A0A060VMK5_ONCMY Loading...

ACTC protein

AlphaFold DB (P68035), UniProt , Accession A0A060VMK5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497758, Length 377 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
1M34.8Very low68.9Low232 Ų232103.6 Ų103.6100%1.14355%0.554SS**  090.30-65.7173.9-171.800103.6D3M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.07Å
2C35.8Very low71.4Confident123 Ų12395 Ų9583%0.83151%0.507SS*.  trans-68.8109.5161-59.30000101.9D4C2-D4 VanDerWaalsContact C-N 3.34Å; C2-D4 PolarHBondContact O-N 3.03Å
3D44.1Very low73.5Confident140 Ų14088 Ų8875%0.74947%0.47SS*.  trans-53.4115160.4-70.1-34.5000103.5M1 E5M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.07Å; D3-E5 PolarHBondContact O-N 2.94Å
4D49Very low75.1Confident154 Ų15482.4 Ų82.482%0.82444%0.44SS*.  trans-57.791.7164.4-70.8-41.4000103.4C2 E6C2-D4 VanDerWaalsContact C-N 3.34Å; C2-D4 PolarHBondContact O-N 3.03Å; D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 2.92Å
5E52.6Low76.5Confident176 Ų17677.7 Ų77.782%0.82242%0.419SS*.  trans-55.7104.2175.1-80.5-173.4162.500104.6D3 T7D3-E5 PolarHBondContact O-N 2.94Å; E5-T7 PolarHBondContact O-N 2.78Å
6E67.8Low77.7Confident157 Ų15773.4 Ų73.473%0.73440%0.396SS*.  trans-55.4103.9-173.5-119.6179.6178.400107.2D4 T8D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 2.92Å; E6-T8 PolarHBondContact O-N 3.26Å; E6-T8 VanDerWaalsContact O-N 3.09Å
7T84.6Confident78.8Confident82 Ų8269.9 Ų69.950%0.50338%0.382SS..PPolyproline II helixtrans-66.8121-169.4-270000108.8E5 A9 E102E5-T7 PolarHBondContact O-N 2.78Å; T7-A9 PolarHBondContact O-N 2.86Å; T7-E102 WeakPolarHBondContact CB-O 3.36Å; T7-E102 WeakPolarHBondContact CG2-O 3.49Å
8T94.6Very high79.8Confident68 Ų6870.3 Ų70.342%0.41738%0.383SS..PPolyproline II helixtrans-64.3126.3-172-49.70000110.2E6 F23 A24 H103E6-T8 PolarHBondContact O-N 3.26Å; E6-T8 VanDerWaalsContact O-N 3.09Å; T8-F23 HydrophobicContact CG2-CB 3.91Å; T8-F23 HydrophobicContact CG2-CD1 4.09Å; T8-A24 WeakPolarHBondContact CG2-O 3.48Å; T8-H103 PolarHBondContact O-ND1 3.35Å
9A97.8Very high80.8Confident8 Ų866.6 Ų66.67%0.06636%0.363CS..PPolyproline II helixtrans-67.6149.3179.400000112T7 F23 A24 P104 A349 W358T7-A9 PolarHBondContact O-N 2.86Å; A9-F23 WeakPolarHBondContact O-CA 3.43Å; A9-A24 HydrophobicContact CB-CB 4.12Å; A9-A24 WeakPolarHBondContact O-CB 3.38Å; A9-A24 PolarHBondContact O-N 3.35Å; A9-P104 CarbonylContact C-O 3.54Å; A9-P104 WeakPolarHBondContact CA-O 3.33Å; A9-P104 HydrophobicContact CB-CB 4.06Å; A9-A349 HydrophobicContact CB-CB 4.18Å; A9-W358 HydrophobicContact CB-CH2 3.9Å; A9-W358 HydrophobicContact CB-CZ2 3.62Å
10L98.4Very high81.7Confident0 Ų064.4 Ų64.40%035%0.35CS..EExtended strand (participates in β ladder)trans-92.6145.9169.8-58.1179.2000110.2G22 F23 F92 L96 V98 H103 P104 T105 L106L10-G22 WeakPolarHBondContact CA-O 3.45Å; L10-F23 HydrophobicContact CD2-CD1 3.68Å; L10-F23 HydrophobicContact CD2-CD2 4.38Å; L10-F23 HydrophobicContact CD2-CE1 3.66Å; L10-F23 HydrophobicContact CD2-CE2 4.35Å; L10-F23 HydrophobicContact CD2-CG 4.08Å; L10-F23 HydrophobicContact CD2-CZ 4.04Å; L10-F92 HydrophobicContact CD1-CD1 3.77Å; L10-F92 HydrophobicContact CD1-CE1 3.81Å; L10-L96 HydrophobicContact CD1-CD1 4.18Å; L10-L96 HydrophobicContact CD2-CD1 4.02Å; L10-V98 HydrophobicContact CD1-CG2 3.83Å; L10-H103 HydrophobicContact CD1-CB 3.88Å; L10-H103 HydrophobicContact CD2-CB 4.47Å; L10-H103 HydrophobicContact CG-CB 3.7Å; L10-P104 PolarHBondContact N-O 3.03Å; L10-T105 HydrophobicContact CB-CG2 4.49Å; L10-L106 PolarHBondContact O-N 3.17Å
11V98.7Very high82.5Confident0 Ų061.3 Ų61.30%033%0.333CS..EExtended strand (participates in β ladder)trans-120.4119.7173.7179.10000108.4A21 G22 A24 L106 W342 A349V11-A21 VanDerWaalsContact O-CA 3.25Å; V11-A21 WeakPolarHBondContact O-CA 3.47Å; V11-G22 PolarHBondContact N-O 2.89Å; V11-G22 PolarHBondContact O-N 3.27Å; V11-A24 HydrophobicContact CG2-CB 4.3Å; V11-L106 WeakPolarHBondContact CA-O 3.33Å; V11-L106 HydrophobicContact CG1-CD2 4.15Å; V11-L106 HydrophobicContact CG2-CB 4.45Å; V11-W342 HydrophobicContact CG1-CG 4.26Å; V11-W342 PolarHBondContact O-NE1 3.45Å; V11-A349 HydrophobicContact CG2-CB 4.28Å
12C98.6Very high85.5Confident0 Ų050.3 Ų50.30%028%0.279CS..EExtended strand (participates in β ladder)trans-118.398.3-179.1-69.70000110.3N14 L106 L107 T108C12-N14 PolarHBondContact O-N 3.43Å; C12-L106 PolarHBondContact N-O 3.28Å; C12-L107 HydrophobicContact CB-CD2 4.08Å; C12-T108 PolarHBondContact O-N 3.33Å; C12-T108 VanDerWaalsContact O-N 3.13Å
13D98.5Very high88.5Confident4 Ų445.3 Ų45.32%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-81.7106171.4171.228.4000110.4G15 V19 K20 T108 Q139 V341 W342D13-G15 PolarHBondContact O-N 3.24Å; D13-V19 WeakPolarHBondContact O-CA 3.49Å; D13-K20 HydrophobicContact CB-CB 4.19Å; D13-K20 PolarHBondContact N-O 2.73Å; D13-K20 PolarHBondContact O-N 2.89Å; D13-K20 WeakPolarHBondContact OD2-CD 3.38Å; D13-K20 IonicContact OD2-NZ 3.44Å; D13-K20 PolarHBondContact OD2-NZ 2.98Å; D13-T108 VanDerWaalsContact CA-OG1 3.29Å; D13-T108 WeakPolarHBondContact CA-OG1 3.23Å; D13-T108 HydrophobicContact CB-CG2 4.02Å; D13-T108 PolarHBondContact OD1-OG1 3.35Å; D13-T108 VanDerWaalsContact OD1-OG1 3.13Å; D13-Q139 PolarHBondContact OD1-NE2 3.17Å; D13-V341 HydrophobicContact CB-CG1 4.06Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.47Å; D13-W342 HydrophobicContact CB-CB 4.21Å
14N95.6Very high91Very high10 Ų1039.2 Ų39.25%0.05321%0.212CC..EExtended strand (participates in β ladder)trans-89.981.6-176.2-57.7-54000111C12 I73 M84 W88 L107 T108C12-N14 PolarHBondContact O-N 3.43Å; N14-I73 HydrophobicContact CB-CD1 4.13Å; N14-M84 HydrophobicContact CB-CE 4.23Å; N14-M84 WeakPolarHBondContact OD1-CE 3.49Å; N14-W88 PolarHBondContact OD1-NE1 2.93Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.43Å; N14-T108 PolarHBondContact N-OG1 2.91Å; N14-T108 PolarHBondContact ND2-O 3.4Å
15G96.1Very high93.2Very high12 Ų1234.3 Ų34.312%0.12420%0.198CC..  trans-86153.1175.800000113.6D13 G17 L18 S35D13-G15 PolarHBondContact O-N 3.24Å; G15-G17 PolarHBondContact O-N 2.87Å; G15-L18 WeakPolarHBondContact CA-O 3.3Å; G15-L18 PolarHBondContact N-O 2.78Å; G15-L18 VanDerWaalsContact N-O 3.12Å; G15-S35 VanDerWaalsContact O-CB 3.31Å; G15-S35 WeakPolarHBondContact O-CB 3.38Å; G15-S35 PolarHBondContact O-OG 2.81Å
16S96.1Very high95.3Very high8 Ų828.3 Ų28.36%0.05617%0.171CC..SBendtrans-64.6-24.6177.5-52.60000115I73 G76 R185S16-I73 VanDerWaalsContact OG-CG2 3.32Å; S16-I73 WeakPolarHBondContact OG-CG2 3.38Å; S16-G76 WeakPolarHBondContact OG-CA 3.4Å; S16-G76 PolarHBondContact OG-N 2.84Å; S16-R185 PolarHBondContact O-NH2 2.68Å
17G96.1Very high96.5Very high15 Ų1528.3 Ų28.316%0.15518%0.176CC..SBendtrans-104.3-38.6177.600000113.2G15 P34 S35G15-G17 PolarHBondContact O-N 2.87Å; G17-P34 WeakPolarHBondContact O-CA 3.31Å; G17-S35 PolarHBondContact O-N 2.94Å
18L97.6Very high97.1Very high77 Ų7726.9 Ų26.940%0.40317%0.173SC..EExtended strand (participates in β ladder)trans-138.9137.7-174.8-62.3171.4000110.4G15 V32 F33 P34 S35G15-L18 WeakPolarHBondContact CA-O 3.3Å; G15-L18 PolarHBondContact N-O 2.78Å; G15-L18 VanDerWaalsContact N-O 3.12Å; L18-V32 HydrophobicContact CB-CG1 4.44Å; L18-V32 HydrophobicContact CD1-CG1 4.12Å; L18-F33 CarbonylContact C-O 3.48Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.46Å; L18-P34 HydrophobicContact CD2-CG 4.45Å; L18-S35 WeakPolarHBondContact CA-OG 3.5Å; L18-S35 PolarHBondContact N-OG 3.2Å
19V98.4Very high97.2Very high0 Ų024.6 Ų24.60%016%0.159CC..EExtended strand (participates in β ladder)trans-87.8140.4161.31780000108.1D13 V32 F33 S35 I87D13-V19 WeakPolarHBondContact O-CA 3.49Å; V19-V32 WeakPolarHBondContact O-CA 3.23Å; V19-F33 HydrophobicContact CB-CD1 4.32Å; V19-F33 HydrophobicContact CB-CD2 4.47Å; V19-F33 HydrophobicContact CB-CE1 3.78Å; V19-F33 HydrophobicContact CB-CE2 3.95Å; V19-F33 HydrophobicContact CB-CZ 3.59Å; V19-F33 HydrophobicContact CG1-CE1 3.76Å; V19-F33 HydrophobicContact CG1-CZ 3.74Å; V19-F33 HydrophobicContact CG2-CE2 4.04Å; V19-F33 HydrophobicContact CG2-CZ 3.97Å; V19-F33 PolarHBondContact N-O 3.47Å; V19-F33 PolarHBondContact O-N 2.99Å; V19-F33 VanDerWaalsContact O-N 3.09Å; V19-S35 WeakPolarHBondContact CG2-OG 3.35Å; V19-S35 PolarHBondContact N-OG 2.76Å; V19-S35 VanDerWaalsContact N-OG 3.11Å; V19-I87 HydrophobicContact CG2-CG2 3.66Å
20K98.7Very high97.2Very high22 Ų2231.5 Ų31.510%0.09618%0.183CC..EExtended strand (participates in β ladder)trans-125.3127.6169.7-48.1172.4-162.170.30108.3D13 P29 A31 V32 K338 Y339 W342D13-K20 HydrophobicContact CB-CB 4.19Å; D13-K20 PolarHBondContact N-O 2.73Å; D13-K20 PolarHBondContact O-N 2.89Å; D13-K20 WeakPolarHBondContact OD2-CD 3.38Å; D13-K20 IonicContact OD2-NZ 3.44Å; D13-K20 PolarHBondContact OD2-NZ 2.98Å; K20-P29 HydrophobicContact CB-CB 4Å; K20-P29 HydrophobicContact CB-CG 4.26Å; K20-A31 CarbonylContact C-O 3.6Å; K20-A31 VanDerWaalsContact CA-O 3.32Å; K20-A31 WeakPolarHBondContact CA-O 3.27Å; K20-V32 HydrophobicContact CB-CG2 4.35Å; K20-V32 HydrophobicContact CG-CG1 4.2Å; K20-V32 HydrophobicContact CG-CG2 4.11Å; K20-K338 WeakPolarHBondContact CE-O 3.27Å; K20-Y339 HydrophobicContact CD-CD1 3.75Å; K20-Y339 HydrophobicContact CD-CE1 4.35Å; K20-W342 HydrophobicContact CB-CB 4.31Å; K20-W342 HydrophobicContact CB-CG 4.32Å
21A98.8Very high97.2Very high0 Ų031.7 Ų31.70%019%0.185CC..EExtended strand (participates in β ladder)trans-139151-175.400000111.9V11 P29 R30 A31 T91 L96V11-A21 VanDerWaalsContact O-CA 3.25Å; V11-A21 WeakPolarHBondContact O-CA 3.47Å; A21-P29 CarbonylContact O-C 3.57Å; A21-R30 PolarHBondContact O-N 2.89Å; A21-A31 PolarHBondContact N-O 3.33Å; A21-A31 PolarHBondContact O-N 2.62Å; A21-T91 HydrophobicContact CB-CG2 3.31Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.31Å; A21-L96 HydrophobicContact CB-CG 4.32Å
22G98.5Very high97.2Very high0 Ų034.1 Ų34.10%020%0.2CC..EExtended strand (participates in β ladder)trans175.2-170.7179.500000111.5L10 V11L10-G22 WeakPolarHBondContact CA-O 3.45Å; V11-G22 PolarHBondContact N-O 2.89Å; V11-G22 PolarHBondContact O-N 3.27Å
23F98.1Very high97.2Very high19 Ų1934.2 Ų34.28%0.08320%0.2CC..EExtended strand (participates in β ladder)trans-96143.3-177.3-65-103.1000109.9T8 A9 L10 D26 R30 L96 V98 H103T8-F23 HydrophobicContact CG2-CB 3.91Å; T8-F23 HydrophobicContact CG2-CD1 4.09Å; A9-F23 WeakPolarHBondContact O-CA 3.43Å; L10-F23 HydrophobicContact CD2-CD1 3.68Å; L10-F23 HydrophobicContact CD2-CD2 4.38Å; L10-F23 HydrophobicContact CD2-CE1 3.66Å; L10-F23 HydrophobicContact CD2-CE2 4.35Å; L10-F23 HydrophobicContact CD2-CG 4.08Å; L10-F23 HydrophobicContact CD2-CZ 4.04Å; F23-D26 WeakPolarHBondContact O-CB 3.4Å; F23-D26 PolarHBondContact O-N 3.32Å; F23-R30 HydrophobicContact CD2-CG 4.29Å; F23-R30 VanDerWaalsContact CE2-CZ 3.46Å; F23-L96 HydrophobicContact CE2-CD2 4.45Å; F23-V98 HydrophobicContact CE1-CG1 4.2Å; F23-V98 HydrophobicContact CZ-CG1 3.6Å; F23-H103 AromaticContact CE1-CE1 3.9Å
24A97.2Very high97.2Very high12 Ų1234.9 Ų34.910%0.09921%0.205CC..THydrogen-bonded Turntrans-61139.5171.500000110.4T8 A9 V11 D26 A349T8-A24 WeakPolarHBondContact CG2-O 3.48Å; A9-A24 HydrophobicContact CB-CB 4.12Å; A9-A24 WeakPolarHBondContact O-CB 3.38Å; A9-A24 PolarHBondContact O-N 3.35Å; V11-A24 HydrophobicContact CG2-CB 4.3Å; A24-D26 VanDerWaalsContact C-N 3.34Å; A24-A349 HydrophobicContact CB-CB 3.64Å
25G94.9Very high97.3Very high50 Ų5034.4 Ų34.452%0.51520%0.203SC..THydrogen-bonded Turntrans89.5-15.5-173.800000114.8S346G25-S346 PolarHBondContact N-OG 3.02Å
26D96.3Very high97.4Very high50 Ų5034 Ų3427%0.26720%0.197SC..  trans-73.2146.4170.6-73.4-11.3000110.1F23 A24 A28 R30 W342 S346F23-D26 WeakPolarHBondContact O-CB 3.4Å; F23-D26 PolarHBondContact O-N 3.32Å; A24-D26 VanDerWaalsContact C-N 3.34Å; D26-A28 VanDerWaalsContact C-N 3.33Å; D26-A28 PolarHBondContact O-N 3.43Å; D26-R30 IonicContact OD1-NH2 2.93Å; D26-R30 IonicContact OD2-CZ 3.3Å; D26-R30 IonicContact OD2-NE 2.72Å; D26-R30 PolarHBondContact OD2-NE 3.37Å; D26-R30 IonicContact OD2-NH2 3.59Å; D26-R30 PolarHBondContact OD2-NH2 2.96Å; D26-R30 VanDerWaalsContact OD2-NH2 3.07Å; D26-W342 HydrophobicContact CB-CH2 3.84Å; D26-W342 VanDerWaalsContact O-CH2 3.32Å; D26-W342 WeakPolarHBondContact O-CH2 3.48Å; D26-W342 WeakPolarHBondContact O-CZ3 3.42Å; D26-S346 PolarHBondContact N-OG 3.14Å; D26-S346 PolarHBondContact O-OG 2.88Å
27D93.6Very high97.5Very high157 Ų15733.6 Ų33.684%0.8420%0.195SC*.SBendtrans-76-16.9-179.3-68.3-41.4000113.9
28A96.1Very high97.5Very high53 Ų5332.9 Ų32.944%0.43819%0.187SC..SBendtrans-150.5152.9-178.100000111D26 R30 W342D26-A28 VanDerWaalsContact C-N 3.33Å; D26-A28 PolarHBondContact O-N 3.43Å; A28-R30 PolarHBondContact O-N 2.98Å; A28-W342 VanDerWaalsContact CA-CZ3 3.48Å; A28-W342 WeakPolarHBondContact O-CH2 3.48Å; A28-W342 WeakPolarHBondContact O-CZ3 3.48Å
29P98Very high97.4Very high19 Ų1933 Ų3312%0.12318%0.183CC..  trans-61138.5176.525.6-33.8000110.7K20 A21 A31 V32 Y339 W342K20-P29 HydrophobicContact CB-CB 4Å; K20-P29 HydrophobicContact CB-CG 4.26Å; A21-P29 CarbonylContact O-C 3.57Å; P29-A31 VanDerWaalsContact C-N 3.32Å; P29-V32 HydrophobicContact CB-CG2 4.1Å; P29-V32 HydrophobicContact CG-CG2 3.64Å; P29-Y339 HydrophobicContact CG-CD1 4.36Å; P29-Y339 HydrophobicContact CG-CG 4.43Å; P29-W342 HydrophobicContact CB-CD2 3.72Å; P29-W342 HydrophobicContact CB-CE3 4.2Å; P29-W342 HydrophobicContact CB-CG 3.97Å; P29-W342 HydrophobicContact CB-CZ2 4.42Å; P29-W342 HydrophobicContact CG-CD2 4.28Å; P29-W342 HydrophobicContact CG-CE3 4.39Å; P29-W342 HydrophobicContact CG-CG 4.48Å
30R97.8Very high97.1Very high153 Ų15335.2 Ų35.258%0.57720%0.197SC*.SBendtrans-72.3-28.2174.7-66.3-159-176.5174.34.7112.6A21 F23 D26 A28 L96A21-R30 PolarHBondContact O-N 2.89Å; F23-R30 HydrophobicContact CD2-CG 4.29Å; F23-R30 VanDerWaalsContact CE2-CZ 3.46Å; D26-R30 IonicContact OD1-NH2 2.93Å; D26-R30 IonicContact OD2-CZ 3.3Å; D26-R30 IonicContact OD2-NE 2.72Å; D26-R30 PolarHBondContact OD2-NE 3.37Å; D26-R30 IonicContact OD2-NH2 3.59Å; D26-R30 PolarHBondContact OD2-NH2 2.96Å; D26-R30 VanDerWaalsContact OD2-NH2 3.07Å; A28-R30 PolarHBondContact O-N 2.98Å; R30-L96 HydrophobicContact CB-CD2 3.96Å
31A98.4Very high96.6Very high5 Ų539.9 Ų39.94%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-133.3137.1-179.600000110.9K20 A21 P29 F33 E95 L96K20-A31 CarbonylContact C-O 3.6Å; K20-A31 VanDerWaalsContact CA-O 3.32Å; K20-A31 WeakPolarHBondContact CA-O 3.27Å; A21-A31 PolarHBondContact N-O 3.33Å; A21-A31 PolarHBondContact O-N 2.62Å; P29-A31 VanDerWaalsContact C-N 3.32Å; A31-F33 HydrophobicContact CB-CD1 4.44Å; A31-E95 HydrophobicContact CB-CB 3.67Å; A31-E95 HydrophobicContact CB-CG 4.28Å; A31-L96 HydrophobicContact CB-CD2 4.44Å
32V98.3Very high95.8Very high51 Ų5146.2 Ų46.231%0.30924%0.243SC..EExtended strand (participates in β ladder)trans-139.5112.4171.8-1790000107.5L18 V19 K20 P29 Y339L18-V32 HydrophobicContact CB-CG1 4.44Å; L18-V32 HydrophobicContact CD1-CG1 4.12Å; V19-V32 WeakPolarHBondContact O-CA 3.23Å; K20-V32 HydrophobicContact CB-CG2 4.35Å; K20-V32 HydrophobicContact CG-CG1 4.2Å; K20-V32 HydrophobicContact CG-CG2 4.11Å; P29-V32 HydrophobicContact CB-CG2 4.1Å; P29-V32 HydrophobicContact CG-CG2 3.64Å; V32-Y339 HydrophobicContact CG2-CE1 4.29Å
33F98.4Very high94.5Very high1 Ų156 Ų560%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-143.8156.8-174.866-89.9000112.1L18 V19 A31 S35 V56 I87 H90 T91 E95L18-F33 CarbonylContact C-O 3.48Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.46Å; V19-F33 HydrophobicContact CB-CD1 4.32Å; V19-F33 HydrophobicContact CB-CD2 4.47Å; V19-F33 HydrophobicContact CB-CE1 3.78Å; V19-F33 HydrophobicContact CB-CE2 3.95Å; V19-F33 HydrophobicContact CB-CZ 3.59Å; V19-F33 HydrophobicContact CG1-CE1 3.76Å; V19-F33 HydrophobicContact CG1-CZ 3.74Å; V19-F33 HydrophobicContact CG2-CE2 4.04Å; V19-F33 HydrophobicContact CG2-CZ 3.97Å; V19-F33 PolarHBondContact N-O 3.47Å; V19-F33 PolarHBondContact O-N 2.99Å; V19-F33 VanDerWaalsContact O-N 3.09Å; A31-F33 HydrophobicContact CB-CD1 4.44Å; F33-S35 PolarHBondContact O-N 2.87Å; F33-V56 HydrophobicContact CE2-CG1 4.28Å; F33-I87 HydrophobicContact CE2-CG2 4.16Å; F33-I87 HydrophobicContact CZ-CG2 4.22Å; F33-H90 AromaticContact CE2-CD2 3.71Å; F33-H90 AromaticContact CZ-CD2 3.93Å; F33-T91 VanDerWaalsContact CZ-OG1 3.31Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.31Å; F33-E95 HydrophobicContact CD1-CG 3.75Å; F33-E95 HydrophobicContact CE1-CB 4.47Å; F33-E95 HydrophobicContact CE1-CG 3.78Å; F33-E95 HydrophobicContact CG-CG 4.48Å
34P97.9Very high93Very high19 Ų1957 Ų5712%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-58.1132.8178.6-28.137.2000114.5G17 L18 I36 G57 D58G17-P34 WeakPolarHBondContact O-CA 3.31Å; L18-P34 HydrophobicContact CD2-CG 4.45Å; P34-I36 HydrophobicContact CB-CD1 3.85Å; P34-I36 HydrophobicContact CB-CG1 3.85Å; P34-I36 HydrophobicContact CB-CG2 4.44Å; P34-I36 PolarHBondContact O-N 3.05Å; P34-G57 WeakPolarHBondContact O-CA 3.49Å; P34-D58 WeakPolarHBondContact CD-OD1 3.45Å
35S97.8Very high91.4Very high0 Ų059.6 Ų59.60%032%0.319CS..  trans-7762.1176.7-550000111.9G15 G17 L18 V19 F33 P72G15-S35 VanDerWaalsContact O-CB 3.31Å; G15-S35 WeakPolarHBondContact O-CB 3.38Å; G15-S35 PolarHBondContact O-OG 2.81Å; G17-S35 PolarHBondContact O-N 2.94Å; L18-S35 WeakPolarHBondContact CA-OG 3.5Å; L18-S35 PolarHBondContact N-OG 3.2Å; V19-S35 WeakPolarHBondContact CG2-OG 3.35Å; V19-S35 PolarHBondContact N-OG 2.76Å; V19-S35 VanDerWaalsContact N-OG 3.11Å; F33-S35 PolarHBondContact O-N 2.87Å; S35-P72 WeakPolarHBondContact O-CD 3.42Å
36I97.6Very high90Very high2 Ų257.6 Ų57.61%0.0130%0.297CS..  trans-135149.1-173.464.8-178.9000112.7P34 V56 G57 A60 Q61 L69 K70 Y71P34-I36 HydrophobicContact CB-CD1 3.85Å; P34-I36 HydrophobicContact CB-CG1 3.85Å; P34-I36 HydrophobicContact CB-CG2 4.44Å; P34-I36 PolarHBondContact O-N 3.05Å; I36-V56 WeakPolarHBondContact O-CA 3.4Å; I36-G57 PolarHBondContact O-N 2.81Å; I36-G57 VanDerWaalsContact O-N 3.15Å; I36-A60 HydrophobicContact CD1-CB 4.05Å; I36-A60 HydrophobicContact CG1-CB 4.03Å; I36-Q61 HydrophobicContact CD1-CB 3.98Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.25Å; I36-L69 HydrophobicContact CD1-CD1 4.22Å; I36-K70 WeakPolarHBondContact CA-O 3.49Å; I36-Y71 HydrophobicContact CG2-CD1 3.45Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.45Å; I36-Y71 HydrophobicContact CG2-CE1 3.24Å; I36-Y71 HydrophobicContact CG2-CE2 4.41Å; I36-Y71 HydrophobicContact CG2-CG 4.15Å
37V98.3Very high88.3Confident0 Ų060.9 Ų60.90%032%0.318CS..EExtended strand (participates in β ladder)trans-121.2126.5169.5-177.20000109.1Y55 V56 K70 D83 K86 I87V37-Y55 CarbonylContact C-O 3.34Å; V37-Y55 WeakPolarHBondContact CA-O 3.18Å; V37-V56 HydrophobicContact CG2-CG2 4.4Å; V37-K70 PolarHBondContact N-O 2.88Å; V37-K70 PolarHBondContact O-N 3.35Å; V37-D83 HydrophobicContact CB-CB 4.27Å; V37-D83 HydrophobicContact CG2-CB 3.79Å; V37-K86 HydrophobicContact CG1-CD 4.14Å; V37-K86 HydrophobicContact CG2-CB 4.46Å; V37-I87 HydrophobicContact CG2-CD1 4.35Å; V37-I87 HydrophobicContact CG2-CG1 3.95Å
38G96.7Very high86.9Confident0 Ų057.3 Ų57.30%032%0.318CS..EExtended strand (participates in β ladder)trans-108.3137.4177.700000112.4S54 Y55 T68G38-S54 CarbonylContact O-C 3.54Å; G38-S54 VanDerWaalsContact O-CA 3.32Å; G38-S54 WeakPolarHBondContact O-CA 3.3Å; G38-Y55 PolarHBondContact N-O 2.9Å; G38-Y55 PolarHBondContact O-N 3.15Å; G38-T68 WeakPolarHBondContact CA-O 3.19Å
39R95Very high85.4Confident81 Ų8160.9 Ų60.931%0.30633%0.328SS..EExtended strand (participates in β ladder)trans-124.4140.8174-67.1177.6175.183.3-10.1111R41 L67 T68 D83R39-R41 PolarHBondContact O-N 3.11Å; R39-L67 CarbonylContact O-C 3.45Å; R39-L67 VanDerWaalsContact O-CA 3.31Å; R39-L67 WeakPolarHBondContact O-CA 3.47Å; R39-T68 PolarHBondContact N-O 3.44Å; R39-T68 PolarHBondContact O-N 3.13Å; R39-D83 IonicContact CZ-OD1 3.21Å; R39-D83 VanDerWaalsContact CZ-OD1 3.27Å; R39-D83 IonicContact CZ-OD2 2.74Å; R39-D83 IonicContact NH1-OD1 3.23Å; R39-D83 PolarHBondContact NH1-OD1 3.07Å; R39-D83 IonicContact NH1-OD2 2.8Å; R39-D83 PolarHBondContact NH1-OD2 3.29Å; R39-D83 IonicContact NH2-OD1 3.22Å; R39-D83 PolarHBondContact NH2-OD1 3.3Å; R39-D83 IonicContact NH2-OD2 2.81Å
40P92.2Very high83.8Confident46 Ų4662.2 Ų62.230%0.29935%0.345SS..EExtended strand (participates in β ladder)trans-55.3134178.76.3-13.5000112.4M46 L67P40-M46 HydrophobicContact CB-CE 3.51Å; P40-M46 HydrophobicContact CB-SD 4.12Å; P40-M46 HydrophobicContact CG-CE 3.59Å; P40-M46 HydrophobicContact CG-SD 3.89Å; P40-L67 HydrophobicContact CB-CD2 4.4Å
41R88.7Confident82.5Confident120 Ų12061.7 Ų61.745%0.45335%0.349SS..SBendtrans-70.1-31.9178.1-72.3-179.2-171.4-178.68.7113.5R39 R64 I66 L67 T68R39-R41 PolarHBondContact O-N 3.11Å; R41-R64 PolarHBondContact NH2-O 3.44Å; R41-I66 PolarHBondContact N-O 3.42Å; R41-I66 VanDerWaalsContact N-O 3.09Å; R41-L67 PolarHBondContact NE-O 3.37Å; R41-L67 PolarHBondContact NH2-O 3.14Å; R41-T68 WeakPolarHBondContact CG-OG1 3.32Å
42H81.9Confident81.8Confident133 Ų13366.1 Ų66.162%0.61637%0.368SS*.SBendtrans-137.7140.7-178.5-48.382.5000109.6V45H42-V45 HydrophobicContact CB-CG2 3.73Å
43Q71Confident81.4Confident204 Ų20470.7 Ų70.795%0.95339%0.39SS*.THydrogen-bonded Turntrans-63.6134.1171.5-71.4-179.7-13.100109.5
44G67.9Low81.2Confident42 Ų4272 Ų7243%0.43340%0.4SS..THydrogen-bonded Turntrans95.5-12.5177.700000116.3M46 V47G44-M46 PolarHBondContact O-N 3.14Å; G44-V47 VanDerWaalsContact O-CG2 3.26Å; G44-V47 WeakPolarHBondContact O-CG2 3.07Å; G44-V47 PolarHBondContact O-N 2.89Å
45V63.4Low81.1Confident66 Ų6671.4 Ų71.440%0.440%0.395SS..THydrogen-bonded Turntrans-64.2-16.2177-177.10000112.2H42 I66H42-V45 HydrophobicContact CB-CG2 3.73Å; V45-I66 HydrophobicContact CG1-CB 4.03Å; V45-I66 HydrophobicContact CG1-CD1 4.29Å; V45-I66 HydrophobicContact CG1-CG2 3.93Å
46M63.7Low81.1Confident8 Ų871.9 Ų71.94%0.03940%0.398CS..THydrogen-bonded Turntrans-104.915.2-178.8-59.9179.6174.300114.3P40 G44 G48 M49 Q51 Y55 L67P40-M46 HydrophobicContact CB-CE 3.51Å; P40-M46 HydrophobicContact CB-SD 4.12Å; P40-M46 HydrophobicContact CG-CE 3.59Å; P40-M46 HydrophobicContact CG-SD 3.89Å; G44-M46 PolarHBondContact O-N 3.14Å; M46-G48 PolarHBondContact O-N 3.15Å; M46-M49 PolarHBondContact O-N 2.93Å; M46-Q51 HydrophobicContact CB-CG 4.24Å; M46-Y55 HydrophobicContact CE-CD2 3.98Å; M46-Y55 HydrophobicContact CE-CE2 3.09Å; M46-Y55 WeakPolarHBondContact CE-OH 3.36Å; M46-Y55 HydrophobicContact SD-CE2 3.6Å; M46-Y55 VanDerWaalsContact SD-CE2 3.6Å; M46-Y55 PolarHBondContact SD-OH 3.19Å; M46-L67 HydrophobicContact CE-CD2 3.42Å; M46-L67 VanDerWaalsContact CE-CD2 3.42Å
47V61Low81.1Confident118 Ų11871.8 Ų71.872%0.71540%0.398SS*.THydrogen-bonded Turntrans-56.6114.8175.3173.40000108.8G44G44-V47 VanDerWaalsContact O-CG2 3.26Å; G44-V47 WeakPolarHBondContact O-CG2 3.07Å; G44-V47 PolarHBondContact O-N 2.89Å
48G65.7Low81.1Confident82 Ų8276 Ų7685%0.84542%0.42SS*.THydrogen-bonded Turntrans96.7-10.9-178.500000116.6M46M46-G48 PolarHBondContact O-N 3.15Å
49M63.5Low81Confident128 Ų12878.7 Ų78.763%0.63143%0.433SS*.SBendtrans-100.85.8-176.6-63-170.6101.800114.8M46M46-M49 PolarHBondContact O-N 2.93Å
50G64.7Low81Confident48 Ų4874.9 Ų74.950%0.49542%0.418SS..  trans77.7104-168.800000110.2K52 Y55G50-K52 PolarHBondContact O-N 2.8Å; G50-Y55 PolarHBondContact O-OH 3.46Å
51Q70.9Confident81.2Confident142 Ų14274.7 Ų74.766%0.66441%0.413SS*.  trans-73.891.7-178.6-73.1-178.3-20.900110M46M46-Q51 HydrophobicContact CB-CG 4.24Å
52K84.4Confident81.4Confident98 Ų9873.5 Ų73.543%0.42642%0.423SS..  trans-90142.5162.4-61.1-179.9-175.6170.40109.7G50 S54 Y55 E59G50-K52 PolarHBondContact O-N 2.8Å; K52-S54 VanDerWaalsContact C-N 3.26Å; K52-S54 PolarHBondContact O-N 3.35Å; K52-Y55 HydrophobicContact CB-CE1 4.26Å; K52-Y55 HydrophobicContact CB-CE2 4.09Å; K52-Y55 HydrophobicContact CD-CD1 4.44Å; K52-Y55 HydrophobicContact CD-CE1 4.09Å; K52-Y55 WeakPolarHBondContact O-CE2 3.34Å; K52-E59 IonicContact NZ-OE1 2.77Å; K52-E59 PolarHBondContact NZ-OE1 2.94Å; K52-E59 IonicContact NZ-OE2 3.28Å; K52-E59 PolarHBondContact NZ-OE2 3.06Å
53D88.4Confident81.9Confident146 Ų14669.2 Ų69.278%0.78140%0.403SS*.SBendtrans-70.5-25.7175.5-64.6-31.1000112.7
54S94.3Very high82.9Confident30 Ų3060.3 Ų60.321%0.2136%0.361CS..  trans-149154178.856.70000112.5G38 K52 K86G38-S54 CarbonylContact O-C 3.54Å; G38-S54 VanDerWaalsContact O-CA 3.32Å; G38-S54 WeakPolarHBondContact O-CA 3.3Å; K52-S54 VanDerWaalsContact C-N 3.26Å; K52-S54 PolarHBondContact O-N 3.35Å; S54-K86 WeakPolarHBondContact OG-CD 3.35Å
55Y96.1Very high83.9Confident5 Ų561.5 Ų61.52%0.0237%0.373CS..EExtended strand (participates in β ladder)trans-124.3149.4177.7-62.4-93000108.1V37 G38 M46 G50 K52 E59 K63 L67V37-Y55 CarbonylContact C-O 3.34Å; V37-Y55 WeakPolarHBondContact CA-O 3.18Å; G38-Y55 PolarHBondContact N-O 2.9Å; G38-Y55 PolarHBondContact O-N 3.15Å; M46-Y55 HydrophobicContact CE-CD2 3.98Å; M46-Y55 HydrophobicContact CE-CE2 3.09Å; M46-Y55 WeakPolarHBondContact CE-OH 3.36Å; M46-Y55 HydrophobicContact SD-CE2 3.6Å; M46-Y55 VanDerWaalsContact SD-CE2 3.6Å; M46-Y55 PolarHBondContact SD-OH 3.19Å; G50-Y55 PolarHBondContact O-OH 3.46Å; K52-Y55 HydrophobicContact CB-CE1 4.26Å; K52-Y55 HydrophobicContact CB-CE2 4.09Å; K52-Y55 HydrophobicContact CD-CD1 4.44Å; K52-Y55 HydrophobicContact CD-CE1 4.09Å; K52-Y55 WeakPolarHBondContact O-CE2 3.34Å; Y55-E59 VanDerWaalsContact CD1-CD 3.43Å; Y55-E59 HydrophobicContact CD1-CG 3.78Å; Y55-E59 VanDerWaalsContact CD1-OE1 3.23Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.35Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.26Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.31Å; Y55-K63 HydrophobicContact CD1-CD 3.99Å; Y55-K63 HydrophobicContact CE1-CD 3.96Å; Y55-L67 HydrophobicContact CD2-CD1 3.88Å; Y55-L67 HydrophobicContact CD2-CD2 3.92Å; Y55-L67 HydrophobicContact CE2-CD2 4.25Å; Y55-L67 HydrophobicContact CG-CD1 3.94Å
56V98Very high85.1Confident11 Ų1161.2 Ų61.27%0.06737%0.368CS..EExtended strand (participates in β ladder)trans-128.9151.8-177.8-176.90000109.7F33 I36 V37 E59 A60 K86 I87 H90F33-V56 HydrophobicContact CE2-CG1 4.28Å; I36-V56 WeakPolarHBondContact O-CA 3.4Å; V37-V56 HydrophobicContact CG2-CG2 4.4Å; V56-E59 WeakPolarHBondContact O-CB 3.38Å; V56-E59 PolarHBondContact O-N 3.5Å; V56-A60 PolarHBondContact O-N 3.18Å; V56-K86 HydrophobicContact CG2-CB 4.25Å; V56-I87 HydrophobicContact CG1-CG1 3.9Å; V56-H90 HydrophobicContact CB-CB 3.92Å; V56-H90 HydrophobicContact CG1-CB 3.67Å; V56-H90 VanDerWaalsContact CG1-CD2 3.5Å; V56-H90 WeakPolarHBondContact CG1-CD2 3.4Å; V56-H90 HydrophobicContact CG2-CB 4.25Å
57G97.7Very high86.5Confident0 Ų060.8 Ų60.80%037%0.367CS..Hα-helixtrans61.8-137168.300000114P34 I36 E59 A60 Q61P34-G57 WeakPolarHBondContact O-CA 3.49Å; I36-G57 PolarHBondContact O-N 2.81Å; I36-G57 VanDerWaalsContact O-N 3.15Å; G57-E59 PolarHBondContact O-N 3.3Å; G57-A60 WeakPolarHBondContact O-CB 3.5Å; G57-A60 PolarHBondContact O-N 2.91Å; G57-Q61 PolarHBondContact O-N 3.04Å
58D97.2Very high88.1Confident87 Ų8758.4 Ų58.447%0.46535%0.352SS..Hα-helixtrans-62.6-30.4-179.1-67.8-37.4000112.5P34 A60 Q61 S62P34-D58 WeakPolarHBondContact CD-OD1 3.45Å; D58-A60 VanDerWaalsContact C-N 3.34Å; D58-Q61 PolarHBondContact O-N 2.87Å; D58-S62 WeakPolarHBondContact O-CB 3.34Å; D58-S62 PolarHBondContact O-N 3.44Å; D58-S62 PolarHBondContact O-OG 3.05Å
59E95.3Very high89.5Confident58 Ų5855.9 Ų55.927%0.27132%0.319SS..Hα-helixtrans-65.5-39.1174.8-162-173.1174.800111.2K52 Y55 V56 G57 S62 K63K52-E59 IonicContact NZ-OE1 2.77Å; K52-E59 PolarHBondContact NZ-OE1 2.94Å; K52-E59 IonicContact NZ-OE2 3.28Å; K52-E59 PolarHBondContact NZ-OE2 3.06Å; Y55-E59 VanDerWaalsContact CD1-CD 3.43Å; Y55-E59 HydrophobicContact CD1-CG 3.78Å; Y55-E59 VanDerWaalsContact CD1-OE1 3.23Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.35Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.26Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.31Å; V56-E59 WeakPolarHBondContact O-CB 3.38Å; V56-E59 PolarHBondContact O-N 3.5Å; G57-E59 PolarHBondContact O-N 3.3Å; E59-S62 PolarHBondContact O-OG 3.31Å; E59-S62 VanDerWaalsContact O-OG 3.08Å; E59-K63 IonicContact OE1-NZ 3.67Å; E59-K63 PolarHBondContact OE1-NZ 2.55Å
60A96Very high91.1Very high0 Ų055 Ų550%031%0.312CS..Hα-helixtrans-70.9-41.3173.500000111.5I36 V56 G57 D58 K63 R64 L67 L69I36-A60 HydrophobicContact CD1-CB 4.05Å; I36-A60 HydrophobicContact CG1-CB 4.03Å; V56-A60 PolarHBondContact O-N 3.18Å; G57-A60 WeakPolarHBondContact O-CB 3.5Å; G57-A60 PolarHBondContact O-N 2.91Å; D58-A60 VanDerWaalsContact C-N 3.34Å; A60-K63 CarbonylContact O-C 3.55Å; A60-K63 PolarHBondContact O-N 2.88Å; A60-R64 PolarHBondContact O-N 2.72Å; A60-L67 HydrophobicContact CB-CD1 4.41Å; A60-L69 HydrophobicContact CB-CD2 4.01Å
61Q95Very high92.6Very high42 Ų4255.5 Ų55.520%0.19630%0.299CS..Hα-helixtrans-62.1-47.5-178.5-171.862.410.800112I36 G57 D58 K63 R64 E209I36-Q61 HydrophobicContact CD1-CB 3.98Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.25Å; G57-Q61 PolarHBondContact O-N 3.04Å; D58-Q61 PolarHBondContact O-N 2.87Å; Q61-K63 PolarHBondContact O-N 3.09Å; Q61-R64 VanDerWaalsContact O-CB 3.27Å; Q61-R64 WeakPolarHBondContact O-CB 3.42Å; Q61-R64 PolarHBondContact O-N 3.16Å; Q61-E209 VanDerWaalsContact NE2-CG 3.28Å; Q61-E209 PolarHBondContact NE2-OE1 3.27Å
62S93.2Very high93.9Very high95 Ų9548.8 Ų48.866%0.66427%0.268SS*.Hα-helixtrans-62.6-24178.657.10000113.4D58 E59D58-S62 WeakPolarHBondContact O-CB 3.34Å; D58-S62 PolarHBondContact O-N 3.44Å; D58-S62 PolarHBondContact O-OG 3.05Å; E59-S62 PolarHBondContact O-OG 3.31Å; E59-S62 VanDerWaalsContact O-OG 3.08Å
63K92.2Very high94.5Very high44 Ų4444.2 Ų44.219%0.19125%0.248CC..THydrogen-bonded Turntrans-102.813.7179.9-66.2173.7-179.7127.50113.3Y55 E59 A60 Q61 G65 I66 L67Y55-K63 HydrophobicContact CD1-CD 3.99Å; Y55-K63 HydrophobicContact CE1-CD 3.96Å; E59-K63 IonicContact OE1-NZ 3.67Å; E59-K63 PolarHBondContact OE1-NZ 2.55Å; A60-K63 CarbonylContact O-C 3.55Å; A60-K63 PolarHBondContact O-N 2.88Å; Q61-K63 PolarHBondContact O-N 3.09Å; K63-G65 PolarHBondContact O-N 3.4Å; K63-I66 HydrophobicContact CB-CD1 4.48Å; K63-I66 HydrophobicContact CB-CG1 4.18Å; K63-I66 VanDerWaalsContact O-CG1 3.28Å; K63-I66 WeakPolarHBondContact O-CG1 3.49Å; K63-I66 PolarHBondContact O-N 2.86Å; K63-L67 HydrophobicContact CB-CD1 3.54Å; K63-L67 HydrophobicContact CB-CG 3.81Å; K63-L67 WeakPolarHBondContact O-CG 3.31Å; K63-L67 PolarHBondContact O-N 2.97Å; K63-L67 VanDerWaalsContact O-N 3.13Å
64R92.2Very high94.8Very high17 Ų1742 Ų426%0.06423%0.233CC..THydrogen-bonded Turntrans-48.7-34.3-176.9178.3174.6-71.3-109.3-9.1114.9R41 A60 Q61 I66 L67 L69 Y71 T205 E209R41-R64 PolarHBondContact NH2-O 3.44Å; A60-R64 PolarHBondContact O-N 2.72Å; Q61-R64 VanDerWaalsContact O-CB 3.27Å; Q61-R64 WeakPolarHBondContact O-CB 3.42Å; Q61-R64 PolarHBondContact O-N 3.16Å; R64-I66 VanDerWaalsContact C-N 3.27Å; R64-I66 PolarHBondContact O-N 2.87Å; R64-L67 VanDerWaalsContact O-O 3.09Å; R64-L69 HydrophobicContact CB-CD1 3.81Å; R64-L69 HydrophobicContact CG-CD1 3.62Å; R64-L69 HydrophobicContact CG-CG 4.44Å; R64-L69 VanDerWaalsContact NE-CD1 3.28Å; R64-L69 VanDerWaalsContact NH2-CD1 3.26Å; R64-Y71 PolarHBondContact NH2-OH 3.32Å; R64-Y71 VanDerWaalsContact NH2-OH 3.16Å; R64-T205 WeakPolarHBondContact CD-O 3.44Å; R64-T205 PolarHBondContact NH1-O 3.32Å; R64-T205 VanDerWaalsContact NH1-O 3.08Å; R64-E209 IonicContact CZ-OE1 3.03Å; R64-E209 IonicContact NH1-OE1 3.65Å; R64-E209 IonicContact NH2-OE1 2.75Å; R64-E209 PolarHBondContact NH2-OE1 2.93Å
65G88.2Confident94.8Very high67 Ų6743.9 Ų43.969%0.69124%0.238SC*.THydrogen-bonded Turntrans-63.1-29.3179.600000114.4K63K63-G65 PolarHBondContact O-N 3.4Å
