R334 PolarHBondContact O-N 3.17Å; R334-H382 PolarHBondContact NH2-NE2 3.22Å
335K68.4Low78.7Confident192 Ų19286.7 Ų86.784%0.83544%0.438SS*.SBendtrans-45.4134.6167-71.2-174179.7-177.10108.4T337K335-T337 PolarHBondContact O-N 3.3Å
336P67.8Low77.9Confident54 Ų5488.1 Ų88.135%0.35144%0.442SS..PPolyproline II helixtrans-47.1127.2-179.2-2831.9000110.6L338 L372P336-L338 PolarHBondContact O-N 3.27Å; P336-L372 HydrophobicContact CB-CD1 3.25Å; P336-L372 HydrophobicContact CB-CD2 4.05Å; P336-L372 HydrophobicContact CB-CG 3.59Å; P336-L372 HydrophobicContact CG-CD1 4.01Å; P336-L372 HydrophobicContact CG-CD2 4.37Å; P336-L372 HydrophobicContact CG-CG 4.41Å
337T77.6Confident76.9Confident87 Ų8790.6 Ų90.653%0.53446%0.456SS..PPolyproline II helixtrans-73.2129.4-179.2-570000108.1K335 V339 V373K335-T337 PolarHBondContact O-N 3.3Å; T337-V339 HydrophobicContact CG2-CG1 3.83Å; T337-V373 WeakPolarHBondContact O-CG2 3.18Å; T337-V373 PolarHBondContact O-N 2.95Å; T337-V373 VanDerWaalsContact O-N 3.12Å
338L84Confident76.2Confident98 Ų9892.8 Ų92.851%0.51346%0.464SS..EExtended strand (participates in β ladder)trans-88.4121.2172.7-74.7178.6000107.9P336 L370 V371 L372P336-L338 PolarHBondContact O-N 3.27Å; L338-L370 HydrophobicContact CB-CB 3.87Å; L338-L370 HydrophobicContact CB-CD1 4.09Å; L338-V371 WeakPolarHBondContact CA-O 3.38Å; L338-L372 HydrophobicContact CD2-CD1 4.05Å
339V82.5Confident75.3Confident17 Ų1794.9 Ų94.910%0.10349%0.489CS..EExtended strand (participates in β ladder)trans-129.4157.9-179.7-58.40000110.2T337 R343 L344 L370 V371 V373T337-V339 HydrophobicContact CG2-CG1 3.83Å; V339-R343 HydrophobicContact CB-CB 4Å; V339-R343 HydrophobicContact CB-CG 3.89Å; V339-R343 HydrophobicContact CG1-CG 4.17Å; V339-R343 HydrophobicContact CG2-CB 4.36Å; V339-R343 HydrophobicContact CG2-CG 4.4Å; V339-L344 HydrophobicContact CG2-CB 3.91Å; V339-L370 CarbonylContact O-C 3.52Å; V339-L370 VanDerWaalsContact O-CA 3.31Å; V339-L370 WeakPolarHBondContact O-CA 3.39Å; V339-V371 HydrophobicContact CG2-CG2 4.49Å; V339-V371 PolarHBondContact N-O 2.84Å; V339-V371 WeakPolarHBondContact O-CG2 3.17Å; V339-V371 PolarHBondContact O-N 3.33Å; V339-V373 HydrophobicContact CB-CG2 4.24Å; V339-V373 HydrophobicContact CG1-CG2 3.71Å; V339-V373 HydrophobicContact CG2-CG2 3.5Å; V339-V373 VanDerWaalsContact CG2-CG2 3.5Å
340T87.4Confident74.4Confident34 Ų3493.7 Ų93.721%0.20948%0.482CS..EExtended strand (participates in β ladder)trans-63.3152.7172.963.60000110.6H342 R343 L344 E368 L370T340-H342 PolarHBondContact O-N 3.38Å; T340-R343 PolarHBondContact O-N 2.57Å; T340-R343 WeakPolarHBondContact OG1-CB 3.27Å; T340-R343 PolarHBondContact OG1-N 3.2Å; T340-R343 VanDerWaalsContact OG1-N 3.13Å; T340-L344 PolarHBondContact O-N 3.36Å; T340-E368 HydrophobicContact CG2-CB 4.06Å; T340-E368 HydrophobicContact CG2-CG 4.34Å; T340-L370 HydrophobicContact CG2-CD2 3.97Å
341K83.4Confident73.1Confident123 Ų12391 Ų9154%0.53547%0.471SS..Hα-helixtrans-52.7-39173.7-69.6179.2-177.5169.20112.2L344 A345 V371K341-L344 PolarHBondContact O-N 2.9Å; K341-A345 PolarHBondContact O-N 3.38Å; K341-V371 HydrophobicContact CG-CG1 3.79Å; K341-V371 HydrophobicContact CG-CG2 4.19Å
342H82.1Confident71.7Confident125 Ų12593.7 Ų93.758%0.57947%0.472SS*.Hα-helixtrans-59.5-47.9174.1-179.6-77.5000111.9T340 L344 A345 E346T340-H342 PolarHBondContact O-N 3.38Å; H342-L344 VanDerWaalsContact C-N 3.32Å; H342-L344 PolarHBondContact O-N 2.92Å; H342-A345 PolarHBondContact O-N 2.97Å; H342-E346 PolarHBondContact O-N 3.33Å
343R79.2Confident70.4Confident115 Ų11598.4 Ų98.443%0.43449%0.493SS..Hα-helixtrans-65.3-35.3178-178.359.7177.5177.94.7112.2V339 T340 E346 I347V339-R343 HydrophobicContact CB-CB 4Å; V339-R343 HydrophobicContact CB-CG 3.89Å; V339-R343 HydrophobicContact CG1-CG 4.17Å; V339-R343 HydrophobicContact CG2-CB 4.36Å; V339-R343 HydrophobicContact CG2-CG 4.4Å; T340-R343 PolarHBondContact O-N 2.57Å; T340-R343 WeakPolarHBondContact OG1-CB 3.27Å; T340-R343 PolarHBondContact OG1-N 3.2Å; T340-R343 VanDerWaalsContact OG1-N 3.13Å; R343-E346 WeakPolarHBondContact CD-OE2 3.31Å; R343-E346 IonicContact CZ-OE2 3.7Å; R343-E346 IonicContact NE-OE2 3.77Å; R343-E346 IonicContact NH1-OE1 2.88Å; R343-E346 PolarHBondContact NH1-OE1 2.86Å; R343-E346 IonicContact NH1-OE2 2.72Å; R343-E346 PolarHBondContact NH1-OE2 3.1Å; R343-E346 WeakPolarHBondContact O-CB 3.48Å; R343-E346 PolarHBondContact O-N 2.89Å; R343-I347 HydrophobicContact CG-CD1 4.12Å; R343-I347 VanDerWaalsContact O-CG1 3.25Å; R343-I347 WeakPolarHBondContact O-CG1 3.47Å; R343-I347 PolarHBondContact O-N 2.78Å
344L80.6Confident69.2Low27 Ų2793.3 Ų93.314%0.14148%0.484CS..Hα-helixtrans-64.3-45.5174.6-175.162.3000111.6V339 T340 K341 H342 E346 I347 M348 V371 V373 L377V339-L344 HydrophobicContact CG2-CB 3.91Å; T340-L344 PolarHBondContact O-N 3.36Å; K341-L344 PolarHBondContact O-N 2.9Å; H342-L344 VanDerWaalsContact C-N 3.32Å; H342-L344 PolarHBondContact O-N 2.92Å; L344-E346 VanDerWaalsContact C-N 3.28Å; L344-E346 PolarHBondContact O-N 3.29Å; L344-I347 PolarHBondContact O-N 2.82Å; L344-M348 HydrophobicContact CD1-CG 4.47Å; L344-M348 HydrophobicContact CD1-SD 4.45Å; L344-M348 HydrophobicContact CG-SD 4.19Å; L344-M348 WeakPolarHBondContact O-CG 3.33Å; L344-M348 PolarHBondContact O-N 2.69Å; L344-V371 HydrophobicContact CB-CG2 4.09Å; L344-V371 HydrophobicContact CD2-CG2 3.7Å; L344-V373 HydrophobicContact CD1-CG1 4.4Å; L344-V373 HydrophobicContact CD1-CG2 4.36Å; L344-L377 HydrophobicContact CD1-CD1 3.98Å
345A79.8Confident68.1Low36 Ų3692.6 Ų92.630%0.29849%0.493SS..Hα-helixtrans-60.1-37.7175.900000112.4K341 H342 G349 N350K341-A345 PolarHBondContact O-N 3.38Å; H342-A345 PolarHBondContact O-N 2.97Å; A345-G349 PolarHBondContact O-N 3.23Å; A345-N350 PolarHBondContact O-N 2.98Å
346E73.6Confident66.6Low56 Ų5691.5 Ų91.526%0.26249%0.491SS..Hα-helixtrans-63.8-46.6173.5-169.5-164.2160.400112.2K267 H342 R343 L344 M348 G349 M351K267-E346 IonicContact NZ-OE1 2.59Å; K267-E346 PolarHBondContact NZ-OE1 3.03Å; H342-E346 PolarHBondContact O-N 3.33Å; R343-E346 WeakPolarHBondContact CD-OE2 3.31Å; R343-E346 IonicContact CZ-OE2 3.7Å; R343-E346 IonicContact NE-OE2 3.77Å; R343-E346 IonicContact NH1-OE1 2.88Å; R343-E346 PolarHBondContact NH1-OE1 2.86Å; R343-E346 IonicContact NH1-OE2 2.72Å; R343-E346 PolarHBondContact NH1-OE2 3.1Å; R343-E346 WeakPolarHBondContact O-CB 3.48Å; R343-E346 PolarHBondContact O-N 2.89Å; L344-E346 VanDerWaalsContact C-N 3.28Å; L344-E346 PolarHBondContact O-N 3.29Å; E346-M348 VanDerWaalsContact C-N 3.31Å; E346-M348 PolarHBondContact O-N 3.3Å; E346-G349 PolarHBondContact O-N 3.41Å; E346-G349 VanDerWaalsContact O-N 3.15Å; E346-M351 HydrophobicContact CB-SD 4.13Å; E346-M351 HydrophobicContact CG-SD 4.36Å
347I71.1Confident65Low75 Ų7596.2 Ų96.239%0.38551%0.513SS..Hα-helixtrans-61.5-40.6178.2-67.4163.8000110.9R343 L344 G349 V373 L377R343-I347 HydrophobicContact CG-CD1 4.12Å; R343-I347 VanDerWaalsContact O-CG1 3.25Å; R343-I347 WeakPolarHBondContact O-CG1 3.47Å; R343-I347 PolarHBondContact O-N 2.78Å; L344-I347 PolarHBondContact O-N 2.82Å; I347-G349 PolarHBondContact O-N 2.71Å; I347-V373 HydrophobicContact CD1-CG2 4.49Å; I347-L377 HydrophobicContact CG2-CD1 3.76Å
348M74.1Confident63Low88 Ų88103.5 Ų103.543%0.43353%0.53SS..THydrogen-bonded Turntrans-74.1-11178.7-67.1-177.473.200113.6L344 E346 N350 L377L344-M348 HydrophobicContact CD1-CG 4.47Å; L344-M348 HydrophobicContact CD1-SD 4.45Å; L344-M348 HydrophobicContact CG-SD 4.19Å; L344-M348 WeakPolarHBondContact O-CG 3.33Å; L344-M348 PolarHBondContact O-N 2.69Å; E346-M348 VanDerWaalsContact C-N 3.31Å; E346-M348 PolarHBondContact O-N 3.3Å; M348-N350 VanDerWaalsContact C-N 3.26Å; M348-N350 HydrophobicContact CB-CB 4.46Å; M348-N350 PolarHBondContact O-N 3.29Å; M348-L377 HydrophobicContact CE-CD2 4.42Å; M348-L377 HydrophobicContact CG-CD1 4.21Å; M348-L377 HydrophobicContact CG-CD2 3.75Å; M348-L377 HydrophobicContact SD-CD2 4.46Å
349G68.1Low60.6Low61 Ų61106 Ų10663%0.62955%0.545SS*.THydrogen-bonded Turntrans71.317-174.500000114.3A345 E346 I347 M351A345-G349 PolarHBondContact O-N 3.23Å; E346-G349 PolarHBondContact O-N 3.41Å; E346-G349 VanDerWaalsContact O-N 3.15Å; I347-G349 PolarHBondContact O-N 2.71Å; G349-M351 VanDerWaalsContact C-N 3.29Å; G349-M351 PolarHBondContact O-N 3.33Å
350N64.1Low58.3Low104 Ų104108.7 Ų108.756%0.55658%0.575SS**  trans-86.47.3-175-73-9.2000114A345 M348 H352A345-N350 PolarHBondContact O-N 2.98Å; M348-N350 VanDerWaalsContact C-N 3.26Å; M348-N350 HydrophobicContact CB-CB 4.46Å; M348-N350 PolarHBondContact O-N 3.29Å; N350-H352 PolarHBondContact O-N 3.37Å; N350-H352 VanDerWaalsContact O-N 3.11Å
351M49.7Very low55.8Low94 Ų94114.4 Ų114.446%0.46360%0.604SS.*  trans-74.2102.1174.5-81.1176.338.400110.5E346 G349 I353E346-M351 HydrophobicContact CB-SD 4.13Å; E346-M351 HydrophobicContact CG-SD 4.36Å; G349-M351 VanDerWaalsContact C-N 3.29Å; G349-M351 PolarHBondContact O-N 3.33Å; M351-I353 PolarHBondContact O-N 3.15Å
352H40.8Very low53.7Low183 Ų183118.1 Ų118.185%0.84762%0.621SS**  trans-61.4113.2152.5-75.169.1000106.9N350 G354N350-H352 PolarHBondContact O-N 3.37Å; N350-H352 VanDerWaalsContact O-N 3.11Å; H352-G354 PolarHBondContact O-N 3.21Å
353I39.9Very low51.6Low169 Ų169119 Ų11987%0.86763%0.63SS**  trans-72.772.9165.8-56.4175.7000106M351M351-I353 PolarHBondContact O-N 3.15Å
354G36.2Very low49.7Very low54 Ų54122 Ų12256%0.55765%0.649SS**  trans-117.7102.8172.700000107H352 E356H352-G354 PolarHBondContact O-N 3.21Å; G354-E356 PolarHBondContact O-N 3.12Å
355D40.9Very low47.9Very low153 Ų153127.5 Ų127.582%0.81868%0.683SS**  trans-70.667.4172.4-152.18.2000108.5
356E35.5Very low46.5Very low169 Ų169132 Ų13279%0.7970%0.702SS**  trans-136.476.2177.5-71.5-167178.200109.1G354G354-E356 PolarHBondContact O-N 3.12Å
357N34.8Very low45.5Very low153 Ų153131.8 Ų131.882%0.81872%0.715SS**  trans174.171.9138.4-86.9-28.4000110.2N359N357-N359 PolarHBondContact O-N 3.05Å
358R35.5Very low45Very low239 Ų239135.8 Ų135.890%0.90273%0.732SS**  trans-84.724.2160.5-103.5-174.7-178.7-175.73.9113
