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tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A

Catalytic subunit of tRNA (adenine-N(1)-)-methyltransferase, which catalyzes the formation of N(1)-methyladenine at position 58 (m1A58) in initiator methionyl-tRNA.

AlphaFold DB , UniProt , Accession C4QUG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 372 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
1M43.3Very low77.8Confident172 Ų17266.8 Ų66.885%0.84736%0.36SS*.  0126.90-89.5166.7168.100107.6P126 H127M1-P126 HydrophobicContact CE-CB 4.33Å; M1-P126 HydrophobicContact SD-CB 4.22Å; M1-H127 WeakPolarHBondContact CE-CE1 3.35Å; M1-H127 WeakPolarHBondContact CE-ND1 3.42Å
2S49.5Very low79.3Confident58 Ų5870.3 Ų70.341%0.40637%0.372SS..  trans-51.9134.5165.7-175.40000107.9D4S2-D4 PolarHBondContact O-N 3.48Å; S2-D4 VanDerWaalsContact O-N 3.16Å
3P58.4Low80.6Confident76 Ų7672.8 Ų72.849%0.49437%0.374SS..  trans-52.5125.8172.118.8-28.8000108.4A5 K8P3-A5 PolarHBondContact O-N 3.34Å; P3-K8 HydrophobicContact CB-CG 4.31Å; P3-K8 WeakPolarHBondContact O-CE 3.31Å
4D74.8Confident81.5Confident34 Ų3470.3 Ų70.318%0.18238%0.375CS..  trans-41.4117.9178.8175-4.1000109S2 F6 Q7 L125S2-D4 PolarHBondContact O-N 3.48Å; S2-D4 VanDerWaalsContact O-N 3.16Å; D4-F6 PolarHBondContact O-N 3.07Å; D4-F6 WeakPolarHBondContact OD1-CB 3.35Å; D4-F6 WeakPolarHBondContact OD1-CD2 3.48Å; D4-F6 PolarHBondContact OD1-N 2.67Å; D4-Q7 HydrophobicContact CB-CB 4.09Å; D4-Q7 HydrophobicContact CB-CG 4.42Å; D4-Q7 PolarHBondContact O-N 2.67Å; D4-Q7 WeakPolarHBondContact OD2-CG 3.48Å; D4-Q7 PolarHBondContact OD2-NE2 3.1Å; D4-Q7 VanDerWaalsContact OD2-NE2 3.16Å; D4-L125 WeakPolarHBondContact OD1-CD1 3.37Å
5A81.4Confident82.4Confident9 Ų965.9 Ų65.97%0.07435%0.352CS..THydrogen-bonded Turntrans-54.3-25.8-176.100000112.2P3 H150 L152P3-A5 PolarHBondContact O-N 3.34Å; A5-H150 WeakPolarHBondContact CB-O 3.24Å; A5-L152 HydrophobicContact CB-CD2 3.82Å; A5-L152 HydrophobicContact CB-CG 4.47Å
6F91.2Very high83.2Confident19 Ų1962.3 Ų62.38%0.08333%0.333CS..THydrogen-bonded Turntrans-94.4-11.6-177.8-52-66.2000114.5D4 L70 P72 A121 Q122 L125 L152D4-F6 PolarHBondContact O-N 3.07Å; D4-F6 WeakPolarHBondContact OD1-CB 3.35Å; D4-F6 WeakPolarHBondContact OD1-CD2 3.48Å; D4-F6 PolarHBondContact OD1-N 2.67Å; F6-L70 HydrophobicContact CD1-CD2 4.4Å; F6-L70 HydrophobicContact CD1-CG 4.27Å; F6-L70 HydrophobicContact CE1-CD2 4Å; F6-L70 HydrophobicContact CE1-CG 4.12Å; F6-P72 HydrophobicContact CD1-CG 4.15Å; F6-P72 HydrophobicContact CE1-CG 3.73Å; F6-P72 HydrophobicContact CZ-CG 4.17Å; F6-A121 HydrophobicContact CE2-CB 4.22Å; F6-A121 HydrophobicContact CZ-CB 4.37Å; F6-Q122 HydrophobicContact CB-CG 4.44Å; F6-Q122 HydrophobicContact CD2-CB 3.74Å; F6-Q122 HydrophobicContact CD2-CG 3.94Å; F6-Q122 VanDerWaalsContact CE2-CA 3.49Å; F6-Q122 HydrophobicContact CE2-CB 3.66Å; F6-Q122 HydrophobicContact CE2-CG 4.37Å; F6-Q122 HydrophobicContact CG-CB 4.27Å; F6-Q122 HydrophobicContact CG-CG 4.15Å; F6-Q122 HydrophobicContact CZ-CB 4.12Å; F6-L125 HydrophobicContact CD2-CD1 3.57Å; F6-L125 HydrophobicContact CE2-CD1 3.57Å; F6-L152 HydrophobicContact CE2-CD2 3.6Å; F6-L152 HydrophobicContact CZ-CD1 3.88Å; F6-L152 HydrophobicContact CZ-CD2 3.62Å; F6-L152 HydrophobicContact CZ-CG 4.37Å
7Q84.5Confident83.9Confident153 Ų15358.6 Ų58.672%0.71531%0.314SS*.SBendtrans-121.224.8-174-62.6-178.31800113.7D4D4-Q7 HydrophobicContact CB-CB 4.09Å; D4-Q7 HydrophobicContact CB-CG 4.42Å; D4-Q7 PolarHBondContact O-N 2.67Å; D4-Q7 WeakPolarHBondContact OD2-CG 3.48Å; D4-Q7 PolarHBondContact OD2-NE2 3.1Å; D4-Q7 VanDerWaalsContact OD2-NE2 3.16Å
8K88.8Confident84.6Confident28 Ų2855.4 Ų55.412%0.12230%0.296CS..  trans-75.7135.4175.2-67.5176.3177174.70110.8P3 D15 Y54P3-K8 HydrophobicContact CB-CG 4.31Å; P3-K8 WeakPolarHBondContact O-CE 3.31Å; K8-D15 IonicContact NZ-OD1 3.25Å; K8-D15 PolarHBondContact NZ-OD1 3.48Å; K8-Y54 HydrophobicContact CB-CD2 4.4Å; K8-Y54 HydrophobicContact CB-CE2 3.71Å; K8-Y54 WeakPolarHBondContact O-CD2 3.28Å
9D92.6Very high85.2Confident132 Ų13252.5 Ų52.571%0.70628%0.281SS*.SBendtrans-90.1-32.9175.9-78.3-27.6000113.4K53 Y54D9-K53 CarbonylContact O-C 3.51Å; D9-K53 WeakPolarHBondContact O-CA 3.2Å; D9-Y54 PolarHBondContact O-N 3.1Å
10V95.8Very high85.7Confident54 Ų5452.2 Ų52.233%0.32728%0.279SS..BIsolated β-bridgetrans-124.9131-172.1178.70000109.4K52 K53V10-K52 WeakPolarHBondContact CA-O 3.35Å; V10-K53 HydrophobicContact CG2-CG 4.26Å
11A96Very high86Confident0 Ų050.3 Ų50.30%027%0.269CS..  trans-70.4134.2-179.600000111.8L31 V50 G51 K52 Y54 I67A11-L31 HydrophobicContact CB-CD1 3.89Å; A11-V50 WeakPolarHBondContact O-CA 3.35Å; A11-G51 PolarHBondContact O-N 3.24Å; A11-K52 PolarHBondContact N-O 3.43Å; A11-Y54 HydrophobicContact CB-CE1 4.06Å; A11-Y54 HydrophobicContact CB-CE2 4.33Å; A11-I67 HydrophobicContact CB-CD1 4.12Å
12Q95.5Very high87.9Confident108 Ų10843.4 Ų43.451%0.50524%0.241SC..  trans-126.5163.2178.4-61.4-175.8-3.700111.3G14 D15Q12-G14 PolarHBondContact O-N 3.02Å; Q12-D15 PolarHBondContact N-OD2 3.5Å; Q12-D15 WeakPolarHBondContact O-CB 3.46Å; Q12-D15 PolarHBondContact O-N 3.1Å
13Y95.9Very high89.2Confident104 Ų10445.3 Ų45.341%0.40826%0.255SS..THydrogen-bonded Turntrans-62.3138.6169.5-65.1-66.4000110D15 K33 D47 V50Y13-D15 VanDerWaalsContact C-N 3.3Å; Y13-K33 HydrophobicContact CD1-CB 4.1Å; Y13-K33 HydrophobicContact CE1-CB 3.8Å; Y13-K33 HydrophobicContact CE1-CG 4.29Å; Y13-D47 PolarHBondContact OH-OD1 2.94Å; Y13-V50 HydrophobicContact CD1-CG2 3.66Å; Y13-V50 HydrophobicContact CD2-CG1 4.05Å; Y13-V50 HydrophobicContact CD2-CG2 4.23Å; Y13-V50 HydrophobicContact CE1-CB 4.36Å; Y13-V50 HydrophobicContact CE1-CG2 3.56Å; Y13-V50 HydrophobicContact CE2-CB 4.31Å; Y13-V50 HydrophobicContact CE2-CG1 3.82Å; Y13-V50 HydrophobicContact CE2-CG2 4.15Å; Y13-V50 HydrophobicContact CG-CG2 3.99Å
14G93.7Very high89.8Confident37 Ų3749.2 Ų49.238%0.38126%0.264SS..THydrogen-bonded Turntrans89.1-13.4-174.300000113.9Q12 L31Q12-G14 PolarHBondContact O-N 3.02Å; G14-L31 PolarHBondContact N-O 3Å
15D94.8Very high90.2Very high5 Ų554 Ų543%0.02728%0.284CS..  trans-70134.9175.1-70.1-9000111K8 Q12 Y13 V17 V30 L31 Y54K8-D15 IonicContact NZ-OD1 3.25Å; K8-D15 PolarHBondContact NZ-OD1 3.48Å; Q12-D15 PolarHBondContact N-OD2 3.5Å; Q12-D15 WeakPolarHBondContact O-CB 3.46Å; Q12-D15 PolarHBondContact O-N 3.1Å; Y13-D15 VanDerWaalsContact C-N 3.3Å; D15-V17 HydrophobicContact CB-CG1 4.14Å; D15-V30 WeakPolarHBondContact O-CA 3.38Å; D15-L31 PolarHBondContact O-N 3.05Å; D15-Y54 VanDerWaalsContact CB-OH 3.28Å; D15-Y54 WeakPolarHBondContact CB-OH 3.45Å; D15-Y54 PolarHBondContact OD2-OH 3.01Å
16C94.9Very high90.6Very high8 Ų854.5 Ų54.55%0.05429%0.285CS..EExtended strand (participates in β ladder)trans-79.5121.9163.6-173.30000109T28 T29 V30 H150C16-T28 WeakPolarHBondContact SG-CG2 3.5Å; C16-T29 WeakPolarHBondContact CA-O 3.22Å; C16-V30 HydrophobicContact CB-CG2 4.3Å; C16-H150 PolarHBondContact SG-CD2 2.91Å; C16-H150 PolarHBondContact SG-NE2 3.5Å; C16-H150 VanDerWaalsContact SG-NE2 3.37Å
17V95.1Very high90.8Very high0 Ų057.1 Ų57.10%030%0.299CS..EExtended strand (participates in β ladder)trans-122.3143.9-175.5-52.70000111D15 T28 T29 L31 Y54D15-V17 HydrophobicContact CB-CG1 4.14Å; V17-T28 WeakPolarHBondContact O-CA 3.33Å; V17-T29 HydrophobicContact CG2-CG2 3.76Å; V17-T29 PolarHBondContact N-O 3.48Å; V17-T29 PolarHBondContact O-N 3.12Å; V17-T29 VanDerWaalsContact O-N 3.08Å; V17-L31 HydrophobicContact CG1-CD1 3.67Å; V17-L31 HydrophobicContact CG1-CG 3.8Å; V17-L31 HydrophobicContact CG2-CD1 4.48Å; V17-L31 HydrophobicContact CG2-CD2 3.9Å; V17-L31 HydrophobicContact CG2-CG 3.99Å; V17-Y54 HydrophobicContact CB-CE1 4.28Å; V17-Y54 HydrophobicContact CG1-CE1 3.65Å
18I95.7Very high91.2Very high0 Ų051.6 Ų51.60%028%0.276CS..EExtended strand (participates in β ladder)trans-90.4123.3171.2-50.5-60.3000108.2N26 L27 T28 I67 L68 L70 L74I18-N26 HydrophobicContact CG2-CB 3.88Å; I18-L27 CarbonylContact C-O 3.6Å; I18-T28 HydrophobicContact CD1-CG2 4.09Å; I18-T28 WeakPolarHBondContact CD1-OG1 3.44Å; I18-I67 CarbonylContact O-C 2.93Å; I18-I67 WeakPolarHBondContact O-CA 3.23Å; I18-L68 HydrophobicContact CB-CB 4.19Å; I18-L68 PolarHBondContact N-O 3.36Å; I18-L68 PolarHBondContact O-N 2.94Å; I18-L70 HydrophobicContact CD1-CD1 4.32Å; I18-L74 HydrophobicContact CD1-CB 4.43Å; I18-L74 HydrophobicContact CG1-CB 4.03Å; I18-L74 HydrophobicContact CG1-CD1 4.43Å; I18-L74 HydrophobicContact CG2-CB 4.27Å; I18-L74 HydrophobicContact CG2-CD1 4.43Å
19I96.3Very high91.5Very high1 Ų151.6 Ų51.61%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-93.3109.4172.9-51.5173.9000107.7L21 N26 L27 T29 T39 M44 V65 Y66I19-L21 HydrophobicContact CG2-CD2 3.75Å; I19-L21 PolarHBondContact O-N 2.86Å; I19-N26 WeakPolarHBondContact O-CA 3.42Å; I19-L27 HydrophobicContact CB-CB 4.33Å; I19-L27 PolarHBondContact N-O 3.24Å; I19-L27 PolarHBondContact O-N 3.02Å; I19-T29 HydrophobicContact CD1-CG2 3.79Å; I19-T29 HydrophobicContact CG1-CG2 4.22Å; I19-T39 HydrophobicContact CD1-CG2 4.49Å; I19-T39 HydrophobicContact CG2-CG2 4.29Å; I19-M44 HydrophobicContact CD1-CE 3.46Å; I19-M44 VanDerWaalsContact CD1-CE 3.46Å; I19-M44 HydrophobicContact CD1-SD 4.14Å; I19-M44 HydrophobicContact CG1-CE 3.88Å; I19-M44 HydrophobicContact CG1-SD 4.3Å; I19-M44 HydrophobicContact CG2-SD 4.39Å; I19-V65 HydrophobicContact CG2-CB 3.76Å; I19-V65 HydrophobicContact CG2-CG1 3.95Å; I19-V65 HydrophobicContact CG2-CG2 3.85Å; I19-Y66 WeakPolarHBondContact CA-O 3.37Å
20D95.2Very high91.7Very high45 Ų4547 Ų4724%0.24126%0.255CS..EExtended strand (participates in β ladder)trans-80.9116.1174.2173.823.8000110.2G22 N26 Y66 L68D20-G22 WeakPolarHBondContact OD1-CA 3.45Å; D20-G22 PolarHBondContact OD1-N 3.33Å; D20-N26 WeakPolarHBondContact CA-OD1 3.38Å; D20-N26 PolarHBondContact OD1-OD1 3.4Å; D20-Y66 PolarHBondContact N-O 2.82Å; D20-Y66 PolarHBondContact O-N 3.38Å; D20-L68 HydrophobicContact CB-CD1 4.06Å; D20-L68 HydrophobicContact CB-CG 4.45Å
21L92Very high91.7Very high14 Ų1444.4 Ų44.47%0.07324%0.24CC..  trans-99.94.1175.6-46.5174.9000112.6I19 K25 L27 T39 R40 F41 V65I19-L21 HydrophobicContact CG2-CD2 3.75Å; I19-L21 PolarHBondContact O-N 2.86Å; L21-K25 WeakPolarHBondContact CB-O 3.33Å; L21-K25 VanDerWaalsContact CG-O 3.29Å; L21-K25 WeakPolarHBondContact CG-O 3.36Å; L21-K25 PolarHBondContact N-O 3.31Å; L21-L27 HydrophobicContact CD1-CD1 3.77Å; L21-L27 HydrophobicContact CD1-CG 3.85Å; L21-T39 HydrophobicContact CD2-CG2 4.05Å; L21-R40 HydrophobicContact CD1-CG 4.43Å; L21-R40 PolarHBondContact O-NE 2.71Å; L21-R40 PolarHBondContact O-NH2 3.45Å; L21-F41 HydrophobicContact CB-CD2 4.47Å; L21-F41 HydrophobicContact CB-CE2 3.91Å; L21-F41 HydrophobicContact CD2-CD2 4.08Å; L21-F41 HydrophobicContact CD2-CE2 4.33Å; L21-F41 VanDerWaalsContact O-CE2 3.22Å; L21-F41 WeakPolarHBondContact O-CE2 3.35Å; L21-F41 WeakPolarHBondContact O-CZ 3.26Å; L21-V65 HydrophobicContact CD2-CG1 3.56Å
22G84.5Confident91.8Very high26 Ų2651 Ų5127%0.26827%0.268SS..SBendtrans77.4161.8-173.800000113.5D20 F24 K25D20-G22 WeakPolarHBondContact OD1-CA 3.45Å; D20-G22 PolarHBondContact OD1-N 3.33Å; G22-F24 VanDerWaalsContact C-N 3.27Å; G22-F24 PolarHBondContact O-N 2.93Å; G22-K25 PolarHBondContact O-N 3.21Å
23S77Confident91.9Very high98 Ų9854.2 Ų54.269%0.68528%0.28SS*.THydrogen-bonded Turntrans55.438.1-178.6-510000113.6K25S23-K25 PolarHBondContact O-N 2.95Å; S23-K25 VanDerWaalsContact O-N 3.12Å
24F69.7Low92Very high159 Ų15951.6 Ų51.670%0.69729%0.285SS*.THydrogen-bonded Turntrans56.327179.7-49.9-79.9000113.8G22G22-F24 VanDerWaalsContact C-N 3.27Å; G22-F24 PolarHBondContact O-N 2.93Å
25K83Confident92.1Very high134 Ų13450.6 Ų50.658%0.58328%0.275SS*.  trans-101.982.2171.8-66.1-170.9-178.3-176.50108.5L21 G22 S23L21-K25 WeakPolarHBondContact CB-O 3.33Å; L21-K25 VanDerWaalsContact CG-O 3.29Å; L21-K25 WeakPolarHBondContact CG-O 3.36Å; L21-K25 PolarHBondContact N-O 3.31Å; G22-K25 PolarHBondContact O-N 3.21Å; S23-K25 PolarHBondContact O-N 2.95Å; S23-K25 VanDerWaalsContact O-N 3.12Å
26N91.2Very high92.2Very high19 Ų1953.7 Ų53.710%0.10229%0.294CS..EExtended strand (participates in β ladder)trans-89.8154.2179.3-65.7-35.6000110.4I18 I19 D20 E77 T78I18-N26 HydrophobicContact CG2-CB 3.88Å; I19-N26 WeakPolarHBondContact O-CA 3.42Å; D20-N26 WeakPolarHBondContact CA-OD1 3.38Å; D20-N26 PolarHBondContact OD1-OD1 3.4Å; N26-E77 PolarHBondContact ND2-OE2 3.39Å; N26-T78 VanDerWaalsContact C-CG2 3.45Å; N26-T78 HydrophobicContact CB-CG2 3.32Å; N26-T78 WeakPolarHBondContact O-CG2 3.35Å
27L93.7Very high92.3Very high74 Ų7454.1 Ų54.139%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-126.8154.1167.2-66.9177000108.8I18 I19 L21I18-L27 CarbonylContact C-O 3.6Å; I19-L27 HydrophobicContact CB-CB 4.33Å; I19-L27 PolarHBondContact N-O 3.24Å; I19-L27 PolarHBondContact O-N 3.02Å; L21-L27 HydrophobicContact CD1-CD1 3.77Å; L21-L27 HydrophobicContact CD1-CG 3.85Å
28T94.3Very high92.4Very high38 Ų3860.7 Ų60.723%0.23333%0.328CS..EExtended strand (participates in β ladder)trans-119.6139.4176.7-61.60000110.3C16 V17 I18 W75 T78C16-T28 WeakPolarHBondContact SG-CG2 3.5Å; V17-T28 WeakPolarHBondContact O-CA 3.33Å; I18-T28 HydrophobicContact CD1-CG2 4.09Å; I18-T28 WeakPolarHBondContact CD1-OG1 3.44Å; T28-W75 HydrophobicContact CG2-CE3 3.74Å; T28-W75 HydrophobicContact CG2-CZ3 3.53Å; T28-T78 WeakPolarHBondContact OG1-CB 3.39Å; T28-T78 PolarHBondContact OG1-OG1 3.35Å
29T95.3Very high92.3Very high28 Ų2861.5 Ų61.517%0.17233%0.333CS..EExtended strand (participates in β ladder)trans-149.7154.1177.7-164.20000111.4C16 V17 I19 S37 M44C16-T29 WeakPolarHBondContact CA-O 3.22Å; V17-T29 HydrophobicContact CG2-CG2 3.76Å; V17-T29 PolarHBondContact N-O 3.48Å; V17-T29 PolarHBondContact O-N 3.12Å; V17-T29 VanDerWaalsContact O-N 3.08Å; I19-T29 HydrophobicContact CD1-CG2 3.79Å; I19-T29 HydrophobicContact CG1-CG2 4.22Å; T29-S37 PolarHBondContact OG1-OG 2.91Å; T29-M44 HydrophobicContact CG2-CE 4.38Å
30V95.9Very high92.1Very high34 Ų3468.1 Ų68.121%0.20636%0.358CS..EExtended strand (participates in β ladder)trans-95.2124.8171.2178.60000109.1D15 C16 K32 H46D15-V30 WeakPolarHBondContact O-CA 3.38Å; C16-V30 HydrophobicContact CB-CG2 4.3Å; V30-K32 PolarHBondContact O-N 3.49Å; V30-H46 PolarHBondContact O-CE1 2.75Å
31L96.8Very high92.1Very high1 Ų168.8 Ų68.81%0.00536%0.359CS..  trans-67.1127179.1-65.8-178.1000110.8A11 G14 D15 V17 H46 C49 V50A11-L31 HydrophobicContact CB-CD1 3.89Å; G14-L31 PolarHBondContact N-O 3Å; D15-L31 PolarHBondContact O-N 3.05Å; V17-L31 HydrophobicContact CG1-CD1 3.67Å; V17-L31 HydrophobicContact CG1-CG 3.8Å; V17-L31 HydrophobicContact CG2-CD1 4.48Å; V17-L31 HydrophobicContact CG2-CD2 3.9Å; V17-L31 HydrophobicContact CG2-CG 3.99Å; L31-H46 HydrophobicContact CD2-CB 3.95Å; L31-C49 HydrophobicContact CD1-CB 3.92Å; L31-C49 HydrophobicContact CD2-CB 3.92Å; L31-V50 HydrophobicContact CD1-CG2 4.18Å
32K97.4Very high92.2Very high137 Ų13768.6 Ų68.660%0.59636%0.36SS*.  trans-133.9138.6-175.1-67.7178.4-173.3-179.50108.7V30 G34 G35 H46V30-K32 PolarHBondContact O-N 3.49Å; K32-G34 PolarHBondContact O-N 3.11Å; K32-G35 WeakPolarHBondContact O-CA 3.46Å; K32-G35 PolarHBondContact O-N 3.16Å; K32-H46 PolarHBondContact N-ND1 2.98Å; K32-H46 WeakPolarHBondContact O-CB 3.45Å; K32-H46 PolarHBondContact O-ND1 3Å
33K97.4Very high92.8Very high176 Ų17668.6 Ų68.677%0.76536%0.358SS*.THydrogen-bonded Turntrans-59.7126.8177.5-171.8175.9-178.4178.70110.7Y13 G35Y13-K33 HydrophobicContact CD1-CB 4.1Å; Y13-K33 HydrophobicContact CE1-CB 3.8Å; Y13-K33 HydrophobicContact CE1-CG 4.29Å; K33-G35 PolarHBondContact O-N 3.02Å
34G97.2Very high93.8Very high49 Ų4964 Ų6451%0.50533%0.325SS..THydrogen-bonded Turntrans69.83.2-173.800000114.7K32 D47K32-G34 PolarHBondContact O-N 3.11Å; G34-D47 PolarHBondContact N-OD1 2.79Å
35G97.3Very high95.1Very high17 Ų1761.5 Ų61.518%0.17531%0.311CS..  trans-71.7153178.300000112.3K32 K33 H46K32-G35 WeakPolarHBondContact O-CA 3.46Å; K32-G35 PolarHBondContact O-N 3.16Å; K33-G35 PolarHBondContact O-N 3.02Å; G35-H46 WeakPolarHBondContact O-CB 3.43Å; G35-H46 PolarHBondContact O-N 3.2Å
36V97.4Very high95.9Very high69 Ų6955.5 Ų55.542%0.41829%0.285SS..EExtended strand (participates in β ladder)trans-137.5128.1177.2-179.30000108.6A43 M44 R45V36-A43 HydrophobicContact CG1-CB 3.74Å; V36-M44 WeakPolarHBondContact CA-O 3.44Å; V36-R45 HydrophobicContact CG2-CG 4.45Å
37S96.6Very high96.2Very high18 Ų1856.7 Ų56.713%0.12629%0.291CS..EExtended strand (participates in β ladder)trans-102.7130.9171.2-70.80000109.8T29 M44 H46T29-S37 PolarHBondContact OG1-OG 2.91Å; S37-M44 PolarHBondContact N-O 3.24Å; S37-M44 PolarHBondContact O-N 2.93Å; S37-H46 PolarHBondContact N-NE2 2.89Å; S37-H46 PolarHBondContact OG-NE2 3.38Å
38Q96.1Very high96.4Very high137 Ų13756.1 Ų56.164%0.6429%0.289SS*.EExtended strand (participates in β ladder)trans-86.5128.9177.7-64.7-62.1-1800110.1
39T94.6Very high96.5Very high17 Ų1754.3 Ų54.310%0.10428%0.278CS..EExtended strand (participates in β ladder)trans-126.2169178.978.20000110.3I19 L21 F41 G42 M44 V65I19-T39 HydrophobicContact CD1-CG2 4.49Å; I19-T39 HydrophobicContact CG2-CG2 4.29Å; L21-T39 HydrophobicContact CD2-CG2 4.05Å; T39-F41 PolarHBondContact O-N 3.14Å; T39-F41 PolarHBondContact OG1-N 3.06Å; T39-F41 VanDerWaalsContact OG1-N 3.1Å; T39-G42 PolarHBondContact N-O 2.93Å; T39-G42 VanDerWaalsContact N-O 3.07Å; T39-G42 PolarHBondContact O-N 3.1Å; T39-G42 PolarHBondContact OG1-N 3.29Å; T39-G42 PolarHBondContact OG1-O 3.34Å; T39-M44 HydrophobicContact CG2-CB 4.48Å; T39-V65 HydrophobicContact CG2-CG1 4.4Å
40R92.8Very high96.6Very high141 Ų14154.9 Ų54.953%0.53228%0.281SS..THydrogen-bonded Turntrans-62-19.8171.472.7-178.5-168.6156.6-3.4113.6L21 G42L21-R40 HydrophobicContact CD1-CG 4.43Å; L21-R40 PolarHBondContact O-NE 2.71Å; L21-R40 PolarHBondContact O-NH2 3.45Å; R40-G42 VanDerWaalsContact C-N 3.33Å
41F93.7Very high96.6Very high59 Ų5956 Ų5626%0.25930%0.3SS..THydrogen-bonded Turntrans-97.318.5174.6-53.7-66.3000111.5L21 T39 T60 H62 V65L21-F41 HydrophobicContact CB-CD2 4.47Å; L21-F41 HydrophobicContact CB-CE2 3.91Å; L21-F41 HydrophobicContact CD2-CD2 4.08Å; L21-F41 HydrophobicContact CD2-CE2 4.33Å; L21-F41 VanDerWaalsContact O-CE2 3.22Å; L21-F41 WeakPolarHBondContact O-CE2 3.35Å; L21-F41 WeakPolarHBondContact O-CZ 3.26Å; T39-F41 PolarHBondContact O-N 3.14Å; T39-F41 PolarHBondContact OG1-N 3.06Å; T39-F41 VanDerWaalsContact OG1-N 3.1Å; F41-T60 WeakPolarHBondContact O-CB 3.5Å; F41-T60 PolarHBondContact O-OG1 3.16Å; F41-H62 CarbonylContact C-O 3.55Å; F41-H62 WeakPolarHBondContact CA-O 3.26Å; F41-H62 CarbonylContact O-C 3.6Å; F41-H62 WeakPolarHBondContact O-CA 3.38Å; F41-H62 WeakPolarHBondContact O-CB 3.09Å; F41-H62 PolarHBondContact O-N 2.96Å; F41-V65 HydrophobicContact CB-CG1 4.44Å; F41-V65 HydrophobicContact CD2-CG1 3.8Å
42G95.4Very high96.7Very high10 Ų1059.8 Ų59.810%0.10332%0.316CS..EExtended strand (participates in β ladder)trans91.1-168.2179.600000114.3T39 R40 S61T39-G42 PolarHBondContact N-O 2.93Å; T39-G42 VanDerWaalsContact N-O 3.07Å; T39-G42 PolarHBondContact O-N 3.1Å; T39-G42 PolarHBondContact OG1-N 3.29Å; T39-G42 PolarHBondContact OG1-O 3.34Å; R40-G42 VanDerWaalsContact C-N 3.33Å; G42-S61 VanDerWaalsContact CA-OG 3.31Å; G42-S61 WeakPolarHBondContact CA-OG 3.25Å
43A97.2Very high96.7Very high26 Ų2660.2 Ų60.222%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-75.4125.9-172.600000111.5V36 T60 S61V36-A43 HydrophobicContact CG1-CB 3.74Å; A43-T60 WeakPolarHBondContact O-CA 3.41Å; A43-S61 PolarHBondContact N-OG 3.18Å; A43-S61 PolarHBondContact O-N 3.21Å; A43-S61 VanDerWaalsContact O-N 3.13Å
44M97.3Very high96.6Very high0 Ų053.6 Ų53.60%029%0.288CS..EExtended strand (participates in β ladder)trans-102.4115.1171.2-173.4-172.877.800109.3I19 T29 V36 S37 T39 I58 T60 V65 I67I19-M44 HydrophobicContact CD1-CE 3.46Å; I19-M44 VanDerWaalsContact CD1-CE 3.46Å; I19-M44 HydrophobicContact CD1-SD 4.14Å; I19-M44 HydrophobicContact CG1-CE 3.88Å; I19-M44 HydrophobicContact CG1-SD 4.3Å; I19-M44 HydrophobicContact CG2-SD 4.39Å; T29-M44 HydrophobicContact CG2-CE 4.38Å; V36-M44 WeakPolarHBondContact CA-O 3.44Å; S37-M44 PolarHBondContact N-O 3.24Å; S37-M44 PolarHBondContact O-N 2.93Å; T39-M44 HydrophobicContact CG2-CB 4.48Å; M44-I58 HydrophobicContact CG-CG2 3.84Å; M44-I58 HydrophobicContact SD-CG2 4.32Å; M44-T60 HydrophobicContact CB-CG2 3.98Å; M44-T60 HydrophobicContact CG-CG2 4.41Å; M44-V65 HydrophobicContact CG-CG2 4.23Å; M44-V65 HydrophobicContact SD-CG2 3.56Å; M44-V65 VanDerWaalsContact SD-CG2 3.56Å; M44-I67 HydrophobicContact SD-CG2 4.07Å
45R97.7Very high96.5Very high108 Ų10853.2 Ų53.241%0.40828%0.284SS..EExtended strand (participates in β ladder)trans-78.8130175.5-54.2-177.775.5-95.5-9.9109.4V36 D47 D48V36-R45 HydrophobicContact CG2-CG 4.45Å; R45-D47 VanDerWaalsContact C-N 3.26Å; R45-D47 IonicContact CZ-OD2 3.69Å; R45-D47 IonicContact NH1-OD2 3.58Å; R45-D47 PolarHBondContact NH1-OD2 3.29Å; R45-D47 IonicContact NH2-OD2 2.74Å; R45-D47 PolarHBondContact NH2-OD2 3.3Å; R45-D47 PolarHBondContact O-N 2.82Å; R45-D48 HydrophobicContact CB-CB 4.45Å; R45-D48 IonicContact NH1-OD1 3.81Å; R45-D48 PolarHBondContact NH1-OD1 3.22Å; R45-D48 WeakPolarHBondContact O-CB 3.38Å; R45-D48 PolarHBondContact O-N 3.33Å; R45-D48 VanDerWaalsContact O-N 3.12Å
46H98.2Very high96.5Very high7 Ų754 Ų543%0.03229%0.287CS..G310 helixtrans-64.7-33.9-179-66.4-175.9000111.8V30 L31 K32 G35 S37 D48 C49 V50V30-H46 PolarHBondContact O-CE1 2.75Å; L31-H46 HydrophobicContact CD2-CB 3.95Å; K32-H46 PolarHBondContact N-ND1 2.98Å; K32-H46 WeakPolarHBondContact O-CB 3.45Å; K32-H46 PolarHBondContact O-ND1 3Å; G35-H46 WeakPolarHBondContact O-CB 3.43Å; G35-H46 PolarHBondContact O-N 3.2Å; S37-H46 PolarHBondContact N-NE2 2.89Å; S37-H46 PolarHBondContact OG-NE2 3.38Å; H46-D48 PolarHBondContact O-N 2.83Å; H46-C49 WeakPolarHBondContact O-CB 3.1Å; H46-C49 PolarHBondContact O-N 2.72Å; H46-V50 PolarHBondContact O-N 3.48Å
47D98Very high96.5Very high44 Ų4455.8 Ų55.824%0.23529%0.289CS..G310 helixtrans-59.6-29.2176.5-50.7-27.9000112Y13 G34 R45 C49Y13-D47 PolarHBondContact OH-OD1 2.94Å; G34-D47 PolarHBondContact N-OD1 2.79Å; R45-D47 VanDerWaalsContact C-N 3.26Å; R45-D47 IonicContact CZ-OD2 3.69Å; R45-D47 IonicContact NH1-OD2 3.58Å; R45-D47 PolarHBondContact NH1-OD2 3.29Å; R45-D47 IonicContact NH2-OD2 2.74Å; R45-D47 PolarHBondContact NH2-OD2 3.3Å; R45-D47 PolarHBondContact O-N 2.82Å; D47-C49 VanDerWaalsContact C-N 3.27Å; D47-C49 PolarHBondContact O-N 3.01Å
48D97.4Very high96.5Very high62 Ų6254.9 Ų54.933%0.33228%0.283SS..G310 helixtrans-80-12.5-179.1-56.6-6.4000111.9R45 H46 K52 I58R45-D48 HydrophobicContact CB-CB 4.45Å; R45-D48 IonicContact NH1-OD1 3.81Å; R45-D48 PolarHBondContact NH1-OD1 3.22Å; R45-D48 WeakPolarHBondContact O-CB 3.38Å; R45-D48 PolarHBondContact O-N 3.33Å; R45-D48 VanDerWaalsContact O-N 3.12Å; H46-D48 PolarHBondContact O-N 2.83Å; D48-K52 VanDerWaalsContact O-CD 3.24Å; D48-K52 WeakPolarHBondContact O-CD 3.48Å; D48-K52 WeakPolarHBondContact O-CE 3.3Å; D48-K52 PolarHBondContact O-NZ 3.3Å; D48-I58 HydrophobicContact CB-CG2 4.4Å
49C97.5Very high96.6Very high0 Ų054.3 Ų54.30%028%0.28CS..THydrogen-bonded Turntrans-87.9-39.8174.8-57.70000111.5L31 H46 D47 K52 I67L31-C49 HydrophobicContact CD1-CB 3.92Å; L31-C49 HydrophobicContact CD2-CB 3.92Å; H46-C49 WeakPolarHBondContact O-CB 3.1Å; H46-C49 PolarHBondContact O-N 2.72Å; D47-C49 VanDerWaalsContact C-N 3.27Å; D47-C49 PolarHBondContact O-N 3.01Å; C49-K52 WeakPolarHBondContact O-CB 3.37Å; C49-K52 PolarHBondContact O-N 3.23Å; C49-I67 HydrophobicContact CB-CD1 3.85Å