66I90Very high94.7Very high59 Ų5944.3 Ų44.330%0.30324%0.244SC..THydrogen-bonded Turntrans-112.3-6.5-177.860.8170.1000113.4R41 V45 K63 R64R41-I66 PolarHBondContact N-O 3.42Å; R41-I66 VanDerWaalsContact N-O 3.09Å; V45-I66 HydrophobicContact CG1-CB 4.03Å; V45-I66 HydrophobicContact CG1-CD1 4.29Å; V45-I66 HydrophobicContact CG1-CG2 3.93Å; K63-I66 HydrophobicContact CB-CD1 4.48Å; K63-I66 HydrophobicContact CB-CG1 4.18Å; K63-I66 VanDerWaalsContact O-CG1 3.28Å; K63-I66 WeakPolarHBondContact O-CG1 3.49Å; K63-I66 PolarHBondContact O-N 2.86Å; R64-I66 VanDerWaalsContact C-N 3.27Å; R64-I66 PolarHBondContact O-N 2.87Å
67L92.6Very high94.7Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-106.6148.9179.8-57.7-176.1000112R39 P40 R41 M46 Y55 A60 K63 R64 L69R39-L67 CarbonylContact O-C 3.45Å; R39-L67 VanDerWaalsContact O-CA 3.31Å; R39-L67 WeakPolarHBondContact O-CA 3.47Å; P40-L67 HydrophobicContact CB-CD2 4.4Å; R41-L67 PolarHBondContact NE-O 3.37Å; R41-L67 PolarHBondContact NH2-O 3.14Å; M46-L67 HydrophobicContact CE-CD2 3.42Å; M46-L67 VanDerWaalsContact CE-CD2 3.42Å; Y55-L67 HydrophobicContact CD2-CD1 3.88Å; Y55-L67 HydrophobicContact CD2-CD2 3.92Å; Y55-L67 HydrophobicContact CE2-CD2 4.25Å; Y55-L67 HydrophobicContact CG-CD1 3.94Å; A60-L67 HydrophobicContact CB-CD1 4.41Å; K63-L67 HydrophobicContact CB-CD1 3.54Å; K63-L67 HydrophobicContact CB-CG 3.81Å; K63-L67 WeakPolarHBondContact O-CG 3.31Å; K63-L67 PolarHBondContact O-N 2.97Å; K63-L67 VanDerWaalsContact O-N 3.13Å; R64-L67 VanDerWaalsContact O-O 3.09Å; L67-L69 HydrophobicContact CB-CD2 3.83Å; L67-L69 HydrophobicContact CD1-CD2 4.29Å
68T94Very high94.7Very high67 Ų6745.8 Ų45.841%0.41125%0.251SS..EExtended strand (participates in β ladder)trans-88.4116.3157.9-62.30000107.3G38 R39 R41G38-T68 WeakPolarHBondContact CA-O 3.19Å; R39-T68 PolarHBondContact N-O 3.44Å; R39-T68 PolarHBondContact O-N 3.13Å; R41-T68 WeakPolarHBondContact CG-OG1 3.32Å
69L95.4Very high94.7Very high30 Ų3045.2 Ų45.216%0.15725%0.251CS..EExtended strand (participates in β ladder)trans-94.5137.6-179.7-56.3-177.1000110.4I36 A60 R64 L67I36-L69 HydrophobicContact CD1-CD1 4.22Å; A60-L69 HydrophobicContact CB-CD2 4.01Å; R64-L69 HydrophobicContact CB-CD1 3.81Å; R64-L69 HydrophobicContact CG-CD1 3.62Å; R64-L69 HydrophobicContact CG-CG 4.44Å; R64-L69 VanDerWaalsContact NE-CD1 3.28Å; R64-L69 VanDerWaalsContact NH2-CD1 3.26Å; L67-L69 HydrophobicContact CB-CD2 3.83Å; L67-L69 HydrophobicContact CD1-CD2 4.29Å
70K96.8Very high94.8Very high109 Ų10944.7 Ų44.747%0.47425%0.25SS..EExtended strand (participates in β ladder)trans-126.1150.8174.6-68.7-168.9174.3-172.30110.2I36 V37I36-K70 WeakPolarHBondContact CA-O 3.49Å; V37-K70 PolarHBondContact N-O 2.88Å; V37-K70 PolarHBondContact O-N 3.35Å
71Y96.3Very high94.9Very high59 Ų5946.9 Ų46.923%0.23126%0.259CS..  trans-114.4110179.4-62.2-99.7000107.1I36 R64 I73I36-Y71 HydrophobicContact CG2-CD1 3.45Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.45Å; I36-Y71 HydrophobicContact CG2-CE1 3.24Å; I36-Y71 HydrophobicContact CG2-CE2 4.41Å; I36-Y71 HydrophobicContact CG2-CG 4.15Å; R64-Y71 PolarHBondContact NH2-OH 3.32Å; R64-Y71 VanDerWaalsContact NH2-OH 3.16Å; Y71-I73 PolarHBondContact O-N 3.12Å
72P97.8Very high95Very high1 Ų150.1 Ų50.11%0.00628%0.277CS..SBendtrans-76.9-7.4-177.128.1-31.2000113.9S35 I78 T79 N80 D83 M84 I87S35-P72 WeakPolarHBondContact O-CD 3.42Å; P72-I78 CarbonylContact O-C 3.54Å; P72-I78 WeakPolarHBondContact O-CA 3.36Å; P72-T79 PolarHBondContact O-N 3.15Å; P72-T79 PolarHBondContact O-OG1 3.21Å; P72-N80 HydrophobicContact CB-CB 4.11Å; P72-N80 WeakPolarHBondContact CB-O 3.28Å; P72-N80 PolarHBondContact O-N 3.48Å; P72-D83 HydrophobicContact CB-CB 3.81Å; P72-D83 HydrophobicContact CG-CB 4.25Å; P72-M84 HydrophobicContact CB-CB 4.45Å; P72-M84 HydrophobicContact CG-SD 4.3Å; P72-I87 HydrophobicContact CG-CD1 3.32Å; P72-I87 HydrophobicContact CG-CG1 4.4Å
73I97.7Very high95.3Very high2 Ų245.6 Ų45.61%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-119.3119.2177.1-51.5176.7000108.5N14 S16 Y71 I77 I78 M84N14-I73 HydrophobicContact CB-CD1 4.13Å; S16-I73 VanDerWaalsContact OG-CG2 3.32Å; S16-I73 WeakPolarHBondContact OG-CG2 3.38Å; Y71-I73 PolarHBondContact O-N 3.12Å; I73-I77 CarbonylContact C-O 3.59Å; I73-I77 VanDerWaalsContact CA-O 3.31Å; I73-I77 WeakPolarHBondContact CA-O 3.32Å; I73-I78 HydrophobicContact CD1-CG1 4.47Å; I73-I78 HydrophobicContact CG1-CG1 4Å; I73-M84 HydrophobicContact CD1-CE 4.17Å; I73-M84 HydrophobicContact CD1-SD 3.83Å; I73-M84 HydrophobicContact CG1-SD 3.9Å
74E94.7Very high95.6Very high98 Ų9843.5 Ų43.546%0.45824%0.237SC..EExtended strand (participates in β ladder)trans-118.8126.3178-66.4175.2-147.300109.1G76 I77 T79E74-G76 PolarHBondContact O-N 3.43Å; E74-G76 VanDerWaalsContact O-N 3.16Å; E74-I77 PolarHBondContact N-O 3.37Å; E74-I77 PolarHBondContact O-N 3.45Å; E74-T79 HydrophobicContact CB-CG2 4Å; E74-T79 HydrophobicContact CG-CG2 4.32Å; E74-T79 PolarHBondContact OE1-OG1 2.81Å
75H94.4Very high95.9Very high70 Ų7045.1 Ų45.132%0.32425%0.245SC..THydrogen-bonded Turntrans46.644.8-177.4-47.3108.3000113.7I77 G160 V161 R179H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 3.03Å; H75-G160 WeakPolarHBondContact CA-O 3.26Å; H75-G160 PolarHBondContact CD2-O 3.16Å; H75-V161 HydrophobicContact CB-CB 4.33Å; H75-R179 PolarHBondContact O-NH2 2.64Å
76G94.2Very high96.4Very high14 Ų1444.9 Ų44.914%0.14423%0.225CC..THydrogen-bonded Turntrans78.5-2.7-179.100000116.1S16 E74S16-G76 WeakPolarHBondContact OG-CA 3.4Å; S16-G76 PolarHBondContact OG-N 2.84Å; E74-G76 PolarHBondContact O-N 3.43Å; E74-G76 VanDerWaalsContact O-N 3.16Å
77I96.9Very high96.8Very high26 Ų2642 Ų4213%0.13321%0.21CC..EExtended strand (participates in β ladder)trans-109.7131.3-176.7-55.3-56.3000110.4I73 E74 H75 T79 N117I73-I77 CarbonylContact C-O 3.59Å; I73-I77 VanDerWaalsContact CA-O 3.31Å; I73-I77 WeakPolarHBondContact CA-O 3.32Å; E74-I77 PolarHBondContact N-O 3.37Å; E74-I77 PolarHBondContact O-N 3.45Å; H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 3.03Å; I77-T79 PolarHBondContact O-N 2.75Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.35Å
78I97.9Very high97.1Very high16 Ų1642 Ų428%0.08221%0.21CC..EExtended strand (participates in β ladder)trans-67.9118.7171.2-61.7161000108.7P72 I73 W81 M84 W88 N117 M121P72-I78 CarbonylContact O-C 3.54Å; P72-I78 WeakPolarHBondContact O-CA 3.36Å; I73-I78 HydrophobicContact CD1-CG1 4.47Å; I73-I78 HydrophobicContact CG1-CG1 4Å; I78-W81 HydrophobicContact CB-CH2 4.07Å; I78-W81 HydrophobicContact CB-CZ2 4.09Å; I78-W81 HydrophobicContact CB-CZ3 4.4Å; I78-W81 HydrophobicContact CD1-CH2 3.72Å; I78-W81 HydrophobicContact CD1-CZ3 3.7Å; I78-W81 HydrophobicContact CG2-CD2 3.79Å; I78-W81 HydrophobicContact CG2-CE3 3.84Å; I78-W81 HydrophobicContact CG2-CG 4.4Å; I78-W81 HydrophobicContact CG2-CH2 4.08Å; I78-W81 HydrophobicContact CG2-CZ2 4.01Å; I78-W81 HydrophobicContact CG2-CZ3 4.01Å; I78-M84 HydrophobicContact CD1-CG 3.95Å; I78-M84 HydrophobicContact CD1-SD 4.39Å; I78-M84 HydrophobicContact CG1-CG 4.21Å; I78-M84 HydrophobicContact CG1-SD 4.23Å; I78-M84 HydrophobicContact CG2-CB 3.97Å; I78-M84 HydrophobicContact CG2-CG 4.2Å; I78-W88 HydrophobicContact CD1-CH2 4.17Å; I78-W88 HydrophobicContact CD1-CZ2 4.19Å; I78-N117 PolarHBondContact O-ND2 3.04Å; I78-N117 VanDerWaalsContact O-ND2 3.12Å; I78-M121 HydrophobicContact CD1-CG 4.16Å; I78-M121 HydrophobicContact CD1-SD 4.1Å
79T97.1Very high97.3Very high75 Ų7543.4 Ų43.446%0.4621%0.212SC..  trans-108.1-17.7178.157.80000112.6P72 E74 I77P72-T79 PolarHBondContact O-N 3.15Å; P72-T79 PolarHBondContact O-OG1 3.21Å; E74-T79 HydrophobicContact CB-CG2 4Å; E74-T79 HydrophobicContact CG-CG2 4.32Å; E74-T79 PolarHBondContact OE1-OG1 2.81Å; I77-T79 PolarHBondContact O-N 2.75Å
80N98.2Very high97.4Very high48 Ų4842.8 Ų42.826%0.25721%0.208SC..  trans-133.7102.9178.1-172.8-36.3000111.4P72 D82 D83 M84P72-N80 HydrophobicContact CB-CB 4.11Å; P72-N80 WeakPolarHBondContact CB-O 3.28Å; P72-N80 PolarHBondContact O-N 3.48Å; N80-D82 PolarHBondContact OD1-N 3.41Å; N80-D83 HydrophobicContact CB-CB 4.3Å; N80-D83 PolarHBondContact OD1-N 3.44Å; N80-M84 WeakPolarHBondContact O-CB 3.26Å; N80-M84 PolarHBondContact O-N 2.83Å
81W98.2Very high97.5Very high46 Ų4637.6 Ų37.617%0.17419%0.185CC..Hα-helixtrans-70-40-177.5-67.3102.1000113.2I78 D83 M84 E85 W88 N117 K120 M121 I124I78-W81 HydrophobicContact CB-CH2 4.07Å; I78-W81 HydrophobicContact CB-CZ2 4.09Å; I78-W81 HydrophobicContact CB-CZ3 4.4Å; I78-W81 HydrophobicContact CD1-CH2 3.72Å; I78-W81 HydrophobicContact CD1-CZ3 3.7Å; I78-W81 HydrophobicContact CG2-CD2 3.79Å; I78-W81 HydrophobicContact CG2-CE3 3.84Å; I78-W81 HydrophobicContact CG2-CG 4.4Å; I78-W81 HydrophobicContact CG2-CH2 4.08Å; I78-W81 HydrophobicContact CG2-CZ2 4.01Å; I78-W81 HydrophobicContact CG2-CZ3 4.01Å; W81-D83 PolarHBondContact O-N 2.84Å; W81-M84 PolarHBondContact O-N 3.38Å; W81-M84 VanDerWaalsContact O-N 3.1Å; W81-E85 WeakPolarHBondContact O-CG 3.44Å; W81-E85 PolarHBondContact O-N 3.29Å; W81-W88 AromaticContact CZ3-CH2 3.97Å; W81-W88 HydrophobicContact CZ3-CH2 3.97Å; W81-W88 HydrophobicContact CZ3-CZ3 4.39Å; W81-N117 HydrophobicContact CH2-CB 4.17Å; W81-N117 VanDerWaalsContact CH2-O 3.3Å; W81-N117 WeakPolarHBondContact CH2-O 3.15Å; W81-N117 HydrophobicContact CZ2-CB 3.83Å; W81-K120 HydrophobicContact CD2-CB 4.2Å; W81-K120 HydrophobicContact CD2-CG 3.39Å; W81-K120 VanDerWaalsContact CE2-CG 3.49Å; W81-K120 HydrophobicContact CE3-CB 4.32Å; W81-K120 HydrophobicContact CE3-CG 3.63Å; W81-K120 HydrophobicContact CG-CG 3.89Å; W81-K120 HydrophobicContact CH2-CB 3.82Å; W81-K120 HydrophobicContact CH2-CG 4.04Å; W81-K120 HydrophobicContact CZ2-CB 3.69Å; W81-K120 HydrophobicContact CZ2-CG 3.85Å; W81-K120 HydrophobicContact CZ3-CB 4.11Å; W81-K120 HydrophobicContact CZ3-CG 3.91Å; W81-M121 HydrophobicContact CH2-CG 3.63Å; W81-M121 HydrophobicContact CZ3-CG 3.71Å; W81-I124 HydrophobicContact CD2-CD1 4.28Å; W81-I124 HydrophobicContact CE3-CD1 3.44Å; W81-I124 VanDerWaalsContact CE3-CD1 3.44Å; W81-I124 HydrophobicContact CZ3-CD1 4.04Å
82D98Very high97.6Very high109 Ų10934.8 Ų34.858%0.58317%0.174SC*.Hα-helixtrans-61.2-34.7178.6-61.7-7.6000112.1N80 K86N80-D82 PolarHBondContact OD1-N 3.41Å; D82-K86 WeakPolarHBondContact O-CG 3.08Å; D82-K86 PolarHBondContact O-NZ 3.46Å
83D98.3Very high97.6Very high1 Ų139.2 Ų39.21%0.00519%0.192CC..Hα-helixtrans-81.7-31.9176.7-77.4-5000111.6V37 R39 P72 N80 W81 K86 I87V37-D83 HydrophobicContact CB-CB 4.27Å; V37-D83 HydrophobicContact CG2-CB 3.79Å; R39-D83 IonicContact CZ-OD1 3.21Å; R39-D83 VanDerWaalsContact CZ-OD1 3.27Å; R39-D83 IonicContact CZ-OD2 2.74Å; R39-D83 IonicContact NH1-OD1 3.23Å; R39-D83 PolarHBondContact NH1-OD1 3.07Å; R39-D83 IonicContact NH1-OD2 2.8Å; R39-D83 PolarHBondContact NH1-OD2 3.29Å; R39-D83 IonicContact NH2-OD1 3.22Å; R39-D83 PolarHBondContact NH2-OD1 3.3Å; R39-D83 IonicContact NH2-OD2 2.81Å; P72-D83 HydrophobicContact CB-CB 3.81Å; P72-D83 HydrophobicContact CG-CB 4.25Å; N80-D83 HydrophobicContact CB-CB 4.3Å; N80-D83 PolarHBondContact OD1-N 3.44Å; W81-D83 PolarHBondContact O-N 2.84Å; D83-K86 PolarHBondContact O-N 3.35Å; D83-K86 IonicContact OD1-NZ 3.72Å; D83-K86 PolarHBondContact OD1-NZ 2.72Å; D83-I87 WeakPolarHBondContact O-CG1 3.43Å; D83-I87 PolarHBondContact O-N 2.95Å; D83-I87 VanDerWaalsContact O-N 3.08Å
84M98.3Very high97.6Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-66.5-40172.5-163.566.1-150.600112.4N14 P72 I73 I78 N80 W81 K86 I87 W88N14-M84 HydrophobicContact CB-CE 4.23Å; N14-M84 WeakPolarHBondContact OD1-CE 3.49Å; P72-M84 HydrophobicContact CB-CB 4.45Å; P72-M84 HydrophobicContact CG-SD 4.3Å; I73-M84 HydrophobicContact CD1-CE 4.17Å; I73-M84 HydrophobicContact CD1-SD 3.83Å; I73-M84 HydrophobicContact CG1-SD 3.9Å; I78-M84 HydrophobicContact CD1-CG 3.95Å; I78-M84 HydrophobicContact CD1-SD 4.39Å; I78-M84 HydrophobicContact CG1-CG 4.21Å; I78-M84 HydrophobicContact CG1-SD 4.23Å; I78-M84 HydrophobicContact CG2-CB 3.97Å; I78-M84 HydrophobicContact CG2-CG 4.2Å; N80-M84 WeakPolarHBondContact O-CB 3.26Å; N80-M84 PolarHBondContact O-N 2.83Å; W81-M84 PolarHBondContact O-N 3.38Å; W81-M84 VanDerWaalsContact O-N 3.1Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 3.37Å; M84-I87 HydrophobicContact CE-CB 4.38Å; M84-I87 HydrophobicContact CE-CG2 3.9Å; M84-I87 WeakPolarHBondContact O-CA 3.06Å; M84-I87 WeakPolarHBondContact O-CB 3.34Å; M84-I87 PolarHBondContact O-N 3.46Å; M84-I87 VanDerWaalsContact O-N 3.08Å; M84-I87 HydrophobicContact SD-CB 4.49Å; M84-I87 HydrophobicContact SD-CD1 4.47Å; M84-W88 HydrophobicContact CE-CD2 4.1Å; M84-W88 HydrophobicContact CE-CG 4.33Å; M84-W88 HydrophobicContact CE-CZ2 3.76Å; M84-W88 HydrophobicContact CG-CD2 4.04Å; M84-W88 HydrophobicContact CG-CE3 4.06Å; M84-W88 HydrophobicContact CG-CH2 3.72Å; M84-W88 HydrophobicContact CG-CZ2 3.68Å; M84-W88 HydrophobicContact CG-CZ3 3.91Å; M84-W88 PolarHBondContact O-N 3.23Å
85E98.3Very high97.8Very high50 Ų5041.5 Ų41.523%0.23421%0.205CC..Hα-helixtrans-59-41.1173.7-77.3-179-144.500111.7W81 I87 W88 H89 I124W81-E85 WeakPolarHBondContact O-CG 3.44Å; W81-E85 PolarHBondContact O-N 3.29Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.36Å; E85-W88 PolarHBondContact O-N 2.93Å; E85-H89 WeakPolarHBondContact O-CB 3.47Å; E85-H89 PolarHBondContact O-N 3.47Å; E85-I124 HydrophobicContact CG-CD1 3.85Å; E85-I124 HydrophobicContact CG-CG1 4.22Å; E85-I124 HydrophobicContact CG-CG2 3.72Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.21Å; E85-I124 WeakPolarHBondContact OE1-CG1 3.12Å
86K98.3Very high98Very high62 Ų6239 Ų3927%0.2719%0.193SC..Hα-helixtrans-64-38.3173.7-68178.7-164.876.70112.3V37 S54 V56 D82 D83 M84 H90V37-K86 HydrophobicContact CG1-CD 4.14Å; V37-K86 HydrophobicContact CG2-CB 4.46Å; S54-K86 WeakPolarHBondContact OG-CD 3.35Å; V56-K86 HydrophobicContact CG2-CB 4.25Å; D82-K86 WeakPolarHBondContact O-CG 3.08Å; D82-K86 PolarHBondContact O-NZ 3.46Å; D83-K86 PolarHBondContact O-N 3.35Å; D83-K86 IonicContact OD1-NZ 3.72Å; D83-K86 PolarHBondContact OD1-NZ 2.72Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 3.37Å; K86-H90 WeakPolarHBondContact O-CB 3.16Å; K86-H90 PolarHBondContact O-N 2.88Å
87I98.6Very high98.2Very high0 Ų048.3 Ų48.30%022%0.224CC..Hα-helixtrans-62.5-48.7174.9-74.1-178.2000110.5V19 F33 V37 V56 P72 D83 M84 E85 H89 H90 T91V19-I87 HydrophobicContact CG2-CG2 3.66Å; F33-I87 HydrophobicContact CE2-CG2 4.16Å; F33-I87 HydrophobicContact CZ-CG2 4.22Å; V37-I87 HydrophobicContact CG2-CD1 4.35Å; V37-I87 HydrophobicContact CG2-CG1 3.95Å; V56-I87 HydrophobicContact CG1-CG1 3.9Å; P72-I87 HydrophobicContact CG-CD1 3.32Å; P72-I87 HydrophobicContact CG-CG1 4.4Å; D83-I87 WeakPolarHBondContact O-CG1 3.43Å; D83-I87 PolarHBondContact O-N 2.95Å; D83-I87 VanDerWaalsContact O-N 3.08Å; M84-I87 HydrophobicContact CE-CB 4.38Å; M84-I87 HydrophobicContact CE-CG2 3.9Å; M84-I87 WeakPolarHBondContact O-CA 3.06Å; M84-I87 WeakPolarHBondContact O-CB 3.34Å; M84-I87 PolarHBondContact O-N 3.46Å; M84-I87 VanDerWaalsContact O-N 3.08Å; M84-I87 HydrophobicContact SD-CB 4.49Å; M84-I87 HydrophobicContact SD-CD1 4.47Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.36Å; I87-H89 PolarHBondContact O-N 2.87Å; I87-H90 WeakPolarHBondContact O-CB 3.24Å; I87-H90 PolarHBondContact O-N 3.34Å; I87-H90 VanDerWaalsContact O-N 3.16Å; I87-T91 PolarHBondContact O-N 3.4Å; I87-T91 PolarHBondContact O-OG1 2.97Å
88W98.6Very high98.2Very high0 Ų048.2 Ų48.20%023%0.225CC..Hα-helixtrans-65.4-40178.5-70.3-38.7000113N14 I78 W81 M84 E85 H90 T91 F92 L107 M121 I124 M125 F129N14-W88 PolarHBondContact OD1-NE1 2.93Å; I78-W88 HydrophobicContact CD1-CH2 4.17Å; I78-W88 HydrophobicContact CD1-CZ2 4.19Å; W81-W88 AromaticContact CZ3-CH2 3.97Å; W81-W88 HydrophobicContact CZ3-CH2 3.97Å; W81-W88 HydrophobicContact CZ3-CZ3 4.39Å; M84-W88 HydrophobicContact CE-CD2 4.1Å; M84-W88 HydrophobicContact CE-CG 4.33Å; M84-W88 HydrophobicContact CE-CZ2 3.76Å; M84-W88 HydrophobicContact CG-CD2 4.04Å; M84-W88 HydrophobicContact CG-CE3 4.06Å; M84-W88 HydrophobicContact CG-CH2 3.72Å; M84-W88 HydrophobicContact CG-CZ2 3.68Å; M84-W88 HydrophobicContact CG-CZ3 3.91Å; M84-W88 PolarHBondContact O-N 3.23Å; E85-W88 PolarHBondContact O-N 2.93Å; W88-H90 VanDerWaalsContact C-N 3.28Å; W88-H90 PolarHBondContact O-N 3.34Å; W88-T91 WeakPolarHBondContact O-CB 3.49Å; W88-T91 PolarHBondContact O-N 3.49Å; W88-T91 VanDerWaalsContact O-N 3.15Å; W88-F92 HydrophobicContact CB-CD2 4.44Å; W88-F92 HydrophobicContact CB-CE2 4Å; W88-F92 WeakPolarHBondContact O-CD2 3.28Å; W88-F92 WeakPolarHBondContact O-CG 3.06Å; W88-F92 PolarHBondContact O-N 3.32Å; W88-L107 HydrophobicContact CZ2-CD2 3.92Å; W88-M121 HydrophobicContact CH2-CB 4.45Å; W88-M121 HydrophobicContact CH2-CG 4Å; W88-M121 HydrophobicContact CZ2-CG 4.49Å; W88-I124 HydrophobicContact CE3-CG2 3.87Å; W88-I124 HydrophobicContact CZ3-CB 4.21Å; W88-I124 HydrophobicContact CZ3-CD1 3.96Å; W88-I124 HydrophobicContact CZ3-CG2 3.75Å; W88-M125 HydrophobicContact CB-CE 4.31Å; W88-M125 HydrophobicContact CD2-CE 3.29Å; W88-M125 HydrophobicContact CE3-CE 3.48Å; W88-M125 VanDerWaalsContact CE3-CE 3.48Å; W88-M125 HydrophobicContact CG-CE 3.71Å; W88-M125 HydrophobicContact CH2-CE 4.09Å; W88-M125 HydrophobicContact CZ2-CE 3.97Å; W88-M125 HydrophobicContact CZ3-CE 3.87Å; W88-F129 HydrophobicContact CB-CE2 3.7Å; W88-F129 HydrophobicContact CB-CZ 3.66Å; W88-F129 HydrophobicContact CE3-CE2 4.08Å
89H98.4Very high98.2Very high95 Ų9548.5 Ų48.544%0.4423%0.23SC..Hα-helixtrans-56.9-45.4171.6-176.8-64.5000110.9E85 I87 F92 Y93 F129E85-H89 WeakPolarHBondContact O-CB 3.47Å; E85-H89 PolarHBondContact O-N 3.47Å; I87-H89 PolarHBondContact O-N 2.87Å; H89-F92 PolarHBondContact O-N 2.61Å; H89-Y93 HydrophobicContact CB-CD2 4.42Å; H89-Y93 AromaticContact CD2-CD2 3.63Å; H89-Y93 AromaticContact CD2-CE2 3.7Å; H89-Y93 AromaticContact CE1-CD2 3.47Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.47Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.32Å; H89-Y93 AromaticContact CG-CD2 3.66Å; H89-Y93 AromaticContact ND1-CD2 3.57Å; H89-Y93 AromaticContact NE2-CD2 3.54Å; H89-Y93 AromaticContact NE2-CE2 3.8Å; H89-Y93 WeakPolarHBondContact O-CB 3.21Å; H89-Y93 VanDerWaalsContact O-CD2 3.26Å; H89-Y93 WeakPolarHBondContact O-CD2 3.22Å; H89-Y93 PolarHBondContact O-N 3.07Å; H89-F129 HydrophobicContact CB-CE1 4.06Å; H89-F129 HydrophobicContact CB-CZ 4.22Å
90H98.4Very high98.2Very high17 Ų1745 Ų458%0.07921%0.208CC..Iπ-helixtrans-62.1-44175.4-177.269.3000112.1F33 V56 K86 I87 W88 F92 N94 E95F33-H90 AromaticContact CE2-CD2 3.71Å; F33-H90 AromaticContact CZ-CD2 3.93Å; V56-H90 HydrophobicContact CB-CB 3.92Å; V56-H90 HydrophobicContact CG1-CB 3.67Å; V56-H90 VanDerWaalsContact CG1-CD2 3.5Å; V56-H90 WeakPolarHBondContact CG1-CD2 3.4Å; V56-H90 HydrophobicContact CG2-CB 4.25Å; K86-H90 WeakPolarHBondContact O-CB 3.16Å; K86-H90 PolarHBondContact O-N 2.88Å; I87-H90 WeakPolarHBondContact O-CB 3.24Å; I87-H90 PolarHBondContact O-N 3.34Å; I87-H90 VanDerWaalsContact O-N 3.16Å; W88-H90 VanDerWaalsContact C-N 3.28Å; W88-H90 PolarHBondContact O-N 3.34Å; H90-F92 PolarHBondContact O-N 3.09Å; H90-N94 WeakPolarHBondContact ND1-CB 3.29Å; H90-N94 PolarHBondContact ND1-OD1 2.77Å; H90-N94 WeakPolarHBondContact O-CA 3.31Å; H90-N94 VanDerWaalsContact O-CB 3.3Å; H90-N94 WeakPolarHBondContact O-CB 3.36Å; H90-N94 PolarHBondContact O-N 2.8Å; H90-E95 IonicContact CE1-OE1 2.75Å; H90-E95 IonicContact NE2-OE1 3.82Å; H90-E95 PolarHBondContact NE2-OE1 3.15Å; H90-E95 PolarHBondContact O-N 3.13Å
91T98.7Very high98.2Very high0 Ų047.2 Ų47.20%022%0.217CC..Iπ-helixtrans-53.6-53.4174.7-55.80000111.5A21 F33 I87 W88 E95 L96A21-T91 HydrophobicContact CB-CG2 3.31Å; F33-T91 VanDerWaalsContact CZ-OG1 3.31Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.31Å; I87-T91 PolarHBondContact O-N 3.4Å; I87-T91 PolarHBondContact O-OG1 2.97Å; W88-T91 WeakPolarHBondContact O-CB 3.49Å; W88-T91 PolarHBondContact O-N 3.49Å; W88-T91 VanDerWaalsContact O-N 3.15Å; T91-E95 WeakPolarHBondContact O-CB 3.49Å; T91-L96 HydrophobicContact CG2-CD1 4.21Å; T91-L96 HydrophobicContact CG2-CG 4.45Å; T91-L96 WeakPolarHBondContact O-CB 3.35Å; T91-L96 WeakPolarHBondContact O-CG 3.39Å; T91-L96 PolarHBondContact O-N 3.3Å
92F98.7Very high98.2Very high0 Ų050.6 Ų50.60%024%0.235CC..Iπ-helixtrans-72.2-51.2-174.3-59.5-48.6000112.1L10 W88 H89 H90 L96 R97 V98 P100 T105 M125 F129L10-F92 HydrophobicContact CD1-CD1 3.77Å; L10-F92 HydrophobicContact CD1-CE1 3.81Å; W88-F92 HydrophobicContact CB-CD2 4.44Å; W88-F92 HydrophobicContact CB-CE2 4Å; W88-F92 WeakPolarHBondContact O-CD2 3.28Å; W88-F92 WeakPolarHBondContact O-CG 3.06Å; W88-F92 PolarHBondContact O-N 3.32Å; H89-F92 PolarHBondContact O-N 2.61Å; H90-F92 PolarHBondContact O-N 3.09Å; F92-L96 CarbonylContact O-C 3.58Å; F92-R97 WeakPolarHBondContact O-CA 3.43Å; F92-R97 PolarHBondContact O-N 2.83Å; F92-V98 PolarHBondContact O-N 3.45Å; F92-P100 HydrophobicContact CB-CB 4.38Å; F92-P100 HydrophobicContact CB-CG 4.28Å; F92-P100 HydrophobicContact CD1-CB 4.23Å; F92-P100 HydrophobicContact CD2-CB 3.81Å; F92-P100 HydrophobicContact CD2-CG 3.97Å; F92-P100 HydrophobicContact CE1-CB 4.48Å; F92-P100 HydrophobicContact CE2-CB 4.07Å; F92-P100 HydrophobicContact CG-CB 3.89Å; F92-P100 HydrophobicContact CG-CG 4.2Å; F92-P100 HydrophobicContact CZ-CB 4.4Å; F92-T105 HydrophobicContact CE1-CG2 4.3Å; F92-T105 HydrophobicContact CZ-CG2 4.17Å; F92-M125 HydrophobicContact CE2-CE 4.42Å; F92-M125 HydrophobicContact CE2-SD 4.37Å; F92-M125 HydrophobicContact CZ-CE 4.37Å; F92-M125 HydrophobicContact CZ-SD 4.18Å; F92-F129 AromaticContact CD2-CD1 3.75Å; F92-F129 HydrophobicContact CD2-CD1 3.75Å; F92-F129 AromaticContact CD2-CE1 3.9Å; F92-F129 HydrophobicContact CD2-CE1 3.9Å; F92-F129 HydrophobicContact CD2-CG 4.18Å; F92-F129 HydrophobicContact CD2-CZ 4.45Å; F92-F129 HydrophobicContact CE2-CB 4.4Å; F92-F129 AromaticContact CE2-CD1 3.92Å; F92-F129 HydrophobicContact CE2-CD1 3.92Å; F92-F129 HydrophobicContact CE2-CD2 4.1Å; F92-F129 HydrophobicContact CE2-CE1 4.2Å; F92-F129 HydrophobicContact CE2-CE2 4.37Å; F92-F129 AromaticContact CE2-CG 3.87Å; F92-F129 HydrophobicContact CE2-CG 3.87Å; F92-F129 HydrophobicContact CE2-CZ 4.42Å
93Y98.3Very high98.2Very high94 Ų9446.3 Ų46.337%0.36921%0.211SC..Iπ-helixtrans-91.3-28.1-167.5-62.8-73.1000114.4H89 P100 F129H89-Y93 HydrophobicContact CB-CD2 4.42Å; H89-Y93 AromaticContact CD2-CD2 3.63Å; H89-Y93 AromaticContact CD2-CE2 3.7Å; H89-Y93 AromaticContact CE1-CD2 3.47Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.47Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.32Å; H89-Y93 AromaticContact CG-CD2 3.66Å; H89-Y93 AromaticContact ND1-CD2 3.57Å; H89-Y93 AromaticContact NE2-CD2 3.54Å; H89-Y93 AromaticContact NE2-CE2 3.8Å; H89-Y93 WeakPolarHBondContact O-CB 3.21Å; H89-Y93 VanDerWaalsContact O-CD2 3.26Å; H89-Y93 WeakPolarHBondContact O-CD2 3.22Å; H89-Y93 PolarHBondContact O-N 3.07Å; Y93-P100 HydrophobicContact CE2-CG 4.35Å; Y93-P100 WeakPolarHBondContact OH-CD 2.98Å; Y93-F129 HydrophobicContact CE2-CE1 4.43Å
94N97.6Very high98.1Very high78 Ų7847.2 Ų47.242%0.41722%0.217SC..Iπ-helixtrans-100.3-48.3-177.7-63.4102.9000112.4H90 R97H90-N94 WeakPolarHBondContact ND1-CB 3.29Å; H90-N94 PolarHBondContact ND1-OD1 2.77Å; H90-N94 WeakPolarHBondContact O-CA 3.31Å; H90-N94 VanDerWaalsContact O-CB 3.3Å; H90-N94 WeakPolarHBondContact O-CB 3.36Å; H90-N94 PolarHBondContact O-N 2.8Å; N94-R97 WeakPolarHBondContact O-CG 3.29Å
95E98.4Very high98.2Very high70 Ų7047.2 Ų47.233%0.32722%0.217SC..Iπ-helixtrans-81.6-56-174.3-64.3-60.3127.700111.3A31 F33 H90 T91A31-E95 HydrophobicContact CB-CB 3.67Å; A31-E95 HydrophobicContact CB-CG 4.28Å; F33-E95 HydrophobicContact CD1-CG 3.75Å; F33-E95 HydrophobicContact CE1-CB 4.47Å; F33-E95 HydrophobicContact CE1-CG 3.78Å; F33-E95 HydrophobicContact CG-CG 4.48Å; H90-E95 IonicContact CE1-OE1 2.75Å; H90-E95 IonicContact NE2-OE1 3.82Å; H90-E95 PolarHBondContact NE2-OE1 3.15Å; H90-E95 PolarHBondContact O-N 3.13Å; T91-E95 WeakPolarHBondContact O-CB 3.49Å
96L98Very high98.2Very high17 Ų1744.9 Ų44.99%0.08921%0.206CC..Iπ-helixtrans-84.2-25.5179.4-61.6-176.9000113.4L10 A21 F23 R30 A31 T91 F92 V98L10-L96 HydrophobicContact CD1-CD1 4.18Å; L10-L96 HydrophobicContact CD2-CD1 4.02Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.31Å; A21-L96 HydrophobicContact CB-CG 4.32Å; F23-L96 HydrophobicContact CE2-CD2 4.45Å; R30-L96 HydrophobicContact CB-CD2 3.96Å; A31-L96 HydrophobicContact CB-CD2 4.44Å; T91-L96 HydrophobicContact CG2-CD1 4.21Å; T91-L96 HydrophobicContact CG2-CG 4.45Å; T91-L96 WeakPolarHBondContact O-CB 3.35Å; T91-L96 WeakPolarHBondContact O-CG 3.39Å; T91-L96 PolarHBondContact O-N 3.3Å; F92-L96 CarbonylContact O-C 3.58Å; L96-V98 HydrophobicContact CB-CG2 3.9Å
97R98.1Very high98.2Very high210 Ų21041.9 Ų41.979%0.79219%0.193SC*.  trans56.746.9-179-53.4180-175.7178.92.1112.9F92 N94F92-R97 WeakPolarHBondContact O-CA 3.43Å; F92-R97 PolarHBondContact O-N 2.83Å; N94-R97 WeakPolarHBondContact O-CG 3.29Å
98V97.9Very high98.2Very high24 Ų2442 Ų4215%0.14519%0.194CC..  trans-124.6160.4178.8-64.50000111.6L10 F23 F92 L96L10-V98 HydrophobicContact CD1-CG2 3.83Å; F23-V98 HydrophobicContact CE1-CG1 4.2Å; F23-V98 HydrophobicContact CZ-CG1 3.6Å; F92-V98 PolarHBondContact O-N 3.45Å; L96-V98 HydrophobicContact CB-CG2 3.9Å
99A97.8Very high98.1Very high23 Ų2342.6 Ų42.619%0.1920%0.197CC..  trans-88112.5168.400000108.8E101 E102 H103A99-E101 HydrophobicContact CB-CG 4.27Å; A99-E101 PolarHBondContact O-N 3.47Å; A99-E102 HydrophobicContact CB-CG 4.13Å; A99-E102 WeakPolarHBondContact O-CB 3.5Å; A99-E102 PolarHBondContact O-N 3.03Å; A99-H103 PolarHBondContact O-CD2 2.99Å
100P97.8Very high97.9Very high0 Ų038.3 Ų38.30%018%0.178CC..G310 helixtrans-60.9-25.4-175.724.2-33.1000113.8F92 Y93 E102 H103 F129 V131F92-P100 HydrophobicContact CB-CB 4.38Å; F92-P100 HydrophobicContact CB-CG 4.28Å; F92-P100 HydrophobicContact CD1-CB 4.23Å; F92-P100 HydrophobicContact CD2-CB 3.81Å; F92-P100 HydrophobicContact CD2-CG 3.97Å; F92-P100 HydrophobicContact CE1-CB 4.48Å; F92-P100 HydrophobicContact CE2-CB 4.07Å; F92-P100 HydrophobicContact CG-CB 3.89Å; F92-P100 HydrophobicContact CG-CG 4.2Å; F92-P100 HydrophobicContact CZ-CB 4.4Å; Y93-P100 HydrophobicContact CE2-CG 4.35Å; Y93-P100 WeakPolarHBondContact OH-CD 2.98Å; P100-E102 PolarHBondContact O-N 3.34Å; P100-H103 PolarHBondContact O-N 3.21Å; P100-H103 VanDerWaalsContact O-N 3.1Å; P100-F129 HydrophobicContact CB-CB 4.15Å; P100-F129 HydrophobicContact CG-CB 4.04Å; P100-F129 HydrophobicContact CG-CD1 3.98Å; P100-F129 HydrophobicContact CG-CG 4.45Å; P100-V131 HydrophobicContact CB-CG1 4.17Å
101E97.9Very high97.8Very high95 Ų9537.5 Ų37.544%0.44417%0.174SC..G310 helixtrans-64.1-14.6174.461.9-94.1-13900114.2A99 N130 P132A99-E101 HydrophobicContact CB-CG 4.27Å; A99-E101 PolarHBondContact O-N 3.47Å; E101-N130 WeakPolarHBondContact CA-O 3.42Å; E101-N130 HydrophobicContact CB-CB 4.15Å; E101-P132 WeakPolarHBondContact O-CD 3.5Å
102E97.3Very high97.5Very high118 Ų11842.3 Ų42.355%0.55120%0.199SC*.G310 helixtrans-91.4-13.2176-62.3179.6175.900112T7 A99 P100T7-E102 WeakPolarHBondContact CB-O 3.36Å; T7-E102 WeakPolarHBondContact CG2-O 3.49Å; A99-E102 HydrophobicContact CB-CG 4.13Å; A99-E102 WeakPolarHBondContact O-CB 3.5Å; A99-E102 PolarHBondContact O-N 3.03Å; P100-E102 PolarHBondContact O-N 3.34Å
103H97.7Very high97.4Very high19 Ų1943.2 Ų43.29%0.08820%0.204CC..SBendtrans-128126.5-168.2-62-85.3000114.4T8 L10 F23 A99 P100 T105 P132T8-H103 PolarHBondContact O-ND1 3.35Å; L10-H103 HydrophobicContact CD1-CB 3.88Å; L10-H103 HydrophobicContact CD2-CB 4.47Å; L10-H103 HydrophobicContact CG-CB 3.7Å; F23-H103 AromaticContact CE1-CE1 3.9Å; A99-H103 PolarHBondContact O-CD2 2.99Å; P100-H103 PolarHBondContact O-N 3.21Å; P100-H103 VanDerWaalsContact O-N 3.1Å; H103-T105 PolarHBondContact O-N 2.94Å; H103-T105 PolarHBondContact O-OG1 3.43Å; H103-P132 WeakPolarHBondContact O-CD 3.39Å
104P98Very high97.3Very high20 Ų2041.6 Ų41.613%0.1321%0.205CC..  trans-53.5138.9163.3-23.934.3000110.6A9 L10 P132 A133 W358A9-P104 CarbonylContact C-O 3.54Å; A9-P104 WeakPolarHBondContact CA-O 3.33Å; A9-P104 HydrophobicContact CB-CB 4.06Å; L10-P104 PolarHBondContact N-O 3.03Å; P104-P132 HydrophobicContact CG-CG 4.38Å; P104-A133 CarbonylContact C-O 3.55Å; P104-A133 VanDerWaalsContact CA-O 3.27Å; P104-A133 WeakPolarHBondContact CA-O 3.44Å; P104-A133 HydrophobicContact CB-CB 4.12Å; P104-A133 HydrophobicContact CG-CB 4.47Å; P104-W358 HydrophobicContact CB-CD2 4.38Å; P104-W358 HydrophobicContact CB-CE3 4.49Å; P104-W358 HydrophobicContact CB-CH2 4.14Å; P104-W358 HydrophobicContact CB-CZ2 4.01Å; P104-W358 HydrophobicContact CB-CZ3 4.38Å
105T98.6Very high97.2Very high0 Ų044.9 Ų44.90%022%0.216CC..EExtended strand (participates in β ladder)trans-126.6117.8-174.2-63.30000112.2L10 F92 H103 L107 M125 A133 M134 Y135L10-T105 HydrophobicContact CB-CG2 4.49Å; F92-T105 HydrophobicContact CE1-CG2 4.3Å; F92-T105 HydrophobicContact CZ-CG2 4.17Å; H103-T105 PolarHBondContact O-N 2.94Å; H103-T105 PolarHBondContact O-OG1 3.43Å; T105-L107 HydrophobicContact CG2-CD1 4.13Å; T105-L107 HydrophobicContact CG2-CG 4.09Å; T105-M125 HydrophobicContact CG2-SD 4.44Å; T105-A133 PolarHBondContact N-O 2.97Å; T105-M134 WeakPolarHBondContact O-CA 3.5Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.41Å; T105-Y135 PolarHBondContact O-N 3.34Å; T105-Y135 VanDerWaalsContact O-N 3.08Å
106L98.6Very high97.2Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-89.4124.1168.9-172.8151.1000109.6L10 V11 C12 T108 Y135 A137 L142 L348 A349 F354 W358L10-L106 PolarHBondContact O-N 3.17Å; V11-L106 WeakPolarHBondContact CA-O 3.33Å; V11-L106 HydrophobicContact CG1-CD2 4.15Å; V11-L106 HydrophobicContact CG2-CB 4.45Å; C12-L106 PolarHBondContact N-O 3.28Å; L106-T108 HydrophobicContact CD2-CG2 4.29Å; L106-Y135 CarbonylContact C-O 3.57Å; L106-Y135 WeakPolarHBondContact CA-O 3.38Å; L106-Y135 HydrophobicContact CD1-CD1 4.32Å; L106-A137 HydrophobicContact CD2-CB 4.34Å; L106-L142 HydrophobicContact CD2-CD1 4.06Å; L106-L348 HydrophobicContact CD1-CD2 4.2Å; L106-A349 HydrophobicContact CD1-CB 4.29Å; L106-F354 HydrophobicContact CD1-CE1 4.28Å; L106-F354 HydrophobicContact CD1-CZ 4.03Å; L106-W358 HydrophobicContact CB-CH2 3.85Å; L106-W358 HydrophobicContact CB-CZ3 4.12Å
107L98.6Very high97.2Very high0 Ų044.8 Ų44.80%023%0.227CC..EExtended strand (participates in β ladder)trans-110.3148.8174.2-65.9126.4000110.2C12 N14 W88 T105 M125 M134 Y135 V136 A137C12-L107 HydrophobicContact CB-CD2 4.08Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.43Å; W88-L107 HydrophobicContact CZ2-CD2 3.92Å; T105-L107 HydrophobicContact CG2-CD1 4.13Å; T105-L107 HydrophobicContact CG2-CG 4.09Å; L107-M125 HydrophobicContact CD1-CE 3.99Å; L107-M125 HydrophobicContact CD1-CG 3.55Å; L107-M125 HydrophobicContact CD1-SD 3.8Å; L107-M125 HydrophobicContact CD2-CE 3.59Å; L107-M125 HydrophobicContact CD2-SD 4.37Å; L107-M125 HydrophobicContact CG-CE 4.39Å; L107-M134 HydrophobicContact CD1-CE 3.85Å; L107-Y135 PolarHBondContact N-O 3.03Å; L107-V136 CarbonylContact O-C 3.57Å; L107-V136 VanDerWaalsContact O-CA 3.3Å; L107-V136 WeakPolarHBondContact O-CA 3.38Å; L107-A137 PolarHBondContact O-N 3.44Å
108T98Very high97.2Very high3 Ų336 Ų362%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-101150.7176.173.60000111.8C12 D13 N14 L106 A137 Q139 L142 V341C12-T108 PolarHBondContact O-N 3.33Å; C12-T108 VanDerWaalsContact O-N 3.13Å; D13-T108 VanDerWaalsContact CA-OG1 3.29Å; D13-T108 WeakPolarHBondContact CA-OG1 3.23Å; D13-T108 HydrophobicContact CB-CG2 4.02Å; D13-T108 PolarHBondContact OD1-OG1 3.35Å; D13-T108 VanDerWaalsContact OD1-OG1 3.13Å; N14-T108 PolarHBondContact N-OG1 2.91Å; N14-T108 PolarHBondContact ND2-O 3.4Å; L106-T108 HydrophobicContact CD2-CG2 4.29Å; T108-A137 CarbonylContact C-O 3.6Å; T108-A137 VanDerWaalsContact CA-O 3.27Å; T108-A137 WeakPolarHBondContact CA-O 3.43Å; T108-Q139 PolarHBondContact OG1-NE2 3.21Å; T108-L142 HydrophobicContact CG2-CD1 3.65Å; T108-V341 HydrophobicContact CG2-CG1 3.74Å