359N33.6Very low45.3Very low152 Ų152134.8 Ų134.881%0.81373%0.734SS**  trans-12594174.4-81.1-11.5000109.6N357N357-N359 PolarHBondContact O-N 3.05Å
360G34.4Very low46.1Very low72 Ų72136.3 Ų136.374%0.74273%0.727SS**SBendtrans169.2108.317300000112.2
361N34Very low47Very low154 Ų154133.2 Ų133.282%0.82471%0.712SS**  trans5.3120.9167.1-65.4-16.6000118.6D363N361-D363 PolarHBondContact O-N 2.9Å; N361-D363 VanDerWaalsContact O-N 3.12Å
362K39.9Very low48.6Very low202 Ų202133.5 Ų133.588%0.87872%0.715SS**SBendtrans-71.79.6173.3-88-176.5172.1-179.70115.2
363D37Very low50.3Low144 Ų144126.1 Ų126.177%0.7768%0.682SS**  trans-115.553.9-169.6-62.2-34.7000111.6N361N361-D363 PolarHBondContact O-N 2.9Å; N361-D363 VanDerWaalsContact O-N 3.12Å
364E40.5Very low51.8Low178 Ų178120.5 Ų120.583%0.83266%0.657SS**  trans-156.288.9158.6-108.9170.5-153.500106.1D366E364-D366 PolarHBondContact O-N 3.46Å
365V42.1Very low53.3Low142 Ų142123.8 Ų123.886%0.86166%0.657SS**  trans-69.279.7164.3-1740000105G367V365-G367 PolarHBondContact O-N 3.31Å
366D50.6Low54.5Low129 Ų129123.1 Ų123.169%0.6965%0.654SS**  trans-57.196171.4-165.818.2000105.4E364 E368E364-D366 PolarHBondContact O-N 3.46Å; D366-E368 PolarHBondContact O-N 3.22Å
367G52.1Low56Low52 Ų52116.3 Ų116.354%0.53662%0.623SS.*  trans-53.2120-171.800000107.3V365 S369V365-G367 PolarHBondContact O-N 3.31Å; G367-S369 WeakPolarHBondContact O-CA 3.5Å; G367-S369 PolarHBondContact O-N 3.4Å
368E61Low57.2Low160 Ų160114.5 Ų114.575%0.74862%0.619SS**  trans-44.483.6-169.1-69.4-177154.300112.3T340 D366 L370T340-E368 HydrophobicContact CG2-CB 4.06Å; T340-E368 HydrophobicContact CG2-CG 4.34Å; D366-E368 PolarHBondContact O-N 3.22Å; E368-L370 PolarHBondContact O-N 2.84Å
369S80.7Confident58.6Low67 Ų67109.7 Ų109.747%0.46961%0.607SS.*  trans-72110.8-174.4-177.10000106.4G367 V371G367-S369 WeakPolarHBondContact O-CA 3.5Å; G367-S369 PolarHBondContact O-N 3.4Å; S369-V371 PolarHBondContact O-N 3.48Å
370L84.6Confident60.2Low93 Ų93107.9 Ų107.949%0.48759%0.592SS.*EExtended strand (participates in β ladder)trans-75125.2178.6-58.7174.4000109.1L338 V339 T340 E368L338-L370 HydrophobicContact CB-CB 3.87Å; L338-L370 HydrophobicContact CB-CD1 4.09Å; V339-L370 CarbonylContact O-C 3.52Å; V339-L370 VanDerWaalsContact O-CA 3.31Å; V339-L370 WeakPolarHBondContact O-CA 3.39Å; T340-L370 HydrophobicContact CG2-CD2 3.97Å; E368-L370 PolarHBondContact O-N 2.84Å
371V84.2Confident62.2Low39 Ų39108.1 Ų108.124%0.23658%0.58CS.*EExtended strand (participates in β ladder)trans-104.6152.4176-68.60000110.2L338 V339 K341 L344 S369L338-V371 WeakPolarHBondContact CA-O 3.38Å; V339-V371 HydrophobicContact CG2-CG2 4.49Å; V339-V371 PolarHBondContact N-O 2.84Å; V339-V371 WeakPolarHBondContact O-CG2 3.17Å; V339-V371 PolarHBondContact O-N 3.33Å; K341-V371 HydrophobicContact CG-CG1 3.79Å; K341-V371 HydrophobicContact CG-CG2 4.19Å; L344-V371 HydrophobicContact CB-CG2 4.09Å; L344-V371 HydrophobicContact CD2-CG2 3.7Å; S369-V371 PolarHBondContact O-N 3.48Å
372L81.9Confident64.5Low100 Ų100103.9 Ų103.952%0.52456%0.555SS.*EExtended strand (participates in β ladder)trans-67.7131.7173.8-150.981.4000109.6P336 L338 P374P336-L372 HydrophobicContact CB-CD1 3.25Å; P336-L372 HydrophobicContact CB-CD2 4.05Å; P336-L372 HydrophobicContact CB-CG 3.59Å; P336-L372 HydrophobicContact CG-CD1 4.01Å; P336-L372 HydrophobicContact CG-CD2 4.37Å; P336-L372 HydrophobicContact CG-CG 4.41Å; L338-L372 HydrophobicContact CD2-CD1 4.05Å; L372-P374 WeakPolarHBondContact O-CD 3.38Å
373V76.3Confident66.8Low27 Ų2797.6 Ų97.616%0.16453%0.528CS..PPolyproline II helixtrans-71.6120.8166-178.90000108.7T337 V339 L344 I347 L377T337-V373 WeakPolarHBondContact O-CG2 3.18Å; T337-V373 PolarHBondContact O-N 2.95Å; T337-V373 VanDerWaalsContact O-N 3.12Å; V339-V373 HydrophobicContact CB-CG2 4.24Å; V339-V373 HydrophobicContact CG1-CG2 3.71Å; V339-V373 HydrophobicContact CG2-CG2 3.5Å; V339-V373 VanDerWaalsContact CG2-CG2 3.5Å; L344-V373 HydrophobicContact CD1-CG1 4.4Å; L344-V373 HydrophobicContact CD1-CG2 4.36Å; I347-V373 HydrophobicContact CD1-CG2 4.49Å; V373-L377 HydrophobicContact CG1-CD1 3.59Å
374P72.8Confident69.3Low51 Ų5194.4 Ų94.433%0.33151%0.508SS..PPolyproline II helixtrans-58.4142174.8-23.234.4000112.2L372 D376 L377L372-P374 WeakPolarHBondContact O-CD 3.38Å; P374-D376 VanDerWaalsContact C-N 3.26Å; P374-D376 WeakPolarHBondContact CB-OD1 3.45Å; P374-D376 PolarHBondContact O-N 3.03Å; P374-L377 HydrophobicContact CB-CG 4.37Å
375H66.6Low71.6Confident123 Ų12391.7 Ų91.757%0.56950%0.504SS*.THydrogen-bonded Turntrans-73.2-16-178-72.7-24.4000114.1L377H375-L377 VanDerWaalsContact C-N 3.34Å
376D67.2Low74.1Confident139 Ų13986.2 Ų86.274%0.74347%0.468SS*.THydrogen-bonded Turntrans-85.6-1.5-179.960.4-42.1000113.9P374P374-D376 VanDerWaalsContact C-N 3.26Å; P374-D376 WeakPolarHBondContact CB-OD1 3.45Å; P374-D376 PolarHBondContact O-N 3.03Å
377L65.2Low76.1Confident27 Ų2782.9 Ų82.914%0.14145%0.453CS..SBendtrans-66.7151.2171.7-64.8-174.8000111.2L344 I347 M348 V373 P374 H375 H379L344-L377 HydrophobicContact CD1-CD1 3.98Å; I347-L377 HydrophobicContact CG2-CD1 3.76Å; M348-L377 HydrophobicContact CE-CD2 4.42Å; M348-L377 HydrophobicContact CG-CD1 4.21Å; M348-L377 HydrophobicContact CG-CD2 3.75Å; M348-L377 HydrophobicContact SD-CD2 4.46Å; V373-L377 HydrophobicContact CG1-CD1 3.59Å; P374-L377 HydrophobicContact CB-CG 4.37Å; H375-L377 VanDerWaalsContact C-N 3.34Å; L377-H379 PolarHBondContact O-N 3.4Å
378P59.8Low78Confident115 Ų11582.4 Ų82.475%0.74744%0.44SS*.  trans-49.4109.4172.4-26.233.8000111
379H65.3Low79.5Confident137 Ų13780.4 Ų80.463%0.63443%0.434SS*.PPolyproline II helixtrans-102.7117.1-176.9176.7-75.9000109.8L377L377-H379 PolarHBondContact O-N 3.4Å
380F68.2Low80.2Confident115 Ų11582 Ų8250%0.50443%0.433SS..PPolyproline II helixtrans-75.7126.8172.3-63.2-75.4000110.1Y251 H382Y251-F380 AromaticContact CD1-CE1 3.94Å; Y251-F380 HydrophobicContact CD1-CE1 3.94Å; Y251-F380 HydrophobicContact CD1-CE2 4.15Å; Y251-F380 AromaticContact CD1-CZ 3.62Å; Y251-F380 HydrophobicContact CD1-CZ 3.62Å; Y251-F380 HydrophobicContact CD2-CD1 4.32Å; Y251-F380 AromaticContact CD2-CE1 3.42Å; Y251-F380 HydrophobicContact CD2-CE1 3.42Å; Y251-F380 VanDerWaalsContact CD2-CE1 3.42Å; Y251-F380 AromaticContact CD2-CZ 3.82Å; Y251-F380 HydrophobicContact CD2-CZ 3.82Å; Y251-F380 HydrophobicContact CE1-CE1 4.16Å; Y251-F380 HydrophobicContact CE1-CE2 4.18Å; Y251-F380 AromaticContact CE1-CZ 3.53Å; Y251-F380 HydrophobicContact CE1-CZ 3.53Å; Y251-F380 AromaticContact CE2-CE1 3.73Å; Y251-F380 HydrophobicContact CE2-CE1 3.73Å; Y251-F380 AromaticContact CE2-CZ 3.77Å; Y251-F380 HydrophobicContact CE2-CZ 3.77Å; Y251-F380 HydrophobicContact CG-CD1 4.23Å; Y251-F380 AromaticContact CG-CE1 3.57Å; Y251-F380 HydrophobicContact CG-CE1 3.57Å; Y251-F380 AromaticContact CG-CZ 3.78Å; Y251-F380 HydrophobicContact CG-CZ 3.78Å; Y251-F380 AromaticContact CZ-CZ 3.66Å; F380-H382 PolarHBondContact O-N 2.82Å
381P75.8Confident80.6Confident77 Ų7777.6 Ų77.650%0.541%0.41SS..PPolyproline II helixtrans-50.7139.3-179.8-28.435.1000112.5V327V327-P381 HydrophobicContact CG1-CB 3.48Å; V327-P381 VanDerWaalsContact CG1-CB 3.48Å; V327-P381 HydrophobicContact CG1-CG 4.32Å; V327-P381 HydrophobicContact CG2-CB 4.48Å
382H81.8Confident81.2Confident64 Ų6476.1 Ų76.130%0.29640%0.4SS..PPolyproline II helixtrans-64146.7177.7179-96.5000110.2S328 R334 F380S328-H382 WeakPolarHBondContact CB-O 3.22Å; S328-H382 PolarHBondContact N-O 2.89Å; R334-H382 PolarHBondContact NH2-NE2 3.22Å; F380-H382 PolarHBondContact O-N 2.82Å
383K88.3Confident81.8Confident71 Ų7177.1 Ų77.131%0.30940%0.4SS..EExtended strand (participates in β ladder)trans-106.5128.3177.6-57.4177.7-171.4-177.20109.8I249 C325 K326I249-K383 HydrophobicContact CD1-CD 4.16Å; I249-K383 HydrophobicContact CD1-CG 4.27Å; I249-K383 HydrophobicContact CG1-CD 4.29Å; I249-K383 VanDerWaalsContact O-CE 3.27Å; I249-K383 WeakPolarHBondContact O-CE 3.39Å; I249-K383 PolarHBondContact O-NZ 3Å; C325-K383 HydrophobicContact CB-CB 4.1Å; K326-K383 CarbonylContact O-C 3.52Å; K326-K383 WeakPolarHBondContact O-CA 3.45Å
384E89.5Confident82.8Confident76 Ų7676.8 Ų76.836%0.35540%0.397SS..EExtended strand (participates in β ladder)trans-105.7156.9173.465175.6-165.700111.7C325 K326 Y386C325-E384 CarbonylContact C-O 3.54Å; C325-E384 WeakPolarHBondContact CA-O 3.34Å; C325-E384 WeakPolarHBondContact CB-O 3.4Å; K326-E384 WeakPolarHBondContact CE-OE1 3.41Å; K326-E384 HydrophobicContact CG-CG 3.93Å; K326-E384 PolarHBondContact N-O 3.01Å; K326-E384 IonicContact NZ-OE1 4Å; K326-E384 PolarHBondContact NZ-OE1 3.48Å; K326-E384 PolarHBondContact O-N 3.13Å; E384-Y386 PolarHBondContact O-N 3.1Å
385V90.6Very high83.9Confident121 Ų12174.3 Ų74.373%0.73338%0.381SS*.EExtended strand (participates in β ladder)trans-63.4130.8178.2177.60000109
386Y93.1Very high85.3Confident28 Ų2869 Ų6911%0.1136%0.357CS..  trans-124.9133.6180-167.3-117.7000110.5V295 S324 K326 E384 V388 K390 I391 D394V295-Y386 HydrophobicContact CG2-CD1 4.14Å; V295-Y386 HydrophobicContact CG2-CE1 3.67Å; S324-Y386 WeakPolarHBondContact CB-O 3.15Å; S324-Y386 PolarHBondContact O-N 3.3Å; K326-Y386 HydrophobicContact CB-CD1 4.41Å; K326-Y386 HydrophobicContact CB-CD2 4.23Å; K326-Y386 HydrophobicContact CB-CG 3.97Å; K326-Y386 HydrophobicContact CD-CD2 3.61Å; K326-Y386 HydrophobicContact CD-CE2 3.87Å; K326-Y386 HydrophobicContact CD-CG 4.23Å; K326-Y386 HydrophobicContact CG-CD2 3.79Å; K326-Y386 HydrophobicContact CG-CG 3.97Å; E384-Y386 PolarHBondContact O-N 3.1Å; Y386-V388 PolarHBondContact O-N 2.9Å; Y386-K390 HydrophobicContact CD1-CB 4.19Å; Y386-K390 HydrophobicContact CE1-CB 3.4Å; Y386-K390 VanDerWaalsContact CE1-CB 3.4Å; Y386-K390 HydrophobicContact CE1-CD 4.44Å; Y386-K390 HydrophobicContact CE2-CB 4.21Å; Y386-K390 HydrophobicContact CE2-CD 3.71Å; Y386-K390 VanDerWaalsContact CZ-CB 3.43Å; Y386-K390 WeakPolarHBondContact OH-CB 3.33Å; Y386-I391 HydrophobicContact CD1-CD1 3.52Å; Y386-I391 HydrophobicContact CD1-CG1 3.72Å; Y386-I391 HydrophobicContact CE1-CD1 3.99Å; Y386-I391 HydrophobicContact CE1-CG1 4.25Å; Y386-D394 WeakPolarHBondContact CE1-OD2 3.39Å; Y386-D394 PolarHBondContact OH-OD2 2.86Å