50V97.4Very high96.7Very high40 Ų4053.9 Ų53.924%0.24228%0.277CS..THydrogen-bonded Turntrans-63.4136.2-173.31740000111.6A11 Y13 L31 H46 K52A11-V50 WeakPolarHBondContact O-CA 3.35Å; Y13-V50 HydrophobicContact CD1-CG2 3.66Å; Y13-V50 HydrophobicContact CD2-CG1 4.05Å; Y13-V50 HydrophobicContact CD2-CG2 4.23Å; Y13-V50 HydrophobicContact CE1-CB 4.36Å; Y13-V50 HydrophobicContact CE1-CG2 3.56Å; Y13-V50 HydrophobicContact CE2-CB 4.31Å; Y13-V50 HydrophobicContact CE2-CG1 3.82Å; Y13-V50 HydrophobicContact CE2-CG2 4.15Å; Y13-V50 HydrophobicContact CG-CG2 3.99Å; L31-V50 HydrophobicContact CD1-CG2 4.18Å; H46-V50 PolarHBondContact O-N 3.48Å; V50-K52 VanDerWaalsContact C-N 3.25Å; V50-K52 PolarHBondContact O-N 3.4Å
51G96.6Very high96.8Very high58 Ų5850.5 Ų50.560%0.59828%0.275SS*.THydrogen-bonded Turntrans82.3-6-177.200000114.4A11A11-G51 PolarHBondContact O-N 3.24Å
52K97.2Very high96.8Very high80 Ų8054.7 Ų54.735%0.34830%0.295SS..SBendtrans-90152.1172.6-65.5-179.4178.6163.80111.2V10 A11 D48 C49 V50 I58V10-K52 WeakPolarHBondContact CA-O 3.35Å; A11-K52 PolarHBondContact N-O 3.43Å; D48-K52 VanDerWaalsContact O-CD 3.24Å; D48-K52 WeakPolarHBondContact O-CD 3.48Å; D48-K52 WeakPolarHBondContact O-CE 3.3Å; D48-K52 PolarHBondContact O-NZ 3.3Å; C49-K52 WeakPolarHBondContact O-CB 3.37Å; C49-K52 PolarHBondContact O-N 3.23Å; V50-K52 VanDerWaalsContact C-N 3.25Å; V50-K52 PolarHBondContact O-N 3.4Å; K52-I58 HydrophobicContact CD-CD1 3.43Å; K52-I58 VanDerWaalsContact CD-CD1 3.43Å
53K97.2Very high96.7Very high147 Ų14755.5 Ų55.564%0.63930%0.304SS*.BIsolated β-bridgetrans-67.6144.3173.1-66.7-171.3176.1-168.40110.7D9 V10 S56D9-K53 CarbonylContact O-C 3.51Å; D9-K53 WeakPolarHBondContact O-CA 3.2Å; V10-K53 HydrophobicContact CG2-CG 4.26Å; K53-S56 WeakPolarHBondContact O-CB 3.49Å; K53-S56 PolarHBondContact O-N 3.44Å; K53-S56 VanDerWaalsContact O-N 3.11Å; K53-S56 PolarHBondContact O-OG 3.35Å
54Y96.1Very high96.7Very high37 Ų3759.3 Ų59.315%0.14531%0.313CS..THydrogen-bonded Turntrans-58.6145.4166.5-70.4-73.8000110.4K8 D9 A11 D15 V17 S56 A69K8-Y54 HydrophobicContact CB-CD2 4.4Å; K8-Y54 HydrophobicContact CB-CE2 3.71Å; K8-Y54 WeakPolarHBondContact O-CD2 3.28Å; D9-Y54 PolarHBondContact O-N 3.1Å; A11-Y54 HydrophobicContact CB-CE1 4.06Å; A11-Y54 HydrophobicContact CB-CE2 4.33Å; D15-Y54 VanDerWaalsContact CB-OH 3.28Å; D15-Y54 WeakPolarHBondContact CB-OH 3.45Å; D15-Y54 PolarHBondContact OD2-OH 3.01Å; V17-Y54 HydrophobicContact CB-CE1 4.28Å; V17-Y54 HydrophobicContact CG1-CE1 3.65Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-A69 HydrophobicContact CD1-CB 4.01Å; Y54-A69 HydrophobicContact CD2-CB 3.95Å; Y54-A69 HydrophobicContact CE1-CB 4.27Å; Y54-A69 HydrophobicContact CE2-CB 4.26Å; Y54-A69 HydrophobicContact CG-CB 3.8Å
55G95.2Very high96.7Very high40 Ų4059.3 Ų59.341%0.41231%0.314SS..THydrogen-bonded Turntrans85-1.9-165.900000114.4Y66 I67G55-Y66 WeakPolarHBondContact O-CD1 3.17Å; G55-I67 WeakPolarHBondContact CA-O 3.43Å; G55-I67 PolarHBondContact N-O 2.92Å
56S96.9Very high96.6Very high33 Ų3358.5 Ų58.523%0.23131%0.311CS..  trans-72142.6178-660000112.5K53 Y54 I67K53-S56 WeakPolarHBondContact O-CB 3.49Å; K53-S56 PolarHBondContact O-N 3.44Å; K53-S56 VanDerWaalsContact O-N 3.11Å; K53-S56 PolarHBondContact O-OG 3.35Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; S56-I67 PolarHBondContact O-N 2.89Å
57K97.3Very high96.5Very high107 Ų10758.1 Ų58.147%0.46531%0.309SS..EExtended strand (participates in β ladder)trans-73.8122.3169.3-171.8-178.7-174.1177.90110.1Y64 V65 Y66K57-Y64 HydrophobicContact CD-CD2 4.03Å; K57-Y64 HydrophobicContact CD-CE2 4.48Å; K57-Y64 HydrophobicContact CD-CG 4.11Å; K57-Y64 VanDerWaalsContact CE-CB 3.41Å; K57-Y64 HydrophobicContact CG-CD2 3.79Å; K57-Y64 HydrophobicContact CG-CG 4.02Å; K57-V65 CarbonylContact C-O 3.6Å; K57-V65 WeakPolarHBondContact CA-O 3.35Å; K57-Y66 HydrophobicContact CB-CD1 4.21Å; K57-Y66 HydrophobicContact CB-CE1 3.8Å; K57-Y66 HydrophobicContact CG-CE1 4.34Å
58I97.4Very high96.4Very high0 Ų058.4 Ų58.40%031%0.31CS..EExtended strand (participates in β ladder)trans-107124.4177.4-50.7-55.5000108.9M44 D48 K52 Y64 V65 I67M44-I58 HydrophobicContact CG-CG2 3.84Å; M44-I58 HydrophobicContact SD-CG2 4.32Å; D48-I58 HydrophobicContact CB-CG2 4.4Å; K52-I58 HydrophobicContact CD-CD1 3.43Å; K52-I58 VanDerWaalsContact CD-CD1 3.43Å; I58-Y64 VanDerWaalsContact O-CA 3.22Å; I58-Y64 WeakPolarHBondContact O-CA 3.5Å; I58-Y64 WeakPolarHBondContact O-CB 3.46Å; I58-V65 HydrophobicContact CB-CG2 4.07Å; I58-V65 PolarHBondContact N-O 2.83Å; I58-V65 PolarHBondContact O-N 3.43Å; I58-I67 HydrophobicContact CD1-CD1 3.89Å; I58-I67 HydrophobicContact CD1-CG1 4.14Å; I58-I67 HydrophobicContact CG1-CB 4.42Å; I58-I67 HydrophobicContact CG1-CD1 4.07Å; I58-I67 HydrophobicContact CG1-CG1 3.94Å; I58-I67 HydrophobicContact CG1-CG2 3.74Å
59Q97Very high96.3Very high125 Ų12556.5 Ų56.558%0.58430%0.304SS*.EExtended strand (participates in β ladder)trans-71130175.4-173.56231.500109G63Q59-G63 PolarHBondContact NE2-O 3.48Å; Q59-G63 PolarHBondContact OE1-O 2.98Å
60T96.7Very high96.1Very high7 Ų756.8 Ų56.84%0.04331%0.305CS..EExtended strand (participates in β ladder)trans-108.8172.4172.957.10000109.4F41 A43 M44 H62 G63 Y64 V65F41-T60 WeakPolarHBondContact O-CB 3.5Å; F41-T60 PolarHBondContact O-OG1 3.16Å; A43-T60 WeakPolarHBondContact O-CA 3.41Å; M44-T60 HydrophobicContact CB-CG2 3.98Å; M44-T60 HydrophobicContact CG-CG2 4.41Å; T60-H62 PolarHBondContact O-N 2.85Å; T60-G63 PolarHBondContact N-O 2.82Å; T60-G63 VanDerWaalsContact N-O 3.1Å; T60-G63 PolarHBondContact OG1-N 3Å; T60-G63 PolarHBondContact OG1-O 2.74Å; T60-G63 VanDerWaalsContact OG1-O 3.12Å; T60-Y64 PolarHBondContact OG1-N 3.4Å; T60-V65 HydrophobicContact CG2-CG1 4.03Å; T60-V65 HydrophobicContact CG2-CG2 3.89Å
61S96.1Very high96Very high70 Ų7056.6 Ų56.649%0.4931%0.305SS..THydrogen-bonded Turntrans-60.5-26.1178.272.50000113.5G42 A43G42-S61 VanDerWaalsContact CA-OG 3.31Å; G42-S61 WeakPolarHBondContact CA-OG 3.25Å; A43-S61 PolarHBondContact N-OG 3.18Å; A43-S61 PolarHBondContact O-N 3.21Å; A43-S61 VanDerWaalsContact O-N 3.13Å
62H92.2Very high95.9Very high147 Ų14753.9 Ų53.968%0.68128%0.277SS*.THydrogen-bonded Turntrans-138.155.5-178.5-62.6106.7000112.1F41 T60F41-H62 CarbonylContact C-O 3.55Å; F41-H62 WeakPolarHBondContact CA-O 3.26Å; F41-H62 CarbonylContact O-C 3.6Å; F41-H62 WeakPolarHBondContact O-CA 3.38Å; F41-H62 WeakPolarHBondContact O-CB 3.09Å; F41-H62 PolarHBondContact O-N 2.96Å; T60-H62 PolarHBondContact O-N 2.85Å
63G95.1Very high95.8Very high27 Ų2751.7 Ų51.728%0.27827%0.274SS..EExtended strand (participates in β ladder)trans131.9-136.4176.200000112.3Q59 T60Q59-G63 PolarHBondContact NE2-O 3.48Å; Q59-G63 PolarHBondContact OE1-O 2.98Å; T60-G63 PolarHBondContact N-O 2.82Å; T60-G63 VanDerWaalsContact N-O 3.1Å; T60-G63 PolarHBondContact OG1-N 3Å; T60-G63 PolarHBondContact OG1-O 2.74Å; T60-G63 VanDerWaalsContact OG1-O 3.12Å
64Y96.1Very high95.6Very high106 Ų10646.7 Ų46.742%0.41625%0.254SS..EExtended strand (participates in β ladder)trans-153.1162.1177.363.3-92.5000110.9K57 I58 T60 Y66K57-Y64 HydrophobicContact CD-CD2 4.03Å; K57-Y64 HydrophobicContact CD-CE2 4.48Å; K57-Y64 HydrophobicContact CD-CG 4.11Å; K57-Y64 VanDerWaalsContact CE-CB 3.41Å; K57-Y64 HydrophobicContact CG-CD2 3.79Å; K57-Y64 HydrophobicContact CG-CG 4.02Å; I58-Y64 VanDerWaalsContact O-CA 3.22Å; I58-Y64 WeakPolarHBondContact O-CA 3.5Å; I58-Y64 WeakPolarHBondContact O-CB 3.46Å; T60-Y64 PolarHBondContact OG1-N 3.4Å; Y64-Y66 HydrophobicContact CD2-CE2 4.11Å; Y64-Y66 AromaticContact CE2-CE2 3.71Å; Y64-Y66 HydrophobicContact CE2-CE2 3.71Å
65V96.8Very high95.5Very high1 Ų145.4 Ų45.41%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-134.2167.8171.5-63.90000109.6I19 L21 T39 F41 M44 K57 I58 T60I19-V65 HydrophobicContact CG2-CB 3.76Å; I19-V65 HydrophobicContact CG2-CG1 3.95Å; I19-V65 HydrophobicContact CG2-CG2 3.85Å; L21-V65 HydrophobicContact CD2-CG1 3.56Å; T39-V65 HydrophobicContact CG2-CG1 4.4Å; F41-V65 HydrophobicContact CB-CG1 4.44Å; F41-V65 HydrophobicContact CD2-CG1 3.8Å; M44-V65 HydrophobicContact CG-CG2 4.23Å; M44-V65 HydrophobicContact SD-CG2 3.56Å; M44-V65 VanDerWaalsContact SD-CG2 3.56Å; K57-V65 CarbonylContact C-O 3.6Å; K57-V65 WeakPolarHBondContact CA-O 3.35Å; I58-V65 HydrophobicContact CB-CG2 4.07Å; I58-V65 PolarHBondContact N-O 2.83Å; I58-V65 PolarHBondContact O-N 3.43Å; T60-V65 HydrophobicContact CG2-CG1 4.03Å; T60-V65 HydrophobicContact CG2-CG2 3.89Å
66Y96.7Very high95.5Very high90 Ų9043.6 Ų43.635%0.35323%0.23SC..EExtended strand (participates in β ladder)trans-107.3145.3165.6-65.8-88.2000109.7I19 D20 G55 K57 Y64I19-Y66 WeakPolarHBondContact CA-O 3.37Å; D20-Y66 PolarHBondContact N-O 2.82Å; D20-Y66 PolarHBondContact O-N 3.38Å; G55-Y66 WeakPolarHBondContact O-CD1 3.17Å; K57-Y66 HydrophobicContact CB-CD1 4.21Å; K57-Y66 HydrophobicContact CB-CE1 3.8Å; K57-Y66 HydrophobicContact CG-CE1 4.34Å; Y64-Y66 HydrophobicContact CD2-CE2 4.11Å; Y64-Y66 AromaticContact CE2-CE2 3.71Å; Y64-Y66 HydrophobicContact CE2-CE2 3.71Å
67I96.2Very high95.1Very high0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-104.6128.5170.856.5172.4000109A11 I18 M44 C49 G55 S56 I58A11-I67 HydrophobicContact CB-CD1 4.12Å; I18-I67 CarbonylContact O-C 2.93Å; I18-I67 WeakPolarHBondContact O-CA 3.23Å; M44-I67 HydrophobicContact SD-CG2 4.07Å; C49-I67 HydrophobicContact CB-CD1 3.85Å; G55-I67 WeakPolarHBondContact CA-O 3.43Å; G55-I67 PolarHBondContact N-O 2.92Å; S56-I67 PolarHBondContact O-N 2.89Å; I58-I67 HydrophobicContact CD1-CD1 3.89Å; I58-I67 HydrophobicContact CD1-CG1 4.14Å; I58-I67 HydrophobicContact CG1-CB 4.42Å; I58-I67 HydrophobicContact CG1-CD1 4.07Å; I58-I67 HydrophobicContact CG1-CG1 3.94Å; I58-I67 HydrophobicContact CG1-CG2 3.74Å
68L95.2Very high94.8Very high49 Ų4942.9 Ų42.926%0.25723%0.227SC..EExtended strand (participates in β ladder)trans-117.4151.3178.5-50.6174.5000109.2I18 D20 L74I18-L68 HydrophobicContact CB-CB 4.19Å; I18-L68 PolarHBondContact N-O 3.36Å; I18-L68 PolarHBondContact O-N 2.94Å; D20-L68 HydrophobicContact CB-CD1 4.06Å; D20-L68 HydrophobicContact CB-CG 4.45Å; L68-L74 HydrophobicContact CB-CD1 4.28Å; L68-L74 HydrophobicContact CD1-CD1 3.75Å
69A94.5Very high94.5Very high23 Ų2343.2 Ų43.219%0.1923%0.229CC..EExtended strand (participates in β ladder)trans-64.8156.417500000109.9Y54 S71Y54-A69 HydrophobicContact CD1-CB 4.01Å; Y54-A69 HydrophobicContact CD2-CB 3.95Å; Y54-A69 HydrophobicContact CE1-CB 4.27Å; Y54-A69 HydrophobicContact CE2-CB 4.26Å; Y54-A69 HydrophobicContact CG-CB 3.8Å; A69-S71 PolarHBondContact O-N 2.81Å
70L95Very high94.2Very high6 Ų640.5 Ų40.53%0.03122%0.222CC..  trans-57127.8172.9-174.765.8000109.2F6 I18 W75 H150F6-L70 HydrophobicContact CD1-CD2 4.4Å; F6-L70 HydrophobicContact CD1-CG 4.27Å; F6-L70 HydrophobicContact CE1-CD2 4Å; F6-L70 HydrophobicContact CE1-CG 4.12Å; I18-L70 HydrophobicContact CD1-CD1 4.32Å; L70-W75 HydrophobicContact CD1-CB 4.14Å; L70-H150 HydrophobicContact CD2-CB 3.86Å
71S93.8Very high93.8Very high35 Ų3545.4 Ų45.425%0.24524%0.244CC..  trans-135132176164.60000107.5A69 A73 L74 W75A69-S71 PolarHBondContact O-N 2.81Å; S71-A73 PolarHBondContact O-N 2.84Å; S71-A73 PolarHBondContact OG-N 2.85Å; S71-L74 PolarHBondContact O-N 2.93Å; S71-W75 VanDerWaalsContact O-CB 3.25Å; S71-W75 WeakPolarHBondContact O-CB 3.43Å; S71-W75 PolarHBondContact O-N 2.78Å
72P95.7Very high93.5Very high1 Ų145 Ų451%0.00623%0.232CC..Hα-helixtrans-54-38178.3-28.136.6000113F6 S76 H118 F119 Q122F6-P72 HydrophobicContact CD1-CG 4.15Å; F6-P72 HydrophobicContact CE1-CG 3.73Å; F6-P72 HydrophobicContact CZ-CG 4.17Å; P72-S76 WeakPolarHBondContact O-CB 3.39Å; P72-S76 PolarHBondContact O-N 2.74Å; P72-S76 PolarHBondContact O-OG 3.36Å; P72-H118 HydrophobicContact CB-CB 3.86Å; P72-H118 HydrophobicContact CG-CB 4.12Å; P72-H118 WeakPolarHBondContact CG-O 3.25Å; P72-F119 HydrophobicContact CB-CB 4.43Å; P72-F119 HydrophobicContact CB-CD1 3.91Å; P72-F119 HydrophobicContact CB-CD2 3.5Å; P72-F119 VanDerWaalsContact CB-CD2 3.5Å; P72-F119 HydrophobicContact CB-CE1 3.98Å; P72-F119 HydrophobicContact CB-CE2 3.57Å; P72-F119 HydrophobicContact CB-CG 3.67Å; P72-F119 HydrophobicContact CB-CZ 3.8Å; P72-Q122 HydrophobicContact CG-CB 3.93Å; P72-Q122 HydrophobicContact CG-CG 4.44Å
73A93.7Very high93.5Very high35 Ų3540.1 Ų40.129%0.28921%0.212SC..Hα-helixtrans-65.5-49.817800000112.4S71 S76 P88 F119S71-A73 PolarHBondContact O-N 2.84Å; S71-A73 PolarHBondContact OG-N 2.85Å; A73-S76 WeakPolarHBondContact O-CB 3.23Å; A73-S76 PolarHBondContact O-N 2.79Å; A73-P88 HydrophobicContact CB-CB 4.34Å; A73-P88 HydrophobicContact CB-CG 4.28Å; A73-F119 HydrophobicContact CB-CZ 4.14Å
74L93.7Very high93.4Very high41 Ų4144.5 Ų44.522%0.21523%0.226CC..Hα-helixtrans-68.9-36.5178.6-63.3178000112.1I18 L68 S71 S76 E77I18-L74 HydrophobicContact CD1-CB 4.43Å; I18-L74 HydrophobicContact CG1-CB 4.03Å; I18-L74 HydrophobicContact CG1-CD1 4.43Å; I18-L74 HydrophobicContact CG2-CB 4.27Å; I18-L74 HydrophobicContact CG2-CD1 4.43Å; L68-L74 HydrophobicContact CB-CD1 4.28Å; L68-L74 HydrophobicContact CD1-CD1 3.75Å; S71-L74 PolarHBondContact O-N 2.93Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.24Å; L74-E77 WeakPolarHBondContact O-CB 3.39Å; L74-E77 PolarHBondContact O-N 3.35Å
75W94.8Very high93.3Very high10 Ų1039.8 Ų39.84%0.03821%0.208CC..Hα-helixtrans-59.3-42.4174.5170.5-116.5000110.9T28 L70 S71 E77 T78 L79 H118 E146 H150T28-W75 HydrophobicContact CG2-CE3 3.74Å; T28-W75 HydrophobicContact CG2-CZ3 3.53Å; L70-W75 HydrophobicContact CD1-CB 4.14Å; S71-W75 VanDerWaalsContact O-CB 3.25Å; S71-W75 WeakPolarHBondContact O-CB 3.43Å; S71-W75 PolarHBondContact O-N 2.78Å; W75-E77 PolarHBondContact O-N 3.48Å; W75-E77 VanDerWaalsContact O-N 3.09Å; W75-T78 PolarHBondContact O-N 3.03Å; W75-T78 PolarHBondContact O-OG1 3.2Å; W75-L79 HydrophobicContact CD2-CB 4.02Å; W75-L79 VanDerWaalsContact CE2-CB 3.46Å; W75-L79 HydrophobicContact CE3-CB 4.43Å; W75-L79 HydrophobicContact CH2-CB 3.92Å; W75-L79 HydrophobicContact CZ2-CB 3.41Å; W75-L79 VanDerWaalsContact CZ2-CB 3.41Å; W75-L79 HydrophobicContact CZ3-CB 4.39Å; W75-L79 PolarHBondContact O-N 3.08Å; W75-H118 AromaticContact CD1-CD2 3.73Å; W75-H118 AromaticContact CD1-CE1 3.62Å; W75-H118 AromaticContact CD1-CG 3.6Å; W75-H118 AromaticContact CD1-ND1 3.52Å; W75-H118 AromaticContact CD1-NE2 3.76Å; W75-H118 AromaticContact NE1-CE1 3.24Å; W75-H118 PolarHBondContact NE1-CE1 2.88Å; W75-H118 AromaticContact NE1-ND1 3.46Å; W75-H118 PolarHBondContact NE1-ND1 3.4Å; W75-H118 AromaticContact NE1-NE2 3.69Å; W75-E146 HydrophobicContact CH2-CG 4.39Å; W75-E146 VanDerWaalsContact CZ2-CD 3.48Å; W75-E146 HydrophobicContact CZ2-CG 4.03Å; W75-H150 AromaticContact CD2-CE1 3.93Å; W75-H150 AromaticContact CE2-CE1 3.71Å; W75-H150 AromaticContact CE3-CE1 3.99Å; W75-H150 AromaticContact CH2-CE1 3.65Å; W75-H150 AromaticContact CZ2-CE1 3.59Å; W75-H150 AromaticContact CZ3-CE1 3.86Å
76S93.7Very high93.2Very high3 Ų339.9 Ų39.92%0.02121%0.208CC..Hα-helixtrans-57-26.1178.6-59.60000114.1P72 A73 L74 S115P72-S76 WeakPolarHBondContact O-CB 3.39Å; P72-S76 PolarHBondContact O-N 2.74Å; P72-S76 PolarHBondContact O-OG 3.36Å; A73-S76 WeakPolarHBondContact O-CB 3.23Å; A73-S76 PolarHBondContact O-N 2.79Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.24Å; S76-S115 PolarHBondContact OG-OG 3.01Å; S76-S115 VanDerWaalsContact OG-OG 3.11Å
77E89.4Confident93.1Very high95 Ų9537.5 Ų37.544%0.44420%0.199SC..Hα-helixtrans-80-22.3176.4-60.3173-172.900113.4N26 L74 W75N26-E77 PolarHBondContact ND2-OE2 3.39Å; L74-E77 WeakPolarHBondContact O-CB 3.39Å; L74-E77 PolarHBondContact O-N 3.35Å; W75-E77 PolarHBondContact O-N 3.48Å; W75-E77 VanDerWaalsContact O-N 3.09Å
78T90.7Very high93Very high30 Ų3039.1 Ų39.118%0.18421%0.209CC..Hα-helixtrans-114.5-13.7-168.8640000114.1N26 T28 W75N26-T78 VanDerWaalsContact C-CG2 3.45Å; N26-T78 HydrophobicContact CB-CG2 3.32Å; N26-T78 WeakPolarHBondContact O-CG2 3.35Å; T28-T78 WeakPolarHBondContact OG1-CB 3.39Å; T28-T78 PolarHBondContact OG1-OG1 3.35Å; W75-T78 PolarHBondContact O-N 3.03Å; W75-T78 PolarHBondContact O-OG1 3.2Å
79L92.2Very high92.9Very high6 Ų638.6 Ų38.63%0.03121%0.209CC..SBendtrans-61.6147-172.768.784000111.9W75 H81 I85W75-L79 HydrophobicContact CD2-CB 4.02Å; W75-L79 VanDerWaalsContact CE2-CB 3.46Å; W75-L79 HydrophobicContact CE3-CB 4.43Å; W75-L79 HydrophobicContact CH2-CB 3.92Å; W75-L79 HydrophobicContact CZ2-CB 3.41Å; W75-L79 VanDerWaalsContact CZ2-CB 3.41Å; W75-L79 HydrophobicContact CZ3-CB 4.39Å; W75-L79 PolarHBondContact O-N 3.08Å; L79-H81 PolarHBondContact O-N 3.14Å; L79-H81 VanDerWaalsContact O-N 3.13Å; L79-I85 HydrophobicContact CD1-CG2 4.04Å; L79-I85 HydrophobicContact CD2-CD1 4.12Å; L79-I85 HydrophobicContact CD2-CG2 4.41Å
80P89.6Confident93Very high69 Ų6937.8 Ų37.845%0.44820%0.202SC..  trans-70.7108.6171.727.9-31.6000109.7R82P80-R82 PolarHBondContact O-N 3.24Å; P80-R82 VanDerWaalsContact O-N 3.07Å
81H89.2Confident93.1Very high109 Ų10937.5 Ų37.551%0.50520%0.2SC..  trans-64.2109.8178.9-73.1-85.9000111.4L79L79-H81 PolarHBondContact O-N 3.14Å; L79-H81 VanDerWaalsContact O-N 3.13Å
82R90Very high93.2Very high62 Ų6239 Ų3923%0.23421%0.211CC..SBendtrans-95.6-27.5169.6-62.5178-73.2-91.77.4111.1P80 S113 E146P80-R82 PolarHBondContact O-N 3.24Å; P80-R82 VanDerWaalsContact O-N 3.07Å; R82-S113 PolarHBondContact N-OG 3.33Å; R82-S113 PolarHBondContact NH2-O 2.71Å; R82-E146 IonicContact CZ-OE1 3.99Å; R82-E146 IonicContact CZ-OE2 3.8Å; R82-E146 IonicContact NH1-OE1 2.78Å; R82-E146 IonicContact NH1-OE2 3.2Å; R82-E146 PolarHBondContact NH1-OE2 2.77Å; R82-E146 IonicContact NH2-OE1 3.84Å; R82-E146 PolarHBondContact NH2-OE1 3.05Å; R82-E146 IonicContact NH2-OE2 2.91Å
83T91.6Very high93.3Very high44 Ų4442 Ų4227%0.2723%0.226SC..SBendtrans-143.3173.5-178.862.50000109.7G112 S113T83-G112 WeakPolarHBondContact OG1-CA 3.37Å; T83-S113 PolarHBondContact N-OG 3.14Å; T83-S113 PolarHBondContact O-OG 2.71Å; T83-S113 PolarHBondContact OG1-N 3.25Å; T83-S113 PolarHBondContact OG1-OG 3.1Å
84Q92.1Very high93.5Very high120 Ų12040.3 Ų40.356%0.56121%0.213SC*.  trans-59.2146158.7-173.556.533.700109.4
85I94.1Very high93.7Very high6 Ų639.6 Ų39.63%0.03121%0.21CC..  trans-116.7158-178.866.5170.1000112.3L79 Y87 H341L79-I85 HydrophobicContact CD1-CG2 4.04Å; L79-I85 HydrophobicContact CD2-CD1 4.12Å; L79-I85 HydrophobicContact CD2-CG2 4.41Å; I85-Y87 HydrophobicContact CD1-CD1 4.04Å; I85-Y87 HydrophobicContact CD1-CE1 3.81Å; I85-Y87 HydrophobicContact CG1-CD1 4.27Å; I85-Y87 HydrophobicContact CG1-CE1 4Å; I85-Y87 HydrophobicContact CG1-CE2 4.35Å; I85-H341 PolarHBondContact O-ND1 3.24Å
86I95.2Very high93.8Very high4 Ų441.4 Ų41.42%0.02123%0.231CC..  trans-81.9123.5161.9-60.8177.3000107.9D90 A91 I94 S115 L116 D186 F212I86-D90 HydrophobicContact CG2-CB 3.71Å; I86-A91 HydrophobicContact CG2-CB 4.06Å; I86-I94 HydrophobicContact CD1-CD1 3.98Å; I86-I94 HydrophobicContact CG2-CD1 3.98Å; I86-S115 PolarHBondContact O-OG 2.86Å; I86-L116 HydrophobicContact CB-CB 4.37Å; I86-L116 HydrophobicContact CD1-CB 4.3Å; I86-L116 HydrophobicContact CD1-CD2 3.8Å; I86-D186 HydrophobicContact CD1-CB 4.41Å; I86-F212 HydrophobicContact CD1-CB 4.29Å; I86-F212 HydrophobicContact CD1-CD1 4.46Å; I86-F212 HydrophobicContact CD1-CG 4.15Å; I86-F212 HydrophobicContact CG1-CD1 4.45Å; I86-F212 HydrophobicContact CG1-CG 4.45Å
87Y93.9Very high94Very high40 Ų4042 Ų4216%0.15724%0.238CC..  trans-83.4163.8-177.3-75.4-74.7000111.7I85 C89 D90 A91 P339 H341I85-Y87 HydrophobicContact CD1-CD1 4.04Å; I85-Y87 HydrophobicContact CD1-CE1 3.81Å; I85-Y87 HydrophobicContact CG1-CD1 4.27Å; I85-Y87 HydrophobicContact CG1-CE1 4Å; I85-Y87 HydrophobicContact CG1-CE2 4.35Å; Y87-C89 VanDerWaalsContact C-N 3.35Å; Y87-C89 PolarHBondContact O-N 2.7Å; Y87-D90 PolarHBondContact O-N 3.31Å; Y87-A91 WeakPolarHBondContact O-CB 3.02Å; Y87-A91 PolarHBondContact O-N 2.94Å; Y87-P339 HydrophobicContact CD1-CB 4.36Å; Y87-P339 WeakPolarHBondContact CD1-O 3.21Å; Y87-P339 WeakPolarHBondContact CD2-O 3.17Å; Y87-P339 HydrophobicContact CE1-CB 3.78Å; Y87-H341 HydrophobicContact CD2-CB 4.43Å; Y87-H341 AromaticContact CD2-ND1 3.63Å
88P94.2Very high94.5Very high33 Ų3337.7 Ų37.721%0.21422%0.218CC..Hα-helixtrans-52.9-37.3-175.7-31.938.4000116.5A73 S92 F119A73-P88 HydrophobicContact CB-CB 4.34Å; A73-P88 HydrophobicContact CB-CG 4.28Å; P88-S92 VanDerWaalsContact O-CB 3.29Å; P88-S92 WeakPolarHBondContact O-CB 3.35Å; P88-S92 PolarHBondContact O-N 2.85Å; P88-S92 PolarHBondContact O-OG 3.4Å; P88-F119 HydrophobicContact CB-CE1 4.4Å; P88-F119 HydrophobicContact CB-CZ 3.73Å; P88-F119 HydrophobicContact CG-CE2 4.46Å; P88-F119 HydrophobicContact CG-CZ 3.95Å
89C94.4Very high94.7Very high39 Ų3941 Ų4126%0.26423%0.234SC..Hα-helixtrans-59.6-56.1176.5-175.30000110.8Y87 A91 S92 L93 C239 E241Y87-C89 VanDerWaalsContact C-N 3.35Å; Y87-C89 PolarHBondContact O-N 2.7Å; C89-A91 PolarHBondContact O-N 2.83Å; C89-S92 PolarHBondContact O-N 2.95Å; C89-L93 PolarHBondContact O-N 2.98Å; C89-C239 HydrophobicContact CB-CB 4.4Å; C89-C239 WeakPolarHBondContact CB-SG 3.34Å; C89-C239 WeakPolarHBondContact SG-CB 3.43Å; C89-C239 CovalentContact SG-SG 2.08Å; C89-C239 PolarHBondContact SG-SG 3.22Å; C89-E241 HydrophobicContact CB-CB 4.43Å
90D96Very high95Very high6 Ų641.5 Ų41.53%0.03224%0.237CC..Hα-helixtrans-63.5-42.5-178.4-63.8-59.4000111.1I86 Y87 S92 L93 I94 C239 H341 I345I86-D90 HydrophobicContact CG2-CB 3.71Å; Y87-D90 PolarHBondContact O-N 3.31Å; D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 PolarHBondContact O-N 2.93Å; D90-L93 PolarHBondContact O-N 3.48Å; D90-I94 WeakPolarHBondContact O-CB 3.48Å; D90-I94 WeakPolarHBondContact O-CG1 3.5Å; D90-I94 PolarHBondContact O-N 2.96Å; D90-C239 WeakPolarHBondContact OD1-CB 3.5Å; D90-H341 VanDerWaalsContact CG-NE2 3.32Å; D90-H341 IonicContact OD1-NE2 3.27Å; D90-H341 IonicContact OD2-CD2 2.97Å; D90-H341 IonicContact OD2-CE1 3.04Å; D90-H341 PolarHBondContact OD2-CE1 3.2Å; D90-H341 IonicContact OD2-ND1 2.79Å; D90-H341 IonicContact OD2-NE2 3.65Å; D90-H341 PolarHBondContact OD2-NE2 3.25Å; D90-I345 HydrophobicContact CB-CD1 3.98Å; D90-I345 WeakPolarHBondContact OD1-CD1 3.18Å
91A96.8Very high95.4Very high0 Ų041.9 Ų41.90%024%0.238CC..Hα-helixtrans-60.2-41.5177.300000111.9I86 Y87 C89 I94 V95 L116 F119I86-A91 HydrophobicContact CG2-CB 4.06Å; Y87-A91 WeakPolarHBondContact O-CB 3.02Å; Y87-A91 PolarHBondContact O-N 2.94Å; C89-A91 PolarHBondContact O-N 2.83Å; A91-I94 PolarHBondContact O-N 2.97Å; A91-V95 VanDerWaalsContact O-CG2 3.32Å; A91-V95 WeakPolarHBondContact O-CG2 3.45Å; A91-V95 PolarHBondContact O-N 2.84Å; A91-L116 HydrophobicContact CB-CD1 4Å; A91-F119 HydrophobicContact CB-CB 4.22Å; A91-F119 HydrophobicContact CB-CD1 4Å; A91-F119 HydrophobicContact CB-CD2 3.63Å; A91-F119 HydrophobicContact CB-CE1 4.25Å; A91-F119 HydrophobicContact CB-CE2 3.91Å; A91-F119 HydrophobicContact CB-CG 3.69Å; A91-F119 HydrophobicContact CB-CZ 4.21Å
92S96.4Very high95.7Very high67 Ų6740.7 Ų40.747%0.46924%0.24SC..Hα-helixtrans-65.7-40.8176.2-57.20000111.7P88 C89 D90 V95 G96P88-S92 VanDerWaalsContact O-CB 3.29Å; P88-S92 WeakPolarHBondContact O-CB 3.35Å; P88-S92 PolarHBondContact O-N 2.85Å; P88-S92 PolarHBondContact O-OG 3.4Å; C89-S92 PolarHBondContact O-N 2.95Å; D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 PolarHBondContact O-N 2.93Å; S92-V95 PolarHBondContact O-N 2.87Å; S92-G96 PolarHBondContact O-N 3.03Å