109E96.9Very high97.2Very high12 Ų1238.1 Ų38.16%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-133.5150.5171.768.2-176.517300112.3N113 R118 M121 V136 A137 I138 Q139E109-N113 HydrophobicContact CB-CB 4.25Å; E109-N113 HydrophobicContact CG-CB 4.4Å; E109-N113 WeakPolarHBondContact OE2-CB 3.39Å; E109-N113 PolarHBondContact OE2-ND2 3.5Å; E109-R118 IonicContact OE1-CZ 2.87Å; E109-R118 VanDerWaalsContact OE1-CZ 3.22Å; E109-R118 IonicContact OE1-NE 2.75Å; E109-R118 PolarHBondContact OE1-NE 3.02Å; E109-R118 IonicContact OE1-NH2 3.23Å; E109-R118 PolarHBondContact OE1-NH2 3.13Å; E109-R118 WeakPolarHBondContact OE2-CG 3.34Å; E109-R118 IonicContact OE2-NE 3.87Å; E109-R118 PolarHBondContact OE2-NE 3.17Å; E109-M121 HydrophobicContact CB-CE 4.34Å; E109-V136 HydrophobicContact CB-CG1 3.91Å; E109-V136 HydrophobicContact CG-CG1 3.65Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.13Å; E109-A137 PolarHBondContact N-O 3.34Å; E109-I138 HydrophobicContact CG-CG1 4.41Å; E109-I138 WeakPolarHBondContact O-CA 3.26Å; E109-Q139 WeakPolarHBondContact O-CG 3.09Å; E109-Q139 PolarHBondContact O-N 3.25Å
110A95.7Very high97.2Very high4 Ų440 Ų403%0.03321%0.206CC..  trans-64.5150.7166.300000110.1N113A110-N113 WeakPolarHBondContact O-CB 2.91Å; A110-N113 PolarHBondContact O-N 2.91Å
111P95.1Very high97.2Very high1 Ų140.1 Ų40.11%0.00621%0.206CC..THydrogen-bonded Turntrans-59.2152.3171.828.5-36.9000111N113 I138 H163 V165 I177P111-N113 PolarHBondContact O-N 2.96Å; P111-I138 HydrophobicContact CB-CG2 4.13Å; P111-H163 HydrophobicContact CG-CB 3.86Å; P111-H163 VanDerWaalsContact CG-CD2 3.41Å; P111-H163 WeakPolarHBondContact CG-CD2 3.43Å; P111-H163 VanDerWaalsContact CG-CG 3.45Å; P111-V165 HydrophobicContact CB-CG2 4.11Å; P111-V165 HydrophobicContact CG-CG2 3.78Å; P111-I177 HydrophobicContact CB-CD1 3.8Å; P111-I177 HydrophobicContact CB-CG2 4.12Å; P111-I177 HydrophobicContact CG-CG2 4.24Å
112L93.2Very high97.3Very high100 Ų10035.6 Ų35.652%0.52419%0.185SC..THydrogen-bonded Turntrans6224.5-179.1-47.6174.8000114.2I177L112-I177 HydrophobicContact CD1-CB 4.39Å; L112-I177 HydrophobicContact CD1-CG2 4.04Å; L112-I177 HydrophobicContact CD2-CD1 4.22Å; L112-I177 HydrophobicContact CG-CD1 4.42Å; L112-I177 HydrophobicContact CG-CG2 4.27Å
113N95.4Very high97.3Very high20 Ų2032.7 Ų32.711%0.10717%0.172CC..  trans-58.2132.5174.2-168.325.2000111.1E109 A110 P111 K115 N117 M121E109-N113 HydrophobicContact CB-CB 4.25Å; E109-N113 HydrophobicContact CG-CB 4.4Å; E109-N113 WeakPolarHBondContact OE2-CB 3.39Å; E109-N113 PolarHBondContact OE2-ND2 3.5Å; A110-N113 WeakPolarHBondContact O-CB 2.91Å; A110-N113 PolarHBondContact O-N 2.91Å; P111-N113 PolarHBondContact O-N 2.96Å; N113-K115 PolarHBondContact O-N 3.33Å; N113-N117 WeakPolarHBondContact OD1-CB 3.35Å; N113-M121 WeakPolarHBondContact ND2-CE 3.5Å
114P96.4Very high97.4Very high60 Ų6031.9 Ų31.939%0.3917%0.168SC..  trans-54.8138.3178.4-2936.2000112.6A116 N117 R118P114-A116 VanDerWaalsContact C-N 3.25Å; P114-A116 PolarHBondContact O-N 2.99Å; P114-N117 HydrophobicContact CB-CB 4.38Å; P114-N117 WeakPolarHBondContact O-CA 3.4Å; P114-N117 WeakPolarHBondContact O-CB 3.34Å; P114-N117 PolarHBondContact O-N 3.18Å; P114-R118 PolarHBondContact O-N 3.04Å
115K96.8Very high97.4Very high146 Ų14631 Ų3164%0.63516%0.162SC*.Hα-helixtrans-55-41179.8-74.5-170.7175.1-1760113N113 N117 R118 E119 H373N113-K115 PolarHBondContact O-N 3.33Å; K115-N117 PolarHBondContact O-N 3.33Å; K115-R118 WeakPolarHBondContact O-CB 3.22Å; K115-R118 PolarHBondContact O-N 2.93Å; K115-R118 VanDerWaalsContact O-N 3.13Å; K115-E119 PolarHBondContact O-N 3.41Å; K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.5Å; K115-H373 PolarHBondContact O-CE1 3.06Å
116A97.7Very high97.4Very high65 Ų6531 Ų3154%0.53716%0.162SC..Hα-helixtrans-60.3-33.8176.400000112.4P114 K120P114-A116 VanDerWaalsContact C-N 3.25Å; P114-A116 PolarHBondContact O-N 2.99Å; A116-K120 WeakPolarHBondContact O-CB 3.46Å; A116-K120 PolarHBondContact O-N 3.23Å
117N97.8Very high97.4Very high21 Ų2135.6 Ų35.611%0.11218%0.184CC..Hα-helixtrans-69.5-40.3175.9-76.627.9000111.3I77 I78 W81 N113 P114 K115 E119 K120 M121I77-N117 WeakPolarHBondContact CG2-ND2 3.35Å; I78-N117 PolarHBondContact O-ND2 3.04Å; I78-N117 VanDerWaalsContact O-ND2 3.12Å; W81-N117 HydrophobicContact CH2-CB 4.17Å; W81-N117 VanDerWaalsContact CH2-O 3.3Å; W81-N117 WeakPolarHBondContact CH2-O 3.15Å; W81-N117 HydrophobicContact CZ2-CB 3.83Å; N113-N117 WeakPolarHBondContact OD1-CB 3.35Å; P114-N117 HydrophobicContact CB-CB 4.38Å; P114-N117 WeakPolarHBondContact O-CA 3.4Å; P114-N117 WeakPolarHBondContact O-CB 3.34Å; P114-N117 PolarHBondContact O-N 3.18Å; K115-N117 PolarHBondContact O-N 3.33Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 3.28Å; N117-K120 PolarHBondContact O-N 3.08Å; N117-M121 WeakPolarHBondContact O-CG 3.13Å; N117-M121 PolarHBondContact O-N 3.15Å
118R97.8Very high97.4Very high25 Ų2539.1 Ų39.19%0.09421%0.205CC..Hα-helixtrans-59-48.3174.5-50-176.785.5-15611.7110.8E109 P114 K115 K120 M121 T122 V372 C376E109-R118 IonicContact OE1-CZ 2.87Å; E109-R118 VanDerWaalsContact OE1-CZ 3.22Å; E109-R118 IonicContact OE1-NE 2.75Å; E109-R118 PolarHBondContact OE1-NE 3.02Å; E109-R118 IonicContact OE1-NH2 3.23Å; E109-R118 PolarHBondContact OE1-NH2 3.13Å; E109-R118 WeakPolarHBondContact OE2-CG 3.34Å; E109-R118 IonicContact OE2-NE 3.87Å; E109-R118 PolarHBondContact OE2-NE 3.17Å; P114-R118 PolarHBondContact O-N 3.04Å; K115-R118 WeakPolarHBondContact O-CB 3.22Å; K115-R118 PolarHBondContact O-N 2.93Å; K115-R118 VanDerWaalsContact O-N 3.13Å; R118-K120 VanDerWaalsContact C-N 3.33Å; R118-K120 PolarHBondContact O-N 3.09Å; R118-M121 PolarHBondContact O-N 3.34Å; R118-T122 PolarHBondContact O-N 3.26Å; R118-T122 PolarHBondContact O-OG1 2.75Å; R118-T122 VanDerWaalsContact O-OG1 3.08Å; R118-V372 HydrophobicContact CB-CG1 3.73Å; R118-V372 HydrophobicContact CB-CG2 4.22Å; R118-C376 VanDerWaalsContact CZ-O 3.29Å; R118-C376 PolarHBondContact NH1-O 2.66Å; R118-C376 PolarHBondContact NH2-O 2.83Å
119E98.5Very high97.4Very high69 Ų6939.3 Ų39.332%0.32221%0.206SC..Hα-helixtrans-59.6-43.1176.6-71.3173.5-153.500111.8K115 N117 T122 Q123 P369 V372 H373K115-E119 PolarHBondContact O-N 3.41Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 3.28Å; E119-T122 WeakPolarHBondContact O-CB 3.29Å; E119-T122 PolarHBondContact O-N 3.07Å; E119-Q123 WeakPolarHBondContact O-CB 3.44Å; E119-Q123 PolarHBondContact O-N 3.49Å; E119-P369 HydrophobicContact CB-CB 3.74Å; E119-P369 HydrophobicContact CG-CB 4.08Å; E119-V372 HydrophobicContact CG-CG1 4.37Å; E119-H373 WeakPolarHBondContact CG-NE2 3.5Å; E119-H373 IonicContact OE1-CD2 3.48Å; E119-H373 PolarHBondContact OE1-CD2 3.12Å; E119-H373 IonicContact OE1-CE1 3.69Å; E119-H373 IonicContact OE1-NE2 2.87Å; E119-H373 PolarHBondContact OE1-NE2 2.99Å
120K98.4Very high97.5Very high62 Ų6243.1 Ų43.127%0.2723%0.226SC..Hα-helixtrans-68.1-38.2179.8-17157.5176.6167.80112.8W81 A116 N117 R118 T122 Q123 I124W81-K120 HydrophobicContact CD2-CB 4.2Å; W81-K120 HydrophobicContact CD2-CG 3.39Å; W81-K120 VanDerWaalsContact CE2-CG 3.49Å; W81-K120 HydrophobicContact CE3-CB 4.32Å; W81-K120 HydrophobicContact CE3-CG 3.63Å; W81-K120 HydrophobicContact CG-CG 3.89Å; W81-K120 HydrophobicContact CH2-CB 3.82Å; W81-K120 HydrophobicContact CH2-CG 4.04Å; W81-K120 HydrophobicContact CZ2-CB 3.69Å; W81-K120 HydrophobicContact CZ2-CG 3.85Å; W81-K120 HydrophobicContact CZ3-CB 4.11Å; W81-K120 HydrophobicContact CZ3-CG 3.91Å; A116-K120 WeakPolarHBondContact O-CB 3.46Å; A116-K120 PolarHBondContact O-N 3.23Å; N117-K120 PolarHBondContact O-N 3.08Å; R118-K120 VanDerWaalsContact C-N 3.33Å; R118-K120 PolarHBondContact O-N 3.09Å; K120-T122 VanDerWaalsContact C-N 3.32Å; K120-T122 PolarHBondContact O-N 3.17Å; K120-Q123 PolarHBondContact O-N 2.79Å; K120-I124 HydrophobicContact CD-CD1 4.23Å; K120-I124 HydrophobicContact CD-CG1 4.39Å; K120-I124 HydrophobicContact CG-CD1 4.03Å; K120-I124 WeakPolarHBondContact O-CD1 3.19Å; K120-I124 VanDerWaalsContact O-CG1 3.3Å; K120-I124 WeakPolarHBondContact O-CG1 3.16Å; K120-I124 PolarHBondContact O-N 3.48Å
121M97.7Very high97.6Very high2 Ų242.9 Ų42.91%0.0123%0.225CC..Hα-helixtrans-57.8-47.4170-67.7-169.1-73.100110.6I78 W81 W88 E109 N113 N117 R118 I124 M125 V136I78-M121 HydrophobicContact CD1-CG 4.16Å; I78-M121 HydrophobicContact CD1-SD 4.1Å; W81-M121 HydrophobicContact CH2-CG 3.63Å; W81-M121 HydrophobicContact CZ3-CG 3.71Å; W88-M121 HydrophobicContact CH2-CB 4.45Å; W88-M121 HydrophobicContact CH2-CG 4Å; W88-M121 HydrophobicContact CZ2-CG 4.49Å; E109-M121 HydrophobicContact CB-CE 4.34Å; N113-M121 WeakPolarHBondContact ND2-CE 3.5Å; N117-M121 WeakPolarHBondContact O-CG 3.13Å; N117-M121 PolarHBondContact O-N 3.15Å; R118-M121 PolarHBondContact O-N 3.34Å; M121-I124 PolarHBondContact O-N 3.35Å; M121-M125 VanDerWaalsContact O-CG 3.29Å; M121-M125 WeakPolarHBondContact O-CG 3.39Å; M121-M125 PolarHBondContact O-N 3.13Å; M121-V136 HydrophobicContact CE-CG1 3.8Å; M121-V136 HydrophobicContact CE-CG2 4.28Å
122T98.3Very high97.7Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-60.9-46.7179.9-60.60000112.3R118 E119 K120 I124 M125 F126 M134 Y364 I371 V372R118-T122 PolarHBondContact O-N 3.26Å; R118-T122 PolarHBondContact O-OG1 2.75Å; R118-T122 VanDerWaalsContact O-OG1 3.08Å; E119-T122 WeakPolarHBondContact O-CB 3.29Å; E119-T122 PolarHBondContact O-N 3.07Å; K120-T122 VanDerWaalsContact C-N 3.32Å; K120-T122 PolarHBondContact O-N 3.17Å; T122-I124 PolarHBondContact O-N 2.86Å; T122-M125 PolarHBondContact O-N 2.78Å; T122-F126 HydrophobicContact CG2-CD2 3.77Å; T122-F126 HydrophobicContact CG2-CE2 3.86Å; T122-F126 WeakPolarHBondContact O-CD2 3.39Å; T122-F126 PolarHBondContact O-N 3.12Å; T122-M134 VanDerWaalsContact CA-SD 3.55Å; T122-M134 HydrophobicContact CG2-SD 3.98Å; T122-Y364 HydrophobicContact CG2-CD2 3.71Å; T122-Y364 HydrophobicContact CG2-CE2 3.91Å; T122-I371 HydrophobicContact CG2-CG2 4.36Å; T122-V372 WeakPolarHBondContact OG1-CB 3.25Å
123Q98.5Very high98Very high58 Ų5841 Ų4127%0.27122%0.219SC..Hα-helixtrans-57.1-50.9176.8-171.2-170.30.600111.4E119 K120 M125 F126 E127 P369E119-Q123 WeakPolarHBondContact O-CB 3.44Å; E119-Q123 PolarHBondContact O-N 3.49Å; K120-Q123 PolarHBondContact O-N 2.79Å; Q123-M125 PolarHBondContact O-N 3.24Å; Q123-F126 PolarHBondContact O-N 3.19Å; Q123-E127 HydrophobicContact CG-CG 4.13Å; Q123-E127 VanDerWaalsContact CG-OE2 3.22Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.46Å; Q123-E127 PolarHBondContact NE2-OE2 3.29Å; Q123-E127 VanDerWaalsContact O-CB 3.22Å; Q123-E127 WeakPolarHBondContact O-CB 3.3Å; Q123-E127 WeakPolarHBondContact O-CG 3.34Å; Q123-E127 PolarHBondContact O-N 3.13Å; Q123-P369 HydrophobicContact CB-CG 4.17Å
124I98.6Very high98.1Very high2 Ų240 Ų401%0.0121%0.214CC..Hα-helixtrans-62.1-45.6-176.8-70.7165.8000111.2W81 E85 W88 K120 M121 T122 F126 T128 F129W81-I124 HydrophobicContact CD2-CD1 4.28Å; W81-I124 HydrophobicContact CE3-CD1 3.44Å; W81-I124 VanDerWaalsContact CE3-CD1 3.44Å; W81-I124 HydrophobicContact CZ3-CD1 4.04Å; E85-I124 HydrophobicContact CG-CD1 3.85Å; E85-I124 HydrophobicContact CG-CG1 4.22Å; E85-I124 HydrophobicContact CG-CG2 3.72Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.21Å; E85-I124 WeakPolarHBondContact OE1-CG1 3.12Å; W88-I124 HydrophobicContact CE3-CG2 3.87Å; W88-I124 HydrophobicContact CZ3-CB 4.21Å; W88-I124 HydrophobicContact CZ3-CD1 3.96Å; W88-I124 HydrophobicContact CZ3-CG2 3.75Å; K120-I124 HydrophobicContact CD-CD1 4.23Å; K120-I124 HydrophobicContact CD-CG1 4.39Å; K120-I124 HydrophobicContact CG-CD1 4.03Å; K120-I124 WeakPolarHBondContact O-CD1 3.19Å; K120-I124 VanDerWaalsContact O-CG1 3.3Å; K120-I124 WeakPolarHBondContact O-CG1 3.16Å; K120-I124 PolarHBondContact O-N 3.48Å; M121-I124 PolarHBondContact O-N 3.35Å; T122-I124 PolarHBondContact O-N 2.86Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.41Å; I124-T128 WeakPolarHBondContact O-CA 3.31Å; I124-T128 WeakPolarHBondContact O-CB 3.36Å; I124-T128 PolarHBondContact O-N 2.89Å; I124-F129 HydrophobicContact CG2-CD2 3.81Å; I124-F129 HydrophobicContact CG2-CE2 3.64Å; I124-F129 PolarHBondContact O-N 2.85Å; I124-F129 VanDerWaalsContact O-N 3.14Å
125M98.6Very high98.2Very high0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-60.9-43-178.6-71.7-68.2148.900112W88 F92 T105 L107 M121 T122 Q123 F129 N130 V131 M134W88-M125 HydrophobicContact CB-CE 4.31Å; W88-M125 HydrophobicContact CD2-CE 3.29Å; W88-M125 HydrophobicContact CE3-CE 3.48Å; W88-M125 VanDerWaalsContact CE3-CE 3.48Å; W88-M125 HydrophobicContact CG-CE 3.71Å; W88-M125 HydrophobicContact CH2-CE 4.09Å; W88-M125 HydrophobicContact CZ2-CE 3.97Å; W88-M125 HydrophobicContact CZ3-CE 3.87Å; F92-M125 HydrophobicContact CE2-CE 4.42Å; F92-M125 HydrophobicContact CE2-SD 4.37Å; F92-M125 HydrophobicContact CZ-CE 4.37Å; F92-M125 HydrophobicContact CZ-SD 4.18Å; T105-M125 HydrophobicContact CG2-SD 4.44Å; L107-M125 HydrophobicContact CD1-CE 3.99Å; L107-M125 HydrophobicContact CD1-CG 3.55Å; L107-M125 HydrophobicContact CD1-SD 3.8Å; L107-M125 HydrophobicContact CD2-CE 3.59Å; L107-M125 HydrophobicContact CD2-SD 4.37Å; L107-M125 HydrophobicContact CG-CE 4.39Å; M121-M125 VanDerWaalsContact O-CG 3.29Å; M121-M125 WeakPolarHBondContact O-CG 3.39Å; M121-M125 PolarHBondContact O-N 3.13Å; T122-M125 PolarHBondContact O-N 2.78Å; Q123-M125 PolarHBondContact O-N 3.24Å; M125-F129 HydrophobicContact CE-CD2 4.2Å; M125-F129 HydrophobicContact CE-CE2 4.44Å; M125-F129 CarbonylContact O-C 3.38Å; M125-F129 HydrophobicContact SD-CD2 4.2Å; M125-N130 PolarHBondContact O-N 2.86Å; M125-V131 HydrophobicContact CB-CG2 3.84Å; M125-V131 PolarHBondContact O-N 2.93Å; M125-V131 HydrophobicContact SD-CG1 4.33Å; M125-M134 HydrophobicContact CB-SD 3.67Å; M125-M134 HydrophobicContact CG-SD 4.13Å
126F98.6Very high98.2Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-83.9-33-178.9-76.5-58.8000115.1T122 Q123 I124 N130 V131 M134 I359 K361 Y364T122-F126 HydrophobicContact CG2-CD2 3.77Å; T122-F126 HydrophobicContact CG2-CE2 3.86Å; T122-F126 WeakPolarHBondContact O-CD2 3.39Å; T122-F126 PolarHBondContact O-N 3.12Å; Q123-F126 PolarHBondContact O-N 3.19Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.41Å; F126-N130 PolarHBondContact O-OD1 3.27Å; F126-V131 HydrophobicContact CD1-CG2 4Å; F126-V131 VanDerWaalsContact CD1-O 3.23Å; F126-V131 WeakPolarHBondContact CD1-O 3.2Å; F126-V131 HydrophobicContact CE1-CG2 4.11Å; F126-V131 WeakPolarHBondContact CE1-O 3.14Å; F126-M134 HydrophobicContact CD2-CG 4.26Å; F126-M134 HydrophobicContact CD2-SD 4.1Å; F126-M134 HydrophobicContact CE1-CG 4.43Å; F126-M134 HydrophobicContact CE2-CG 3.49Å; F126-M134 VanDerWaalsContact CE2-CG 3.49Å; F126-M134 HydrophobicContact CE2-SD 3.83Å; F126-M134 HydrophobicContact CZ-CG 3.62Å; F126-M134 HydrophobicContact CZ-SD 4.49Å; F126-I359 HydrophobicContact CE2-CG2 3.88Å; F126-I359 HydrophobicContact CZ-CB 4.34Å; F126-I359 HydrophobicContact CZ-CG2 3.92Å; F126-I359 WeakPolarHBondContact CZ-O 3.49Å; F126-K361 HydrophobicContact CB-CD 4.23Å; F126-K361 HydrophobicContact CD1-CB 4.2Å; F126-K361 HydrophobicContact CD1-CD 3.55Å; F126-K361 HydrophobicContact CD1-CG 4.49Å; F126-K361 VanDerWaalsContact CE1-CA 3.5Å; F126-K361 HydrophobicContact CE1-CB 4.03Å; F126-K361 HydrophobicContact CE1-CD 4.23Å; F126-K361 HydrophobicContact CG-CD 4.21Å; F126-K361 PolarHBondContact O-NZ 3.48Å; F126-Y364 HydrophobicContact CB-CD1 3.62Å; F126-Y364 HydrophobicContact CB-CD2 4.3Å; F126-Y364 HydrophobicContact CB-CE1 3.71Å; F126-Y364 HydrophobicContact CB-CE2 4.35Å; F126-Y364 HydrophobicContact CB-CG 3.93Å; F126-Y364 HydrophobicContact CD1-CG 4.48Å; F126-Y364 AromaticContact CD2-CD1 3.94Å; F126-Y364 HydrophobicContact CD2-CD1 3.94Å; F126-Y364 AromaticContact CD2-CD2 3.34Å; F126-Y364 HydrophobicContact CD2-CD2 3.34Å; F126-Y364 AromaticContact CD2-CE2 3.97Å; F126-Y364 HydrophobicContact CD2-CE2 3.97Å; F126-Y364 AromaticContact CD2-CG 3.3Å; F126-Y364 HydrophobicContact CD2-CG 3.3Å; F126-Y364 AromaticContact CE2-CD2 3.88Å; F126-Y364 HydrophobicContact CE2-CD2 3.88Å; F126-Y364 AromaticContact CE2-CG 3.8Å; F126-Y364 HydrophobicContact CE2-CG 3.8Å; F126-Y364 AromaticContact CG-CD1 3.84Å; F126-Y364 HydrophobicContact CG-CD1 3.84Å; F126-Y364 HydrophobicContact CG-CD2 4.09Å; F126-Y364 HydrophobicContact CG-CE1 4.38Å; F126-Y364 AromaticContact CG-CG 3.67Å; F126-Y364 HydrophobicContact CG-CG 3.67Å
127E98.5Very high98.2Very high98 Ų9828.6 Ų28.646%0.45815%0.147SC..Hα-helixtrans-95.2-34.9-174.9-63.8-177.7-177.400112.8Q123 Y364Q123-E127 HydrophobicContact CG-CG 4.13Å; Q123-E127 VanDerWaalsContact CG-OE2 3.22Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.46Å; Q123-E127 PolarHBondContact NE2-OE2 3.29Å; Q123-E127 VanDerWaalsContact O-CB 3.22Å; Q123-E127 WeakPolarHBondContact O-CB 3.3Å; Q123-E127 WeakPolarHBondContact O-CG 3.34Å; Q123-E127 PolarHBondContact O-N 3.13Å; E127-Y364 VanDerWaalsContact CD-OH 3.31Å; E127-Y364 HydrophobicContact CG-CE1 4.09Å; E127-Y364 PolarHBondContact OE1-OH 2.94Å
128T98.4Very high98.2Very high73 Ų7328.5 Ų28.545%0.44815%0.146SC..THydrogen-bonded Turntrans-95.6-47.8-178.2-52.80000111.3I124I124-T128 WeakPolarHBondContact O-CA 3.31Å; I124-T128 WeakPolarHBondContact O-CB 3.36Å; I124-T128 PolarHBondContact O-N 2.89Å
129F98.5Very high98.2Very high8 Ų828.1 Ų28.14%0.03515%0.146CC..SBendtrans-94.9-6.5-178.2-64.8-67.8000114W88 H89 F92 Y93 P100 I124 M125 V131W88-F129 HydrophobicContact CB-CE2 3.7Å; W88-F129 HydrophobicContact CB-CZ 3.66Å; W88-F129 HydrophobicContact CE3-CE2 4.08Å; H89-F129 HydrophobicContact CB-CE1 4.06Å; H89-F129 HydrophobicContact CB-CZ 4.22Å; F92-F129 AromaticContact CD2-CD1 3.75Å; F92-F129 HydrophobicContact CD2-CD1 3.75Å; F92-F129 AromaticContact CD2-CE1 3.9Å; F92-F129 HydrophobicContact CD2-CE1 3.9Å; F92-F129 HydrophobicContact CD2-CG 4.18Å; F92-F129 HydrophobicContact CD2-CZ 4.45Å; F92-F129 HydrophobicContact CE2-CB 4.4Å; F92-F129 AromaticContact CE2-CD1 3.92Å; F92-F129 HydrophobicContact CE2-CD1 3.92Å; F92-F129 HydrophobicContact CE2-CD2 4.1Å; F92-F129 HydrophobicContact CE2-CE1 4.2Å; F92-F129 HydrophobicContact CE2-CE2 4.37Å; F92-F129 AromaticContact CE2-CG 3.87Å; F92-F129 HydrophobicContact CE2-CG 3.87Å; F92-F129 HydrophobicContact CE2-CZ 4.42Å; Y93-F129 HydrophobicContact CE2-CE1 4.43Å; P100-F129 HydrophobicContact CB-CB 4.15Å; P100-F129 HydrophobicContact CG-CB 4.04Å; P100-F129 HydrophobicContact CG-CD1 3.98Å; P100-F129 HydrophobicContact CG-CG 4.45Å; I124-F129 HydrophobicContact CG2-CD2 3.81Å; I124-F129 HydrophobicContact CG2-CE2 3.64Å; I124-F129 PolarHBondContact O-N 2.85Å; I124-F129 VanDerWaalsContact O-N 3.14Å; M125-F129 HydrophobicContact CE-CD2 4.2Å; M125-F129 HydrophobicContact CE-CE2 4.44Å; M125-F129 CarbonylContact O-C 3.38Å; M125-F129 HydrophobicContact SD-CD2 4.2Å; F129-V131 HydrophobicContact CB-CG1 4.12Å; F129-V131 PolarHBondContact O-N 3.45Å; F129-V131 VanDerWaalsContact O-N 3.09Å
130N98.3Very high98.2Very high91 Ų9124.8 Ų24.849%0.48713%0.13SC..  trans50.333.5178.1-61-61.4000114.2E101 M125 F126E101-N130 WeakPolarHBondContact CA-O 3.42Å; E101-N130 HydrophobicContact CB-CB 4.15Å; M125-N130 PolarHBondContact O-N 2.86Å; F126-N130 PolarHBondContact O-OD1 3.27Å
131V98.5Very high98.1Very high0 Ų022.6 Ų22.60%012%0.122CC..  trans-58.9140179.8-56.50000110P100 M125 F126 F129 A133 M134P100-V131 HydrophobicContact CB-CG1 4.17Å; M125-V131 HydrophobicContact CB-CG2 3.84Å; M125-V131 PolarHBondContact O-N 2.93Å; M125-V131 HydrophobicContact SD-CG1 4.33Å; F126-V131 HydrophobicContact CD1-CG2 4Å; F126-V131 VanDerWaalsContact CD1-O 3.23Å; F126-V131 WeakPolarHBondContact CD1-O 3.2Å; F126-V131 HydrophobicContact CE1-CG2 4.11Å; F126-V131 WeakPolarHBondContact CE1-O 3.14Å; F129-V131 HydrophobicContact CB-CG1 4.12Å; F129-V131 PolarHBondContact O-N 3.45Å; F129-V131 VanDerWaalsContact O-N 3.09Å; V131-A133 VanDerWaalsContact C-N 3.26Å; V131-A133 PolarHBondContact O-N 2.75Å; V131-M134 HydrophobicContact CG2-CB 4.06Å
132P97.9Very high98.1Very high50 Ų5022.5 Ų22.533%0.32512%0.121SC..SBendtrans-69.8-29.6-177.527.4-34.3000111.8E101 H103 P104 K361E101-P132 WeakPolarHBondContact O-CD 3.5Å; H103-P132 WeakPolarHBondContact O-CD 3.39Å; P104-P132 HydrophobicContact CG-CG 4.38Å; P132-K361 PolarHBondContact O-N 3.18Å
133A98.1Very high98.1Very high11 Ų1122.5 Ų22.59%0.09112%0.121CC..EExtended strand (participates in β ladder)trans-155.6156.7176.500000111P104 T105 V131 W358 I359P104-A133 CarbonylContact C-O 3.55Å; P104-A133 VanDerWaalsContact CA-O 3.27Å; P104-A133 WeakPolarHBondContact CA-O 3.44Å; P104-A133 HydrophobicContact CB-CB 4.12Å; P104-A133 HydrophobicContact CG-CB 4.47Å; T105-A133 PolarHBondContact N-O 2.97Å; V131-A133 VanDerWaalsContact C-N 3.26Å; V131-A133 PolarHBondContact O-N 2.75Å; A133-W358 HydrophobicContact CB-CB 4.08Å; A133-W358 HydrophobicContact CB-CG 4.36Å; A133-I359 CarbonylContact C-O 3.47Å; A133-I359 WeakPolarHBondContact CA-O 3.39Å; A133-I359 WeakPolarHBondContact CB-O 3.41Å
134M98.1Very high98.1Very high0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-148.9164.3173.866.6161.7-70.300113.9T105 L107 T122 M125 F126 V131 V136 I359T105-M134 WeakPolarHBondContact O-CA 3.5Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.41Å; L107-M134 HydrophobicContact CD1-CE 3.85Å; T122-M134 VanDerWaalsContact CA-SD 3.55Å; T122-M134 HydrophobicContact CG2-SD 3.98Å; M125-M134 HydrophobicContact CB-SD 3.67Å; M125-M134 HydrophobicContact CG-SD 4.13Å; F126-M134 HydrophobicContact CD2-CG 4.26Å; F126-M134 HydrophobicContact CD2-SD 4.1Å; F126-M134 HydrophobicContact CE1-CG 4.43Å; F126-M134 HydrophobicContact CE2-CG 3.49Å; F126-M134 VanDerWaalsContact CE2-CG 3.49Å; F126-M134 HydrophobicContact CE2-SD 3.83Å; F126-M134 HydrophobicContact CZ-CG 3.62Å; F126-M134 HydrophobicContact CZ-SD 4.49Å; V131-M134 HydrophobicContact CG2-CB 4.06Å; M134-V136 HydrophobicContact CE-CG2 3.44Å; M134-V136 VanDerWaalsContact CE-CG2 3.44Å; M134-I359 PolarHBondContact N-O 3.1Å; M134-I359 WeakPolarHBondContact O-CB 3.35Å; M134-I359 PolarHBondContact O-N 3.41Å
135Y98.3Very high97.9Very high22 Ų2222.6 Ų22.69%0.08612%0.119CC..EExtended strand (participates in β ladder)trans-145.9148.1173.2-167.3-95.8000109.9T105 L106 L107 A137 F354 M357 K375 C376T105-Y135 PolarHBondContact O-N 3.34Å; T105-Y135 VanDerWaalsContact O-N 3.08Å; L106-Y135 CarbonylContact C-O 3.57Å; L106-Y135 WeakPolarHBondContact CA-O 3.38Å; L106-Y135 HydrophobicContact CD1-CD1 4.32Å; L107-Y135 PolarHBondContact N-O 3.03Å; Y135-A137 HydrophobicContact CD1-CB 4.03Å; Y135-A137 HydrophobicContact CE1-CB 3.91Å; Y135-F354 HydrophobicContact CD1-CE2 4.05Å; Y135-F354 AromaticContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD2-CE2 4.23Å; Y135-F354 AromaticContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CE1-CE2 4.02Å; Y135-F354 HydrophobicContact CE1-CZ 4.09Å; Y135-F354 HydrophobicContact CE2-CE2 4.21Å; Y135-F354 HydrophobicContact CE2-CZ 4.35Å; Y135-F354 HydrophobicContact CG-CE2 4.15Å; Y135-F354 AromaticContact CG-CZ 3.52Å; Y135-F354 HydrophobicContact CG-CZ 3.52Å; Y135-M357 WeakPolarHBondContact CD2-O 3.27Å; Y135-M357 HydrophobicContact CE2-CB 4.19Å; Y135-K375 WeakPolarHBondContact CE2-O 3.37Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.42Å; Y135-C376 HydrophobicContact CE2-CB 4.32Å; Y135-C376 VanDerWaalsContact CE2-SG 3.53Å
136V98Very high97.8Very high1 Ų123.7 Ų23.71%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-115.8125.5173-174.20000108.9L107 E109 M121 M134 V372 C376L107-V136 CarbonylContact O-C 3.57Å; L107-V136 VanDerWaalsContact O-CA 3.3Å; L107-V136 WeakPolarHBondContact O-CA 3.38Å; E109-V136 HydrophobicContact CB-CG1 3.91Å; E109-V136 HydrophobicContact CG-CG1 3.65Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.13Å; M121-V136 HydrophobicContact CE-CG1 3.8Å; M121-V136 HydrophobicContact CE-CG2 4.28Å; M134-V136 HydrophobicContact CE-CG2 3.44Å; M134-V136 VanDerWaalsContact CE-CG2 3.44Å; V136-V372 HydrophobicContact CB-CG2 4.36Å; V136-V372 HydrophobicContact CG2-CG2 4.02Å; V136-C376 HydrophobicContact CB-CB 4.39Å; V136-C376 PolarHBondContact N-SG 2.81Å; V136-C376 VanDerWaalsContact O-CB 3.31Å; V136-C376 WeakPolarHBondContact O-CB 3.46Å
137A97.4Very high97.7Very high8 Ų824.8 Ų24.87%0.06614%0.136CC..EExtended strand (participates in β ladder)trans-125.2143.9-178.500000112.3L106 L107 T108 E109 Y135 Q139 L142L106-A137 HydrophobicContact CD2-CB 4.34Å; L107-A137 PolarHBondContact O-N 3.44Å; T108-A137 CarbonylContact C-O 3.6Å; T108-A137 VanDerWaalsContact CA-O 3.27Å; T108-A137 WeakPolarHBondContact CA-O 3.43Å; E109-A137 PolarHBondContact N-O 3.34Å; Y135-A137 HydrophobicContact CD1-CB 4.03Å; Y135-A137 HydrophobicContact CE1-CB 3.91Å; A137-Q139 PolarHBondContact O-N 2.98Å; A137-L142 HydrophobicContact CB-CD1 3.88Å; A137-L142 HydrophobicContact CB-CD2 3.77Å; A137-L142 HydrophobicContact CB-CG 3.89Å
138I97.3Very high97.5Very high19 Ų1923.6 Ų23.610%0.09715%0.15CC..EExtended strand (participates in β ladder)trans-70.2127.5177.3-61.1172.6000109.5E109 P111 A140 V141 L142 A172E109-I138 HydrophobicContact CG-CG1 4.41Å; E109-I138 WeakPolarHBondContact O-CA 3.26Å; P111-I138 HydrophobicContact CB-CG2 4.13Å; I138-A140 VanDerWaalsContact C-N 3.3Å; I138-A140 HydrophobicContact CG2-CB 4.33Å; I138-A140 PolarHBondContact O-N 3.08Å; I138-V141 HydrophobicContact CB-CB 4.32Å; I138-V141 HydrophobicContact CB-CG2 3.93Å; I138-V141 HydrophobicContact CG2-CG2 4.23Å; I138-V141 WeakPolarHBondContact O-CB 3.39Å; I138-V141 PolarHBondContact O-N 3.23Å; I138-L142 PolarHBondContact O-N 2.88Å; I138-A172 HydrophobicContact CD1-CB 4.1Å
139Q98.2Very high97.3Very high16 Ų1623.1 Ų23.18%0.07514%0.14CC..Hα-helixtrans-51-47.1-177.4-72.2175.9-42.600112.8D13 T108 E109 A137 V141 L142 S143 V341D13-Q139 PolarHBondContact OD1-NE2 3.17Å; T108-Q139 PolarHBondContact OG1-NE2 3.21Å; E109-Q139 WeakPolarHBondContact O-CG 3.09Å; E109-Q139 PolarHBondContact O-N 3.25Å; A137-Q139 PolarHBondContact O-N 2.98Å; Q139-V141 VanDerWaalsContact C-N 3.35Å; Q139-V141 PolarHBondContact O-N 3.26Å; Q139-L142 PolarHBondContact O-N 2.97Å; Q139-S143 PolarHBondContact O-N 3.24Å; Q139-S143 PolarHBondContact O-OG 2.89Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.88Å; Q139-V341 HydrophobicContact CG-CG1 3.77Å; Q139-V341 HydrophobicContact CG-CG2 4.39Å
140A97.9Very high97.2Very high0 Ų026.5 Ų26.50%016%0.161CC..Hα-helixtrans-63.9-35.3179.700000113.8I138 S143 L144 V154 V165I138-A140 VanDerWaalsContact C-N 3.3Å; I138-A140 HydrophobicContact CG2-CB 4.33Å; I138-A140 PolarHBondContact O-N 3.08Å; A140-S143 PolarHBondContact O-N 2.83Å; A140-L144 PolarHBondContact O-N 2.74Å; A140-V154 HydrophobicContact CB-CB 4.03Å; A140-V154 HydrophobicContact CB-CG1 4.04Å; A140-V154 WeakPolarHBondContact O-CG2 3.49Å; A140-V165 HydrophobicContact CB-CB 3.54Å; A140-V165 HydrophobicContact CB-CG1 3.99Å; A140-V165 HydrophobicContact CB-CG2 3.48Å; A140-V165 VanDerWaalsContact CB-CG2 3.48Å
141V97.4Very high97.2Very high15 Ų1523.2 Ų23.29%0.09115%0.145CC..Hα-helixtrans-66.2-44.6176.8176.60000110.1I138 Q139 S143 L144 Y145 I167 A172I138-V141 HydrophobicContact CB-CB 4.32Å; I138-V141 HydrophobicContact CB-CG2 3.93Å; I138-V141 HydrophobicContact CG2-CG2 4.23Å; I138-V141 WeakPolarHBondContact O-CB 3.39Å; I138-V141 PolarHBondContact O-N 3.23Å; Q139-V141 VanDerWaalsContact C-N 3.35Å; Q139-V141 PolarHBondContact O-N 3.26Å; V141-S143 PolarHBondContact O-N 2.93Å; V141-L144 WeakPolarHBondContact O-CB 3.35Å; V141-L144 PolarHBondContact O-N 3.49Å; V141-Y145 HydrophobicContact CG1-CD2 4.45Å; V141-Y145 HydrophobicContact CG1-CE2 3.92Å; V141-Y145 PolarHBondContact O-N 3.05Å; V141-Y145 VanDerWaalsContact O-N 3.1Å; V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4Å; V141-I167 HydrophobicContact CG2-CG1 4.12Å; V141-A172 HydrophobicContact CG2-CB 4.05Å
142L97.9Very high97.2Very high0 Ų023.2 Ų23.20%015%0.145CC..Hα-helixtrans-61.2-44.5174.7-60.8-178.2000111.5L106 T108 A137 I138 Q139 L144 Y145 A146 V341 G344 L348L106-L142 HydrophobicContact CD2-CD1 4.06Å; T108-L142 HydrophobicContact CG2-CD1 3.65Å; A137-L142 HydrophobicContact CB-CD1 3.88Å; A137-L142 HydrophobicContact CB-CD2 3.77Å; A137-L142 HydrophobicContact CB-CG 3.89Å; I138-L142 PolarHBondContact O-N 2.88Å; Q139-L142 PolarHBondContact O-N 2.97Å; L142-L144 PolarHBondContact O-N 2.8Å; L142-Y145 HydrophobicContact CD2-CD2 4.46Å; L142-Y145 WeakPolarHBondContact O-CA 3.06Å; L142-Y145 WeakPolarHBondContact O-CB 3.33Å; L142-Y145 PolarHBondContact O-N 3.1Å; L142-A146 PolarHBondContact O-N 3.19Å; L142-V341 WeakPolarHBondContact CB-O 3.12Å; L142-V341 HydrophobicContact CD1-CG1 4.27Å; L142-G344 VanDerWaalsContact O-CA 3.25Å; L142-G344 WeakPolarHBondContact O-CA 3.47Å; L142-L348 HydrophobicContact CD2-CB 4.3Å; L142-L348 HydrophobicContact CD2-CD2 3.61Å
143S98.2Very high97.2Very high0 Ų020.9 Ų20.90%013%0.129CC..Hα-helixtrans-60.4-33.7176.7-69.80000113.4Q139 A140 V141 S147 S302 V341Q139-S143 PolarHBondContact O-N 3.24Å; Q139-S143 PolarHBondContact O-OG 2.89Å; A140-S143 PolarHBondContact O-N 2.83Å; V141-S143 PolarHBondContact O-N 2.93Å; S143-S147 PolarHBondContact O-N 3.15Å; S143-S302 WeakPolarHBondContact CB-OG 3.4Å; S143-S302 WeakPolarHBondContact OG-CB 3.37Å; S143-S302 PolarHBondContact OG-OG 3.03Å; S143-V341 WeakPolarHBondContact OG-CG2 3.41Å; S143-V341 PolarHBondContact OG-N 2.9Å
144L97.6Very high97.3Very high0 Ų020.3 Ų20.30%013%0.125CC..Hα-helixtrans-66.3-43.7173.1-168.966.7000111.4A140 V141 L142 A146 S147 R149 V154 I167 V300A140-L144 PolarHBondContact O-N 2.74Å; V141-L144 WeakPolarHBondContact O-CB 3.35Å; V141-L144 PolarHBondContact O-N 3.49Å; L142-L144 PolarHBondContact O-N 2.8Å; L144-A146 PolarHBondContact O-N 2.85Å; L144-S147 WeakPolarHBondContact O-CB 3.44Å; L144-S147 PolarHBondContact O-N 3.03Å; L144-S147 PolarHBondContact O-OG 3.18Å; L144-R149 CarbonylContact C-O 3.6Å; L144-R149 HydrophobicContact CD1-CB 3.77Å; L144-R149 HydrophobicContact CG-CB 3.93Å; L144-R149 WeakPolarHBondContact CG-O 3.24Å; L144-R149 PolarHBondContact O-N 2.87Å; L144-V154 HydrophobicContact CB-CG2 3.85Å; L144-V154 HydrophobicContact CD1-CG2 4.09Å; L144-V154 HydrophobicContact CG-CG2 4.5Å; L144-I167 HydrophobicContact CB-CD1 3.98Å; L144-I167 HydrophobicContact CD2-CB 3.68Å; L144-I167 HydrophobicContact CD2-CD1 3.78Å; L144-I167 HydrophobicContact CD2-CG1 4.36Å; L144-I167 HydrophobicContact CD2-CG2 3.58Å; L144-I167 HydrophobicContact CG-CD1 4.47Å; L144-V300 HydrophobicContact CD1-CB 4.49Å; L144-V300 HydrophobicContact CD1-CG2 3.73Å
145Y94.6Very high97.3Very high62 Ų6220.6 Ų20.624%0.24313%0.126CC..Hα-helixtrans-61-40175.2-68.7-20.1000112.9V141 L142 S147 G148 R149 T150 L348V141-Y145 HydrophobicContact CG1-CD2 4.45Å; V141-Y145 HydrophobicContact CG1-CE2 3.92Å; V141-Y145 PolarHBondContact O-N 3.05Å; V141-Y145 VanDerWaalsContact O-N 3.1Å; L142-Y145 HydrophobicContact CD2-CD2 4.46Å; L142-Y145 WeakPolarHBondContact O-CA 3.06Å; L142-Y145 WeakPolarHBondContact O-CB 3.33Å; L142-Y145 PolarHBondContact O-N 3.1Å; Y145-S147 PolarHBondContact O-N 3.48Å; Y145-S147 VanDerWaalsContact O-N 3.13Å; Y145-G148 WeakPolarHBondContact O-CA 3.45Å; Y145-G148 PolarHBondContact O-N 3.42Å; Y145-R149 WeakPolarHBondContact CD1-O 3.25Å; Y145-T150 HydrophobicContact CE1-CG2 4.18Å; Y145-L348 HydrophobicContact CD2-CB 4.48Å; Y145-L348 HydrophobicContact CD2-CD1 4.3Å; Y145-L348 HydrophobicContact CD2-CD2 4.47Å; Y145-L348 HydrophobicContact CE2-CD1 3.96Å; Y145-L348 HydrophobicContact CE2-CD2 4.26Å
146A96.5Very high97.3Very high23 Ų2320 Ų2019%0.1913%0.125CC..Hα-helixtrans-58.4-26.717400000112.9L142 L144 G148 S340 I343L142-A146 PolarHBondContact O-N 3.19Å; L144-A146 PolarHBondContact O-N 2.85Å; A146-G148 VanDerWaalsContact C-N 3.31Å; A146-S340 VanDerWaalsContact CB-O 3.25Å; A146-S340 WeakPolarHBondContact CB-O 3.41Å; A146-I343 HydrophobicContact CB-CB 4.14Å; A146-I343 HydrophobicContact CB-CG2 3.92Å