387P93.3Very high86.6Confident58 Ų5865 Ų6538%0.37733%0.334SS..  trans-58.7133.1-176.3-25.934.4000113.2N389 K390 I391P387-N389 VanDerWaalsContact C-N 3.28Å; P387-N389 WeakPolarHBondContact CB-OD1 3.32Å; P387-N389 PolarHBondContact O-N 3.07Å; P387-K390 HydrophobicContact CB-CB 4.45Å; P387-K390 HydrophobicContact CB-CD 4.4Å; P387-K390 HydrophobicContact CB-CG 4.15Å; P387-K390 HydrophobicContact CG-CD 4.16Å; P387-K390 HydrophobicContact CG-CG 4.45Å; P387-K390 WeakPolarHBondContact O-CB 3.02Å; P387-K390 PolarHBondContact O-N 3.04Å; P387-I391 PolarHBondContact O-N 3.08Å
388V92.1Very high88Confident43 Ų4363.7 Ų63.726%0.26133%0.327SS..Hα-helixtrans-53.9-43.5-179.8175.30000111.9S324 Y386 K390 I391 Y392 P414S324-V388 VanDerWaalsContact OG-CG2 3.31Å; S324-V388 WeakPolarHBondContact OG-CG2 3.33Å; Y386-V388 PolarHBondContact O-N 2.9Å; V388-K390 VanDerWaalsContact C-N 3.25Å; V388-K390 PolarHBondContact O-N 3.38Å; V388-I391 WeakPolarHBondContact O-CB 3.34Å; V388-I391 PolarHBondContact O-N 3.06Å; V388-Y392 HydrophobicContact CG1-CD2 3.9Å; V388-Y392 HydrophobicContact CG1-CE2 3.43Å; V388-Y392 VanDerWaalsContact CG1-CE2 3.43Å; V388-Y392 WeakPolarHBondContact O-CD2 3.32Å; V388-Y392 PolarHBondContact O-N 3.05Å; V388-P414 HydrophobicContact CG1-CG 4.47Å
389N92.1Very high89.8Confident118 Ų11858.2 Ų58.263%0.63129%0.291SS*.Hα-helixtrans-63-31.1179.265.6-52.3000113P387 K393P387-N389 VanDerWaalsContact C-N 3.28Å; P387-N389 WeakPolarHBondContact CB-OD1 3.32Å; P387-N389 PolarHBondContact O-N 3.07Å; N389-K393 PolarHBondContact O-N 3.1Å
390K94.6Very high91.1Very high100 Ų10052 Ų5244%0.43526%0.263SS..Hα-helixtrans-73.3-39.8175.4-66.7-170.9179-175.50111.5Y386 P387 V388 Y392 K393 D394Y386-K390 HydrophobicContact CD1-CB 4.19Å; Y386-K390 HydrophobicContact CE1-CB 3.4Å; Y386-K390 VanDerWaalsContact CE1-CB 3.4Å; Y386-K390 HydrophobicContact CE1-CD 4.44Å; Y386-K390 HydrophobicContact CE2-CB 4.21Å; Y386-K390 HydrophobicContact CE2-CD 3.71Å; Y386-K390 VanDerWaalsContact CZ-CB 3.43Å; Y386-K390 WeakPolarHBondContact OH-CB 3.33Å; P387-K390 HydrophobicContact CB-CB 4.45Å; P387-K390 HydrophobicContact CB-CD 4.4Å; P387-K390 HydrophobicContact CB-CG 4.15Å; P387-K390 HydrophobicContact CG-CD 4.16Å; P387-K390 HydrophobicContact CG-CG 4.45Å; P387-K390 WeakPolarHBondContact O-CB 3.02Å; P387-K390 PolarHBondContact O-N 3.04Å; V388-K390 VanDerWaalsContact C-N 3.25Å; V388-K390 PolarHBondContact O-N 3.38Å; K390-Y392 VanDerWaalsContact C-N 3.27Å; K390-Y392 PolarHBondContact O-N 3.39Å; K390-K393 WeakPolarHBondContact O-CA 3.16Å; K390-K393 WeakPolarHBondContact O-CB 3.5Å; K390-K393 PolarHBondContact O-N 3.18Å; K390-D394 VanDerWaalsContact O-CG 3.3Å; K390-D394 PolarHBondContact O-N 3.5Å; K390-D394 VanDerWaalsContact O-OD2 3.09Å
391I94.9Very high92.3Very high1 Ų149.6 Ų49.61%0.00526%0.256CS..Hα-helixtrans-52.4-46.1172.5-71.2-65.1000111.5F227 I294 P316 Y386 P387 V388 K393 D394 L395F227-I391 HydrophobicContact CE1-CG2 4.23Å; F227-I391 HydrophobicContact CE2-CG2 4.25Å; F227-I391 HydrophobicContact CZ-CG2 3.56Å; I294-I391 HydrophobicContact CG2-CD1 4.03Å; P316-I391 HydrophobicContact CB-CG2 4.2Å; Y386-I391 HydrophobicContact CD1-CD1 3.52Å; Y386-I391 HydrophobicContact CD1-CG1 3.72Å; Y386-I391 HydrophobicContact CE1-CD1 3.99Å; Y386-I391 HydrophobicContact CE1-CG1 4.25Å; P387-I391 PolarHBondContact O-N 3.08Å; V388-I391 WeakPolarHBondContact O-CB 3.34Å; V388-I391 PolarHBondContact O-N 3.06Å; I391-K393 VanDerWaalsContact C-N 3.34Å; I391-K393 PolarHBondContact O-N 3.39Å; I391-D394 PolarHBondContact O-N 2.71Å; I391-L395 WeakPolarHBondContact O-CB 3.47Å; I391-L395 PolarHBondContact O-N 3.28Å
392Y95.7Very high93.2Very high8 Ų846 Ų463%0.03123%0.232CC..Hα-helixtrans-67.4-34.8178.4-72.5-68.3000113P316 V388 K390 L395 M396 F411 W412 V413 P414 P427P316-Y392 HydrophobicContact CB-CE1 4.02Å; P316-Y392 HydrophobicContact CG-CE1 3.84Å; V388-Y392 HydrophobicContact CG1-CD2 3.9Å; V388-Y392 HydrophobicContact CG1-CE2 3.43Å; V388-Y392 VanDerWaalsContact CG1-CE2 3.43Å; V388-Y392 WeakPolarHBondContact O-CD2 3.32Å; V388-Y392 PolarHBondContact O-N 3.05Å; K390-Y392 VanDerWaalsContact C-N 3.27Å; K390-Y392 PolarHBondContact O-N 3.39Å; Y392-L395 HydrophobicContact CD1-CD2 4.37Å; Y392-M396 WeakPolarHBondContact O-CG 3.35Å; Y392-M396 PolarHBondContact O-N 2.79Å; Y392-F411 AromaticContact CD1-CD2 3.82Å; Y392-F411 HydrophobicContact CD1-CD2 3.82Å; Y392-F411 AromaticContact CD1-CE2 3.75Å; Y392-F411 HydrophobicContact CD1-CE2 3.75Å; Y392-F411 AromaticContact CE1-CD2 3.77Å; Y392-F411 HydrophobicContact CE1-CD2 3.77Å; Y392-F411 HydrophobicContact CE1-CE2 4.08Å; Y392-W412 VanDerWaalsContact CE1-O 3.24Å; Y392-W412 WeakPolarHBondContact CE1-O 3.46Å; Y392-W412 PolarHBondContact OH-O 3.01Å; Y392-V413 HydrophobicContact CD1-CG2 4.18Å; Y392-V413 HydrophobicContact CE1-CG2 3.83Å; Y392-V413 HydrophobicContact CE2-CG1 4.42Å; Y392-P414 WeakPolarHBondContact OH-CD 3.26Å; Y392-P427 HydrophobicContact CD1-CG 4.42Å; Y392-P427 HydrophobicContact CG-CG 4.09Å
393K95.3Very high93.9Very high121 Ų12142.9 Ų42.953%0.52622%0.218SC..Hα-helixtrans-62.8-49.3173-171.5-176.3178.1-1640110.8N389 K390 I391 L395 M396 E397N389-K393 PolarHBondContact O-N 3.1Å; K390-K393 WeakPolarHBondContact O-CA 3.16Å; K390-K393 WeakPolarHBondContact O-CB 3.5Å; K390-K393 PolarHBondContact O-N 3.18Å; I391-K393 VanDerWaalsContact C-N 3.34Å; I391-K393 PolarHBondContact O-N 3.39Å; K393-L395 VanDerWaalsContact C-N 3.31Å; K393-L395 PolarHBondContact O-N 2.94Å; K393-M396 PolarHBondContact O-N 2.84Å; K393-E397 WeakPolarHBondContact CE-OE1 3.17Å; K393-E397 IonicContact NZ-OE1 3.77Å; K393-E397 WeakPolarHBondContact O-CG 3.45Å; K393-E397 PolarHBondContact O-N 3.23Å
394D95.7Very high94.3Very high19 Ų1944 Ų4410%0.10222%0.221CC..Hα-helixtrans-62.5-38179-63.1-39.3000111.4I294 Y386 K390 I391 L398I294-D394 HydrophobicContact CG2-CB 4.47Å; Y386-D394 WeakPolarHBondContact CE1-OD2 3.39Å; Y386-D394 PolarHBondContact OH-OD2 2.86Å; K390-D394 VanDerWaalsContact O-CG 3.3Å; K390-D394 PolarHBondContact O-N 3.5Å; K390-D394 VanDerWaalsContact O-OD2 3.09Å; I391-D394 PolarHBondContact O-N 2.71Å; D394-L398 VanDerWaalsContact O-CB 3.27Å; D394-L398 WeakPolarHBondContact O-CB 3.09Å; D394-L398 PolarHBondContact O-N 2.91Å
395L97.1Very high94.5Very high0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-60.5-48.2172.7173.462.9000112.5P226 F227 I294 I312 T314 P316 I391 Y392 K393 L398 A399 L409 F411P226-L395 HydrophobicContact CG-CD1 3.57Å; F227-L395 HydrophobicContact CE2-CD1 4.4Å; I294-L395 HydrophobicContact CD1-CB 3.88Å; I294-L395 HydrophobicContact CD1-CD1 4.06Å; I312-L395 HydrophobicContact CG2-CD1 4.44Å; T314-L395 HydrophobicContact CG2-CD1 4.01Å; T314-L395 HydrophobicContact CG2-CD2 3.93Å; P316-L395 HydrophobicContact CG-CD2 3.8Å; I391-L395 WeakPolarHBondContact O-CB 3.47Å; I391-L395 PolarHBondContact O-N 3.28Å; Y392-L395 HydrophobicContact CD1-CD2 4.37Å; K393-L395 VanDerWaalsContact C-N 3.31Å; K393-L395 PolarHBondContact O-N 2.94Å; L395-L398 PolarHBondContact O-N 3.45Å; L395-A399 VanDerWaalsContact O-CB 3.25Å; L395-A399 WeakPolarHBondContact O-CB 3.49Å; L395-A399 PolarHBondContact O-N 2.8Å; L395-L409 HydrophobicContact CD1-CD1 4.33Å; L395-L409 HydrophobicContact CG-CD1 4.46Å; L395-F411 HydrophobicContact CD2-CB 3.96Å; L395-F411 HydrophobicContact CD2-CD2 3.97Å; L395-F411 HydrophobicContact CD2-CG 3.92Å
396M96Very high94.8Very high12 Ų1241 Ų416%0.05921%0.206CC..Hα-helixtrans-68.3-38.4-179.1-70.5-175.5-60.100111.8Y392 K393 A399 A400 L409 P427 H428 H429 M453Y392-M396 WeakPolarHBondContact O-CG 3.35Å; Y392-M396 PolarHBondContact O-N 2.79Å; K393-M396 PolarHBondContact O-N 2.84Å; M396-A399 PolarHBondContact O-N 2.8Å; M396-A400 VanDerWaalsContact O-CB 3.31Å; M396-A400 WeakPolarHBondContact O-CB 3.38Å; M396-A400 PolarHBondContact O-N 3.45Å; M396-L409 HydrophobicContact CG-CD2 4.21Å; M396-P427 HydrophobicContact CE-CB 3.61Å; M396-P427 HydrophobicContact SD-CB 3.72Å; M396-H428 VanDerWaalsContact CE-O 3.28Å; M396-H428 WeakPolarHBondContact CE-O 3.38Å; M396-H429 HydrophobicContact CB-CB 4.05Å; M396-H429 HydrophobicContact CG-CB 4.47Å; M396-H429 HydrophobicContact SD-CB 3.94Å; M396-M453 HydrophobicContact SD-CE 4.4Å
397E94.7Very high95Very high53 Ų5340 Ų4025%0.24821%0.205CC..Hα-helixtrans-62.4-48.7173.7-73-179.9-17500111.1K393 A399 A400 D401K393-E397 WeakPolarHBondContact CE-OE1 3.17Å; K393-E397 IonicContact NZ-OE1 3.77Å; K393-E397 WeakPolarHBondContact O-CG 3.45Å; K393-E397 PolarHBondContact O-N 3.23Å; E397-A399 VanDerWaalsContact C-N 3.32Å; E397-A399 PolarHBondContact O-N 2.85Å; E397-A400 WeakPolarHBondContact O-CB 3.32Å; E397-A400 PolarHBondContact O-N 3.26Å; E397-D401 PolarHBondContact O-N 2.89Å; E397-D401 VanDerWaalsContact O-N 3.16Å
398L95Very high95.2Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-58.8-44.8176.4-177.973.4000111.4P226 I294 L297 R298 D394 L395 A400 D401 L402P226-L398 HydrophobicContact CB-CD2 3.98Å; P226-L398 HydrophobicContact CG-CD2 4.5Å; I294-L398 HydrophobicContact CD1-CD2 4.23Å; I294-L398 HydrophobicContact CG1-CD2 3.92Å; L297-L398 HydrophobicContact CD2-CD1 4.39Å; L297-L398 HydrophobicContact CD2-CD2 3.9Å; L297-L398 HydrophobicContact CG-CD1 4.28Å; R298-L398 HydrophobicContact CB-CD1 3.86Å; D394-L398 VanDerWaalsContact O-CB 3.27Å; D394-L398 WeakPolarHBondContact O-CB 3.09Å; D394-L398 PolarHBondContact O-N 2.91Å; L395-L398 PolarHBondContact O-N 3.45Å; L398-A400 VanDerWaalsContact C-N 3.33Å; L398-A400 PolarHBondContact O-N 3.42Å; L398-D401 PolarHBondContact O-N 3.27Å; L398-L402 HydrophobicContact CD1-CD1 3.65Å; L398-L402 HydrophobicContact CD1-CG 4.12Å; L398-L402 HydrophobicContact CD2-CD1 4.14Å; L398-L402 HydrophobicContact CG-CD1 3.66Å; L398-L402 HydrophobicContact CG-CG 4.28Å; L398-L402 WeakPolarHBondContact O-CB 3.24Å; L398-L402 WeakPolarHBondContact O-CG 3.3Å; L398-L402 PolarHBondContact O-N 3.25Å