93L96.9Very high96Very high63 Ų6339.1 Ų39.133%0.3324%0.243SC..Hα-helixtrans-65-38.3174.9-178.857.3000111.9C89 D90 G97 V237 C239 I345 F347C89-L93 PolarHBondContact O-N 2.98Å; D90-L93 PolarHBondContact O-N 3.48Å; L93-G97 WeakPolarHBondContact O-CA 3.45Å; L93-G97 PolarHBondContact O-N 3.03Å; L93-V237 HydrophobicContact CD2-CG2 3.91Å; L93-C239 HydrophobicContact CD2-CB 4.2Å; L93-I345 HydrophobicContact CB-CD1 4.48Å; L93-I345 HydrophobicContact CD2-CD1 3.82Å; L93-I345 HydrophobicContact CG-CD1 4.29Å; L93-F347 HydrophobicContact CG-CE2 4.46Å; L93-F347 HydrophobicContact CG-CZ 4.34Å; L93-F347 WeakPolarHBondContact O-CZ 3.39Å
94I98.2Very high96.3Very high0 Ų039.9 Ų39.90%024%0.243CC..Hα-helixtrans-64.7-49.7175.3-69.3168.8000110.6I86 D90 A91 G96 G97 L98 L116 V184 C210 I345I86-I94 HydrophobicContact CD1-CD1 3.98Å; I86-I94 HydrophobicContact CG2-CD1 3.98Å; D90-I94 WeakPolarHBondContact O-CB 3.48Å; D90-I94 WeakPolarHBondContact O-CG1 3.5Å; D90-I94 PolarHBondContact O-N 2.96Å; A91-I94 PolarHBondContact O-N 2.97Å; I94-G96 PolarHBondContact O-N 3.37Å; I94-G97 PolarHBondContact O-N 3.1Å; I94-L98 HydrophobicContact CG2-CD1 3.95Å; I94-L98 HydrophobicContact CG2-CG 4.47Å; I94-L98 VanDerWaalsContact O-CB 3.31Å; I94-L98 WeakPolarHBondContact O-CB 3.45Å; I94-L98 WeakPolarHBondContact O-CG 3.43Å; I94-L98 PolarHBondContact O-N 3.4Å; I94-L116 HydrophobicContact CB-CD1 4.47Å; I94-L116 HydrophobicContact CD1-CD1 4.35Å; I94-L116 HydrophobicContact CG2-CD1 4.18Å; I94-V184 HydrophobicContact CG2-CG1 4.41Å; I94-V184 HydrophobicContact CG2-CG2 4.04Å; I94-C210 HydrophobicContact CG2-CB 4.31Å; I94-I345 HydrophobicContact CG1-CD1 4.27Å; I94-I345 HydrophobicContact CG1-CG2 4.11Å
95V98.4Very high96.5Very high26 Ų2636.9 Ų36.916%0.15823%0.226CC..Hα-helixtrans-58-48.9178.4167.50000110.9A91 S92 L98 D99 L100 F119 L120 A123A91-V95 VanDerWaalsContact O-CG2 3.32Å; A91-V95 WeakPolarHBondContact O-CG2 3.45Å; A91-V95 PolarHBondContact O-N 2.84Å; S92-V95 PolarHBondContact O-N 2.87Å; V95-L98 PolarHBondContact O-N 2.92Å; V95-D99 PolarHBondContact O-N 3.24Å; V95-L100 HydrophobicContact CG1-CB 4.23Å; V95-L100 HydrophobicContact CG2-CD1 4.37Å; V95-L100 PolarHBondContact O-N 2.98Å; V95-F119 HydrophobicContact CG2-CB 4.02Å; V95-L120 HydrophobicContact CG2-CD2 4.32Å; V95-A123 HydrophobicContact CG1-CB 3.66Å; V95-A123 HydrophobicContact CG2-CB 4.48Å
96G97.9Very high96.8Very high47 Ų4736.6 Ų36.649%0.48523%0.225SC..Hα-helixtrans-66-43.3178.200000112.9S92 I94 L98 D99S92-G96 PolarHBondContact O-N 3.03Å; I94-G96 PolarHBondContact O-N 3.37Å; G96-L98 VanDerWaalsContact C-N 3.27Å; G96-L98 PolarHBondContact O-N 2.99Å; G96-D99 PolarHBondContact O-N 3.04Å; G96-D99 VanDerWaalsContact O-N 3.1Å
97G97.5Very high96.9Very high16 Ų1636.4 Ų36.417%0.16522%0.224CC..Hα-helixtrans-71.1-19.7-179.500000114.4L93 I94 R208L93-G97 WeakPolarHBondContact O-CA 3.45Å; L93-G97 PolarHBondContact O-N 3.03Å; I94-G97 PolarHBondContact O-N 3.1Å; G97-R208 PolarHBondContact O-NE 2.79Å; G97-R208 PolarHBondContact O-NH2 2.97Å
98L98.3Very high97.1Very high4 Ų434.8 Ų34.82%0.02122%0.218CC..THydrogen-bonded Turntrans-89.90.5171.5-73.4-177.6000113.8I94 V95 G96 L100 A182 V184 R208 C210I94-L98 HydrophobicContact CG2-CD1 3.95Å; I94-L98 HydrophobicContact CG2-CG 4.47Å; I94-L98 VanDerWaalsContact O-CB 3.31Å; I94-L98 WeakPolarHBondContact O-CB 3.45Å; I94-L98 WeakPolarHBondContact O-CG 3.43Å; I94-L98 PolarHBondContact O-N 3.4Å; V95-L98 PolarHBondContact O-N 2.92Å; G96-L98 VanDerWaalsContact C-N 3.27Å; G96-L98 PolarHBondContact O-N 2.99Å; L98-L100 HydrophobicContact CB-CD1 4.33Å; L98-L100 HydrophobicContact CB-CD2 3.92Å; L98-L100 HydrophobicContact CB-CG 3.74Å; L98-L100 HydrophobicContact CD1-CD1 4.39Å; L98-L100 PolarHBondContact O-N 3.37Å; L98-A182 HydrophobicContact CB-CB 4.4Å; L98-A182 HydrophobicContact CD1-CB 4.18Å; L98-A182 HydrophobicContact CD2-CB 4.24Å; L98-V184 HydrophobicContact CD1-CG2 3.39Å; L98-R208 HydrophobicContact CD2-CB 3.58Å; L98-C210 HydrophobicContact CD1-CB 3.93Å; L98-C210 HydrophobicContact CD2-CB 3.66Å; L98-C210 HydrophobicContact CG-CB 3.86Å
99D96.8Very high97.3Very high99 Ų9933.2 Ų33.253%0.52921%0.208SC..THydrogen-bonded Turntrans53.637.9-177.5-56.1-53.6000112.4V95 G96 V101 R208V95-D99 PolarHBondContact O-N 3.24Å; G96-D99 PolarHBondContact O-N 3.04Å; G96-D99 VanDerWaalsContact O-N 3.1Å; D99-V101 PolarHBondContact O-N 2.79Å; D99-R208 IonicContact OD2-CZ 3.97Å; D99-R208 IonicContact OD2-NE 3.81Å; D99-R208 IonicContact OD2-NH2 2.99Å
100L97.9Very high97.4Very high17 Ų1732.2 Ų32.29%0.08920%0.204CC..  trans-71.9130.2-178.3-59.1-176.5000110.8V95 L98 V106 L120 A123 A182V95-L100 HydrophobicContact CG1-CB 4.23Å; V95-L100 HydrophobicContact CG2-CD1 4.37Å; V95-L100 PolarHBondContact O-N 2.98Å; L98-L100 HydrophobicContact CB-CD1 4.33Å; L98-L100 HydrophobicContact CB-CD2 3.92Å; L98-L100 HydrophobicContact CB-CG 3.74Å; L98-L100 HydrophobicContact CD1-CD1 4.39Å; L98-L100 PolarHBondContact O-N 3.37Å; L100-V106 HydrophobicContact CD1-CG2 4.14Å; L100-V106 HydrophobicContact CD2-CG2 3.57Å; L100-L120 HydrophobicContact CD1-CD2 3.43Å; L100-L120 VanDerWaalsContact CD1-CD2 3.43Å; L100-A123 HydrophobicContact CB-CB 3.86Å; L100-A123 HydrophobicContact CD1-CB 4.44Å; L100-A182 HydrophobicContact CD2-CB 3.78Å
101V96.5Very high97.5Very high78 Ų7832.2 Ų32.247%0.47320%0.204SC..  trans-141.1163.6179.4-66.50000109.2D99 G103 K104 A123D99-V101 PolarHBondContact O-N 2.79Å; V101-G103 PolarHBondContact O-N 3.43Å; V101-K104 HydrophobicContact CG2-CD 4.42Å; V101-K104 HydrophobicContact CG2-CG 3.74Å; V101-K104 WeakPolarHBondContact O-CB 3.34Å; V101-K104 WeakPolarHBondContact O-CG 3.34Å; V101-K104 PolarHBondContact O-N 2.84Å; V101-A123 CarbonylContact C-O 3.59Å
102P96.4Very high97.4Very high84 Ų8432.7 Ų32.755%0.54521%0.209SC..THydrogen-bonded Turntrans-48.7132.3177-34.139.2000113.3A123 V124 L125P102-A123 WeakPolarHBondContact CD-O 3.05Å; P102-A123 VanDerWaalsContact N-O 3.15Å; P102-V124 WeakPolarHBondContact CA-O 3.14Å; P102-L125 WeakPolarHBondContact CA-O 3.42Å; P102-L125 WeakPolarHBondContact CB-O 3.46Å; P102-L125 WeakPolarHBondContact CG-O 2.94Å
103G95.9Very high97.4Very high29 Ų2929.6 Ų29.630%0.29919%0.187SC..THydrogen-bonded Turntrans96.2-11.7-179.900000115.6V101 V124V101-G103 PolarHBondContact O-N 3.43Å; G103-V124 PolarHBondContact N-O 3.47Å
104K97.5Very high97.4Very high59 Ų5926.7 Ų26.726%0.25717%0.172SC..  trans-70.1145.8179.8-68.4-73.5178176.90112.6V101 V124 G128 H129 D181V101-K104 HydrophobicContact CG2-CD 4.42Å; V101-K104 HydrophobicContact CG2-CG 3.74Å; V101-K104 WeakPolarHBondContact O-CB 3.34Å; V101-K104 WeakPolarHBondContact O-CG 3.34Å; V101-K104 PolarHBondContact O-N 2.84Å; K104-V124 HydrophobicContact CB-CG1 4.01Å; K104-V124 WeakPolarHBondContact O-CB 2.91Å; K104-G128 WeakPolarHBondContact O-CA 3.15Å; K104-H129 PolarHBondContact O-N 3.38Å; K104-H129 VanDerWaalsContact O-N 3.12Å; K104-D181 WeakPolarHBondContact CA-OD2 3.46Å; K104-D181 HydrophobicContact CB-CB 4.41Å; K104-D181 HydrophobicContact CD-CB 3.51Å; K104-D181 VanDerWaalsContact CD-OD1 3.32Å; K104-D181 WeakPolarHBondContact CD-OD1 3.48Å; K104-D181 WeakPolarHBondContact CD-OD2 3.48Å; K104-D181 IonicContact NZ-OD1 3.48Å; K104-D181 PolarHBondContact NZ-OD1 3.35Å
105W98Very high97.3Very high58 Ų5826.9 Ų26.922%0.2217%0.174CC..EExtended strand (participates in β ladder)trans-103.7128.8173.3-77.248.6000109.9H129 Y131 P177 V180 D181 A182W105-H129 WeakPolarHBondContact CA-O 3.39Å; W105-H129 HydrophobicContact CD2-CB 4.09Å; W105-H129 AromaticContact CE2-CD2 3.45Å; W105-H129 VanDerWaalsContact CE2-CD2 3.45Å; W105-H129 HydrophobicContact CE3-CB 4.44Å; W105-H129 HydrophobicContact CG-CB 4.39Å; W105-H129 HydrophobicContact CZ2-CB 4.49Å; W105-H129 AromaticContact CZ2-CD2 3.37Å; W105-H129 WeakPolarHBondContact CZ2-CD2 3.3Å; W105-H129 AromaticContact NE1-CD2 3.57Å; W105-Y131 HydrophobicContact CE3-CD2 4.42Å; W105-Y131 AromaticContact CE3-CE2 3.86Å; W105-Y131 HydrophobicContact CE3-CE2 3.86Å; W105-Y131 HydrophobicContact CH2-CE2 4.29Å; W105-Y131 AromaticContact CZ3-CE2 3.61Å; W105-Y131 HydrophobicContact CZ3-CE2 3.61Å; W105-P177 HydrophobicContact CH2-CG 4.19Å; W105-P177 HydrophobicContact CZ3-CG 4.26Å; W105-V180 HydrophobicContact CB-CB 4.35Å; W105-V180 HydrophobicContact CB-CG1 4.16Å; W105-D181 PolarHBondContact N-OD2 3.3Å; W105-D181 PolarHBondContact O-N 2.99Å; W105-A182 PolarHBondContact O-N 3.39Å
106V98.6Very high97.3Very high0 Ų026 Ų260%017%0.168CC..EExtended strand (participates in β ladder)trans-128.6131.9-174-173.30000110.4L100 L120 V124 H129 V130 Y131 A182 V184L100-V106 HydrophobicContact CD1-CG2 4.14Å; L100-V106 HydrophobicContact CD2-CG2 3.57Å; V106-L120 HydrophobicContact CG1-CD1 4.19Å; V106-L120 HydrophobicContact CG1-CD2 4.44Å; V106-V124 HydrophobicContact CG2-CG1 3.91Å; V106-H129 PolarHBondContact N-O 2.81Å; V106-V130 WeakPolarHBondContact O-CA 3.42Å; V106-Y131 PolarHBondContact O-N 3.24Å; V106-A182 WeakPolarHBondContact CA-O 3.35Å; V106-A182 HydrophobicContact CG1-CB 4.41Å; V106-A182 HydrophobicContact CG2-CB 4.32Å; V106-V184 HydrophobicContact CG1-CG2 4.45Å
107F98.7Very high97.3Very high0 Ų023.7 Ų23.70%015%0.145CC..EExtended strand (participates in β ladder)trans-98.1136165.1-77.60.5000110.9Y131 F133 F168 P169 N176 V180 A182 V183 V184 I200F107-Y131 CarbonylContact C-O 3.11Å; F107-Y131 VanDerWaalsContact CA-O 3.32Å; F107-Y131 WeakPolarHBondContact CA-O 3.46Å; F107-Y131 HydrophobicContact CD1-CD2 4.36Å; F107-Y131 HydrophobicContact CD1-CG 4.31Å; F107-Y131 AromaticContact CE1-CD2 3.84Å; F107-Y131 HydrophobicContact CE1-CD2 3.84Å; F107-Y131 AromaticContact CE1-CG 3.82Å; F107-Y131 HydrophobicContact CE1-CG 3.82Å; F107-F133 HydrophobicContact CB-CE2 4.31Å; F107-F133 HydrophobicContact CD1-CE2 4.04Å; F107-F133 HydrophobicContact CD2-CE2 4.14Å; F107-F133 HydrophobicContact CE1-CE2 4.35Å; F107-F133 HydrophobicContact CE1-CZ 4.41Å; F107-F133 HydrophobicContact CE2-CE2 4.46Å; F107-F133 HydrophobicContact CE2-CZ 4.41Å; F107-F133 AromaticContact CG-CE2 3.91Å; F107-F133 HydrophobicContact CG-CE2 3.91Å; F107-F133 HydrophobicContact CZ-CZ 4.32Å; F107-F168 HydrophobicContact CB-CD1 4.12Å; F107-F168 HydrophobicContact CB-CE1 3.9Å; F107-F168 HydrophobicContact CB-CZ 4.43Å; F107-F168 HydrophobicContact CD2-CB 4.03Å; F107-F168 AromaticContact CD2-CD1 3.6Å; F107-F168 HydrophobicContact CD2-CD1 3.6Å; F107-F168 HydrophobicContact CD2-CE1 4.27Å; F107-F168 AromaticContact CD2-CG 3.95Å; F107-F168 HydrophobicContact CD2-CG 3.95Å; F107-F168 HydrophobicContact CE2-CB 4.25Å; F107-F168 HydrophobicContact CE2-CD1 4.36Å; F107-F168 HydrophobicContact CG-CD1 4.16Å; F107-F168 HydrophobicContact CG-CE1 4.41Å; F107-P169 HydrophobicContact CE2-CG 3.84Å; F107-P169 HydrophobicContact CZ-CG 3.9Å; F107-N176 HydrophobicContact CE2-CB 4.14Å; F107-N176 HydrophobicContact CZ-CB 3.73Å; F107-V180 HydrophobicContact CB-CG2 4.41Å; F107-V180 HydrophobicContact CD1-CB 4.47Å; F107-V180 HydrophobicContact CD1-CG1 3.46Å; F107-V180 VanDerWaalsContact CD1-CG1 3.46Å; F107-V180 HydrophobicContact CD2-CG1 4.07Å; F107-V180 HydrophobicContact CD2-CG2 4.14Å; F107-V180 HydrophobicContact CE1-CG1 3.43Å; F107-V180 VanDerWaalsContact CE1-CG1 3.43Å; F107-V180 HydrophobicContact CE2-CG1 4.02Å; F107-V180 HydrophobicContact CG-CB 4.49Å; F107-V180 HydrophobicContact CG-CG1 3.82Å; F107-V180 HydrophobicContact CG-CG2 4.13Å; F107-V180 HydrophobicContact CZ-CG1 3.73Å; F107-A182 PolarHBondContact N-O 3.36Å; F107-V183 HydrophobicContact CB-CG1 4.49Å; F107-V183 HydrophobicContact CB-CG2 4.44Å; F107-V183 CarbonylContact O-C 3.59Å; F107-V183 VanDerWaalsContact O-CA 3.27Å; F107-V183 WeakPolarHBondContact O-CA 3.29Å; F107-V184 PolarHBondContact O-N 3.48Å; F107-I200 HydrophobicContact CD2-CD1 3.86Å
108E98.7Very high97.3Very high5 Ų523 Ų232%0.02314%0.137CC..EExtended strand (participates in β ladder)trans-126.6136178177.8-170.7-129.200110L116 T117 L120 Y131 T132 F133 V184E108-L116 WeakPolarHBondContact OE1-CB 3.44Å; E108-L116 WeakPolarHBondContact OE1-CD2 3.43Å; E108-L116 WeakPolarHBondContact OE1-CG 3.45Å; E108-T117 PolarHBondContact OE1-N 2.93Å; E108-T117 PolarHBondContact OE1-OG1 2.58Å; E108-T117 PolarHBondContact OE2-OG1 2.66Å; E108-L120 HydrophobicContact CB-CD1 4.1Å; E108-L120 HydrophobicContact CG-CD1 4.27Å; E108-Y131 PolarHBondContact N-O 2.87Å; E108-T132 CarbonylContact O-C 3.57Å; E108-T132 WeakPolarHBondContact O-CA 3.49Å; E108-T132 WeakPolarHBondContact OE2-CB 3.42Å; E108-T132 PolarHBondContact OE2-OG1 3.43Å; E108-F133 WeakPolarHBondContact O-CD2 3.36Å; E108-F133 PolarHBondContact O-N 2.95Å; E108-V184 WeakPolarHBondContact CA-O 3.32Å
109A98.2Very high97.3Very high1 Ų123.5 Ų23.51%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-148129166.100000109.9F133 V163 F168 V184 L185 D186 L187A109-F133 HydrophobicContact CB-CB 4.34Å; A109-V163 HydrophobicContact CB-CB 4.3Å; A109-V163 HydrophobicContact CB-CG2 3.92Å; A109-F168 HydrophobicContact CB-CE1 4.04Å; A109-F168 HydrophobicContact CB-CZ 3.73Å; A109-V184 PolarHBondContact N-O 3.48Å; A109-L185 HydrophobicContact CB-CD2 4.46Å; A109-L185 CarbonylContact O-C 3.48Å; A109-L185 VanDerWaalsContact O-CA 3.25Å; A109-L185 WeakPolarHBondContact O-CA 3.49Å; A109-D186 CarbonylContact O-C 3.45Å; A109-D186 PolarHBondContact O-N 3.45Å; A109-L187 HydrophobicContact CB-CD1 4.23Å; A109-L187 HydrophobicContact CB-CD2 4.21Å; A109-L187 HydrophobicContact CB-CG 4.41Å; A109-L187 WeakPolarHBondContact O-CG 3.46Å
110G96.5Very high97.4Very high17 Ų1718.8 Ų18.818%0.17511%0.114CC..  cis-89.6153.4-1.200000115G112 F133 D186G110-G112 PolarHBondContact O-N 2.92Å; G110-F133 WeakPolarHBondContact CA-O 3.39Å; G110-D186 PolarHBondContact N-O 3.03Å
111T97.5Very high97.3Very high6 Ų618 Ų184%0.03711%0.11CC..  trans-61.8-40.8175.1-47.80000112.8S113 G114 T132 F133 A143 F147 V158T111-S113 PolarHBondContact O-N 2.85Å; T111-G114 PolarHBondContact O-N 3.07Å; T111-T132 WeakPolarHBondContact CA-OG1 3.36Å; T111-T132 WeakPolarHBondContact CB-OG1 3.43Å; T111-T132 HydrophobicContact CG2-CG2 3.71Å; T111-T132 WeakPolarHBondContact OG1-CG2 3.27Å; T111-T132 PolarHBondContact OG1-OG1 3.49Å; T111-F133 PolarHBondContact N-O 3.35Å; T111-A143 HydrophobicContact CG2-CB 3.84Å; T111-F147 HydrophobicContact CG2-CE2 4.12Å; T111-F147 HydrophobicContact CG2-CZ 4.31Å; T111-V158 HydrophobicContact CG2-CG1 4.26Å
112G95Very high97.3Very high10 Ų1018.3 Ų18.310%0.10311%0.106CC..THydrogen-bonded Turntrans58-121.4177.200000112.9T83 G110 D134T83-G112 WeakPolarHBondContact OG1-CA 3.37Å; G110-G112 PolarHBondContact O-N 2.92Å; G112-D134 PolarHBondContact N-OD2 3.47Å; G112-D134 VanDerWaalsContact N-OD2 3.1Å
113S95.3Very high97.4Very high3 Ų315.2 Ų15.22%0.0219%0.087CC..THydrogen-bonded Turntrans-97.29.1176.9-47.30000113.6R82 T83 T111 S115R82-S113 PolarHBondContact N-OG 3.33Å; R82-S113 PolarHBondContact NH2-O 2.71Å; T83-S113 PolarHBondContact N-OG 3.14Å; T83-S113 PolarHBondContact O-OG 2.71Å; T83-S113 PolarHBondContact OG1-N 3.25Å; T83-S113 PolarHBondContact OG1-OG 3.1Å; T111-S113 PolarHBondContact O-N 2.85Å; S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 3.48Å
114G96.7Very high97.4Very high1 Ų113.8 Ų13.81%0.017%0.073CC..SBendtrans738.2175.300000115.7T111 T117 H118T111-G114 PolarHBondContact O-N 3.07Å; G114-T117 PolarHBondContact O-N 2.89Å; G114-H118 PolarHBondContact O-N 3.04Å; G114-H118 PolarHBondContact O-ND1 2.91Å
115S97Very high97.3Very high4 Ų412.2 Ų12.23%0.0287%0.067CC..Hα-helixtrans-57.3-59.8179.6-175.70000111.4S76 I86 S113 T117 H118 F119S76-S115 PolarHBondContact OG-OG 3.01Å; S76-S115 VanDerWaalsContact OG-OG 3.11Å; I86-S115 PolarHBondContact O-OG 2.86Å; S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 3.48Å; S115-T117 VanDerWaalsContact C-N 3.32Å; S115-T117 PolarHBondContact O-N 3.43Å; S115-H118 PolarHBondContact O-N 3.26Å; S115-F119 WeakPolarHBondContact O-CD2 3.49Å
116L97.7Very high97.1Very high7 Ų712.5 Ų12.54%0.0378%0.077CC..Hα-helixtrans-61.4-41.3178.4175.464.4000111.5I86 A91 I94 E108 H118 F119 L120 V184I86-L116 HydrophobicContact CB-CB 4.37Å; I86-L116 HydrophobicContact CD1-CB 4.3Å; I86-L116 HydrophobicContact CD1-CD2 3.8Å; A91-L116 HydrophobicContact CB-CD1 4Å; I94-L116 HydrophobicContact CB-CD1 4.47Å; I94-L116 HydrophobicContact CD1-CD1 4.35Å; I94-L116 HydrophobicContact CG2-CD1 4.18Å; E108-L116 WeakPolarHBondContact OE1-CB 3.44Å; E108-L116 WeakPolarHBondContact OE1-CD2 3.43Å; E108-L116 WeakPolarHBondContact OE1-CG 3.45Å; L116-H118 PolarHBondContact O-N 3.38Å; L116-H118 VanDerWaalsContact O-N 3.13Å; L116-F119 WeakPolarHBondContact O-CA 2.97Å; L116-F119 WeakPolarHBondContact O-CB 3.35Å; L116-F119 PolarHBondContact O-N 3.25Å; L116-L120 HydrophobicContact CD1-CD2 4.25Å; L116-L120 HydrophobicContact CD1-CG 4.18Å; L116-L120 HydrophobicContact CD2-CD1 4.29Å; L116-L120 HydrophobicContact CG-CD1 4.02Å; L116-L120 HydrophobicContact CG-CD2 4.47Å; L116-L120 HydrophobicContact CG-CG 4Å; L116-L120 WeakPolarHBondContact O-CG 3.43Å; L116-L120 PolarHBondContact O-N 2.86Å; L116-V184 HydrophobicContact CD2-CB 4.24Å; L116-V184 HydrophobicContact CD2-CG1 3.57Å; L116-V184 HydrophobicContact CD2-CG2 4.39Å
117T98.3Very high96.8Very high0 Ų018.2 Ų18.20%010%0.103CC..Hα-helixtrans-54.6-34.8-179.4-36.10000112.9E108 G114 S115 L120 A121 V130 T132 F147 V156E108-T117 PolarHBondContact OE1-N 2.93Å; E108-T117 PolarHBondContact OE1-OG1 2.58Å; E108-T117 PolarHBondContact OE2-OG1 2.66Å; G114-T117 PolarHBondContact O-N 2.89Å; S115-T117 VanDerWaalsContact C-N 3.32Å; S115-T117 PolarHBondContact O-N 3.43Å; T117-L120 PolarHBondContact O-N 3.21Å; T117-A121 VanDerWaalsContact O-CB 3.31Å; T117-A121 WeakPolarHBondContact O-CB 3.32Å; T117-A121 PolarHBondContact O-N 2.95Å; T117-V130 HydrophobicContact CG2-CG1 3.99Å; T117-T132 HydrophobicContact CG2-CG2 4.18Å; T117-F147 HydrophobicContact CG2-CE1 3.88Å; T117-F147 HydrophobicContact CG2-CE2 4.12Å; T117-F147 HydrophobicContact CG2-CZ 3.48Å; T117-F147 VanDerWaalsContact CG2-CZ 3.48Å; T117-V156 HydrophobicContact CG2-CG1 3.56Å; T117-V156 HydrophobicContact CG2-CG2 4.13Å
118H97.6Very high96.7Very high0 Ų018.2 Ų18.20%010%0.103CC..Hα-helixtrans-66.9-39.3174.8-7774.6000112.7P72 W75 G114 S115 L116 A121 Q122 F147 H150 L152P72-H118 HydrophobicContact CB-CB 3.86Å; P72-H118 HydrophobicContact CG-CB 4.12Å; P72-H118 WeakPolarHBondContact CG-O 3.25Å; W75-H118 AromaticContact CD1-CD2 3.73Å; W75-H118 AromaticContact CD1-CE1 3.62Å; W75-H118 AromaticContact CD1-CG 3.6Å; W75-H118 AromaticContact CD1-ND1 3.52Å; W75-H118 AromaticContact CD1-NE2 3.76Å; W75-H118 AromaticContact NE1-CE1 3.24Å; W75-H118 PolarHBondContact NE1-CE1 2.88Å; W75-H118 AromaticContact NE1-ND1 3.46Å; W75-H118 PolarHBondContact NE1-ND1 3.4Å; W75-H118 AromaticContact NE1-NE2 3.69Å; G114-H118 PolarHBondContact O-N 3.04Å; G114-H118 PolarHBondContact O-ND1 2.91Å; S115-H118 PolarHBondContact O-N 3.26Å; L116-H118 PolarHBondContact O-N 3.38Å; L116-H118 VanDerWaalsContact O-N 3.13Å; H118-A121 PolarHBondContact O-N 2.89Å; H118-Q122 WeakPolarHBondContact O-CB 3.34Å; H118-Q122 PolarHBondContact O-N 3.45Å; H118-F147 AromaticContact CE1-CD1 3.76Å; H118-F147 AromaticContact CE1-CE1 3.5Å; H118-F147 VanDerWaalsContact CE1-CE1 3.5Å; H118-F147 WeakPolarHBondContact CE1-CE1 3.48Å; H118-F147 AromaticContact ND1-CE1 3.7Å; H118-H150 AromaticContact CD2-ND1 3.96Å; H118-H150 AromaticContact CE1-ND1 3.65Å; H118-H150 AromaticContact NE2-CE1 3.66Å; H118-H150 AromaticContact NE2-CG 3.93Å; H118-H150 AromaticContact NE2-ND1 2.85Å; H118-H150 PolarHBondContact NE2-ND1 3.33Å; H118-L152 VanDerWaalsContact CD2-CD1 3.48Å; H118-L152 WeakPolarHBondContact CD2-CD1 3.34Å
119F98Very high96.6Very high15 Ų1520.4 Ų20.47%0.06611%0.114CC..Hα-helixtrans-66.6-42.4174.4-75.4-95.6000111.4P72 A73 P88 A91 V95 S115 L116 Q122 A123P72-F119 HydrophobicContact CB-CB 4.43Å; P72-F119 HydrophobicContact CB-CD1 3.91Å; P72-F119 HydrophobicContact CB-CD2 3.5Å; P72-F119 VanDerWaalsContact CB-CD2 3.5Å; P72-F119 HydrophobicContact CB-CE1 3.98Å; P72-F119 HydrophobicContact CB-CE2 3.57Å; P72-F119 HydrophobicContact CB-CG 3.67Å; P72-F119 HydrophobicContact CB-CZ 3.8Å; A73-F119 HydrophobicContact CB-CZ 4.14Å; P88-F119 HydrophobicContact CB-CE1 4.4Å; P88-F119 HydrophobicContact CB-CZ 3.73Å; P88-F119 HydrophobicContact CG-CE2 4.46Å; P88-F119 HydrophobicContact CG-CZ 3.95Å; A91-F119 HydrophobicContact CB-CB 4.22Å; A91-F119 HydrophobicContact CB-CD1 4Å; A91-F119 HydrophobicContact CB-CD2 3.63Å; A91-F119 HydrophobicContact CB-CE1 4.25Å; A91-F119 HydrophobicContact CB-CE2 3.91Å; A91-F119 HydrophobicContact CB-CG 3.69Å; A91-F119 HydrophobicContact CB-CZ 4.21Å; V95-F119 HydrophobicContact CG2-CB 4.02Å; S115-F119 WeakPolarHBondContact O-CD2 3.49Å; L116-F119 WeakPolarHBondContact O-CA 2.97Å; L116-F119 WeakPolarHBondContact O-CB 3.35Å; L116-F119 PolarHBondContact O-N 3.25Å; F119-Q122 PolarHBondContact O-N 2.78Å; F119-A123 WeakPolarHBondContact O-CB 3.38Å; F119-A123 PolarHBondContact O-N 2.88Å
120L98.4Very high96.6Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-60.7-47175.2-61.1179000110.8V95 L100 V106 E108 L116 T117 Q122 A123 V124 V130 V184V95-L120 HydrophobicContact CG2-CD2 4.32Å; L100-L120 HydrophobicContact CD1-CD2 3.43Å; L100-L120 VanDerWaalsContact CD1-CD2 3.43Å; V106-L120 HydrophobicContact CG1-CD1 4.19Å; V106-L120 HydrophobicContact CG1-CD2 4.44Å; E108-L120 HydrophobicContact CB-CD1 4.1Å; E108-L120 HydrophobicContact CG-CD1 4.27Å; L116-L120 HydrophobicContact CD1-CD2 4.25Å; L116-L120 HydrophobicContact CD1-CG 4.18Å; L116-L120 HydrophobicContact CD2-CD1 4.29Å; L116-L120 HydrophobicContact CG-CD1 4.02Å; L116-L120 HydrophobicContact CG-CD2 4.47Å; L116-L120 HydrophobicContact CG-CG 4Å; L116-L120 WeakPolarHBondContact O-CG 3.43Å; L116-L120 PolarHBondContact O-N 2.86Å; T117-L120 PolarHBondContact O-N 3.21Å; L120-Q122 PolarHBondContact O-N 2.78Å; L120-A123 PolarHBondContact O-N 2.74Å; L120-V124 WeakPolarHBondContact O-CG1 3.13Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 3.21Å; L120-V124 VanDerWaalsContact O-N 3.14Å; L120-V130 HydrophobicContact CB-CG1 4.18Å; L120-V130 HydrophobicContact CB-CG2 3.76Å; L120-V130 HydrophobicContact CD1-CG1 4.09Å; L120-V184 HydrophobicContact CD1-CG2 4.35Å; L120-V184 HydrophobicContact CD2-CG2 4.29Å
121A97.6Very high96.7Very high0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-59-46.9178.100000111.4F6 T117 H118 A123 V124 L125 L152 V155 V156F6-A121 HydrophobicContact CE2-CB 4.22Å; F6-A121 HydrophobicContact CZ-CB 4.37Å; T117-A121 VanDerWaalsContact O-CB 3.31Å; T117-A121 WeakPolarHBondContact O-CB 3.32Å; T117-A121 PolarHBondContact O-N 2.95Å; H118-A121 PolarHBondContact O-N 2.89Å; A121-A123 VanDerWaalsContact C-N 3.29Å; A121-A123 PolarHBondContact O-N 3.21Å; A121-V124 PolarHBondContact O-N 2.92Å; A121-L125 WeakPolarHBondContact O-CB 3.32Å; A121-L125 WeakPolarHBondContact O-CD1 3.19Å; A121-L125 WeakPolarHBondContact O-CG 3.34Å; A121-L125 PolarHBondContact O-N 3.48Å; A121-L152 HydrophobicContact CB-CD2 4.34Å; A121-V155 HydrophobicContact CB-CG1 4.21Å; A121-V155 HydrophobicContact CB-CG2 4.47Å; A121-V156 HydrophobicContact CB-CG2 3.7Å