147S95.4Very high97.3Very high23 Ų2320.1 Ų20.116%0.16113%0.126CC..THydrogen-bonded Turntrans-84.7-1.4175.286.70000114S143 L144 Y145 R149S143-S147 PolarHBondContact O-N 3.15Å; L144-S147 WeakPolarHBondContact O-CB 3.44Å; L144-S147 PolarHBondContact O-N 3.03Å; L144-S147 PolarHBondContact O-OG 3.18Å; Y145-S147 PolarHBondContact O-N 3.48Å; Y145-S147 VanDerWaalsContact O-N 3.13Å; S147-R149 PolarHBondContact O-NH1 3.08Å; S147-R149 PolarHBondContact OG-NH1 3.45Å
148G94.6Very high97.4Very high73 Ų7320.8 Ų20.875%0.75313%0.134SC*.THydrogen-bonded Turntrans73.633.2-175.900000113.8Y145 A146Y145-G148 WeakPolarHBondContact O-CA 3.45Å; Y145-G148 PolarHBondContact O-N 3.42Å; A146-G148 VanDerWaalsContact C-N 3.31Å
149R95.8Very high97.4Very high64 Ų6421.7 Ų21.724%0.24214%0.139CC..  trans-129.3152.4-176.7-68175.4179.566.117.6111.4L144 Y145 S147 N298 I332L144-R149 CarbonylContact C-O 3.6Å; L144-R149 HydrophobicContact CD1-CB 3.77Å; L144-R149 HydrophobicContact CG-CB 3.93Å; L144-R149 WeakPolarHBondContact CG-O 3.24Å; L144-R149 PolarHBondContact O-N 2.87Å; Y145-R149 WeakPolarHBondContact CD1-O 3.25Å; S147-R149 PolarHBondContact O-NH1 3.08Å; S147-R149 PolarHBondContact OG-NH1 3.45Å; R149-N298 WeakPolarHBondContact CD-OD1 3.41Å; R149-N298 PolarHBondContact NE-OD1 2.94Å; R149-I332 VanDerWaalsContact CZ-CD1 3.46Å; R149-I332 VanDerWaalsContact NE-CD1 3.29Å
150T95.3Very high97.3Very high78 Ų7821 Ų2148%0.47914%0.136SC..SBendtrans-115.7-14.9172.855.30000112.7Y145 E169 G170Y145-T150 HydrophobicContact CE1-CG2 4.18Å; T150-E169 PolarHBondContact O-N 3.2Å; T150-E169 VanDerWaalsContact O-N 3.15Å; T150-G170 PolarHBondContact O-N 3.07Å
151T98Very high97.3Very high22 Ų2221.4 Ų21.414%0.13514%0.139CC..SBendtrans-128.1133.8176.1-61.80000110I167 Y168 E169 D294 L295T151-I167 WeakPolarHBondContact CA-O 3.28Å; T151-Y168 HydrophobicContact CG2-CD2 3.77Å; T151-Y168 HydrophobicContact CG2-CE2 4.38Å; T151-E169 PolarHBondContact OG1-N 3.26Å; T151-D294 HydrophobicContact CG2-CB 3.9Å; T151-L295 HydrophobicContact CG2-CD2 4.49Å
152G98.5Very high97.4Very high0 Ų020.7 Ų20.70%013%0.134CC..EExtended strand (participates in β ladder)trans161.2179.3-178.800000111.5I167 L295 N298G152-I167 PolarHBondContact N-O 2.8Å; G152-I167 PolarHBondContact O-N 3.04Å; G152-I167 VanDerWaalsContact O-O 3.05Å; G152-L295 VanDerWaalsContact C-CD2 3.44Å; G152-L295 VanDerWaalsContact O-CD2 3.31Å; G152-L295 WeakPolarHBondContact O-CD2 3.46Å; G152-N298 WeakPolarHBondContact CA-O 3.31Å
153I98.8Very high97.4Very high1 Ų120.8 Ų20.81%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-114.6135.8170.7-173.5165.5000108.9N164 V165 P166 T280 S283 I284 N298 N299 V300I153-N164 HydrophobicContact CD1-CB 4.32Å; I153-V165 WeakPolarHBondContact CA-O 3.06Å; I153-P166 HydrophobicContact CD1-CB 4.37Å; I153-P166 HydrophobicContact CG1-CB 4.38Å; I153-T280 HydrophobicContact CD1-CG2 3.93Å; I153-T280 HydrophobicContact CG2-CG2 4.24Å; I153-S283 WeakPolarHBondContact CD1-OG 3.29Å; I153-I284 HydrophobicContact CD1-CD1 4.36Å; I153-I284 HydrophobicContact CD1-CG1 3.69Å; I153-I284 HydrophobicContact CG2-CD1 4.1Å; I153-I284 HydrophobicContact CG2-CG1 4.34Å; I153-N298 PolarHBondContact N-O 3.41Å; I153-N299 HydrophobicContact CG2-CB 4.14Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.47Å; I153-N299 CarbonylContact O-C 3.18Å; I153-N299 WeakPolarHBondContact O-CA 3.48Å; I153-V300 PolarHBondContact O-N 3.47Å
154V98.8Very high97.4Very high0 Ų020.8 Ų20.80%014%0.135CC..EExtended strand (participates in β ladder)trans-109122.8177.51770000109A140 L144 D156 N164 V165 I167 V300A140-V154 HydrophobicContact CB-CB 4.03Å; A140-V154 HydrophobicContact CB-CG1 4.04Å; A140-V154 WeakPolarHBondContact O-CG2 3.49Å; L144-V154 HydrophobicContact CB-CG2 3.85Å; L144-V154 HydrophobicContact CD1-CG2 4.09Å; L144-V154 HydrophobicContact CG-CG2 4.5Å; V154-D156 HydrophobicContact CG1-CB 4.07Å; V154-N164 WeakPolarHBondContact O-CA 3.43Å; V154-V165 PolarHBondContact N-O 2.66Å; V154-V165 PolarHBondContact O-N 3.12Å; V154-I167 HydrophobicContact CG2-CD1 3.96Å; V154-V300 CarbonylContact C-O 3.29Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.46Å; V154-V300 HydrophobicContact CG2-CB 4.07Å
155L98.8Very high97.5Very high5 Ų520.8 Ų20.83%0.02614%0.135CC..EExtended strand (participates in β ladder)trans-88.798.4161.1173.764.3000107.1T162 H163 N164 I276 V300 L301 S302 M315L155-T162 HydrophobicContact CD1-CG2 3.47Å; L155-T162 VanDerWaalsContact CD1-CG2 3.47Å; L155-H163 CarbonylContact C-O 3.58Å; L155-H163 WeakPolarHBondContact CA-O 3.39Å; L155-N164 VanDerWaalsContact CD1-OD1 3.28Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.26Å; L155-I276 HydrophobicContact CD1-CB 4.17Å; L155-I276 HydrophobicContact CD1-CG2 4.26Å; L155-I276 HydrophobicContact CD2-CB 4.13Å; L155-I276 HydrophobicContact CD2-CD1 3.87Å; L155-I276 HydrophobicContact CD2-CG1 4.45Å; L155-V300 PolarHBondContact N-O 3.37Å; L155-L301 HydrophobicContact CB-CD2 3.97Å; L155-L301 HydrophobicContact CD2-CD2 3.92Å; L155-L301 HydrophobicContact CG-CD2 4.39Å; L155-S302 PolarHBondContact O-N 3.35Å; L155-M315 HydrophobicContact CD2-CE 3.8Å; L155-M315 HydrophobicContact CD2-SD 4.2Å
156D98.6Very high97.6Very high9 Ų917.9 Ų17.95%0.04812%0.123CC..EExtended strand (participates in β ladder)trans-99116.3175.2-172.155.1000109.6V154 T162 H163 S302V154-D156 HydrophobicContact CG1-CB 4.07Å; D156-T162 CarbonylContact O-C 3.53Å; D156-T162 VanDerWaalsContact O-CA 3.31Å; D156-T162 WeakPolarHBondContact O-CA 3.42Å; D156-H163 PolarHBondContact N-O 2.96Å; D156-H163 PolarHBondContact O-N 2.64Å; D156-S302 WeakPolarHBondContact CA-O 3.09Å; D156-S302 WeakPolarHBondContact OD1-CB 3.39Å; D156-S302 PolarHBondContact OD1-OG 3.11Å
157S98.7Very high97.7Very high4 Ų416.8 Ų16.83%0.02811%0.114CC..EExtended strand (participates in β ladder)trans-128.4105.4-179.7-169.70000110.7T162 S302 G303 G304 T305S157-T162 WeakPolarHBondContact CB-OG1 3.43Å; S157-T162 PolarHBondContact OG-OG1 2.78Å; S157-S302 PolarHBondContact N-O 3.1Å; S157-G303 CarbonylContact O-C 3.28Å; S157-G303 WeakPolarHBondContact O-CA 3.5Å; S157-G304 PolarHBondContact O-N 2.84Å; S157-T305 WeakPolarHBondContact O-CB 3.27Å; S157-T305 PolarHBondContact O-N 2.88Å; S157-T305 VanDerWaalsContact OG-CB 3.26Å; S157-T305 WeakPolarHBondContact OG-CB 3.47Å; S157-T305 VanDerWaalsContact OG-CG2 3.29Å; S157-T305 WeakPolarHBondContact OG-CG2 3.47Å
158G97.8Very high97.9Very high23 Ų2319.6 Ų19.624%0.23712%0.122CC..  trans-92.6-152.6-178.200000113.2V161 A183 G184 T305G158-V161 PolarHBondContact N-O 3.17Å; G158-A183 WeakPolarHBondContact O-CB 3.21Å; G158-G184 PolarHBondContact O-N 3.48Å; G158-G184 VanDerWaalsContact O-N 3.17Å; G158-T305 PolarHBondContact O-OG1 3.37Å
159D97.4Very high97.9Very high37 Ų3721.7 Ų21.720%0.19811%0.112CC..SBendtrans-79.9-36.5171.6-17660.8000111.9A183 G184 R185D159-A183 WeakPolarHBondContact O-CB 3.41Å; D159-G184 PolarHBondContact O-N 2.77Å; D159-G184 VanDerWaalsContact O-N 3.14Å; D159-R185 VanDerWaalsContact O-CB 3.29Å; D159-R185 WeakPolarHBondContact O-CB 3.31Å; D159-R185 PolarHBondContact O-N 3.47Å; D159-R185 PolarHBondContact OD1-N 3.14Å; D159-R185 IonicContact OD2-CZ 3.56Å; D159-R185 IonicContact OD2-NE 3.41Å; D159-R185 PolarHBondContact OD2-NE 3.16Å; D159-R185 IonicContact OD2-NH2 2.81Å; D159-R185 PolarHBondContact OD2-NH2 2.89Å
160G96.8Very high97.8Very high3 Ų319.2 Ų19.23%0.03111%0.107CC..SBendtrans-103.9-22.4-171.300000115.7H75H75-G160 WeakPolarHBondContact CA-O 3.26Å; H75-G160 PolarHBondContact CD2-O 3.16Å
161V97.8Very high97.7Very high8 Ų822.9 Ų22.95%0.04811%0.113CC..  trans-159.2154.3-172.960.80000111.2H75 G158 H163 R179H75-V161 HydrophobicContact CB-CB 4.33Å; G158-V161 PolarHBondContact N-O 3.17Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.25Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.19Å; V161-R179 HydrophobicContact CG2-CG 4.01Å
162T98.6Very high97.7Very high0 Ų022.6 Ų22.60%011%0.113CC..EExtended strand (participates in β ladder)trans-118135.1172.9-600000110.6L155 D156 S157 L180 L182 I276L155-T162 HydrophobicContact CD1-CG2 3.47Å; L155-T162 VanDerWaalsContact CD1-CG2 3.47Å; D156-T162 CarbonylContact O-C 3.53Å; D156-T162 VanDerWaalsContact O-CA 3.31Å; D156-T162 WeakPolarHBondContact O-CA 3.42Å; S157-T162 WeakPolarHBondContact CB-OG1 3.43Å; S157-T162 PolarHBondContact OG-OG1 2.78Å; T162-L180 PolarHBondContact N-O 2.86Å; T162-L180 PolarHBondContact O-N 3.26Å; T162-L182 WeakPolarHBondContact CB-O 3.49Å; T162-L182 PolarHBondContact OG1-O 3.38Å; T162-I276 HydrophobicContact CG2-CG2 3.91Å
163H98.4Very high97.6Very high1 Ų124.1 Ų24.11%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-129.5141.4177.5-60.7104000111.6P111 L155 D156 V161 V165 M178P111-H163 HydrophobicContact CG-CB 3.86Å; P111-H163 VanDerWaalsContact CG-CD2 3.41Å; P111-H163 WeakPolarHBondContact CG-CD2 3.43Å; P111-H163 VanDerWaalsContact CG-CG 3.45Å; L155-H163 CarbonylContact C-O 3.58Å; L155-H163 WeakPolarHBondContact CA-O 3.39Å; D156-H163 PolarHBondContact N-O 2.96Å; D156-H163 PolarHBondContact O-N 2.64Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.25Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.19Å; H163-V165 HydrophobicContact CB-CG2 3.93Å; H163-M178 CarbonylContact C-O 3.56Å; H163-M178 WeakPolarHBondContact CA-O 3.49Å
164N98.6Very high97.5Very high1 Ų128.2 Ų28.21%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-107.5115.9161-68.7-72.3000108.6I153 V154 L155 I177 M178 T279 T280I153-N164 HydrophobicContact CD1-CB 4.32Å; V154-N164 WeakPolarHBondContact O-CA 3.43Å; L155-N164 VanDerWaalsContact CD1-OD1 3.28Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.26Å; N164-I177 WeakPolarHBondContact O-CA 3.28Å; N164-M178 HydrophobicContact CB-CB 4.2Å; N164-M178 PolarHBondContact N-O 3.34Å; N164-M178 PolarHBondContact O-N 2.93Å; N164-T279 PolarHBondContact ND2-OG1 3.31Å; N164-T280 PolarHBondContact ND2-N 2.93Å; N164-T280 PolarHBondContact OD1-OG1 2.81Å
165V98.7Very high97.4Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-121.2105.5-174.6-171.90000109P111 A140 I153 V154 H163 I167 A172 I177P111-V165 HydrophobicContact CB-CG2 4.11Å; P111-V165 HydrophobicContact CG-CG2 3.78Å; A140-V165 HydrophobicContact CB-CB 3.54Å; A140-V165 HydrophobicContact CB-CG1 3.99Å; A140-V165 HydrophobicContact CB-CG2 3.48Å; A140-V165 VanDerWaalsContact CB-CG2 3.48Å; I153-V165 WeakPolarHBondContact CA-O 3.06Å; V154-V165 PolarHBondContact N-O 2.66Å; V154-V165 PolarHBondContact O-N 3.12Å; H163-V165 HydrophobicContact CB-CG2 3.93Å; V165-I167 HydrophobicContact CG1-CD1 4.36Å; V165-I167 HydrophobicContact CG1-CG1 4.03Å; V165-A172 HydrophobicContact CG1-CB 3.82Å; V165-I177 HydrophobicContact CG1-CD1 4.12Å; V165-I177 HydrophobicContact CG1-CG1 4.18Å; V165-I177 HydrophobicContact CG2-CG2 4.32Å
166P98.7Very high97.4Very high0 Ų033.4 Ų33.40%017%0.171CC..EExtended strand (participates in β ladder)trans-78.8132.7172.829.3-25.8000109.1I153 L173 A176 S283 C287 L295I153-P166 HydrophobicContact CD1-CB 4.37Å; I153-P166 HydrophobicContact CG1-CB 4.38Å; P166-L173 HydrophobicContact CB-CD1 4.3Å; P166-L173 HydrophobicContact CG-CB 4.2Å; P166-L173 PolarHBondContact O-N 2.88Å; P166-A176 HydrophobicContact CG-CB 3.54Å; P166-S283 VanDerWaalsContact CD-OG 3.27Å; P166-S283 WeakPolarHBondContact CD-OG 3.49Å; P166-S283 WeakPolarHBondContact CG-OG 3.5Å; P166-C287 VanDerWaalsContact CB-SG 3.58Å; P166-L295 HydrophobicContact CB-CD1 4.05Å; P166-L295 HydrophobicContact CB-CD2 4.33Å
167I98.6Very high97.4Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-129.9133.3-173.6-60.8153.5000107.8V141 L144 T151 G152 V154 V165 Y171 A172V141-I167 HydrophobicContact CB-CD1 4.45Å; V141-I167 HydrophobicContact CG2-CD1 4Å; V141-I167 HydrophobicContact CG2-CG1 4.12Å; L144-I167 HydrophobicContact CB-CD1 3.98Å; L144-I167 HydrophobicContact CD2-CB 3.68Å; L144-I167 HydrophobicContact CD2-CD1 3.78Å; L144-I167 HydrophobicContact CD2-CG1 4.36Å; L144-I167 HydrophobicContact CD2-CG2 3.58Å; L144-I167 HydrophobicContact CG-CD1 4.47Å; T151-I167 WeakPolarHBondContact CA-O 3.28Å; G152-I167 PolarHBondContact N-O 2.8Å; G152-I167 PolarHBondContact O-N 3.04Å; G152-I167 VanDerWaalsContact O-O 3.05Å; V154-I167 HydrophobicContact CG2-CD1 3.96Å; V165-I167 HydrophobicContact CG1-CD1 4.36Å; V165-I167 HydrophobicContact CG1-CG1 4.03Å; I167-Y171 CarbonylContact C-O 3.55Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.39Å; I167-A172 HydrophobicContact CG1-CB 4.35Å
168Y97.6Very high97.4Very high82 Ų8235.3 Ų35.332%0.32218%0.18SC..EExtended strand (participates in β ladder)trans-129.3123.4177.7-177.7-96.7000109.3T151 G170 Y171 I291T151-Y168 HydrophobicContact CG2-CD2 3.77Å; T151-Y168 HydrophobicContact CG2-CE2 4.38Å; Y168-G170 PolarHBondContact O-N 2.84Å; Y168-G170 VanDerWaalsContact O-N 3.13Å; Y168-Y171 PolarHBondContact N-O 3.28Å; Y168-Y171 PolarHBondContact O-N 3.27Å; Y168-I291 HydrophobicContact CD2-CB 4Å; Y168-I291 HydrophobicContact CD2-CD1 4.3Å; Y168-I291 HydrophobicContact CD2-CG2 3.55Å; Y168-I291 HydrophobicContact CE2-CB 4.26Å; Y168-I291 HydrophobicContact CE2-CG2 3.46Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.46Å; Y168-I291 HydrophobicContact CG-CD1 4.45Å; Y168-I291 HydrophobicContact CG-CG2 4.32Å
169E95.2Very high97.3Very high117 Ų11738.6 Ų38.655%0.54719%0.185SC..THydrogen-bonded Turntrans50.837.5-179.8-65.8-179.7-175.300113.7T150 T151 Y171T150-E169 PolarHBondContact O-N 3.2Å; T150-E169 VanDerWaalsContact O-N 3.15Å; T151-E169 PolarHBondContact OG1-N 3.26Å; E169-Y171 VanDerWaalsContact C-N 3.35Å; E169-Y171 VanDerWaalsContact O-CD2 3.32Å; E169-Y171 WeakPolarHBondContact O-CD2 3.42Å
170G93.3Very high97.3Very high12 Ų1237 Ų3712%0.12418%0.177CC..THydrogen-bonded Turntrans88.2-8.118000000114.9T150 Y168T150-G170 PolarHBondContact O-N 3.07Å; Y168-G170 PolarHBondContact O-N 2.84Å; Y168-G170 VanDerWaalsContact O-N 3.13Å
171Y94.5Very high97.2Very high156 Ų15640.1 Ų40.161%0.61219%0.193SC*.EExtended strand (participates in β ladder)trans-100.4123.4-179.7-60.8-85.3000111.4I167 Y168 E169I167-Y171 CarbonylContact C-O 3.55Å; I167-Y171 VanDerWaalsContact CA-O 3.3Å; I167-Y171 WeakPolarHBondContact CA-O 3.39Å; Y168-Y171 PolarHBondContact N-O 3.28Å; Y168-Y171 PolarHBondContact O-N 3.27Å; E169-Y171 VanDerWaalsContact C-N 3.35Å; E169-Y171 VanDerWaalsContact O-CD2 3.32Å; E169-Y171 WeakPolarHBondContact O-CD2 3.42Å
172A97.1Very high97.2Very high16 Ų1639.7 Ų39.713%0.13219%0.19CC..EExtended strand (participates in β ladder)trans-65.6141.9169.400000110.1I138 V141 V165 I167 P174I138-A172 HydrophobicContact CD1-CB 4.1Å; V141-A172 HydrophobicContact CG2-CB 4.05Å; V165-A172 HydrophobicContact CG1-CB 3.82Å; I167-A172 HydrophobicContact CG1-CB 4.35Å; A172-P174 WeakPolarHBondContact O-CD 3.47Å
173L97.6Very high97.2Very high32 Ų3239.7 Ų39.717%0.16819%0.19CC..  trans-98.395.9-179.9-55.6174.9000110.2P166 H175 A176 I177 C287 I291P166-L173 HydrophobicContact CB-CD1 4.3Å; P166-L173 HydrophobicContact CG-CB 4.2Å; P166-L173 PolarHBondContact O-N 2.88Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.22Å; L173-A176 HydrophobicContact CB-CB 4.44Å; L173-A176 PolarHBondContact O-N 2.78Å; L173-I177 PolarHBondContact O-N 3.3Å; L173-C287 HydrophobicContact CD1-CB 4.46Å; L173-I291 HydrophobicContact CD1-CD1 3.51Å
174P96.5Very high97.2Very high86 Ų8639.7 Ų39.756%0.55819%0.191SC*.G310 helixtrans-64.6-32.6-163.4-23.837000114.1A172 A176 I177A172-P174 WeakPolarHBondContact O-CD 3.47Å; P174-A176 PolarHBondContact O-N 2.93Å; P174-I177 PolarHBondContact O-N 3.05Å
175H96.9Very high97.1Very high115 Ų11541.9 Ų41.953%0.53220%0.199SC..G310 helixtrans-67.2-19.1179.465.2-86.7000113.5L173L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.22Å
176A98.3Very high97.1Very high0 Ų043.9 Ų43.90%021%0.209CC..G310 helixtrans-110.13.6-176.700000113.2P166 L173 P174 M178 S283 K286P166-A176 HydrophobicContact CG-CB 3.54Å; L173-A176 HydrophobicContact CB-CB 4.44Å; L173-A176 PolarHBondContact O-N 2.78Å; P174-A176 PolarHBondContact O-N 2.93Å; A176-M178 PolarHBondContact O-N 2.89Å; A176-S283 WeakPolarHBondContact O-CB 3.44Å; A176-S283 PolarHBondContact O-OG 2.84Å; A176-K286 HydrophobicContact CB-CB 3.7Å
177I98.5Very high97.1Very high16 Ų1643.9 Ų43.98%0.08221%0.209CC..  trans-69.7131175.1-61.4179.9000109.5P111 L112 N164 V165 L173 P174P111-I177 HydrophobicContact CB-CD1 3.8Å; P111-I177 HydrophobicContact CB-CG2 4.12Å; P111-I177 HydrophobicContact CG-CG2 4.24Å; L112-I177 HydrophobicContact CD1-CB 4.39Å; L112-I177 HydrophobicContact CD1-CG2 4.04Å; L112-I177 HydrophobicContact CD2-CD1 4.22Å; L112-I177 HydrophobicContact CG-CD1 4.42Å; L112-I177 HydrophobicContact CG-CG2 4.27Å; N164-I177 WeakPolarHBondContact O-CA 3.28Å; V165-I177 HydrophobicContact CG1-CD1 4.12Å; V165-I177 HydrophobicContact CG1-CG1 4.18Å; V165-I177 HydrophobicContact CG2-CG2 4.32Å; L173-I177 PolarHBondContact O-N 3.3Å; P174-I177 PolarHBondContact O-N 3.05Å
178M98.1Very high97.1Very high37 Ų3743.9 Ų43.918%0.18221%0.209CC..EExtended strand (participates in β ladder)trans-110.5128.7171.9-56.1-65.2-67.400108.8H163 N164 A176 T279 N282 K286H163-M178 CarbonylContact C-O 3.56Å; H163-M178 WeakPolarHBondContact CA-O 3.49Å; N164-M178 HydrophobicContact CB-CB 4.2Å; N164-M178 PolarHBondContact N-O 3.34Å; N164-M178 PolarHBondContact O-N 2.93Å; A176-M178 PolarHBondContact O-N 2.89Å; M178-T279 HydrophobicContact CE-CG2 4.46Å; M178-T279 WeakPolarHBondContact CG-O 3.38Å; M178-N282 HydrophobicContact CE-CB 4.41Å; M178-K286 HydrophobicContact SD-CD 4.16Å; M178-K286 PolarHBondContact SD-NZ 3.36Å
179R96.6Very high97.1Very high91 Ų9143.3 Ų43.334%0.34321%0.212SC..EExtended strand (participates in β ladder)trans-112.7138.1176.6175.3172.8166170.4-2.8109.6H75 V161 D181H75-R179 PolarHBondContact O-NH2 2.64Å; V161-R179 HydrophobicContact CG2-CG 4.01Å; R179-D181 IonicContact CZ-OD1 3.2Å; R179-D181 VanDerWaalsContact CZ-OD1 3.28Å; R179-D181 IonicContact CZ-OD2 3.77Å; R179-D181 IonicContact NE-OD1 2.62Å; R179-D181 PolarHBondContact NE-OD1 2.94Å; R179-D181 IonicContact NE-OD2 3.07Å; R179-D181 IonicContact NH2-OD1 2.88Å; R179-D181 PolarHBondContact NH2-OD1 3.24Å; R179-D181 IonicContact NH2-OD2 3.27Å; R179-D181 PolarHBondContact NH2-OD2 2.99Å
180L96.6Very high97.2Very high5 Ų538.8 Ų38.83%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-133.9113.5176.6-172.872.4000108.5T162 L182 M271 S273 I276T162-L180 PolarHBondContact N-O 2.86Å; T162-L180 PolarHBondContact O-N 3.26Å; L180-L182 HydrophobicContact CD2-CB 4.02Å; L180-L182 HydrophobicContact CD2-CD2 4.24Å; L180-L182 HydrophobicContact CD2-CG 4.47Å; L180-L182 HydrophobicContact CG-CB 3.92Å; L180-L182 PolarHBondContact O-N 3.45Å; L180-M271 HydrophobicContact CD1-CE 3.47Å; L180-M271 VanDerWaalsContact CD1-CE 3.47Å; L180-M271 HydrophobicContact CD1-SD 4.27Å; L180-M271 HydrophobicContact CD2-CE 4.37Å; L180-M271 HydrophobicContact CG-CE 3.97Å; L180-S273 WeakPolarHBondContact CD1-OG 3.5Å; L180-I276 HydrophobicContact CD2-CG2 4.2Å
181D95.8Very high97.5Very high67 Ų6738.2 Ų38.236%0.35818%0.184SC..SBendtrans-78.556.2174.9-68.9-13.7000110R179R179-D181 IonicContact CZ-OD1 3.2Å; R179-D181 VanDerWaalsContact CZ-OD1 3.28Å; R179-D181 IonicContact CZ-OD2 3.77Å; R179-D181 IonicContact NE-OD1 2.62Å; R179-D181 PolarHBondContact NE-OD1 2.94Å; R179-D181 IonicContact NE-OD2 3.07Å; R179-D181 IonicContact NH2-OD1 2.88Å; R179-D181 PolarHBondContact NH2-OD1 3.24Å; R179-D181 IonicContact NH2-OD2 3.27Å; R179-D181 PolarHBondContact NH2-OD2 2.99Å
182L98Very high97.7Very high0 Ų032 Ų320%016%0.161CC..  trans-141.2119.2173.1164.959.9000108T162 L180 D186 L187 T262 L263 P266 I269 M271T162-L182 WeakPolarHBondContact CB-O 3.49Å; T162-L182 PolarHBondContact OG1-O 3.38Å; L180-L182 HydrophobicContact CD2-CB 4.02Å; L180-L182 HydrophobicContact CD2-CD2 4.24Å; L180-L182 HydrophobicContact CD2-CG 4.47Å; L180-L182 HydrophobicContact CG-CB 3.92Å; L180-L182 PolarHBondContact O-N 3.45Å; L182-D186 WeakPolarHBondContact CA-OD2 3.4Å; L182-D186 HydrophobicContact CD1-CB 3.61Å; L182-L187 HydrophobicContact CD1-CD2 4.27Å; L182-T262 VanDerWaalsContact CD2-O 3.24Å; L182-T262 WeakPolarHBondContact CD2-O 3.35Å; L182-L263 HydrophobicContact CG-CD2 4.28Å; L182-P266 HydrophobicContact CD2-CB 4.09Å; L182-P266 HydrophobicContact CD2-CG 4.08Å; L182-I269 HydrophobicContact CD1-CD1 3.52Å; L182-I269 HydrophobicContact CD2-CD1 4.16Å; L182-I269 HydrophobicContact CG-CD1 4.37Å; L182-M271 HydrophobicContact CB-CE 3.42Å; L182-M271 VanDerWaalsContact CB-CE 3.42Å; L182-M271 HydrophobicContact CB-SD 4.41Å; L182-M271 HydrophobicContact CD2-CE 3.59Å; L182-M271 HydrophobicContact CG-CE 4.09Å
183A98.3Very high97.7Very high0 Ų037 Ų370%018%0.18CC..SBendtrans-157.9-160.4-17700000111.9G158 D159 R185 D186 L187G158-A183 WeakPolarHBondContact O-CB 3.21Å; D159-A183 WeakPolarHBondContact O-CB 3.41Å; A183-R185 PolarHBondContact O-N 2.92Å; A183-R185 VanDerWaalsContact O-N 3.11Å; A183-D186 PolarHBondContact N-OD2 3.48Å; A183-D186 PolarHBondContact O-N 2.8Å; A183-L187 WeakPolarHBondContact O-CG 3.39Å; A183-L187 PolarHBondContact O-N 3.48Å; A183-L187 VanDerWaalsContact O-N 3.08Å
184G98.3Very high97.7Very high1 Ų135.4 Ų35.41%0.0117%0.172CC..Hα-helixtrans-51.2-39-172.400000114.4G158 D159 L187 T188 K215 T305G158-G184 PolarHBondContact O-N 3.48Å; G158-G184 VanDerWaalsContact O-N 3.17Å; D159-G184 PolarHBondContact O-N 2.77Å; D159-G184 VanDerWaalsContact O-N 3.14Å; G184-L187 PolarHBondContact O-N 2.71Å; G184-T188 PolarHBondContact O-N 3.45Å; G184-T188 PolarHBondContact O-OG1 2.96Å; G184-K215 PolarHBondContact O-NZ 3.43Å; G184-T305 WeakPolarHBondContact CA-OG1 3.47Å; G184-T305 PolarHBondContact N-OG1 3.16Å; G184-T305 VanDerWaalsContact N-OG1 3.16Å
185R97.1Very high97.8Very high47 Ų4731.3 Ų31.318%0.17715%0.145CC..Hα-helixtrans-64.6-48.9-178.3-168.4170.3-64.5177.64.4111.5S16 D159 A183 L187 T188 D189 R208S16-R185 PolarHBondContact O-NH2 2.68Å; D159-R185 VanDerWaalsContact O-CB 3.29Å; D159-R185 WeakPolarHBondContact O-CB 3.31Å; D159-R185 PolarHBondContact O-N 3.47Å; D159-R185 PolarHBondContact OD1-N 3.14Å; D159-R185 IonicContact OD2-CZ 3.56Å; D159-R185 IonicContact OD2-NE 3.41Å; D159-R185 PolarHBondContact OD2-NE 3.16Å; D159-R185 IonicContact OD2-NH2 2.81Å; D159-R185 PolarHBondContact OD2-NH2 2.89Å; A183-R185 PolarHBondContact O-N 2.92Å; A183-R185 VanDerWaalsContact O-N 3.11Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.01Å; R185-T188 WeakPolarHBondContact O-CB 3.1Å; R185-T188 PolarHBondContact O-N 3.04Å; R185-T188 VanDerWaalsContact O-N 3.15Å; R185-D189 PolarHBondContact O-N 3.16Å; R185-D189 VanDerWaalsContact O-N 3.1Å; R185-R208 PolarHBondContact O-NH2 3.12Å
186D98Very high97.8Very high42 Ų4228.9 Ų28.923%0.22514%0.138CC..Hα-helixtrans-65.2-37179.1-45-75.2000111.2L182 A183 T188 D189 Y190L182-D186 WeakPolarHBondContact CA-OD2 3.4Å; L182-D186 HydrophobicContact CD1-CB 3.61Å; A183-D186 PolarHBondContact N-OD2 3.48Å; A183-D186 PolarHBondContact O-N 2.8Å; D186-T188 VanDerWaalsContact C-N 3.33Å; D186-T188 PolarHBondContact O-N 3.13Å; D186-D189 PolarHBondContact O-N 3.38Å; D186-Y190 WeakPolarHBondContact O-CB 3.37Å; D186-Y190 PolarHBondContact O-N 3.43Å
187L98.6Very high97.7Very high0 Ų034.1 Ų34.10%016%0.163CC..Hα-helixtrans-63.3-38.9174.1-63.6-175000112.1L182 A183 G184 R185 L191 K215 C259 T262 L263 T305 Y308L182-L187 HydrophobicContact CD1-CD2 4.27Å; A183-L187 WeakPolarHBondContact O-CG 3.39Å; A183-L187 PolarHBondContact O-N 3.48Å; A183-L187 VanDerWaalsContact O-N 3.08Å; G184-L187 PolarHBondContact O-N 2.71Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.01Å; L187-L191 WeakPolarHBondContact O-CB 3.24Å; L187-L191 PolarHBondContact O-N 2.73Å; L187-K215 HydrophobicContact CB-CD 3.86Å; L187-C259 WeakPolarHBondContact CD2-O 3.23Å; L187-C259 PolarHBondContact O-SG 3.2Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.36Å; L187-L263 HydrophobicContact CD1-CD1 4.08Å; L187-L263 HydrophobicContact CD1-CD2 4.21Å; L187-L263 HydrophobicContact CD1-CG 4.09Å; L187-L263 HydrophobicContact CD2-CG 4.36Å; L187-T305 HydrophobicContact CD1-CG2 3.76Å; L187-Y308 HydrophobicContact CD1-CE2 3.67Å; L187-Y308 WeakPolarHBondContact CD1-OH 2.92Å
188T98.3Very high97.4Very high0 Ų037.3 Ų37.30%017%0.174CC..Hα-helixtrans-63-45173.8-61.20000110.6G184 R185 D186 L191 M192 R208 V211 R212 K215G184-T188 PolarHBondContact O-N 3.45Å; G184-T188 PolarHBondContact O-OG1 2.96Å; R185-T188 WeakPolarHBondContact O-CB 3.1Å; R185-T188 PolarHBondContact O-N 3.04Å; R185-T188 VanDerWaalsContact O-N 3.15Å; D186-T188 VanDerWaalsContact C-N 3.33Å; D186-T188 PolarHBondContact O-N 3.13Å; T188-L191 PolarHBondContact O-N 3.27Å; T188-M192 WeakPolarHBondContact O-CG 3.34Å; T188-M192 PolarHBondContact O-N 2.94Å; T188-R208 HydrophobicContact CG2-CG 3.98Å; T188-V211 HydrophobicContact CG2-CB 4.41Å; T188-V211 HydrophobicContact CG2-CG1 4.25Å; T188-R212 HydrophobicContact CG2-CB 4.02Å; T188-K215 WeakPolarHBondContact OG1-CE 2.95Å; T188-K215 PolarHBondContact OG1-NZ 3.12Å
189D97.5Very high97.4Very high70 Ų7038.4 Ų38.437%0.37420%0.195SC..Hα-helixtrans-67.7-38.4-178.5-63.4-27.8000111.8R185 D186 M192 K193 R208R185-D189 PolarHBondContact O-N 3.16Å; R185-D189 VanDerWaalsContact O-N 3.1Å; D186-D189 PolarHBondContact O-N 3.38Å; D189-M192 WeakPolarHBondContact O-CB 3.42Å; D189-M192 PolarHBondContact O-N 3.36Å; D189-K193 PolarHBondContact O-N 3.08Å; D189-K193 VanDerWaalsContact O-N 3.17Å; D189-R208 VanDerWaalsContact CG-NH2 3.3Å; D189-R208 IonicContact OD1-CZ 3.31Å; D189-R208 IonicContact OD1-NE 3.87Å; D189-R208 PolarHBondContact OD1-NE 3.27Å; D189-R208 IonicContact OD1-NH2 3.86Å; D189-R208 PolarHBondContact OD1-NH2 2.89Å; D189-R208 IonicContact OD2-NH2 3.98Å; D189-R208 PolarHBondContact OD2-NH2 3.33Å
190Y98.3Very high97.3Very high21 Ų2137 Ų378%0.08219%0.19CC..Hα-helixtrans-66.3-39.6172.7179.8-123.3000112.1D186 M192 K193 I194 R258 C259 T262 I269D186-Y190 WeakPolarHBondContact O-CB 3.37Å; D186-Y190 PolarHBondContact O-N 3.43Å; Y190-M192 VanDerWaalsContact C-N 3.31Å; Y190-M192 PolarHBondContact O-N 3.06Å; Y190-K193 HydrophobicContact CD2-CD 4.38Å; Y190-K193 WeakPolarHBondContact O-CB 3.15Å; Y190-K193 PolarHBondContact O-N 3.02Å; Y190-K193 VanDerWaalsContact O-N 3.13Å; Y190-I194 HydrophobicContact CD1-CD1 4.37Å; Y190-I194 HydrophobicContact CD2-CG2 4.12Å; Y190-I194 HydrophobicContact CE1-CD1 4.06Å; Y190-I194 HydrophobicContact CE1-CG2 4.19Å; Y190-I194 HydrophobicContact CE2-CG2 3.51Å; Y190-I194 PolarHBondContact O-N 2.98Å; Y190-R258 WeakPolarHBondContact CE1-O 3.32Å; Y190-C259 HydrophobicContact CD1-CB 4.5Å; Y190-T262 HydrophobicContact CD1-CG2 3.36Å; Y190-T262 HydrophobicContact CE1-CG2 3.28Å; Y190-T262 HydrophobicContact CG-CG2 4.15Å; Y190-I269 HydrophobicContact CD1-CG2 4.1Å; Y190-I269 HydrophobicContact CD2-CG2 3.5Å; Y190-I269 HydrophobicContact CE2-CG2 4.02Å; Y190-I269 HydrophobicContact CG-CG2 3.54Å
191L98.6Very high97.3Very high0 Ų040.3 Ų40.30%021%0.213CC..Hα-helixtrans-61-41.4174.4-173.959.1000111.3L187 T188 K193 I194 L195 V211 I214 K215 E255 C259L187-L191 WeakPolarHBondContact O-CB 3.24Å; L187-L191 PolarHBondContact O-N 2.73Å; T188-L191 PolarHBondContact O-N 3.27Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 2.85Å; L191-I194 HydrophobicContact CD1-CD1 3.98Å; L191-I194 HydrophobicContact CD1-CG1 3.99Å; L191-I194 WeakPolarHBondContact O-CG1 3.44Å; L191-I194 PolarHBondContact O-N 2.94Å; L191-L195 HydrophobicContact CD1-CD1 4.18Å; L191-L195 HydrophobicContact CD1-CD2 4.42Å; L191-L195 HydrophobicContact CD1-CG 3.98Å; L191-L195 HydrophobicContact CD2-CD1 4.43Å; L191-L195 HydrophobicContact CG-CD1 3.82Å; L191-L195 HydrophobicContact CG-CG 4.11Å; L191-L195 VanDerWaalsContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 WeakPolarHBondContact O-CG 3.38Å; L191-L195 PolarHBondContact O-N 3.35Å; L191-V211 HydrophobicContact CB-CG1 3.81Å; L191-V211 HydrophobicContact CD2-CG1 3.77Å; L191-V211 HydrophobicContact CG-CG1 3.7Å; L191-I214 HydrophobicContact CD2-CB 4.48Å; L191-I214 HydrophobicContact CD2-CG2 4.1Å; L191-K215 HydrophobicContact CD2-CB 3.59Å; L191-K215 HydrophobicContact CD2-CG 4.26Å; L191-E255 HydrophobicContact CD1-CB 3.91Å; L191-C259 HydrophobicContact CB-CB 4.37Å; L191-C259 HydrophobicContact CD1-CB 4.04Å
192M98.2Very high97.2Very high27 Ų2737.8 Ų37.813%0.13320%0.199CC..Hα-helixtrans-56.4-43174-68.2176.267.800111.5T188 D189 Y190 T196 F202 R208 V211T188-M192 WeakPolarHBondContact O-CG 3.34Å; T188-M192 PolarHBondContact O-N 2.94Å; D189-M192 WeakPolarHBondContact O-CB 3.42Å; D189-M192 PolarHBondContact O-N 3.36Å; Y190-M192 VanDerWaalsContact C-N 3.31Å; Y190-M192 PolarHBondContact O-N 3.06Å; M192-T196 PolarHBondContact O-N 3Å; M192-T196 PolarHBondContact O-OG1 3.25Å; M192-F202 HydrophobicContact CE-CB 4.15Å; M192-F202 WeakPolarHBondContact CE-O 3.44Å; M192-R208 HydrophobicContact CE-CB 4.26Å; M192-R208 HydrophobicContact SD-CB 3.88Å; M192-R208 HydrophobicContact SD-CG 3.64Å; M192-V211 HydrophobicContact CB-CG1 4.45Å; M192-V211 HydrophobicContact CG-CB 3.81Å; M192-V211 HydrophobicContact CG-CG1 3.6Å; M192-V211 HydrophobicContact CG-CG2 3.85Å
193K97.7Very high97Very high119 Ų11943.2 Ų43.252%0.51723%0.232SC..Hα-helixtrans-62-52.8177.9-179.5-175172.4-173.60111.8D189 Y190 L191 L195 T196 E197D189-K193 PolarHBondContact O-N 3.08Å; D189-K193 VanDerWaalsContact O-N 3.17Å; Y190-K193 HydrophobicContact CD2-CD 4.38Å; Y190-K193 WeakPolarHBondContact O-CB 3.15Å; Y190-K193 PolarHBondContact O-N 3.02Å; Y190-K193 VanDerWaalsContact O-N 3.13Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 2.85Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3.18Å; K193-T196 WeakPolarHBondContact O-CA 3.43Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.28Å; K193-T196 PolarHBondContact O-N 3.44Å; K193-T196 VanDerWaalsContact O-N 3.09Å; K193-E197 PolarHBondContact O-N 3.16Å
194I97.8Very high96.7Very high0 Ų046.3 Ų46.30%025%0.251CS..Hα-helixtrans-73.7-24.1-176.565.2-177.2000113Y190 L191 T196 E197 R198 E255 R258 C259Y190-I194 HydrophobicContact CD1-CD1 4.37Å; Y190-I194 HydrophobicContact CD2-CG2 4.12Å; Y190-I194 HydrophobicContact CE1-CD1 4.06Å; Y190-I194 HydrophobicContact CE1-CG2 4.19Å; Y190-I194 HydrophobicContact CE2-CG2 3.51Å; Y190-I194 PolarHBondContact O-N 2.98Å; L191-I194 HydrophobicContact CD1-CD1 3.98Å; L191-I194 HydrophobicContact CD1-CG1 3.99Å; L191-I194 WeakPolarHBondContact O-CG1 3.44Å; L191-I194 PolarHBondContact O-N 2.94Å; I194-T196 VanDerWaalsContact C-N 3.34Å; I194-E197 WeakPolarHBondContact O-CB 3.34Å; I194-E197 PolarHBondContact O-N 3.4Å; I194-R198 PolarHBondContact O-N 3.08Å; I194-E255 HydrophobicContact CB-CG 4.17Å; I194-E255 HydrophobicContact CD1-CB 3.66Å; I194-E255 HydrophobicContact CD1-CG 3.99Å; I194-E255 HydrophobicContact CG1-CB 3.88Å; I194-E255 HydrophobicContact CG1-CG 3.78Å; I194-R258 HydrophobicContact CD1-CB 4.21Å; I194-C259 HydrophobicContact CD1-CB 4.12Å
195L98.3Very high96.3Very high0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-68-36.6167.3-71.4175.5000111.6L191 K193 E197 R198 G199 Y200 F202 V211 I214 I252 E255L191-L195 HydrophobicContact CD1-CD1 4.18Å; L191-L195 HydrophobicContact CD1-CD2 4.42Å; L191-L195 HydrophobicContact CD1-CG 3.98Å; L191-L195 HydrophobicContact CD2-CD1 4.43Å; L191-L195 HydrophobicContact CG-CD1 3.82Å; L191-L195 HydrophobicContact CG-CG 4.11Å; L191-L195 VanDerWaalsContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 WeakPolarHBondContact O-CG 3.38Å; L191-L195 PolarHBondContact O-N 3.35Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3.18Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-R198 WeakPolarHBondContact O-CB 3.46Å; L195-R198 PolarHBondContact O-N 3.13Å; L195-R198 VanDerWaalsContact O-N 3.16Å; L195-G199 PolarHBondContact O-N 2.93Å; L195-Y200 CarbonylContact C-O 3.15Å; L195-Y200 PolarHBondContact O-N 3.25Å; L195-F202 HydrophobicContact CB-CD2 4.37Å; L195-F202 HydrophobicContact CB-CE2 4.27Å; L195-F202 HydrophobicContact CD1-CD2 4.2Å; L195-F202 HydrophobicContact CD1-CE2 3.85Å; L195-V211 HydrophobicContact CD1-CG1 4Å; L195-V211 HydrophobicContact CD1-CG2 4.08Å; L195-I214 HydrophobicContact CD1-CD1 4.35Å; L195-I252 HydrophobicContact CD2-CD1 3.74Å; L195-I252 HydrophobicContact CD2-CG2 4.15Å; L195-E255 HydrophobicContact CD2-CB 4.41Å; L195-E255 HydrophobicContact CD2-CG 4.33Å