399A96.1Very high95.5Very high0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-66.8-35.9179.300000112.4I312 L395 M396 E397 D401 L402 L403 L409 F432I312-A399 HydrophobicContact CD1-CB 3.73Å; L395-A399 VanDerWaalsContact O-CB 3.25Å; L395-A399 WeakPolarHBondContact O-CB 3.49Å; L395-A399 PolarHBondContact O-N 2.8Å; M396-A399 PolarHBondContact O-N 2.8Å; E397-A399 VanDerWaalsContact C-N 3.32Å; E397-A399 PolarHBondContact O-N 2.85Å; A399-D401 PolarHBondContact O-N 3.3Å; A399-L402 PolarHBondContact O-N 3.3Å; A399-L403 HydrophobicContact CB-CD1 4.18Å; A399-L403 WeakPolarHBondContact O-CB 3.3Å; A399-L403 PolarHBondContact O-N 3.44Å; A399-L409 HydrophobicContact CB-CD1 3.88Å; A399-L409 HydrophobicContact CB-CD2 3.77Å; A399-L409 HydrophobicContact CB-CG 4.25Å; A399-F432 HydrophobicContact CB-CE2 4.22Å; A399-F432 HydrophobicContact CB-CZ 3.75Å
400A94.4Very high95.8Very high6 Ų630.1 Ų30.15%0.0515%0.146CC..Hα-helixtrans-61.2-35.3175.300000111.3M396 E397 L398 N431 F432 K455M396-A400 VanDerWaalsContact O-CB 3.31Å; M396-A400 WeakPolarHBondContact O-CB 3.38Å; M396-A400 PolarHBondContact O-N 3.45Å; E397-A400 WeakPolarHBondContact O-CB 3.32Å; E397-A400 PolarHBondContact O-N 3.26Å; L398-A400 VanDerWaalsContact C-N 3.33Å; L398-A400 PolarHBondContact O-N 3.42Å; A400-N431 HydrophobicContact CB-CB 4.34Å; A400-F432 HydrophobicContact CB-CE2 3.82Å; A400-F432 HydrophobicContact CB-CZ 4.5Å; A400-K455 VanDerWaalsContact O-CE 3.24Å; A400-K455 WeakPolarHBondContact O-CE 3.36Å; A400-K455 PolarHBondContact O-NZ 3Å
401D92.5Very high96Very high65 Ų6525.4 Ų25.435%0.34813%0.125SC..Hα-helixtrans-79.6-44.3177.1-63.2-26.8000111.6I303 E397 L398 A399I303-D401 HydrophobicContact CD1-CB 3.41Å; I303-D401 VanDerWaalsContact CD1-CB 3.41Å; I303-D401 WeakPolarHBondContact CG2-O 3.34Å; E397-D401 PolarHBondContact O-N 2.89Å; E397-D401 VanDerWaalsContact O-N 3.16Å; L398-D401 PolarHBondContact O-N 3.27Å; A399-D401 PolarHBondContact O-N 3.3Å
402L94.6Very high96.1Very high1 Ų125.3 Ų25.31%0.00513%0.125CC..Hα-helixtrans-86.2-25.6-168.4-69.8-177.7000116.4L301 I303 L308 F309 I312 L398 A399L301-L402 HydrophobicContact CD1-CD1 4.05Å; L301-L402 HydrophobicContact CD1-CD2 3.92Å; I303-L402 HydrophobicContact CD1-CD2 3.57Å; I303-L402 HydrophobicContact CD1-CG 4.15Å; I303-L402 HydrophobicContact CG1-CD2 3.69Å; I303-L402 HydrophobicContact CG2-CD2 4.18Å; L308-L402 PolarHBondContact N-O 3.23Å; F309-L402 HydrophobicContact CD2-CB 4.07Å; F309-L402 HydrophobicContact CD2-CD1 4.22Å; F309-L402 HydrophobicContact CE2-CD1 4.07Å; F309-L402 HydrophobicContact CE2-CD2 4.49Å; F309-L402 PolarHBondContact N-O 3Å; I312-L402 HydrophobicContact CD1-CB 4.13Å; L398-L402 HydrophobicContact CD1-CD1 3.65Å; L398-L402 HydrophobicContact CD1-CG 4.12Å; L398-L402 HydrophobicContact CD2-CD1 4.14Å; L398-L402 HydrophobicContact CG-CD1 3.66Å; L398-L402 HydrophobicContact CG-CG 4.28Å; L398-L402 WeakPolarHBondContact O-CB 3.24Å; L398-L402 WeakPolarHBondContact O-CG 3.3Å; L398-L402 PolarHBondContact O-N 3.25Å; A399-L402 PolarHBondContact O-N 3.3Å
403L96.6Very high96.1Very high0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-77.1145.1-178.7-78170.9000111.8F309 I312 A399 L409 F432 K455F309-L403 HydrophobicContact CB-CD2 4.49Å; F309-L403 CarbonylContact O-C 3.02Å; F309-L403 WeakPolarHBondContact O-CA 3.48Å; F309-L403 WeakPolarHBondContact O-CD2 3.35Å; I312-L403 HydrophobicContact CB-CD2 4.36Å; I312-L403 HydrophobicContact CD1-CD1 4.35Å; I312-L403 HydrophobicContact CD1-CD2 4.23Å; I312-L403 HydrophobicContact CD1-CG 3.84Å; I312-L403 HydrophobicContact CG1-CD2 3.85Å; I312-L403 HydrophobicContact CG1-CG 4.02Å; A399-L403 HydrophobicContact CB-CD1 4.18Å; A399-L403 WeakPolarHBondContact O-CB 3.3Å; A399-L403 PolarHBondContact O-N 3.44Å; L403-L409 HydrophobicContact CD1-CB 3.89Å; L403-F432 HydrophobicContact CD1-CE1 3.75Å; L403-F432 HydrophobicContact CD1-CZ 3.94Å; L403-K455 HydrophobicContact CB-CB 4.32Å; L403-K455 HydrophobicContact CB-CD 3.72Å; L403-K455 VanDerWaalsContact O-CD 3.27Å; L403-K455 WeakPolarHBondContact O-CD 3.39Å; L403-K455 WeakPolarHBondContact O-CE 3.25Å; L403-K455 PolarHBondContact O-NZ 2.93Å
404Y95.7Very high96.1Very high95 Ų9520.7 Ų20.737%0.37311%0.108SC..EExtended strand (participates in β ladder)trans-63.6152.8160.9-69.1-64.7000111.2G306 G307 L308 F309 N406 G407G306-Y404 WeakPolarHBondContact O-CA 3.28Å; G306-Y404 WeakPolarHBondContact O-CD1 3.2Å; G307-Y404 VanDerWaalsContact O-CE1 3.32Å; G307-Y404 WeakPolarHBondContact O-CE1 3.31Å; L308-Y404 WeakPolarHBondContact O-CE2 3.43Å; F309-Y404 WeakPolarHBondContact O-CD2 3.33Å; F309-Y404 PolarHBondContact O-N 2.92Å; Y404-N406 PolarHBondContact O-N 2.77Å; Y404-G407 WeakPolarHBondContact O-CA 3.4Å; Y404-G407 PolarHBondContact O-N 3.4Å
405P95.5Very high95.9Very high47 Ų4720.8 Ų20.831%0.30511%0.109SC..EExtended strand (participates in β ladder)trans-49.6141.3165-25.533.8000110.9G306 G407 D457G306-P405 VanDerWaalsContact O-CD 3.28Å; G306-P405 WeakPolarHBondContact O-CD 3.41Å; P405-G407 PolarHBondContact O-N 3.01Å; P405-G407 VanDerWaalsContact O-N 3.13Å; P405-D457 HydrophobicContact CB-CB 3.91Å
406N95.6Very high95.7Very high86 Ų8624.3 Ų24.346%0.4613%0.128SC..EExtended strand (participates in β ladder)trans64.90.5-172.4-51-58.9000115.6Y404 K455Y404-N406 PolarHBondContact O-N 2.77Å; N406-K455 WeakPolarHBondContact CA-O 3.32Å; N406-K455 PolarHBondContact N-O 3.12Å
407G97.2Very high95.5Very high8 Ų826.5 Ų26.58%0.08214%0.136CC..EExtended strand (participates in β ladder)trans-65.3157.7170.100000112.6D310 Y404 P405 V454 K455D310-G407 WeakPolarHBondContact O-CA 3.42Å; Y404-G407 WeakPolarHBondContact O-CA 3.4Å; Y404-G407 PolarHBondContact O-N 3.4Å; P405-G407 PolarHBondContact O-N 3.01Å; P405-G407 VanDerWaalsContact O-N 3.13Å; G407-V454 WeakPolarHBondContact O-CA 3.46Å; G407-K455 PolarHBondContact O-N 3.01Å
408R98Very high95.4Very high11 Ų1129.2 Ų29.24%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-105.5132.7-174.7-63.6-60.9178103.9-8.8112.7E26 L216 D310 A311 I312 V410 M453E26-R408 IonicContact OE1-CZ 3.74Å; E26-R408 IonicContact OE1-NH2 3.28Å; E26-R408 PolarHBondContact OE1-NH2 3.43Å; E26-R408 IonicContact OE2-CZ 3.76Å; E26-R408 IonicContact OE2-NH2 2.74Å; E26-R408 PolarHBondContact OE2-NH2 2.77Å; L216-R408 HydrophobicContact CB-CG 4.47Å; L216-R408 HydrophobicContact CD1-CG 3.94Å; L216-R408 HydrophobicContact CG-CG 4.01Å; D310-R408 PolarHBondContact O-N 3.03Å; A311-R408 CarbonylContact C-O 3.58Å; A311-R408 VanDerWaalsContact CA-O 3.31Å; A311-R408 WeakPolarHBondContact CA-O 3Å; I312-R408 PolarHBondContact N-O 3.03Å; R408-V410 HydrophobicContact CB-CG2 4.3Å; R408-M453 WeakPolarHBondContact CA-O 3.23Å; R408-M453 WeakPolarHBondContact CD-O 3.3Å
409L98.6Very high95.1Very high0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-104.2118.3165.6174.361.1000108.4I312 L395 M396 A399 L403 F411 F432 M453I312-L409 HydrophobicContact CB-CD1 3.91Å; I312-L409 HydrophobicContact CG2-CD1 3.65Å; I312-L409 CarbonylContact O-C 3.43Å; I312-L409 WeakPolarHBondContact O-CA 3.32Å; L395-L409 HydrophobicContact CD1-CD1 4.33Å; L395-L409 HydrophobicContact CG-CD1 4.46Å; M396-L409 HydrophobicContact CG-CD2 4.21Å; A399-L409 HydrophobicContact CB-CD1 3.88Å; A399-L409 HydrophobicContact CB-CD2 3.77Å; A399-L409 HydrophobicContact CB-CG 4.25Å; L403-L409 HydrophobicContact CD1-CB 3.89Å; L409-F411 HydrophobicContact CD1-CD1 4.09Å; L409-F411 HydrophobicContact CD2-CD1 4.07Å; L409-F411 HydrophobicContact CD2-CE1 3.81Å; L409-F411 HydrophobicContact CG-CD1 3.66Å; L409-F411 HydrophobicContact CG-CE1 3.85Å; L409-F432 HydrophobicContact CB-CD1 4.39Å; L409-F432 HydrophobicContact CB-CE1 3.88Å; L409-F432 HydrophobicContact CB-CZ 4.38Å; L409-F432 HydrophobicContact CD2-CE1 4.34Å; L409-F432 HydrophobicContact CD2-CE2 4.43Å; L409-F432 HydrophobicContact CD2-CZ 4.21Å; L409-M453 HydrophobicContact CB-CB 4.35Å; L409-M453 HydrophobicContact CD2-SD 4.4Å; L409-M453 PolarHBondContact N-O 3.4Å; L409-M453 PolarHBondContact O-N 3Å
410V98.7Very high94.9Very high0 Ų036.8 Ų36.80%020%0.195CC..EExtended strand (participates in β ladder)trans-126.2116.4-177-176.50000109.3M211 V214 I312 I313 T314 R408 L450 V451 V452M211-V410 HydrophobicContact CB-CG1 4.21Å; M211-V410 HydrophobicContact CE-CG1 4.32Å; M211-V410 HydrophobicContact CG-CG1 4.12Å; V214-V410 HydrophobicContact CG2-CG1 3.76Å; V214-V410 HydrophobicContact CG2-CG2 4Å; I312-V410 PolarHBondContact O-N 2.82Å; I313-V410 CarbonylContact C-O 3.56Å; I313-V410 VanDerWaalsContact CA-O 3.29Å; I313-V410 WeakPolarHBondContact CA-O 3.41Å; I313-V410 HydrophobicContact CB-CB 4.42Å; I313-V410 HydrophobicContact CG2-CB 3.92Å; I313-V410 HydrophobicContact CG2-CG2 4.15Å; T314-V410 PolarHBondContact N-O 3.29Å; R408-V410 HydrophobicContact CB-CG2 4.3Å; V410-L450 HydrophobicContact CG1-CD1 3.61Å; V410-L450 HydrophobicContact CG1-CG 4.3Å; V410-V451 WeakPolarHBondContact CA-O 3.04Å; V410-V452 HydrophobicContact CG1-CG2 4.36Å; V410-V452 HydrophobicContact CG2-CG1 4.31Å
411F98.3Very high94.6Very high0 Ų044.1 Ų44.10%023%0.232CC..EExtended strand (participates in β ladder)trans-150.9158-174.463.9-75.6000113.3T314 Y392 L395 L409 V413 P427 V451 M453T314-F411 HydrophobicContact CG2-CB 3.72Å; T314-F411 VanDerWaalsContact O-CA 3.29Å; T314-F411 WeakPolarHBondContact O-CA 3.15Å; Y392-F411 AromaticContact CD1-CD2 3.82Å; Y392-F411 HydrophobicContact CD1-CD2 3.82Å; Y392-F411 AromaticContact CD1-CE2 3.75Å; Y392-F411 HydrophobicContact CD1-CE2 3.75Å; Y392-F411 AromaticContact CE1-CD2 3.77Å; Y392-F411 HydrophobicContact CE1-CD2 3.77Å; Y392-F411 HydrophobicContact CE1-CE2 4.08Å; L395-F411 HydrophobicContact CD2-CB 3.96Å; L395-F411 HydrophobicContact CD2-CD2 3.97Å; L395-F411 HydrophobicContact CD2-CG 3.92Å; L409-F411 HydrophobicContact CD1-CD1 4.09Å; L409-F411 HydrophobicContact CD2-CD1 4.07Å; L409-F411 HydrophobicContact CD2-CE1 3.81Å; L409-F411 HydrophobicContact CG-CD1 3.66Å; L409-F411 HydrophobicContact CG-CE1 3.85Å; F411-V413 HydrophobicContact CD2-CG2 3.58Å; F411-V413 HydrophobicContact CE2-CG2 3.29Å; F411-V413 HydrophobicContact CZ-CG2 4.33Å; F411-P427 HydrophobicContact CE2-CG 4.44Å; F411-V451 HydrophobicContact CD1-CB 4.15Å; F411-V451 HydrophobicContact CD1-CG1 4.33Å; F411-V451 HydrophobicContact CD2-CB 4.45Å; F411-V451 HydrophobicContact CE1-CB 3.84Å; F411-V451 HydrophobicContact CE1-CG1 3.58Å; F411-V451 HydrophobicContact CE2-CB 4.18Å; F411-V451 HydrophobicContact CE2-CG1 4.36Å; F411-V451 HydrophobicContact CE2-CG2 4.45Å; F411-V451 HydrophobicContact CG-CB 4.47Å; F411-V451 HydrophobicContact CZ-CB 3.86Å; F411-V451 HydrophobicContact CZ-CG1 3.6Å; F411-V451 HydrophobicContact CZ-CG2 4.47Å; F411-V451 PolarHBondContact N-O 2.98Å; F411-V451 PolarHBondContact O-N 3.15Å; F411-M453 HydrophobicContact CE1-CE 4.2Å; F411-M453 HydrophobicContact CE1-CG 4.47Å; F411-M453 HydrophobicContact CE1-SD 4.08Å; F411-M453 HydrophobicContact CZ-CE 4.04Å; F411-M453 HydrophobicContact CZ-SD 4.43Å