122Q96.6Very high96.8Very high86 Ų8620.6 Ų20.640%0.40211%0.108SC..Hα-helixtrans-58.6-40.5177-175.8179.855.800112.2F6 P72 H118 F119 L120F6-Q122 HydrophobicContact CB-CG 4.44Å; F6-Q122 HydrophobicContact CD2-CB 3.74Å; F6-Q122 HydrophobicContact CD2-CG 3.94Å; F6-Q122 VanDerWaalsContact CE2-CA 3.49Å; F6-Q122 HydrophobicContact CE2-CB 3.66Å; F6-Q122 HydrophobicContact CE2-CG 4.37Å; F6-Q122 HydrophobicContact CG-CB 4.27Å; F6-Q122 HydrophobicContact CG-CG 4.15Å; F6-Q122 HydrophobicContact CZ-CB 4.12Å; P72-Q122 HydrophobicContact CG-CB 3.93Å; P72-Q122 HydrophobicContact CG-CG 4.44Å; H118-Q122 WeakPolarHBondContact O-CB 3.34Å; H118-Q122 PolarHBondContact O-N 3.45Å; F119-Q122 PolarHBondContact O-N 2.78Å; L120-Q122 PolarHBondContact O-N 2.78Å
123A97.2Very high96.9Very high18 Ų1820.2 Ų20.215%0.14910%0.104CC..Hα-helixtrans-69.8-33.6-177.700000113.4V95 L100 V101 P102 F119 L120 A121V95-A123 HydrophobicContact CG1-CB 3.66Å; V95-A123 HydrophobicContact CG2-CB 4.48Å; L100-A123 HydrophobicContact CB-CB 3.86Å; L100-A123 HydrophobicContact CD1-CB 4.44Å; V101-A123 CarbonylContact C-O 3.59Å; P102-A123 WeakPolarHBondContact CD-O 3.05Å; P102-A123 VanDerWaalsContact N-O 3.15Å; F119-A123 WeakPolarHBondContact O-CB 3.38Å; F119-A123 PolarHBondContact O-N 2.88Å; L120-A123 PolarHBondContact O-N 2.74Å; A121-A123 VanDerWaalsContact C-N 3.29Å; A121-A123 PolarHBondContact O-N 3.21Å
124V97.1Very high97Very high0 Ų020.2 Ų20.20%010%0.103CC..Hα-helixtrans-99.4-15-172.2-53.10000114.4P102 G103 K104 V106 L120 A121 G128 V130 V155P102-V124 WeakPolarHBondContact CA-O 3.14Å; G103-V124 PolarHBondContact N-O 3.47Å; K104-V124 HydrophobicContact CB-CG1 4.01Å; K104-V124 WeakPolarHBondContact O-CB 2.91Å; V106-V124 HydrophobicContact CG2-CG1 3.91Å; L120-V124 WeakPolarHBondContact O-CG1 3.13Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 3.21Å; L120-V124 VanDerWaalsContact O-N 3.14Å; A121-V124 PolarHBondContact O-N 2.92Å; V124-G128 VanDerWaalsContact O-CA 3.27Å; V124-G128 WeakPolarHBondContact O-CA 3.33Å; V124-G128 PolarHBondContact O-N 3.33Å; V124-V130 HydrophobicContact CG2-CG2 3.78Å; V124-V155 HydrophobicContact CG2-CG2 3.87Å
125L94.5Very high97Very high26 Ų2625.8 Ų25.814%0.13613%0.128CC..THydrogen-bonded Turntrans-57150.4172.5-83.4166.5000111.6D4 F6 P102 A121 L152 V155D4-L125 WeakPolarHBondContact OD1-CD1 3.37Å; F6-L125 HydrophobicContact CD2-CD1 3.57Å; F6-L125 HydrophobicContact CE2-CD1 3.57Å; P102-L125 WeakPolarHBondContact CA-O 3.42Å; P102-L125 WeakPolarHBondContact CB-O 3.46Å; P102-L125 WeakPolarHBondContact CG-O 2.94Å; A121-L125 WeakPolarHBondContact O-CB 3.32Å; A121-L125 WeakPolarHBondContact O-CD1 3.19Å; A121-L125 WeakPolarHBondContact O-CG 3.34Å; A121-L125 PolarHBondContact O-N 3.48Å; L125-L152 HydrophobicContact CD1-CD2 4.44Å; L125-V155 HydrophobicContact CD1-CG1 4.45Å; L125-V155 HydrophobicContact CD2-CB 3.81Å; L125-V155 HydrophobicContact CD2-CG1 3.86Å; L125-V155 HydrophobicContact CD2-CG2 4.05Å; L125-V155 HydrophobicContact CG-CB 4.35Å; L125-V155 HydrophobicContact CG-CG1 4.21Å; L125-V155 HydrophobicContact CG-CG2 4.13Å
126P93.3Very high97Very high64 Ų6429.2 Ų29.242%0.41614%0.143SC..THydrogen-bonded Turncis-94.7-1.63.135.9-34.3000114.4M1M1-P126 HydrophobicContact CE-CB 4.33Å; M1-P126 HydrophobicContact SD-CB 4.22Å
127H93.2Very high96.9Very high119 Ų11932.2 Ų32.255%0.55117%0.165SC*.THydrogen-bonded Turntrans-115.4-9.7-168.9-58-55.9000114.5M1M1-H127 WeakPolarHBondContact CE-CE1 3.35Å; M1-H127 WeakPolarHBondContact CE-ND1 3.42Å
128G95.8Very high96.8Very high1 Ų138.1 Ų38.11%0.0119%0.192CC..  trans-89.9177.7179.400000112.2K104 V124K104-G128 WeakPolarHBondContact O-CA 3.15Å; V124-G128 VanDerWaalsContact O-CA 3.27Å; V124-G128 WeakPolarHBondContact O-CA 3.33Å; V124-G128 PolarHBondContact O-N 3.33Å
129H97.3Very high96.6Very high51 Ų5140.2 Ų40.224%0.23620%0.2CC..EExtended strand (participates in β ladder)trans-141.4142.4-178.5-71.1-79.3000111.2K104 W105 V106 Y131 D154 V155K104-H129 PolarHBondContact O-N 3.38Å; K104-H129 VanDerWaalsContact O-N 3.12Å; W105-H129 WeakPolarHBondContact CA-O 3.39Å; W105-H129 HydrophobicContact CD2-CB 4.09Å; W105-H129 AromaticContact CE2-CD2 3.45Å; W105-H129 VanDerWaalsContact CE2-CD2 3.45Å; W105-H129 HydrophobicContact CE3-CB 4.44Å; W105-H129 HydrophobicContact CG-CB 4.39Å; W105-H129 HydrophobicContact CZ2-CB 4.49Å; W105-H129 AromaticContact CZ2-CD2 3.37Å; W105-H129 WeakPolarHBondContact CZ2-CD2 3.3Å; W105-H129 AromaticContact NE1-CD2 3.57Å; V106-H129 PolarHBondContact N-O 2.81Å; H129-Y131 HydrophobicContact CB-CD2 4.19Å; H129-Y131 HydrophobicContact CB-CE2 3.71Å; H129-D154 PolarHBondContact CE1-O 3.18Å; H129-V155 WeakPolarHBondContact CA-O 3.42Å
130V98.4Very high96.6Very high0 Ų040.4 Ų40.40%020%0.203CC..EExtended strand (participates in β ladder)trans-114.4114.5170.9-174.70000108V106 T117 L120 V124 V155 V156 K157V106-V130 WeakPolarHBondContact O-CA 3.42Å; T117-V130 HydrophobicContact CG2-CG1 3.99Å; L120-V130 HydrophobicContact CB-CG1 4.18Å; L120-V130 HydrophobicContact CB-CG2 3.76Å; L120-V130 HydrophobicContact CD1-CG1 4.09Å; V124-V130 HydrophobicContact CG2-CG2 3.78Å; V130-V155 PolarHBondContact N-O 2.71Å; V130-V156 HydrophobicContact CB-CG2 4.28Å; V130-V156 CarbonylContact O-C 3.5Å; V130-V156 VanDerWaalsContact O-CA 3.3Å; V130-V156 WeakPolarHBondContact O-CA 3.45Å; V130-K157 PolarHBondContact O-N 3.5Å
131Y98.4Very high96.5Very high27 Ų2746.7 Ų46.711%0.10623%0.23CC..EExtended strand (participates in β ladder)trans-102.4116.7168.7-67.6-100.7000108.3W105 V106 F107 E108 H129 F133 K157 L175W105-Y131 HydrophobicContact CE3-CD2 4.42Å; W105-Y131 AromaticContact CE3-CE2 3.86Å; W105-Y131 HydrophobicContact CE3-CE2 3.86Å; W105-Y131 HydrophobicContact CH2-CE2 4.29Å; W105-Y131 AromaticContact CZ3-CE2 3.61Å; W105-Y131 HydrophobicContact CZ3-CE2 3.61Å; V106-Y131 PolarHBondContact O-N 3.24Å; F107-Y131 CarbonylContact C-O 3.11Å; F107-Y131 VanDerWaalsContact CA-O 3.32Å; F107-Y131 WeakPolarHBondContact CA-O 3.46Å; F107-Y131 HydrophobicContact CD1-CD2 4.36Å; F107-Y131 HydrophobicContact CD1-CG 4.31Å; F107-Y131 AromaticContact CE1-CD2 3.84Å; F107-Y131 HydrophobicContact CE1-CD2 3.84Å; F107-Y131 AromaticContact CE1-CG 3.82Å; F107-Y131 HydrophobicContact CE1-CG 3.82Å; E108-Y131 PolarHBondContact N-O 2.87Å; H129-Y131 HydrophobicContact CB-CD2 4.19Å; H129-Y131 HydrophobicContact CB-CE2 3.71Å; Y131-F133 WeakPolarHBondContact O-CE2 3.48Å; Y131-K157 WeakPolarHBondContact CA-O 3.37Å; Y131-K157 HydrophobicContact CD1-CB 3.64Å; Y131-K157 HydrophobicContact CD1-CG 4.29Å; Y131-K157 HydrophobicContact CE1-CB 3.71Å; Y131-K157 HydrophobicContact CE1-CG 3.85Å; Y131-K157 HydrophobicContact CG-CB 4.41Å; Y131-L175 HydrophobicContact CD1-CD2 3.95Å; Y131-L175 HydrophobicContact CE1-CD2 3.65Å
132T98.6Very high96.4Very high0 Ų049.9 Ų49.90%025%0.246CC..EExtended strand (participates in β ladder)trans-112.5143-177.7-173.40000110.1E108 T111 T117 F147 V156 K157 V158 N159E108-T132 CarbonylContact O-C 3.57Å; E108-T132 WeakPolarHBondContact O-CA 3.49Å; E108-T132 WeakPolarHBondContact OE2-CB 3.42Å; E108-T132 PolarHBondContact OE2-OG1 3.43Å; T111-T132 WeakPolarHBondContact CA-OG1 3.36Å; T111-T132 WeakPolarHBondContact CB-OG1 3.43Å; T111-T132 HydrophobicContact CG2-CG2 3.71Å; T111-T132 WeakPolarHBondContact OG1-CG2 3.27Å; T111-T132 PolarHBondContact OG1-OG1 3.49Å; T117-T132 HydrophobicContact CG2-CG2 4.18Å; T132-F147 HydrophobicContact CG2-CE2 4.31Å; T132-V156 HydrophobicContact CG2-CG1 4.1Å; T132-K157 PolarHBondContact N-O 3.27Å; T132-V158 HydrophobicContact CG2-CB 4.11Å; T132-V158 HydrophobicContact CG2-CG1 4.05Å; T132-V158 HydrophobicContact CG2-CG2 3.79Å; T132-V158 CarbonylContact O-C 3.56Å; T132-V158 WeakPolarHBondContact O-CA 3.27Å; T132-N159 PolarHBondContact O-N 3.44Å
133F98.4Very high96.5Very high2 Ų245.8 Ų45.81%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-124.8131.7-172.6-57.8-94.4000110.3F107 E108 A109 G110 T111 Y131 N159 R161 V163 F168 P169 L175F107-F133 HydrophobicContact CB-CE2 4.31Å; F107-F133 HydrophobicContact CD1-CE2 4.04Å; F107-F133 HydrophobicContact CD2-CE2 4.14Å; F107-F133 HydrophobicContact CE1-CE2 4.35Å; F107-F133 HydrophobicContact CE1-CZ 4.41Å; F107-F133 HydrophobicContact CE2-CE2 4.46Å; F107-F133 HydrophobicContact CE2-CZ 4.41Å; F107-F133 AromaticContact CG-CE2 3.91Å; F107-F133 HydrophobicContact CG-CE2 3.91Å; F107-F133 HydrophobicContact CZ-CZ 4.32Å; E108-F133 WeakPolarHBondContact O-CD2 3.36Å; E108-F133 PolarHBondContact O-N 2.95Å; A109-F133 HydrophobicContact CB-CB 4.34Å; G110-F133 WeakPolarHBondContact CA-O 3.39Å; T111-F133 PolarHBondContact N-O 3.35Å; Y131-F133 WeakPolarHBondContact O-CE2 3.48Å; F133-N159 WeakPolarHBondContact CA-O 3.14Å; F133-N159 HydrophobicContact CD1-CB 3.63Å; F133-N159 HydrophobicContact CE1-CB 3.74Å; F133-R161 HydrophobicContact CB-CB 4.48Å; F133-R161 HydrophobicContact CD1-CB 3.89Å; F133-V163 HydrophobicContact CB-CG2 3.66Å; F133-V163 HydrophobicContact CG-CG2 4.11Å; F133-F168 AromaticContact CD2-CD1 3.71Å; F133-F168 HydrophobicContact CD2-CD1 3.71Å; F133-F168 AromaticContact CD2-CE1 3.46Å; F133-F168 HydrophobicContact CD2-CE1 3.46Å; F133-F168 VanDerWaalsContact CD2-CE1 3.46Å; F133-F168 AromaticContact CE2-CD1 3.61Å; F133-F168 HydrophobicContact CE2-CD1 3.61Å; F133-F168 AromaticContact CE2-CE1 3.75Å; F133-F168 HydrophobicContact CE2-CE1 3.75Å; F133-F168 HydrophobicContact CG-CD1 4.37Å; F133-F168 HydrophobicContact CG-CE1 4.22Å; F133-F168 HydrophobicContact CZ-CD1 4.21Å; F133-P169 HydrophobicContact CE1-CG 3.96Å; F133-P169 HydrophobicContact CZ-CG 3.67Å; F133-L175 HydrophobicContact CE1-CD1 4.36Å
134D97.7Very high96.4Very high3 Ų347 Ų472%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-135.8140.2172.8-158-55.5000109.5G112 H136 R139 V140 N159 M160 R161G112-D134 PolarHBondContact N-OD2 3.47Å; G112-D134 VanDerWaalsContact N-OD2 3.1Å; D134-H136 VanDerWaalsContact C-N 3.29Å; D134-H136 WeakPolarHBondContact OD1-CB 3.48Å; D134-H136 PolarHBondContact OD1-N 2.88Å; D134-R139 IonicContact OD1-CZ 3.35Å; D134-R139 IonicContact OD1-NE 3.85Å; D134-R139 IonicContact OD1-NH1 2.71Å; D134-R139 PolarHBondContact OD1-NH1 3.38Å; D134-R139 IonicContact OD1-NH2 3.23Å; D134-R139 PolarHBondContact OD1-NH2 3.03Å; D134-R139 IonicContact OD2-CZ 3.75Å; D134-R139 IonicContact OD2-NE 3.25Å; D134-R139 IonicContact OD2-NH1 3.13Å; D134-R139 PolarHBondContact OD2-NH1 3.48Å; D134-V140 HydrophobicContact CB-CG2 3.78Å; D134-V140 WeakPolarHBondContact O-CG2 3.42Å; D134-N159 PolarHBondContact N-O 3.26Å; D134-N159 VanDerWaalsContact N-O 3.14Å; D134-M160 WeakPolarHBondContact O-CA 3.43Å; D134-R161 CarbonylContact C-O 3.37Å; D134-R161 PolarHBondContact O-N 2.82Å
135F96.1Very high96.4Very high119 Ų11951.8 Ų51.852%0.52226%0.257SS..SBendtrans-78.2-18.5179.672.9-89.6000112R139 R161 D162F135-R139 VanDerWaalsContact CZ-NH2 3.34Å; F135-R161 PolarHBondContact N-O 3.26Å; F135-D162 HydrophobicContact CB-CB 3.99Å
136H96.1Very high96.5Very high75 Ų7551.6 Ų51.635%0.34726%0.256SS..  trans-95.7109.9-174-168.1-62.1000111.7D134 E138 R139 V140D134-H136 VanDerWaalsContact C-N 3.29Å; D134-H136 WeakPolarHBondContact OD1-CB 3.48Å; D134-H136 PolarHBondContact OD1-N 2.88Å; H136-E138 VanDerWaalsContact C-N 3.34Å; H136-E138 VanDerWaalsContact CE1-CB 3.5Å; H136-E138 WeakPolarHBondContact CE1-CB 3.32Å; H136-E138 IonicContact CE1-OE2 2.89Å; H136-E138 PolarHBondContact ND1-N 2.97Å; H136-E138 PolarHBondContact O-N 3.1Å; H136-R139 HydrophobicContact CB-CB 4.28Å; H136-R139 HydrophobicContact CB-CG 4.4Å; H136-R139 PolarHBondContact O-N 3.29Å; H136-V140 PolarHBondContact O-N 2.08Å; H136-V140 VanDerWaalsContact O-N 3.08Å
137S95.8Very high96.6Very high70 Ų7048.6 Ų48.649%0.4924%0.236SC..Hα-helixtrans-52.2-43.6-17557.50000114.7R139 V140 K141S137-R139 PolarHBondContact O-N 2.98Å; S137-V140 WeakPolarHBondContact O-CB 3.48Å; S137-V140 PolarHBondContact O-N 2.8Å; S137-K141 PolarHBondContact O-N 3.36Å
138E95.9Very high96.7Very high124 Ų12447.3 Ų47.358%0.57923%0.233SC*.Hα-helixtrans-64.2-40.2179.1-168.2-179.1-179.100112.4H136 K141 L142H136-E138 VanDerWaalsContact C-N 3.34Å; H136-E138 VanDerWaalsContact CE1-CB 3.5Å; H136-E138 WeakPolarHBondContact CE1-CB 3.32Å; H136-E138 IonicContact CE1-OE2 2.89Å; H136-E138 PolarHBondContact ND1-N 2.97Å; H136-E138 PolarHBondContact O-N 3.1Å; E138-K141 PolarHBondContact O-N 3.45Å; E138-L142 HydrophobicContact CG-CD1 4.17Å; E138-L142 WeakPolarHBondContact O-CG 3.32Å; E138-L142 PolarHBondContact O-N 2.98Å
139R95.2Very high96.6Very high44 Ų4449.4 Ų49.417%0.16625%0.248CC..Hα-helixtrans-67-40.4177.5-75.6-170.2-80.1147.1-6.5110.8D134 F135 H136 S137 K141 L142 A143D134-R139 IonicContact OD1-CZ 3.35Å; D134-R139 IonicContact OD1-NE 3.85Å; D134-R139 IonicContact OD1-NH1 2.71Å; D134-R139 PolarHBondContact OD1-NH1 3.38Å; D134-R139 IonicContact OD1-NH2 3.23Å; D134-R139 PolarHBondContact OD1-NH2 3.03Å; D134-R139 IonicContact OD2-CZ 3.75Å; D134-R139 IonicContact OD2-NE 3.25Å; D134-R139 IonicContact OD2-NH1 3.13Å; D134-R139 PolarHBondContact OD2-NH1 3.48Å; F135-R139 VanDerWaalsContact CZ-NH2 3.34Å; H136-R139 HydrophobicContact CB-CB 4.28Å; H136-R139 HydrophobicContact CB-CG 4.4Å; H136-R139 PolarHBondContact O-N 3.29Å; S137-R139 PolarHBondContact O-N 2.98Å; R139-K141 PolarHBondContact O-N 2.99Å; R139-L142 PolarHBondContact O-N 3.4Å; R139-A143 WeakPolarHBondContact O-CB 3.5Å; R139-A143 PolarHBondContact O-N 2.69Å
140V96.8Very high96.5Very high20 Ų2047.4 Ų47.412%0.12124%0.238CC..Hα-helixtrans-57.1-49.7174.2171.80000110.8D134 H136 S137 A143 S144 V158 M160D134-V140 HydrophobicContact CB-CG2 3.78Å; D134-V140 WeakPolarHBondContact O-CG2 3.42Å; H136-V140 PolarHBondContact O-N 2.08Å; H136-V140 VanDerWaalsContact O-N 3.08Å; S137-V140 WeakPolarHBondContact O-CB 3.48Å; S137-V140 PolarHBondContact O-N 2.8Å; V140-A143 PolarHBondContact O-N 2.89Å; V140-S144 WeakPolarHBondContact O-CB 3.41Å; V140-S144 PolarHBondContact O-N 3.32Å; V140-V158 HydrophobicContact CB-CG1 4.23Å; V140-V158 HydrophobicContact CG1-CB 4.44Å; V140-V158 HydrophobicContact CG1-CG1 3.86Å; V140-V158 HydrophobicContact CG2-CG1 4.31Å; V140-M160 HydrophobicContact CG1-CB 4.3Å; V140-M160 HydrophobicContact CG2-CB 4.03Å; V140-M160 HydrophobicContact CG2-CG 4.39Å
141K97Very high96.3Very high132 Ų13249.3 Ų49.357%0.57425%0.252SS*.Hα-helixtrans-60.3-51.9179.8-176.1-176171.7-174.10111.6S137 E138 R139 A143 S144 E145S137-K141 PolarHBondContact O-N 3.36Å; E138-K141 PolarHBondContact O-N 3.45Å; R139-K141 PolarHBondContact O-N 2.99Å; K141-A143 PolarHBondContact O-N 3.26Å; K141-S144 PolarHBondContact O-N 2.97Å; K141-E145 WeakPolarHBondContact CE-OE1 3.19Å; K141-E145 IonicContact NZ-OE1 3.74Å; K141-E145 WeakPolarHBondContact O-CG 3.31Å; K141-E145 PolarHBondContact O-N 2.87Å
142L96.3Very high96.1Very high66 Ų6648.1 Ų48.135%0.34625%0.247SC..Hα-helixtrans-62.1-43.4-179.2-69.8173.1000111.9E138 R139 E145 E146E138-L142 HydrophobicContact CG-CD1 4.17Å; E138-L142 WeakPolarHBondContact O-CG 3.32Å; E138-L142 PolarHBondContact O-N 2.98Å; R139-L142 PolarHBondContact O-N 3.4Å; L142-E145 PolarHBondContact O-N 3.48Å; L142-E146 VanDerWaalsContact O-CB 3.27Å; L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 3.13Å
143A96.8Very high95.9Very high0 Ų048.5 Ų48.50%025%0.251CS..Hα-helixtrans-65-41.8177.900000111.7T111 R139 V140 K141 E146 F147 V158T111-A143 HydrophobicContact CG2-CB 3.84Å; R139-A143 WeakPolarHBondContact O-CB 3.5Å; R139-A143 PolarHBondContact O-N 2.69Å; V140-A143 PolarHBondContact O-N 2.89Å; K141-A143 PolarHBondContact O-N 3.26Å; A143-E146 PolarHBondContact O-N 3.26Å; A143-F147 HydrophobicContact CB-CD2 4.39Å; A143-F147 HydrophobicContact CB-CE2 3.87Å; A143-F147 WeakPolarHBondContact O-CD2 3.36Å; A143-F147 VanDerWaalsContact O-CG 3.29Å; A143-F147 WeakPolarHBondContact O-CG 3.31Å; A143-F147 PolarHBondContact O-N 3.46Å; A143-V158 HydrophobicContact CB-CG1 4.41Å; A143-V158 HydrophobicContact CB-CG2 4.32Å
144S96.8Very high95.6Very high44 Ų4454 Ų5431%0.30828%0.281SS..Hα-helixtrans-60.5-48.7176.2-168.70000111.7V140 K141 E146 F147 D148V140-S144 WeakPolarHBondContact O-CB 3.41Å; V140-S144 PolarHBondContact O-N 3.32Å; K141-S144 PolarHBondContact O-N 2.97Å; S144-E146 VanDerWaalsContact C-N 3.28Å; S144-E146 PolarHBondContact O-N 3.24Å; S144-F147 PolarHBondContact O-N 2.89Å; S144-D148 WeakPolarHBondContact O-CB 3.32Å; S144-D148 PolarHBondContact O-N 2.83Å
145E96.2Very high95.5Very high101 Ų10154.1 Ų54.147%0.47228%0.282SS..Hα-helixtrans-60.3-38.9177.3-71.1173.9-175.900111.8K141 L142 S149K141-E145 WeakPolarHBondContact CE-OE1 3.19Å; K141-E145 IonicContact NZ-OE1 3.74Å; K141-E145 WeakPolarHBondContact O-CG 3.31Å; K141-E145 PolarHBondContact O-N 2.87Å; L142-E145 PolarHBondContact O-N 3.48Å; E145-S149 VanDerWaalsContact O-CB 3.31Å; E145-S149 WeakPolarHBondContact O-CB 3.27Å; E145-S149 PolarHBondContact O-N 3.12Å; E145-S149 PolarHBondContact O-OG 3.11Å
146E95.9Very high95.6Very high21 Ų2148.7 Ų48.710%0.09826%0.258CS..Hα-helixtrans-66.1-50.5177.9-169.4173.487.600111.5W75 R82 L142 A143 S144 D148 S149 H150W75-E146 HydrophobicContact CH2-CG 4.39Å; W75-E146 VanDerWaalsContact CZ2-CD 3.48Å; W75-E146 HydrophobicContact CZ2-CG 4.03Å; R82-E146 IonicContact CZ-OE1 3.99Å; R82-E146 IonicContact CZ-OE2 3.8Å; R82-E146 IonicContact NH1-OE1 2.78Å; R82-E146 IonicContact NH1-OE2 3.2Å; R82-E146 PolarHBondContact NH1-OE2 2.77Å; R82-E146 IonicContact NH2-OE1 3.84Å; R82-E146 PolarHBondContact NH2-OE1 3.05Å; R82-E146 IonicContact NH2-OE2 2.91Å; L142-E146 VanDerWaalsContact O-CB 3.27Å; L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 3.13Å; A143-E146 PolarHBondContact O-N 3.26Å; S144-E146 VanDerWaalsContact C-N 3.28Å; S144-E146 PolarHBondContact O-N 3.24Å; E146-D148 VanDerWaalsContact C-N 3.33Å; E146-D148 PolarHBondContact O-N 3.3Å; E146-S149 PolarHBondContact O-N 2.69Å; E146-S149 VanDerWaalsContact O-N 3.14Å; E146-S149 PolarHBondContact O-OG 2.95Å; E146-H150 WeakPolarHBondContact O-CB 3.48Å; E146-H150 PolarHBondContact O-CD2 3.14Å; E146-H150 VanDerWaalsContact O-CG 3.22Å; E146-H150 PolarHBondContact O-N 3.03Å
147F96.3Very high95.7Very high2 Ų249.4 Ų49.41%0.00926%0.26CS..Hα-helixtrans-61.4-40.1177.3-63.5-48.4000112.4T111 T117 H118 T132 A143 S144 H150 S151 L152 G153 V156 V158T111-F147 HydrophobicContact CG2-CE2 4.12Å; T111-F147 HydrophobicContact CG2-CZ 4.31Å; T117-F147 HydrophobicContact CG2-CE1 3.88Å; T117-F147 HydrophobicContact CG2-CE2 4.12Å; T117-F147 HydrophobicContact CG2-CZ 3.48Å; T117-F147 VanDerWaalsContact CG2-CZ 3.48Å; H118-F147 AromaticContact CE1-CD1 3.76Å; H118-F147 AromaticContact CE1-CE1 3.5Å; H118-F147 VanDerWaalsContact CE1-CE1 3.5Å; H118-F147 WeakPolarHBondContact CE1-CE1 3.48Å; H118-F147 AromaticContact ND1-CE1 3.7Å; T132-F147 HydrophobicContact CG2-CE2 4.31Å; A143-F147 HydrophobicContact CB-CD2 4.39Å; A143-F147 HydrophobicContact CB-CE2 3.87Å; A143-F147 WeakPolarHBondContact O-CD2 3.36Å; A143-F147 VanDerWaalsContact O-CG 3.29Å; A143-F147 WeakPolarHBondContact O-CG 3.31Å; A143-F147 PolarHBondContact O-N 3.46Å; S144-F147 PolarHBondContact O-N 2.89Å; F147-H150 PolarHBondContact O-N 3.38Å; F147-S151 PolarHBondContact O-N 3.27Å; F147-L152 HydrophobicContact CB-CB 4.23Å; F147-L152 HydrophobicContact CD1-CD1 4.31Å; F147-L152 WeakPolarHBondContact O-CA 2.95Å; F147-L152 WeakPolarHBondContact O-CB 3.29Å; F147-L152 PolarHBondContact O-N 3.19Å; F147-G153 PolarHBondContact O-N 3.13Å; F147-V156 HydrophobicContact CB-CB 4.5Å; F147-V156 HydrophobicContact CD1-CG1 4.38Å; F147-V156 HydrophobicContact CD2-CB 4.33Å; F147-V156 HydrophobicContact CD2-CG1 3.64Å; F147-V156 HydrophobicContact CE1-CG1 4.46Å; F147-V156 HydrophobicContact CE2-CG1 3.74Å; F147-V156 HydrophobicContact CG-CB 4.24Å; F147-V156 HydrophobicContact CG-CG1 4Å; F147-V156 HydrophobicContact CZ-CG1 4.17Å; F147-V158 HydrophobicContact CD2-CG2 3.36Å; F147-V158 HydrophobicContact CE2-CG2 3.42Å; F147-V158 VanDerWaalsContact CE2-CG2 3.42Å
148D94.9Very high95.8Very high92 Ų9247 Ų4749%0.49224%0.243SC..Hα-helixtrans-62.3-45174.1-72.9-25.3000111S144 E146 H150 S151 G153S144-D148 WeakPolarHBondContact O-CB 3.32Å; S144-D148 PolarHBondContact O-N 2.83Å; E146-D148 VanDerWaalsContact C-N 3.33Å; E146-D148 PolarHBondContact O-N 3.3Å; D148-H150 PolarHBondContact O-N 3.44Å; D148-S151 PolarHBondContact O-N 2.87Å; D148-G153 VanDerWaalsContact OD1-CA 3.27Å; D148-G153 WeakPolarHBondContact OD1-CA 3.42Å
149S94.3Very high95.8Very high45 Ų4543.1 Ų43.132%0.31523%0.226SC..Hα-helixtrans-64.3-23.6177.681.70000113.5E145 E146 S151E145-S149 VanDerWaalsContact O-CB 3.31Å; E145-S149 WeakPolarHBondContact O-CB 3.27Å; E145-S149 PolarHBondContact O-N 3.12Å; E145-S149 PolarHBondContact O-OG 3.11Å; E146-S149 PolarHBondContact O-N 2.69Å; E146-S149 VanDerWaalsContact O-N 3.14Å; E146-S149 PolarHBondContact O-OG 2.95Å; S149-S151 VanDerWaalsContact C-N 3.32Å
150H95.1Very high95.9Very high8 Ų846.7 Ų46.74%0.03725%0.246CC..THydrogen-bonded Turntrans-90.46.2176.9-66.2-177.4000112.9A5 C16 L70 W75 H118 E146 F147 D148 L152A5-H150 WeakPolarHBondContact CB-O 3.24Å; C16-H150 PolarHBondContact SG-CD2 2.91Å; C16-H150 PolarHBondContact SG-NE2 3.5Å; C16-H150 VanDerWaalsContact SG-NE2 3.37Å; L70-H150 HydrophobicContact CD2-CB 3.86Å; W75-H150 AromaticContact CD2-CE1 3.93Å; W75-H150 AromaticContact CE2-CE1 3.71Å; W75-H150 AromaticContact CE3-CE1 3.99Å; W75-H150 AromaticContact CH2-CE1 3.65Å; W75-H150 AromaticContact CZ2-CE1 3.59Å; W75-H150 AromaticContact CZ3-CE1 3.86Å; H118-H150 AromaticContact CD2-ND1 3.96Å; H118-H150 AromaticContact CE1-ND1 3.65Å; H118-H150 AromaticContact NE2-CE1 3.66Å; H118-H150 AromaticContact NE2-CG 3.93Å; H118-H150 AromaticContact NE2-ND1 2.85Å; H118-H150 PolarHBondContact NE2-ND1 3.33Å; E146-H150 WeakPolarHBondContact O-CB 3.48Å; E146-H150 PolarHBondContact O-CD2 3.14Å; E146-H150 VanDerWaalsContact O-CG 3.22Å; E146-H150 PolarHBondContact O-N 3.03Å; F147-H150 PolarHBondContact O-N 3.38Å; D148-H150 PolarHBondContact O-N 3.44Å; H150-L152 HydrophobicContact CB-CD1 4.09Å; H150-L152 HydrophobicContact CB-CG 4.07Å; H150-L152 PolarHBondContact O-N 3.45Å
151S93.3Very high96Very high41 Ų4149.2 Ų49.229%0.28725%0.253SS..THydrogen-bonded Turntrans60.127.8-173.4-53.10000113.7F147 D148 S149F147-S151 PolarHBondContact O-N 3.27Å; D148-S151 PolarHBondContact O-N 2.87Å; S149-S151 VanDerWaalsContact C-N 3.32Å
152L95.3Very high96Very high1 Ų145.5 Ų45.51%0.00524%0.24CC..  trans-102.5-4.9178.1-63.3177.8000113.2A5 F6 H118 A121 L125 F147 H150 D154 V155 V156A5-L152 HydrophobicContact CB-CD2 3.82Å; A5-L152 HydrophobicContact CB-CG 4.47Å; F6-L152 HydrophobicContact CE2-CD2 3.6Å; F6-L152 HydrophobicContact CZ-CD1 3.88Å; F6-L152 HydrophobicContact CZ-CD2 3.62Å; F6-L152 HydrophobicContact CZ-CG 4.37Å; H118-L152 VanDerWaalsContact CD2-CD1 3.48Å; H118-L152 WeakPolarHBondContact CD2-CD1 3.34Å; A121-L152 HydrophobicContact CB-CD2 4.34Å; L125-L152 HydrophobicContact CD1-CD2 4.44Å; F147-L152 HydrophobicContact CB-CB 4.23Å; F147-L152 HydrophobicContact CD1-CD1 4.31Å; F147-L152 WeakPolarHBondContact O-CA 2.95Å; F147-L152 WeakPolarHBondContact O-CB 3.29Å; F147-L152 PolarHBondContact O-N 3.19Å; H150-L152 HydrophobicContact CB-CD1 4.09Å; H150-L152 HydrophobicContact CB-CG 4.07Å; H150-L152 PolarHBondContact O-N 3.45Å; L152-D154 PolarHBondContact O-N 3.35Å; L152-V155 HydrophobicContact CB-CG1 4.18Å; L152-V155 HydrophobicContact CD2-CG1 4.01Å; L152-V155 WeakPolarHBondContact O-CG1 3.5Å; L152-V155 PolarHBondContact O-N 3.21Å; L152-V156 HydrophobicContact CB-CG2 4.27Å; L152-V156 PolarHBondContact O-N 2.94Å
153G94.1Very high96Very high8 Ų842.6 Ų42.68%0.08223%0.225CC..THydrogen-bonded Turntrans-57.1-23.9-177.900000115.1F147 D148 K157F147-G153 PolarHBondContact O-N 3.13Å; D148-G153 VanDerWaalsContact OD1-CA 3.27Å; D148-G153 WeakPolarHBondContact OD1-CA 3.42Å; G153-K157 VanDerWaalsContact O-CE 3.24Å; G153-K157 WeakPolarHBondContact O-CE 3.31Å; G153-K157 PolarHBondContact O-NZ 3.46Å