196T97.5Very high96.1Very high63 Ų6350.2 Ų50.239%0.38729%0.286SS..Hα-helixtrans-65.3-38.9174.1-57.50000111.1M192 K193 I194 R198 G199 Y200M192-T196 PolarHBondContact O-N 3Å; M192-T196 PolarHBondContact O-OG1 3.25Å; K193-T196 WeakPolarHBondContact O-CA 3.43Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.28Å; K193-T196 PolarHBondContact O-N 3.44Å; K193-T196 VanDerWaalsContact O-N 3.09Å; I194-T196 VanDerWaalsContact C-N 3.34Å; T196-R198 PolarHBondContact O-N 3.03Å; T196-G199 WeakPolarHBondContact O-CA 3.29Å; T196-G199 PolarHBondContact O-N 3.23Å; T196-Y200 VanDerWaalsContact CA-O 3.31Å; T196-Y200 WeakPolarHBondContact CA-O 3.46Å; T196-Y200 PolarHBondContact N-O 3.07Å
197E95.3Very high95.9Very high111 Ų11151 Ų5152%0.51929%0.288SS..Hα-helixtrans-57.9-34.3172.6-66.8168.6-17000112.2K193 I194 L195 G199 R258K193-E197 PolarHBondContact O-N 3.16Å; I194-E197 WeakPolarHBondContact O-CB 3.34Å; I194-E197 PolarHBondContact O-N 3.4Å; L195-E197 VanDerWaalsContact C-N 3.34Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-R258 IonicContact OE2-NH1 2.85Å; E197-R258 IonicContact OE2-NH2 3.48Å; E197-R258 PolarHBondContact OE2-NH2 2.8Å
198R93.6Very high95.7Very high82 Ų8252.7 Ų52.731%0.30929%0.294SS..THydrogen-bonded Turntrans-76.9-13.2174.7-163-179.7-175.795.33.9113.6I194 L195 T196 Y200 E239 T251 E255I194-R198 PolarHBondContact O-N 3.08Å; L195-R198 WeakPolarHBondContact O-CB 3.46Å; L195-R198 PolarHBondContact O-N 3.13Å; L195-R198 VanDerWaalsContact O-N 3.16Å; T196-R198 PolarHBondContact O-N 3.03Å; R198-Y200 HydrophobicContact CG-CD2 4.46Å; R198-Y200 HydrophobicContact CG-CE2 4.32Å; R198-E239 IonicContact CZ-OE1 3.56Å; R198-E239 IonicContact NH2-OE1 3.4Å; R198-E239 PolarHBondContact NH2-OE1 3.45Å; R198-T251 WeakPolarHBondContact CD-O 3.46Å; R198-T251 PolarHBondContact NE-O 2.95Å; R198-E255 WeakPolarHBondContact CD-OE1 3.44Å; R198-E255 IonicContact CZ-OE1 2.78Å; R198-E255 IonicContact CZ-OE2 3.94Å; R198-E255 IonicContact NH1-OE1 2.8Å; R198-E255 PolarHBondContact NH1-OE1 3.15Å; R198-E255 VanDerWaalsContact NH1-OE1 3.07Å; R198-E255 IonicContact NH1-OE2 3.67Å; R198-E255 PolarHBondContact NH1-OE2 3Å; R198-E255 VanDerWaalsContact NH1-OE2 3.15Å
199G96.2Very high95.6Very high61 Ų6154.1 Ų54.163%0.62930%0.301SS*.THydrogen-bonded Turntrans104.44.9-179.200000115.2L195 T196 E197L195-G199 PolarHBondContact O-N 2.93Å; T196-G199 WeakPolarHBondContact O-CA 3.29Å; T196-G199 PolarHBondContact O-N 3.23Å; E197-G199 VanDerWaalsContact C-N 3.29Å
200Y96Very high95.6Very high61 Ų6152.4 Ų52.424%0.23929%0.291CS..  trans-101.2102.5173.7-56-55.4000110.3L195 T196 R198 I250 T251L195-Y200 CarbonylContact C-O 3.15Å; L195-Y200 PolarHBondContact O-N 3.25Å; T196-Y200 VanDerWaalsContact CA-O 3.31Å; T196-Y200 WeakPolarHBondContact CA-O 3.46Å; T196-Y200 PolarHBondContact N-O 3.07Å; R198-Y200 HydrophobicContact CG-CD2 4.46Å; R198-Y200 HydrophobicContact CG-CE2 4.32Å; Y200-I250 HydrophobicContact CD1-CB 4.27Å; Y200-I250 HydrophobicContact CD1-CG2 3.79Å; Y200-I250 HydrophobicContact CD2-CB 4.35Å; Y200-I250 HydrophobicContact CD2-CD1 4.48Å; Y200-I250 HydrophobicContact CE1-CB 3.85Å; Y200-I250 HydrophobicContact CE1-CG2 3.52Å; Y200-I250 HydrophobicContact CE2-CB 3.93Å; Y200-I250 HydrophobicContact CE2-CG2 4.48Å; Y200-I250 HydrophobicContact CG-CG2 4.38Å; Y200-T251 WeakPolarHBondContact CE2-O 3.35Å; Y200-T251 PolarHBondContact OH-N 3.28Å
201S95.3Very high95.6Very high74 Ų7451.4 Ų51.452%0.51729%0.288SS..  trans-92125.6-179-165.50000111.4
202F95.4Very high95.5Very high15 Ų1554.8 Ų54.87%0.06630%0.3CS..  trans-121.5116.8173.5-63.1-81.1000106.9M192 L195 E207 I210 V211 I214 L244 I250M192-F202 HydrophobicContact CE-CB 4.15Å; M192-F202 WeakPolarHBondContact CE-O 3.44Å; L195-F202 HydrophobicContact CB-CD2 4.37Å; L195-F202 HydrophobicContact CB-CE2 4.27Å; L195-F202 HydrophobicContact CD1-CD2 4.2Å; L195-F202 HydrophobicContact CD1-CE2 3.85Å; F202-E207 HydrophobicContact CB-CB 3.92Å; F202-E207 HydrophobicContact CD1-CB 3.85Å; F202-E207 HydrophobicContact CD1-CG 4.12Å; F202-E207 HydrophobicContact CG-CB 4.38Å; F202-I210 HydrophobicContact CE1-CG2 4.33Å; F202-V211 HydrophobicContact CB-CG2 3.81Å; F202-V211 HydrophobicContact CD1-CG2 3.96Å; F202-V211 HydrophobicContact CD2-CG2 3.47Å; F202-V211 VanDerWaalsContact CD2-CG2 3.47Å; F202-V211 HydrophobicContact CE1-CG2 4.39Å; F202-V211 HydrophobicContact CE2-CG2 3.96Å; F202-V211 HydrophobicContact CG-CG2 3.46Å; F202-V211 VanDerWaalsContact CG-CG2 3.46Å; F202-V211 HydrophobicContact CZ-CG2 4.39Å; F202-I214 HydrophobicContact CZ-CD1 4.4Å; F202-L244 HydrophobicContact CE1-CD2 4.01Å; F202-L244 HydrophobicContact CZ-CD2 4.1Å; F202-I250 HydrophobicContact CZ-CD1 3.96Å
203V93.2Very high95.6Very high114 Ų11455.3 Ų55.369%0.69130%0.304SS*.  trans-122.3-26.1-170.2-64.60000113E207V203-E207 PolarHBondContact N-OE2 2.87Å
204T92.4Very high95.6Very high65 Ų6549.6 Ų49.640%0.39928%0.279SS..SBendtrans-87.5159.8-177.970.90000112A206 E207 R208T204-A206 PolarHBondContact O-N 2.9Å; T204-E207 PolarHBondContact N-OE2 2.83Å; T204-E207 PolarHBondContact O-N 2.85Å; T204-E207 WeakPolarHBondContact OG1-CB 3.43Å; T204-E207 VanDerWaalsContact OG1-CD 3.27Å; T204-E207 VanDerWaalsContact OG1-CG 3.22Å; T204-E207 WeakPolarHBondContact OG1-CG 3.43Å; T204-E207 PolarHBondContact OG1-N 3.21Å; T204-E207 VanDerWaalsContact OG1-N 3.13Å; T204-E207 PolarHBondContact OG1-OE2 3.02Å; T204-E207 VanDerWaalsContact OG1-OE2 3.07Å; T204-R208 PolarHBondContact O-N 3.29Å
205T89.7Confident95.6Very high73 Ų7350 Ų5045%0.44828%0.28SS..THydrogen-bonded Turntrans-68.7-17.1176.259.40000113.7R64R64-T205 WeakPolarHBondContact CD-O 3.44Å; R64-T205 PolarHBondContact NH1-O 3.32Å; R64-T205 VanDerWaalsContact NH1-O 3.08Å
206A91.3Very high95.6Very high56 Ų5655.3 Ų55.346%0.46331%0.305SS..THydrogen-bonded Turntrans-81.8-44.117300000110.6T204 R208 E209 I210T204-A206 PolarHBondContact O-N 2.9Å; A206-R208 PolarHBondContact O-N 2.99Å; A206-E209 WeakPolarHBondContact O-CB 3.46Å; A206-E209 PolarHBondContact O-N 2.7Å; A206-I210 PolarHBondContact O-N 3.12Å
207E94.9Very high95.7Very high58 Ų5858.8 Ų58.827%0.27132%0.315SS..Hα-helixtrans-60.3-34.4172.9-77.9165.8170.800112.4F202 V203 T204 E209 I210 V211F202-E207 HydrophobicContact CB-CB 3.92Å; F202-E207 HydrophobicContact CD1-CB 3.85Å; F202-E207 HydrophobicContact CD1-CG 4.12Å; F202-E207 HydrophobicContact CG-CB 4.38Å; V203-E207 PolarHBondContact N-OE2 2.87Å; T204-E207 PolarHBondContact N-OE2 2.83Å; T204-E207 PolarHBondContact O-N 2.85Å; T204-E207 WeakPolarHBondContact OG1-CB 3.43Å; T204-E207 VanDerWaalsContact OG1-CD 3.27Å; T204-E207 VanDerWaalsContact OG1-CG 3.22Å; T204-E207 WeakPolarHBondContact OG1-CG 3.43Å; T204-E207 PolarHBondContact OG1-N 3.21Å; T204-E207 VanDerWaalsContact OG1-N 3.13Å; T204-E207 PolarHBondContact OG1-OE2 3.02Å; T204-E207 VanDerWaalsContact OG1-OE2 3.07Å; E207-E209 PolarHBondContact O-N 2.87Å; E207-I210 HydrophobicContact CG-CD1 4.5Å; E207-I210 WeakPolarHBondContact O-CA 3.31Å; E207-I210 VanDerWaalsContact O-CB 3.29Å; E207-I210 WeakPolarHBondContact O-CB 3.34Å; E207-I210 PolarHBondContact O-N 3.06Å; E207-V211 PolarHBondContact O-N 2.98Å
208R95.3Very high95.8Very high36 Ų3654.8 Ų54.814%0.13630%0.297CS..Hα-helixtrans-55.3-33.8171.2-177.1175-169.9-70.3-6.7113.2R185 T188 D189 M192 T204 A206 V211 R212R185-R208 PolarHBondContact O-NH2 3.12Å; T188-R208 HydrophobicContact CG2-CG 3.98Å; D189-R208 VanDerWaalsContact CG-NH2 3.3Å; D189-R208 IonicContact OD1-CZ 3.31Å; D189-R208 IonicContact OD1-NE 3.87Å; D189-R208 PolarHBondContact OD1-NE 3.27Å; D189-R208 IonicContact OD1-NH2 3.86Å; D189-R208 PolarHBondContact OD1-NH2 2.89Å; D189-R208 IonicContact OD2-NH2 3.98Å; D189-R208 PolarHBondContact OD2-NH2 3.33Å; M192-R208 HydrophobicContact CE-CB 4.26Å; M192-R208 HydrophobicContact SD-CB 3.88Å; M192-R208 HydrophobicContact SD-CG 3.64Å; T204-R208 PolarHBondContact O-N 3.29Å; A206-R208 PolarHBondContact O-N 2.99Å; R208-V211 PolarHBondContact O-N 3.07Å; R208-R212 PolarHBondContact O-N 3.49Å
209E95.2Very high96.1Very high31 Ų3151 Ų5115%0.14528%0.283CS..Hα-helixtrans-73.7-32.2177-63.3-63.714900112.3Q61 R64 A206 E207 V211 R212 D213Q61-E209 VanDerWaalsContact NE2-CG 3.28Å; Q61-E209 PolarHBondContact NE2-OE1 3.27Å; R64-E209 IonicContact CZ-OE1 3.03Å; R64-E209 IonicContact NH1-OE1 3.65Å; R64-E209 IonicContact NH2-OE1 2.75Å; R64-E209 PolarHBondContact NH2-OE1 2.93Å; A206-E209 WeakPolarHBondContact O-CB 3.46Å; A206-E209 PolarHBondContact O-N 2.7Å; E207-E209 PolarHBondContact O-N 2.87Å; E209-V211 VanDerWaalsContact C-N 3.3Å; E209-R212 WeakPolarHBondContact O-CB 3.06Å; E209-R212 PolarHBondContact O-N 2.87Å; E209-R212 IonicContact OE2-CZ 2.9Å; E209-R212 IonicContact OE2-NE 2.72Å; E209-R212 PolarHBondContact OE2-NE 2.9Å; E209-R212 IonicContact OE2-NH2 3.15Å; E209-D213 PolarHBondContact O-N 3.09Å
210I97.2Very high96.2Very high33 Ų3349.5 Ų49.517%0.16926%0.259CS..Hα-helixtrans-61.5-45.3170.1-55.5173.6000108.9F202 A206 E207 R212 D213 I214 Y242 L244 P245F202-I210 HydrophobicContact CE1-CG2 4.33Å; A206-I210 PolarHBondContact O-N 3.12Å; E207-I210 HydrophobicContact CG-CD1 4.5Å; E207-I210 WeakPolarHBondContact O-CA 3.31Å; E207-I210 VanDerWaalsContact O-CB 3.29Å; E207-I210 WeakPolarHBondContact O-CB 3.34Å; E207-I210 PolarHBondContact O-N 3.06Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 2.89Å; I210-D213 PolarHBondContact O-N 2.84Å; I210-D213 VanDerWaalsContact O-N 3.13Å; I210-I214 HydrophobicContact CG2-CD1 4.14Å; I210-I214 WeakPolarHBondContact O-CG1 3.34Å; I210-I214 PolarHBondContact O-N 2.8Å; I210-Y242 HydrophobicContact CG2-CE1 3.84Å; I210-L244 HydrophobicContact CG2-CD2 3.67Å; I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.17Å
211V98.4Very high96.3Very high0 Ų046.8 Ų46.80%025%0.249CC..Hα-helixtrans-65.7-36.5178.21800000112.1T188 L191 M192 L195 F202 E207 R208 E209 D213 I214 K215T188-V211 HydrophobicContact CG2-CB 4.41Å; T188-V211 HydrophobicContact CG2-CG1 4.25Å; L191-V211 HydrophobicContact CB-CG1 3.81Å; L191-V211 HydrophobicContact CD2-CG1 3.77Å; L191-V211 HydrophobicContact CG-CG1 3.7Å; M192-V211 HydrophobicContact CB-CG1 4.45Å; M192-V211 HydrophobicContact CG-CB 3.81Å; M192-V211 HydrophobicContact CG-CG1 3.6Å; M192-V211 HydrophobicContact CG-CG2 3.85Å; L195-V211 HydrophobicContact CD1-CG1 4Å; L195-V211 HydrophobicContact CD1-CG2 4.08Å; F202-V211 HydrophobicContact CB-CG2 3.81Å; F202-V211 HydrophobicContact CD1-CG2 3.96Å; F202-V211 HydrophobicContact CD2-CG2 3.47Å; F202-V211 VanDerWaalsContact CD2-CG2 3.47Å; F202-V211 HydrophobicContact CE1-CG2 4.39Å; F202-V211 HydrophobicContact CE2-CG2 3.96Å; F202-V211 HydrophobicContact CG-CG2 3.46Å; F202-V211 VanDerWaalsContact CG-CG2 3.46Å; F202-V211 HydrophobicContact CZ-CG2 4.39Å; E207-V211 PolarHBondContact O-N 2.98Å; R208-V211 PolarHBondContact O-N 3.07Å; E209-V211 VanDerWaalsContact C-N 3.3Å; V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 PolarHBondContact O-N 2.77Å; V211-I214 PolarHBondContact O-N 2.86Å; V211-K215 WeakPolarHBondContact O-CB 3.38Å; V211-K215 PolarHBondContact O-N 2.74Å
212R97.9Very high96.5Very high72 Ų7243.4 Ų43.427%0.27223%0.225SC..Hα-helixtrans-60.3-43.3170.8-173-170.862.971.85.8111.6T188 R208 E209 I210 K215 E216T188-R212 HydrophobicContact CG2-CB 4.02Å; R208-R212 PolarHBondContact O-N 3.49Å; E209-R212 WeakPolarHBondContact O-CB 3.06Å; E209-R212 PolarHBondContact O-N 2.87Å; E209-R212 IonicContact OE2-CZ 2.9Å; E209-R212 IonicContact OE2-NE 2.72Å; E209-R212 PolarHBondContact OE2-NE 2.9Å; E209-R212 IonicContact OE2-NH2 3.15Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 2.89Å; R212-K215 WeakPolarHBondContact O-CB 3.21Å; R212-K215 PolarHBondContact O-N 3.04Å; R212-E216 WeakPolarHBondContact CG-OE1 3.32Å; R212-E216 IonicContact CZ-OE1 3.07Å; R212-E216 IonicContact NH1-OE1 3.19Å; R212-E216 PolarHBondContact NH1-OE1 2.87Å; R212-E216 IonicContact NH1-OE2 3.29Å; R212-E216 PolarHBondContact NH1-OE2 2.83Å; R212-E216 WeakPolarHBondContact O-CG 3.31Å; R212-E216 PolarHBondContact O-N 2.91Å
213D98.2Very high96.7Very high37 Ų3747.1 Ų47.120%0.19825%0.245CC..Hα-helixtrans-67.4-40.9178.2-174.974.9000112.2E209 I210 V211 K215 E216 K217 Y242E209-D213 PolarHBondContact O-N 3.09Å; I210-D213 PolarHBondContact O-N 2.84Å; I210-D213 VanDerWaalsContact O-N 3.13Å; V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 PolarHBondContact O-N 2.77Å; D213-K215 VanDerWaalsContact C-N 3.31Å; D213-K215 PolarHBondContact O-N 3.19Å; D213-E216 PolarHBondContact O-N 2.99Å; D213-K217 VanDerWaalsContact CG-NZ 3.28Å; D213-K217 WeakPolarHBondContact O-CB 3.25Å; D213-K217 WeakPolarHBondContact O-CG 3.5Å; D213-K217 PolarHBondContact O-N 2.59Å; D213-K217 WeakPolarHBondContact OD1-CE 3.47Å; D213-K217 IonicContact OD1-NZ 3.99Å; D213-K217 PolarHBondContact OD1-NZ 3.41Å; D213-K217 WeakPolarHBondContact OD2-CD 3.19Å; D213-K217 VanDerWaalsContact OD2-CE 3.32Å; D213-K217 WeakPolarHBondContact OD2-CE 3.35Å; D213-K217 IonicContact OD2-NZ 3.21Å; D213-K217 PolarHBondContact OD2-NZ 2.88Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.28Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.29Å; D213-Y242 PolarHBondContact OD2-OH 2.91Å
214I98.6Very high96.9Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-55.8-48.9171-68.7167.5000110L191 L195 F202 I210 V211 K217 L218 Y242 I250 I252L191-I214 HydrophobicContact CD2-CB 4.48Å; L191-I214 HydrophobicContact CD2-CG2 4.1Å; L195-I214 HydrophobicContact CD1-CD1 4.35Å; F202-I214 HydrophobicContact CZ-CD1 4.4Å; I210-I214 HydrophobicContact CG2-CD1 4.14Å; I210-I214 WeakPolarHBondContact O-CG1 3.34Å; I210-I214 PolarHBondContact O-N 2.8Å; V211-I214 PolarHBondContact O-N 2.86Å; I214-K217 PolarHBondContact O-N 3.45Å; I214-L218 HydrophobicContact CG2-CD1 4.36Å; I214-L218 WeakPolarHBondContact O-CB 3.3Å; I214-L218 PolarHBondContact O-N 2.96Å; I214-Y242 HydrophobicContact CD1-CD1 4.02Å; I214-Y242 HydrophobicContact CD1-CE1 4.17Å; I214-Y242 HydrophobicContact CD1-CG 4.33Å; I214-Y242 HydrophobicContact CG1-CD1 3.75Å; I214-Y242 HydrophobicContact CG1-CD2 3.69Å; I214-Y242 HydrophobicContact CG1-CE1 3.76Å; I214-Y242 HydrophobicContact CG1-CE2 3.68Å; I214-Y242 HydrophobicContact CG1-CG 3.72Å; I214-I250 HydrophobicContact CD1-CD1 4Å; I214-I252 HydrophobicContact CD1-CD1 4.46Å; I214-I252 HydrophobicContact CG2-CD1 4.19Å; I214-I252 HydrophobicContact CG2-CG1 4.01Å; I214-I252 HydrophobicContact CG2-CG2 4.47Å
215K98.6Very high97.2Very high7 Ų742.6 Ų42.63%0.0321%0.214CC..Hα-helixtrans-56.5-52.9179.1-175.2-169.470.4177.10111.3G184 L187 T188 L191 V211 R212 D213 K217 C219 Y308G184-K215 PolarHBondContact O-NZ 3.43Å; L187-K215 HydrophobicContact CB-CD 3.86Å; T188-K215 WeakPolarHBondContact OG1-CE 2.95Å; T188-K215 PolarHBondContact OG1-NZ 3.12Å; L191-K215 HydrophobicContact CD2-CB 3.59Å; L191-K215 HydrophobicContact CD2-CG 4.26Å; V211-K215 WeakPolarHBondContact O-CB 3.38Å; V211-K215 PolarHBondContact O-N 2.74Å; R212-K215 WeakPolarHBondContact O-CB 3.21Å; R212-K215 PolarHBondContact O-N 3.04Å; D213-K215 VanDerWaalsContact C-N 3.31Å; D213-K215 PolarHBondContact O-N 3.19Å; K215-K217 VanDerWaalsContact C-N 3.34Å; K215-K217 PolarHBondContact O-N 3.15Å; K215-C219 WeakPolarHBondContact O-CB 3.32Å; K215-C219 PolarHBondContact O-N 3.49Å; K215-C219 VanDerWaalsContact O-N 3.15Å; K215-Y308 VanDerWaalsContact CD-OH 3.26Å; K215-Y308 WeakPolarHBondContact CD-OH 3.25Å; K215-Y308 HydrophobicContact CG-CE1 4.3Å; K215-Y308 WeakPolarHBondContact CG-OH 3.18Å
216E98.3Very high97.6Very high113 Ų11345.1 Ų45.153%0.52822%0.22SC..Hα-helixtrans-67.7-32.2-176.2-72.8173.5-158.600113.1R212 D213R212-E216 WeakPolarHBondContact CG-OE1 3.32Å; R212-E216 IonicContact CZ-OE1 3.07Å; R212-E216 IonicContact NH1-OE1 3.19Å; R212-E216 PolarHBondContact NH1-OE1 2.87Å; R212-E216 IonicContact NH1-OE2 3.29Å; R212-E216 PolarHBondContact NH1-OE2 2.83Å; R212-E216 WeakPolarHBondContact O-CG 3.31Å; R212-E216 PolarHBondContact O-N 2.91Å; D213-E216 PolarHBondContact O-N 2.99Å
217K98.4Very high97.9Very high136 Ų13647.1 Ų47.159%0.59122%0.224SC*.Hα-helixtrans-85.8-37.5-179-73.6177.6179.1160.10114.2D213 I214 K215 Y242D213-K217 VanDerWaalsContact CG-NZ 3.28Å; D213-K217 WeakPolarHBondContact O-CB 3.25Å; D213-K217 WeakPolarHBondContact O-CG 3.5Å; D213-K217 PolarHBondContact O-N 2.59Å; D213-K217 WeakPolarHBondContact OD1-CE 3.47Å; D213-K217 IonicContact OD1-NZ 3.99Å; D213-K217 PolarHBondContact OD1-NZ 3.41Å; D213-K217 WeakPolarHBondContact OD2-CD 3.19Å; D213-K217 VanDerWaalsContact OD2-CE 3.32Å; D213-K217 WeakPolarHBondContact OD2-CE 3.35Å; D213-K217 IonicContact OD2-NZ 3.21Å; D213-K217 PolarHBondContact OD2-NZ 2.88Å; I214-K217 PolarHBondContact O-N 3.45Å; K215-K217 VanDerWaalsContact C-N 3.34Å; K215-K217 PolarHBondContact O-N 3.15Å; K217-Y242 HydrophobicContact CD-CE2 4.31Å
218L98.6Very high98.1Very high26 Ų2646.1 Ų46.114%0.13622%0.219CC..Hα-helixtrans-115-24-164.3-57.8-172.8000114.1I214 K240 Y242 I252 R256I214-L218 HydrophobicContact CG2-CD1 4.36Å; I214-L218 WeakPolarHBondContact O-CB 3.3Å; I214-L218 PolarHBondContact O-N 2.96Å; L218-K240 HydrophobicContact CD1-CB 4.21Å; L218-K240 HydrophobicContact CD2-CB 4.23Å; L218-Y242 HydrophobicContact CD1-CD2 4.01Å; L218-Y242 HydrophobicContact CD1-CG 4.41Å; L218-I252 HydrophobicContact CD1-CB 4.44Å; L218-I252 HydrophobicContact CD1-CG1 3.89Å; L218-R256 HydrophobicContact CB-CG 4.44Å; L218-R256 VanDerWaalsContact O-CZ 3.29Å; L218-R256 PolarHBondContact O-NE 3.36Å; L218-R256 PolarHBondContact O-NH2 3.19Å
219C98.8Very high98.2Very high3 Ų347 Ų472%0.0223%0.225CC..  trans-77.7152.7-178.8-68.30000112.6K215 R256 P260 Y308K215-C219 WeakPolarHBondContact O-CB 3.32Å; K215-C219 PolarHBondContact O-N 3.49Å; K215-C219 VanDerWaalsContact O-N 3.15Å; C219-R256 CarbonylContact C-O 3.51Å; C219-R256 WeakPolarHBondContact CA-O 3.33Å; C219-R256 WeakPolarHBondContact CB-O 3.16Å; C219-R256 PolarHBondContact SG-O 2.99Å; C219-R256 VanDerWaalsContact SG-O 3.35Å; C219-P260 HydrophobicContact CB-CG 4.41Å; C219-Y308 HydrophobicContact CB-CD1 4.11Å; C219-Y308 HydrophobicContact CB-CE1 3.57Å
220Y98.8Very high98.3Very high30 Ų3048.2 Ų48.212%0.11824%0.24CC..  trans-155.9157.6-179.165.7-81.4000110.3E228 R256 F257 P260Y220-E228 WeakPolarHBondContact CE2-OE1 3.44Å; Y220-E228 PolarHBondContact OH-OE1 3.29Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.78Å; Y220-R256 PolarHBondContact N-O 3.38Å; Y220-F257 HydrophobicContact CD2-CB 4.39Å; Y220-F257 HydrophobicContact CE1-CB 4.24Å; Y220-F257 HydrophobicContact CE1-CD1 4.33Å; Y220-F257 HydrophobicContact CE2-CB 4.02Å; Y220-F257 AromaticContact CZ-CD1 3.87Å; Y220-F257 VanDerWaalsContact O-CA 3.28Å; Y220-F257 WeakPolarHBondContact O-CA 3.26Å; Y220-F257 WeakPolarHBondContact O-CB 3.47Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.41Å; Y220-P260 WeakPolarHBondContact O-CG 3.36Å
221V98.9Very high98.4Very high4 Ų448.7 Ų48.72%0.02425%0.245CC..  trans-89.4124.2175.8173.70000109.3P260 F264 Y308 P309 I311 R314V221-P260 HydrophobicContact CG2-CB 3.91Å; V221-P260 HydrophobicContact CG2-CG 4.33Å; V221-F264 HydrophobicContact CG1-CD2 4.39Å; V221-F264 HydrophobicContact CG1-CE2 3.62Å; V221-F264 HydrophobicContact CG1-CZ 4.05Å; V221-F264 HydrophobicContact CG2-CE2 4.06Å; V221-Y308 HydrophobicContact CG2-CD2 4.43Å; V221-Y308 HydrophobicContact CG2-CG 4.37Å; V221-P309 PolarHBondContact N-O 2.92Å; V221-I311 HydrophobicContact CB-CB 4.28Å; V221-I311 HydrophobicContact CG2-CB 3.91Å; V221-I311 HydrophobicContact CG2-CD1 4.38Å; V221-I311 HydrophobicContact CG2-CG1 4.14Å; V221-R314 HydrophobicContact CG1-CB 3.48Å; V221-R314 VanDerWaalsContact CG1-CB 3.48Å; V221-R314 HydrophobicContact CG1-CG 3.68Å
222A98.6Very high98.3Very high2 Ų250 Ų502%0.01726%0.255CS..  trans-73.6140.9172.100000110.8D224 E228 F257 R314A222-D224 VanDerWaalsContact C-N 3.32Å; A222-E228 HydrophobicContact CB-CB 3.72Å; A222-E228 HydrophobicContact CB-CG 3.79Å; A222-F257 HydrophobicContact CB-CB 4.24Å; A222-F257 HydrophobicContact CB-CD2 4.34Å; A222-F257 HydrophobicContact CB-CG 4.47Å; A222-R314 WeakPolarHBondContact O-CD 3.25Å; A222-R314 PolarHBondContact O-NH1 3.24Å
223L98.5Very high98.2Very high93 Ų9351 Ų5149%0.48728%0.279SS..SBendtrans-69.4-34.2174.4-175.965.3000111.7D313 R314 K317L223-D313 HydrophobicContact CD1-CB 4.15Å; L223-R314 WeakPolarHBondContact O-CD 3.34Å; L223-K317 HydrophobicContact CD1-CB 4.06Å; L223-K317 HydrophobicContact CD1-CD 3.88Å; L223-K317 HydrophobicContact CG-CD 4.14Å; L223-K317 WeakPolarHBondContact O-CD 3.49Å; L223-K317 PolarHBondContact O-NZ 2.81Å
224D98.5Very high98.1Very high68 Ų6854 Ų5436%0.36430%0.304SS..SBendtrans-137.2104.5175.6-167.1-61.3000108.7A222 E226 N227 E228 K317A222-D224 VanDerWaalsContact C-N 3.32Å; D224-E226 PolarHBondContact O-N 2.84Å; D224-E226 PolarHBondContact OD1-N 3.33Å; D224-N227 HydrophobicContact CB-CB 4.01Å; D224-N227 PolarHBondContact O-N 3.4Å; D224-N227 PolarHBondContact OD1-N 2.95Å; D224-E228 WeakPolarHBondContact O-CB 3.42Å; D224-E228 PolarHBondContact O-N 3.48Å; D224-K317 IonicContact OD2-NZ 3.88Å; D224-K317 PolarHBondContact OD2-NZ 2.87Å
225F98.2Very high97.9Very high17 Ų1756.4 Ų56.48%0.07532%0.32CS..Hα-helixtrans-61.4-43.3-172.6177.7-102000112.5E228 M229 F257 R258 E261 F268F225-E228 PolarHBondContact O-N 3.05Å; F225-M229 HydrophobicContact CD1-CG 4.28Å; F225-M229 HydrophobicContact CE1-CG 3.79Å; F225-M229 HydrophobicContact CE2-CG 4.12Å; F225-M229 HydrophobicContact CE2-SD 4.39Å; F225-M229 HydrophobicContact CZ-CG 3.7Å; F225-M229 HydrophobicContact CZ-SD 4.04Å; F225-M229 WeakPolarHBondContact O-CB 3.27Å; F225-M229 WeakPolarHBondContact O-CG 3.49Å; F225-M229 PolarHBondContact O-N 2.97Å; F225-F257 AromaticContact CD2-CD2 3.94Å; F225-F257 HydrophobicContact CD2-CD2 3.94Å; F225-F257 HydrophobicContact CD2-CE2 4.19Å; F225-F257 AromaticContact CE2-CD2 3.87Å; F225-F257 HydrophobicContact CE2-CD2 3.87Å; F225-F257 AromaticContact CE2-CE2 3.96Å; F225-F257 HydrophobicContact CE2-CE2 3.96Å; F225-R258 HydrophobicContact CE2-CG 3.94Å; F225-R258 HydrophobicContact CZ-CG 4.06Å; F225-E261 HydrophobicContact CB-CG 4.42Å; F225-E261 HydrophobicContact CD1-CG 4.38Å; F225-E261 HydrophobicContact CD2-CB 3.81Å; F225-E261 HydrophobicContact CD2-CG 3.42Å; F225-E261 VanDerWaalsContact CD2-CG 3.42Å; F225-E261 HydrophobicContact CE2-CB 3.81Å; F225-E261 HydrophobicContact CE2-CG 3.68Å; F225-E261 HydrophobicContact CG-CG 3.81Å; F225-E261 HydrophobicContact CZ-CG 4.27Å; F225-F268 AromaticContact CE1-CE2 3.86Å; F225-F268 HydrophobicContact CE1-CE2 3.86Å; F225-F268 AromaticContact CE1-CZ 3.86Å; F225-F268 HydrophobicContact CE1-CZ 3.86Å; F225-F268 HydrophobicContact CE2-CE2 4.32Å; F225-F268 AromaticContact CZ-CE2 3.67Å; F225-F268 HydrophobicContact CZ-CE2 3.67Å; F225-F268 HydrophobicContact CZ-CZ 4.13Å
226E98Very high97.7Very high125 Ų12560 Ų6058%0.58435%0.346SS*.Hα-helixtrans-67.7-42.5-177.7-63.1-57149.100111.6D224 M229 A230D224-E226 PolarHBondContact O-N 2.84Å; D224-E226 PolarHBondContact OD1-N 3.33Å; E226-M229 WeakPolarHBondContact O-CB 3.33Å; E226-M229 PolarHBondContact O-N 2.92Å; E226-A230 PolarHBondContact O-N 3.1Å
227N98Very high97.6Very high99 Ų9958.4 Ų58.453%0.52935%0.347SS..Hα-helixtrans-65.5-38.5175.1-177.867.1000112.4D224 A230 T231D224-N227 HydrophobicContact CB-CB 4.01Å; D224-N227 PolarHBondContact O-N 3.4Å; D224-N227 PolarHBondContact OD1-N 2.95Å; N227-A230 PolarHBondContact O-N 3.19Å; N227-T231 PolarHBondContact O-N 3.4Å; N227-T231 PolarHBondContact O-OG1 3.37Å
228E98.3Very high97.6Very high36 Ų3653.2 Ų53.217%0.16833%0.326CS..Hα-helixtrans-65.3-40.1175.8-158.681.4-165.700111.1Y220 A222 D224 F225 T231 A232 L238 F257Y220-E228 WeakPolarHBondContact CE2-OE1 3.44Å; Y220-E228 PolarHBondContact OH-OE1 3.29Å; A222-E228 HydrophobicContact CB-CB 3.72Å; A222-E228 HydrophobicContact CB-CG 3.79Å; D224-E228 WeakPolarHBondContact O-CB 3.42Å; D224-E228 PolarHBondContact O-N 3.48Å; F225-E228 PolarHBondContact O-N 3.05Å; E228-T231 PolarHBondContact O-N 3.4Å; E228-A232 WeakPolarHBondContact O-CB 3.39Å; E228-A232 PolarHBondContact O-N 3.28Å; E228-L238 HydrophobicContact CG-CD1 3.99Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.34Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.44Å; E228-F257 HydrophobicContact CB-CD2 4.1Å; E228-F257 HydrophobicContact CB-CE1 4.43Å; E228-F257 HydrophobicContact CB-CE2 3.83Å; E228-F257 HydrophobicContact CB-CZ 4.01Å; E228-F257 HydrophobicContact CG-CD1 3.65Å; E228-F257 HydrophobicContact CG-CD2 3.84Å; E228-F257 HydrophobicContact CG-CE1 3.59Å; E228-F257 HydrophobicContact CG-CE2 3.79Å; E228-F257 HydrophobicContact CG-CG 3.77Å; E228-F257 HydrophobicContact CG-CZ 3.67Å
229M98.1Very high97.5Very high54 Ų5455.9 Ų55.927%0.26634%0.338SS..Hα-helixtrans-60.3-46.1172.4-79.3-59.8-66.300112.3F225 E226 T231 A232 A233 N254 F257 R258F225-M229 HydrophobicContact CD1-CG 4.28Å; F225-M229 HydrophobicContact CE1-CG 3.79Å; F225-M229 HydrophobicContact CE2-CG 4.12Å; F225-M229 HydrophobicContact CE2-SD 4.39Å; F225-M229 HydrophobicContact CZ-CG 3.7Å; F225-M229 HydrophobicContact CZ-SD 4.04Å; F225-M229 WeakPolarHBondContact O-CB 3.27Å; F225-M229 WeakPolarHBondContact O-CG 3.49Å; F225-M229 PolarHBondContact O-N 2.97Å; E226-M229 WeakPolarHBondContact O-CB 3.33Å; E226-M229 PolarHBondContact O-N 2.92Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 3.14Å; M229-A232 PolarHBondContact O-N 3.39Å; M229-A233 WeakPolarHBondContact O-CB 3.37Å; M229-A233 PolarHBondContact O-N 3.14Å; M229-N254 HydrophobicContact SD-CB 4.23Å; M229-F257 HydrophobicContact CG-CE2 3.82Å; M229-F257 HydrophobicContact CG-CZ 4.3Å; M229-F257 HydrophobicContact SD-CE2 3.55Å; M229-F257 VanDerWaalsContact SD-CE2 3.55Å; M229-F257 HydrophobicContact SD-CZ 3.77Å; M229-R258 HydrophobicContact SD-CG 3.9Å
230A98.1Very high97.5Very high57 Ų5760.8 Ų60.847%0.47136%0.359SS..Hα-helixtrans-62.3-38.417700000112.1E226 N227 A233 S234E226-A230 PolarHBondContact O-N 3.1Å; N227-A230 PolarHBondContact O-N 3.19Å; A230-A233 PolarHBondContact O-N 2.64Å; A230-S234 PolarHBondContact O-N 3.36Å; A230-S234 PolarHBondContact O-OG 3.07Å
231T97.9Very high97.4Very high44 Ų4463.4 Ų63.427%0.2738%0.381SS..Hα-helixtrans-65.4-45.8175-57.30000110.9N227 E228 M229 A233 S234 S235 L238N227-T231 PolarHBondContact O-N 3.4Å; N227-T231 PolarHBondContact O-OG1 3.37Å; E228-T231 PolarHBondContact O-N 3.4Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 3.14Å; T231-A233 VanDerWaalsContact C-N 3.26Å; T231-A233 PolarHBondContact O-N 3.47Å; T231-S234 PolarHBondContact O-N 2.88Å; T231-S234 PolarHBondContact O-OG 3.07Å; T231-S235 WeakPolarHBondContact O-CB 3.43Å; T231-S235 PolarHBondContact O-N 2.92Å; T231-L238 HydrophobicContact CG2-CD1 3.89Å; T231-L238 HydrophobicContact CG2-CG 4.2Å
232A97Very high97.4Very high26 Ų2664.6 Ų64.622%0.21539%0.385CS..Hα-helixtrans-64.3-29.3178.200000113.4E228 M229 L238 N254 F257E228-A232 WeakPolarHBondContact O-CB 3.39Å; E228-A232 PolarHBondContact O-N 3.28Å; M229-A232 PolarHBondContact O-N 3.39Å; A232-L238 HydrophobicContact CB-CD1 4.03Å; A232-N254 HydrophobicContact CB-CB 3.89Å; A232-F257 HydrophobicContact CB-CE1 4.02Å; A232-F257 HydrophobicContact CB-CZ 3.92Å
233A96.7Very high97.4Very high93 Ų9371 Ų7177%0.76942%0.415SS*.Hα-helixtrans-76-24.5176.700000113.2M229 A230 T231M229-A233 WeakPolarHBondContact O-CB 3.37Å; M229-A233 PolarHBondContact O-N 3.14Å; A230-A233 PolarHBondContact O-N 2.64Å; T231-A233 VanDerWaalsContact C-N 3.26Å; T231-A233 PolarHBondContact O-N 3.47Å
234S96.2Very high97.3Very high102 Ų10267.5 Ų67.571%0.71340%0.397SS*.Hα-helixtrans-107.6-13-174.955.90000114.2A230 T231A230-S234 PolarHBondContact O-N 3.36Å; A230-S234 PolarHBondContact O-OG 3.07Å; T231-S234 PolarHBondContact O-N 2.88Å; T231-S234 PolarHBondContact O-OG 3.07Å
235S94.1Very high97Very high50 Ų5069.4 Ų69.435%0.3541%0.413SS..  trans-147.4143.1-174.2178.80000112T231 S237T231-S235 WeakPolarHBondContact O-CB 3.43Å; T231-S235 PolarHBondContact O-N 2.92Å; S235-S237 VanDerWaalsContact C-N 3.26Å; S235-S237 VanDerWaalsContact OG-CB 3.23Å; S235-S237 WeakPolarHBondContact OG-CB 3.37Å; S235-S237 PolarHBondContact OG-N 3.25Å; S235-S237 PolarHBondContact OG-OG 3.48Å
236S94.8Very high96.8Very high81 Ų8174.2 Ų74.257%0.56644%0.44SS*.G310 helixtrans-843.9169.658.10000113.4L238 E239S236-L238 PolarHBondContact O-N 2.9Å; S236-L238 VanDerWaalsContact O-N 3.07Å; S236-E239 WeakPolarHBondContact CB-OE2 3.35Å; S236-E239 WeakPolarHBondContact O-CB 3.43Å; S236-E239 PolarHBondContact O-N 2.86Å
237S96Very high96.7Very high80 Ų8070.1 Ų70.156%0.55943%0.431SS*.G310 helixtrans-60.3-21.8-177.4570000114.4S235S235-S237 VanDerWaalsContact C-N 3.26Å; S235-S237 VanDerWaalsContact OG-CB 3.23Å; S235-S237 WeakPolarHBondContact OG-CB 3.37Å; S235-S237 PolarHBondContact OG-N 3.25Å; S235-S237 PolarHBondContact OG-OG 3.48Å
238L96.6Very high96.6Very high28 Ų2870.3 Ų70.315%0.14743%0.428CS..G310 helixtrans-90.5-7177.7-58.2-178.5000113E228 T231 A232 S236 R256 F257E228-L238 HydrophobicContact CG-CD1 3.99Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.34Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.44Å; T231-L238 HydrophobicContact CG2-CD1 3.89Å; T231-L238 HydrophobicContact CG2-CG 4.2Å; A232-L238 HydrophobicContact CB-CD1 4.03Å; S236-L238 PolarHBondContact O-N 2.9Å; S236-L238 VanDerWaalsContact O-N 3.07Å; L238-R256 PolarHBondContact O-NH1 3.21Å; L238-F257 HydrophobicContact CD1-CE1 4.07Å
239E97.7Very high96.6Very high82 Ų8272.6 Ų72.638%0.38345%0.445SS..  trans-73.5146.2179.4-60.3-168.1140.800111.8R198 S236 T251 I252R198-E239 IonicContact CZ-OE1 3.56Å; R198-E239 IonicContact NH2-OE1 3.4Å; R198-E239 PolarHBondContact NH2-OE1 3.45Å; S236-E239 WeakPolarHBondContact CB-OE2 3.35Å; S236-E239 WeakPolarHBondContact O-CB 3.43Å; S236-E239 PolarHBondContact O-N 2.86Å; E239-T251 HydrophobicContact CB-CG2 3.77Å; E239-T251 HydrophobicContact CG-CG2 4.16Å; E239-I252 WeakPolarHBondContact CA-O 3.38Å
240K98.1Very high96.5Very high106 Ų10670.1 Ų70.146%0.46143%0.433SS..EExtended strand (participates in β ladder)trans-133.8139.7171.9-69.1-66.5-178.4-175.30110.3L218 I252L218-K240 HydrophobicContact CD1-CB 4.21Å; L218-K240 HydrophobicContact CD2-CB 4.23Å; K240-I252 PolarHBondContact N-O 2.82Å; K240-I252 PolarHBondContact O-N 2.81Å
241S97.5Very high96.5Very high84 Ų8469.6 Ų69.659%0.58742%0.424SS*.EExtended strand (participates in β ladder)trans-80.7144.7170.9530000111I250S241-I250 CarbonylContact C-O 3.52Å; S241-I250 VanDerWaalsContact CA-O 3.3Å; S241-I250 WeakPolarHBondContact CA-O 3.35Å
242Y98.2Very high96.5Very high29 Ų2967.5 Ų67.511%0.11441%0.411CS..EExtended strand (participates in β ladder)trans-132133.3171-176.1-86.9000109.1I210 D213 I214 K217 L218 L244 V249 I250I210-Y242 HydrophobicContact CG2-CE1 3.84Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.28Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.29Å; D213-Y242 PolarHBondContact OD2-OH 2.91Å; I214-Y242 HydrophobicContact CD1-CD1 4.02Å; I214-Y242 HydrophobicContact CD1-CE1 4.17Å; I214-Y242 HydrophobicContact CD1-CG 4.33Å; I214-Y242 HydrophobicContact CG1-CD1 3.75Å; I214-Y242 HydrophobicContact CG1-CD2 3.69Å; I214-Y242 HydrophobicContact CG1-CE1 3.76Å; I214-Y242 HydrophobicContact CG1-CE2 3.68Å; I214-Y242 HydrophobicContact CG1-CG 3.72Å; K217-Y242 HydrophobicContact CD-CE2 4.31Å; L218-Y242 HydrophobicContact CD1-CD2 4.01Å; L218-Y242 HydrophobicContact CD1-CG 4.41Å; Y242-L244 HydrophobicContact CD1-CD2 4.04Å; Y242-L244 HydrophobicContact CE1-CD2 4.04Å; Y242-V249 WeakPolarHBondContact O-CA 3.31Å; Y242-I250 HydrophobicContact CD1-CG1 4.45Å; Y242-I250 PolarHBondContact N-O 3.2Å; Y242-I250 PolarHBondContact O-N 3.31Å