412W97.2Very high94.3Very high0 Ų041.7 Ų41.70%022%0.222CC..EExtended strand (participates in β ladder)trans-94.4138.6174.7-70.497.2000112.4F16 L207 M211 T314 D315 Y318 Y392 Q440 R448 Y449 L450F16-W412 AromaticContact CE1-CH2 3.79Å; F16-W412 HydrophobicContact CE1-CH2 3.79Å; F16-W412 HydrophobicContact CE1-CZ2 4.43Å; F16-W412 AromaticContact CZ-CH2 3.74Å; F16-W412 HydrophobicContact CZ-CH2 3.74Å; F16-W412 HydrophobicContact CZ-CZ3 4.36Å; L207-W412 HydrophobicContact CD1-CZ2 4.24Å; L207-W412 HydrophobicContact CD2-CH2 4.28Å; L207-W412 HydrophobicContact CD2-CZ2 4Å; M211-W412 PolarHBondContact SD-NE1 2.79Å; T314-W412 PolarHBondContact O-N 3.24Å; D315-W412 VanDerWaalsContact OD1-CB 3.25Å; D315-W412 WeakPolarHBondContact OD1-CB 3.45Å; Y318-W412 HydrophobicContact CE1-CB 4.03Å; Y318-W412 VanDerWaalsContact OH-CB 3.25Å; Y318-W412 WeakPolarHBondContact OH-CB 3.24Å; Y392-W412 VanDerWaalsContact CE1-O 3.24Å; Y392-W412 WeakPolarHBondContact CE1-O 3.46Å; Y392-W412 PolarHBondContact OH-O 3.01Å; W412-Q440 HydrophobicContact CH2-CB 4.02Å; W412-Q440 HydrophobicContact CZ3-CB 3.9Å; W412-R448 HydrophobicContact CD2-CG 4.35Å; W412-R448 HydrophobicContact CE3-CB 3.88Å; W412-R448 VanDerWaalsContact CE3-CD 3.48Å; W412-R448 HydrophobicContact CE3-CG 3.48Å; W412-R448 VanDerWaalsContact CE3-CG 3.48Å; W412-R448 HydrophobicContact CZ3-CB 4.4Å; W412-R448 HydrophobicContact CZ3-CG 3.67Å; W412-Y449 CarbonylContact C-O 3.52Å; W412-Y449 WeakPolarHBondContact CA-O 2.95Å; W412-L450 HydrophobicContact CD2-CB 4.23Å; W412-L450 HydrophobicContact CD2-CD1 4.15Å; W412-L450 HydrophobicContact CE3-CB 3.94Å; W412-L450 VanDerWaalsContact CE3-N 3.27Å; W412-L450 HydrophobicContact CH2-CB 3.7Å; W412-L450 HydrophobicContact CZ2-CB 3.96Å; W412-L450 HydrophobicContact CZ2-CD1 4.05Å; W412-L450 HydrophobicContact CZ2-CG 4.44Å; W412-L450 HydrophobicContact CZ3-CB 3.67Å; W412-L450 VanDerWaalsContact CZ3-N 3.27Å
413V95.3Very high93.9Very high9 Ų942.7 Ų42.76%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-123.5120.6174.7-176.10000110Y392 F411 L426 P427 R448 Y449 V451Y392-V413 HydrophobicContact CD1-CG2 4.18Å; Y392-V413 HydrophobicContact CE1-CG2 3.83Å; Y392-V413 HydrophobicContact CE2-CG1 4.42Å; F411-V413 HydrophobicContact CD2-CG2 3.58Å; F411-V413 HydrophobicContact CE2-CG2 3.29Å; F411-V413 HydrophobicContact CZ-CG2 4.33Å; V413-L426 HydrophobicContact CB-CD2 4.38Å; V413-L426 HydrophobicContact CG1-CD2 4.19Å; V413-P427 HydrophobicContact CG1-CG 4.27Å; V413-P427 HydrophobicContact CG2-CG 4.11Å; V413-R448 CarbonylContact O-C 3.56Å; V413-R448 WeakPolarHBondContact O-CA 3.08Å; V413-Y449 PolarHBondContact N-O 3.42Å; V413-Y449 PolarHBondContact O-N 3.06Å; V413-V451 HydrophobicContact CB-CG2 4.34Å; V413-V451 HydrophobicContact CG2-CG2 3.71Å
414P94.6Very high93.4Very high23 Ų2351.5 Ų51.515%0.14927%0.267CS..EExtended strand (participates in β ladder)trans-73.3143.9173.830.9-34.4000111.2Y318 F320 V388 Y392Y318-P414 HydrophobicContact CD1-CB 4.1Å; Y318-P414 HydrophobicContact CD1-CG 3.81Å; Y318-P414 HydrophobicContact CD2-CB 4.2Å; Y318-P414 HydrophobicContact CG-CB 3.81Å; Y318-P414 HydrophobicContact CG-CG 3.87Å; F320-P414 HydrophobicContact CE1-CB 3.59Å; F320-P414 HydrophobicContact CZ-CB 4.22Å; V388-P414 HydrophobicContact CG1-CG 4.47Å; Y392-P414 WeakPolarHBondContact OH-CD 3.26Å
415V93.3Very high93Very high20 Ų2050.2 Ų50.212%0.12127%0.272CS..EExtended strand (participates in β ladder)trans-138.3148.4172.7-55.10000111.4F420 L426 T446 S447 Y449V415-F420 HydrophobicContact CB-CB 4.37Å; V415-F420 HydrophobicContact CB-CD2 4.04Å; V415-F420 HydrophobicContact CB-CG 4.42Å; V415-F420 HydrophobicContact CG1-CD2 3.77Å; V415-F420 HydrophobicContact CG1-CE2 4.11Å; V415-F420 HydrophobicContact CG2-CB 4.21Å; V415-F420 HydrophobicContact CG2-CD2 4.14Å; V415-F420 HydrophobicContact CG2-CG 4.16Å; V415-L426 HydrophobicContact CG1-CD2 4.26Å; V415-T446 WeakPolarHBondContact O-CA 3.39Å; V415-S447 PolarHBondContact N-O 3.11Å; V415-S447 PolarHBondContact O-N 2.92Å; V415-S447 VanDerWaalsContact O-O 3.13Å; V415-Y449 HydrophobicContact CG1-CD2 4.14Å; V415-Y449 HydrophobicContact CG2-CD2 3.73Å; V415-Y449 HydrophobicContact CG2-CE2 3.51Å
416L92.7Very high92.9Very high75 Ų7548.4 Ų48.439%0.39326%0.259SS..EExtended strand (participates in β ladder)trans-81122.8163.6-68.2177.5000108.2S418 E419 F420 T446L416-S418 PolarHBondContact O-N 3.11Å; L416-E419 HydrophobicContact CB-CB 4.08Å; L416-E419 HydrophobicContact CB-CG 4.13Å; L416-E419 VanDerWaalsContact CD1-CD 3.47Å; L416-E419 HydrophobicContact CD1-CG 4.43Å; L416-E419 VanDerWaalsContact CD1-OE1 3.3Å; L416-E419 WeakPolarHBondContact CD1-OE1 3.48Å; L416-E419 WeakPolarHBondContact CD1-OE2 3.34Å; L416-E419 CarbonylContact O-C 3.47Å; L416-E419 PolarHBondContact O-N 2.94Å; L416-F420 PolarHBondContact O-N 3.17Å; L416-T446 HydrophobicContact CD2-CG2 3.89Å
417R90.9Very high92.8Very high58 Ų5845.6 Ų45.622%0.21925%0.246CC..THydrogen-bonded Turntrans-63.6-29.4-174.4-64.4-178.774.3-136.7-1.5112.8E419 T444 R445 S447 Y478R417-E419 VanDerWaalsContact C-N 3.31Å; R417-T444 PolarHBondContact NH1-O 3.31Å; R417-R445 WeakPolarHBondContact CB-O 3.39Å; R417-R445 WeakPolarHBondContact CG-O 3.32Å; R417-R445 PolarHBondContact N-O 3.48Å; R417-S447 WeakPolarHBondContact CD-OG 3.31Å; R417-S447 VanDerWaalsContact CG-OG 3.31Å; R417-S447 WeakPolarHBondContact CG-OG 3.46Å; R417-Y478 PolarHBondContact NH2-O 3.42Å
418S91.8Very high92.6Very high109 Ų10952.3 Ų52.376%0.76228%0.275SS*.THydrogen-bonded Turntrans-73.4-21.9175.549.20000113.7L416L416-S418 PolarHBondContact O-N 3.11Å
419E90.3Very high92.5Very high130 Ų13054.1 Ų54.161%0.60728%0.283SS*.THydrogen-bonded Turntrans-110.4-3.1-175.3-60.6176.2-166.300112.2L416 R417 I421L416-E419 HydrophobicContact CB-CB 4.08Å; L416-E419 HydrophobicContact CB-CG 4.13Å; L416-E419 VanDerWaalsContact CD1-CD 3.47Å; L416-E419 HydrophobicContact CD1-CG 4.43Å; L416-E419 VanDerWaalsContact CD1-OE1 3.3Å; L416-E419 WeakPolarHBondContact CD1-OE1 3.48Å; L416-E419 WeakPolarHBondContact CD1-OE2 3.34Å; L416-E419 CarbonylContact O-C 3.47Å; L416-E419 PolarHBondContact O-N 2.94Å; R417-E419 VanDerWaalsContact C-N 3.31Å; E419-I421 WeakPolarHBondContact O-CG1 3.37Å; E419-I421 PolarHBondContact O-N 3.49Å
420F90.6Very high92.3Very high30 Ų3060.7 Ų60.713%0.13232%0.318CS..  trans-77.4108.2-178.4-174-116.8000110.4V415 L416 G422 L426 Y449 V477V415-F420 HydrophobicContact CB-CB 4.37Å; V415-F420 HydrophobicContact CB-CD2 4.04Å; V415-F420 HydrophobicContact CB-CG 4.42Å; V415-F420 HydrophobicContact CG1-CD2 3.77Å; V415-F420 HydrophobicContact CG1-CE2 4.11Å; V415-F420 HydrophobicContact CG2-CB 4.21Å; V415-F420 HydrophobicContact CG2-CD2 4.14Å; V415-F420 HydrophobicContact CG2-CG 4.16Å; L416-F420 PolarHBondContact O-N 3.17Å; F420-G422 WeakPolarHBondContact CE2-O 3.3Å; F420-G422 VanDerWaalsContact CZ-C 3.41Å; F420-L426 HydrophobicContact CE2-CD2 3.81Å; F420-L426 HydrophobicContact CE2-CG 4.09Å; F420-L426 HydrophobicContact CZ-CD2 4.43Å; F420-L426 HydrophobicContact CZ-CG 4.44Å; F420-Y449 HydrophobicContact CD1-CE2 4.12Å; F420-Y449 AromaticContact CD1-CZ 3.86Å; F420-Y449 WeakPolarHBondContact CD1-OH 2.73Å; F420-Y449 AromaticContact CE1-CE1 3.76Å; F420-Y449 HydrophobicContact CE1-CE1 3.76Å; F420-Y449 AromaticContact CE1-CE2 3.8Å; F420-Y449 HydrophobicContact CE1-CE2 3.8Å; F420-Y449 AromaticContact CE1-CZ 3.25Å; F420-Y449 WeakPolarHBondContact CE1-OH 3.36Å; F420-Y449 HydrophobicContact CE2-CE2 4.3Å; F420-Y449 HydrophobicContact CG-CE2 4.47Å; F420-Y449 HydrophobicContact CZ-CD1 4.32Å; F420-Y449 HydrophobicContact CZ-CD2 4.35Å; F420-Y449 AromaticContact CZ-CE1 3.8Å; F420-Y449 HydrophobicContact CZ-CE1 3.8Å; F420-Y449 AromaticContact CZ-CE2 3.9Å; F420-Y449 HydrophobicContact CZ-CE2 3.9Å; F420-Y449 AromaticContact CZ-CZ 3.59Å; F420-V477 HydrophobicContact CD1-CG1 3.91Å; F420-V477 HydrophobicContact CD1-CG2 4.36Å; F420-V477 HydrophobicContact CE1-CB 4.29Å; F420-V477 HydrophobicContact CE1-CG1 3.88Å; F420-V477 HydrophobicContact CE1-CG2 3.53Å; F420-V477 HydrophobicContact CZ-CG2 4.39Å
421I88.3Confident92.1Very high159 Ų15962.9 Ų62.982%0.81533%0.33SS*.  trans-90.2-6.5-175.2-57159.1000111.4E419E419-I421 WeakPolarHBondContact O-CG1 3.37Å; E419-I421 PolarHBondContact O-N 3.49Å
422G87.2Confident92Very high14 Ų1463.6 Ų63.614%0.14433%0.333CS..  trans127.1-179174.900000112.9F420 K424 S425F420-G422 WeakPolarHBondContact CE2-O 3.3Å; F420-G422 VanDerWaalsContact CZ-C 3.41Å; G422-K424 PolarHBondContact O-N 3.39Å; G422-K424 VanDerWaalsContact O-N 3.12Å; G422-S425 PolarHBondContact O-N 3.39Å; G422-S425 PolarHBondContact O-OG 2.91Å
423V85.8Confident91.8Very high22 Ų2268.6 Ų68.613%0.13335%0.352CS..G310 helixtrans-61.7-27.5-170.2176.10000113.4S425 L426 L434 A437 P475 V477V423-S425 PolarHBondContact O-N 3.35Å; V423-L426 HydrophobicContact CB-CD1 4.48Å; V423-L426 HydrophobicContact CG1-CD1 4.13Å; V423-L426 WeakPolarHBondContact O-CB 3.16Å; V423-L426 PolarHBondContact O-N 2.72Å; V423-L426 VanDerWaalsContact O-N 3.09Å; V423-L434 HydrophobicContact CG1-CD2 3.19Å; V423-A437 HydrophobicContact CG1-CB 4.01Å; V423-A437 HydrophobicContact CG2-CB 4Å; V423-P475 HydrophobicContact CB-CG 4.33Å; V423-P475 HydrophobicContact CG2-CB 3.4Å; V423-P475 HydrophobicContact CG2-CG 3.51Å; V423-V477 HydrophobicContact CG2-CG2 4.49Å