154D92.7Very high95.9Very high118 Ų11844.2 Ų44.263%0.63124%0.236SC*.THydrogen-bonded Turntrans-75.4-31.5175.9-71.8-21.8000112.8H129 L152H129-D154 PolarHBondContact CE1-O 3.18Å; L152-D154 PolarHBondContact O-N 3.35Å
155V95.4Very high95.9Very high6 Ų645.7 Ų45.74%0.03625%0.246CC..THydrogen-bonded Turntrans-98.9-36.7-176.954.90000112.2A121 V124 L125 H129 V130 L152A121-V155 HydrophobicContact CB-CG1 4.21Å; A121-V155 HydrophobicContact CB-CG2 4.47Å; V124-V155 HydrophobicContact CG2-CG2 3.87Å; L125-V155 HydrophobicContact CD1-CG1 4.45Å; L125-V155 HydrophobicContact CD2-CB 3.81Å; L125-V155 HydrophobicContact CD2-CG1 3.86Å; L125-V155 HydrophobicContact CD2-CG2 4.05Å; L125-V155 HydrophobicContact CG-CB 4.35Å; L125-V155 HydrophobicContact CG-CG1 4.21Å; L125-V155 HydrophobicContact CG-CG2 4.13Å; H129-V155 WeakPolarHBondContact CA-O 3.42Å; V130-V155 PolarHBondContact N-O 2.71Å; L152-V155 HydrophobicContact CB-CG1 4.18Å; L152-V155 HydrophobicContact CD2-CG1 4.01Å; L152-V155 WeakPolarHBondContact O-CG1 3.5Å; L152-V155 PolarHBondContact O-N 3.21Å
156V97.6Very high95.9Very high5 Ų545.9 Ų45.93%0.0325%0.25CS..EExtended strand (participates in β ladder)trans-103.8127.1-179-174.50000110.6T117 A121 V130 T132 F147 L152T117-V156 HydrophobicContact CG2-CG1 3.56Å; T117-V156 HydrophobicContact CG2-CG2 4.13Å; A121-V156 HydrophobicContact CB-CG2 3.7Å; V130-V156 HydrophobicContact CB-CG2 4.28Å; V130-V156 CarbonylContact O-C 3.5Å; V130-V156 VanDerWaalsContact O-CA 3.3Å; V130-V156 WeakPolarHBondContact O-CA 3.45Å; T132-V156 HydrophobicContact CG2-CG1 4.1Å; F147-V156 HydrophobicContact CB-CB 4.5Å; F147-V156 HydrophobicContact CD1-CG1 4.38Å; F147-V156 HydrophobicContact CD2-CB 4.33Å; F147-V156 HydrophobicContact CD2-CG1 3.64Å; F147-V156 HydrophobicContact CE1-CG1 4.46Å; F147-V156 HydrophobicContact CE2-CG1 3.74Å; F147-V156 HydrophobicContact CG-CB 4.24Å; F147-V156 HydrophobicContact CG-CG1 4Å; F147-V156 HydrophobicContact CZ-CG1 4.17Å; L152-V156 HydrophobicContact CB-CG2 4.27Å; L152-V156 PolarHBondContact O-N 2.94Å
157K97.3Very high95.9Very high89 Ų8948.9 Ų48.939%0.38726%0.261SS..EExtended strand (participates in β ladder)trans-120.3121.5170.9-61.8-59.5-177.1-168.90110.4V130 Y131 T132 G153 N159V130-K157 PolarHBondContact O-N 3.5Å; Y131-K157 WeakPolarHBondContact CA-O 3.37Å; Y131-K157 HydrophobicContact CD1-CB 3.64Å; Y131-K157 HydrophobicContact CD1-CG 4.29Å; Y131-K157 HydrophobicContact CE1-CB 3.71Å; Y131-K157 HydrophobicContact CE1-CG 3.85Å; Y131-K157 HydrophobicContact CG-CB 4.41Å; T132-K157 PolarHBondContact N-O 3.27Å; G153-K157 VanDerWaalsContact O-CE 3.24Å; G153-K157 WeakPolarHBondContact O-CE 3.31Å; G153-K157 PolarHBondContact O-NZ 3.46Å; K157-N159 PolarHBondContact O-ND2 2.88Å
158V97.8Very high96Very high21 Ų2149.4 Ų49.413%0.12726%0.264CS..EExtended strand (participates in β ladder)trans-95.5130.1178.3-164.80000109.4T111 T132 V140 A143 F147T111-V158 HydrophobicContact CG2-CG1 4.26Å; T132-V158 HydrophobicContact CG2-CB 4.11Å; T132-V158 HydrophobicContact CG2-CG1 4.05Å; T132-V158 HydrophobicContact CG2-CG2 3.79Å; T132-V158 CarbonylContact O-C 3.56Å; T132-V158 WeakPolarHBondContact O-CA 3.27Å; V140-V158 HydrophobicContact CB-CG1 4.23Å; V140-V158 HydrophobicContact CG1-CB 4.44Å; V140-V158 HydrophobicContact CG1-CG1 3.86Å; V140-V158 HydrophobicContact CG2-CG1 4.31Å; A143-V158 HydrophobicContact CB-CG1 4.41Å; A143-V158 HydrophobicContact CB-CG2 4.32Å; F147-V158 HydrophobicContact CD2-CG2 3.36Å; F147-V158 HydrophobicContact CE2-CG2 3.42Å; F147-V158 VanDerWaalsContact CE2-CG2 3.42Å
159N97.4Very high96.1Very high41 Ų4145.2 Ų45.222%0.21924%0.242CC..EExtended strand (participates in β ladder)trans-124.9134.5-178.9-69.8-88.8000110.6T132 F133 D134 K157 R161T132-N159 PolarHBondContact O-N 3.44Å; F133-N159 WeakPolarHBondContact CA-O 3.14Å; F133-N159 HydrophobicContact CD1-CB 3.63Å; F133-N159 HydrophobicContact CE1-CB 3.74Å; D134-N159 PolarHBondContact N-O 3.26Å; D134-N159 VanDerWaalsContact N-O 3.14Å; K157-N159 PolarHBondContact O-ND2 2.88Å; N159-R161 PolarHBondContact O-N 2.78Å
160M97.4Very high96.2Very high119 Ų11946.7 Ų46.759%0.58625%0.25SS*.EExtended strand (participates in β ladder)trans-76.2112.8171.1-173.5178.8174.200109.4D134 V140D134-M160 WeakPolarHBondContact O-CA 3.43Å; V140-M160 HydrophobicContact CG1-CB 4.3Å; V140-M160 HydrophobicContact CG2-CB 4.03Å; V140-M160 HydrophobicContact CG2-CG 4.39Å
161R97.3Very high96.3Very high73 Ų7349 Ų4928%0.27526%0.262SS..  trans-160.6136.8177.4-176.2165.6-74.7157.4-12.2110.9F133 D134 F135 N159 V163 D166 Y167F133-R161 HydrophobicContact CB-CB 4.48Å; F133-R161 HydrophobicContact CD1-CB 3.89Å; D134-R161 CarbonylContact C-O 3.37Å; D134-R161 PolarHBondContact O-N 2.82Å; F135-R161 PolarHBondContact N-O 3.26Å; N159-R161 PolarHBondContact O-N 2.78Å; R161-V163 HydrophobicContact CG-CG2 4.37Å; R161-V163 PolarHBondContact O-N 2.98Å; R161-D166 HydrophobicContact CG-CB 3.96Å; R161-Y167 WeakPolarHBondContact CD-O 3.39Å
162D97.1Very high96.4Very high55 Ų5550 Ų5029%0.29428%0.279SS..  trans-86.993.3164.8179.611.4000109.5F135 C164 S165 D166F135-D162 HydrophobicContact CB-CB 3.99Å; D162-C164 PolarHBondContact O-N 3.02Å; D162-C164 VanDerWaalsContact O-N 3.11Å; D162-C164 WeakPolarHBondContact OD1-CB 3.45Å; D162-C164 PolarHBondContact OD1-N 2.82Å; D162-S165 PolarHBondContact O-N 2.97Å; D162-S165 WeakPolarHBondContact OD2-CB 3.5Å; D162-S165 PolarHBondContact OD2-OG 3Å; D162-D166 PolarHBondContact O-N 2.71Å
163V97Very high96.4Very high5 Ų551.5 Ų51.53%0.0329%0.29CS..Hα-helixtrans-61.1-21.3-179.9179.10000112.3A109 F133 R161 S165 Y167 F168 V193A109-V163 HydrophobicContact CB-CB 4.3Å; A109-V163 HydrophobicContact CB-CG2 3.92Å; F133-V163 HydrophobicContact CB-CG2 3.66Å; F133-V163 HydrophobicContact CG-CG2 4.11Å; R161-V163 HydrophobicContact CG-CG2 4.37Å; R161-V163 PolarHBondContact O-N 2.98Å; V163-S165 VanDerWaalsContact C-N 3.3Å; V163-S165 PolarHBondContact O-N 3.26Å; V163-Y167 WeakPolarHBondContact O-CA 3.39Å; V163-Y167 PolarHBondContact O-N 3.24Å; V163-Y167 VanDerWaalsContact O-N 3.16Å; V163-F168 HydrophobicContact CG1-CD1 4.21Å; V163-F168 HydrophobicContact CG1-CD2 3.65Å; V163-F168 HydrophobicContact CG1-CE1 4.05Å; V163-F168 HydrophobicContact CG1-CE2 3.47Å; V163-F168 VanDerWaalsContact CG1-CE2 3.47Å; V163-F168 HydrophobicContact CG1-CG 4.03Å; V163-F168 HydrophobicContact CG1-CZ 3.7Å; V163-F168 HydrophobicContact CG2-CD1 4.17Å; V163-F168 HydrophobicContact CG2-CE1 3.95Å; V163-F168 HydrophobicContact CG2-CZ 4.29Å; V163-V193 HydrophobicContact CG1-CB 4.45Å; V163-V193 HydrophobicContact CG1-CG1 3.58Å; V163-V193 HydrophobicContact CG1-CG2 3.96Å
164C95.9Very high96.4Very high34 Ų3460.2 Ų60.223%0.2333%0.328CS..Hα-helixtrans-72.9-24.8176-630000112.9D162 V192D162-C164 PolarHBondContact O-N 3.02Å; D162-C164 VanDerWaalsContact O-N 3.11Å; D162-C164 WeakPolarHBondContact OD1-CB 3.45Å; D162-C164 PolarHBondContact OD1-N 2.82Å; C164-V192 WeakPolarHBondContact O-CG1 3.42Å
165S95.9Very high96.5Very high75 Ų7556.4 Ų56.452%0.52431%0.307SS..Hα-helixtrans-107.1-44.1-177.8-57.70000111.9D162 V163D162-S165 PolarHBondContact O-N 2.97Å; D162-S165 WeakPolarHBondContact OD2-CB 3.5Å; D162-S165 PolarHBondContact OD2-OG 3Å; V163-S165 VanDerWaalsContact C-N 3.3Å; V163-S165 PolarHBondContact O-N 3.26Å
166D96Very high96.6Very high105 Ų10556.1 Ų56.156%0.56131%0.306SS*.Hα-helixtrans-101.4-5.3-173.1-56.8-41.8000113.4R161 D162R161-D166 HydrophobicContact CG-CB 3.96Å; D162-D166 PolarHBondContact O-N 2.71Å
167Y96.5Very high96.5Very high83 Ų8358.3 Ų58.333%0.32532%0.32SS..  trans57.4-170.1-175.8-47.5-61.9000113.6R161 V163 H196R161-Y167 WeakPolarHBondContact CD-O 3.39Å; V163-Y167 WeakPolarHBondContact O-CA 3.39Å; V163-Y167 PolarHBondContact O-N 3.24Å; V163-Y167 VanDerWaalsContact O-N 3.16Å; Y167-H196 HydrophobicContact CD1-CB 4.2Å; Y167-H196 AromaticContact CD1-CD2 3.44Å; Y167-H196 VanDerWaalsContact CD1-CD2 3.44Å; Y167-H196 WeakPolarHBondContact CD1-CD2 3.46Å; Y167-H196 AromaticContact CD1-CG 3.72Å; Y167-H196 AromaticContact CD1-NE2 3.96Å; Y167-H196 AromaticContact CE1-CD2 3.2Å; Y167-H196 WeakPolarHBondContact CE1-CD2 3.46Å; Y167-H196 AromaticContact CE1-CG 3.9Å; Y167-H196 AromaticContact CE1-NE2 3.31Å; Y167-H196 VanDerWaalsContact CE1-NE2 3.31Å; Y167-H196 WeakPolarHBondContact CE1-NE2 3.4Å; Y167-H196 AromaticContact CE2-CE1 3.72Å; Y167-H196 AromaticContact CE2-NE2 3.81Å; Y167-H196 HydrophobicContact CG-CB 4.3Å; Y167-H196 AromaticContact CG-CG 3.91Å; Y167-H196 AromaticContact CZ-CD2 3.64Å; Y167-H196 AromaticContact CZ-CE1 3.62Å; Y167-H196 AromaticContact CZ-NE2 3.21Å; Y167-H196 PolarHBondContact OH-NE2 2.79Å
168F97.9Very high96.4Very high13 Ų1359.2 Ų59.26%0.05733%0.329CS..PPolyproline II helixtrans-86.6157.4173.9-76.3-72.4000111.4F107 A109 F133 V163 V183 L185 V193 L197 I200F107-F168 HydrophobicContact CB-CD1 4.12Å; F107-F168 HydrophobicContact CB-CE1 3.9Å; F107-F168 HydrophobicContact CB-CZ 4.43Å; F107-F168 HydrophobicContact CD2-CB 4.03Å; F107-F168 AromaticContact CD2-CD1 3.6Å; F107-F168 HydrophobicContact CD2-CD1 3.6Å; F107-F168 HydrophobicContact CD2-CE1 4.27Å; F107-F168 AromaticContact CD2-CG 3.95Å; F107-F168 HydrophobicContact CD2-CG 3.95Å; F107-F168 HydrophobicContact CE2-CB 4.25Å; F107-F168 HydrophobicContact CE2-CD1 4.36Å; F107-F168 HydrophobicContact CG-CD1 4.16Å; F107-F168 HydrophobicContact CG-CE1 4.41Å; A109-F168 HydrophobicContact CB-CE1 4.04Å; A109-F168 HydrophobicContact CB-CZ 3.73Å; F133-F168 AromaticContact CD2-CD1 3.71Å; F133-F168 HydrophobicContact CD2-CD1 3.71Å; F133-F168 AromaticContact CD2-CE1 3.46Å; F133-F168 HydrophobicContact CD2-CE1 3.46Å; F133-F168 VanDerWaalsContact CD2-CE1 3.46Å; F133-F168 AromaticContact CE2-CD1 3.61Å; F133-F168 HydrophobicContact CE2-CD1 3.61Å; F133-F168 AromaticContact CE2-CE1 3.75Å; F133-F168 HydrophobicContact CE2-CE1 3.75Å; F133-F168 HydrophobicContact CG-CD1 4.37Å; F133-F168 HydrophobicContact CG-CE1 4.22Å; F133-F168 HydrophobicContact CZ-CD1 4.21Å; V163-F168 HydrophobicContact CG1-CD1 4.21Å; V163-F168 HydrophobicContact CG1-CD2 3.65Å; V163-F168 HydrophobicContact CG1-CE1 4.05Å; V163-F168 HydrophobicContact CG1-CE2 3.47Å; V163-F168 VanDerWaalsContact CG1-CE2 3.47Å; V163-F168 HydrophobicContact CG1-CG 4.03Å; V163-F168 HydrophobicContact CG1-CZ 3.7Å; V163-F168 HydrophobicContact CG2-CD1 4.17Å; V163-F168 HydrophobicContact CG2-CE1 3.95Å; V163-F168 HydrophobicContact CG2-CZ 4.29Å; F168-V183 HydrophobicContact CE2-CG1 3.86Å; F168-V183 HydrophobicContact CZ-CG1 3.98Å; F168-L185 HydrophobicContact CE2-CD2 3.67Å; F168-L185 HydrophobicContact CZ-CD2 3.71Å; F168-V193 HydrophobicContact CD2-CG1 3.9Å; F168-V193 HydrophobicContact CE2-CG1 3.8Å; F168-L197 HydrophobicContact CD2-CD2 3.91Å; F168-L197 HydrophobicContact CE2-CD2 3.9Å; F168-I200 HydrophobicContact CB-CD1 3.75Å; F168-I200 HydrophobicContact CB-CG2 3.85Å; F168-I200 HydrophobicContact CD2-CD1 3.7Å; F168-I200 HydrophobicContact CE2-CD1 4.44Å; F168-I200 HydrophobicContact CG-CD1 3.83Å
169P97.1Very high96.4Very high5 Ų558.3 Ų58.33%0.03232%0.324CS..PPolyproline II helixtrans-61.6128.7174.210.9-8.1000111.2F107 F133 S173 L175 N176 I200F107-P169 HydrophobicContact CE2-CG 3.84Å; F107-P169 HydrophobicContact CZ-CG 3.9Å; F133-P169 HydrophobicContact CE1-CG 3.96Å; F133-P169 HydrophobicContact CZ-CG 3.67Å; P169-S173 WeakPolarHBondContact CB-OG 3.44Å; P169-L175 HydrophobicContact CB-CB 4.1Å; P169-L175 HydrophobicContact CG-CB 3.81Å; P169-L175 HydrophobicContact CG-CD1 4Å; P169-N176 HydrophobicContact CB-CB 4.49Å; P169-N176 WeakPolarHBondContact O-CB 3.16Å; P169-N176 PolarHBondContact O-ND2 3.5Å; P169-N176 VanDerWaalsContact O-ND2 3.1Å; P169-I200 WeakPolarHBondContact O-CG2 3.36Å
170P96.2Very high96.4Very high76 Ų7656.4 Ų56.449%0.49431%0.314SS..PPolyproline II helixtrans-71.3162.2-176.831.1-36.6000112.1G172 S173 N176P170-G172 PolarHBondContact O-N 2.72Å; P170-S173 VanDerWaalsContact O-CB 3.29Å; P170-S173 WeakPolarHBondContact O-CB 3.27Å; P170-S173 PolarHBondContact O-N 3.14Å; P170-S173 VanDerWaalsContact O-N 3.14Å; P170-S173 PolarHBondContact O-OG 3.22Å; P170-N176 WeakPolarHBondContact O-CB 3.29Å
171I96.7Very high96.5Very high56 Ų5651.6 Ų51.629%0.28729%0.29SS..THydrogen-bonded Turntrans-53.7135.8171.8-62.9163.4000110.1N176 S199 L201 L203I171-N176 CarbonylContact C-O 3.5Å; I171-N176 VanDerWaalsContact CA-O 3.28Å; I171-N176 WeakPolarHBondContact CA-O 3.5Å; I171-S199 WeakPolarHBondContact CD1-O 3.49Å; I171-S199 VanDerWaalsContact CG1-O 3.26Å; I171-S199 WeakPolarHBondContact CG1-O 3.5Å; I171-S199 PolarHBondContact N-O 2.96Å; I171-L201 WeakPolarHBondContact CD1-O 3.31Å; I171-L203 HydrophobicContact CD1-CD2 4.2Å; I171-L203 HydrophobicContact CD1-CG 4.1Å
172G95.7Very high96.6Very high62 Ų6248.1 Ų48.164%0.63928%0.278SS*.THydrogen-bonded Turntrans89.5-5.9-17800000114.5P170 N176 P177P170-G172 PolarHBondContact O-N 2.72Å; G172-N176 PolarHBondContact N-O 2.85Å; G172-P177 PolarHBondContact N-O 3.39Å
173S95.7Very high96.6Very high33 Ų3345.5 Ų45.523%0.23126%0.264CS..BIsolated β-bridgetrans-74.4163.2168.366.60000111.8P169 P170 L175 N176 P177P169-S173 WeakPolarHBondContact CB-OG 3.44Å; P170-S173 VanDerWaalsContact O-CB 3.29Å; P170-S173 WeakPolarHBondContact O-CB 3.27Å; P170-S173 PolarHBondContact O-N 3.14Å; P170-S173 VanDerWaalsContact O-N 3.14Å; P170-S173 PolarHBondContact O-OG 3.22Å; S173-L175 PolarHBondContact O-N 3.37Å; S173-N176 CarbonylContact O-C 3.57Å; S173-N176 PolarHBondContact O-N 3.03Å; S173-N176 PolarHBondContact OG-N 3.4Å; S173-P177 WeakPolarHBondContact O-CA 3.49Å; S173-P177 VanDerWaalsContact O-N 3.15Å
174E94.5Very high96.7Very high191 Ų19145.3 Ų45.389%0.89326%0.262SS*.THydrogen-bonded Turntrans-55.4-38.4178-174.6-179.7177.600112.7
175L94.4Very high96.8Very high37 Ų3743.7 Ų43.719%0.19425%0.251CS..THydrogen-bonded Turntrans-83-15.4-179.9-61.6177.5000113.5Y131 F133 P169 S173Y131-L175 HydrophobicContact CD1-CD2 3.95Å; Y131-L175 HydrophobicContact CE1-CD2 3.65Å; F133-L175 HydrophobicContact CE1-CD1 4.36Å; P169-L175 HydrophobicContact CB-CB 4.1Å; P169-L175 HydrophobicContact CG-CB 3.81Å; P169-L175 HydrophobicContact CG-CD1 4Å; S173-L175 PolarHBondContact O-N 3.37Å
176N97.2Very high96.9Very high0 Ų042.8 Ų42.80%024%0.241CC..BIsolated β-bridgetrans-141.760.9-176.7-163.78.9000112F107 P169 P170 I171 G172 S173 N178 G179 V180 I200F107-N176 HydrophobicContact CE2-CB 4.14Å; F107-N176 HydrophobicContact CZ-CB 3.73Å; P169-N176 HydrophobicContact CB-CB 4.49Å; P169-N176 WeakPolarHBondContact O-CB 3.16Å; P169-N176 PolarHBondContact O-ND2 3.5Å; P169-N176 VanDerWaalsContact O-ND2 3.1Å; P170-N176 WeakPolarHBondContact O-CB 3.29Å; I171-N176 CarbonylContact C-O 3.5Å; I171-N176 VanDerWaalsContact CA-O 3.28Å; I171-N176 WeakPolarHBondContact CA-O 3.5Å; G172-N176 PolarHBondContact N-O 2.85Å; S173-N176 CarbonylContact O-C 3.57Å; S173-N176 PolarHBondContact O-N 3.03Å; S173-N176 PolarHBondContact OG-N 3.4Å; N176-N178 VanDerWaalsContact C-N 3.33Å; N176-N178 PolarHBondContact O-N 3.34Å; N176-G179 WeakPolarHBondContact OD1-CA 3.44Å; N176-G179 PolarHBondContact OD1-N 3.23Å; N176-G179 VanDerWaalsContact OD1-N 3.1Å; N176-V180 PolarHBondContact OD1-N 2.83Å; N176-I200 PolarHBondContact ND2-O 2.92Å
177P96Very high96.9Very high52 Ų5238.9 Ų38.934%0.33822%0.22SC..SBendtrans-63.1-37.9-170.322.6-33.4000113.2W105 G172 S173W105-P177 HydrophobicContact CH2-CG 4.19Å; W105-P177 HydrophobicContact CZ3-CG 4.26Å; G172-P177 PolarHBondContact N-O 3.39Å; S173-P177 WeakPolarHBondContact O-CA 3.49Å; S173-P177 VanDerWaalsContact O-N 3.15Å
178N95.7Very high96.9Very high108 Ų10839.4 Ų39.458%0.57823%0.234SC*.SBendtrans-1227.3-172.1-60.6-53.2000114.3N176 R202N176-N178 VanDerWaalsContact C-N 3.33Å; N176-N178 PolarHBondContact O-N 3.34Å; N178-R202 PolarHBondContact O-NH1 2.96Å
179G97.2Very high96.8Very high2 Ų245.7 Ų45.72%0.02126%0.257CS..  trans84.8153.7-169.500000113.1N176 I200 R202N176-G179 WeakPolarHBondContact OD1-CA 3.44Å; N176-G179 PolarHBondContact OD1-N 3.23Å; N176-G179 VanDerWaalsContact OD1-N 3.1Å; G179-I200 CarbonylContact C-O 3.22Å; G179-I200 VanDerWaalsContact CA-O 3.25Å; G179-I200 WeakPolarHBondContact CA-O 3.46Å; G179-R202 WeakPolarHBondContact O-CG 3.18Å
180V98.1Very high96.8Very high0 Ų045.4 Ų45.40%026%0.255CS..BIsolated β-bridgetrans-97.7153.3175.8-62.10000112W105 F107 N176 V183 I200 L201 R202W105-V180 HydrophobicContact CB-CB 4.35Å; W105-V180 HydrophobicContact CB-CG1 4.16Å; F107-V180 HydrophobicContact CB-CG2 4.41Å; F107-V180 HydrophobicContact CD1-CB 4.47Å; F107-V180 HydrophobicContact CD1-CG1 3.46Å; F107-V180 VanDerWaalsContact CD1-CG1 3.46Å; F107-V180 HydrophobicContact CD2-CG1 4.07Å; F107-V180 HydrophobicContact CD2-CG2 4.14Å; F107-V180 HydrophobicContact CE1-CG1 3.43Å; F107-V180 VanDerWaalsContact CE1-CG1 3.43Å; F107-V180 HydrophobicContact CE2-CG1 4.02Å; F107-V180 HydrophobicContact CG-CB 4.49Å; F107-V180 HydrophobicContact CG-CG1 3.82Å; F107-V180 HydrophobicContact CG-CG2 4.13Å; F107-V180 HydrophobicContact CZ-CG1 3.73Å; N176-V180 PolarHBondContact OD1-N 2.83Å; V180-V183 HydrophobicContact CG2-CG2 3.99Å; V180-I200 HydrophobicContact CG2-CD1 4.31Å; V180-I200 PolarHBondContact N-O 3.33Å; V180-L201 HydrophobicContact CG2-CD2 4.21Å; V180-L201 WeakPolarHBondContact O-CA 3.49Å; V180-L201 WeakPolarHBondContact O-CD2 3.25Å; V180-R202 PolarHBondContact O-N 2.9Å
181D98.3Very high96.9Very high18 Ų1844.2 Ų44.210%0.09624%0.241CC..SBendtrans-80.8-35.4178.3-62.8-90.3000112K104 W105 G207 R208K104-D181 WeakPolarHBondContact CA-OD2 3.46Å; K104-D181 HydrophobicContact CB-CB 4.41Å; K104-D181 HydrophobicContact CD-CB 3.51Å; K104-D181 VanDerWaalsContact CD-OD1 3.32Å; K104-D181 WeakPolarHBondContact CD-OD1 3.48Å; K104-D181 WeakPolarHBondContact CD-OD2 3.48Å; K104-D181 IonicContact NZ-OD1 3.48Å; K104-D181 PolarHBondContact NZ-OD1 3.35Å; W105-D181 PolarHBondContact N-OD2 3.3Å; W105-D181 PolarHBondContact O-N 2.99Å; D181-G207 WeakPolarHBondContact O-CA 3.37Å; D181-R208 PolarHBondContact O-N 3.34Å
182A98.6Very high97Very high1 Ų143.5 Ų43.51%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-142.7155.3-176.800000113.9L98 L100 W105 V106 F107 R208L98-A182 HydrophobicContact CB-CB 4.4Å; L98-A182 HydrophobicContact CD1-CB 4.18Å; L98-A182 HydrophobicContact CD2-CB 4.24Å; L100-A182 HydrophobicContact CD2-CB 3.78Å; W105-A182 PolarHBondContact O-N 3.39Å; V106-A182 WeakPolarHBondContact CA-O 3.35Å; V106-A182 HydrophobicContact CG1-CB 4.41Å; V106-A182 HydrophobicContact CG2-CB 4.32Å; F107-A182 PolarHBondContact N-O 3.36Å; A182-R208 CarbonylContact C-O 3.57Å; A182-R208 WeakPolarHBondContact CA-O 3.2Å; A182-R208 HydrophobicContact CB-CB 4.26Å
183V98.6Very high97.1Very high0 Ų040.6 Ų40.60%021%0.209CC..EExtended strand (participates in β ladder)trans-131.8133.2175.9-174.30000110F107 F168 V180 L185 L197 I200 L201 R208 V209 C210F107-V183 HydrophobicContact CB-CG1 4.49Å; F107-V183 HydrophobicContact CB-CG2 4.44Å; F107-V183 CarbonylContact O-C 3.59Å; F107-V183 VanDerWaalsContact O-CA 3.27Å; F107-V183 WeakPolarHBondContact O-CA 3.29Å; F168-V183 HydrophobicContact CE2-CG1 3.86Å; F168-V183 HydrophobicContact CZ-CG1 3.98Å; V180-V183 HydrophobicContact CG2-CG2 3.99Å; V183-L185 HydrophobicContact CG1-CD2 3.83Å; V183-L185 HydrophobicContact CG1-CG 4.18Å; V183-L197 HydrophobicContact CG1-CD2 3.99Å; V183-L197 HydrophobicContact CG2-CD2 4.43Å; V183-I200 HydrophobicContact CG2-CD1 3.64Å; V183-I200 HydrophobicContact CG2-CG1 4.47Å; V183-L201 HydrophobicContact CG2-CD2 3.97Å; V183-R208 PolarHBondContact N-O 2.98Å; V183-V209 HydrophobicContact CB-CG2 4.31Å; V183-V209 CarbonylContact O-C 3.54Å; V183-V209 WeakPolarHBondContact O-CA 3.09Å; V183-C210 PolarHBondContact O-N 3.07Å
184V98.6Very high97.2Very high0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-114.5129.7170.3-171.20000110.5I94 L98 V106 F107 E108 A109 L116 L120 C210I94-V184 HydrophobicContact CG2-CG1 4.41Å; I94-V184 HydrophobicContact CG2-CG2 4.04Å; L98-V184 HydrophobicContact CD1-CG2 3.39Å; V106-V184 HydrophobicContact CG1-CG2 4.45Å; F107-V184 PolarHBondContact O-N 3.48Å; E108-V184 WeakPolarHBondContact CA-O 3.32Å; A109-V184 PolarHBondContact N-O 3.48Å; L116-V184 HydrophobicContact CD2-CB 4.24Å; L116-V184 HydrophobicContact CD2-CG1 3.57Å; L116-V184 HydrophobicContact CD2-CG2 4.39Å; L120-V184 HydrophobicContact CD1-CG2 4.35Å; L120-V184 HydrophobicContact CD2-CG2 4.29Å; V184-C210 CarbonylContact C-O 3.52Å; V184-C210 WeakPolarHBondContact CA-O 3.43Å; V184-C210 HydrophobicContact CG2-CB 4.49Å
185L98.4Very high97.3Very high0 Ų033.4 Ų33.40%018%0.178CC..EExtended strand (participates in β ladder)trans-119106.3178-56-178.1000111.7A109 F168 V183 L187 P190 I194 L197 C210 L211 F212A109-L185 HydrophobicContact CB-CD2 4.46Å; A109-L185 CarbonylContact O-C 3.48Å; A109-L185 VanDerWaalsContact O-CA 3.25Å; A109-L185 WeakPolarHBondContact O-CA 3.49Å; F168-L185 HydrophobicContact CE2-CD2 3.67Å; F168-L185 HydrophobicContact CZ-CD2 3.71Å; V183-L185 HydrophobicContact CG1-CD2 3.83Å; V183-L185 HydrophobicContact CG1-CG 4.18Å; L185-L187 HydrophobicContact CD2-CD1 4.24Å; L185-P190 HydrophobicContact CB-CB 4.08Å; L185-P190 HydrophobicContact CD1-CB 4Å; L185-I194 HydrophobicContact CD1-CG1 4.41Å; L185-L197 HydrophobicContact CD1-CD1 4.13Å; L185-C210 PolarHBondContact N-O 2.93Å; L185-L211 HydrophobicContact CB-CD2 4.36Å; L185-L211 HydrophobicContact CB-CG 4.33Å; L185-L211 HydrophobicContact CD1-CD2 3.99Å; L185-L211 HydrophobicContact CD1-CG 4.41Å; L185-L211 WeakPolarHBondContact O-CA 3.47Å; L185-F212 PolarHBondContact O-N 2.68Å
186D97.4Very high97.5Very high57 Ų5734.9 Ų34.931%0.30518%0.184SC..EExtended strand (participates in β ladder)trans-109.581.5162.4-175.98000108.5I86 A109 G110 F212I86-D186 HydrophobicContact CD1-CB 4.41Å; A109-D186 CarbonylContact O-C 3.45Å; A109-D186 PolarHBondContact O-N 3.45Å; G110-D186 PolarHBondContact N-O 3.03Å; D186-F212 HydrophobicContact CB-CB 4.34Å
187L96.6Very high97.5Very high22 Ų2234.9 Ų34.912%0.11518%0.184CC..  trans-132.7154.2-176.2-63.5173.9000110.2A109 L185 R189 P190 V193A109-L187 HydrophobicContact CB-CD1 4.23Å; A109-L187 HydrophobicContact CB-CD2 4.21Å; A109-L187 HydrophobicContact CB-CG 4.41Å; A109-L187 WeakPolarHBondContact O-CG 3.46Å; L185-L187 HydrophobicContact CD2-CD1 4.24Å; L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 2.83Å; L187-P190 HydrophobicContact CB-CB 4.4Å; L187-P190 WeakPolarHBondContact O-CD 3.25Å; L187-V193 HydrophobicContact CD1-CG2 4.11Å
188P95.2Very high97.4Very high95 Ų9533.2 Ų33.262%0.61718%0.175SC*.SBendtrans-65.2-28.3174.9-23.734.5000114.3Q218P188-Q218 PolarHBondContact O-NE2 3.02Å
189R97Very high97.4Very high144 Ų14431.1 Ų31.154%0.54317%0.17SC..  trans-137.958.1-173-63.3175.255.4-174.4-4.2112.4L187 W191 V192L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 2.83Å; R189-W191 HydrophobicContact CB-CH2 4.26Å; R189-W191 HydrophobicContact CB-CZ2 3.93Å; R189-W191 HydrophobicContact CG-CH2 4.08Å; R189-W191 HydrophobicContact CG-CZ2 3.75Å; R189-W191 PolarHBondContact O-N 2.89Å; R189-V192 HydrophobicContact CB-CG2 4.25Å; R189-V192 PolarHBondContact O-N 3.09Å