243E98.1Very high96.6Very high137 Ų13766.4 Ų66.464%0.6440%0.402SS*.EExtended strand (participates in β ladder)trans-93.1118.7177.1-171.9177.7166.100109.7V249E243-V249 HydrophobicContact CB-CG2 4.42Å; E243-V249 HydrophobicContact CG-CG2 4.37Å
244L96.5Very high96.6Very high19 Ų1963.7 Ų63.710%0.09937%0.374CS..  trans-72.7159.6175.5-64.6179000110.8F202 I210 Y242 D246 G247 Q248 I250F202-L244 HydrophobicContact CE1-CD2 4.01Å; F202-L244 HydrophobicContact CZ-CD2 4.1Å; I210-L244 HydrophobicContact CG2-CD2 3.67Å; Y242-L244 HydrophobicContact CD1-CD2 4.04Å; Y242-L244 HydrophobicContact CE1-CD2 4.04Å; L244-D246 VanDerWaalsContact CB-OD1 3.23Å; L244-D246 WeakPolarHBondContact CB-OD1 3.25Å; L244-D246 PolarHBondContact O-N 2.9Å; L244-G247 WeakPolarHBondContact O-CA 3.49Å; L244-G247 PolarHBondContact O-N 3.47Å; L244-Q248 HydrophobicContact CB-CB 4.43Å; L244-Q248 VanDerWaalsContact CB-O 3.31Å; L244-Q248 WeakPolarHBondContact CB-O 3.44Å; L244-Q248 HydrophobicContact CD1-CB 4.17Å; L244-Q248 HydrophobicContact CD1-CG 4.37Å; L244-Q248 WeakPolarHBondContact CG-O 3.47Å; L244-Q248 PolarHBondContact N-O 3.1Å; L244-I250 HydrophobicContact CD1-CD1 4.48Å; L244-I250 HydrophobicContact CD1-CG2 3.74Å; L244-I250 HydrophobicContact CD2-CD1 3.91Å; L244-I250 HydrophobicContact CD2-CG1 4.4Å; L244-I250 HydrophobicContact CG-CD1 4.3Å; L244-I250 HydrophobicContact CG-CG1 4.35Å; L244-I250 HydrophobicContact CG-CG2 4.2Å
245P93.7Very high96.7Very high109 Ų10959.2 Ų59.271%0.70834%0.342SS*.THydrogen-bonded Turntrans-59.3-19.5-179.5-26.836.2000115.7I210 G247I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.17Å; P245-G247 VanDerWaalsContact C-N 3.31Å
246D93.9Very high96.9Very high118 Ų11858.3 Ų58.363%0.63133%0.331SS*.THydrogen-bonded Turntrans-87.61.7174.763.7-1.7000113.3L244 Q248L244-D246 VanDerWaalsContact CB-OD1 3.23Å; L244-D246 WeakPolarHBondContact CB-OD1 3.25Å; L244-D246 PolarHBondContact O-N 2.9Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.27Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.43Å; D246-Q248 PolarHBondContact OD1-N 3.27Å
247G95.5Very high97.1Very high39 Ų3954.4 Ų54.440%0.40230%0.304SS..SBendtrans85.6-3-177.200000114.2L244 P245 V249L244-G247 WeakPolarHBondContact O-CA 3.49Å; L244-G247 PolarHBondContact O-N 3.47Å; P245-G247 VanDerWaalsContact C-N 3.31Å; G247-V249 PolarHBondContact O-N 3.05Å
248Q96Very high97.3Very high102 Ų10253 Ų5348%0.47729%0.286SS..  trans-68.5128.6175.4-179.8-179.9-2.100110.1L244 D246 I250L244-Q248 HydrophobicContact CB-CB 4.43Å; L244-Q248 VanDerWaalsContact CB-O 3.31Å; L244-Q248 WeakPolarHBondContact CB-O 3.44Å; L244-Q248 HydrophobicContact CD1-CB 4.17Å; L244-Q248 HydrophobicContact CD1-CG 4.37Å; L244-Q248 WeakPolarHBondContact CG-O 3.47Å; L244-Q248 PolarHBondContact N-O 3.1Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.27Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.43Å; D246-Q248 PolarHBondContact OD1-N 3.27Å; Q248-I250 HydrophobicContact CG-CG2 4.36Å
249V97.5Very high97.4Very high85 Ų8551.6 Ų51.652%0.51528%0.279SS..EExtended strand (participates in β ladder)trans-93125.4174.3-177.70000110Y242 E243 G247Y242-V249 WeakPolarHBondContact O-CA 3.31Å; E243-V249 HydrophobicContact CB-CG2 4.42Å; E243-V249 HydrophobicContact CG-CG2 4.37Å; G247-V249 PolarHBondContact O-N 3.05Å
250I97.4Very high97.4Very high1 Ų147.7 Ų47.71%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-112.6155.8174.963.5170.8000110.8Y200 F202 I214 S241 Y242 L244 Q248 I252Y200-I250 HydrophobicContact CD1-CB 4.27Å; Y200-I250 HydrophobicContact CD1-CG2 3.79Å; Y200-I250 HydrophobicContact CD2-CB 4.35Å; Y200-I250 HydrophobicContact CD2-CD1 4.48Å; Y200-I250 HydrophobicContact CE1-CB 3.85Å; Y200-I250 HydrophobicContact CE1-CG2 3.52Å; Y200-I250 HydrophobicContact CE2-CB 3.93Å; Y200-I250 HydrophobicContact CE2-CG2 4.48Å; Y200-I250 HydrophobicContact CG-CG2 4.38Å; F202-I250 HydrophobicContact CZ-CD1 3.96Å; I214-I250 HydrophobicContact CD1-CD1 4Å; S241-I250 CarbonylContact C-O 3.52Å; S241-I250 VanDerWaalsContact CA-O 3.3Å; S241-I250 WeakPolarHBondContact CA-O 3.35Å; Y242-I250 HydrophobicContact CD1-CG1 4.45Å; Y242-I250 PolarHBondContact N-O 3.2Å; Y242-I250 PolarHBondContact O-N 3.31Å; L244-I250 HydrophobicContact CD1-CD1 4.48Å; L244-I250 HydrophobicContact CD1-CG2 3.74Å; L244-I250 HydrophobicContact CD2-CD1 3.91Å; L244-I250 HydrophobicContact CD2-CG1 4.4Å; L244-I250 HydrophobicContact CG-CD1 4.3Å; L244-I250 HydrophobicContact CG-CG1 4.35Å; L244-I250 HydrophobicContact CG-CG2 4.2Å; Q248-I250 HydrophobicContact CG-CG2 4.36Å; I250-I252 HydrophobicContact CD1-CD1 3.66Å; I250-I252 HydrophobicContact CG1-CD1 3.94Å
251T97.7Very high97.4Very high46 Ų4642.7 Ų42.728%0.28224%0.239SC..EExtended strand (participates in β ladder)trans-110.2122.2179.8-600000110.4R198 Y200 E239R198-T251 WeakPolarHBondContact CD-O 3.46Å; R198-T251 PolarHBondContact NE-O 2.95Å; Y200-T251 WeakPolarHBondContact CE2-O 3.35Å; Y200-T251 PolarHBondContact OH-N 3.28Å; E239-T251 HydrophobicContact CB-CG2 3.77Å; E239-T251 HydrophobicContact CG-CG2 4.16Å
252I98.2Very high97.5Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-103123175.8-37.8-58.4000108.5L195 I214 L218 E239 K240 I250 E255 R256L195-I252 HydrophobicContact CD2-CD1 3.74Å; L195-I252 HydrophobicContact CD2-CG2 4.15Å; I214-I252 HydrophobicContact CD1-CD1 4.46Å; I214-I252 HydrophobicContact CG2-CD1 4.19Å; I214-I252 HydrophobicContact CG2-CG1 4.01Å; I214-I252 HydrophobicContact CG2-CG2 4.47Å; L218-I252 HydrophobicContact CD1-CB 4.44Å; L218-I252 HydrophobicContact CD1-CG1 3.89Å; E239-I252 WeakPolarHBondContact CA-O 3.38Å; K240-I252 PolarHBondContact N-O 2.82Å; K240-I252 PolarHBondContact O-N 2.81Å; I250-I252 HydrophobicContact CD1-CD1 3.66Å; I250-I252 HydrophobicContact CG1-CD1 3.94Å; I252-E255 HydrophobicContact CG2-CB 4.1Å; I252-R256 HydrophobicContact CB-CG 4.08Å; I252-R256 HydrophobicContact CG2-CG 3.63Å; I252-R256 WeakPolarHBondContact O-CD 3.32Å
253G97.9Very high97.5Very high3 Ų337.3 Ų37.33%0.03121%0.206CC..  trans-108.8-118.5-176.700000112.1E255 R256G253-E255 VanDerWaalsContact C-OE2 3.25Å; G253-E255 VanDerWaalsContact CA-OE2 3.3Å; G253-E255 WeakPolarHBondContact CA-OE2 3.35Å; G253-E255 PolarHBondContact N-OE2 3.4Å; G253-E255 PolarHBondContact O-N 3.28Å; G253-E255 VanDerWaalsContact O-N 3.14Å; G253-R256 VanDerWaalsContact O-CB 3.31Å; G253-R256 WeakPolarHBondContact O-CB 3.31Å; G253-R256 WeakPolarHBondContact O-CG 3.48Å; G253-R256 PolarHBondContact O-N 3.42Å; G253-R256 VanDerWaalsContact O-N 3.14Å
254N97.8Very high97.5Very high36 Ų3631 Ų3119%0.19318%0.176CC..THydrogen-bonded Turntrans-65.5-15.1-177.265.238.4000113.8M229 A232 R256 F257 R258M229-N254 HydrophobicContact SD-CB 4.23Å; A232-N254 HydrophobicContact CB-CB 3.89Å; N254-R256 PolarHBondContact O-N 3.49Å; N254-R256 VanDerWaalsContact O-N 3.11Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CE2 4.43Å; N254-F257 HydrophobicContact CB-CZ 3.59Å; N254-F257 PolarHBondContact O-N 2.87Å; N254-F257 VanDerWaalsContact O-N 3.15Å; N254-R258 HydrophobicContact CB-CG 4.48Å; N254-R258 WeakPolarHBondContact O-CB 3.41Å; N254-R258 WeakPolarHBondContact O-CG 3.33Å; N254-R258 PolarHBondContact O-N 3.1Å; N254-R258 WeakPolarHBondContact OD1-CD 3.26Å; N254-R258 PolarHBondContact OD1-NH1 2.69Å
255E98.4Very high97.6Very high8 Ų833.2 Ų33.24%0.03719%0.186CC..Hα-helixtrans-58-27.2174.1-54.778.1-162.900111.2L191 I194 L195 R198 I252 G253 F257 C259L191-E255 HydrophobicContact CD1-CB 3.91Å; I194-E255 HydrophobicContact CB-CG 4.17Å; I194-E255 HydrophobicContact CD1-CB 3.66Å; I194-E255 HydrophobicContact CD1-CG 3.99Å; I194-E255 HydrophobicContact CG1-CB 3.88Å; I194-E255 HydrophobicContact CG1-CG 3.78Å; L195-E255 HydrophobicContact CD2-CB 4.41Å; L195-E255 HydrophobicContact CD2-CG 4.33Å; R198-E255 WeakPolarHBondContact CD-OE1 3.44Å; R198-E255 IonicContact CZ-OE1 2.78Å; R198-E255 IonicContact CZ-OE2 3.94Å; R198-E255 IonicContact NH1-OE1 2.8Å; R198-E255 PolarHBondContact NH1-OE1 3.15Å; R198-E255 VanDerWaalsContact NH1-OE1 3.07Å; R198-E255 IonicContact NH1-OE2 3.67Å; R198-E255 PolarHBondContact NH1-OE2 3Å; R198-E255 VanDerWaalsContact NH1-OE2 3.15Å; I252-E255 HydrophobicContact CG2-CB 4.1Å; G253-E255 VanDerWaalsContact C-OE2 3.25Å; G253-E255 VanDerWaalsContact CA-OE2 3.3Å; G253-E255 WeakPolarHBondContact CA-OE2 3.35Å; G253-E255 PolarHBondContact N-OE2 3.4Å; G253-E255 PolarHBondContact O-N 3.28Å; G253-E255 VanDerWaalsContact O-N 3.14Å; E255-F257 VanDerWaalsContact C-N 3.32Å; E255-F257 PolarHBondContact O-N 2.81Å; E255-C259 VanDerWaalsContact O-CB 3.26Å; E255-C259 WeakPolarHBondContact O-CB 3.39Å; E255-C259 PolarHBondContact O-N 3.05Å; E255-C259 VanDerWaalsContact O-N 3.12Å
256R98.7Very high97.8Very high31 Ų3128.2 Ų28.212%0.11715%0.154CC..Hα-helixtrans-57.5-40.1177.2-64.5177.466.3-137.2-11112.9L218 C219 Y220 L238 I252 G253 N254 P260L218-R256 HydrophobicContact CB-CG 4.44Å; L218-R256 VanDerWaalsContact O-CZ 3.29Å; L218-R256 PolarHBondContact O-NE 3.36Å; L218-R256 PolarHBondContact O-NH2 3.19Å; C219-R256 CarbonylContact C-O 3.51Å; C219-R256 WeakPolarHBondContact CA-O 3.33Å; C219-R256 WeakPolarHBondContact CB-O 3.16Å; C219-R256 PolarHBondContact SG-O 2.99Å; C219-R256 VanDerWaalsContact SG-O 3.35Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.78Å; Y220-R256 PolarHBondContact N-O 3.38Å; L238-R256 PolarHBondContact O-NH1 3.21Å; I252-R256 HydrophobicContact CB-CG 4.08Å; I252-R256 HydrophobicContact CG2-CG 3.63Å; I252-R256 WeakPolarHBondContact O-CD 3.32Å; G253-R256 VanDerWaalsContact O-CB 3.31Å; G253-R256 WeakPolarHBondContact O-CB 3.31Å; G253-R256 WeakPolarHBondContact O-CG 3.48Å; G253-R256 PolarHBondContact O-N 3.42Å; G253-R256 VanDerWaalsContact O-N 3.14Å; N254-R256 PolarHBondContact O-N 3.49Å; N254-R256 VanDerWaalsContact O-N 3.11Å; R256-P260 WeakPolarHBondContact O-CD 3.39Å
257F98.6Very high98Very high0 Ų026.5 Ų26.50%015%0.151CC..Hα-helixtrans-109.3-22.518064.1-94.8000113.6Y220 A222 F225 E228 M229 A232 L238 N254 E255 C259 P260 E261Y220-F257 HydrophobicContact CD2-CB 4.39Å; Y220-F257 HydrophobicContact CE1-CB 4.24Å; Y220-F257 HydrophobicContact CE1-CD1 4.33Å; Y220-F257 HydrophobicContact CE2-CB 4.02Å; Y220-F257 AromaticContact CZ-CD1 3.87Å; Y220-F257 VanDerWaalsContact O-CA 3.28Å; Y220-F257 WeakPolarHBondContact O-CA 3.26Å; Y220-F257 WeakPolarHBondContact O-CB 3.47Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.41Å; A222-F257 HydrophobicContact CB-CB 4.24Å; A222-F257 HydrophobicContact CB-CD2 4.34Å; A222-F257 HydrophobicContact CB-CG 4.47Å; F225-F257 AromaticContact CD2-CD2 3.94Å; F225-F257 HydrophobicContact CD2-CD2 3.94Å; F225-F257 HydrophobicContact CD2-CE2 4.19Å; F225-F257 AromaticContact CE2-CD2 3.87Å; F225-F257 HydrophobicContact CE2-CD2 3.87Å; F225-F257 AromaticContact CE2-CE2 3.96Å; F225-F257 HydrophobicContact CE2-CE2 3.96Å; E228-F257 HydrophobicContact CB-CD2 4.1Å; E228-F257 HydrophobicContact CB-CE1 4.43Å; E228-F257 HydrophobicContact CB-CE2 3.83Å; E228-F257 HydrophobicContact CB-CZ 4.01Å; E228-F257 HydrophobicContact CG-CD1 3.65Å; E228-F257 HydrophobicContact CG-CD2 3.84Å; E228-F257 HydrophobicContact CG-CE1 3.59Å; E228-F257 HydrophobicContact CG-CE2 3.79Å; E228-F257 HydrophobicContact CG-CG 3.77Å; E228-F257 HydrophobicContact CG-CZ 3.67Å; M229-F257 HydrophobicContact CG-CE2 3.82Å; M229-F257 HydrophobicContact CG-CZ 4.3Å; M229-F257 HydrophobicContact SD-CE2 3.55Å; M229-F257 VanDerWaalsContact SD-CE2 3.55Å; M229-F257 HydrophobicContact SD-CZ 3.77Å; A232-F257 HydrophobicContact CB-CE1 4.02Å; A232-F257 HydrophobicContact CB-CZ 3.92Å; L238-F257 HydrophobicContact CD1-CE1 4.07Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CE2 4.43Å; N254-F257 HydrophobicContact CB-CZ 3.59Å; N254-F257 PolarHBondContact O-N 2.87Å; N254-F257 VanDerWaalsContact O-N 3.15Å; E255-F257 VanDerWaalsContact C-N 3.32Å; E255-F257 PolarHBondContact O-N 2.81Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 3.2Å; F257-P260 WeakPolarHBondContact O-CD 3.5Å; F257-E261 WeakPolarHBondContact O-CB 3.35Å; F257-E261 PolarHBondContact O-N 3.42Å
258R98.5Very high98Very high49 Ų4928 Ų2819%0.18515%0.147CC..Hα-helixtrans-62.6-37.9170.3-75.3175.167.6-155.2-3.6112.7Y190 I194 E197 F225 M229 N254 E261Y190-R258 WeakPolarHBondContact CE1-O 3.32Å; I194-R258 HydrophobicContact CD1-CB 4.21Å; E197-R258 IonicContact OE2-NH1 2.85Å; E197-R258 IonicContact OE2-NH2 3.48Å; E197-R258 PolarHBondContact OE2-NH2 2.8Å; F225-R258 HydrophobicContact CE2-CG 3.94Å; F225-R258 HydrophobicContact CZ-CG 4.06Å; M229-R258 HydrophobicContact SD-CG 3.9Å; N254-R258 HydrophobicContact CB-CG 4.48Å; N254-R258 WeakPolarHBondContact O-CB 3.41Å; N254-R258 WeakPolarHBondContact O-CG 3.33Å; N254-R258 PolarHBondContact O-N 3.1Å; N254-R258 WeakPolarHBondContact OD1-CD 3.26Å; N254-R258 PolarHBondContact OD1-NH1 2.69Å; R258-E261 PolarHBondContact O-N 3.14Å
259C98.8Very high98Very high0 Ų025.9 Ų25.90%014%0.138CC..Hα-helixtrans-59.1-60.6179.5170.80000112.4L187 Y190 L191 I194 E255 F257 E261 T262L187-C259 WeakPolarHBondContact CD2-O 3.23Å; L187-C259 PolarHBondContact O-SG 3.2Å; Y190-C259 HydrophobicContact CD1-CB 4.5Å; L191-C259 HydrophobicContact CB-CB 4.37Å; L191-C259 HydrophobicContact CD1-CB 4.04Å; I194-C259 HydrophobicContact CD1-CB 4.12Å; E255-C259 VanDerWaalsContact O-CB 3.26Å; E255-C259 WeakPolarHBondContact O-CB 3.39Å; E255-C259 PolarHBondContact O-N 3.05Å; E255-C259 VanDerWaalsContact O-N 3.12Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 3.2Å; C259-E261 PolarHBondContact O-N 3Å; C259-T262 WeakPolarHBondContact O-CG2 3.44Å; C259-T262 PolarHBondContact O-N 3Å; C259-T262 PolarHBondContact O-OG1 3.09Å
260P98.7Very high97.9Very high0 Ų025.1 Ų25.10%015%0.147CC..Hα-helixtrans-70.6-15.4-18028.7-36.3000114C219 Y220 V221 R256 F257 T262 L263 Y308C219-P260 HydrophobicContact CB-CG 4.41Å; Y220-P260 WeakPolarHBondContact O-CG 3.36Å; V221-P260 HydrophobicContact CG2-CB 3.91Å; V221-P260 HydrophobicContact CG2-CG 4.33Å; R256-P260 WeakPolarHBondContact O-CD 3.39Å; F257-P260 WeakPolarHBondContact O-CD 3.5Å; P260-T262 PolarHBondContact O-N 2.97Å; P260-T262 VanDerWaalsContact O-N 3.17Å; P260-L263 WeakPolarHBondContact O-CB 3.36Å; P260-L263 PolarHBondContact O-N 2.83Å; P260-L263 VanDerWaalsContact O-N 3.09Å; P260-Y308 HydrophobicContact CB-CD1 4.38Å; P260-Y308 HydrophobicContact CB-CD2 3.8Å; P260-Y308 HydrophobicContact CB-CE1 4.29Å; P260-Y308 HydrophobicContact CB-CE2 3.66Å; P260-Y308 HydrophobicContact CB-CG 4.16Å
261E98.7Very high97.8Very high0 Ų027.3 Ų27.30%016%0.158CC..Hα-helixtrans-58.2-26.4173.6-171.862.5-158.600112.1F225 F257 R258 C259 L263 F264 Q265 F268 R314F225-E261 HydrophobicContact CB-CG 4.42Å; F225-E261 HydrophobicContact CD1-CG 4.38Å; F225-E261 HydrophobicContact CD2-CB 3.81Å; F225-E261 HydrophobicContact CD2-CG 3.42Å; F225-E261 VanDerWaalsContact CD2-CG 3.42Å; F225-E261 HydrophobicContact CE2-CB 3.81Å; F225-E261 HydrophobicContact CE2-CG 3.68Å; F225-E261 HydrophobicContact CG-CG 3.81Å; F225-E261 HydrophobicContact CZ-CG 4.27Å; F257-E261 WeakPolarHBondContact O-CB 3.35Å; F257-E261 PolarHBondContact O-N 3.42Å; R258-E261 PolarHBondContact O-N 3.14Å; C259-E261 PolarHBondContact O-N 3Å; E261-L263 PolarHBondContact O-N 2.96Å; E261-L263 VanDerWaalsContact O-N 3.12Å; E261-F264 CarbonylContact O-C 3.55Å; E261-F264 WeakPolarHBondContact O-CA 3.39Å; E261-F264 PolarHBondContact O-N 2.84Å; E261-Q265 HydrophobicContact CG-CG 4.49Å; E261-Q265 PolarHBondContact O-N 2.8Å; E261-F268 HydrophobicContact CB-CE2 4.37Å; E261-F268 HydrophobicContact CG-CD2 4.25Å; E261-F268 HydrophobicContact CG-CE2 3.78Å; E261-R314 IonicContact OE1-CZ 3.07Å; E261-R314 IonicContact OE1-NH1 2.86Å; E261-R314 PolarHBondContact OE1-NH1 2.96Å; E261-R314 IonicContact OE1-NH2 3.51Å; E261-R314 PolarHBondContact OE1-NH2 2.96Å; E261-R314 IonicContact OE2-CZ 3.34Å; E261-R314 IonicContact OE2-NH1 2.77Å; E261-R314 PolarHBondContact OE2-NH1 3.22Å; E261-R314 IonicContact OE2-NH2 2.74Å
262T98.4Very high97.7Very high0 Ų034.8 Ų34.80%019%0.189CC..THydrogen-bonded Turntrans-62.4-22.5178.169.30000112.9L182 L187 Y190 C259 P260 F264 Q265 P266 F268 I269L182-T262 VanDerWaalsContact CD2-O 3.24Å; L182-T262 WeakPolarHBondContact CD2-O 3.35Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.36Å; Y190-T262 HydrophobicContact CD1-CG2 3.36Å; Y190-T262 HydrophobicContact CE1-CG2 3.28Å; Y190-T262 HydrophobicContact CG-CG2 4.15Å; C259-T262 WeakPolarHBondContact O-CG2 3.44Å; C259-T262 PolarHBondContact O-N 3Å; C259-T262 PolarHBondContact O-OG1 3.09Å; P260-T262 PolarHBondContact O-N 2.97Å; P260-T262 VanDerWaalsContact O-N 3.17Å; T262-F264 PolarHBondContact O-N 2.86Å; T262-Q265 CarbonylContact O-C 3.58Å; T262-Q265 VanDerWaalsContact O-C 3.28Å; T262-Q265 PolarHBondContact O-N 2.78Å; T262-P266 VanDerWaalsContact O-CA 3.25Å; T262-P266 WeakPolarHBondContact O-CA 3.42Å; T262-P266 WeakPolarHBondContact O-CD 3.31Å; T262-P266 WeakPolarHBondContact O-CG 3.38Å; T262-P266 VanDerWaalsContact O-N 3.07Å; T262-F268 HydrophobicContact CG2-CB 3.96Å; T262-I269 HydrophobicContact CG2-CG2 3.65Å
263L98.7Very high97.6Very high1 Ų137.1 Ų37.11%0.00521%0.206CC..THydrogen-bonded Turntrans-62.9-33.3170.5-65.4172000111.6L182 L187 P260 E261 G275 I276 T305 Y308 I311L182-L263 HydrophobicContact CG-CD2 4.28Å; L187-L263 HydrophobicContact CD1-CD1 4.08Å; L187-L263 HydrophobicContact CD1-CD2 4.21Å; L187-L263 HydrophobicContact CD1-CG 4.09Å; L187-L263 HydrophobicContact CD2-CG 4.36Å; P260-L263 WeakPolarHBondContact O-CB 3.36Å; P260-L263 PolarHBondContact O-N 2.83Å; P260-L263 VanDerWaalsContact O-N 3.09Å; E261-L263 PolarHBondContact O-N 2.96Å; E261-L263 VanDerWaalsContact O-N 3.12Å; L263-G275 CarbonylContact O-C 3.57Å; L263-G275 VanDerWaalsContact O-CA 3.25Å; L263-G275 WeakPolarHBondContact O-CA 3.32Å; L263-I276 HydrophobicContact CB-CD1 3.93Å; L263-I276 HydrophobicContact CB-CG1 4.14Å; L263-I276 HydrophobicContact CB-CG2 4.24Å; L263-I276 HydrophobicContact CD1-CD1 4.46Å; L263-I276 HydrophobicContact CD2-CG2 4.44Å; L263-I276 WeakPolarHBondContact O-CG1 3.38Å; L263-I276 PolarHBondContact O-N 3.07Å; L263-T305 HydrophobicContact CD1-CG2 3.78Å; L263-T305 HydrophobicContact CD2-CG2 4.08Å; L263-Y308 HydrophobicContact CD1-CD2 4.33Å; L263-Y308 HydrophobicContact CD1-CE2 4.24Å; L263-I311 HydrophobicContact CD1-CD1 4.33Å
264F98.7Very high97.6Very high3 Ų338.2 Ų38.21%0.01322%0.215CC..THydrogen-bonded Turntrans-91.6-32.2177.9-64.3-94.5000111.6V221 E261 T262 G275 I276 H277 I311 R314 M315 E318V221-F264 HydrophobicContact CG1-CD2 4.39Å; V221-F264 HydrophobicContact CG1-CE2 3.62Å; V221-F264 HydrophobicContact CG1-CZ 4.05Å; V221-F264 HydrophobicContact CG2-CE2 4.06Å; E261-F264 CarbonylContact O-C 3.55Å; E261-F264 WeakPolarHBondContact O-CA 3.39Å; E261-F264 PolarHBondContact O-N 2.84Å; T262-F264 PolarHBondContact O-N 2.86Å; F264-G275 WeakPolarHBondContact O-CA 3.44Å; F264-I276 HydrophobicContact CD1-CG1 4.3Å; F264-I276 HydrophobicContact CE1-CD1 4.18Å; F264-I276 HydrophobicContact CE1-CG1 4.07Å; F264-I276 HydrophobicContact CE2-CD1 3.92Å; F264-I276 HydrophobicContact CE2-CG1 4.37Å; F264-I276 HydrophobicContact CZ-CD1 3.73Å; F264-I276 HydrophobicContact CZ-CG1 4.11Å; F264-H277 HydrophobicContact CD1-CB 4.27Å; F264-H277 AromaticContact CD1-CG 3.93Å; F264-H277 AromaticContact CD1-ND1 3.34Å; F264-H277 VanDerWaalsContact CD1-ND1 3.34Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.35Å; F264-H277 HydrophobicContact CE1-CB 4.26Å; F264-H277 PolarHBondContact O-CE1 3.34Å; F264-I311 HydrophobicContact CE2-CG1 4.46Å; F264-I311 HydrophobicContact CZ-CG1 4.2Å; F264-R314 HydrophobicContact CD1-CG 3.91Å; F264-R314 HydrophobicContact CE1-CB 4.2Å; F264-R314 HydrophobicContact CE1-CG 3.37Å; F264-R314 HydrophobicContact CE2-CG 4.04Å; F264-R314 HydrophobicContact CG-CG 4.49Å; F264-R314 HydrophobicContact CZ-CB 3.92Å; F264-R314 HydrophobicContact CZ-CG 3.44Å; F264-R314 VanDerWaalsContact CZ-CG 3.44Å; F264-M315 HydrophobicContact CE1-CG 4.39Å; F264-M315 HydrophobicContact CE1-SD 3.71Å; F264-M315 HydrophobicContact CZ-CG 4.27Å; F264-M315 HydrophobicContact CZ-SD 3.98Å; F264-E318 HydrophobicContact CD1-CG 4.35Å; F264-E318 HydrophobicContact CE1-CG 4.41Å
265Q98Very high97.6Very high66 Ų6636.6 Ų36.631%0.30821%0.206SC..  trans-129.577.3179.7-60.6-170.71.700111.3E261 T262 S267 F268E261-Q265 HydrophobicContact CG-CG 4.49Å; E261-Q265 PolarHBondContact O-N 2.8Å; T262-Q265 CarbonylContact O-C 3.58Å; T262-Q265 VanDerWaalsContact O-C 3.28Å; T262-Q265 PolarHBondContact O-N 2.78Å; Q265-S267 PolarHBondContact O-N 2.95Å; Q265-F268 HydrophobicContact CB-CD1 4.37Å; Q265-F268 HydrophobicContact CB-CD2 4.37Å; Q265-F268 HydrophobicContact CB-CE1 4.43Å; Q265-F268 HydrophobicContact CB-CE2 4.42Å; Q265-F268 HydrophobicContact CB-CG 4.36Å; Q265-F268 HydrophobicContact CB-CZ 4.47Å; Q265-F268 WeakPolarHBondContact O-CB 3.3Å; Q265-F268 PolarHBondContact O-N 3.33Å; Q265-F268 VanDerWaalsContact O-N 3.08Å
266P98.4Very high97.6Very high4 Ų436.3 Ų36.33%0.02621%0.205CC..G310 helixtrans-60.3-19.5-177.8-26.936.1000115.5L182 T262 F268 I269 M271 S273L182-P266 HydrophobicContact CD2-CB 4.09Å; L182-P266 HydrophobicContact CD2-CG 4.08Å; T262-P266 VanDerWaalsContact O-CA 3.25Å; T262-P266 WeakPolarHBondContact O-CA 3.42Å; T262-P266 WeakPolarHBondContact O-CD 3.31Å; T262-P266 WeakPolarHBondContact O-CG 3.38Å; T262-P266 VanDerWaalsContact O-N 3.07Å; P266-F268 PolarHBondContact O-N 3.24Å; P266-F268 VanDerWaalsContact O-N 3.15Å; P266-I269 WeakPolarHBondContact O-CG1 3.47Å; P266-I269 PolarHBondContact O-N 3.11Å; P266-M271 CarbonylContact C-O 3.52Å; P266-M271 VanDerWaalsContact C-O 3.29Å; P266-M271 HydrophobicContact CB-CB 3.97Å; P266-M271 HydrophobicContact CB-CE 3.43Å; P266-M271 VanDerWaalsContact CB-CE 3.43Å; P266-M271 HydrophobicContact CB-CG 4.35Å; P266-M271 HydrophobicContact CG-CE 3.99Å; P266-M271 PolarHBondContact O-N 3.15Å; P266-M271 VanDerWaalsContact O-N 3.12Å; P266-S273 WeakPolarHBondContact CG-O 3.31Å
267S97.2Very high97.6Very high82 Ų8235.5 Ų35.557%0.57320%0.203SC*.G310 helixtrans-58.6-24.2174.459.40000113.2Q265 I269 G270 M271Q265-S267 PolarHBondContact O-N 2.95Å; S267-I269 PolarHBondContact O-N 3.33Å; S267-G270 PolarHBondContact O-N 2.64Å; S267-M271 WeakPolarHBondContact CA-O 3.48Å; S267-M271 PolarHBondContact N-O 2.97Å
268F95Very high97.6Very high71 Ų7139.3 Ų39.331%0.31122%0.221SC..G310 helixtrans-62.3-22.5175.5-76.94.2000113.7F225 E261 T262 Q265 P266F225-F268 AromaticContact CE1-CE2 3.86Å; F225-F268 HydrophobicContact CE1-CE2 3.86Å; F225-F268 AromaticContact CE1-CZ 3.86Å; F225-F268 HydrophobicContact CE1-CZ 3.86Å; F225-F268 HydrophobicContact CE2-CE2 4.32Å; F225-F268 AromaticContact CZ-CE2 3.67Å; F225-F268 HydrophobicContact CZ-CE2 3.67Å; F225-F268 HydrophobicContact CZ-CZ 4.13Å; E261-F268 HydrophobicContact CB-CE2 4.37Å; E261-F268 HydrophobicContact CG-CD2 4.25Å; E261-F268 HydrophobicContact CG-CE2 3.78Å; T262-F268 HydrophobicContact CG2-CB 3.96Å; Q265-F268 HydrophobicContact CB-CD1 4.37Å; Q265-F268 HydrophobicContact CB-CD2 4.37Å; Q265-F268 HydrophobicContact CB-CE1 4.43Å; Q265-F268 HydrophobicContact CB-CE2 4.42Å; Q265-F268 HydrophobicContact CB-CG 4.36Å; Q265-F268 HydrophobicContact CB-CZ 4.47Å; Q265-F268 WeakPolarHBondContact O-CB 3.3Å; Q265-F268 PolarHBondContact O-N 3.33Å; Q265-F268 VanDerWaalsContact O-N 3.08Å; P266-F268 PolarHBondContact O-N 3.24Å; P266-F268 VanDerWaalsContact O-N 3.15Å
269I96.3Very high97.6Very high58 Ų5837.2 Ų37.230%0.29721%0.213SC..G310 helixtrans-108.414173.159.3168.1000112.4L182 Y190 T262 P266 S267 M271L182-I269 HydrophobicContact CD1-CD1 3.52Å; L182-I269 HydrophobicContact CD2-CD1 4.16Å; L182-I269 HydrophobicContact CG-CD1 4.37Å; Y190-I269 HydrophobicContact CD1-CG2 4.1Å; Y190-I269 HydrophobicContact CD2-CG2 3.5Å; Y190-I269 HydrophobicContact CE2-CG2 4.02Å; Y190-I269 HydrophobicContact CG-CG2 3.54Å; T262-I269 HydrophobicContact CG2-CG2 3.65Å; P266-I269 WeakPolarHBondContact O-CG1 3.47Å; P266-I269 PolarHBondContact O-N 3.11Å; S267-I269 PolarHBondContact O-N 3.33Å; I269-M271 VanDerWaalsContact C-N 3.32Å; I269-M271 HydrophobicContact CG1-CB 4.25Å
270G95.8Very high97.6Very high68 Ų6837.3 Ų37.370%0.70121%0.214SC*.THydrogen-bonded Turntrans76.215.7-179.300000114.3S267S267-G270 PolarHBondContact O-N 2.64Å
271M95.6Very high97.6Very high48 Ų4840.1 Ų40.124%0.23623%0.225CC..  trans-91.5121.3176.2-173.4168.26500110.9L180 L182 P266 S267 I269 S273L180-M271 HydrophobicContact CD1-CE 3.47Å; L180-M271 VanDerWaalsContact CD1-CE 3.47Å; L180-M271 HydrophobicContact CD1-SD 4.27Å; L180-M271 HydrophobicContact CD2-CE 4.37Å; L180-M271 HydrophobicContact CG-CE 3.97Å; L182-M271 HydrophobicContact CB-CE 3.42Å; L182-M271 VanDerWaalsContact CB-CE 3.42Å; L182-M271 HydrophobicContact CB-SD 4.41Å; L182-M271 HydrophobicContact CD2-CE 3.59Å; L182-M271 HydrophobicContact CG-CE 4.09Å; P266-M271 CarbonylContact C-O 3.52Å; P266-M271 VanDerWaalsContact C-O 3.29Å; P266-M271 HydrophobicContact CB-CB 3.97Å; P266-M271 HydrophobicContact CB-CE 3.43Å; P266-M271 VanDerWaalsContact CB-CE 3.43Å; P266-M271 HydrophobicContact CB-CG 4.35Å; P266-M271 HydrophobicContact CG-CE 3.99Å; P266-M271 PolarHBondContact O-N 3.15Å; P266-M271 VanDerWaalsContact O-N 3.12Å; S267-M271 WeakPolarHBondContact CA-O 3.48Å; S267-M271 PolarHBondContact N-O 2.97Å; I269-M271 VanDerWaalsContact C-N 3.32Å; I269-M271 HydrophobicContact CG1-CB 4.25Å; M271-S273 VanDerWaalsContact C-N 3.28Å; M271-S273 PolarHBondContact O-N 3.16Å
272E95Very high97.6Very high202 Ų20242.9 Ų42.994%0.94424%0.239SC*.  trans-81.473173.5-65.3-175.5175.900110.5
273S95.9Very high97.6Very high49 Ų4942.9 Ų42.934%0.34324%0.239SC..SBendtrans-143.8156.7176.3-169.40000111L180 P266 M271L180-S273 WeakPolarHBondContact CD1-OG 3.5Å; P266-S273 WeakPolarHBondContact CG-O 3.31Å; M271-S273 VanDerWaalsContact C-N 3.28Å; M271-S273 PolarHBondContact O-N 3.16Å
274A97.9Very high97.6Very high27 Ų2742.8 Ų42.822%0.22324%0.239CC..  trans-70.4149.6173.300000111E278 T279A274-E278 HydrophobicContact CB-CB 3.86Å; A274-E278 WeakPolarHBondContact CB-OE2 3.29Å; A274-T279 HydrophobicContact CB-CG2 3.92Å
275G98.5Very high97.6Very high1 Ų145 Ų451%0.0125%0.25CC..  trans-67.3170.8176.200000113.8L263 F264 H277 E278 T279L263-G275 CarbonylContact O-C 3.57Å; L263-G275 VanDerWaalsContact O-CA 3.25Å; L263-G275 WeakPolarHBondContact O-CA 3.32Å; F264-G275 WeakPolarHBondContact O-CA 3.44Å; G275-H277 VanDerWaalsContact C-N 3.28Å; G275-H277 PolarHBondContact O-N 3.29Å; G275-E278 PolarHBondContact O-N 2.9Å; G275-T279 WeakPolarHBondContact O-CB 3.34Å; G275-T279 WeakPolarHBondContact O-CG2 3.36Å; G275-T279 PolarHBondContact O-N 2.77Å; G275-T279 PolarHBondContact O-OG1 2.97Å
276I98.7Very high97.6Very high2 Ų246.9 Ų46.91%0.0126%0.257CS..Hα-helixtrans-59.6-36-178.755.9168.9000113.1L155 T162 L180 L263 F264 T279 T280 I311 M315L155-I276 HydrophobicContact CD1-CB 4.17Å; L155-I276 HydrophobicContact CD1-CG2 4.26Å; L155-I276 HydrophobicContact CD2-CB 4.13Å; L155-I276 HydrophobicContact CD2-CD1 3.87Å; L155-I276 HydrophobicContact CD2-CG1 4.45Å; T162-I276 HydrophobicContact CG2-CG2 3.91Å; L180-I276 HydrophobicContact CD2-CG2 4.2Å; L263-I276 HydrophobicContact CB-CD1 3.93Å; L263-I276 HydrophobicContact CB-CG1 4.14Å; L263-I276 HydrophobicContact CB-CG2 4.24Å; L263-I276 HydrophobicContact CD1-CD1 4.46Å; L263-I276 HydrophobicContact CD2-CG2 4.44Å; L263-I276 WeakPolarHBondContact O-CG1 3.38Å; L263-I276 PolarHBondContact O-N 3.07Å; F264-I276 HydrophobicContact CD1-CG1 4.3Å; F264-I276 HydrophobicContact CE1-CD1 4.18Å; F264-I276 HydrophobicContact CE1-CG1 4.07Å; F264-I276 HydrophobicContact CE2-CD1 3.92Å; F264-I276 HydrophobicContact CE2-CG1 4.37Å; F264-I276 HydrophobicContact CZ-CD1 3.73Å; F264-I276 HydrophobicContact CZ-CG1 4.11Å; I276-T279 VanDerWaalsContact CA-OG1 3.26Å; I276-T279 WeakPolarHBondContact CA-OG1 3.39Å; I276-T279 PolarHBondContact O-OG1 3.35Å; I276-T279 VanDerWaalsContact O-OG1 3.07Å; I276-T280 WeakPolarHBondContact O-CB 3.4Å; I276-T280 PolarHBondContact O-N 3.15Å; I276-T280 PolarHBondContact O-OG1 3.42Å; I276-I311 HydrophobicContact CD1-CD1 4.08Å; I276-M315 HydrophobicContact CD1-SD 3.71Å; I276-M315 HydrophobicContact CG1-SD 3.77Å
277H98.6Very high97.6Very high15 Ų1546.7 Ų46.77%0.06926%0.256CS..Hα-helixtrans-68.1-47.2177.561.3-67.9000112.1F264 G275 T280 Y281 M315 E318F264-H277 HydrophobicContact CD1-CB 4.27Å; F264-H277 AromaticContact CD1-CG 3.93Å; F264-H277 AromaticContact CD1-ND1 3.34Å; F264-H277 VanDerWaalsContact CD1-ND1 3.34Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.35Å; F264-H277 HydrophobicContact CE1-CB 4.26Å; F264-H277 PolarHBondContact O-CE1 3.34Å; G275-H277 VanDerWaalsContact C-N 3.28Å; G275-H277 PolarHBondContact O-N 3.29Å; H277-T280 WeakPolarHBondContact O-CB 3.41Å; H277-T280 PolarHBondContact O-N 2.85Å; H277-Y281 PolarHBondContact O-N 3.03Å; H277-M315 HydrophobicContact CB-CE 4.27Å; H277-M315 HydrophobicContact CB-SD 3.92Å; H277-E318 HydrophobicContact CB-CB 3.61Å; H277-E318 HydrophobicContact CB-CG 4.25Å
278E98.5Very high97.6Very high80 Ų8048.3 Ų48.337%0.37426%0.258SS..Hα-helixtrans-65.4-42.6175-77.6178.8-139.300112A274 G275 T280 Y281 N282 L322A274-E278 HydrophobicContact CB-CB 3.86Å; A274-E278 WeakPolarHBondContact CB-OE2 3.29Å; G275-E278 PolarHBondContact O-N 2.9Å; E278-T280 VanDerWaalsContact C-N 3.32Å; E278-T280 PolarHBondContact O-N 2.92Å; E278-Y281 WeakPolarHBondContact O-CB 3.37Å; E278-Y281 PolarHBondContact O-N 3.13Å; E278-N282 VanDerWaalsContact O-CB 3.28Å; E278-N282 WeakPolarHBondContact O-CB 3.39Å; E278-N282 PolarHBondContact O-N 2.83Å; E278-N282 PolarHBondContact O-ND2 3.45Å; E278-N282 VanDerWaalsContact O-ND2 3.16Å; E278-L322 HydrophobicContact CG-CD1 4.03Å
279T98.5Very high97.6Very high5 Ų550.7 Ų50.73%0.03127%0.273CS..Hα-helixtrans-66.3-33.5176.7510000112.1N164 M178 A274 G275 I276 S283N164-T279 PolarHBondContact ND2-OG1 3.31Å; M178-T279 HydrophobicContact CE-CG2 4.46Å; M178-T279 WeakPolarHBondContact CG-O 3.38Å; A274-T279 HydrophobicContact CB-CG2 3.92Å; G275-T279 WeakPolarHBondContact O-CB 3.34Å; G275-T279 WeakPolarHBondContact O-CG2 3.36Å; G275-T279 PolarHBondContact O-N 2.77Å; G275-T279 PolarHBondContact O-OG1 2.97Å; I276-T279 VanDerWaalsContact CA-OG1 3.26Å; I276-T279 WeakPolarHBondContact CA-OG1 3.39Å; I276-T279 PolarHBondContact O-OG1 3.35Å; I276-T279 VanDerWaalsContact O-OG1 3.07Å; T279-S283 VanDerWaalsContact O-CB 3.3Å; T279-S283 WeakPolarHBondContact O-CB 3.44Å; T279-S283 PolarHBondContact O-N 3Å
280T98.8Very high97.6Very high2 Ų254.6 Ų54.61%0.01229%0.294CS..Hα-helixtrans-62.1-50.8169.6-53.60000110.5I153 N164 I276 H277 E278 N282 S283 I284 N299 M315 I319I153-T280 HydrophobicContact CD1-CG2 3.93Å; I153-T280 HydrophobicContact CG2-CG2 4.24Å; N164-T280 PolarHBondContact ND2-N 2.93Å; N164-T280 PolarHBondContact OD1-OG1 2.81Å; I276-T280 WeakPolarHBondContact O-CB 3.4Å; I276-T280 PolarHBondContact O-N 3.15Å; I276-T280 PolarHBondContact O-OG1 3.42Å; H277-T280 WeakPolarHBondContact O-CB 3.41Å; H277-T280 PolarHBondContact O-N 2.85Å; E278-T280 VanDerWaalsContact C-N 3.32Å; E278-T280 PolarHBondContact O-N 2.92Å; T280-N282 PolarHBondContact O-N 3.37Å; T280-S283 WeakPolarHBondContact O-CB 3.49Å; T280-S283 PolarHBondContact O-N 3.13Å; T280-I284 HydrophobicContact CG2-CD1 4.4Å; T280-I284 WeakPolarHBondContact O-CG1 3.3Å; T280-I284 PolarHBondContact O-N 3.01Å; T280-I284 VanDerWaalsContact O-N 3.1Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.26Å; T280-M315 WeakPolarHBondContact OG1-CE 3.48Å; T280-I319 HydrophobicContact CG2-CD1 3.71Å