424K85.1Confident91.8Very high185 Ų18569.8 Ų69.880%0.80436%0.357SS*.G310 helixtrans-65.1-19.5175-63.1-172.3179.1-173.40113.5G422 L426G422-K424 PolarHBondContact O-N 3.39Å; G422-K424 VanDerWaalsContact O-N 3.12Å; K424-L426 VanDerWaalsContact C-N 3.33Å
425S89.2Confident91.7Very high69 Ų6969.3 Ų69.348%0.48335%0.354SS..G310 helixtrans-86.4-3.4175.679.70000113.3G422 V423G422-S425 PolarHBondContact O-N 3.39Å; G422-S425 PolarHBondContact O-OG 2.91Å; V423-S425 PolarHBondContact O-N 3.35Å
426L92.5Very high91.7Very high8 Ų868.4 Ų68.44%0.04235%0.348CS..SBendtrans-73.3158.2174.9-64.6175.3000110.6V413 V415 F420 V423 K424 H428 A437 Y449 V451V413-L426 HydrophobicContact CB-CD2 4.38Å; V413-L426 HydrophobicContact CG1-CD2 4.19Å; V415-L426 HydrophobicContact CG1-CD2 4.26Å; F420-L426 HydrophobicContact CE2-CD2 3.81Å; F420-L426 HydrophobicContact CE2-CG 4.09Å; F420-L426 HydrophobicContact CZ-CD2 4.43Å; F420-L426 HydrophobicContact CZ-CG 4.44Å; V423-L426 HydrophobicContact CB-CD1 4.48Å; V423-L426 HydrophobicContact CG1-CD1 4.13Å; V423-L426 WeakPolarHBondContact O-CB 3.16Å; V423-L426 PolarHBondContact O-N 2.72Å; V423-L426 VanDerWaalsContact O-N 3.09Å; K424-L426 VanDerWaalsContact C-N 3.33Å; L426-H428 PolarHBondContact O-N 3.02Å; L426-A437 HydrophobicContact CD1-CB 3.63Å; L426-Y449 HydrophobicContact CD1-CD1 4.48Å; L426-V451 HydrophobicContact CD1-CG2 4.06Å
427P93.5Very high91.8Very high27 Ų2764.9 Ų64.918%0.17533%0.33CS..  trans-51.9138.4173.9-25.634.7000111.3Y392 M396 F411 V413 M453Y392-P427 HydrophobicContact CD1-CG 4.42Å; Y392-P427 HydrophobicContact CG-CG 4.09Å; M396-P427 HydrophobicContact CE-CB 3.61Å; M396-P427 HydrophobicContact SD-CB 3.72Å; F411-P427 HydrophobicContact CE2-CG 4.44Å; V413-P427 HydrophobicContact CG1-CG 4.27Å; V413-P427 HydrophobicContact CG2-CG 4.11Å; P427-M453 WeakPolarHBondContact O-CE 3.4Å
428H93.4Very high91.9Very high150 Ų15062.5 Ų62.569%0.69432%0.322SS*.  trans-138.8159179.161.4-86.8000110.2M396 L426M396-H428 VanDerWaalsContact CE-O 3.28Å; M396-H428 WeakPolarHBondContact CE-O 3.38Å; L426-H428 PolarHBondContact O-N 3.02Å
429H95Very high92Very high48 Ų4857.7 Ų57.722%0.22229%0.287CS..  trans-154.2140.2-179.2-176.8-81000110.4M396 N431 F432M396-H429 HydrophobicContact CB-CB 4.05Å; M396-H429 HydrophobicContact CG-CB 4.47Å; M396-H429 HydrophobicContact SD-CB 3.94Å; H429-N431 VanDerWaalsContact C-N 3.28Å; H429-N431 PolarHBondContact ND1-N 3.34Å; H429-N431 PolarHBondContact O-N 3.31Å; H429-F432 HydrophobicContact CB-CD2 3.92Å; H429-F432 AromaticContact CG-CD2 3.97Å; H429-F432 AromaticContact ND1-CD2 3.64Å; H429-F432 PolarHBondContact O-N 3.16Å; H429-F432 VanDerWaalsContact O-O 3.05Å
430L94.1Very high92.1Very high139 Ų13953.5 Ų53.573%0.72827%0.268SS*.THydrogen-bonded Turntrans-48.2-44-177.8157.569.2000113.9F432L430-F432 PolarHBondContact O-N 2.9Å
431N95Very high92.2Very high45 Ų4555.7 Ų55.724%0.24128%0.284CS..THydrogen-bonded Turntrans-80.34.4-176.8-64.4-8.6000113.7A400 H429 K455 L456A400-N431 HydrophobicContact CB-CB 4.34Å; H429-N431 VanDerWaalsContact C-N 3.28Å; H429-N431 PolarHBondContact ND1-N 3.34Å; H429-N431 PolarHBondContact O-N 3.31Å; N431-K455 CarbonylContact O-C 3.56Å; N431-K455 WeakPolarHBondContact O-CA 3.09Å; N431-L456 PolarHBondContact O-N 3.44Å
432F95.7Very high92.3Very high16 Ų1651.2 Ų51.27%0.0726%0.261CS..EExtended strand (participates in β ladder)trans-128.2139-174.9-73.7-77.8000111.3A399 A400 L403 L409 H429 L430 M453 V454 K455A399-F432 HydrophobicContact CB-CE2 4.22Å; A399-F432 HydrophobicContact CB-CZ 3.75Å; A400-F432 HydrophobicContact CB-CE2 3.82Å; A400-F432 HydrophobicContact CB-CZ 4.5Å; L403-F432 HydrophobicContact CD1-CE1 3.75Å; L403-F432 HydrophobicContact CD1-CZ 3.94Å; L409-F432 HydrophobicContact CB-CD1 4.39Å; L409-F432 HydrophobicContact CB-CE1 3.88Å; L409-F432 HydrophobicContact CB-CZ 4.38Å; L409-F432 HydrophobicContact CD2-CE1 4.34Å; L409-F432 HydrophobicContact CD2-CE2 4.43Å; L409-F432 HydrophobicContact CD2-CZ 4.21Å; H429-F432 HydrophobicContact CB-CD2 3.92Å; H429-F432 AromaticContact CG-CD2 3.97Å; H429-F432 AromaticContact ND1-CD2 3.64Å; H429-F432 PolarHBondContact O-N 3.16Å; H429-F432 VanDerWaalsContact O-O 3.05Å; L430-F432 PolarHBondContact O-N 2.9Å; F432-M453 HydrophobicContact CB-CB 4.16Å; F432-M453 HydrophobicContact CB-SD 3.81Å; F432-M453 HydrophobicContact CD1-CB 3.93Å; F432-M453 HydrophobicContact CG-CB 4.36Å; F432-M453 HydrophobicContact CG-SD 4.22Å; F432-V454 WeakPolarHBondContact CA-O 3.44Å; F432-K455 HydrophobicContact CD1-CB 4.15Å; F432-K455 HydrophobicContact CE1-CB 3.67Å; F432-K455 HydrophobicContact CE1-CG 4.35Å; F432-K455 HydrophobicContact CZ-CB 4.31Å
433R94.1Very high92.4Very high104 Ų10454.1 Ų54.139%0.39227%0.273SS..EExtended strand (participates in β ladder)trans-105.9129.5166.8179.2169.967.9122.8-2.5109.4L435 M453 V454 L456 D471R433-L435 PolarHBondContact O-N 3.16Å; R433-M453 CarbonylContact O-C 3.58Å; R433-M453 VanDerWaalsContact O-CA 3.25Å; R433-M453 WeakPolarHBondContact O-CA 3.22Å; R433-V454 HydrophobicContact CB-CG1 4Å; R433-V454 PolarHBondContact N-O 3.04Å; R433-V454 PolarHBondContact O-N 3.18Å; R433-L456 HydrophobicContact CB-CD2 3.78Å; R433-L456 HydrophobicContact CB-CG 4.36Å; R433-D471 IonicContact CZ-OD2 2.68Å; R433-D471 VanDerWaalsContact NH1-CB 3.29Å; R433-D471 IonicContact NH1-OD2 3.65Å; R433-D471 PolarHBondContact NH1-OD2 3.4Å
434L94.7Very high92.7Very high34 Ų3458.4 Ų58.418%0.17830%0.3CS..EExtended strand (participates in β ladder)trans-69.8126.5173.7-178.166.9000109.4V423 A436 V451 M453 L472V423-L434 HydrophobicContact CG1-CD2 3.19Å; L434-A436 WeakPolarHBondContact CD1-O 3.27Å; L434-V451 HydrophobicContact CD1-CG1 3.61Å; L434-M453 HydrophobicContact CD1-CE 4.33Å; L434-M453 HydrophobicContact CD1-CG 4.1Å; L434-L472 HydrophobicContact CB-CD2 4.16Å; L434-L472 HydrophobicContact CD2-CD2 3.8Å; L434-L472 HydrophobicContact CG-CD2 4.11Å
435L93.5Very high93Very high14 Ų1458.7 Ų58.77%0.07330%0.296CS..EExtended strand (participates in β ladder)trans-99.7-48.2175.6-63.7-179.8000111.1R433 V452 V454 I473R433-L435 PolarHBondContact O-N 3.16Å; L435-V452 WeakPolarHBondContact CA-O 3.34Å; L435-V452 HydrophobicContact CB-CG1 4.32Å; L435-V452 WeakPolarHBondContact CB-O 3.49Å; L435-V452 HydrophobicContact CD1-CG1 4.46Å; L435-V452 PolarHBondContact N-O 3.2Å; L435-V454 HydrophobicContact CD1-CB 3.8Å; L435-V454 HydrophobicContact CD1-CG1 3.9Å; L435-V454 HydrophobicContact CD2-CG1 3.88Å; L435-V454 HydrophobicContact CG-CB 4.29Å; L435-V454 HydrophobicContact CG-CG1 3.92Å; L435-I473 WeakPolarHBondContact O-CB 3.34Å; L435-I473 WeakPolarHBondContact O-CD1 3.31Å; L435-I473 PolarHBondContact O-N 3.39Å; L435-I473 WeakPolarHBondContact O-CG1 3.47Å; L435-I473 VanDerWaalsContact O-N 3.09Å
436A93.2Very high93.2Very high1 Ų156.1 Ų56.11%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-149.2154.6-179.100000112.8I19 L434 V452 I473I19-A436 HydrophobicContact CB-CB 4.2Å; I19-A436 HydrophobicContact CD1-CB 3.69Å; I19-A436 HydrophobicContact CG1-CB 3.73Å; L434-A436 WeakPolarHBondContact CD1-O 3.27Å; A436-V452 HydrophobicContact CB-CB 4.28Å; A436-V452 HydrophobicContact CB-CG2 4.42Å; A436-V452 PolarHBondContact N-O 3.37Å; A436-V452 PolarHBondContact O-N 3.44Å; A436-I473 HydrophobicContact CB-CB 4.16Å; A436-I473 HydrophobicContact CB-CD1 4.47Å; A436-I473 HydrophobicContact CB-CG2 4.38Å
437A94.5Very high93.3Very high1 Ų155.7 Ų55.71%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-137.6101.7171.200000110.2V423 L426 Y449 L450 A476V423-A437 HydrophobicContact CG1-CB 4.01Å; V423-A437 HydrophobicContact CG2-CB 4Å; L426-A437 HydrophobicContact CD1-CB 3.63Å; A437-Y449 HydrophobicContact CB-CD1 4.11Å; A437-L450 CarbonylContact C-O 3.53Å; A437-L450 VanDerWaalsContact CA-O 3.3Å; A437-L450 WeakPolarHBondContact CA-O 3.3Å; A437-A476 PolarHBondContact O-N 3.17Å
438C93.2Very high93.3Very high7 Ų755 Ų555%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-103.7114.7-175.5-61.80000111.7N15 F16 Y449 L450N15-C438 PolarHBondContact O-SG 3.15Å; N15-C438 VanDerWaalsContact O-SG 3.37Å; F16-C438 HydrophobicContact CD1-CB 3.72Å; F16-C438 HydrophobicContact CD2-CB 4.3Å; F16-C438 HydrophobicContact CE1-CB 3.47Å; F16-C438 VanDerWaalsContact CE1-CB 3.47Å; F16-C438 HydrophobicContact CE2-CB 4.07Å; F16-C438 HydrophobicContact CG-CB 4.14Å; F16-C438 HydrophobicContact CZ-CB 3.63Å; C438-Y449 WeakPolarHBondContact O-CA 3.37Å; C438-Y449 CarbonylContact O-C 3.41Å; C438-L450 HydrophobicContact CB-CB 4.3Å; C438-L450 PolarHBondContact N-O 2.73Å; C438-L450 PolarHBondContact O-N 3.39Å
439E92.8Very high93.4Very high8 Ų847.9 Ų47.94%0.03724%0.236CC..EExtended strand (participates in β ladder)trans-69.4139.9176.6-173.2174.6-149.400113.2N15 S447 R448 Y449 A476 Y478N15-E439 PolarHBondContact ND2-N 3.25Å; N15-E439 PolarHBondContact ND2-O 3.44Å; E439-S447 WeakPolarHBondContact OE1-CB 3.46Å; E439-S447 PolarHBondContact OE1-OG 2.59Å; E439-S447 VanDerWaalsContact OE1-OG 3.11Å; E439-R448 CarbonylContact C-O 3.59Å; E439-R448 WeakPolarHBondContact CA-O 3.44Å; E439-Y449 HydrophobicContact CB-CD1 4.15Å; E439-Y449 PolarHBondContact OE2-OH 2.81Å; E439-Y449 PolarHBondContact OE1-OH 2.89Å; E439-Y449 HydrophobicContact CG-CE2 3.82Å; E439-Y449 HydrophobicContact CG-CE1 4.36Å; E439-Y449 VanDerWaalsContact CD-OH 3.24Å; E439-Y449 HydrophobicContact CB-CE2 4.01Å; E439-Y449 HydrophobicContact CB-CE1 3.66Å; E439-Y449 HydrophobicContact CG-CD2 4.5Å; E439-A476 WeakPolarHBondContact CB-O 3.46Å; E439-Y478 WeakPolarHBondContact OE2-CA 3.33Å; E439-Y478 VanDerWaalsContact OE2-CB 3.27Å; E439-Y478 WeakPolarHBondContact OE2-CB 3.42Å; E439-Y478 PolarHBondContact OE2-N 2.84Å