190P97.4Very high97.4Very high0 Ų031.1 Ų31.10%017%0.169CC..G310 helixtrans-67.3-24.2-170.529.8-36.2000113.2L185 L187 V192 V193 I194 L211 S222L185-P190 HydrophobicContact CB-CB 4.08Å; L185-P190 HydrophobicContact CD1-CB 4Å; L187-P190 HydrophobicContact CB-CB 4.4Å; L187-P190 WeakPolarHBondContact O-CD 3.25Å; P190-V192 PolarHBondContact O-N 3.43Å; P190-V192 VanDerWaalsContact O-N 3.07Å; P190-V193 PolarHBondContact O-N 3.29Å; P190-I194 WeakPolarHBondContact O-CG1 3.42Å; P190-I194 PolarHBondContact O-N 3.23Å; P190-L211 HydrophobicContact CB-CD2 3.67Å; P190-L211 HydrophobicContact CG-CD2 3.89Å; P190-S222 WeakPolarHBondContact CG-OG 3.5Å
191W98.1Very high97.4Very high51 Ų5131.1 Ų31.119%0.19317%0.169CC..G310 helixtrans-58.4-19.3176.157.984.5000114.7R189 V193 I194 P195 Q218 R221 A225R189-W191 HydrophobicContact CB-CH2 4.26Å; R189-W191 HydrophobicContact CB-CZ2 3.93Å; R189-W191 HydrophobicContact CG-CH2 4.08Å; R189-W191 HydrophobicContact CG-CZ2 3.75Å; R189-W191 PolarHBondContact O-N 2.89Å; W191-V193 VanDerWaalsContact C-N 3.33Å; W191-I194 HydrophobicContact CB-CD1 4.41Å; W191-P195 WeakPolarHBondContact O-CD 3.49Å; W191-Q218 HydrophobicContact CH2-CG 4.14Å; W191-Q218 HydrophobicContact CZ3-CB 3.82Å; W191-Q218 HydrophobicContact CZ3-CG 3.87Å; W191-R221 HydrophobicContact CB-CB 4.37Å; W191-R221 HydrophobicContact CD2-CB 3.72Å; W191-R221 HydrophobicContact CE3-CB 3.67Å; W191-R221 HydrophobicContact CG-CB 4.04Å; W191-R221 HydrophobicContact CZ3-CB 4.24Å; W191-A225 HydrophobicContact CB-CB 3.85Å
192V98Very high97.3Very high40 Ų4033.2 Ų33.224%0.24218%0.175CC..G310 helixtrans-72-30.9173.8179.20000111.6C164 R189 P190C164-V192 WeakPolarHBondContact O-CG1 3.42Å; R189-V192 HydrophobicContact CB-CG2 4.25Å; R189-V192 PolarHBondContact O-N 3.09Å; P190-V192 PolarHBondContact O-N 3.43Å; P190-V192 VanDerWaalsContact O-N 3.07Å
193V97.6Very high97Very high1 Ų139 Ų391%0.00621%0.206CC..THydrogen-bonded Turntrans-89.2-32.1-175.7-172.60000111.3V163 F168 L187 P190 W191 P195 H196 L197V163-V193 HydrophobicContact CG1-CB 4.45Å; V163-V193 HydrophobicContact CG1-CG1 3.58Å; V163-V193 HydrophobicContact CG1-CG2 3.96Å; F168-V193 HydrophobicContact CD2-CG1 3.9Å; F168-V193 HydrophobicContact CE2-CG1 3.8Å; L187-V193 HydrophobicContact CD1-CG2 4.11Å; P190-V193 PolarHBondContact O-N 3.29Å; W191-V193 VanDerWaalsContact C-N 3.33Å; V193-P195 VanDerWaalsContact C-CD 3.46Å; V193-H196 PolarHBondContact O-N 3.01Å; V193-L197 HydrophobicContact CG1-CD2 4.05Å
194I98.3Very high96.8Very high0 Ų044.6 Ų44.60%024%0.236CC..G310 helixtrans-48.2-45.5-174.5-72.4166.4000114.1L185 P190 W191 H196 L197 L211 A225 L226 F231L185-I194 HydrophobicContact CD1-CG1 4.41Å; P190-I194 WeakPolarHBondContact O-CG1 3.42Å; P190-I194 PolarHBondContact O-N 3.23Å; W191-I194 HydrophobicContact CB-CD1 4.41Å; I194-H196 PolarHBondContact O-N 2.8Å; I194-L197 HydrophobicContact CB-CD1 4.46Å; I194-L197 HydrophobicContact CG1-CD1 4.17Å; I194-L197 WeakPolarHBondContact O-CB 3.18Å; I194-L197 PolarHBondContact O-N 3Å; I194-L197 VanDerWaalsContact O-N 3.1Å; I194-L211 HydrophobicContact CD1-CD2 3.54Å; I194-L211 HydrophobicContact CG1-CD2 4.1Å; I194-A225 HydrophobicContact CB-CB 4.18Å; I194-A225 HydrophobicContact CD1-CB 4.18Å; I194-A225 HydrophobicContact CG2-CB 4.06Å; I194-L226 HydrophobicContact CD1-CD2 4.34Å; I194-L226 HydrophobicContact CD1-CG 3.97Å; I194-L226 HydrophobicContact CG1-CD2 4.39Å; I194-L226 HydrophobicContact CG2-CB 4.44Å; I194-L226 HydrophobicContact CG2-CD2 3.79Å; I194-L226 HydrophobicContact CG2-CG 4.02Å; I194-F231 HydrophobicContact CG2-CE2 4.37Å
195P97.4Very high96.5Very high74 Ų7446.1 Ų46.148%0.48125%0.246SC..G310 helixtrans-58.2-23178.7-27.336.7000115W191 V193 S229W191-P195 WeakPolarHBondContact O-CD 3.49Å; V193-P195 VanDerWaalsContact C-CD 3.46Å; P195-S229 WeakPolarHBondContact CA-OG 3.34Å
196H97.1Very high96.4Very high68 Ų6850.9 Ų50.932%0.31527%0.271SS..G310 helixtrans-94.4-11.2-177.6-61.5-85.6000113.3Y167 V193 I194 G198 S199Y167-H196 HydrophobicContact CD1-CB 4.2Å; Y167-H196 AromaticContact CD1-CD2 3.44Å; Y167-H196 VanDerWaalsContact CD1-CD2 3.44Å; Y167-H196 WeakPolarHBondContact CD1-CD2 3.46Å; Y167-H196 AromaticContact CD1-CG 3.72Å; Y167-H196 AromaticContact CD1-NE2 3.96Å; Y167-H196 AromaticContact CE1-CD2 3.2Å; Y167-H196 WeakPolarHBondContact CE1-CD2 3.46Å; Y167-H196 AromaticContact CE1-CG 3.9Å; Y167-H196 AromaticContact CE1-NE2 3.31Å; Y167-H196 VanDerWaalsContact CE1-NE2 3.31Å; Y167-H196 WeakPolarHBondContact CE1-NE2 3.4Å; Y167-H196 AromaticContact CE2-CE1 3.72Å; Y167-H196 AromaticContact CE2-NE2 3.81Å; Y167-H196 HydrophobicContact CG-CB 4.3Å; Y167-H196 AromaticContact CG-CG 3.91Å; Y167-H196 AromaticContact CZ-CD2 3.64Å; Y167-H196 AromaticContact CZ-CE1 3.62Å; Y167-H196 AromaticContact CZ-NE2 3.21Å; Y167-H196 PolarHBondContact OH-NE2 2.79Å; V193-H196 PolarHBondContact O-N 3.01Å; I194-H196 PolarHBondContact O-N 2.8Å; H196-G198 VanDerWaalsContact C-N 3.3Å; H196-G198 PolarHBondContact O-N 3.2Å; H196-S199 PolarHBondContact O-N 3.2Å; H196-S199 VanDerWaalsContact O-N 3.14Å; H196-S199 PolarHBondContact O-OG 3.49Å
197L97.5Very high96.4Very high0 Ų048.1 Ų48.10%026%0.256CS..G310 helixtrans-63.9-32.1-173.6-65.6-178.8000113.4F168 V183 L185 V193 I194 S199 I200 L201 V209 F231F168-L197 HydrophobicContact CD2-CD2 3.91Å; F168-L197 HydrophobicContact CE2-CD2 3.9Å; V183-L197 HydrophobicContact CG1-CD2 3.99Å; V183-L197 HydrophobicContact CG2-CD2 4.43Å; L185-L197 HydrophobicContact CD1-CD1 4.13Å; V193-L197 HydrophobicContact CG1-CD2 4.05Å; I194-L197 HydrophobicContact CB-CD1 4.46Å; I194-L197 HydrophobicContact CG1-CD1 4.17Å; I194-L197 WeakPolarHBondContact O-CB 3.18Å; I194-L197 PolarHBondContact O-N 3Å; I194-L197 VanDerWaalsContact O-N 3.1Å; L197-S199 PolarHBondContact O-N 3.35Å; L197-S199 VanDerWaalsContact O-N 3.16Å; L197-I200 HydrophobicContact CD2-CD1 3.98Å; L197-I200 WeakPolarHBondContact O-CG1 3.33Å; L197-I200 PolarHBondContact O-N 3.06Å; L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 2.73Å; L197-V209 HydrophobicContact CD1-CG1 3.82Å; L197-V209 HydrophobicContact CD1-CG2 4.06Å; L197-F231 HydrophobicContact CB-CE2 4.25Å; L197-F231 HydrophobicContact CB-CZ 3.73Å; L197-F231 HydrophobicContact CD1-CZ 4.23Å
198G94.8Very high96.5Very high16 Ų1649.8 Ų49.817%0.16526%0.261CS..G310 helixtrans-60.3-25.3177.500000113.6H196H196-G198 VanDerWaalsContact C-N 3.3Å; H196-G198 PolarHBondContact O-N 3.2Å
199S94.6Very high96.6Very high65 Ų6545.2 Ų45.246%0.45523%0.231SC..G310 helixtrans-84.5-6.5-178.872.70000114.9I171 H196 L197I171-S199 WeakPolarHBondContact CD1-O 3.49Å; I171-S199 VanDerWaalsContact CG1-O 3.26Å; I171-S199 WeakPolarHBondContact CG1-O 3.5Å; I171-S199 PolarHBondContact N-O 2.96Å; H196-S199 PolarHBondContact O-N 3.2Å; H196-S199 VanDerWaalsContact O-N 3.14Å; H196-S199 PolarHBondContact O-OG 3.49Å; L197-S199 PolarHBondContact O-N 3.35Å; L197-S199 VanDerWaalsContact O-N 3.16Å
200I97.5Very high96.7Very high2 Ų238.4 Ų38.41%0.0121%0.205CC..THydrogen-bonded Turntrans-112.8-18.4-17964158.8000113.2F107 F168 P169 N176 G179 V180 V183 L197F107-I200 HydrophobicContact CD2-CD1 3.86Å; F168-I200 HydrophobicContact CB-CD1 3.75Å; F168-I200 HydrophobicContact CB-CG2 3.85Å; F168-I200 HydrophobicContact CD2-CD1 3.7Å; F168-I200 HydrophobicContact CE2-CD1 4.44Å; F168-I200 HydrophobicContact CG-CD1 3.83Å; P169-I200 WeakPolarHBondContact O-CG2 3.36Å; N176-I200 PolarHBondContact ND2-O 2.92Å; G179-I200 CarbonylContact C-O 3.22Å; G179-I200 VanDerWaalsContact CA-O 3.25Å; G179-I200 WeakPolarHBondContact CA-O 3.46Å; V180-I200 HydrophobicContact CG2-CD1 4.31Å; V180-I200 PolarHBondContact N-O 3.33Å; V183-I200 HydrophobicContact CG2-CD1 3.64Å; V183-I200 HydrophobicContact CG2-CG1 4.47Å; L197-I200 HydrophobicContact CD2-CD1 3.98Å; L197-I200 WeakPolarHBondContact O-CG1 3.33Å; L197-I200 PolarHBondContact O-N 3.06Å
201L97.6Very high96.8Very high0 Ų038.4 Ų38.40%021%0.205CC..BIsolated β-bridgetrans-79.3148-179.8-70.6166.8000110.4I171 V180 V183 L197 L203 V209 F231 W350I171-L201 WeakPolarHBondContact CD1-O 3.31Å; V180-L201 HydrophobicContact CG2-CD2 4.21Å; V180-L201 WeakPolarHBondContact O-CA 3.49Å; V180-L201 WeakPolarHBondContact O-CD2 3.25Å; V183-L201 HydrophobicContact CG2-CD2 3.97Å; L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 2.73Å; L201-L203 PolarHBondContact O-N 2.95Å; L201-V209 HydrophobicContact CD1-CG2 4.23Å; L201-F231 HydrophobicContact CD1-CE1 4.15Å; L201-F231 HydrophobicContact CD1-CZ 4.24Å; L201-W350 HydrophobicContact CB-CG 4.49Å; L201-W350 HydrophobicContact CD1-CB 3.41Å; L201-W350 VanDerWaalsContact CD1-CB 3.41Å; L201-W350 HydrophobicContact CD1-CD2 4.39Å; L201-W350 HydrophobicContact CD1-CG 3.63Å
202R96Very high96.8Very high61 Ų6136.7 Ų36.723%0.2320%0.199CC..  trans-51140.2175.9-69.6-166.667.488.10.7112.1N178 G179 V180 D204 S205N178-R202 PolarHBondContact O-NH1 2.96Å; G179-R202 WeakPolarHBondContact O-CG 3.18Å; V180-R202 PolarHBondContact O-N 2.9Å; R202-D204 IonicContact CZ-OD1 2.97Å; R202-D204 VanDerWaalsContact CZ-OD1 3.27Å; R202-D204 IonicContact CZ-OD2 3.6Å; R202-D204 IonicContact NE-OD1 2.66Å; R202-D204 PolarHBondContact NE-OD1 2.78Å; R202-D204 IonicContact NE-OD2 3.72Å; R202-D204 VanDerWaalsContact NH2-CG 3.28Å; R202-D204 IonicContact NH2-OD1 3.71Å; R202-D204 PolarHBondContact NH2-OD1 2.77Å; R202-D204 IonicContact NH2-OD2 3.96Å; R202-D204 PolarHBondContact NH2-OD2 2.8Å; R202-S205 WeakPolarHBondContact CB-OG 3.49Å
203L93.6Very high96.7Very high124 Ų12434.9 Ų34.965%0.64919%0.188SC*.SBendtrans-84.8-20.6178.9-60.5178.5000112.9I171 L201 P352I171-L203 HydrophobicContact CD1-CD2 4.2Å; I171-L203 HydrophobicContact CD1-CG 4.1Å; L201-L203 PolarHBondContact O-N 2.95Å; L203-P352 VanDerWaalsContact O-CB 3.23Å; L203-P352 WeakPolarHBondContact O-CB 3.43Å
204D93.1Very high96.6Very high117 Ų11738.2 Ų38.263%0.62621%0.21SC*.SBendtrans-101.4-2.2-174.165-23000113.6R202R202-D204 IonicContact CZ-OD1 2.97Å; R202-D204 VanDerWaalsContact CZ-OD1 3.27Å; R202-D204 IonicContact CZ-OD2 3.6Å; R202-D204 IonicContact NE-OD1 2.66Å; R202-D204 PolarHBondContact NE-OD1 2.78Å; R202-D204 IonicContact NE-OD2 3.72Å; R202-D204 VanDerWaalsContact NH2-CG 3.28Å; R202-D204 IonicContact NH2-OD1 3.71Å; R202-D204 PolarHBondContact NH2-OD1 2.77Å; R202-D204 IonicContact NH2-OD2 3.96Å; R202-D204 PolarHBondContact NH2-OD2 2.8Å
205S93.8Very high96.5Very high31 Ų3141.1 Ų41.122%0.21723%0.23CC..SBendtrans-143.9160.5-177.472.30000112.5R202 G207 P352R202-S205 WeakPolarHBondContact CB-OG 3.49Å; S205-G207 PolarHBondContact O-N 3.35Å; S205-P352 WeakPolarHBondContact O-CD 3.42Å; S205-P352 WeakPolarHBondContact O-CG 3.24Å
206I96Very high96.4Very high100 Ų10041 Ų4151%0.51322%0.224SC..  trans-66.7126.1175-64.1174.1000108.8T349I206-T349 HydrophobicContact CG2-CG2 3.28Å
207G97.4Very high96.4Very high0 Ų042.5 Ų42.50%023%0.232CC..EExtended strand (participates in β ladder)trans-92.3144.8175.300000112D181 S205 W350D181-G207 WeakPolarHBondContact O-CA 3.37Å; S205-G207 PolarHBondContact O-N 3.35Å; G207-W350 PolarHBondContact N-O 3.18Å; G207-W350 PolarHBondContact O-N 2.98Å
208R98.3Very high96.5Very high56 Ų5644 Ų4421%0.21124%0.238CC..EExtended strand (participates in β ladder)trans-117.1135.7179.4-59.9-66.3-68.7-172-8.8110.9G97 L98 D99 D181 A182 V183 T349G97-R208 PolarHBondContact O-NE 2.79Å; G97-R208 PolarHBondContact O-NH2 2.97Å; L98-R208 HydrophobicContact CD2-CB 3.58Å; D99-R208 IonicContact OD2-CZ 3.97Å; D99-R208 IonicContact OD2-NE 3.81Å; D99-R208 IonicContact OD2-NH2 2.99Å; D181-R208 PolarHBondContact O-N 3.34Å; A182-R208 CarbonylContact C-O 3.57Å; A182-R208 WeakPolarHBondContact CA-O 3.2Å; A182-R208 HydrophobicContact CB-CB 4.26Å; V183-R208 PolarHBondContact N-O 2.98Å; R208-T349 PolarHBondContact NH1-OG1 2.85Å
209V98.5Very high96.6Very high0 Ų043.6 Ų43.60%023%0.233CC..EExtended strand (participates in β ladder)trans-125.8136177.6179.50000109.2V183 L197 L201 L211 F231 F347 A348V183-V209 HydrophobicContact CB-CG2 4.31Å; V183-V209 CarbonylContact O-C 3.54Å; V183-V209 WeakPolarHBondContact O-CA 3.09Å; L197-V209 HydrophobicContact CD1-CG1 3.82Å; L197-V209 HydrophobicContact CD1-CG2 4.06Å; L201-V209 HydrophobicContact CD1-CG2 4.23Å; V209-L211 HydrophobicContact CG1-CD1 3.93Å; V209-L211 HydrophobicContact CG1-CG 4.38Å; V209-F231 HydrophobicContact CB-CE1 4.23Å; V209-F231 HydrophobicContact CG2-CD1 4.35Å; V209-F231 HydrophobicContact CG2-CE1 3.46Å; V209-F231 VanDerWaalsContact CG2-CE1 3.46Å; V209-F231 HydrophobicContact CG2-CZ 4.01Å; V209-F347 CarbonylContact O-C 3.55Å; V209-F347 WeakPolarHBondContact O-CA 3.19Å; V209-A348 PolarHBondContact N-O 3.1Å; V209-A348 PolarHBondContact O-N 3.45Å
210C98.7Very high96.8Very high0 Ų046.4 Ų46.40%024%0.239CC..EExtended strand (participates in β ladder)trans-124.9134.2173.6179.10000109.3I94 L98 V183 V184 L185 I345 T346 F347I94-C210 HydrophobicContact CG2-CB 4.31Å; L98-C210 HydrophobicContact CD1-CB 3.93Å; L98-C210 HydrophobicContact CD2-CB 3.66Å; L98-C210 HydrophobicContact CG-CB 3.86Å; V183-C210 PolarHBondContact O-N 3.07Å; V184-C210 CarbonylContact C-O 3.52Å; V184-C210 WeakPolarHBondContact CA-O 3.43Å; V184-C210 HydrophobicContact CG2-CB 4.49Å; L185-C210 PolarHBondContact N-O 2.93Å; C210-I345 VanDerWaalsContact SG-CG2 3.55Å; C210-T346 CarbonylContact C-O 3.58Å; C210-T346 WeakPolarHBondContact CA-O 2.76Å; C210-F347 HydrophobicContact CB-CD1 4.08Å; C210-F347 HydrophobicContact CB-CE1 4.06Å
211L98.4Very high96.8Very high0 Ų052.7 Ų52.70%026%0.262CS..EExtended strand (participates in β ladder)trans-121.6136174.5-56.6101.2000109.7L185 P190 I194 V209 L226 I345 T346L185-L211 HydrophobicContact CB-CD2 4.36Å; L185-L211 HydrophobicContact CB-CG 4.33Å; L185-L211 HydrophobicContact CD1-CD2 3.99Å; L185-L211 HydrophobicContact CD1-CG 4.41Å; L185-L211 WeakPolarHBondContact O-CA 3.47Å; P190-L211 HydrophobicContact CB-CD2 3.67Å; P190-L211 HydrophobicContact CG-CD2 3.89Å; I194-L211 HydrophobicContact CD1-CD2 3.54Å; I194-L211 HydrophobicContact CG1-CD2 4.1Å; V209-L211 HydrophobicContact CG1-CD1 3.93Å; V209-L211 HydrophobicContact CG1-CG 4.38Å; L211-L226 HydrophobicContact CD1-CD1 3.74Å; L211-L226 HydrophobicContact CD1-CD2 4.39Å; L211-L226 HydrophobicContact CD1-CG 4.45Å; L211-I345 CarbonylContact O-C 3.53Å; L211-I345 WeakPolarHBondContact O-CA 3.33Å; L211-T346 HydrophobicContact CD1-CG2 4.35Å; L211-T346 PolarHBondContact N-O 3.02Å; L211-T346 PolarHBondContact O-N 3.16Å
212F97.8Very high96.9Very high15 Ų1552.7 Ų52.77%0.06626%0.262CS..EExtended strand (participates in β ladder)trans-108.6128.9173.1-176.5-99.2000109.6I86 L185 D186 H341 I345I86-F212 HydrophobicContact CD1-CB 4.29Å; I86-F212 HydrophobicContact CD1-CD1 4.46Å; I86-F212 HydrophobicContact CD1-CG 4.15Å; I86-F212 HydrophobicContact CG1-CD1 4.45Å; I86-F212 HydrophobicContact CG1-CG 4.45Å; L185-F212 PolarHBondContact O-N 2.68Å; D186-F212 HydrophobicContact CB-CB 4.34Å; F212-H341 AromaticContact CE2-CD2 3.45Å; F212-H341 VanDerWaalsContact CE2-CD2 3.45Å; F212-H341 WeakPolarHBondContact CE2-CD2 3.07Å; F212-H341 AromaticContact CE2-CE1 3.81Å; F212-H341 AromaticContact CE2-NE2 2.91Å; F212-H341 WeakPolarHBondContact CE2-NE2 3.49Å; F212-H341 AromaticContact CZ-CD2 3.14Å; F212-H341 WeakPolarHBondContact CZ-CD2 3.43Å; F212-H341 AromaticContact CZ-CE1 3.78Å; F212-H341 AromaticContact CZ-CG 3.87Å; F212-H341 AromaticContact CZ-NE2 3.05Å; F212-H341 WeakPolarHBondContact CZ-NE2 3.46Å; F212-I345 HydrophobicContact CD2-CG1 4.05Å
213S97Very high97Very high2 Ų251.2 Ų51.21%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-147.2128-178.6-74.40000112.4Y344S213-Y344 PolarHBondContact N-O 3.25Å; S213-Y344 PolarHBondContact O-N 3.24Å
214P94.9Very high97.2Very high72 Ų7247.4 Ų47.447%0.46825%0.247SC..SBendtrans-74-29179.427.7-34.8000113.8
215C95.6Very high97.5Very high60 Ų6042.2 Ų42.241%0.40522%0.221SC..SBendtrans-111.3142.7-174.8-58.90000112.3E217 Q218 V219C215-E217 VanDerWaalsContact C-N 3.26Å; C215-E217 WeakPolarHBondContact CB-OE2 3.11Å; C215-E217 PolarHBondContact O-N 3.37Å; C215-Q218 HydrophobicContact CB-CG 4.21Å; C215-Q218 VanDerWaalsContact N-OE1 3.1Å; C215-Q218 WeakPolarHBondContact O-CB 3.37Å; C215-Q218 PolarHBondContact O-N 3.01Å; C215-Q218 VanDerWaalsContact O-N 3.1Å; C215-V219 PolarHBondContact O-N 2.84Å
216I96.7Very high97.7Very high71 Ų7140.8 Ų40.836%0.36421%0.211SC..Hα-helixtrans-66.6-28.2-177.9-164.663.7000112.4Q218 V219 Q220 Y344I216-Q218 VanDerWaalsContact C-N 3.28Å; I216-Q218 PolarHBondContact O-N 3.5Å; I216-V219 HydrophobicContact CD1-CB 4.19Å; I216-V219 HydrophobicContact CD1-CG1 4.41Å; I216-V219 HydrophobicContact CD1-CG2 4.38Å; I216-V219 WeakPolarHBondContact O-CB 3.47Å; I216-V219 PolarHBondContact O-N 3.08Å; I216-Q220 WeakPolarHBondContact O-CG 3.21Å; I216-Q220 PolarHBondContact O-N 2.78Å; I216-Y344 HydrophobicContact CB-CE2 4.15Å; I216-Y344 HydrophobicContact CD1-CD2 4.44Å; I216-Y344 HydrophobicContact CD1-CE1 4.32Å; I216-Y344 HydrophobicContact CD1-CE2 4.21Å
217E97.5Very high97.8Very high101 Ų10141.2 Ų41.247%0.47221%0.214SC..Hα-helixtrans-67.3-31.3175.4-58.985168.200111.8C215 R221C215-E217 VanDerWaalsContact C-N 3.26Å; C215-E217 WeakPolarHBondContact CB-OE2 3.11Å; C215-E217 PolarHBondContact O-N 3.37Å; E217-R221 WeakPolarHBondContact O-CG 3.46Å; E217-R221 PolarHBondContact O-N 3.21Å
218Q97.8Very high97.8Very high30 Ų3049.2 Ų49.214%0.1425%0.251CS..Hα-helixtrans-70.5-40.2173.4-64.8173.1-65.400110.6P188 W191 C215 I216 S222P188-Q218 PolarHBondContact O-NE2 3.02Å; W191-Q218 HydrophobicContact CH2-CG 4.14Å; W191-Q218 HydrophobicContact CZ3-CB 3.82Å; W191-Q218 HydrophobicContact CZ3-CG 3.87Å; C215-Q218 HydrophobicContact CB-CG 4.21Å; C215-Q218 VanDerWaalsContact N-OE1 3.1Å; C215-Q218 WeakPolarHBondContact O-CB 3.37Å; C215-Q218 PolarHBondContact O-N 3.01Å; C215-Q218 VanDerWaalsContact O-N 3.1Å; I216-Q218 VanDerWaalsContact C-N 3.28Å; I216-Q218 PolarHBondContact O-N 3.5Å; Q218-S222 WeakPolarHBondContact O-CB 3.12Å; Q218-S222 PolarHBondContact O-N 3Å; Q218-S222 PolarHBondContact O-OG 3.43Å
219V98.2Very high97.8Very high8 Ų848 Ų485%0.04825%0.251CS..Hα-helixtrans-59.3-50173.2176.50000110.4C215 I216 R221 S222 C223 T236 Y344C215-V219 PolarHBondContact O-N 2.84Å; I216-V219 HydrophobicContact CD1-CB 4.19Å; I216-V219 HydrophobicContact CD1-CG1 4.41Å; I216-V219 HydrophobicContact CD1-CG2 4.38Å; I216-V219 WeakPolarHBondContact O-CB 3.47Å; I216-V219 PolarHBondContact O-N 3.08Å; V219-R221 PolarHBondContact O-N 2.73Å; V219-S222 PolarHBondContact O-N 2.91Å; V219-S222 VanDerWaalsContact O-N 3.1Å; V219-C223 WeakPolarHBondContact O-CB 3.4Å; V219-C223 PolarHBondContact O-N 2.75Å; V219-C223 PolarHBondContact O-SG 3.24Å; V219-C223 VanDerWaalsContact O-SG 3.38Å; V219-T236 HydrophobicContact CG1-CG2 3.9Å; V219-Y344 VanDerWaalsContact CG2-CB 3.46Å; V219-Y344 HydrophobicContact CG2-CD2 3.86Å; V219-Y344 HydrophobicContact CG2-CG 3.84Å
220Q98.5Very high97.7Very high124 Ų12449.6 Ų49.658%0.57927%0.267SS*.Hα-helixtrans-54.9-49.1-179.4-74.2170.3-15.700112.2I216 S222 A224I216-Q220 WeakPolarHBondContact O-CG 3.21Å; I216-Q220 PolarHBondContact O-N 2.78Å; Q220-S222 VanDerWaalsContact C-N 3.34Å; Q220-S222 PolarHBondContact O-N 3.07Å; Q220-A224 WeakPolarHBondContact O-CB 3.2Å; Q220-A224 PolarHBondContact O-N 3.16Å
221R98.4Very high97.6Very high135 Ų13549.7 Ų49.751%0.50927%0.268SS..Hα-helixtrans-64.1-39.1177.5-69.5-178.6-171.3129.53.8112.5W191 E217 V219 A224 A225W191-R221 HydrophobicContact CB-CB 4.37Å; W191-R221 HydrophobicContact CD2-CB 3.72Å; W191-R221 HydrophobicContact CE3-CB 3.67Å; W191-R221 HydrophobicContact CG-CB 4.04Å; W191-R221 HydrophobicContact CZ3-CB 4.24Å; E217-R221 WeakPolarHBondContact O-CG 3.46Å; E217-R221 PolarHBondContact O-N 3.21Å; V219-R221 PolarHBondContact O-N 2.73Å; R221-A224 PolarHBondContact O-N 3Å; R221-A225 WeakPolarHBondContact O-CB 3.29Å; R221-A225 PolarHBondContact O-N 2.99Å
222S98.5Very high97.6Very high0 Ų056.4 Ų56.40%029%0.293CS..Hα-helixtrans-67.8-44.5179.6-570000111.9P190 Q218 V219 Q220 A224 A225 L226P190-S222 WeakPolarHBondContact CG-OG 3.5Å; Q218-S222 WeakPolarHBondContact O-CB 3.12Å; Q218-S222 PolarHBondContact O-N 3Å; Q218-S222 PolarHBondContact O-OG 3.43Å; V219-S222 PolarHBondContact O-N 2.91Å; V219-S222 VanDerWaalsContact O-N 3.1Å; Q220-S222 VanDerWaalsContact C-N 3.34Å; Q220-S222 PolarHBondContact O-N 3.07Å; S222-A224 VanDerWaalsContact C-N 3.35Å; S222-A224 PolarHBondContact O-N 3.42Å; S222-A225 PolarHBondContact O-N 3.26Å; S222-L226 WeakPolarHBondContact O-CB 3.42Å; S222-L226 VanDerWaalsContact O-CG 3.26Å; S222-L226 WeakPolarHBondContact O-CG 3.37Å; S222-L226 PolarHBondContact O-N 3.34Å
223C98.6Very high97.5Very high30 Ų3062.4 Ų62.420%0.20332%0.321CS..Hα-helixtrans-62.5-40.6175.7-69.80000112V219 L226 L227 I234V219-C223 WeakPolarHBondContact O-CB 3.4Å; V219-C223 PolarHBondContact O-N 2.75Å; V219-C223 PolarHBondContact O-SG 3.24Å; V219-C223 VanDerWaalsContact O-SG 3.38Å; C223-L226 PolarHBondContact O-N 2.96Å; C223-L227 WeakPolarHBondContact O-CB 3.44Å; C223-L227 PolarHBondContact O-N 3.08Å; C223-I234 HydrophobicContact CB-CG2 4.35Å
224A98.5Very high97.6Very high43 Ų4365 Ų6536%0.35533%0.334SS..Hα-helixtrans-60.5-51.1173.900000111.4Q220 R221 S222 L226 L227 E228Q220-A224 WeakPolarHBondContact O-CB 3.2Å; Q220-A224 PolarHBondContact O-N 3.16Å; R221-A224 PolarHBondContact O-N 3Å; S222-A224 VanDerWaalsContact C-N 3.35Å; S222-A224 PolarHBondContact O-N 3.42Å; A224-L226 VanDerWaalsContact C-N 3.34Å; A224-L226 PolarHBondContact O-N 3.13Å; A224-L227 PolarHBondContact O-N 3.16Å; A224-E228 WeakPolarHBondContact O-CB 3.44Å; A224-E228 WeakPolarHBondContact O-CG 3.39Å; A224-E228 PolarHBondContact O-N 3.12Å
225A98.5Very high97.7Very high9 Ų964.5 Ų64.57%0.07433%0.332CS..Hα-helixtrans-62-38178.400000112.8W191 I194 R221 S222 S229W191-A225 HydrophobicContact CB-CB 3.85Å; I194-A225 HydrophobicContact CB-CB 4.18Å; I194-A225 HydrophobicContact CD1-CB 4.18Å; I194-A225 HydrophobicContact CG2-CB 4.06Å; R221-A225 WeakPolarHBondContact O-CB 3.29Å; R221-A225 PolarHBondContact O-N 2.99Å; S222-A225 PolarHBondContact O-N 3.26Å; A225-S229 VanDerWaalsContact O-CB 3.23Å; A225-S229 WeakPolarHBondContact O-CB 3.2Å; A225-S229 PolarHBondContact O-N 3.14Å; A225-S229 PolarHBondContact O-OG 3.49Å
226L98.5Very high97.8Very high0 Ų064.2 Ų64.20%033%0.329CS..Hα-helixtrans-61.4-47.7174.8-78.5167.2000111.3I194 L211 S222 C223 A224 S229 G230 F231 I234 T346 A348I194-L226 HydrophobicContact CD1-CD2 4.34Å; I194-L226 HydrophobicContact CD1-CG 3.97Å; I194-L226 HydrophobicContact CG1-CD2 4.39Å; I194-L226 HydrophobicContact CG2-CB 4.44Å; I194-L226 HydrophobicContact CG2-CD2 3.79Å; I194-L226 HydrophobicContact CG2-CG 4.02Å; L211-L226 HydrophobicContact CD1-CD1 3.74Å; L211-L226 HydrophobicContact CD1-CD2 4.39Å; L211-L226 HydrophobicContact CD1-CG 4.45Å; S222-L226 WeakPolarHBondContact O-CB 3.42Å; S222-L226 VanDerWaalsContact O-CG 3.26Å; S222-L226 WeakPolarHBondContact O-CG 3.37Å; S222-L226 PolarHBondContact O-N 3.34Å; C223-L226 PolarHBondContact O-N 2.96Å; A224-L226 VanDerWaalsContact C-N 3.34Å; A224-L226 PolarHBondContact O-N 3.13Å; L226-S229 PolarHBondContact O-N 3.02Å; L226-G230 PolarHBondContact O-N 3.48Å; L226-F231 HydrophobicContact CB-CB 4.16Å; L226-F231 HydrophobicContact CD2-CB 4.01Å; L226-F231 HydrophobicContact CD2-CD1 4.05Å; L226-F231 HydrophobicContact CD2-CD2 3.71Å; L226-F231 HydrophobicContact CD2-CE2 4.19Å; L226-F231 HydrophobicContact CD2-CG 3.64Å; L226-F231 WeakPolarHBondContact O-CB 3.45Å; L226-F231 PolarHBondContact O-N 3.01Å; L226-I234 HydrophobicContact CB-CD1 3.63Å; L226-I234 HydrophobicContact CB-CG1 4.22Å; L226-I234 HydrophobicContact CD1-CG1 4.47Å; L226-I234 HydrophobicContact CD1-CG2 4.17Å; L226-T346 HydrophobicContact CD1-CG2 4.08Å; L226-A348 HydrophobicContact CD1-CB 3.85Å; L226-A348 HydrophobicContact CD2-CB 3.73Å; L226-A348 HydrophobicContact CG-CB 4.34Å