281Y98.6Very high97.7Very high58 Ų5852.3 Ų52.323%0.22727%0.266CS..Hα-helixtrans-57.9-47.8177.1168-93.6000112.3H277 E278 S283 I284 M285 Y296 L322H277-Y281 PolarHBondContact O-N 3.03Å; E278-Y281 WeakPolarHBondContact O-CB 3.37Å; E278-Y281 PolarHBondContact O-N 3.13Å; Y281-S283 VanDerWaalsContact C-N 3.3Å; Y281-S283 PolarHBondContact O-N 2.91Å; Y281-I284 PolarHBondContact O-N 3.22Å; Y281-M285 HydrophobicContact CD1-CG 4.18Å; Y281-M285 HydrophobicContact CD2-CG 4.29Å; Y281-M285 HydrophobicContact CE1-CG 3.67Å; Y281-M285 HydrophobicContact CE2-CE 3.78Å; Y281-M285 HydrophobicContact CE2-CG 3.8Å; Y281-M285 HydrophobicContact CE2-SD 4.33Å; Y281-M285 HydrophobicContact CG-CG 4.46Å; Y281-M285 VanDerWaalsContact CZ-CG 3.47Å; Y281-M285 WeakPolarHBondContact O-CG 3.32Å; Y281-M285 PolarHBondContact O-N 3.17Å; Y281-Y296 VanDerWaalsContact CD2-OH 3.24Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.4Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.48Å; Y281-L322 HydrophobicContact CD2-CB 3.65Å; Y281-L322 HydrophobicContact CE2-CB 4.08Å; Y281-L322 WeakPolarHBondContact CE2-O 3.49Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.19Å
282N98.6Very high97.8Very high58 Ų5852.7 Ų52.731%0.3127%0.265SS..Hα-helixtrans-62.3-37.7179.8-72.3-27.3000111.7M178 E278 T280 M285 K286M178-N282 HydrophobicContact CE-CB 4.41Å; E278-N282 VanDerWaalsContact O-CB 3.28Å; E278-N282 WeakPolarHBondContact O-CB 3.39Å; E278-N282 PolarHBondContact O-N 2.83Å; E278-N282 PolarHBondContact O-ND2 3.45Å; E278-N282 VanDerWaalsContact O-ND2 3.16Å; T280-N282 PolarHBondContact O-N 3.37Å; N282-M285 PolarHBondContact O-N 3.4Å; N282-K286 WeakPolarHBondContact O-CG 3.41Å; N282-K286 PolarHBondContact O-N 2.95Å
283S98.7Very high97.9Very high0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-60.7-49.6173.5-1780000111.2I153 P166 A176 T279 T280 Y281 M285 K286 C287I153-S283 WeakPolarHBondContact CD1-OG 3.29Å; P166-S283 VanDerWaalsContact CD-OG 3.27Å; P166-S283 WeakPolarHBondContact CD-OG 3.49Å; P166-S283 WeakPolarHBondContact CG-OG 3.5Å; A176-S283 WeakPolarHBondContact O-CB 3.44Å; A176-S283 PolarHBondContact O-OG 2.84Å; T279-S283 VanDerWaalsContact O-CB 3.3Å; T279-S283 WeakPolarHBondContact O-CB 3.44Å; T279-S283 PolarHBondContact O-N 3Å; T280-S283 WeakPolarHBondContact O-CB 3.49Å; T280-S283 PolarHBondContact O-N 3.13Å; Y281-S283 VanDerWaalsContact C-N 3.3Å; Y281-S283 PolarHBondContact O-N 2.91Å; S283-M285 VanDerWaalsContact C-N 3.3Å; S283-M285 PolarHBondContact O-N 3Å; S283-K286 WeakPolarHBondContact O-CB 3.5Å; S283-K286 PolarHBondContact O-N 3.49Å; S283-K286 VanDerWaalsContact O-N 3.14Å; S283-C287 PolarHBondContact O-N 3.18Å; S283-C287 PolarHBondContact O-SG 2.87Å; S283-C287 VanDerWaalsContact O-SG 3.4Å
284I98.6Very high98Very high0 Ų050.8 Ų50.80%025%0.251CS..Hα-helixtrans-61.9-38.7176.3-61.1171.3000111.3I153 T280 Y281 K286 C287 R292 L295 Y296I153-I284 HydrophobicContact CD1-CD1 4.36Å; I153-I284 HydrophobicContact CD1-CG1 3.69Å; I153-I284 HydrophobicContact CG2-CD1 4.1Å; I153-I284 HydrophobicContact CG2-CG1 4.34Å; T280-I284 HydrophobicContact CG2-CD1 4.4Å; T280-I284 WeakPolarHBondContact O-CG1 3.3Å; T280-I284 PolarHBondContact O-N 3.01Å; T280-I284 VanDerWaalsContact O-N 3.1Å; Y281-I284 PolarHBondContact O-N 3.22Å; I284-K286 VanDerWaalsContact C-N 3.25Å; I284-K286 PolarHBondContact O-N 3.03Å; I284-C287 WeakPolarHBondContact O-CB 3.26Å; I284-C287 PolarHBondContact O-N 3.43Å; I284-C287 VanDerWaalsContact O-N 3.1Å; I284-R292 HydrophobicContact CG2-CB 3.87Å; I284-R292 HydrophobicContact CG2-CG 3.88Å; I284-R292 PolarHBondContact O-NE 3.19Å; I284-L295 HydrophobicContact CD1-CB 4.34Å; I284-L295 HydrophobicContact CG1-CB 4.06Å; I284-L295 HydrophobicContact CG1-CD1 4.43Å; I284-L295 HydrophobicContact CG2-CB 4.21Å; I284-L295 HydrophobicContact CG2-CD1 4.3Å; I284-Y296 HydrophobicContact CB-CE1 4.38Å; I284-Y296 HydrophobicContact CD1-CD1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.42Å; I284-Y296 HydrophobicContact CD1-CE1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.42Å; I284-Y296 HydrophobicContact CD1-CG 4.12Å; I284-Y296 HydrophobicContact CG1-CE1 4.5Å; I284-Y296 HydrophobicContact CG2-CD1 4.44Å; I284-Y296 HydrophobicContact CG2-CD2 4.04Å; I284-Y296 HydrophobicContact CG2-CE1 4.09Å; I284-Y296 HydrophobicContact CG2-CE2 3.65Å; I284-Y296 HydrophobicContact CG2-CG 4.41Å
285M97.9Very high98Very high48 Ų4849.5 Ų49.524%0.23624%0.24CC..Hα-helixtrans-69.4-20.1178.5-75.8-65.6135.200114Y281 N282 S283 C287 R292 Y296Y281-M285 HydrophobicContact CD1-CG 4.18Å; Y281-M285 HydrophobicContact CD2-CG 4.29Å; Y281-M285 HydrophobicContact CE1-CG 3.67Å; Y281-M285 HydrophobicContact CE2-CE 3.78Å; Y281-M285 HydrophobicContact CE2-CG 3.8Å; Y281-M285 HydrophobicContact CE2-SD 4.33Å; Y281-M285 HydrophobicContact CG-CG 4.46Å; Y281-M285 VanDerWaalsContact CZ-CG 3.47Å; Y281-M285 WeakPolarHBondContact O-CG 3.32Å; Y281-M285 PolarHBondContact O-N 3.17Å; N282-M285 PolarHBondContact O-N 3.4Å; S283-M285 VanDerWaalsContact C-N 3.3Å; S283-M285 PolarHBondContact O-N 3Å; M285-C287 VanDerWaalsContact C-N 3.34Å; M285-R292 PolarHBondContact O-NH2 3.47Å; M285-R292 PolarHBondContact SD-NH1 3.27Å; M285-Y296 HydrophobicContact CE-CE2 4.07Å; M285-Y296 WeakPolarHBondContact CE-OH 3.48Å
286K98.4Very high98Very high106 Ų10649.5 Ų49.546%0.46124%0.24SC..Hα-helixtrans-79.8-16.7170.8-74.2176.4176.6-174.50113.1A176 M178 N282 S283 I284A176-K286 HydrophobicContact CB-CB 3.7Å; M178-K286 HydrophobicContact SD-CD 4.16Å; M178-K286 PolarHBondContact SD-NZ 3.36Å; N282-K286 WeakPolarHBondContact O-CG 3.41Å; N282-K286 PolarHBondContact O-N 2.95Å; S283-K286 WeakPolarHBondContact O-CB 3.5Å; S283-K286 PolarHBondContact O-N 3.49Å; S283-K286 VanDerWaalsContact O-N 3.14Å; I284-K286 VanDerWaalsContact C-N 3.25Å; I284-K286 PolarHBondContact O-N 3.03Å
287C98.2Very high98Very high1 Ų150.8 Ų50.81%0.00725%0.25CS..SBendtrans-80.8159.6176.4-61.30000112.2P166 L173 S283 I284 M285 I291 R292 L295P166-C287 VanDerWaalsContact CB-SG 3.58Å; L173-C287 HydrophobicContact CD1-CB 4.46Å; S283-C287 PolarHBondContact O-N 3.18Å; S283-C287 PolarHBondContact O-SG 2.87Å; S283-C287 VanDerWaalsContact O-SG 3.4Å; I284-C287 WeakPolarHBondContact O-CB 3.26Å; I284-C287 PolarHBondContact O-N 3.43Å; I284-C287 VanDerWaalsContact O-N 3.1Å; M285-C287 VanDerWaalsContact C-N 3.34Å; C287-I291 HydrophobicContact CB-CD1 3.94Å; C287-I291 HydrophobicContact CB-CG1 4.04Å; C287-R292 VanDerWaalsContact O-CZ 3.28Å; C287-R292 PolarHBondContact O-NE 3.33Å; C287-R292 PolarHBondContact O-NH2 3.32Å; C287-L295 HydrophobicContact CB-CD1 3.75Å; C287-L295 VanDerWaalsContact SG-CD1 3.56Å
288D97Very high98Very high116 Ų11651.6 Ų51.662%0.6226%0.255SS*.  trans-59.5143.5175.2-69-39.8000112D290 I291 R292D288-D290 PolarHBondContact O-N 2.82Å; D288-D290 VanDerWaalsContact O-N 3.14Å; D288-I291 WeakPolarHBondContact O-CG1 3.32Å; D288-I291 PolarHBondContact O-N 2.8Å; D288-R292 WeakPolarHBondContact O-CG 3.17Å; D288-R292 PolarHBondContact O-N 3.39Å
289I96.4Very high98Very high121 Ų12148 Ų4862%0.62124%0.239SC*.Hα-helixtrans-56.4-34.5-173.5-167.6167.4000112.9I291 R292I289-I291 VanDerWaalsContact C-N 3.3Å; I289-I291 PolarHBondContact O-N 2.91Å; I289-R292 PolarHBondContact O-N 2.9Å
290D96.3Very high98Very high139 Ų13947.8 Ų47.874%0.74324%0.237SC*.Hα-helixtrans-67.1-29.5-174.7-63.7-26.9000112.7D288D288-D290 PolarHBondContact O-N 2.82Å; D288-D290 VanDerWaalsContact O-N 3.14Å
291I97.2Very high98Very high20 Ų2047.8 Ų47.810%0.10324%0.237CC..Hα-helixtrans-97-14.3-177.469.7167.4000113.2Y168 L173 C287 D288 I289 K293 D294 L295Y168-I291 HydrophobicContact CD2-CB 4Å; Y168-I291 HydrophobicContact CD2-CD1 4.3Å; Y168-I291 HydrophobicContact CD2-CG2 3.55Å; Y168-I291 HydrophobicContact CE2-CB 4.26Å; Y168-I291 HydrophobicContact CE2-CG2 3.46Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.46Å; Y168-I291 HydrophobicContact CG-CD1 4.45Å; Y168-I291 HydrophobicContact CG-CG2 4.32Å; L173-I291 HydrophobicContact CD1-CD1 3.51Å; C287-I291 HydrophobicContact CB-CD1 3.94Å; C287-I291 HydrophobicContact CB-CG1 4.04Å; D288-I291 WeakPolarHBondContact O-CG1 3.32Å; D288-I291 PolarHBondContact O-N 2.8Å; I289-I291 VanDerWaalsContact C-N 3.3Å; I289-I291 PolarHBondContact O-N 2.91Å; I291-K293 PolarHBondContact O-N 3.08Å; I291-D294 PolarHBondContact O-N 3.14Å; I291-L295 HydrophobicContact CD1-CD1 4.15Å; I291-L295 HydrophobicContact CG1-CD1 4.18Å; I291-L295 WeakPolarHBondContact O-CG 3.5Å; I291-L295 PolarHBondContact O-N 3.37Å; I291-L295 VanDerWaalsContact O-N 3.08Å
292R98.1Very high98Very high56 Ų5645 Ų4521%0.21123%0.226CC..Hα-helixtrans-57.9-36.3-175.3-64.4-174.6-170.5178.20.9113I284 M285 C287 D288 I289 D294 L295 Y296I284-R292 HydrophobicContact CG2-CB 3.87Å; I284-R292 HydrophobicContact CG2-CG 3.88Å; I284-R292 PolarHBondContact O-NE 3.19Å; M285-R292 PolarHBondContact O-NH2 3.47Å; M285-R292 PolarHBondContact SD-NH1 3.27Å; C287-R292 VanDerWaalsContact O-CZ 3.28Å; C287-R292 PolarHBondContact O-NE 3.33Å; C287-R292 PolarHBondContact O-NH2 3.32Å; D288-R292 WeakPolarHBondContact O-CG 3.17Å; D288-R292 PolarHBondContact O-N 3.39Å; I289-R292 PolarHBondContact O-N 2.9Å; R292-D294 VanDerWaalsContact C-N 3.3Å; R292-D294 PolarHBondContact O-N 2.88Å; R292-L295 PolarHBondContact O-N 3.36Å; R292-Y296 HydrophobicContact CB-CD2 4.36Å; R292-Y296 HydrophobicContact CB-CE2 4.34Å; R292-Y296 WeakPolarHBondContact O-CB 3.32Å; R292-Y296 WeakPolarHBondContact O-CD2 3.5Å; R292-Y296 PolarHBondContact O-N 3.13Å
293K97.6Very high98Very high141 Ų14142.6 Ų42.661%0.61322%0.215SC*.Hα-helixtrans-58.2-44177.3-178.5-173.6173.9-170.70111.3I291 A297 M327I291-K293 PolarHBondContact O-N 3.08Å; K293-A297 WeakPolarHBondContact O-CB 3.42Å; K293-A297 PolarHBondContact O-N 2.88Å; K293-M327 HydrophobicContact CB-SD 4.15Å; K293-M327 HydrophobicContact CG-SD 4.46Å
294D97.5Very high97.9Very high71 Ų7144.8 Ų44.838%0.3824%0.237SC..Hα-helixtrans-73.9-35.8-179.3-63.9-36.9000111.8T151 I291 R292 A297 N298T151-D294 HydrophobicContact CG2-CB 3.9Å; I291-D294 PolarHBondContact O-N 3.14Å; R292-D294 VanDerWaalsContact C-N 3.3Å; R292-D294 PolarHBondContact O-N 2.88Å; D294-A297 PolarHBondContact O-N 3.2Å; D294-N298 WeakPolarHBondContact O-CB 3.38Å; D294-N298 PolarHBondContact O-N 2.62Å; D294-N298 VanDerWaalsContact O-N 3.16Å; D294-N298 PolarHBondContact O-ND2 3.35Å
295L98.3Very high97.9Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-62.6-47.2173-60.2-179.5000111.3T151 G152 P166 I284 C287 I291 R292 A297 N298 N299T151-L295 HydrophobicContact CG2-CD2 4.49Å; G152-L295 VanDerWaalsContact C-CD2 3.44Å; G152-L295 VanDerWaalsContact O-CD2 3.31Å; G152-L295 WeakPolarHBondContact O-CD2 3.46Å; P166-L295 HydrophobicContact CB-CD1 4.05Å; P166-L295 HydrophobicContact CB-CD2 4.33Å; I284-L295 HydrophobicContact CD1-CB 4.34Å; I284-L295 HydrophobicContact CG1-CB 4.06Å; I284-L295 HydrophobicContact CG1-CD1 4.43Å; I284-L295 HydrophobicContact CG2-CB 4.21Å; I284-L295 HydrophobicContact CG2-CD1 4.3Å; C287-L295 HydrophobicContact CB-CD1 3.75Å; C287-L295 VanDerWaalsContact SG-CD1 3.56Å; I291-L295 HydrophobicContact CD1-CD1 4.15Å; I291-L295 HydrophobicContact CG1-CD1 4.18Å; I291-L295 WeakPolarHBondContact O-CG 3.5Å; I291-L295 PolarHBondContact O-N 3.37Å; I291-L295 VanDerWaalsContact O-N 3.08Å; R292-L295 PolarHBondContact O-N 3.36Å; L295-A297 VanDerWaalsContact C-N 3.3Å; L295-A297 PolarHBondContact O-N 2.94Å; L295-N298 CarbonylContact O-C 3.51Å; L295-N298 PolarHBondContact O-N 3.32Å; L295-N298 VanDerWaalsContact O-N 3.12Å; L295-N299 PolarHBondContact O-ND2 3.08Å
296Y98.4Very high98Very high1 Ų143 Ų430%0.00423%0.229CC..Hα-helixtrans-62.7-34.4176-81.1-51.7000113.5Y281 I284 M285 R292 N298 N299 I319 A323 M327 K328 I329 K330Y281-Y296 VanDerWaalsContact CD2-OH 3.24Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.4Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.48Å; I284-Y296 HydrophobicContact CB-CE1 4.38Å; I284-Y296 HydrophobicContact CD1-CD1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.42Å; I284-Y296 HydrophobicContact CD1-CE1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.42Å; I284-Y296 HydrophobicContact CD1-CG 4.12Å; I284-Y296 HydrophobicContact CG1-CE1 4.5Å; I284-Y296 HydrophobicContact CG2-CD1 4.44Å; I284-Y296 HydrophobicContact CG2-CD2 4.04Å; I284-Y296 HydrophobicContact CG2-CE1 4.09Å; I284-Y296 HydrophobicContact CG2-CE2 3.65Å; I284-Y296 HydrophobicContact CG2-CG 4.41Å; M285-Y296 HydrophobicContact CE-CE2 4.07Å; M285-Y296 WeakPolarHBondContact CE-OH 3.48Å; R292-Y296 HydrophobicContact CB-CD2 4.36Å; R292-Y296 HydrophobicContact CB-CE2 4.34Å; R292-Y296 WeakPolarHBondContact O-CB 3.32Å; R292-Y296 WeakPolarHBondContact O-CD2 3.5Å; R292-Y296 PolarHBondContact O-N 3.13Å; Y296-N298 VanDerWaalsContact C-N 3.26Å; Y296-N298 PolarHBondContact O-N 3.45Å; Y296-N299 PolarHBondContact O-ND2 3.07Å; Y296-I319 HydrophobicContact CD1-CG2 3.95Å; Y296-I319 HydrophobicContact CE1-CG2 3.9Å; Y296-A323 HydrophobicContact CD1-CB 4.22Å; Y296-A323 HydrophobicContact CE1-CB 3.67Å; Y296-A323 HydrophobicContact CE2-CB 4.29Å; Y296-M327 HydrophobicContact CD2-CB 3.95Å; Y296-M327 HydrophobicContact CD2-CG 3.69Å; Y296-M327 HydrophobicContact CD2-SD 4.01Å; Y296-M327 HydrophobicContact CE2-CB 4.48Å; Y296-M327 HydrophobicContact CE2-CG 3.98Å; Y296-M327 HydrophobicContact CG-CB 4.33Å; Y296-K328 CarbonylContact C-O 3.53Å; Y296-I329 HydrophobicContact CD1-CD1 3.37Å; Y296-I329 HydrophobicContact CD2-CD1 4.45Å; Y296-I329 HydrophobicContact CE1-CD1 4.13Å; Y296-I329 HydrophobicContact CG-CD1 3.57Å; Y296-I329 WeakPolarHBondContact O-CA 3.49Å; Y296-K330 PolarHBondContact O-N 3.25Å
297A97.9Very high98Very high28 Ų2841 Ų4123%0.23122%0.223CC..THydrogen-bonded Turntrans-78.2-8.2177.400000113.6K293 D294 L295 K330K293-A297 WeakPolarHBondContact O-CB 3.42Å; K293-A297 PolarHBondContact O-N 2.88Å; D294-A297 PolarHBondContact O-N 3.2Å; L295-A297 VanDerWaalsContact C-N 3.3Å; L295-A297 PolarHBondContact O-N 2.94Å; A297-K330 WeakPolarHBondContact O-CB 3.29Å
298N98.2Very high98Very high32 Ų3241.8 Ų41.817%0.17123%0.225CC..  trans-14062.8-175.5-62.3-66.5000111.9R149 G152 I153 D294 L295 Y296 V300 I332R149-N298 WeakPolarHBondContact CD-OD1 3.41Å; R149-N298 PolarHBondContact NE-OD1 2.94Å; G152-N298 WeakPolarHBondContact CA-O 3.31Å; I153-N298 PolarHBondContact N-O 3.41Å; D294-N298 WeakPolarHBondContact O-CB 3.38Å; D294-N298 PolarHBondContact O-N 2.62Å; D294-N298 VanDerWaalsContact O-N 3.16Å; D294-N298 PolarHBondContact O-ND2 3.35Å; L295-N298 CarbonylContact O-C 3.51Å; L295-N298 PolarHBondContact O-N 3.32Å; L295-N298 VanDerWaalsContact O-N 3.12Å; Y296-N298 VanDerWaalsContact C-N 3.26Å; Y296-N298 PolarHBondContact O-N 3.45Å; N298-V300 PolarHBondContact O-N 3.08Å; N298-I332 HydrophobicContact CB-CD1 4.3Å
299N98.6Very high98.1Very high5 Ų540.3 Ų40.33%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-86.9104172-67.4-100.3000109.5I153 T280 L295 Y296 K330 I331 I332I153-N299 HydrophobicContact CG2-CB 4.14Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.47Å; I153-N299 CarbonylContact O-C 3.18Å; I153-N299 WeakPolarHBondContact O-CA 3.48Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.26Å; L295-N299 PolarHBondContact O-ND2 3.08Å; Y296-N299 PolarHBondContact O-ND2 3.07Å; N299-K330 PolarHBondContact N-O 3.4Å; N299-K330 VanDerWaalsContact N-O 3.1Å; N299-I331 HydrophobicContact CB-CD1 3.65Å; N299-I331 CarbonylContact O-C 3.54Å; N299-I332 PolarHBondContact O-N 2.83Å
300V98.8Very high98.2Very high0 Ų035.8 Ų35.80%021%0.205CC..EExtended strand (participates in β ladder)trans-95.5126.3-177.9-178.20000110.4L144 I153 V154 L155 N298 I332L144-V300 HydrophobicContact CD1-CB 4.49Å; L144-V300 HydrophobicContact CD1-CG2 3.73Å; I153-V300 PolarHBondContact O-N 3.47Å; V154-V300 CarbonylContact C-O 3.29Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.46Å; V154-V300 HydrophobicContact CG2-CB 4.07Å; L155-V300 PolarHBondContact N-O 3.37Å; N298-V300 PolarHBondContact O-N 3.08Å; V300-I332 WeakPolarHBondContact CA-O 3.4Å; V300-I332 HydrophobicContact CG2-CB 4.2Å; V300-I332 HydrophobicContact CG2-CD1 3.95Å; V300-I332 HydrophobicContact CG2-CG2 4.44Å
301L98.9Very high98.3Very high2 Ų229.2 Ų29.21%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-89.4131.2172.7-55.8-167.5000110L155 T306 I311 A312 I331 I332 A333 R337L155-L301 HydrophobicContact CB-CD2 3.97Å; L155-L301 HydrophobicContact CD2-CD2 3.92Å; L155-L301 HydrophobicContact CG-CD2 4.39Å; L301-T306 HydrophobicContact CB-CG2 4.4Å; L301-I311 HydrophobicContact CD1-CG2 4.03Å; L301-A312 HydrophobicContact CD1-CB 4.12Å; L301-I331 HydrophobicContact CD1-CG2 3.83Å; L301-I331 HydrophobicContact CD2-CG2 4.13Å; L301-I331 HydrophobicContact CG-CG2 3.76Å; L301-I332 PolarHBondContact N-O 3.26Å; L301-A333 HydrophobicContact CB-CB 4.31Å; L301-A333 HydrophobicContact CD1-CB 3.96Å; L301-A333 HydrophobicContact CG-CB 4.29Å; L301-R337 WeakPolarHBondContact O-CB 3.48Å
302S98.6Very high98.4Very high0 Ų029.5 Ų29.50%018%0.176CC..EExtended strand (participates in β ladder)trans-137.6152.3-179173.30000111.5S143 L155 D156 S157 T306S143-S302 WeakPolarHBondContact CB-OG 3.4Å; S143-S302 WeakPolarHBondContact OG-CB 3.37Å; S143-S302 PolarHBondContact OG-OG 3.03Å; L155-S302 PolarHBondContact O-N 3.35Å; D156-S302 WeakPolarHBondContact CA-O 3.09Å; D156-S302 WeakPolarHBondContact OD1-CB 3.39Å; D156-S302 PolarHBondContact OD1-OG 3.11Å; S157-S302 PolarHBondContact N-O 3.1Å; S302-T306 WeakPolarHBondContact O-CG2 3.41Å; S302-T306 PolarHBondContact O-OG1 3.16Å
303G98.1Very high98.4Very high8 Ų831.8 Ų31.88%0.08219%0.192CC..SBendtrans90.1159.3173.100000114S157 T305 T306 R337S157-G303 CarbonylContact O-C 3.28Å; S157-G303 WeakPolarHBondContact O-CA 3.5Å; G303-T305 VanDerWaalsContact C-N 3.34Å; G303-T305 PolarHBondContact O-N 3.36Å; G303-T306 PolarHBondContact O-N 2.96Å; G303-T306 VanDerWaalsContact O-N 3.13Å; G303-T306 PolarHBondContact O-OG1 3.45Å; G303-R337 PolarHBondContact N-O 3.09Å
304G97.7Very high98.5Very high45 Ų4525.6 Ų25.646%0.46417%0.165SC..G310 helixtrans-62.4-34.2-170.200000114.5S157 T306 M307S157-G304 PolarHBondContact O-N 2.84Å; G304-T306 PolarHBondContact O-N 3.38Å; G304-M307 WeakPolarHBondContact O-CB 3.28Å; G304-M307 VanDerWaalsContact O-CG 3.22Å; G304-M307 WeakPolarHBondContact O-CG 3.46Å; G304-M307 PolarHBondContact O-N 3.28Å
305T98.6Very high98.5Very high9 Ų922.3 Ų22.36%0.05515%0.147CC..G310 helixtrans-71.8-21.7179.5-660000111.8S157 G158 G184 L187 L263 G303 M307 Y308S157-T305 WeakPolarHBondContact O-CB 3.27Å; S157-T305 PolarHBondContact O-N 2.88Å; S157-T305 VanDerWaalsContact OG-CB 3.26Å; S157-T305 WeakPolarHBondContact OG-CB 3.47Å; S157-T305 VanDerWaalsContact OG-CG2 3.29Å; S157-T305 WeakPolarHBondContact OG-CG2 3.47Å; G158-T305 PolarHBondContact O-OG1 3.37Å; G184-T305 WeakPolarHBondContact CA-OG1 3.47Å; G184-T305 PolarHBondContact N-OG1 3.16Å; G184-T305 VanDerWaalsContact N-OG1 3.16Å; L187-T305 HydrophobicContact CD1-CG2 3.76Å; L263-T305 HydrophobicContact CD1-CG2 3.78Å; L263-T305 HydrophobicContact CD2-CG2 4.08Å; G303-T305 VanDerWaalsContact C-N 3.34Å; G303-T305 PolarHBondContact O-N 3.36Å; T305-M307 PolarHBondContact O-N 2.91Å; T305-Y308 HydrophobicContact CG2-CE2 4.18Å; T305-Y308 WeakPolarHBondContact O-CD2 3.21Å
306T98.7Very high98.5Very high1 Ų125.2 Ų25.21%0.00616%0.161CC..G310 helixtrans-78.23.7171.574.80000113.6L301 S302 G303 G304 Y308 I311 R337L301-T306 HydrophobicContact CB-CG2 4.4Å; S302-T306 WeakPolarHBondContact O-CG2 3.41Å; S302-T306 PolarHBondContact O-OG1 3.16Å; G303-T306 PolarHBondContact O-N 2.96Å; G303-T306 VanDerWaalsContact O-N 3.13Å; G303-T306 PolarHBondContact O-OG1 3.45Å; G304-T306 PolarHBondContact O-N 3.38Å; T306-Y308 VanDerWaalsContact C-N 3.28Å; T306-Y308 PolarHBondContact O-N 2.87Å; T306-I311 VanDerWaalsContact O-CG2 3.29Å; T306-I311 WeakPolarHBondContact O-CG2 3.49Å; T306-R337 VanDerWaalsContact O-CZ 3.27Å; T306-R337 PolarHBondContact O-NE 3.05Å; T306-R337 PolarHBondContact O-NH2 3.13Å; T306-R337 WeakPolarHBondContact OG1-CD 3.42Å; T306-R337 PolarHBondContact OG1-NE 3.23Å
307M98.5Very high98.6Very high66 Ų6629 Ų2933%0.32518%0.177SC..G310 helixtrans-78.7-7.5179.6-64.8-63.5-6300114G304 T305 P335 R337 K338G304-M307 WeakPolarHBondContact O-CB 3.28Å; G304-M307 VanDerWaalsContact O-CG 3.22Å; G304-M307 WeakPolarHBondContact O-CG 3.46Å; G304-M307 PolarHBondContact O-N 3.28Å; T305-M307 PolarHBondContact O-N 2.91Å; M307-P335 WeakPolarHBondContact CE-O 3.31Å; M307-R337 HydrophobicContact SD-CG 3.46Å; M307-R337 WeakPolarHBondContact SD-CG 3.14Å; M307-K338 HydrophobicContact CE-CG 4.39Å; M307-K338 HydrophobicContact CG-CB 3.96Å; M307-K338 HydrophobicContact SD-CB 3.94Å; M307-K338 HydrophobicContact SD-CG 4.22Å
308Y98.7Very high98.6Very high16 Ų1629.3 Ų29.36%0.06317%0.174CC..SBendtrans-55.9132.6178.4-72.8-59.6000112.2L187 K215 C219 V221 P260 L263 T305 T306 G310 I311L187-Y308 HydrophobicContact CD1-CE2 3.67Å; L187-Y308 WeakPolarHBondContact CD1-OH 2.92Å; K215-Y308 VanDerWaalsContact CD-OH 3.26Å; K215-Y308 WeakPolarHBondContact CD-OH 3.25Å; K215-Y308 HydrophobicContact CG-CE1 4.3Å; K215-Y308 WeakPolarHBondContact CG-OH 3.18Å; C219-Y308 HydrophobicContact CB-CD1 4.11Å; C219-Y308 HydrophobicContact CB-CE1 3.57Å; V221-Y308 HydrophobicContact CG2-CD2 4.43Å; V221-Y308 HydrophobicContact CG2-CG 4.37Å; P260-Y308 HydrophobicContact CB-CD1 4.38Å; P260-Y308 HydrophobicContact CB-CD2 3.8Å; P260-Y308 HydrophobicContact CB-CE1 4.29Å; P260-Y308 HydrophobicContact CB-CE2 3.66Å; P260-Y308 HydrophobicContact CB-CG 4.16Å; L263-Y308 HydrophobicContact CD1-CD2 4.33Å; L263-Y308 HydrophobicContact CD1-CE2 4.24Å; T305-Y308 HydrophobicContact CG2-CE2 4.18Å; T305-Y308 WeakPolarHBondContact O-CD2 3.21Å; T306-Y308 VanDerWaalsContact C-N 3.28Å; T306-Y308 PolarHBondContact O-N 2.87Å; Y308-G310 PolarHBondContact O-N 3.34Å; Y308-I311 WeakPolarHBondContact O-CG2 3.3Å; Y308-I311 PolarHBondContact O-N 3.5Å
309P98.7Very high98.6Very high85 Ų8527.8 Ų27.855%0.55217%0.166SC*.THydrogen-bonded Turntrans-55.4140.5166.3-2333.7000110.7V221 I311V221-P309 PolarHBondContact N-O 2.92Å; P309-I311 VanDerWaalsContact C-N 3.3Å; P309-I311 PolarHBondContact O-N 2.9Å
310G98.7Very high98.6Very high26 Ų2631.1 Ų31.127%0.26819%0.186SC..THydrogen-bonded Turntrans81.9-10.4178.100000116Y308 A312 D313 R314Y308-G310 PolarHBondContact O-N 3.34Å; G310-A312 VanDerWaalsContact C-N 3.34Å; G310-A312 PolarHBondContact O-N 3.47Å; G310-D313 PolarHBondContact O-N 3.31Å; G310-R314 PolarHBondContact O-N 2.98Å
311I98.8Very high98.5Very high2 Ų234.9 Ų34.91%0.0122%0.218CC..Hα-helixtrans-64.4-37.6-177-166.6163.2000112.9V221 L263 F264 I276 L301 T306 Y308 P309 R314 M315V221-I311 HydrophobicContact CB-CB 4.28Å; V221-I311 HydrophobicContact CG2-CB 3.91Å; V221-I311 HydrophobicContact CG2-CD1 4.38Å; V221-I311 HydrophobicContact CG2-CG1 4.14Å; L263-I311 HydrophobicContact CD1-CD1 4.33Å; F264-I311 HydrophobicContact CE2-CG1 4.46Å; F264-I311 HydrophobicContact CZ-CG1 4.2Å; I276-I311 HydrophobicContact CD1-CD1 4.08Å; L301-I311 HydrophobicContact CD1-CG2 4.03Å; T306-I311 VanDerWaalsContact O-CG2 3.29Å; T306-I311 WeakPolarHBondContact O-CG2 3.49Å; Y308-I311 WeakPolarHBondContact O-CG2 3.3Å; Y308-I311 PolarHBondContact O-N 3.5Å; P309-I311 VanDerWaalsContact C-N 3.3Å; P309-I311 PolarHBondContact O-N 2.9Å; I311-R314 PolarHBondContact O-N 3.5Å; I311-M315 HydrophobicContact CG1-CG 4.31Å; I311-M315 WeakPolarHBondContact O-CB 3.49Å; I311-M315 VanDerWaalsContact O-CG 3.24Å; I311-M315 WeakPolarHBondContact O-CG 3.31Å; I311-M315 PolarHBondContact O-N 2.9Å
312A98.7Very high98.5Very high26 Ų2637.9 Ų37.922%0.21523%0.233CC..Hα-helixtrans-65.2-42.5178.500000111.4L301 G310 M315 Q316 I331 A333L301-A312 HydrophobicContact CD1-CB 4.12Å; G310-A312 VanDerWaalsContact C-N 3.34Å; G310-A312 PolarHBondContact O-N 3.47Å; A312-M315 PolarHBondContact O-N 3.43Å; A312-Q316 VanDerWaalsContact O-CB 3.31Å; A312-Q316 WeakPolarHBondContact O-CB 3.43Å; A312-Q316 PolarHBondContact O-N 2.8Å; A312-I331 HydrophobicContact CB-CG2 4.01Å; A312-A333 HydrophobicContact CB-CB 3.98Å
313D98.7Very high98.4Very high104 Ų10438.4 Ų38.456%0.55624%0.237SC*.Hα-helixtrans-67.3-41.6178.3-57.2-56.4000111.4L223 G310 Q316 K317L223-D313 HydrophobicContact CD1-CB 4.15Å; G310-D313 PolarHBondContact O-N 3.31Å; D313-Q316 WeakPolarHBondContact O-CB 3.44Å; D313-Q316 PolarHBondContact O-N 3.04Å; D313-K317 PolarHBondContact O-N 3.18Å
314R98.8Very high98.3Very high11 Ų1140.7 Ų40.74%0.04225%0.251CS..Hα-helixtrans-63.5-47.7174.6-175.265176.3-72.1-8.7111.4V221 A222 L223 E261 F264 G310 I311 Q316 K317 E318V221-R314 HydrophobicContact CG1-CB 3.48Å; V221-R314 VanDerWaalsContact CG1-CB 3.48Å; V221-R314 HydrophobicContact CG1-CG 3.68Å; A222-R314 WeakPolarHBondContact O-CD 3.25Å; A222-R314 PolarHBondContact O-NH1 3.24Å; L223-R314 WeakPolarHBondContact O-CD 3.34Å; E261-R314 IonicContact OE1-CZ 3.07Å; E261-R314 IonicContact OE1-NH1 2.86Å; E261-R314 PolarHBondContact OE1-NH1 2.96Å; E261-R314 IonicContact OE1-NH2 3.51Å; E261-R314 PolarHBondContact OE1-NH2 2.96Å; E261-R314 IonicContact OE2-CZ 3.34Å; E261-R314 IonicContact OE2-NH1 2.77Å; E261-R314 PolarHBondContact OE2-NH1 3.22Å; E261-R314 IonicContact OE2-NH2 2.74Å; F264-R314 HydrophobicContact CD1-CG 3.91Å; F264-R314 HydrophobicContact CE1-CB 4.2Å; F264-R314 HydrophobicContact CE1-CG 3.37Å; F264-R314 HydrophobicContact CE2-CG 4.04Å; F264-R314 HydrophobicContact CG-CG 4.49Å; F264-R314 HydrophobicContact CZ-CB 3.92Å; F264-R314 HydrophobicContact CZ-CG 3.44Å; F264-R314 VanDerWaalsContact CZ-CG 3.44Å; G310-R314 PolarHBondContact O-N 2.98Å; I311-R314 PolarHBondContact O-N 3.5Å; R314-Q316 VanDerWaalsContact C-N 3.29Å; R314-Q316 PolarHBondContact O-N 3.37Å; R314-K317 PolarHBondContact O-N 3.25Å; R314-E318 HydrophobicContact CG-CG 4.24Å; R314-E318 IonicContact CZ-OE1 3.34Å; R314-E318 IonicContact NE-OE1 3.52Å; R314-E318 PolarHBondContact NE-OE1 2.81Å; R314-E318 IonicContact NH2-OE1 3.24Å; R314-E318 PolarHBondContact NH2-OE1 3.09Å; R314-E318 VanDerWaalsContact O-CG 3.29Å; R314-E318 WeakPolarHBondContact O-CG 3.49Å; R314-E318 PolarHBondContact O-N 2.91Å
315M98.7Very high98.1Very high2 Ų244.7 Ų44.71%0.0127%0.272CS..Hα-helixtrans-59.2-40.5174.7-71.2-63.7-66.600111.7L155 F264 I276 H277 T280 I311 A312 E318 I319 I331L155-M315 HydrophobicContact CD2-CE 3.8Å; L155-M315 HydrophobicContact CD2-SD 4.2Å; F264-M315 HydrophobicContact CE1-CG 4.39Å; F264-M315 HydrophobicContact CE1-SD 3.71Å; F264-M315 HydrophobicContact CZ-CG 4.27Å; F264-M315 HydrophobicContact CZ-SD 3.98Å; I276-M315 HydrophobicContact CD1-SD 3.71Å; I276-M315 HydrophobicContact CG1-SD 3.77Å; H277-M315 HydrophobicContact CB-CE 4.27Å; H277-M315 HydrophobicContact CB-SD 3.92Å; T280-M315 WeakPolarHBondContact OG1-CE 3.48Å; I311-M315 HydrophobicContact CG1-CG 4.31Å; I311-M315 WeakPolarHBondContact O-CB 3.49Å; I311-M315 VanDerWaalsContact O-CG 3.24Å; I311-M315 WeakPolarHBondContact O-CG 3.31Å; I311-M315 PolarHBondContact O-N 2.9Å; A312-M315 PolarHBondContact O-N 3.43Å; M315-E318 PolarHBondContact O-N 3.17Å; M315-I319 HydrophobicContact CE-CD1 3.87Å; M315-I319 HydrophobicContact CE-CG1 4.3Å; M315-I319 WeakPolarHBondContact O-CB 3.47Å; M315-I319 VanDerWaalsContact O-CG1 3.31Å; M315-I319 WeakPolarHBondContact O-CG1 3.3Å; M315-I319 PolarHBondContact O-N 2.83Å; M315-I331 HydrophobicContact CB-CD1 4.07Å; M315-I331 HydrophobicContact CB-CG1 4.15Å
316Q98.7Very high97.9Very high61 Ų6150.1 Ų50.129%0.28531%0.305SS..Hα-helixtrans-61.1-46.9176.8-177.570.461.100111.1A312 D313 R314 T320 I329 I331A312-Q316 VanDerWaalsContact O-CB 3.31Å; A312-Q316 WeakPolarHBondContact O-CB 3.43Å; A312-Q316 PolarHBondContact O-N 2.8Å; D313-Q316 WeakPolarHBondContact O-CB 3.44Å; D313-Q316 PolarHBondContact O-N 3.04Å; R314-Q316 VanDerWaalsContact C-N 3.29Å; R314-Q316 PolarHBondContact O-N 3.37Å; Q316-T320 PolarHBondContact NE2-OG1 2.79Å; Q316-T320 WeakPolarHBondContact O-CB 3.36Å; Q316-T320 PolarHBondContact O-N 2.83Å; Q316-T320 VanDerWaalsContact O-N 3.15Å; Q316-T320 PolarHBondContact O-OG1 3.07Å; Q316-I329 PolarHBondContact NE2-O 2.81Å; Q316-I329 PolarHBondContact OE1-O 2.98Å; Q316-I331 HydrophobicContact CB-CG1 3.74Å
317K98.7Very high97.8Very high79 Ų7952.4 Ų52.434%0.34332%0.316SS..Hα-helixtrans-59.7-54.1176.5174.3-177.1167.5-175.80110.8L223 D224 D313 R314 T320 A321L223-K317 HydrophobicContact CD1-CB 4.06Å; L223-K317 HydrophobicContact CD1-CD 3.88Å; L223-K317 HydrophobicContact CG-CD 4.14Å; L223-K317 WeakPolarHBondContact O-CD 3.49Å; L223-K317 PolarHBondContact O-NZ 2.81Å; D224-K317 IonicContact OD2-NZ 3.88Å; D224-K317 PolarHBondContact OD2-NZ 2.87Å; D313-K317 PolarHBondContact O-N 3.18Å; R314-K317 PolarHBondContact O-N 3.25Å; K317-T320 PolarHBondContact O-N 3.08Å; K317-A321 PolarHBondContact O-N 2.92Å; K317-A321 VanDerWaalsContact O-N 3.09Å
318E98.6Very high97.7Very high36 Ų3657.3 Ų57.317%0.16834%0.336CS..Hα-helixtrans-68.7-45.1-171.5-62.6-61.7177.700112.6F264 H277 R314 M315 T320 A321 L322F264-E318 HydrophobicContact CD1-CG 4.35Å; F264-E318 HydrophobicContact CE1-CG 4.41Å; H277-E318 HydrophobicContact CB-CB 3.61Å; H277-E318 HydrophobicContact CB-CG 4.25Å; R314-E318 HydrophobicContact CG-CG 4.24Å; R314-E318 IonicContact CZ-OE1 3.34Å; R314-E318 IonicContact NE-OE1 3.52Å; R314-E318 PolarHBondContact NE-OE1 2.81Å; R314-E318 IonicContact NH2-OE1 3.24Å; R314-E318 PolarHBondContact NH2-OE1 3.09Å; R314-E318 VanDerWaalsContact O-CG 3.29Å; R314-E318 WeakPolarHBondContact O-CG 3.49Å; R314-E318 PolarHBondContact O-N 2.91Å; M315-E318 PolarHBondContact O-N 3.17Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 2.83Å; E318-A321 PolarHBondContact O-N 2.78Å; E318-L322 WeakPolarHBondContact O-CG 3.34Å; E318-L322 PolarHBondContact O-N 3.26Å; E318-L322 VanDerWaalsContact O-N 3.12Å
319I98.4Very high97.6Very high0 Ų057.3 Ų57.30%034%0.337CS..Hα-helixtrans-64.7-37.4176.6-62.7-177.6000110.7T280 Y296 M315 A321 L322 A323 I329 I331T280-I319 HydrophobicContact CG2-CD1 3.71Å; Y296-I319 HydrophobicContact CD1-CG2 3.95Å; Y296-I319 HydrophobicContact CE1-CG2 3.9Å; M315-I319 HydrophobicContact CE-CD1 3.87Å; M315-I319 HydrophobicContact CE-CG1 4.3Å; M315-I319 WeakPolarHBondContact O-CB 3.47Å; M315-I319 VanDerWaalsContact O-CG1 3.31Å; M315-I319 WeakPolarHBondContact O-CG1 3.3Å; M315-I319 PolarHBondContact O-N 2.83Å; I319-A321 VanDerWaalsContact C-N 3.27Å; I319-A321 PolarHBondContact O-N 2.73Å; I319-L322 PolarHBondContact O-N 3.24Å; I319-A323 WeakPolarHBondContact O-CB 3.46Å; I319-A323 PolarHBondContact O-N 3.29Å; I319-I329 HydrophobicContact CB-CG2 3.99Å; I319-I329 HydrophobicContact CG2-CD1 4.07Å; I319-I329 HydrophobicContact CG2-CG1 4.14Å; I319-I329 HydrophobicContact CG2-CG2 3.63Å; I319-I331 HydrophobicContact CD1-CD1 3.91Å
320T98.2Very high97.6Very high74 Ų7457.9 Ų57.945%0.45433%0.331SS..Hα-helixtrans-63.5-34.3176.6-580000112Q316 K317 E318Q316-T320 PolarHBondContact NE2-OG1 2.79Å; Q316-T320 WeakPolarHBondContact O-CB 3.36Å; Q316-T320 PolarHBondContact O-N 2.83Å; Q316-T320 VanDerWaalsContact O-N 3.15Å; Q316-T320 PolarHBondContact O-OG1 3.07Å; K317-T320 PolarHBondContact O-N 3.08Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 2.83Å
321A98.1Very high97.6Very high80 Ų8057.8 Ų57.866%0.66132%0.324SS*.Hα-helixtrans-72.1-34176.500000112.9K317 E318 I319K317-A321 PolarHBondContact O-N 2.92Å; K317-A321 VanDerWaalsContact O-N 3.09Å; E318-A321 PolarHBondContact O-N 2.78Å; I319-A321 VanDerWaalsContact C-N 3.27Å; I319-A321 PolarHBondContact O-N 2.73Å
322L98Very high97.6Very high64 Ų6458.7 Ų58.734%0.33533%0.328SS..Hα-helixtrans-83.5-34.8-179.4-66.9173.9000113.4E278 Y281 E318 I319E278-L322 HydrophobicContact CG-CD1 4.03Å; Y281-L322 HydrophobicContact CD2-CB 3.65Å; Y281-L322 HydrophobicContact CE2-CB 4.08Å; Y281-L322 WeakPolarHBondContact CE2-O 3.49Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.19Å; E318-L322 WeakPolarHBondContact O-CG 3.34Å; E318-L322 PolarHBondContact O-N 3.26Å; E318-L322 VanDerWaalsContact O-N 3.12Å; I319-L322 PolarHBondContact O-N 3.24Å
323A97Very high97.6Very high11 Ų1159.1 Ų59.19%0.09133%0.332CS..SBendtrans-73.9154.4-175.500000112.6Y296 I319 S325 M327 I329Y296-A323 HydrophobicContact CD1-CB 4.22Å; Y296-A323 HydrophobicContact CE1-CB 3.67Å; Y296-A323 HydrophobicContact CE2-CB 4.29Å; I319-A323 WeakPolarHBondContact O-CB 3.46Å; I319-A323 PolarHBondContact O-N 3.29Å; A323-S325 PolarHBondContact O-N 2.94Å; A323-M327 HydrophobicContact CB-CB 4.47Å; A323-I329 HydrophobicContact CB-CD1 3.66Å; A323-I329 HydrophobicContact CB-CG1 4.25Å