440Q93.1Very high93.5Very high42 Ų4245.6 Ų45.620%0.19623%0.226CC..EExtended strand (participates in β ladder)trans-122.7116.7159.1-175.7-176.320.800108.8F16 W412 L442 S447 R448F16-Q440 HydrophobicContact CZ-CB 4.44Å; W412-Q440 HydrophobicContact CH2-CB 4.02Å; W412-Q440 HydrophobicContact CZ3-CB 3.9Å; Q440-L442 PolarHBondContact O-N 2.82Å; Q440-S447 WeakPolarHBondContact O-CA 3.24Å; Q440-R448 HydrophobicContact CB-CG 4.09Å; Q440-R448 PolarHBondContact N-O 3.45Å; Q440-R448 PolarHBondContact O-N 3.01Å
441T91.9Very high93.6Very high76 Ų7639 Ų3947%0.46619%0.191SC..EExtended strand (participates in β ladder)trans-68.1122.7172.6-53.20000110.3N443 S447T441-N443 VanDerWaalsContact CG2-O 3.26Å; T441-N443 WeakPolarHBondContact CG2-O 3.49Å; T441-S447 WeakPolarHBondContact CA-OG 3.49Å
442L90Very high93.7Very high65 Ų6536.9 Ų36.934%0.3418%0.179SC..  trans-91.3-45.2176.7-64.2176.9000110.9Y318 F320 Q440 T446 R448Y318-L442 HydrophobicContact CE2-CD1 4.27Å; F320-L442 HydrophobicContact CE2-CD1 4.18Å; F320-L442 HydrophobicContact CZ-CD1 3.75Å; Q440-L442 PolarHBondContact O-N 2.82Å; L442-T446 PolarHBondContact N-O 3.37Å; L442-R448 HydrophobicContact CD1-CG 4.07Å; L442-R448 HydrophobicContact CD1-CB 4.22Å; L442-R448 HydrophobicContact CG-CG 4.01Å; L442-R448 HydrophobicContact CD2-CG 3.98Å
443N90.8Very high93.8Very high75 Ų7536.3 Ų36.340%0.40118%0.177SC..SBendtrans-154.8-169.5175.161.758000110.2T441 R445 T446T441-N443 VanDerWaalsContact CG2-O 3.26Å; T441-N443 WeakPolarHBondContact CG2-O 3.49Å; N443-R445 VanDerWaalsContact C-N 3.25Å; N443-R445 PolarHBondContact O-N 3.45Å; N443-R445 WeakPolarHBondContact OD1-CA 3.33Å; N443-R445 PolarHBondContact OD1-N 2.85Å; N443-T446 PolarHBondContact N-O 3.01Å; N443-T446 PolarHBondContact ND2-OG1 2.72Å; N443-T446 PolarHBondContact OD1-N 3.35Å; N443-T446 PolarHBondContact OD1-OG1 2.88Å
444T90.5Very high93.9Very high112 Ų11231.8 Ų31.869%0.68716%0.161SC*.SBendtrans-62.8-29.4-177.551.80000113.9R417R417-T444 PolarHBondContact NH1-O 3.31Å
445R92.8Very high94Very high191 Ų19131.4 Ų31.472%0.72116%0.158SC*.SBendtrans-102.6-34.3-174.8-62.4-176-179.7-176.8-0.2113.4R417 N443R417-R445 WeakPolarHBondContact CB-O 3.39Å; R417-R445 WeakPolarHBondContact CG-O 3.32Å; R417-R445 PolarHBondContact N-O 3.48Å; N443-R445 VanDerWaalsContact C-N 3.25Å; N443-R445 PolarHBondContact O-N 3.45Å; N443-R445 WeakPolarHBondContact OD1-CA 3.33Å; N443-R445 PolarHBondContact OD1-N 2.85Å
446T92.7Very high94.1Very high15 Ų1532.7 Ų32.79%0.09217%0.165CC..EExtended strand (participates in β ladder)trans-118.7146.2-171.973.90000112.1V415 L416 L442 N443V415-T446 WeakPolarHBondContact O-CA 3.39Å; L416-T446 HydrophobicContact CD2-CG2 3.89Å; L442-T446 PolarHBondContact N-O 3.37Å; N443-T446 PolarHBondContact N-O 3.01Å; N443-T446 PolarHBondContact ND2-OG1 2.72Å; N443-T446 PolarHBondContact OD1-N 3.35Å; N443-T446 PolarHBondContact OD1-OG1 2.88Å
447S93.9Very high93.9Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-135.9168.7170.6-66.40000108.8V415 R417 E439 Q440 T441V415-S447 PolarHBondContact N-O 3.11Å; V415-S447 PolarHBondContact O-N 2.92Å; V415-S447 VanDerWaalsContact O-O 3.13Å; R417-S447 WeakPolarHBondContact CD-OG 3.31Å; R417-S447 VanDerWaalsContact CG-OG 3.31Å; R417-S447 WeakPolarHBondContact CG-OG 3.46Å; E439-S447 WeakPolarHBondContact OE1-CB 3.46Å; E439-S447 PolarHBondContact OE1-OG 2.59Å; E439-S447 VanDerWaalsContact OE1-OG 3.11Å; Q440-S447 WeakPolarHBondContact O-CA 3.24Å; T441-S447 WeakPolarHBondContact CA-OG 3.49Å
448R94.2Very high93.1Very high12 Ų1238 Ų385%0.04520%0.196CC..EExtended strand (participates in β ladder)trans-131.2146.8170.258.2174.5-177.7178.27.7109.7D315 Y318 W412 V413 E439 Q440 L442D315-R448 IonicContact OD2-NH1 2.86Å; D315-R448 PolarHBondContact OD2-NH1 3.17Å; Y318-R448 HydrophobicContact CE2-CB 4.41Å; Y318-R448 WeakPolarHBondContact OH-CD 3.39Å; Y318-R448 PolarHBondContact OH-NH1 3Å; W412-R448 HydrophobicContact CD2-CG 4.35Å; W412-R448 HydrophobicContact CE3-CB 3.88Å; W412-R448 VanDerWaalsContact CE3-CD 3.48Å; W412-R448 HydrophobicContact CE3-CG 3.48Å; W412-R448 VanDerWaalsContact CE3-CG 3.48Å; W412-R448 HydrophobicContact CZ3-CB 4.4Å; W412-R448 HydrophobicContact CZ3-CG 3.67Å; V413-R448 CarbonylContact O-C 3.56Å; V413-R448 WeakPolarHBondContact O-CA 3.08Å; E439-R448 CarbonylContact C-O 3.59Å; E439-R448 WeakPolarHBondContact CA-O 3.44Å; Q440-R448 HydrophobicContact CB-CG 4.09Å; Q440-R448 PolarHBondContact N-O 3.45Å; Q440-R448 PolarHBondContact O-N 3.01Å; L442-R448 HydrophobicContact CD1-CG 4.07Å; L442-R448 HydrophobicContact CD1-CB 4.22Å; L442-R448 HydrophobicContact CG-CG 4.01Å; L442-R448 HydrophobicContact CD2-CG 3.98Å
449Y95.3Very high92Very high0 Ų043.6 Ų43.60%023%0.225CC..EExtended strand (participates in β ladder)trans-109.7128.4178.3-77.7-104.9000109.2W412 V413 V415 F420 L426 A437 C438 E439 V451 A476W412-Y449 CarbonylContact C-O 3.52Å; W412-Y449 WeakPolarHBondContact CA-O 2.95Å; V413-Y449 PolarHBondContact N-O 3.42Å; V413-Y449 PolarHBondContact O-N 3.06Å; V415-Y449 HydrophobicContact CG1-CD2 4.14Å; V415-Y449 HydrophobicContact CG2-CD2 3.73Å; V415-Y449 HydrophobicContact CG2-CE2 3.51Å; F420-Y449 HydrophobicContact CD1-CE2 4.12Å; F420-Y449 AromaticContact CD1-CZ 3.86Å; F420-Y449 WeakPolarHBondContact CD1-OH 2.73Å; F420-Y449 AromaticContact CE1-CE1 3.76Å; F420-Y449 HydrophobicContact CE1-CE1 3.76Å; F420-Y449 AromaticContact CE1-CE2 3.8Å; F420-Y449 HydrophobicContact CE1-CE2 3.8Å; F420-Y449 AromaticContact CE1-CZ 3.25Å; F420-Y449 WeakPolarHBondContact CE1-OH 3.36Å; F420-Y449 HydrophobicContact CE2-CE2 4.3Å; F420-Y449 HydrophobicContact CG-CE2 4.47Å; F420-Y449 HydrophobicContact CZ-CD1 4.32Å; F420-Y449 HydrophobicContact CZ-CD2 4.35Å; F420-Y449 AromaticContact CZ-CE1 3.8Å; F420-Y449 HydrophobicContact CZ-CE1 3.8Å; F420-Y449 AromaticContact CZ-CE2 3.9Å; F420-Y449 HydrophobicContact CZ-CE2 3.9Å; F420-Y449 AromaticContact CZ-CZ 3.59Å; L426-Y449 HydrophobicContact CD1-CD1 4.48Å; A437-Y449 HydrophobicContact CB-CD1 4.11Å; C438-Y449 WeakPolarHBondContact O-CA 3.37Å; C438-Y449 CarbonylContact O-C 3.41Å; E439-Y449 HydrophobicContact CB-CD1 4.15Å; E439-Y449 PolarHBondContact OE2-OH 2.81Å; E439-Y449 PolarHBondContact OE1-OH 2.89Å; E439-Y449 HydrophobicContact CG-CE2 3.82Å; E439-Y449 HydrophobicContact CG-CE1 4.36Å; E439-Y449 VanDerWaalsContact CD-OH 3.24Å; E439-Y449 HydrophobicContact CB-CE2 4.01Å; E439-Y449 HydrophobicContact CB-CE1 3.66Å; E439-Y449 HydrophobicContact CG-CD2 4.5Å; Y449-V451 PolarHBondContact O-N 3.19Å; Y449-A476 WeakPolarHBondContact CE1-O 2.95Å
450L97Very high90.5Very high1 Ų148.7 Ų48.71%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-78109.9165.3-179.668.2000107.2F16 I210 M211 V214 V410 W412 A437 C438 V452F16-L450 HydrophobicContact CD1-CD2 3.85Å; F16-L450 HydrophobicContact CE1-CB 3.78Å; F16-L450 HydrophobicContact CE1-CD2 3.68Å; F16-L450 HydrophobicContact CE1-CG 4.38Å; I210-L450 HydrophobicContact CG2-CD2 4.31Å; M211-L450 HydrophobicContact CE-CD1 4.4Å; M211-L450 HydrophobicContact CG-CD1 3.79Å; M211-L450 HydrophobicContact CG-CD2 4.48Å; M211-L450 HydrophobicContact SD-CD1 4.38Å; V214-L450 HydrophobicContact CG2-CD2 4.38Å; V410-L450 HydrophobicContact CG1-CD1 3.61Å; V410-L450 HydrophobicContact CG1-CG 4.3Å; W412-L450 HydrophobicContact CD2-CB 4.23Å; W412-L450 HydrophobicContact CD2-CD1 4.15Å; W412-L450 HydrophobicContact CE3-CB 3.94Å; W412-L450 VanDerWaalsContact CE3-N 3.27Å; W412-L450 HydrophobicContact CH2-CB 3.7Å; W412-L450 HydrophobicContact CZ2-CB 3.96Å; W412-L450 HydrophobicContact CZ2-CD1 4.05Å; W412-L450 HydrophobicContact CZ2-CG 4.44Å; W412-L450 HydrophobicContact CZ3-CB 3.67Å; W412-L450 VanDerWaalsContact CZ3-N 3.27Å; A437-L450 CarbonylContact C-O 3.53Å; A437-L450 VanDerWaalsContact CA-O 3.3Å; A437-L450 WeakPolarHBondContact CA-O 3.3Å; C438-L450 HydrophobicContact CB-CB 4.3Å; C438-L450 PolarHBondContact N-O 2.73Å; C438-L450 PolarHBondContact O-N 3.39Å; L450-V452 HydrophobicContact CG-CG2 4.39Å
451V96.8Very high88.6Confident0 Ų051 Ų510%026%0.26CS..EExtended strand (participates in β ladder)trans-97.3124.8-179.5-178.60000108.4V410 F411 V413 L426 L434 Y449 M453V410-V451 WeakPolarHBondContact CA-O 3.04Å; F411-V451 HydrophobicContact CD1-CB 4.15Å; F411-V451 HydrophobicContact CD1-CG1 4.33Å; F411-V451 HydrophobicContact CD2-CB 4.45Å; F411-V451 HydrophobicContact CE1-CB 3.84Å; F411-V451 HydrophobicContact CE1-CG1 3.58Å; F411-V451 HydrophobicContact CE2-CB 4.18Å; F411-V451 HydrophobicContact CE2-CG1 4.36Å; F411-V451 HydrophobicContact CE2-CG2 4.45Å; F411-V451 HydrophobicContact CG-CB 4.47Å; F411-V451 HydrophobicContact CZ-CB 3.86Å; F411-V451 HydrophobicContact CZ-CG1 3.6Å; F411-V451 HydrophobicContact CZ-CG2 4.47Å; F411-V451 PolarHBondContact N-O 2.98Å; F411-V451 PolarHBondContact O-N 3.15Å; V413-V451 HydrophobicContact CB-CG2 4.34Å; V413-V451 HydrophobicContact CG2-CG2 3.71Å; L426-V451 HydrophobicContact CD1-CG2 4.06Å; L434-V451 HydrophobicContact CD1-CG1 3.61Å; Y449-V451 PolarHBondContact O-N 3.19Å; V451-M453 HydrophobicContact CG1-CE 3.72Å; V451-M453 HydrophobicContact CG1-CG 4.07Å
452V97.8Very high86.6Confident0 Ų054.6 Ų54.60%028%0.276CS..EExtended strand (participates in β ladder)trans-117.7120.2178.1-176.40000108.1I19 V214 V410 L435 A436 L450I19-V452 HydrophobicContact CG1-CG2 4.4Å; V214-V452 HydrophobicContact CB-CG1 4.48Å; V214-V452 HydrophobicContact CB-CG2 4.17Å; V214-V452 HydrophobicContact CG2-CG2 3.74Å; V410-V452 HydrophobicContact CG1-CG2 4.36Å; V410-V452 HydrophobicContact CG2-CG1 4.31Å; L435-V452 WeakPolarHBondContact CA-O 3.34Å; L435-V452 HydrophobicContact CB-CG1 4.32Å; L435-V452 WeakPolarHBondContact CB-O 3.49Å; L435-V452 HydrophobicContact CD1-CG1 4.46Å; L435-V452 PolarHBondContact N-O 3.2Å; A436-V452 HydrophobicContact CB-CB 4.28Å; A436-V452 HydrophobicContact CB-CG2 4.42Å; A436-V452 PolarHBondContact N-O 3.37Å; A436-V452 PolarHBondContact O-N 3.44Å; L450-V452 HydrophobicContact CG-CG2 4.39Å