227L97.7Very high97.9Very high110 Ų11063.4 Ų63.458%0.57633%0.327SS*.Hα-helixtrans-63.8-46.3-179.8-17763.6000111.4C223 A224 S229 G230 I234C223-L227 WeakPolarHBondContact O-CB 3.44Å; C223-L227 PolarHBondContact O-N 3.08Å; A224-L227 PolarHBondContact O-N 3.16Å; L227-S229 VanDerWaalsContact C-N 3.26Å; L227-S229 PolarHBondContact O-N 3.31Å; L227-G230 PolarHBondContact O-N 3.3Å; L227-G230 VanDerWaalsContact O-N 3.12Å; L227-I234 HydrophobicContact CB-CD1 4.02Å
228E97.9Very high97.8Very high167 Ų16762.5 Ų62.578%0.7832%0.323SS*.Hα-helixtrans-61.4-34.9176.5-72.9171.4-172.200112.2A224 G230A224-E228 WeakPolarHBondContact O-CB 3.44Å; A224-E228 WeakPolarHBondContact O-CG 3.39Å; A224-E228 PolarHBondContact O-N 3.12Å; E228-G230 VanDerWaalsContact C-N 3.25Å; E228-G230 PolarHBondContact O-N 2.99Å
229S97.2Very high97.5Very high31 Ų3162.3 Ų62.322%0.21732%0.324CS..THydrogen-bonded Turntrans-80.1-3178.4-540000113.4P195 A225 L226 L227 W350P195-S229 WeakPolarHBondContact CA-OG 3.34Å; A225-S229 VanDerWaalsContact O-CB 3.23Å; A225-S229 WeakPolarHBondContact O-CB 3.2Å; A225-S229 PolarHBondContact O-N 3.14Å; A225-S229 PolarHBondContact O-OG 3.49Å; L226-S229 PolarHBondContact O-N 3.02Å; L227-S229 VanDerWaalsContact C-N 3.26Å; L227-S229 PolarHBondContact O-N 3.31Å; S229-W350 WeakPolarHBondContact O-CZ3 3.42Å
230G96.3Very high97.1Very high33 Ų3367.1 Ų67.134%0.3435%0.349SS..THydrogen-bonded Turntrans91.6817600000115.8L226 L227 E228L226-G230 PolarHBondContact O-N 3.48Å; L227-G230 PolarHBondContact O-N 3.3Å; L227-G230 VanDerWaalsContact O-N 3.12Å; E228-G230 VanDerWaalsContact C-N 3.25Å; E228-G230 PolarHBondContact O-N 2.99Å
231F97.7Very high96.6Very high2 Ų265 Ų651%0.00934%0.34CS..  trans-65.3148.1174.3-74.8-96.5000111.7I194 L197 L201 V209 L226 A348 W350I194-F231 HydrophobicContact CG2-CE2 4.37Å; L197-F231 HydrophobicContact CB-CE2 4.25Å; L197-F231 HydrophobicContact CB-CZ 3.73Å; L197-F231 HydrophobicContact CD1-CZ 4.23Å; L201-F231 HydrophobicContact CD1-CE1 4.15Å; L201-F231 HydrophobicContact CD1-CZ 4.24Å; V209-F231 HydrophobicContact CB-CE1 4.23Å; V209-F231 HydrophobicContact CG2-CD1 4.35Å; V209-F231 HydrophobicContact CG2-CE1 3.46Å; V209-F231 VanDerWaalsContact CG2-CE1 3.46Å; V209-F231 HydrophobicContact CG2-CZ 4.01Å; L226-F231 HydrophobicContact CB-CB 4.16Å; L226-F231 HydrophobicContact CD2-CB 4.01Å; L226-F231 HydrophobicContact CD2-CD1 4.05Å; L226-F231 HydrophobicContact CD2-CD2 3.71Å; L226-F231 HydrophobicContact CD2-CE2 4.19Å; L226-F231 HydrophobicContact CD2-CG 3.64Å; L226-F231 WeakPolarHBondContact O-CB 3.45Å; L226-F231 PolarHBondContact O-N 3.01Å; F231-A348 HydrophobicContact CB-CB 4.12Å; F231-A348 HydrophobicContact CD1-CB 4.01Å; F231-A348 HydrophobicContact CG-CB 4.35Å; F231-W350 HydrophobicContact CD1-CB 4.16Å; F231-W350 HydrophobicContact CD1-CE3 4.22Å; F231-W350 HydrophobicContact CD2-CE3 4.14Å; F231-W350 HydrophobicContact CD2-CZ3 4.41Å; F231-W350 HydrophobicContact CE1-CB 3.72Å; F231-W350 AromaticContact CE1-CE3 3.99Å; F231-W350 HydrophobicContact CE1-CE3 3.99Å; F231-W350 HydrophobicContact CE1-CG 4.46Å; F231-W350 AromaticContact CE2-CE3 3.91Å; F231-W350 HydrophobicContact CE2-CE3 3.91Å; F231-W350 HydrophobicContact CE2-CZ3 4.22Å; F231-W350 HydrophobicContact CG-CE3 4.28Å; F231-W350 HydrophobicContact CZ-CB 4.44Å; F231-W350 HydrophobicContact CZ-CD2 4.48Å; F231-W350 AromaticContact CZ-CE3 3.81Å; F231-W350 HydrophobicContact CZ-CE3 3.81Å
232R97.1Very high96.1Very high142 Ų14264.9 Ų64.954%0.53634%0.339SS..EExtended strand (participates in β ladder)trans-116.8168.7-179.8-55.4-57.2-177.7-179.50.7110.9I234 T349 I351R232-I234 VanDerWaalsContact C-N 3.27Å; R232-I234 PolarHBondContact O-N 3.47Å; R232-T349 PolarHBondContact N-O 2.69Å; R232-T349 WeakPolarHBondContact O-CB 3.08Å; R232-T349 PolarHBondContact O-N 3.35Å; R232-I351 HydrophobicContact CB-CD1 4.14Å; R232-I351 HydrophobicContact CG-CD1 4Å; R232-I351 HydrophobicContact CG-CG1 4.46Å
233H96.3Very high95.5Very high141 Ų14167.8 Ų67.865%0.65335%0.353SS*.EExtended strand (participates in β ladder)trans50.445.3177.7-55.5-76.6000113.4S235H233-S235 PolarHBondContact O-N 3.3Å
234I98.2Very high95Very high56 Ų5672.7 Ų72.729%0.28737%0.368SS..EExtended strand (participates in β ladder)trans-70.8121.6177.6-56.3169.2000108.1C223 L226 L227 R232 T346 F347 A348C223-I234 HydrophobicContact CB-CG2 4.35Å; L226-I234 HydrophobicContact CB-CD1 3.63Å; L226-I234 HydrophobicContact CB-CG1 4.22Å; L226-I234 HydrophobicContact CD1-CG1 4.47Å; L226-I234 HydrophobicContact CD1-CG2 4.17Å; L227-I234 HydrophobicContact CB-CD1 4.02Å; R232-I234 VanDerWaalsContact C-N 3.27Å; R232-I234 PolarHBondContact O-N 3.47Å; I234-T346 HydrophobicContact CG2-CG2 4.03Å; I234-F347 CarbonylContact C-O 3.53Å; I234-F347 VanDerWaalsContact CA-O 3.3Å; I234-F347 WeakPolarHBondContact CA-O 3.33Å; I234-A348 HydrophobicContact CG1-CB 4.2Å
235S98.2Very high94.3Very high61 Ų6174.3 Ų74.343%0.42737%0.371SS..EExtended strand (participates in β ladder)trans-140.9129.3-178.5-176.80000110.3H233 T346 F347H233-S235 PolarHBondContact O-N 3.3Å; S235-T346 CarbonylContact O-C 3.58Å; S235-T346 WeakPolarHBondContact O-CA 3.41Å; S235-F347 PolarHBondContact N-O 3.18Å; S235-F347 PolarHBondContact O-N 3.42Å
236T98.4Very high93.7Very high55 Ų5578.8 Ų78.834%0.33740%0.397SS..EExtended strand (participates in β ladder)trans-111132.7176.2-57.10000110.4V219 Y344 I345 T346V219-T236 HydrophobicContact CG1-CG2 3.9Å; T236-Y344 HydrophobicContact CG2-CD1 4.37Å; T236-Y344 HydrophobicContact CG2-CG 4.5Å; T236-I345 CarbonylContact C-O 3.56Å; T236-I345 WeakPolarHBondContact CA-O 3.13Å; T236-T346 PolarHBondContact OG1-OG1 3.32Å
237V97.2Very high92.9Very high54 Ų5481.1 Ų81.133%0.32741%0.413SS..EExtended strand (participates in β ladder)trans-135.1165.3179.3-60.20000110.9L93 I345 F347L93-V237 HydrophobicContact CD2-CG2 3.91Å; V237-I345 HydrophobicContact CG2-CB 4.11Å; V237-I345 PolarHBondContact N-O 2.77Å; V237-I345 PolarHBondContact O-N 3.47Å; V237-F347 HydrophobicContact CG2-CD2 4.36Å; V237-F347 HydrophobicContact CG2-CE2 3.89Å
238E95.6Very high92.1Very high81 Ų8182 Ų8238%0.37941%0.409SS..  trans-131.7129.7172.4178.8-179.9-157.800107.4L240 Y344E238-L240 HydrophobicContact CG-CD2 3.94Å; E238-L240 HydrophobicContact CG-CG 4.12Å; E238-L240 WeakPolarHBondContact OE1-CD2 3.28Å; E238-Y344 HydrophobicContact CB-CD1 4.47Å
239C92.5Very high90.8Very high26 Ų2676.1 Ų76.118%0.17638%0.384CS..  trans-89.2125.9166.81740000109C89 D90 L93C89-C239 HydrophobicContact CB-CB 4.4Å; C89-C239 WeakPolarHBondContact CB-SG 3.34Å; C89-C239 WeakPolarHBondContact SG-CB 3.43Å; C89-C239 CovalentContact SG-SG 2.08Å; C89-C239 PolarHBondContact SG-SG 3.22Å; D90-C239 WeakPolarHBondContact OD1-CB 3.5Å; L93-C239 HydrophobicContact CD2-CB 4.2Å
240L90.4Very high89.4Confident109 Ų10978.9 Ų78.957%0.57140%0.4SS*.  trans-114.294.8172.4-65.1179.2000110.1E238E238-L240 HydrophobicContact CG-CD2 3.94Å; E238-L240 HydrophobicContact CG-CG 4.12Å; E238-L240 WeakPolarHBondContact OE1-CD2 3.28Å
241E87.3Confident87.9Confident80 Ų8082.6 Ų82.637%0.37441%0.411SS..  trans-73.2140.1176-175.6165-15800111.9C89 M338C89-E241 HydrophobicContact CB-CB 4.43Å; E241-M338 VanDerWaalsContact O-SD 3.33Å
242R87.2Confident86.4Confident132 Ų13289.1 Ų89.150%0.49845%0.446SS..  trans-137.8110.3177.8-63.6-64.2-176.3172-0.8109.8Y244 L334 M338R242-Y244 HydrophobicContact CB-CE2 3.81Å; R242-L334 HydrophobicContact CB-CD1 4.09Å; R242-M338 VanDerWaalsContact CD-SD 3.52Å
243E85.4Confident84.7Confident62 Ų6286.4 Ų86.429%0.2945%0.445SS..  trans-90138.3174.4-68.5-178.6-157.500111.4L334 Q335E243-L334 WeakPolarHBondContact O-CD1 3.48Å; E243-Q335 HydrophobicContact CB-CB 4.13Å; E243-Q335 HydrophobicContact CB-CG 4.2Å; E243-Q335 PolarHBondContact O-N 2.98Å
244Y88.4Confident83.1Confident133 Ų13384.1 Ų84.152%0.52244%0.443SS..EExtended strand (participates in β ladder)trans-123.2125.7177.4-64-92.8000110.4R242 P332 I333 L334R242-Y244 HydrophobicContact CB-CE2 3.81Å; Y244-P332 HydrophobicContact CD1-CB 3.92Å; Y244-P332 HydrophobicContact CG-CB 4.23Å; Y244-I333 CarbonylContact C-O 3.36Å; Y244-I333 WeakPolarHBondContact CA-O 3.37Å; Y244-L334 HydrophobicContact CD1-CB 4.15Å; Y244-L334 HydrophobicContact CD1-CD1 4.23Å; Y244-L334 HydrophobicContact CE1-CB 3.98Å; Y244-L334 HydrophobicContact CE1-CD1 3.79Å; Y244-L334 HydrophobicContact CE1-CG 4.49Å; Y244-L334 HydrophobicContact CE2-CD1 4.35Å
245D84.7Confident81.4Confident77 Ų7787.2 Ų87.241%0.41246%0.46SS..EExtended strand (participates in β ladder)trans-78.9134.6165-74.9-29.9000109.5S247 I333 Q335D245-S247 PolarHBondContact O-N 3.39Å; D245-I333 PolarHBondContact N-O 3.06Å; D245-I333 PolarHBondContact O-N 2.62Å; D245-Q335 VanDerWaalsContact CG-NE2 3.31Å; D245-Q335 PolarHBondContact OD1-NE2 2.97Å; D245-Q335 WeakPolarHBondContact OD2-CG 3.45Å; D245-Q335 PolarHBondContact OD2-NE2 2.79Å
246V85.7Confident80Confident103 Ų10391.7 Ų91.762%0.62448%0.476SS*.EExtended strand (participates in β ladder)trans-90.4107.1174.7179.60000108.3W330V246-W330 HydrophobicContact CG1-CB 4.28Å; V246-W330 HydrophobicContact CG1-CD2 4.1Å; V246-W330 HydrophobicContact CG1-CE3 3.47Å; V246-W330 VanDerWaalsContact CG1-CE3 3.47Å; V246-W330 HydrophobicContact CG1-CG 4.47Å; V246-W330 HydrophobicContact CG1-CZ3 4.05Å
247S82Confident78.2Confident49 Ų4991.5 Ų91.534%0.34349%0.485SS..EExtended strand (participates in β ladder)trans-111.9145.6178.8-172.80000111.5D245 E331D245-S247 PolarHBondContact O-N 3.39Å; S247-E331 PolarHBondContact N-O 3.08Å; S247-E331 VanDerWaalsContact N-O 3.13Å; S247-E331 PolarHBondContact O-N 3.5Å
248R80.6Confident76.4Confident129 Ų12993.5 Ų93.549%0.48749%0.49SS..EExtended strand (participates in β ladder)trans-77.3123.5169.1-173.8176.9-178.9-166.5-1.9108.4F328 W330R248-F328 HydrophobicContact CG-CB 3.91Å; R248-F328 HydrophobicContact CG-CD2 3.83Å; R248-F328 HydrophobicContact CG-CG 4.12Å; R248-F328 VanDerWaalsContact NE-CD2 3.32Å; R248-W330 HydrophobicContact CB-CE3 4.27Å; R248-W330 HydrophobicContact CB-CH2 4.42Å; R248-W330 HydrophobicContact CB-CZ3 4.04Å
249T70.3Confident74.3Confident42 Ų4296.1 Ų96.126%0.25851%0.506SS..EExtended strand (participates in β ladder)trans-119.8150.2172.1-163.20000109.9F328 T329 E331T249-F328 WeakPolarHBondContact O-CA 3.22Å; T249-F328 WeakPolarHBondContact O-CB 3.45Å; T249-T329 HydrophobicContact CG2-CG2 3.61Å; T249-T329 PolarHBondContact N-O 2.91Å; T249-T329 VanDerWaalsContact N-O 3.08Å; T249-T329 PolarHBondContact O-N 3.11Å; T249-T329 VanDerWaalsContact O-N 3.14Å; T249-E331 HydrophobicContact CG2-CB 3.76Å; T249-E331 WeakPolarHBondContact CG2-OE2 3.44Å
250T67.8Low72.4Confident90 Ų9095.5 Ų95.555%0.55250%0.502SS*.EExtended strand (participates in β ladder)trans-97124.2170.7-58.10000107.3N252T250-N252 PolarHBondContact O-N 3.39Å
251L65.1Low70.6Confident111 Ų11191.5 Ų91.558%0.58149%0.485SS*.  trans-70.8103.3173.2-70.5174.3000107.7V253 T329L251-V253 PolarHBondContact O-N 2.84Å; L251-T329 HydrophobicContact CD1-CG2 4.03Å; L251-T329 HydrophobicContact CD2-CG2 3.89Å; L251-T329 HydrophobicContact CG-CG2 3.8Å
252N66.4Low69.1Low139 Ų13991 Ų9174%0.74349%0.49SS*.PPolyproline II helixtrans-66.5121.3172-67-40.3000108T250 P254T250-N252 PolarHBondContact O-N 3.39Å; N252-P254 VanDerWaalsContact O-CD 3.25Å; N252-P254 WeakPolarHBondContact O-CD 3.37Å; N252-P254 VanDerWaalsContact O-N 3.15Å
253V61.9Low67.8Low84 Ų8487.1 Ų87.151%0.50948%0.479SS..PPolyproline II helixtrans-57.9118.6169.2-179.50000107.6L251 N255 W264L251-V253 PolarHBondContact O-N 2.84Å; V253-N255 PolarHBondContact O-N 3.5Å; V253-N255 VanDerWaalsContact O-N 3.16Å; V253-W264 HydrophobicContact CG2-CE3 4.16Å; V253-W264 HydrophobicContact CG2-CH2 4.35Å; V253-W264 HydrophobicContact CG2-CZ3 3.58Å
254P62.3Low66.4Low93 Ų9388.1 Ų88.160%0.60448%0.48SS*.PPolyproline II helixtrans-58.9123.2177.5-21.432.2000109.2N252 M256N252-P254 VanDerWaalsContact O-CD 3.25Å; N252-P254 WeakPolarHBondContact O-CD 3.37Å; N252-P254 VanDerWaalsContact O-N 3.15Å; P254-M256 HydrophobicContact CB-CG 4.39Å; P254-M256 HydrophobicContact CB-SD 4.31Å; P254-M256 PolarHBondContact O-N 3.07Å
255N62.6Low64.8Low121 Ų12187.4 Ų87.465%0.64749%0.485SS*.  trans-7398172-176.1-16.3000108.6V253 G257V253-N255 PolarHBondContact O-N 3.5Å; V253-N255 VanDerWaalsContact O-N 3.16Å; N255-G257 PolarHBondContact O-N 2.89Å; N255-G257 PolarHBondContact OD1-N 2.73Å
256M68.8Low63.6Low156 Ų15691.1 Ų91.177%0.76850%0.5SS*.  trans-84.424.5179.2-62.4-67.3-75.800113P254P254-M256 HydrophobicContact CB-CG 4.39Å; P254-M256 HydrophobicContact CB-SD 4.31Å; P254-M256 PolarHBondContact O-N 3.07Å
257G59.7Low62.6Low50 Ų5088.1 Ų88.152%0.51548%0.484SS..SBendtrans86.518.2177.600000115.3N255N255-G257 PolarHBondContact O-N 2.89Å; N255-G257 PolarHBondContact OD1-N 2.73Å
258Q60.4Low61.7Low96 Ų9687.3 Ų87.345%0.44948%0.483SS..  trans-83.8119.3179.1-71.6157.2-27.300110.8S260 A261 Y272Q258-S260 PolarHBondContact O-N 3.38Å; Q258-A261 PolarHBondContact O-N 2.94Å; Q258-Y272 PolarHBondContact NE2-OH 2.89Å; Q258-Y272 PolarHBondContact OE1-OH 3.2Å
259L51.8Low60.9Low136 Ų13686.9 Ų86.971%0.71249%0.485SS*.THydrogen-bonded Turntrans-66.248.2172.5-89.7163.5000112.6L284L259-L284 HydrophobicContact CD1-CD1 3.47Å; L259-L284 VanDerWaalsContact CD1-CD1 3.47Å; L259-L284 HydrophobicContact CD1-CD2 4.05Å; L259-L284 HydrophobicContact CD1-CG 3.65Å; L259-L284 HydrophobicContact CD2-CD1 3.93Å; L259-L284 HydrophobicContact CG-CD1 3.48Å; L259-L284 VanDerWaalsContact CG-CD1 3.48Å; L259-L284 HydrophobicContact CG-CG 4.18Å
260S52.7Low60.6Low13 Ų1390.9 Ų90.99%0.09150%0.504CS..THydrogen-bonded Turntrans177.912.2176.249.30000113.6Q258 S262 I263 Y272 S275Q258-S260 PolarHBondContact O-N 3.38Å; S260-S262 PolarHBondContact O-N 3.18Å; S260-I263 WeakPolarHBondContact O-CA 3.08Å; S260-I263 WeakPolarHBondContact O-CB 3.49Å; S260-I263 PolarHBondContact O-N 3.38Å; S260-Y272 WeakPolarHBondContact OG-CE2 3.45Å; S260-S275 PolarHBondContact OG-OG 2.85Å
261A51.6Low60.5Low26 Ų2692 Ų9222%0.21550%0.503CS..Hα-helixtrans-56.6-27-179.400000113.1Q258 I263 W264Q258-A261 PolarHBondContact O-N 2.94Å; A261-I263 VanDerWaalsContact C-N 3.33Å; A261-I263 PolarHBondContact O-N 2.8Å; A261-W264 WeakPolarHBondContact O-CB 3.33Å; A261-W264 PolarHBondContact O-N 2.66Å
262S56.5Low60.3Low68 Ų6887.8 Ų87.848%0.47648%0.48SS..Hα-helixtrans-66.6-29.6171.556.40000114S260 W264 L265 Q266S260-S262 PolarHBondContact O-N 3.18Å; S262-W264 VanDerWaalsContact C-N 3.28Å; S262-W264 PolarHBondContact O-N 3.1Å; S262-L265 PolarHBondContact O-N 2.94Å; S262-Q266 WeakPolarHBondContact O-CG 3.46Å; S262-Q266 PolarHBondContact O-N 2.9Å
263I59.6Low60.1Low52 Ų5285.6 Ų85.627%0.26747%0.466SS..Hα-helixtrans-65.1-35.8175.4-57.6-174.8000109.7S260 A261 L265 Q266 S267 E271S260-I263 WeakPolarHBondContact O-CA 3.08Å; S260-I263 WeakPolarHBondContact O-CB 3.49Å; S260-I263 PolarHBondContact O-N 3.38Å; A261-I263 VanDerWaalsContact C-N 3.33Å; A261-I263 PolarHBondContact O-N 2.8Å; I263-L265 VanDerWaalsContact C-N 3.33Å; I263-L265 PolarHBondContact O-N 2.7Å; I263-Q266 PolarHBondContact O-N 3.47Å; I263-S267 WeakPolarHBondContact CA-OG 3.27Å; I263-S267 VanDerWaalsContact CG2-OG 3.27Å; I263-S267 WeakPolarHBondContact CG2-OG 3.49Å; I263-S267 WeakPolarHBondContact O-CA 3.33Å; I263-S267 WeakPolarHBondContact O-CB 3.45Å; I263-S267 PolarHBondContact O-N 3.38Å; I263-S267 PolarHBondContact O-OG 3Å; I263-E271 HydrophobicContact CG2-CB 4.35Å
264W56.4Low60.2Low82 Ų8286.2 Ų86.231%0.31147%0.466SS..Hα-helixtrans-61.4-43.4174.7-170.875.2000111.8V253 A261 S262 G268 F269 Y272V253-W264 HydrophobicContact CG2-CE3 4.16Å; V253-W264 HydrophobicContact CG2-CH2 4.35Å; V253-W264 HydrophobicContact CG2-CZ3 3.58Å; A261-W264 WeakPolarHBondContact O-CB 3.33Å; A261-W264 PolarHBondContact O-N 2.66Å; S262-W264 VanDerWaalsContact C-N 3.28Å; S262-W264 PolarHBondContact O-N 3.1Å; W264-G268 WeakPolarHBondContact O-CA 3.5Å; W264-G268 PolarHBondContact O-N 3.36Å; W264-G268 VanDerWaalsContact O-N 3.08Å; W264-F269 AromaticContact CD1-CD2 3.93Å; W264-F269 AromaticContact NE1-CD2 3.5Å; W264-Y272 HydrophobicContact CB-CD2 4.14Å; W264-Y272 HydrophobicContact CB-CG 4.01Å; W264-Y272 HydrophobicContact CG-CG 4.44Å
265L54.7Low60.1Low119 Ų11983.2 Ų83.262%0.62345%0.448SS*.Hα-helixtrans-70.7-36.2179.3-72168.6000113.8S262 I263S262-L265 PolarHBondContact O-N 2.94Å; I263-L265 VanDerWaalsContact C-N 3.33Å; I263-L265 PolarHBondContact O-N 2.7Å
266Q58.5Low59.9Low154 Ų15480.4 Ų80.472%0.7244%0.435SS*.Hα-helixtrans-86.9-31.6-175.3-72.5177.4-14.700113.5S262 I263S262-Q266 WeakPolarHBondContact O-CG 3.46Å; S262-Q266 PolarHBondContact O-N 2.9Å; I263-Q266 PolarHBondContact O-N 3.47Å
267S64.9Low59.3Low41 Ų4177.3 Ų77.329%0.28743%0.428SS..Hα-helixtrans-132.1-4.2-159.311.30000112.5I263 E271I263-S267 WeakPolarHBondContact CA-OG 3.27Å; I263-S267 VanDerWaalsContact CG2-OG 3.27Å; I263-S267 WeakPolarHBondContact CG2-OG 3.49Å; I263-S267 WeakPolarHBondContact O-CA 3.33Å; I263-S267 WeakPolarHBondContact O-CB 3.45Å; I263-S267 PolarHBondContact O-N 3.38Å; I263-S267 PolarHBondContact O-OG 3Å; S267-E271 WeakPolarHBondContact CA-OE2 3.47Å; S267-E271 WeakPolarHBondContact CB-OE2 3.37Å
268G62.4Low59Low31 Ų3183.9 Ų83.932%0.3244%0.443SS..Hα-helixtrans81.5172.1176.200000114.3W264 N270 E271 Y272W264-G268 WeakPolarHBondContact O-CA 3.5Å; W264-G268 PolarHBondContact O-N 3.36Å; W264-G268 VanDerWaalsContact O-N 3.08Å; G268-N270 VanDerWaalsContact C-N 3.34Å; G268-N270 PolarHBondContact O-N 2.79Å; G268-E271 PolarHBondContact O-N 2.75Å; G268-Y272 PolarHBondContact O-N 2.86Å
269F64.3Low58.4Low121 Ų12182.9 Ų82.953%0.53145%0.447SS..Hα-helixtrans-59.9-38.6-170.7-177.7-103000114.2W264 Y272 M273W264-F269 AromaticContact CD1-CD2 3.93Å; W264-F269 AromaticContact NE1-CD2 3.5Å; F269-Y272 PolarHBondContact O-N 2.99Å; F269-M273 HydrophobicContact CD1-CG 4.26Å; F269-M273 HydrophobicContact CD2-CG 4.48Å; F269-M273 HydrophobicContact CE1-CG 3.81Å; F269-M273 HydrophobicContact CE2-CG 4.07Å; F269-M273 HydrophobicContact CE2-SD 4.34Å; F269-M273 HydrophobicContact CZ-CG 3.71Å; F269-M273 HydrophobicContact CZ-SD 4.07Å; F269-M273 WeakPolarHBondContact O-CG 3.4Å; F269-M273 PolarHBondContact O-N 3.47Å
270N65Low58Low125 Ų12583.6 Ų83.667%0.66845%0.451SS*.Hα-helixtrans-67.5-40.7-177.2-73-22.9000112.5G268 N274G268-N270 VanDerWaalsContact C-N 3.34Å; G268-N270 PolarHBondContact O-N 2.79Å; N270-N274 WeakPolarHBondContact O-CB 3.43Å; N270-N274 VanDerWaalsContact O-CG 3.32Å; N270-N274 PolarHBondContact O-N 2.78Å; N270-N274 PolarHBondContact O-ND2 2.98Å
271E64.4Low57.4Low113 Ų11392.7 Ų92.753%0.52849%0.489SS..Hα-helixtrans-72-35.6176.9-84.5-175.6129.200112I263 S267 G268 N274 S275I263-E271 HydrophobicContact CG2-CB 4.35Å; S267-E271 WeakPolarHBondContact CA-OE2 3.47Å; S267-E271 WeakPolarHBondContact CB-OE2 3.37Å; G268-E271 PolarHBondContact O-N 2.75Å; E271-N274 PolarHBondContact O-N 2.84Å; E271-S275 PolarHBondContact O-N 3.25Å
272Y61.9Low56.9Low24 Ų2499.1 Ų99.19%0.09451%0.514CS..Hα-helixtrans-57.3-52.6170.6170.8-106000111.4Q258 S260 W264 G268 F269 N274 S275 V276Q258-Y272 PolarHBondContact NE2-OH 2.89Å; Q258-Y272 PolarHBondContact OE1-OH 3.2Å; S260-Y272 WeakPolarHBondContact OG-CE2 3.45Å; W264-Y272 HydrophobicContact CB-CD2 4.14Å; W264-Y272 HydrophobicContact CB-CG 4.01Å; W264-Y272 HydrophobicContact CG-CG 4.44Å; G268-Y272 PolarHBondContact O-N 2.86Å; F269-Y272 PolarHBondContact O-N 2.99Å; Y272-N274 VanDerWaalsContact C-N 3.27Å; Y272-N274 PolarHBondContact O-N 3.48Å; Y272-S275 WeakPolarHBondContact O-CB 3.17Å; Y272-S275 PolarHBondContact O-N 3.45Å; Y272-S275 PolarHBondContact O-OG 3.41Å; Y272-V276 HydrophobicContact CD2-CG2 4.09Å; Y272-V276 HydrophobicContact CE1-CG2 4.07Å; Y272-V276 HydrophobicContact CE2-CG2 3.6Å; Y272-V276 WeakPolarHBondContact O-CG2 3.31Å; Y272-V276 PolarHBondContact O-N 3.37Å
273M61.4Low56.2Low93 Ų93104.2 Ų104.246%0.45854%0.535SS..Hα-helixtrans-61.6-34.6179.1-72.4-63.1-69.700112.7F269 S277F269-M273 HydrophobicContact CD1-CG 4.26Å; F269-M273 HydrophobicContact CD2-CG 4.48Å; F269-M273 HydrophobicContact CE1-CG 3.81Å; F269-M273 HydrophobicContact CE2-CG 4.07Å; F269-M273 HydrophobicContact CE2-SD 4.34Å; F269-M273 HydrophobicContact CZ-CG 3.71Å; F269-M273 HydrophobicContact CZ-SD 4.07Å; F269-M273 WeakPolarHBondContact O-CG 3.4Å; F269-M273 PolarHBondContact O-N 3.47Å; M273-S277 WeakPolarHBondContact O-CB 3.38Å; M273-S277 PolarHBondContact O-N 3.31Å; M273-S277 PolarHBondContact O-OG 2.91Å
274N64.3Low55.5Low96 Ų96106.6 Ų106.651%0.51355%0.548SS..Hα-helixtrans-69.9-31.1174-77-24.6000113.5N270 E271 Y272 S277N270-N274 WeakPolarHBondContact O-CB 3.43Å; N270-N274 VanDerWaalsContact O-CG 3.32Å; N270-N274 PolarHBondContact O-N 2.78Å; N270-N274 PolarHBondContact O-ND2 2.98Å; E271-N274 PolarHBondContact O-N 2.84Å; Y272-N274 VanDerWaalsContact C-N 3.27Å; Y272-N274 PolarHBondContact O-N 3.48Å; N274-S277 PolarHBondContact O-OG 3.03Å; N274-S277 VanDerWaalsContact O-OG 3.12Å
275S61.2Low54.6Low30 Ų30107.7 Ų107.721%0.2157%0.566CS.*Hα-helixtrans-71.5-42174.276.80000111.4S260 E271 Y272 S277 K278 S279S260-S275 PolarHBondContact OG-OG 2.85Å; E271-S275 PolarHBondContact O-N 3.25Å; Y272-S275 WeakPolarHBondContact O-CB 3.17Å; Y272-S275 PolarHBondContact O-N 3.45Å; Y272-S275 PolarHBondContact O-OG 3.41Å; S275-S277 VanDerWaalsContact C-N 3.34Å; S275-S277 PolarHBondContact O-N 3.08Å; S275-K278 PolarHBondContact O-N 2.58Å; S275-S279 PolarHBondContact O-N 3.19Å; S275-S279 PolarHBondContact O-OG 3.32Å
276V57.4Low53.8Low63 Ų63107.5 Ų107.538%0.38257%0.572SS.*Hα-helixtrans-68.8-32.6-179.4176.70000111.5Y272 K278Y272-V276 HydrophobicContact CD2-CG2 4.09Å; Y272-V276 HydrophobicContact CE1-CG2 4.07Å; Y272-V276 HydrophobicContact CE2-CG2 3.6Å; Y272-V276 WeakPolarHBondContact O-CG2 3.31Å; Y272-V276 PolarHBondContact O-N 3.37Å; V276-K278 VanDerWaalsContact C-N 3.33Å
277S56Low53Low90 Ų90106.1 Ų106.163%0.62958%0.576SS**Hα-helixtrans-75.5-18.3178.165.20000114.1M273 N274 S275M273-S277 WeakPolarHBondContact O-CB 3.38Å; M273-S277 PolarHBondContact O-N 3.31Å; M273-S277 PolarHBondContact O-OG 2.91Å; N274-S277 PolarHBondContact O-OG 3.03Å; N274-S277 VanDerWaalsContact O-OG 3.12Å; S275-S277 VanDerWaalsContact C-N 3.34Å; S275-S277 PolarHBondContact O-N 3.08Å
278K54.3Low51.6Low188 Ų188113 Ų11382%0.81760%0.601SS**Hα-helixtrans-97.2-23.6-179.3-74.9-177.5178.9178.40114.4S275 V276S275-K278 PolarHBondContact O-N 2.58Å; V276-K278 VanDerWaalsContact C-N 3.33Å
279S47.2Very low50.6Low76 Ų76118 Ų11853%0.53163%0.625SS.*SBendtrans-93.8118.8177.357.50000111S275 K281S275-S279 PolarHBondContact O-N 3.19Å; S275-S279 PolarHBondContact O-OG 3.32Å; S279-K281 PolarHBondContact O-N 3.3Å
280N43Very low49.3Very low150 Ų150117.1 Ų117.180%0.80263%0.634SS**  trans-42.4137.6175.1-93.8-33.5000113.1H282N280-H282 VanDerWaalsContact C-N 3.31Å; N280-H282 PolarHBondContact O-N 3.07Å
281K40.7Very low47.8Very low205 Ų205119.5 Ų119.589%0.89164%0.641SS**  trans-52.983.6173.6-62.6173.2179.8176.90111.7S279S279-K281 PolarHBondContact O-N 3.3Å
282H41.1Very low46.5Very low160 Ų160120.3 Ų120.374%0.74165%0.648SS**  trans-129.1103.3163.8-80.2-64.5000108.6N280 L284N280-H282 VanDerWaalsContact C-N 3.31Å; N280-H282 PolarHBondContact O-N 3.07Å; H282-L284 PolarHBondContact O-N 3.01Å
283L42.6Very low45.1Very low175 Ų175128.2 Ų128.292%0.91668%0.683SS**PPolyproline II helixtrans-54.5120162-71.9161.9000107.5