453M97.1Very high84.4Confident4 Ų458.3 Ų58.32%0.0230%0.296CS..EExtended strand (participates in β ladder)trans-125.7153.8178.4-61.4-178.817400111.2M396 R408 L409 F411 P427 F432 R433 L434 V451M396-M453 HydrophobicContact SD-CE 4.4Å; R408-M453 WeakPolarHBondContact CA-O 3.23Å; R408-M453 WeakPolarHBondContact CD-O 3.3Å; L409-M453 HydrophobicContact CB-CB 4.35Å; L409-M453 HydrophobicContact CD2-SD 4.4Å; L409-M453 PolarHBondContact N-O 3.4Å; L409-M453 PolarHBondContact O-N 3Å; F411-M453 HydrophobicContact CE1-CE 4.2Å; F411-M453 HydrophobicContact CE1-CG 4.47Å; F411-M453 HydrophobicContact CE1-SD 4.08Å; F411-M453 HydrophobicContact CZ-CE 4.04Å; F411-M453 HydrophobicContact CZ-SD 4.43Å; P427-M453 WeakPolarHBondContact O-CE 3.4Å; F432-M453 HydrophobicContact CB-CB 4.16Å; F432-M453 HydrophobicContact CB-SD 3.81Å; F432-M453 HydrophobicContact CD1-CB 3.93Å; F432-M453 HydrophobicContact CG-CB 4.36Å; F432-M453 HydrophobicContact CG-SD 4.22Å; R433-M453 CarbonylContact O-C 3.58Å; R433-M453 VanDerWaalsContact O-CA 3.25Å; R433-M453 WeakPolarHBondContact O-CA 3.22Å; L434-M453 HydrophobicContact CD1-CE 4.33Å; L434-M453 HydrophobicContact CD1-CG 4.1Å; V451-M453 HydrophobicContact CG1-CE 3.72Å; V451-M453 HydrophobicContact CG1-CG 4.07Å
454V96.9Very high82Confident10 Ų1059.2 Ų59.26%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-113133.5170.660.50000110.3G407 F432 R433 L435 L456G407-V454 WeakPolarHBondContact O-CA 3.46Å; F432-V454 WeakPolarHBondContact CA-O 3.44Å; R433-V454 HydrophobicContact CB-CG1 4Å; R433-V454 PolarHBondContact N-O 3.04Å; R433-V454 PolarHBondContact O-N 3.18Å; L435-V454 HydrophobicContact CD1-CB 3.8Å; L435-V454 HydrophobicContact CD1-CG1 3.9Å; L435-V454 HydrophobicContact CD2-CG1 3.88Å; L435-V454 HydrophobicContact CG-CB 4.29Å; L435-V454 HydrophobicContact CG-CG1 3.92Å; V454-L456 PolarHBondContact O-N 3.32Å
455K96.8Very high79.4Confident25 Ų2560 Ų6011%0.10931%0.314CS..EExtended strand (participates in β ladder)trans-70.3125.4173-177.5171.4168179.50109.3A400 L403 N406 G407 N431 F432A400-K455 VanDerWaalsContact O-CE 3.24Å; A400-K455 WeakPolarHBondContact O-CE 3.36Å; A400-K455 PolarHBondContact O-NZ 3Å; L403-K455 HydrophobicContact CB-CB 4.32Å; L403-K455 HydrophobicContact CB-CD 3.72Å; L403-K455 VanDerWaalsContact O-CD 3.27Å; L403-K455 WeakPolarHBondContact O-CD 3.39Å; L403-K455 WeakPolarHBondContact O-CE 3.25Å; L403-K455 PolarHBondContact O-NZ 2.93Å; N406-K455 WeakPolarHBondContact CA-O 3.32Å; N406-K455 PolarHBondContact N-O 3.12Å; G407-K455 PolarHBondContact O-N 3.01Å; N431-K455 CarbonylContact O-C 3.56Å; N431-K455 WeakPolarHBondContact O-CA 3.09Å; F432-K455 HydrophobicContact CD1-CB 4.15Å; F432-K455 HydrophobicContact CE1-CB 3.67Å; F432-K455 HydrophobicContact CE1-CG 4.35Å; F432-K455 HydrophobicContact CZ-CB 4.31Å
456L95Very high77Confident41 Ų4155.2 Ų55.222%0.21531%0.31CS..  trans-72.1140.4179.6-62.1174.3000110.6N431 R433 V454N431-L456 PolarHBondContact O-N 3.44Å; R433-L456 HydrophobicContact CB-CD2 3.78Å; R433-L456 HydrophobicContact CB-CG 4.36Å; V454-L456 PolarHBondContact O-N 3.32Å
457D88.6Confident74.4Confident28 Ų2860.9 Ų60.915%0.1534%0.339CS..  trans-84.4108170-173.5-6.2000109.3P405 N459 Q460 Q461P405-D457 HydrophobicContact CB-CB 3.91Å; D457-N459 PolarHBondContact O-N 2.97Å; D457-N459 WeakPolarHBondContact OD1-CB 3.36Å; D457-N459 PolarHBondContact OD1-N 3.32Å; D457-Q460 VanDerWaalsContact OD2-NE2 3.12Å; D457-Q460 PolarHBondContact OD2-NE2 3.2Å; D457-Q460 PolarHBondContact O-N 3.01Å; D457-Q460 HydrophobicContact CB-CG 4.02Å; D457-Q460 HydrophobicContact CB-CB 4.21Å; D457-Q460 WeakPolarHBondContact OD2-CG 3.48Å; D457-Q461 PolarHBondContact O-N 3.13Å
458T78.6Confident72.1Confident85 Ų8569.5 Ų69.552%0.52138%0.38SS..Hα-helixtrans-60.7-24.1179.942.60000112.8
459N69.9Low69.6Low125 Ų12575 Ų7567%0.66841%0.41SS*.Hα-helixtrans-74.5-26.5175.6-65.3-38.5000112.6D457D457-N459 PolarHBondContact O-N 2.97Å; D457-N459 WeakPolarHBondContact OD1-CB 3.36Å; D457-N459 PolarHBondContact OD1-N 3.32Å
460Q61.2Low67.1Low115 Ų11581.2 Ų81.254%0.53744%0.443SS..Hα-helixtrans-85.7-27.8178.2-65.3-178.522.200112.7D457 L462 N463D457-Q460 VanDerWaalsContact OD2-NE2 3.12Å; D457-Q460 PolarHBondContact OD2-NE2 3.2Å; D457-Q460 PolarHBondContact O-N 3.01Å; D457-Q460 HydrophobicContact CB-CG 4.02Å; D457-Q460 HydrophobicContact CB-CB 4.21Å; D457-Q460 WeakPolarHBondContact OD2-CG 3.48Å; Q460-L462 PolarHBondContact O-N 3.46Å; Q460-N463 PolarHBondContact O-N 2.79Å; Q460-N463 VanDerWaalsContact O-N 3.15Å
461Q53.2Low64.6Low91 Ų9184.9 Ų84.943%0.42546%0.463SS..Hα-helixtrans-61.9-27.4179-75.4-171.2-22.800114.1D457 N463D457-Q461 PolarHBondContact O-N 3.13Å; Q461-N463 PolarHBondContact O-N 3.01Å; Q461-N463 VanDerWaalsContact O-N 3.1Å
462L50.4Low62.2Low151 Ų15188.5 Ų88.579%0.79148%0.482SS*.THydrogen-bonded Turntrans-63.3-15.4177.1-72.4170.1000113.3Q460Q460-L462 PolarHBondContact O-N 3.46Å
463N42.4Very low59.9Low144 Ų14489.6 Ų89.677%0.7749%0.488SS*.THydrogen-bonded Turntrans-1160.1-172.2-75.2-23.6000115.7Q460 Q461Q460-N463 PolarHBondContact O-N 2.79Å; Q460-N463 VanDerWaalsContact O-N 3.15Å; Q461-N463 PolarHBondContact O-N 3.01Å; Q461-N463 VanDerWaalsContact O-N 3.1Å
464V40.2Very low57.4Low94 Ų9496.1 Ų96.157%0.5752%0.516SS*.  trans-138.9113-176-1690000112.4S466V464-S466 PolarHBondContact O-N 2.61Å
465S36.7Very low54.9Low129 Ų12998 Ų9890%0.90253%0.529SS*.  trans-78.887.6159.3560000108.8
466S42.5Very low52.3Low90 Ų9097.2 Ų97.263%0.62953%0.526SS*.  trans-96.8135.8-179.147.40000112.3V464 E468V464-S466 PolarHBondContact O-N 2.61Å; S466-E468 PolarHBondContact O-N 3.05Å
467N38.8Very low49.4Very low133 Ų13397.5 Ų97.571%0.71153%0.53SS*.  trans-58.3111.5168.4-77.9-26.2000109.8N469N467-N469 PolarHBondContact O-N 2.78Å
468E44.3Very low46.9Very low181 Ų181100 Ų10085%0.84654%0.538SS*.THydrogen-bonded Turntrans-62.4-9.7179.8-72.1-174.2151.100114.6S466S466-E468 PolarHBondContact O-N 3.05Å
469N42Very low44.4Very low127 Ų12799.9 Ų99.968%0.67955%0.545SS*.THydrogen-bonded Turntrans-93.6-19.5-169-76-29.5000115.8N467 D471N467-N469 PolarHBondContact O-N 2.78Å; N469-D471 PolarHBondContact O-N 2.81Å
470D43.5Very low42.4Very low131 Ų131105.4 Ų105.470%0.70156%0.564SS**THydrogen-bonded Turntrans-83.2-13.9-166.5-73.1-21.5000114.6
471D44.1Very low41.4Very low79 Ų79105 Ų10542%0.42257%0.565SS.*THydrogen-bonded Turntrans-117.44.2-169.9-97-19.6000115.5R433 N469 I473R433-D471 IonicContact CZ-OD2 2.68Å; R433-D471 VanDerWaalsContact NH1-CB 3.29Å; R433-D471 IonicContact NH1-OD2 3.65Å; R433-D471 PolarHBondContact NH1-OD2 3.4Å; N469-D471 PolarHBondContact O-N 2.81Å; D471-I473 PolarHBondContact O-N 3.12Å
472L46.1Very low40.8Very low75 Ų75105.7 Ų105.739%0.39357%0.572SS.*  trans-65.2103.1171.5-80170.5000108.4L434 F474L434-L472 HydrophobicContact CB-CD2 4.16Å; L434-L472 HydrophobicContact CD2-CD2 3.8Å; L434-L472 HydrophobicContact CG-CD2 4.11Å; L472-F474 PolarHBondContact O-N 3.44Å
473I50.5Low40.3Very low24 Ų24103.2 Ų103.212%0.12356%0.56CS.*EExtended strand (participates in β ladder)trans-63109.8168.4-57.6166.4000105.5W18 I19 K22 L435 A436 D471W18-I473 HydrophobicContact CG-CG2 4.44Å; I19-I473 HydrophobicContact CD1-CD1 3.61Å; K22-I473 HydrophobicContact CD-CD1 3.77Å; L435-I473 WeakPolarHBondContact O-CB 3.34Å; L435-I473 WeakPolarHBondContact O-CD1 3.31Å; L435-I473 PolarHBondContact O-N 3.39Å; L435-I473 WeakPolarHBondContact O-CG1 3.47Å; L435-I473 VanDerWaalsContact O-N 3.09Å; A436-I473 HydrophobicContact CB-CB 4.16Å; A436-I473 HydrophobicContact CB-CD1 4.47Å; A436-I473 HydrophobicContact CB-CG2 4.38Å; D471-I473 PolarHBondContact O-N 3.12Å
474F43.9Very low40.2Very low141 Ų141100.8 Ų100.862%0.61855%0.548SS*.EExtended strand (participates in β ladder)trans-21.2141.5-174.9-93.1-96.1000115.4L472 A476L472-F474 PolarHBondContact O-N 3.44Å; F474-A476 PolarHBondContact O-N 2.83Å; F474-A476 VanDerWaalsContact O-N 3.1Å
475P45Very low40.1Very low49 Ų49101.2 Ų101.232%0.31855%0.546SS..EExtended strand (participates in β ladder)trans-58.3122.6161.6-12.925.6000110.2V423 V477V423-P475 HydrophobicContact CB-CG 4.33Å; V423-P475 HydrophobicContact CG2-CB 3.4Å; V423-P475 HydrophobicContact CG2-CG 3.51Å; P475-V477 HydrophobicContact CB-CB 4.2Å; P475-V477 HydrophobicContact CB-CG2 3.29Å; P475-V477 HydrophobicContact CG-CG2 4.27Å; P475-V477 PolarHBondContact O-N 3.11Å
476A40.9Very low40.4Very low8 Ų899.3 Ų99.37%0.06652%0.523CS..EExtended strand (participates in β ladder)trans-7570.4143.600000107.6N15 A437 E439 Y449 F474 Y478N15-A476 HydrophobicContact CB-CB 3.57Å; N15-A476 WeakPolarHBondContact ND2-CB 3.36Å; A437-A476 PolarHBondContact O-N 3.17Å; E439-A476 WeakPolarHBondContact CB-O 3.46Å; Y449-A476 WeakPolarHBondContact CE1-O 2.95Å; F474-A476 PolarHBondContact O-N 2.83Å; F474-A476 VanDerWaalsContact O-N 3.1Å; A476-Y478 HydrophobicContact CB-CE2 4.12Å
477V35.4Very low40.2Very low47 Ų47100 Ų10029%0.28552%0.515SS..  trans-88.3111.1160.1-171.60000106.7F420 V423 P475F420-V477 HydrophobicContact CD1-CG1 3.91Å; F420-V477 HydrophobicContact CD1-CG2 4.36Å; F420-V477 HydrophobicContact CE1-CB 4.29Å; F420-V477 HydrophobicContact CE1-CG1 3.88Å; F420-V477 HydrophobicContact CE1-CG2 3.53Å; F420-V477 HydrophobicContact CZ-CG2 4.39Å; V423-V477 HydrophobicContact CG2-CG2 4.49Å; P475-V477 HydrophobicContact CB-CB 4.2Å; P475-V477 HydrophobicContact CB-CG2 3.29Å; P475-V477 HydrophobicContact CG-CG2 4.27Å; P475-V477 PolarHBondContact O-N 3.11Å
478Y35.8Very low40.3Very low81 Ų8197.5 Ų97.532%0.31850%0.5SS..  trans-99.681.2163.3-61.1-85000108.7N15 L42 R417 E439 A476N15-Y478 HydrophobicContact CB-CE2 3.98Å; L42-Y478 WeakPolarHBondContact CD2-OH 3.38Å; R417-Y478 PolarHBondContact NH2-O 3.42Å; E439-Y478 WeakPolarHBondContact OE2-CA 3.33Å; E439-Y478 VanDerWaalsContact OE2-CB 3.27Å; E439-Y478 WeakPolarHBondContact OE2-CB 3.42Å; E439-Y478 PolarHBondContact OE2-N 2.84Å; A476-Y478 HydrophobicContact CB-CE2 4.12Å
479A25.6Very low40Very low82 Ų8290.5 Ų90.568%0.67847%0.471SS*.  trans-75134.914800000106.9
480K27.3Very low39.8Very low242 Ų24287.2 Ų87.2100%1.05245%0.452SS*.  trans-52.50-179.4-87.2177.8170.9176.70113.1

Retrieved 480 of 480 residues in 147.5 ms (Link to these results)

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