284L44Very low43.8Very low102 Ų102129.7 Ų129.753%0.53469%0.692SS.*PPolyproline II helixtrans-65.3144.4168.5-75.2178.9000109.4L259 H282L259-L284 HydrophobicContact CD1-CD1 3.47Å; L259-L284 VanDerWaalsContact CD1-CD1 3.47Å; L259-L284 HydrophobicContact CD1-CD2 4.05Å; L259-L284 HydrophobicContact CD1-CG 3.65Å; L259-L284 HydrophobicContact CD2-CD1 3.93Å; L259-L284 HydrophobicContact CG-CD1 3.48Å; L259-L284 VanDerWaalsContact CG-CD1 3.48Å; L259-L284 HydrophobicContact CG-CG 4.18Å; H282-L284 PolarHBondContact O-N 3.01Å
285P37.2Very low42.3Very low105 Ų105133.4 Ų133.468%0.68271%0.711SS**PPolyproline II helixtrans-62.2155.1171.227.7-32.9000110.5
286P39Very low40.8Very low116 Ų116139.2 Ų139.275%0.75374%0.735SS**PPolyproline II helixtrans-57.3146.5-179.323.2-33000111.4K288P286-K288 PolarHBondContact O-N 3.31Å
287P40.9Very low39.6Very low124 Ų124141.7 Ų141.781%0.80575%0.754SS**PPolyproline II helixtrans-62.8137-178.720.5-23.9000110.3T289P287-T289 PolarHBondContact O-N 3.12Å
288K36.2Very low38.3Very low187 Ų187146.7 Ų146.781%0.81376%0.764SS**PPolyproline II helixtrans-58.8127.4173.6-71.5-177.6178.5179.10108.8P286 S290P286-K288 PolarHBondContact O-N 3.31Å; K288-S290 PolarHBondContact O-N 3.24Å
289T40Very low37.3Very low136 Ų136148.7 Ų148.783%0.83477%0.767SS**THydrogen-bonded Turntrans-64.810.2-169.820000115.8P287P287-T289 PolarHBondContact O-N 3.12Å
290S37.6Very low36.7Very low102 Ų102150.5 Ų150.571%0.71378%0.779SS**THydrogen-bonded Turntrans-102.9-1.4-167.955.10000116K288K288-S290 PolarHBondContact O-N 3.24Å
291E33.9Very low36.1Very low175 Ų175149.5 Ų149.582%0.81877%0.774SS**  trans-133.826.6-179.1-70-168.5167.200114.9K293E291-K293 PolarHBondContact O-N 2.83Å
292I36.4Very low35.9Very low130 Ų130145.6 Ų145.667%0.66777%0.769SS**  trans-72.684164.6-54.7176.9000107.3N294I292-N294 VanDerWaalsContact C-N 3.31Å; I292-N294 PolarHBondContact O-N 3.32Å
293K33.6Very low35.5Very low189 Ų189145.2 Ų145.282%0.82277%0.773SS**  trans-60.6106.3154.3-80.1-176.1179.9175.20105.1E291 L295E291-K293 PolarHBondContact O-N 2.83Å; K293-L295 PolarHBondContact O-N 3.23Å
294N33.4Very low35.1Very low124 Ų124141.7 Ų141.766%0.66376%0.763SS**  trans-48.296.2166.4-75.2-29.1000107.6I292 H296I292-N294 VanDerWaalsContact C-N 3.31Å; I292-N294 PolarHBondContact O-N 3.32Å; N294-H296 PolarHBondContact O-N 2.86Å
295L32.1Very low34.4Very low174 Ų174146 Ų14691%0.91178%0.78SS**  trans-67.870.7151.7-84.1141000104.5K293 C297K293-L295 PolarHBondContact O-N 3.23Å; L295-C297 PolarHBondContact O-N 3.36Å
296H30.3Very low34Very low152 Ų152148.2 Ų148.270%0.70479%0.786SS**  trans-51.5117.8159.6-103.5-43.6000104.6N294 K298N294-H296 PolarHBondContact O-N 2.86Å; H296-K298 VanDerWaalsContact C-N 3.28Å; H296-K298 PolarHBondContact O-N 2.87Å
297C32.3Very low33.5Very low116 Ų116148.5 Ų148.578%0.78479%0.79SS**  trans-42.4104.9159.6-171.60000105.8L295 R299L295-C297 PolarHBondContact O-N 3.36Å; C297-R299 VanDerWaalsContact C-N 3.28Å; C297-R299 PolarHBondContact O-N 2.98Å
298K29.5Very low33Very low194 Ų194151 Ų15184%0.84379%0.789SS**  trans-62.9101.8178.3-79.9-175.4176-179.90104.3H296 S300H296-K298 VanDerWaalsContact C-N 3.28Å; H296-K298 PolarHBondContact O-N 2.87Å; K298-S300 VanDerWaalsContact C-N 3.34Å; K298-S300 PolarHBondContact O-N 3.13Å
299R32.2Very low32.7Very low231 Ų231147.7 Ų147.787%0.87279%0.789SS**  trans-53.4105.4164.6-73179.8175.9177.3-2.3105.4C297 N301C297-R299 VanDerWaalsContact C-N 3.28Å; C297-R299 PolarHBondContact O-N 2.98Å; R299-N301 PolarHBondContact O-N 2.74Å
300S33.9Very low32.4Very low113 Ų113148.2 Ų148.279%0.7979%0.785SS**  trans-63104.5171.145.80000106.4K298K298-S300 VanDerWaalsContact C-N 3.34Å; K298-S300 PolarHBondContact O-N 3.13Å
301N31.2Very low32Very low129 Ų129148.5 Ų148.569%0.6978%0.778SS**  trans-56.1132.6168.3-101.7-13.4000108.4R299 N303R299-N301 PolarHBondContact O-N 2.74Å; N301-N303 PolarHBondContact O-N 3.12Å
302P36.2Very low32Very low123 Ų123145.5 Ų145.580%0.79977%0.774SS**SBendtrans-68.34.8176.8-16.629.8000114.7
303N33Very low31.8Very low152 Ų152148 Ų14881%0.81378%0.78SS**  trans-117.441.9-168.6-71.1-16.6000113.7N301N301-N303 PolarHBondContact O-N 3.12Å
304S33.9Very low31.9Very low101 Ų101147.1 Ų147.171%0.70678%0.779SS**  trans-123.296.1161.170.60000110.5L306S304-L306 PolarHBondContact O-N 3.31Å
305E29.1Very low32Very low193 Ų193148.5 Ų148.590%0.90279%0.785SS**  trans-52.4101154.2-67.7178.8157.500108.3
306L29.2Very low31.8Very low152 Ų152149.6 Ų149.680%0.79678%0.783SS**  trans170.591.9148-114.383.6000108.2S304S304-L306 PolarHBondContact O-N 3.31Å
307S29.7Very low31.7Very low121 Ų121145.9 Ų145.985%0.84679%0.785SS**  trans-129.896.8153.559.60000108.4S309S307-S309 PolarHBondContact O-N 3.03Å
308K28.4Very low31.5Very low178 Ų178146.2 Ų146.277%0.77478%0.784SS**  trans-51122.5166.8-69.5175177176.80107.6I310K308-I310 PolarHBondContact O-N 3.2Å
309S31.3Very low31.4Very low117 Ų117146.6 Ų146.682%0.81879%0.789SS**  trans-51.1107.3169.953.30000109.6S307 N311S307-S309 PolarHBondContact O-N 3.03Å; S309-N311 PolarHBondContact O-N 2.85Å
310I33.3Very low31.2Very low146 Ų146139 Ų13975%0.74978%0.782SS**  trans-74.2117.4171-65.1174.9000106.8K308K308-I310 PolarHBondContact O-N 3.2Å
311N29.3Very low31Very low108 Ų108138.6 Ų138.658%0.57878%0.779SS**  trans-67.7123.8-177.5-124.9-29000109.6S309 K313 Q314S309-N311 PolarHBondContact O-N 2.85Å; N311-K313 PolarHBondContact O-N 2.97Å; N311-Q314 PolarHBondContact O-N 2.55Å
312P32.8Very low31Very low113 Ų113138.1 Ų138.173%0.73478%0.781SS**THydrogen-bonded Turntrans-63.7-2.1-176-20.530.6000115.3
313K33.3Very low30.9Very low183 Ų183142 Ų14280%0.79679%0.785SS**THydrogen-bonded Turntrans-96.8-0.4-175.8-68.3-177.2176.9178.30114.6N311N311-K313 PolarHBondContact O-N 2.97Å
314Q35.7Very low31.1Very low169 Ų169139.8 Ų139.879%0.7978%0.777SS**SBendtrans-94-3.1177.9-71.2-175.3-1900114.2N311 K316N311-Q314 PolarHBondContact O-N 2.55Å; Q314-K316 PolarHBondContact O-N 3.12Å
315L35.5Very low31.7Very low153 Ų153143.1 Ų143.180%0.80178%0.781SS**  trans-94.567.4170.3-79.4136.1000110
316K27.6Very low32.5Very low198 Ų198139.1 Ų139.186%0.86177%0.766SS**  trans-119.697.1166.4-85.7-171173.9-173.10107.8Q314Q314-K316 PolarHBondContact O-N 3.12Å
317G27.8Very low33.8Very low73 Ų73136.8 Ų136.875%0.75376%0.755SS**  trans148.748.5174.700000114.8
318V29.3Very low35.4Very low123 Ų123134.8 Ų134.875%0.74573%0.731SS**  trans-146.193.8158.1-173.60000106.8
319E26.7Very low37.2Very low203 Ų203129 Ų12995%0.94971%0.711SS**  trans-70124.3164.6-72.8-179.8157.400107.7
320G27.8Very low39.3Very low72 Ų72130.8 Ų130.874%0.74270%0.7SS**  trans107.349173.900000115.8
321S29.5Very low41.3Very low103 Ų103128.4 Ų128.472%0.7269%0.685SS**  trans-98.398160.864.30000109.1K323S321-K323 PolarHBondContact O-N 3.33Å
322T32.5Very low44Very low119 Ų119127.2 Ų127.273%0.7368%0.683SS**  trans-41.4125.9155.35.50000107.9V324T322-V324 VanDerWaalsContact C-N 3.3Å; T322-V324 PolarHBondContact O-N 3.33Å
323K32.9Very low46.3Very low204 Ų204125.5 Ų125.589%0.88767%0.667SS**  trans-55.999.1170.2-79.1178.7175178.50107.1S321 E325S321-K323 PolarHBondContact O-N 3.33Å; K323-E325 VanDerWaalsContact C-N 3.26Å; K323-E325 PolarHBondContact O-N 2.79Å
324V38.8Very low48.7Very low106 Ų106120.5 Ų120.564%0.64265%0.649SS**  trans-65.4100.8159.6-178.40000103.5T322 N326T322-V324 VanDerWaalsContact C-N 3.3Å; T322-V324 PolarHBondContact O-N 3.33Å; V324-N326 PolarHBondContact O-N 2.91Å
325E44.5Very low50.7Low171 Ų171114.4 Ų114.480%0.79962%0.62SS**  trans-50.5113.8164.7-93.9178.3159.100105.9K323 D327K323-E325 VanDerWaalsContact C-N 3.26Å; K323-E325 PolarHBondContact O-N 2.79Å; E325-D327 PolarHBondContact O-N 2.73Å
326N47.5Very low52.2Low109 Ų109113.5 Ų113.558%0.58362%0.623SS**  trans-67.198-169-84.2-46.2000107.8V324 F328V324-N326 PolarHBondContact O-N 2.91Å; N326-F328 HydrophobicContact CB-CD1 3.46Å; N326-F328 VanDerWaalsContact CB-CD1 3.46Å; N326-F328 HydrophobicContact CB-CE1 3.48Å; N326-F328 VanDerWaalsContact CB-CE1 3.48Å; N326-F328 WeakPolarHBondContact O-CD1 3.32Å; N326-F328 WeakPolarHBondContact O-CE1 3.48Å; N326-F328 PolarHBondContact O-N 3.35Å
327D56Low53.9Low104 Ų104112.2 Ų112.256%0.55662%0.618SS**  trans-71.267.4168.9-79.2-17.1000110E325E325-D327 PolarHBondContact O-N 2.73Å
328F63.4Low55.5Low78 Ų78111.9 Ų111.934%0.34260%0.598SS.*EExtended strand (participates in β ladder)trans-105.7145.4163.963.5-75.5000109.1R248 T249 N326R248-F328 HydrophobicContact CG-CB 3.91Å; R248-F328 HydrophobicContact CG-CD2 3.83Å; R248-F328 HydrophobicContact CG-CG 4.12Å; R248-F328 VanDerWaalsContact NE-CD2 3.32Å; T249-F328 WeakPolarHBondContact O-CA 3.22Å; T249-F328 WeakPolarHBondContact O-CB 3.45Å; N326-F328 HydrophobicContact CB-CD1 3.46Å; N326-F328 VanDerWaalsContact CB-CD1 3.46Å; N326-F328 HydrophobicContact CB-CE1 3.48Å; N326-F328 VanDerWaalsContact CB-CE1 3.48Å; N326-F328 WeakPolarHBondContact O-CD1 3.32Å; N326-F328 WeakPolarHBondContact O-CE1 3.48Å; N326-F328 PolarHBondContact O-N 3.35Å
329T64.9Low57.1Low57 Ų57109.1 Ų109.135%0.3558%0.582SS.*EExtended strand (participates in β ladder)trans-116.9154.6164.6-168.60000108.8T249 L251T249-T329 HydrophobicContact CG2-CG2 3.61Å; T249-T329 PolarHBondContact N-O 2.91Å; T249-T329 VanDerWaalsContact N-O 3.08Å; T249-T329 PolarHBondContact O-N 3.11Å; T249-T329 VanDerWaalsContact O-N 3.14Å; L251-T329 HydrophobicContact CD1-CG2 4.03Å; L251-T329 HydrophobicContact CD2-CG2 3.89Å; L251-T329 HydrophobicContact CG-CG2 3.8Å
330W76.3Confident58.8Low155 Ų155101.6 Ų101.659%0.58756%0.559SS**EExtended strand (participates in β ladder)trans-83.8123.9166.5-69.5102.5000107.4V246 R248V246-W330 HydrophobicContact CG1-CB 4.28Å; V246-W330 HydrophobicContact CG1-CD2 4.1Å; V246-W330 HydrophobicContact CG1-CE3 3.47Å; V246-W330 VanDerWaalsContact CG1-CE3 3.47Å; V246-W330 HydrophobicContact CG1-CG 4.47Å; V246-W330 HydrophobicContact CG1-CZ3 4.05Å; R248-W330 HydrophobicContact CB-CE3 4.27Å; R248-W330 HydrophobicContact CB-CH2 4.42Å; R248-W330 HydrophobicContact CB-CZ3 4.04Å
331E76.2Confident60.6Low96 Ų9699.3 Ų99.345%0.44953%0.529SS..EExtended strand (participates in β ladder)trans-113128.2176.9-173.6177.1-17100108.9S247 T249 I333S247-E331 PolarHBondContact N-O 3.08Å; S247-E331 VanDerWaalsContact N-O 3.13Å; S247-E331 PolarHBondContact O-N 3.5Å; T249-E331 HydrophobicContact CG2-CB 3.76Å; T249-E331 WeakPolarHBondContact CG2-OE2 3.44Å; E331-I333 PolarHBondContact O-N 3.21Å
332P84.6Confident62.7Low82 Ų82102.6 Ų102.653%0.53253%0.53SS..EExtended strand (participates in β ladder)trans-72.6116.9169.530.4-31.9000108.9Y244Y244-P332 HydrophobicContact CD1-CB 3.92Å; Y244-P332 HydrophobicContact CG-CB 4.23Å
333I81.7Confident65.5Low78 Ų7897 Ų9740%0.450%0.497SS..EExtended strand (participates in β ladder)trans-100119176.5-59-175000107.9Y244 D245 E331 Q335Y244-I333 CarbonylContact C-O 3.36Å; Y244-I333 WeakPolarHBondContact CA-O 3.37Å; D245-I333 PolarHBondContact N-O 3.06Å; D245-I333 PolarHBondContact O-N 2.62Å; E331-I333 PolarHBondContact O-N 3.21Å; I333-Q335 PolarHBondContact O-N 2.98Å
334L82.6Confident68.5Low77 Ų7790.6 Ų90.640%0.40347%0.467SS..EExtended strand (participates in β ladder)trans-60.7125.5176.4-17769.6000110.3R242 E243 Y244 M338R242-L334 HydrophobicContact CB-CD1 4.09Å; E243-L334 WeakPolarHBondContact O-CD1 3.48Å; Y244-L334 HydrophobicContact CD1-CB 4.15Å; Y244-L334 HydrophobicContact CD1-CD1 4.23Å; Y244-L334 HydrophobicContact CE1-CB 3.98Å; Y244-L334 HydrophobicContact CE1-CD1 3.79Å; Y244-L334 HydrophobicContact CE1-CG 4.49Å; Y244-L334 HydrophobicContact CE2-CD1 4.35Å; L334-M338 HydrophobicContact CD1-SD 4.5Å
335Q77.9Confident71.3Confident41 Ų4185.6 Ų85.619%0.19244%0.437CS..PPolyproline II helixtrans-65.6130.5174.1-78.3-140.712.900110.4E243 D245 I333 K337E243-Q335 HydrophobicContact CB-CB 4.13Å; E243-Q335 HydrophobicContact CB-CG 4.2Å; E243-Q335 PolarHBondContact O-N 2.98Å; D245-Q335 VanDerWaalsContact CG-NE2 3.31Å; D245-Q335 PolarHBondContact OD1-NE2 2.97Å; D245-Q335 WeakPolarHBondContact OD2-CG 3.45Å; D245-Q335 PolarHBondContact OD2-NE2 2.79Å; I333-Q335 PolarHBondContact O-N 2.98Å; Q335-K337 VanDerWaalsContact C-N 3.31Å; Q335-K337 PolarHBondContact O-N 2.94Å
336P66.7Low73.9Confident134 Ų13477.5 Ų77.587%0.8740%0.399SS*.SBendtrans-74.7-21-177.426.7-32.4000113.4
337K64.7Low76.3Confident171 Ų17173.1 Ų73.174%0.74338%0.375SS*.  trans-113.9103-177.3-172.1-178.7179.5-173.30108.9Q335Q335-K337 VanDerWaalsContact C-N 3.31Å; Q335-K337 PolarHBondContact O-N 2.94Å
338M61.9Low78.4Confident67 Ų6768.1 Ų68.133%0.3335%0.348SS..  trans-108.7113.5174.9-56.7177.7-3800107.1E241 R242 L334 G340E241-M338 VanDerWaalsContact O-SD 3.33Å; R242-M338 VanDerWaalsContact CD-SD 3.52Å; L334-M338 HydrophobicContact CD1-SD 4.5Å; M338-G340 PolarHBondContact O-N 2.91Å
339P61.7Low80Confident64 Ų6464.7 Ų64.742%0.41633%0.333SS..  trans-72.879.2169.431.1-30.9000108.2Y87Y87-P339 HydrophobicContact CD1-CB 4.36Å; Y87-P339 WeakPolarHBondContact CD1-O 3.21Å; Y87-P339 WeakPolarHBondContact CD2-O 3.17Å; Y87-P339 HydrophobicContact CE1-CB 3.78Å
340G61.9Low81.6Confident45 Ų4564.1 Ų64.146%0.46433%0.325SS..  trans-129.5140.3172.600000108.7M338M338-G340 PolarHBondContact O-N 2.91Å
341H65.9Low82.4Confident24 Ų2460.6 Ų60.611%0.11132%0.317CS..  trans-87.4153.4168.161.5-109.7000108.7I85 Y87 D90 F212I85-H341 PolarHBondContact O-ND1 3.24Å; Y87-H341 HydrophobicContact CD2-CB 4.43Å; Y87-H341 AromaticContact CD2-ND1 3.63Å; D90-H341 VanDerWaalsContact CG-NE2 3.32Å; D90-H341 IonicContact OD1-NE2 3.27Å; D90-H341 IonicContact OD2-CD2 2.97Å; D90-H341 IonicContact OD2-CE1 3.04Å; D90-H341 PolarHBondContact OD2-CE1 3.2Å; D90-H341 IonicContact OD2-ND1 2.79Å; D90-H341 IonicContact OD2-NE2 3.65Å; D90-H341 PolarHBondContact OD2-NE2 3.25Å; F212-H341 AromaticContact CE2-CD2 3.45Å; F212-H341 VanDerWaalsContact CE2-CD2 3.45Å; F212-H341 WeakPolarHBondContact CE2-CD2 3.07Å; F212-H341 AromaticContact CE2-CE1 3.81Å; F212-H341 AromaticContact CE2-NE2 2.91Å; F212-H341 WeakPolarHBondContact CE2-NE2 3.49Å; F212-H341 AromaticContact CZ-CD2 3.14Å; F212-H341 WeakPolarHBondContact CZ-CD2 3.43Å; F212-H341 AromaticContact CZ-CE1 3.78Å; F212-H341 AromaticContact CZ-CG 3.87Å; F212-H341 AromaticContact CZ-NE2 3.05Å; F212-H341 WeakPolarHBondContact CZ-NE2 3.46Å
342K73.9Confident83Confident173 Ų17357.7 Ų57.775%0.75231%0.306SS*.  trans-91.2114.2164.7-66-174179.9-174.30107
343G90.7Very high82.3Confident2 Ų256.9 Ų56.92%0.02130%0.302CS..  trans-156.5151.8179.700000110.9
344Y97.1Very high80.7Confident69 Ų6960.2 Ų60.227%0.27133%0.327SS..EExtended strand (participates in β ladder)trans-98.6131.4176.7-58.8-75.8000108.8S213 I216 V219 T236 E238S213-Y344 PolarHBondContact N-O 3.25Å; S213-Y344 PolarHBondContact O-N 3.24Å; I216-Y344 HydrophobicContact CB-CE2 4.15Å; I216-Y344 HydrophobicContact CD1-CD2 4.44Å; I216-Y344 HydrophobicContact CD1-CE1 4.32Å; I216-Y344 HydrophobicContact CD1-CE2 4.21Å; V219-Y344 VanDerWaalsContact CG2-CB 3.46Å; V219-Y344 HydrophobicContact CG2-CD2 3.86Å; V219-Y344 HydrophobicContact CG2-CG 3.84Å; T236-Y344 HydrophobicContact CG2-CD1 4.37Å; T236-Y344 HydrophobicContact CG2-CG 4.5Å; E238-Y344 HydrophobicContact CB-CD1 4.47Å
345I97.8Very high78.8Confident0 Ų064.5 Ų64.50%035%0.345CS..EExtended strand (participates in β ladder)trans-104117.8175-59.9164.1000107.3D90 L93 I94 C210 L211 F212 T236 V237 F347D90-I345 HydrophobicContact CB-CD1 3.98Å; D90-I345 WeakPolarHBondContact OD1-CD1 3.18Å; L93-I345 HydrophobicContact CB-CD1 4.48Å; L93-I345 HydrophobicContact CD2-CD1 3.82Å; L93-I345 HydrophobicContact CG-CD1 4.29Å; I94-I345 HydrophobicContact CG1-CD1 4.27Å; I94-I345 HydrophobicContact CG1-CG2 4.11Å; C210-I345 VanDerWaalsContact SG-CG2 3.55Å; L211-I345 CarbonylContact O-C 3.53Å; L211-I345 WeakPolarHBondContact O-CA 3.33Å; F212-I345 HydrophobicContact CD2-CG1 4.05Å; T236-I345 CarbonylContact C-O 3.56Å; T236-I345 WeakPolarHBondContact CA-O 3.13Å; V237-I345 HydrophobicContact CG2-CB 4.11Å; V237-I345 PolarHBondContact N-O 2.77Å; V237-I345 PolarHBondContact O-N 3.47Å; I345-F347 HydrophobicContact CB-CE2 4.37Å; I345-F347 HydrophobicContact CG2-CD2 4.12Å; I345-F347 HydrophobicContact CG2-CE1 4.07Å; I345-F347 HydrophobicContact CG2-CE2 3.44Å; I345-F347 VanDerWaalsContact CG2-CE2 3.44Å; I345-F347 HydrophobicContact CG2-CZ 3.42Å; I345-F347 VanDerWaalsContact CG2-CZ 3.42Å
346T98.6Very high76.7Confident1 Ų171.1 Ų71.11%0.00638%0.376CS..EExtended strand (participates in β ladder)trans-109.8118.7177.7-58.70000110C210 L211 L226 I234 S235 T236C210-T346 CarbonylContact C-O 3.58Å; C210-T346 WeakPolarHBondContact CA-O 2.76Å; L211-T346 HydrophobicContact CD1-CG2 4.35Å; L211-T346 PolarHBondContact N-O 3.02Å; L211-T346 PolarHBondContact O-N 3.16Å; L226-T346 HydrophobicContact CD1-CG2 4.08Å; I234-T346 HydrophobicContact CG2-CG2 4.03Å; S235-T346 CarbonylContact O-C 3.58Å; S235-T346 WeakPolarHBondContact O-CA 3.41Å; T236-T346 PolarHBondContact OG1-OG1 3.32Å
347F98.7Very high74.9Confident17 Ų1771.7 Ų71.78%0.07537%0.372CS..EExtended strand (participates in β ladder)trans-96.6147.4173.5-62.6-77.7000110.8L93 V209 C210 I234 S235 V237 I345L93-F347 HydrophobicContact CG-CE2 4.46Å; L93-F347 HydrophobicContact CG-CZ 4.34Å; L93-F347 WeakPolarHBondContact O-CZ 3.39Å; V209-F347 CarbonylContact O-C 3.55Å; V209-F347 WeakPolarHBondContact O-CA 3.19Å; C210-F347 HydrophobicContact CB-CD1 4.08Å; C210-F347 HydrophobicContact CB-CE1 4.06Å; I234-F347 CarbonylContact C-O 3.53Å; I234-F347 VanDerWaalsContact CA-O 3.3Å; I234-F347 WeakPolarHBondContact CA-O 3.33Å; S235-F347 PolarHBondContact N-O 3.18Å; S235-F347 PolarHBondContact O-N 3.42Å; V237-F347 HydrophobicContact CG2-CD2 4.36Å; V237-F347 HydrophobicContact CG2-CE2 3.89Å; I345-F347 HydrophobicContact CB-CE2 4.37Å; I345-F347 HydrophobicContact CG2-CD2 4.12Å; I345-F347 HydrophobicContact CG2-CE1 4.07Å; I345-F347 HydrophobicContact CG2-CE2 3.44Å; I345-F347 VanDerWaalsContact CG2-CE2 3.44Å; I345-F347 HydrophobicContact CG2-CZ 3.42Å; I345-F347 VanDerWaalsContact CG2-CZ 3.42Å
348A98.5Very high73.3Confident0 Ų070.8 Ų70.80%038%0.38CS..EExtended strand (participates in β ladder)trans-149158.1172.200000111V209 L226 F231 I234V209-A348 PolarHBondContact N-O 3.1Å; V209-A348 PolarHBondContact O-N 3.45Å; L226-A348 HydrophobicContact CD1-CB 3.85Å; L226-A348 HydrophobicContact CD2-CB 3.73Å; L226-A348 HydrophobicContact CG-CB 4.34Å; F231-A348 HydrophobicContact CB-CB 4.12Å; F231-A348 HydrophobicContact CD1-CB 4.01Å; F231-A348 HydrophobicContact CG-CB 4.35Å; I234-A348 HydrophobicContact CG1-CB 4.2Å
349T98.2Very high71.8Confident5 Ų573 Ų733%0.03140%0.402CS..EExtended strand (participates in β ladder)trans-119.1127.6-177.6-52.50000110.5I206 R208 R232 I351I206-T349 HydrophobicContact CG2-CG2 3.28Å; R208-T349 PolarHBondContact NH1-OG1 2.85Å; R232-T349 PolarHBondContact N-O 2.69Å; R232-T349 WeakPolarHBondContact O-CB 3.08Å; R232-T349 PolarHBondContact O-N 3.35Å; T349-I351 HydrophobicContact CG2-CG1 4.08Å
350W97.3Very high70.4Confident45 Ų4575 Ų7517%0.1742%0.417CS..EExtended strand (participates in β ladder)trans-90.9121165.6-175.6-110.3000109.1L201 G207 S229 F231L201-W350 HydrophobicContact CB-CG 4.49Å; L201-W350 HydrophobicContact CD1-CB 3.41Å; L201-W350 VanDerWaalsContact CD1-CB 3.41Å; L201-W350 HydrophobicContact CD1-CD2 4.39Å; L201-W350 HydrophobicContact CD1-CG 3.63Å; G207-W350 PolarHBondContact N-O 3.18Å; G207-W350 PolarHBondContact O-N 2.98Å; S229-W350 WeakPolarHBondContact O-CZ3 3.42Å; F231-W350 HydrophobicContact CD1-CB 4.16Å; F231-W350 HydrophobicContact CD1-CE3 4.22Å; F231-W350 HydrophobicContact CD2-CE3 4.14Å; F231-W350 HydrophobicContact CD2-CZ3 4.41Å; F231-W350 HydrophobicContact CE1-CB 3.72Å; F231-W350 AromaticContact CE1-CE3 3.99Å; F231-W350 HydrophobicContact CE1-CE3 3.99Å; F231-W350 HydrophobicContact CE1-CG 4.46Å; F231-W350 AromaticContact CE2-CE3 3.91Å; F231-W350 HydrophobicContact CE2-CE3 3.91Å; F231-W350 HydrophobicContact CE2-CZ3 4.22Å; F231-W350 HydrophobicContact CG-CE3 4.28Å; F231-W350 HydrophobicContact CZ-CB 4.44Å; F231-W350 HydrophobicContact CZ-CD2 4.48Å; F231-W350 AromaticContact CZ-CE3 3.81Å; F231-W350 HydrophobicContact CZ-CE3 3.81Å
351I94.9Very high69.1Low82 Ų8279.1 Ų79.142%0.42143%0.434SS..  trans-105.3112.7172.3-56.9178.8000105.5R232 T349 S353R232-I351 HydrophobicContact CB-CD1 4.14Å; R232-I351 HydrophobicContact CG-CD1 4Å; R232-I351 HydrophobicContact CG-CG1 4.46Å; T349-I351 HydrophobicContact CG2-CG1 4.08Å; I351-S353 PolarHBondContact O-N 3.33Å
352P87.6Confident67.5Low34 Ų3487 Ų8722%0.22147%0.471CS..  trans-53.6117.1173.2-2331.9000108.6L203 S205L203-P352 VanDerWaalsContact O-CB 3.23Å; L203-P352 WeakPolarHBondContact O-CB 3.43Å; S205-P352 WeakPolarHBondContact O-CD 3.42Å; S205-P352 WeakPolarHBondContact O-CG 3.24Å
353S71.1Confident65.6Low65 Ų6584 Ų8446%0.45547%0.47SS..  trans-72.7139.3176.455.70000107.9I351 Q355I351-S353 PolarHBondContact O-N 3.33Å; S353-Q355 PolarHBondContact O-N 3.27Å; S353-Q355 WeakPolarHBondContact OG-CB 3.22Å; S353-Q355 WeakPolarHBondContact OG-CG 3.37Å; S353-Q355 PolarHBondContact OG-OE1 3.37Å
354T47.7Very low63.1Low149 Ų14989.7 Ų89.791%0.91450%0.504SS*.  trans-66.556.5158.2130000109Q356T354-Q356 VanDerWaalsContact C-N 3.26Å; T354-Q356 PolarHBondContact O-N 3.36Å
355Q41.8Very low60.1Low166 Ų16694.6 Ų94.678%0.77653%0.53SS*.  trans-95.160.9172.3-78.1-178.1-700109.6S353S353-Q355 PolarHBondContact O-N 3.27Å; S353-Q355 WeakPolarHBondContact OG-CB 3.22Å; S353-Q355 WeakPolarHBondContact OG-CG 3.37Å; S353-Q355 PolarHBondContact OG-OE1 3.37Å
356Q33.9Very low57.4Low180 Ų180104.1 Ų104.184%0.84157%0.572SS**SBendtrans-137.285.5150.4-79.8-171.4-9.900105.8T354T354-Q356 VanDerWaalsContact C-N 3.26Å; T354-Q356 PolarHBondContact O-N 3.36Å
357N29Very low54.6Low147 Ų147112.8 Ų112.879%0.78661%0.614SS**SBendtrans168.145155.5-86.3-15.8000113.1
358V32Very low52.3Low151 Ų151117.5 Ų117.592%0.91565%0.647SS**SBendtrans-137.357.1161.7-164.80000109.4
359S30.3Very low49.7Very low114 Ų114122.5 Ų122.580%0.79768%0.682SS**SBendtrans-166.849.1167.564.30000112
360S32.1Very low47.9Very low105 Ų105130 Ų13073%0.73472%0.72SS**  trans175.973.7162.2540000111.2
361T34.5Very low45.7Very low132 Ų132135.1 Ų135.181%0.8175%0.751SS**  trans-142.894.4156-210000108.2C363T361-C363 PolarHBondContact O-N 2.85Å
362E32.5Very low43.6Very low191 Ų191143.8 Ų143.889%0.89379%0.789SS**  trans-52.9128.5149.9-70.2175.1141.300108
363C34.3Very low41.4Very low110 Ų110149.3 Ų149.374%0.74382%0.818SS**  trans-168.489.1153.1-100.10000108.7T361T361-C363 PolarHBondContact O-N 2.85Å
364T36.7Very low39.9Very low120 Ų120153.7 Ų153.774%0.73684%0.837SS**  trans34.6124.2131.552.90000120.1
365E35.8Very low39.4Very low172 Ų172154 Ų15480%0.80483%0.833SS**  trans62.9116.2141.7-64.6179.6163.700118.5
366F39.4Very low39.3Very low200 Ų200153.3 Ų153.388%0.87784%0.836SS**  174102.5118.3-105.4-86.9000109
367M39.8Very low39.7Very low183 Ų183151.6 Ų151.690%0.90184%0.836SS**PPolyproline II helixtrans-88.2131.3159.1-76.5-176.679.500108.2
368P51.1Low40.4Very low116 Ų116151.9 Ų151.975%0.75384%0.839SS**PPolyproline II helixtrans-89.9126.2158.925-12.1000109.7
369S43.6Very low41Very low105 Ų105152 Ų15273%0.73483%0.834SS**PPolyproline II helixtrans-60.8131.4163.646.40000110.4
370I61.1Low41.8Very low162 Ų162154.9 Ų154.983%0.83184%0.836SS**  trans-101.1111.8163.4-66.3173.5000106.2
371D50.7Low42.6Very low154 Ų154159.1 Ų159.182%0.82485%0.845SS**  trans-84119.1158.7-73-42000107.8
372E51.5Low43.3Very low264 Ų264161.5 Ų161.5100%1.23485%0.848SS**  trans-155.80145.4-114.8-174.7-173.400109.9

Retrieved 372 of 372 residues in 214.7 ms (Link to these results)

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