324P95Very high97.5Very high57 Ų5755 Ų5537%0.3731%0.31SS..  trans-55.3139170.7-22.532.6000111.4T326 M327P324-T326 PolarHBondContact O-N 3.25Å; P324-M327 HydrophobicContact CB-CG 4.14Å; P324-M327 HydrophobicContact CG-CG 4.25Å; P324-M327 WeakPolarHBondContact O-CB 3.41Å; P324-M327 PolarHBondContact O-N 2.87Å
325S94.4Very high97.5Very high128 Ų12859.5 Ų59.590%0.89534%0.341SS*.THydrogen-bonded Turntrans-60.8-16.6-175.258.10000115.1A323 M327A323-S325 PolarHBondContact O-N 2.94Å; S325-M327 VanDerWaalsContact C-N 3.34Å
326T94.2Very high97.3Very high123 Ų12363.4 Ų63.476%0.75536%0.36SS*.THydrogen-bonded Turntrans-80.1-14.1174.853.60000113.4P324P324-T326 PolarHBondContact O-N 3.25Å
327M95.6Very high97.3Very high49 Ų4961.8 Ų61.824%0.24135%0.351CS..SBendtrans-84.3132.9-178.4-63.2-62.6173.100111K293 Y296 A323 P324 S325 I329K293-M327 HydrophobicContact CB-SD 4.15Å; K293-M327 HydrophobicContact CG-SD 4.46Å; Y296-M327 HydrophobicContact CD2-CB 3.95Å; Y296-M327 HydrophobicContact CD2-CG 3.69Å; Y296-M327 HydrophobicContact CD2-SD 4.01Å; Y296-M327 HydrophobicContact CE2-CB 4.48Å; Y296-M327 HydrophobicContact CE2-CG 3.98Å; Y296-M327 HydrophobicContact CG-CB 4.33Å; A323-M327 HydrophobicContact CB-CB 4.47Å; P324-M327 HydrophobicContact CB-CG 4.14Å; P324-M327 HydrophobicContact CG-CG 4.25Å; P324-M327 WeakPolarHBondContact O-CB 3.41Å; P324-M327 PolarHBondContact O-N 2.87Å; S325-M327 VanDerWaalsContact C-N 3.34Å; M327-I329 HydrophobicContact CB-CD1 4.01Å
328K96.3Very high97.2Very high170 Ų17062.2 Ų62.274%0.73935%0.353SS*.  trans-88.4113.8170.6-177.1178.2-180177.60109.1Y296Y296-K328 CarbonylContact C-O 3.53Å
329I98.2Very high97.2Very high15 Ų1563.4 Ų63.48%0.07736%0.356CS..  trans-90.5132.1178.6-49.1-46.6000109.6Y296 Q316 I319 A323 M327 I331Y296-I329 HydrophobicContact CD1-CD1 3.37Å; Y296-I329 HydrophobicContact CD2-CD1 4.45Å; Y296-I329 HydrophobicContact CE1-CD1 4.13Å; Y296-I329 HydrophobicContact CG-CD1 3.57Å; Y296-I329 WeakPolarHBondContact O-CA 3.49Å; Q316-I329 PolarHBondContact NE2-O 2.81Å; Q316-I329 PolarHBondContact OE1-O 2.98Å; I319-I329 HydrophobicContact CB-CG2 3.99Å; I319-I329 HydrophobicContact CG2-CD1 4.07Å; I319-I329 HydrophobicContact CG2-CG1 4.14Å; I319-I329 HydrophobicContact CG2-CG2 3.63Å; A323-I329 HydrophobicContact CB-CD1 3.66Å; A323-I329 HydrophobicContact CB-CG1 4.25Å; M327-I329 HydrophobicContact CB-CD1 4.01Å; I329-I331 HydrophobicContact CG2-CD1 4.29Å
330K98.4Very high97.2Very high98 Ų9863.4 Ų63.443%0.42636%0.356SS..  trans-136.7119.6172.2179.1-175.8179.4-1770110.3Y296 A297 N299 I332Y296-K330 PolarHBondContact O-N 3.25Å; A297-K330 WeakPolarHBondContact O-CB 3.29Å; N299-K330 PolarHBondContact N-O 3.4Å; N299-K330 VanDerWaalsContact N-O 3.1Å; K330-I332 HydrophobicContact CD-CG1 4.35Å; K330-I332 HydrophobicContact CG-CG1 4.25Å
331I98.7Very high97.2Very high24 Ų2460.3 Ų60.312%0.12334%0.337CS..EExtended strand (participates in β ladder)trans-88.9133.3169-49.3-52.7000109.6N299 L301 A312 M315 Q316 I319 I329N299-I331 HydrophobicContact CB-CD1 3.65Å; N299-I331 CarbonylContact O-C 3.54Å; L301-I331 HydrophobicContact CD1-CG2 3.83Å; L301-I331 HydrophobicContact CD2-CG2 4.13Å; L301-I331 HydrophobicContact CG-CG2 3.76Å; A312-I331 HydrophobicContact CB-CG2 4.01Å; M315-I331 HydrophobicContact CB-CD1 4.07Å; M315-I331 HydrophobicContact CB-CG1 4.15Å; Q316-I331 HydrophobicContact CB-CG1 3.74Å; I319-I331 HydrophobicContact CD1-CD1 3.91Å; I329-I331 HydrophobicContact CG2-CD1 4.29Å
332I98.6Very high97.2Very high20 Ų2056.5 Ų56.510%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-118.3111179.5-60.1154.4000106.7R149 N298 N299 V300 L301 K330 P334R149-I332 VanDerWaalsContact CZ-CD1 3.46Å; R149-I332 VanDerWaalsContact NE-CD1 3.29Å; N298-I332 HydrophobicContact CB-CD1 4.3Å; N299-I332 PolarHBondContact O-N 2.83Å; V300-I332 WeakPolarHBondContact CA-O 3.4Å; V300-I332 HydrophobicContact CG2-CB 4.2Å; V300-I332 HydrophobicContact CG2-CD1 3.95Å; V300-I332 HydrophobicContact CG2-CG2 4.44Å; L301-I332 PolarHBondContact N-O 3.26Å; K330-I332 HydrophobicContact CD-CG1 4.35Å; K330-I332 HydrophobicContact CG-CG1 4.25Å; I332-P334 HydrophobicContact CG2-CG 4.35Å; I332-P334 WeakPolarHBondContact O-CD 3.4Å
333A98.3Very high97.3Very high36 Ų3654.7 Ų54.730%0.29830%0.296SS..  trans-123.783.7-178.800000109.8L301 A312L301-A333 HydrophobicContact CB-CB 4.31Å; L301-A333 HydrophobicContact CD1-CB 3.96Å; L301-A333 HydrophobicContact CG-CB 4.29Å; A312-A333 HydrophobicContact CB-CB 3.98Å
334P97.5Very high97.3Very high16 Ų1654.2 Ų54.210%0.10429%0.292CS..  trans-55.3141.1177.3-22.933.6000111I332 E336 R337I332-P334 HydrophobicContact CG2-CG 4.35Å; I332-P334 WeakPolarHBondContact O-CD 3.4Å; P334-E336 WeakPolarHBondContact CB-OE1 3.43Å; P334-E336 PolarHBondContact O-N 2.92Å; P334-R337 HydrophobicContact CB-CB 4.23Å; P334-R337 HydrophobicContact CG-CB 4.5Å; P334-R337 WeakPolarHBondContact O-CB 3.36Å; P334-R337 WeakPolarHBondContact O-CD 3.42Å; P334-R337 WeakPolarHBondContact O-CG 3.45Å; P334-R337 PolarHBondContact O-N 3.26Å; P334-R337 VanDerWaalsContact O-N 3.13Å; P334-R337 PolarHBondContact O-NH1 3.12Å
335P97.2Very high97.4Very high106 Ų10651.5 Ų51.569%0.68827%0.274SS*.THydrogen-bonded Turntrans-56.9-36.7178.4-26.434.8000113.4M307 R337M307-P335 WeakPolarHBondContact CE-O 3.31Å; P335-R337 VanDerWaalsContact C-N 3.31Å; P335-R337 PolarHBondContact O-N 3.49Å
336E96.3Very high97.6Very high85 Ų8545.6 Ų45.640%0.39723%0.233SC..THydrogen-bonded Turntrans-88.812.2-179.767-70.5161.200113.6P334 K338 Y339 I343P334-E336 WeakPolarHBondContact CB-OE1 3.43Å; P334-E336 PolarHBondContact O-N 2.92Å; E336-K338 PolarHBondContact O-N 2.79Å; E336-Y339 PolarHBondContact O-N 3.23Å; E336-I343 HydrophobicContact CB-CD1 4.3Å; E336-I343 HydrophobicContact CG-CD1 3.62Å
337R97.7Very high97.7Very high26 Ų2642.9 Ų42.910%0.09821%0.213CC..G310 helixtrans-58-17.7-171.467.5-171172.9-772116.9L301 G303 T306 M307 P334 P335 Y339 S340L301-R337 WeakPolarHBondContact O-CB 3.48Å; G303-R337 PolarHBondContact N-O 3.09Å; T306-R337 VanDerWaalsContact O-CZ 3.27Å; T306-R337 PolarHBondContact O-NE 3.05Å; T306-R337 PolarHBondContact O-NH2 3.13Å; T306-R337 WeakPolarHBondContact OG1-CD 3.42Å; T306-R337 PolarHBondContact OG1-NE 3.23Å; M307-R337 HydrophobicContact SD-CG 3.46Å; M307-R337 WeakPolarHBondContact SD-CG 3.14Å; P334-R337 HydrophobicContact CB-CB 4.23Å; P334-R337 HydrophobicContact CG-CB 4.5Å; P334-R337 WeakPolarHBondContact O-CB 3.36Å; P334-R337 WeakPolarHBondContact O-CD 3.42Å; P334-R337 WeakPolarHBondContact O-CG 3.45Å; P334-R337 PolarHBondContact O-N 3.26Å; P334-R337 VanDerWaalsContact O-N 3.13Å; P334-R337 PolarHBondContact O-NH1 3.12Å; P335-R337 VanDerWaalsContact C-N 3.31Å; P335-R337 PolarHBondContact O-N 3.49Å; R337-Y339 PolarHBondContact O-N 3.44Å; R337-S340 VanDerWaalsContact CA-OG 3.3Å; R337-S340 WeakPolarHBondContact CA-OG 3.39Å; R337-S340 PolarHBondContact O-N 3.36Å
338K97.4Very high97.6Very high88 Ų8841.5 Ų41.538%0.38321%0.207SC..G310 helixtrans-61.1-19.5167.557.5168.3174.3167.40113.5K20 M307 E336K20-K338 WeakPolarHBondContact CE-O 3.27Å; M307-K338 HydrophobicContact CE-CG 4.39Å; M307-K338 HydrophobicContact CG-CB 3.96Å; M307-K338 HydrophobicContact SD-CB 3.94Å; M307-K338 HydrophobicContact SD-CG 4.22Å; E336-K338 PolarHBondContact O-N 2.79Å
339Y98Very high97.6Very high61 Ų6133.5 Ų33.524%0.23917%0.172CC..G310 helixtrans-115.53.2179.9-52.7-37.5000112.9K20 P29 V32 E336 R337 V341 W342 I343K20-Y339 HydrophobicContact CD-CD1 3.75Å; K20-Y339 HydrophobicContact CD-CE1 4.35Å; P29-Y339 HydrophobicContact CG-CD1 4.36Å; P29-Y339 HydrophobicContact CG-CG 4.43Å; V32-Y339 HydrophobicContact CG2-CE1 4.29Å; E336-Y339 PolarHBondContact O-N 3.23Å; R337-Y339 PolarHBondContact O-N 3.44Å; Y339-V341 VanDerWaalsContact C-N 3.25Å; Y339-V341 PolarHBondContact O-N 3.19Å; Y339-V341 VanDerWaalsContact O-N 3.16Å; Y339-W342 PolarHBondContact O-N 3.1Å; Y339-I343 WeakPolarHBondContact O-CG1 3.38Å; Y339-I343 PolarHBondContact O-N 3.35Å
340S98.3Very high97.4Very high1 Ų135.9 Ų35.91%0.00719%0.19CC..Hα-helixtrans-53.2-40.1-175.6-80.20000113.6A146 R337 W342 I343 G344A146-S340 VanDerWaalsContact CB-O 3.25Å; A146-S340 WeakPolarHBondContact CB-O 3.41Å; R337-S340 VanDerWaalsContact CA-OG 3.3Å; R337-S340 WeakPolarHBondContact CA-OG 3.39Å; R337-S340 PolarHBondContact O-N 3.36Å; S340-W342 PolarHBondContact O-N 3.5Å; S340-I343 PolarHBondContact O-N 3.5Å; S340-G344 PolarHBondContact O-N 2.79Å
341V98.5Very high97.1Very high8 Ų834.8 Ų34.85%0.04819%0.189CC..Hα-helixtrans-57.7-51.8176.81750000110.9D13 T108 Q139 L142 S143 Y339 G344 G345D13-V341 HydrophobicContact CB-CG1 4.06Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.47Å; T108-V341 HydrophobicContact CG2-CG1 3.74Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.88Å; Q139-V341 HydrophobicContact CG-CG1 3.77Å; Q139-V341 HydrophobicContact CG-CG2 4.39Å; L142-V341 WeakPolarHBondContact CB-O 3.12Å; L142-V341 HydrophobicContact CD1-CG1 4.27Å; S143-V341 WeakPolarHBondContact OG-CG2 3.41Å; S143-V341 PolarHBondContact OG-N 2.9Å; Y339-V341 VanDerWaalsContact C-N 3.25Å; Y339-V341 PolarHBondContact O-N 3.19Å; Y339-V341 VanDerWaalsContact O-N 3.16Å; V341-G344 PolarHBondContact O-N 2.92Å; V341-G345 PolarHBondContact O-N 2.89Å
342W98.6Very high96.7Very high0 Ų038.2 Ų38.20%022%0.215CC..Hα-helixtrans-66.7-42.7-178.6-176.591.3000111.3V11 D13 K20 D26 A28 P29 Y339 S340 G344 G345 S346V11-W342 HydrophobicContact CG1-CG 4.26Å; V11-W342 PolarHBondContact O-NE1 3.45Å; D13-W342 HydrophobicContact CB-CB 4.21Å; K20-W342 HydrophobicContact CB-CB 4.31Å; K20-W342 HydrophobicContact CB-CG 4.32Å; D26-W342 HydrophobicContact CB-CH2 3.84Å; D26-W342 VanDerWaalsContact O-CH2 3.32Å; D26-W342 WeakPolarHBondContact O-CH2 3.48Å; D26-W342 WeakPolarHBondContact O-CZ3 3.42Å; A28-W342 VanDerWaalsContact CA-CZ3 3.48Å; A28-W342 WeakPolarHBondContact O-CH2 3.48Å; A28-W342 WeakPolarHBondContact O-CZ3 3.48Å; P29-W342 HydrophobicContact CB-CD2 3.72Å; P29-W342 HydrophobicContact CB-CE3 4.2Å; P29-W342 HydrophobicContact CB-CG 3.97Å; P29-W342 HydrophobicContact CB-CZ2 4.42Å; P29-W342 HydrophobicContact CG-CD2 4.28Å; P29-W342 HydrophobicContact CG-CE3 4.39Å; P29-W342 HydrophobicContact CG-CG 4.48Å; Y339-W342 PolarHBondContact O-N 3.1Å; S340-W342 PolarHBondContact O-N 3.5Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.01Å; W342-G345 PolarHBondContact O-N 3.21Å; W342-G345 VanDerWaalsContact O-N 3.15Å; W342-S346 PolarHBondContact O-N 3.05Å
343I98.3Very high96.2Very high27 Ų2741.5 Ų41.514%0.13824%0.236CC..Hα-helixtrans-59.9-43.8176.5-66.7168000110.3A146 E336 Y339 S340 G345 S346 I347A146-I343 HydrophobicContact CB-CB 4.14Å; A146-I343 HydrophobicContact CB-CG2 3.92Å; E336-I343 HydrophobicContact CB-CD1 4.3Å; E336-I343 HydrophobicContact CG-CD1 3.62Å; Y339-I343 WeakPolarHBondContact O-CG1 3.38Å; Y339-I343 PolarHBondContact O-N 3.35Å; S340-I343 PolarHBondContact O-N 3.5Å; I343-G345 VanDerWaalsContact C-N 3.33Å; I343-G345 PolarHBondContact O-N 2.93Å; I343-S346 WeakPolarHBondContact O-CB 3.2Å; I343-S346 PolarHBondContact O-N 3.4Å; I343-I347 HydrophobicContact CG2-CD1 3.94Å; I343-I347 WeakPolarHBondContact O-CG1 3.41Å; I343-I347 PolarHBondContact O-N 2.82Å
344G97.8Very high95.9Very high0 Ų040.1 Ų40.10%022%0.223CC..Hα-helixtrans-62.7-39.2176.400000113L142 S340 V341 W342 L348L142-G344 VanDerWaalsContact O-CA 3.25Å; L142-G344 WeakPolarHBondContact O-CA 3.47Å; S340-G344 PolarHBondContact O-N 2.79Å; V341-G344 PolarHBondContact O-N 2.92Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.01Å; G344-L348 VanDerWaalsContact O-CB 3.29Å; G344-L348 WeakPolarHBondContact O-CB 3.39Å; G344-L348 PolarHBondContact O-N 3.32Å
345G97.8Very high95.4Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-64.7-42.1172.300000112.6V341 W342 I343 L348 A349V341-G345 PolarHBondContact O-N 2.89Å; W342-G345 PolarHBondContact O-N 3.21Å; W342-G345 VanDerWaalsContact O-N 3.15Å; I343-G345 VanDerWaalsContact C-N 3.33Å; I343-G345 PolarHBondContact O-N 2.93Å; G345-L348 PolarHBondContact O-N 2.9Å; G345-A349 VanDerWaalsContact O-CB 3.26Å; G345-A349 WeakPolarHBondContact O-CB 3.22Å; G345-A349 PolarHBondContact O-N 3.21Å
346S97.8Very high95.1Very high4 Ų444.6 Ų44.63%0.02823%0.234CC..Hα-helixtrans-60.4-47.9176.3-1800000111.1G25 D26 W342 I343 S350G25-S346 PolarHBondContact N-OG 3.02Å; D26-S346 PolarHBondContact N-OG 3.14Å; D26-S346 PolarHBondContact O-OG 2.88Å; W342-S346 PolarHBondContact O-N 3.05Å; I343-S346 WeakPolarHBondContact O-CB 3.2Å; I343-S346 PolarHBondContact O-N 3.4Å; S346-S350 WeakPolarHBondContact O-CB 3.47Å; S346-S350 PolarHBondContact O-N 3.39Å; S346-S350 VanDerWaalsContact O-N 3.14Å; S346-S350 PolarHBondContact O-OG 3.45Å
347I95.7Very high95Very high67 Ų6743.8 Ų43.834%0.34423%0.231SC..Hα-helixtrans-59.8-55.4174.6-67.4165.4000109.9I343 A349 S350 L351I343-I347 HydrophobicContact CG2-CD1 3.94Å; I343-I347 WeakPolarHBondContact O-CG1 3.41Å; I343-I347 PolarHBondContact O-N 2.82Å; I347-A349 PolarHBondContact O-N 2.87Å; I347-S350 PolarHBondContact O-N 3.17Å; I347-S350 VanDerWaalsContact O-N 3.08Å; I347-S350 PolarHBondContact O-OG 3.46Å; I347-L351 WeakPolarHBondContact O-CG 3.49Å; I347-L351 PolarHBondContact O-N 3.47Å
348L95.2Very high94.9Very high20 Ų2043.2 Ų43.211%0.10523%0.229CC..Hα-helixtrans-57.4-48-175.5-178.563.1000112.3L106 L142 Y145 G344 G345 S350 L351 F354L106-L348 HydrophobicContact CD1-CD2 4.2Å; L142-L348 HydrophobicContact CD2-CB 4.3Å; L142-L348 HydrophobicContact CD2-CD2 3.61Å; Y145-L348 HydrophobicContact CD2-CB 4.48Å; Y145-L348 HydrophobicContact CD2-CD1 4.3Å; Y145-L348 HydrophobicContact CD2-CD2 4.47Å; Y145-L348 HydrophobicContact CE2-CD1 3.96Å; Y145-L348 HydrophobicContact CE2-CD2 4.26Å; G344-L348 VanDerWaalsContact O-CB 3.29Å; G344-L348 WeakPolarHBondContact O-CB 3.39Å; G344-L348 PolarHBondContact O-N 3.32Å; G345-L348 PolarHBondContact O-N 2.9Å; L348-S350 PolarHBondContact O-N 3.07Å; L348-L351 HydrophobicContact CD1-CD1 4.37Å; L348-L351 WeakPolarHBondContact O-CB 3.3Å; L348-L351 PolarHBondContact O-N 2.85Å; L348-F354 HydrophobicContact CD1-CD2 3.54Å; L348-F354 HydrophobicContact CD1-CE2 3.98Å; L348-F354 HydrophobicContact CD1-CG 4.16Å; L348-F354 HydrophobicContact CD2-CD2 4.15Å; L348-F354 HydrophobicContact CD2-CE2 3.7Å; L348-F354 HydrophobicContact CD2-CZ 4.18Å; L348-F354 HydrophobicContact CG-CD2 3.6Å; L348-F354 HydrophobicContact CG-CE2 3.64Å; L348-F354 HydrophobicContact CG-CG 4.09Å; L348-F354 HydrophobicContact CG-CZ 4.14Å; L348-F354 WeakPolarHBondContact O-CB 3.39Å; L348-F354 VanDerWaalsContact O-CG 3.32Å; L348-F354 WeakPolarHBondContact O-CG 3.4Å
349A95.8Very high95Very high2 Ų239 Ų392%0.01721%0.21CC..Hα-helixtrans-69-20.2-179.200000113.3A9 V11 A24 L106 G345 I347 Q355 W358A9-A349 HydrophobicContact CB-CB 4.18Å; V11-A349 HydrophobicContact CG2-CB 4.28Å; A24-A349 HydrophobicContact CB-CB 3.64Å; L106-A349 HydrophobicContact CD1-CB 4.29Å; G345-A349 VanDerWaalsContact O-CB 3.26Å; G345-A349 WeakPolarHBondContact O-CB 3.22Å; G345-A349 PolarHBondContact O-N 3.21Å; I347-A349 PolarHBondContact O-N 2.87Å; A349-Q355 PolarHBondContact O-NE2 3.4Å; A349-W358 HydrophobicContact CB-CH2 4.33Å; A349-W358 HydrophobicContact CB-CZ2 4.11Å
350S93.4Very high95Very high65 Ų6538 Ų3846%0.45521%0.212SC..Hα-helixtrans-84.7-11175.174.50000114.1S346 I347 L348S346-S350 WeakPolarHBondContact O-CB 3.47Å; S346-S350 PolarHBondContact O-N 3.39Å; S346-S350 VanDerWaalsContact O-N 3.14Å; S346-S350 PolarHBondContact O-OG 3.45Å; I347-S350 PolarHBondContact O-N 3.17Å; I347-S350 VanDerWaalsContact O-N 3.08Å; I347-S350 PolarHBondContact O-OG 3.46Å; L348-S350 PolarHBondContact O-N 3.07Å
351L92.1Very high94.9Very high74 Ų7440.7 Ų40.739%0.38722%0.224SC..  trans-74.5129.3179.5-63.1177.4000110.7I347 L348 T353 F354I347-L351 WeakPolarHBondContact O-CG 3.49Å; I347-L351 PolarHBondContact O-N 3.47Å; L348-L351 HydrophobicContact CD1-CD1 4.37Å; L348-L351 WeakPolarHBondContact O-CB 3.3Å; L348-L351 PolarHBondContact O-N 2.85Å; L351-T353 PolarHBondContact O-N 3.23Å; L351-F354 HydrophobicContact CB-CB 4.07Å; L351-F354 VanDerWaalsContact O-CB 3.31Å; L351-F354 WeakPolarHBondContact O-CB 3.48Å; L351-F354 PolarHBondContact O-N 3.33Å
352S90Very high94.9Very high97 Ų9746.7 Ų46.768%0.67825%0.251SS*.G310 helixtrans-59.3-34.4174.957.10000112.6F354 Q355S352-F354 PolarHBondContact O-N 3.42Å; S352-Q355 WeakPolarHBondContact O-CB 3.39Å; S352-Q355 WeakPolarHBondContact O-CG 3.23Å; S352-Q355 PolarHBondContact O-N 2.75Å
353T88.4Confident94.9Very high89 Ų8949.1 Ų49.155%0.54626%0.262SS..G310 helixtrans-68.8-16.1175.153.10000113.6L351 Q356L351-T353 PolarHBondContact O-N 3.23Å; T353-Q356 VanDerWaalsContact O-CD 3.3Å; T353-Q356 WeakPolarHBondContact O-CG 3.34Å; T353-Q356 PolarHBondContact O-NE2 3.02Å
354F91.1Very high94.9Very high7 Ų748.2 Ų48.23%0.03126%0.257CS..G310 helixtrans-83.6-18.6175.7-175.6-102.6000112.5L106 Y135 L348 L351 S352 Q356 M357 W358L106-F354 HydrophobicContact CD1-CE1 4.28Å; L106-F354 HydrophobicContact CD1-CZ 4.03Å; Y135-F354 HydrophobicContact CD1-CE2 4.05Å; Y135-F354 AromaticContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD2-CE2 4.23Å; Y135-F354 AromaticContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CE1-CE2 4.02Å; Y135-F354 HydrophobicContact CE1-CZ 4.09Å; Y135-F354 HydrophobicContact CE2-CE2 4.21Å; Y135-F354 HydrophobicContact CE2-CZ 4.35Å; Y135-F354 HydrophobicContact CG-CE2 4.15Å; Y135-F354 AromaticContact CG-CZ 3.52Å; Y135-F354 HydrophobicContact CG-CZ 3.52Å; L348-F354 HydrophobicContact CD1-CD2 3.54Å; L348-F354 HydrophobicContact CD1-CE2 3.98Å; L348-F354 HydrophobicContact CD1-CG 4.16Å; L348-F354 HydrophobicContact CD2-CD2 4.15Å; L348-F354 HydrophobicContact CD2-CE2 3.7Å; L348-F354 HydrophobicContact CD2-CZ 4.18Å; L348-F354 HydrophobicContact CG-CD2 3.6Å; L348-F354 HydrophobicContact CG-CE2 3.64Å; L348-F354 HydrophobicContact CG-CG 4.09Å; L348-F354 HydrophobicContact CG-CZ 4.14Å; L348-F354 WeakPolarHBondContact O-CB 3.39Å; L348-F354 VanDerWaalsContact O-CG 3.32Å; L348-F354 WeakPolarHBondContact O-CG 3.4Å; L351-F354 HydrophobicContact CB-CB 4.07Å; L351-F354 VanDerWaalsContact O-CB 3.31Å; L351-F354 WeakPolarHBondContact O-CB 3.48Å; L351-F354 PolarHBondContact O-N 3.33Å; S352-F354 PolarHBondContact O-N 3.42Å; F354-Q356 PolarHBondContact O-N 3.05Å; F354-Q356 VanDerWaalsContact O-N 3.07Å; F354-M357 HydrophobicContact CD2-CB 3.81Å; F354-M357 HydrophobicContact CD2-CG 4.02Å; F354-M357 HydrophobicContact CE2-CB 3.84Å; F354-M357 HydrophobicContact CE2-CG 4.42Å; F354-M357 HydrophobicContact CG-CB 4.4Å; F354-M357 HydrophobicContact CZ-CB 4.45Å; F354-M357 WeakPolarHBondContact O-CA 3.42Å; F354-M357 VanDerWaalsContact O-CB 3.25Å; F354-M357 WeakPolarHBondContact O-CB 3.46Å; F354-M357 PolarHBondContact O-N 3.08Å; F354-W358 AromaticContact CD1-CE2 3.92Å; F354-W358 HydrophobicContact CD1-CZ2 4.06Å; F354-W358 AromaticContact CE1-CD2 3.93Å; F354-W358 HydrophobicContact CE1-CD2 3.93Å; F354-W358 AromaticContact CE1-CE2 3.59Å; F354-W358 HydrophobicContact CE1-CE3 4.21Å; F354-W358 AromaticContact CE1-CH2 3.91Å; F354-W358 HydrophobicContact CE1-CH2 3.91Å; F354-W358 AromaticContact CE1-CZ2 3.58Å; F354-W358 HydrophobicContact CE1-CZ2 3.58Å; F354-W358 HydrophobicContact CE1-CZ3 4.2Å
355Q87.8Confident94.9Very high75 Ų7553.3 Ų53.335%0.3528%0.284SS..G310 helixtrans-59.4-28.9-174.8-60.8-55-28.700113.6A349 S352 M357 W358A349-Q355 PolarHBondContact O-NE2 3.4Å; S352-Q355 WeakPolarHBondContact O-CB 3.39Å; S352-Q355 WeakPolarHBondContact O-CG 3.23Å; S352-Q355 PolarHBondContact O-N 2.75Å; Q355-M357 VanDerWaalsContact C-N 3.32Å; Q355-M357 PolarHBondContact O-N 3.36Å; Q355-W358 VanDerWaalsContact O-CD1 3.24Å
356Q90.6Very high94.9Very high140 Ų14060.1 Ų60.165%0.65432%0.316SS*.G310 helixtrans-78.7-10.8175.365.6-1422.100114.9T353 F354T353-Q356 VanDerWaalsContact O-CD 3.3Å; T353-Q356 WeakPolarHBondContact O-CG 3.34Å; T353-Q356 PolarHBondContact O-NE2 3.02Å; F354-Q356 PolarHBondContact O-N 3.05Å; F354-Q356 VanDerWaalsContact O-N 3.07Å
357M94.1Very high94.9Very high68 Ų6861.5 Ų61.534%0.33533%0.328SS..G310 helixtrans-88.1-19.8-177.7-61.8-59.7-63.600112.8Y135 F354 Q355Y135-M357 WeakPolarHBondContact CD2-O 3.27Å; Y135-M357 HydrophobicContact CE2-CB 4.19Å; F354-M357 HydrophobicContact CD2-CB 3.81Å; F354-M357 HydrophobicContact CD2-CG 4.02Å; F354-M357 HydrophobicContact CE2-CB 3.84Å; F354-M357 HydrophobicContact CE2-CG 4.42Å; F354-M357 HydrophobicContact CG-CB 4.4Å; F354-M357 HydrophobicContact CZ-CB 4.45Å; F354-M357 WeakPolarHBondContact O-CA 3.42Å; F354-M357 VanDerWaalsContact O-CB 3.25Å; F354-M357 WeakPolarHBondContact O-CB 3.46Å; F354-M357 PolarHBondContact O-N 3.08Å; Q355-M357 VanDerWaalsContact C-N 3.32Å; Q355-M357 PolarHBondContact O-N 3.36Å
358W96.7Very high95Very high15 Ų1559.3 Ų59.36%0.05732%0.322CS..SBendtrans-52.6144.3174.4-69.6121.7000111.4A9 P104 L106 A133 A349 F354 Q355 K375A9-W358 HydrophobicContact CB-CH2 3.9Å; A9-W358 HydrophobicContact CB-CZ2 3.62Å; P104-W358 HydrophobicContact CB-CD2 4.38Å; P104-W358 HydrophobicContact CB-CE3 4.49Å; P104-W358 HydrophobicContact CB-CH2 4.14Å; P104-W358 HydrophobicContact CB-CZ2 4.01Å; P104-W358 HydrophobicContact CB-CZ3 4.38Å; L106-W358 HydrophobicContact CB-CH2 3.85Å; L106-W358 HydrophobicContact CB-CZ3 4.12Å; A133-W358 HydrophobicContact CB-CB 4.08Å; A133-W358 HydrophobicContact CB-CG 4.36Å; A349-W358 HydrophobicContact CB-CH2 4.33Å; A349-W358 HydrophobicContact CB-CZ2 4.11Å; F354-W358 AromaticContact CD1-CE2 3.92Å; F354-W358 HydrophobicContact CD1-CZ2 4.06Å; F354-W358 AromaticContact CE1-CD2 3.93Å; F354-W358 HydrophobicContact CE1-CD2 3.93Å; F354-W358 AromaticContact CE1-CE2 3.59Å; F354-W358 HydrophobicContact CE1-CE3 4.21Å; F354-W358 AromaticContact CE1-CH2 3.91Å; F354-W358 HydrophobicContact CE1-CH2 3.91Å; F354-W358 AromaticContact CE1-CZ2 3.58Å; F354-W358 HydrophobicContact CE1-CZ2 3.58Å; F354-W358 HydrophobicContact CE1-CZ3 4.2Å; Q355-W358 VanDerWaalsContact O-CD1 3.24Å; W358-K375 PolarHBondContact O-NZ 3.4Å
359I98.2Very high95.1Very high0 Ų060.1 Ų60.10%033%0.329CS..EExtended strand (participates in β ladder)trans-87.5115.7162.5-56169.3000105.1F126 A133 M134 E363 I371 V372 K375F126-I359 HydrophobicContact CE2-CG2 3.88Å; F126-I359 HydrophobicContact CZ-CB 4.34Å; F126-I359 HydrophobicContact CZ-CG2 3.92Å; F126-I359 WeakPolarHBondContact CZ-O 3.49Å; A133-I359 CarbonylContact C-O 3.47Å; A133-I359 WeakPolarHBondContact CA-O 3.39Å; A133-I359 WeakPolarHBondContact CB-O 3.41Å; M134-I359 PolarHBondContact N-O 3.1Å; M134-I359 WeakPolarHBondContact O-CB 3.35Å; M134-I359 PolarHBondContact O-N 3.41Å; I359-E363 HydrophobicContact CG2-CB 4.43Å; I359-I371 HydrophobicContact CD1-CG2 4.34Å; I359-I371 HydrophobicContact CG2-CB 4.49Å; I359-I371 HydrophobicContact CG2-CG1 3.98Å; I359-I371 HydrophobicContact CG2-CG2 3.63Å; I359-V372 HydrophobicContact CD1-CB 4.2Å; I359-V372 HydrophobicContact CD1-CG2 4.28Å; I359-K375 HydrophobicContact CD1-CB 4.12Å; I359-K375 HydrophobicContact CG1-CB 3.72Å; I359-K375 HydrophobicContact CG1-CG 4.06Å
360S97.7Very high95.2Very high39 Ų3962.1 Ų62.127%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-79.915817561.80000111.6Q362 E363 Y364S360-Q362 PolarHBondContact O-N 3.11Å; S360-E363 PolarHBondContact N-OE2 3.17Å; S360-E363 PolarHBondContact O-N 3.47Å; S360-E363 VanDerWaalsContact O-N 3.16Å; S360-E363 VanDerWaalsContact OG-CG 3.3Å; S360-E363 WeakPolarHBondContact OG-CG 3.38Å; S360-E363 PolarHBondContact OG-N 2.94Å; S360-E363 PolarHBondContact OG-OE2 3.26Å; S360-Y364 PolarHBondContact O-N 3.15Å
361K97.8Very high95.4Very high58 Ų5859.6 Ų59.625%0.25232%0.324SS..Hα-helixtrans-54.2-38.4171.9-179.864.5-177.4174.80112.1F126 P132 Y364 D365F126-K361 HydrophobicContact CB-CD 4.23Å; F126-K361 HydrophobicContact CD1-CB 4.2Å; F126-K361 HydrophobicContact CD1-CD 3.55Å; F126-K361 HydrophobicContact CD1-CG 4.49Å; F126-K361 VanDerWaalsContact CE1-CA 3.5Å; F126-K361 HydrophobicContact CE1-CB 4.03Å; F126-K361 HydrophobicContact CE1-CD 4.23Å; F126-K361 HydrophobicContact CG-CD 4.21Å; F126-K361 PolarHBondContact O-NZ 3.48Å; P132-K361 PolarHBondContact O-N 3.18Å; K361-Y364 WeakPolarHBondContact O-CB 3.5Å; K361-Y364 PolarHBondContact O-N 3.47Å; K361-D365 VanDerWaalsContact CE-OD1 3.25Å; K361-D365 WeakPolarHBondContact CE-OD1 3.04Å; K361-D365 IonicContact NZ-OD1 3.35Å; K361-D365 PolarHBondContact NZ-OD1 2.82Å; K361-D365 VanDerWaalsContact O-CG 3.23Å; K361-D365 PolarHBondContact O-N 2.74Å
362Q97.7Very high95.6Very high133 Ų13356.1 Ų56.162%0.62131%0.305SS*.Hα-helixtrans-62.4-49.1176.1-176.4-176.3-9.200112.2S360 Y364 D365 E366S360-Q362 PolarHBondContact O-N 3.11Å; Q362-Y364 PolarHBondContact O-N 2.84Å; Q362-D365 PolarHBondContact O-N 3.47Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.48Å; Q362-E366 PolarHBondContact NE2-OE1 2.96Å; Q362-E366 WeakPolarHBondContact O-CG 3.36Å; Q362-E366 PolarHBondContact O-N 3.3Å
363E98Very high95.9Very high51 Ų5153.4 Ų53.424%0.23828%0.282CS..Hα-helixtrans-61.4-35.6177.7-73.4167.7125.600111.7I359 S360 A367 I371 K375I359-E363 HydrophobicContact CG2-CB 4.43Å; S360-E363 PolarHBondContact N-OE2 3.17Å; S360-E363 PolarHBondContact O-N 3.47Å; S360-E363 VanDerWaalsContact O-N 3.16Å; S360-E363 VanDerWaalsContact OG-CG 3.3Å; S360-E363 WeakPolarHBondContact OG-CG 3.38Å; S360-E363 PolarHBondContact OG-N 2.94Å; S360-E363 PolarHBondContact OG-OE2 3.26Å; E363-A367 WeakPolarHBondContact O-CB 3.2Å; E363-A367 PolarHBondContact O-N 3.03Å; E363-I371 HydrophobicContact CB-CG1 4.4Å; E363-K375 WeakPolarHBondContact OE1-CE 3.35Å; E363-K375 IonicContact OE1-NZ 2.74Å; E363-K375 PolarHBondContact OE1-NZ 3.16Å; E363-K375 IonicContact OE2-NZ 3.75Å
364Y98.3Very high96.2Very high9 Ų957.1 Ų57.14%0.03529%0.286CS..Hα-helixtrans-64.3-48.4172.7173.6-97.4000112.4T122 F126 E127 S360 K361 Q362 E366 A367 G368 P369T122-Y364 HydrophobicContact CG2-CD2 3.71Å; T122-Y364 HydrophobicContact CG2-CE2 3.91Å; F126-Y364 HydrophobicContact CB-CD1 3.62Å; F126-Y364 HydrophobicContact CB-CD2 4.3Å; F126-Y364 HydrophobicContact CB-CE1 3.71Å; F126-Y364 HydrophobicContact CB-CE2 4.35Å; F126-Y364 HydrophobicContact CB-CG 3.93Å; F126-Y364 HydrophobicContact CD1-CG 4.48Å; F126-Y364 AromaticContact CD2-CD1 3.94Å; F126-Y364 HydrophobicContact CD2-CD1 3.94Å; F126-Y364 AromaticContact CD2-CD2 3.34Å; F126-Y364 HydrophobicContact CD2-CD2 3.34Å; F126-Y364 AromaticContact CD2-CE2 3.97Å; F126-Y364 HydrophobicContact CD2-CE2 3.97Å; F126-Y364 AromaticContact CD2-CG 3.3Å; F126-Y364 HydrophobicContact CD2-CG 3.3Å; F126-Y364 AromaticContact CE2-CD2 3.88Å; F126-Y364 HydrophobicContact CE2-CD2 3.88Å; F126-Y364 AromaticContact CE2-CG 3.8Å; F126-Y364 HydrophobicContact CE2-CG 3.8Å; F126-Y364 AromaticContact CG-CD1 3.84Å; F126-Y364 HydrophobicContact CG-CD1 3.84Å; F126-Y364 HydrophobicContact CG-CD2 4.09Å; F126-Y364 HydrophobicContact CG-CE1 4.38Å; F126-Y364 AromaticContact CG-CG 3.67Å; F126-Y364 HydrophobicContact CG-CG 3.67Å; E127-Y364 VanDerWaalsContact CD-OH 3.31Å; E127-Y364 HydrophobicContact CG-CE1 4.09Å; E127-Y364 PolarHBondContact OE1-OH 2.94Å; S360-Y364 PolarHBondContact O-N 3.15Å; K361-Y364 WeakPolarHBondContact O-CB 3.5Å; K361-Y364 PolarHBondContact O-N 3.47Å; Q362-Y364 PolarHBondContact O-N 2.84Å; Y364-E366 PolarHBondContact O-N 3.37Å; Y364-A367 PolarHBondContact O-N 2.94Å; Y364-G368 WeakPolarHBondContact O-CA 3.12Å; Y364-G368 PolarHBondContact O-N 2.59Å; Y364-P369 HydrophobicContact CE2-CB 4.38Å; Y364-P369 HydrophobicContact CE2-CG 3.92Å
365D98.2Very high96.3Very high106 Ų10659 Ų5957%0.56729%0.294SS*.Hα-helixtrans-63.8-29.2-178.6-66.9-22.5000111.6K361 Q362K361-D365 VanDerWaalsContact CE-OD1 3.25Å; K361-D365 WeakPolarHBondContact CE-OD1 3.04Å; K361-D365 IonicContact NZ-OD1 3.35Å; K361-D365 PolarHBondContact NZ-OD1 2.82Å; K361-D365 VanDerWaalsContact O-CG 3.23Å; K361-D365 PolarHBondContact O-N 2.74Å; Q362-D365 PolarHBondContact O-N 3.47Å
366E97.8Very high96.6Very high143 Ų14355.4 Ų55.467%0.66828%0.277SS*.Hα-helixtrans-79.9-41.1177.1-70.7176.4-165.800114Q362 Y364Q362-E366 WeakPolarHBondContact CG-OE1 3.48Å; Q362-E366 PolarHBondContact NE2-OE1 2.96Å; Q362-E366 WeakPolarHBondContact O-CG 3.36Å; Q362-E366 PolarHBondContact O-N 3.3Å; Y364-E366 PolarHBondContact O-N 3.37Å
367A97.5Very high96.3Very high34 Ų3456.3 Ų56.328%0.28128%0.279SS..Hα-helixtrans-109.6-9.5-171.500000114.7E363 Y364 S370 I371E363-A367 WeakPolarHBondContact O-CB 3.2Å; E363-A367 PolarHBondContact O-N 3.03Å; Y364-A367 PolarHBondContact O-N 2.94Å; A367-S370 PolarHBondContact O-OG 2.73Å; A367-I371 HydrophobicContact CB-CB 4Å; A367-I371 HydrophobicContact CB-CD1 4.05Å; A367-I371 HydrophobicContact CB-CG1 4.35Å
368G97.8Very high96.4Very high21 Ų2155.7 Ų55.722%0.21628%0.277CS..  trans65.1-168.3-17300000113.7Y364 S370 I371Y364-G368 WeakPolarHBondContact O-CA 3.12Å; Y364-G368 PolarHBondContact O-N 2.59Å; G368-S370 PolarHBondContact O-N 3.35Å; G368-I371 WeakPolarHBondContact O-CB 2.99Å; G368-I371 WeakPolarHBondContact O-CG2 3.22Å; G368-I371 PolarHBondContact O-N 3.19Å
369P97.5Very high96.3Very high37 Ų3757.8 Ų57.824%0.2429%0.288CS..G310 helixtrans-55.2-27.6-176.2-28.234.7000115.5E119 Q123 Y364 I371 V372E119-P369 HydrophobicContact CB-CB 3.74Å; E119-P369 HydrophobicContact CG-CB 4.08Å; Q123-P369 HydrophobicContact CB-CG 4.17Å; Y364-P369 HydrophobicContact CE2-CB 4.38Å; Y364-P369 HydrophobicContact CE2-CG 3.92Å; P369-I371 PolarHBondContact O-N 3.48Å; P369-I371 VanDerWaalsContact O-N 3.11Å; P369-V372 WeakPolarHBondContact O-CG1 3.44Å; P369-V372 PolarHBondContact O-N 3.26Å
370S97.6Very high96.2Very high44 Ų4461.1 Ų61.131%0.30830%0.304SS..G310 helixtrans-64.7-14.7-177.875.40000114.4A367 G368 V372 H373A367-S370 PolarHBondContact O-OG 2.73Å; G368-S370 PolarHBondContact O-N 3.35Å; S370-V372 PolarHBondContact O-N 3.18Å; S370-V372 VanDerWaalsContact O-N 3.17Å; S370-H373 PolarHBondContact O-CD2 3.2Å; S370-H373 PolarHBondContact O-N 3.33Å; S370-H373 VanDerWaalsContact O-N 3.15Å
371I97.9Very high96.2Very high12 Ų1262.4 Ų62.46%0.06231%0.306CS..G310 helixtrans-55.9-30.4177.3-170.557.4000112.7T122 I359 E363 A367 G368 P369 H373 R374 K375T122-I371 HydrophobicContact CG2-CG2 4.36Å; I359-I371 HydrophobicContact CD1-CG2 4.34Å; I359-I371 HydrophobicContact CG2-CB 4.49Å; I359-I371 HydrophobicContact CG2-CG1 3.98Å; I359-I371 HydrophobicContact CG2-CG2 3.63Å; E363-I371 HydrophobicContact CB-CG1 4.4Å; A367-I371 HydrophobicContact CB-CB 4Å; A367-I371 HydrophobicContact CB-CD1 4.05Å; A367-I371 HydrophobicContact CB-CG1 4.35Å; G368-I371 WeakPolarHBondContact O-CB 2.99Å; G368-I371 WeakPolarHBondContact O-CG2 3.22Å; G368-I371 PolarHBondContact O-N 3.19Å; P369-I371 PolarHBondContact O-N 3.48Å; P369-I371 VanDerWaalsContact O-N 3.11Å; I371-H373 PolarHBondContact O-N 3.03Å; I371-R374 HydrophobicContact CD1-CB 4.43Å; I371-R374 WeakPolarHBondContact O-CB 3.3Å; I371-R374 PolarHBondContact O-N 2.9Å; I371-K375 HydrophobicContact CD1-CG 4.46Å; I371-K375 PolarHBondContact O-N 3.39Å
372V97.8Very high96.1Very high0 Ų062.6 Ų62.60%031%0.309CS..Hα-helixtrans-56.6-34.4178.971.50000112.7R118 E119 T122 V136 I359 P369 S370 R374 K375 C376R118-V372 HydrophobicContact CB-CG1 3.73Å; R118-V372 HydrophobicContact CB-CG2 4.22Å; E119-V372 HydrophobicContact CG-CG1 4.37Å; T122-V372 WeakPolarHBondContact OG1-CB 3.25Å; V136-V372 HydrophobicContact CB-CG2 4.36Å; V136-V372 HydrophobicContact CG2-CG2 4.02Å; I359-V372 HydrophobicContact CD1-CB 4.2Å; I359-V372 HydrophobicContact CD1-CG2 4.28Å; P369-V372 WeakPolarHBondContact O-CG1 3.44Å; P369-V372 PolarHBondContact O-N 3.26Å; S370-V372 PolarHBondContact O-N 3.18Å; S370-V372 VanDerWaalsContact O-N 3.17Å; V372-R374 PolarHBondContact O-N 3.02Å; V372-K375 PolarHBondContact O-N 3.25Å; V372-C376 HydrophobicContact CG2-CB 4.04Å; V372-C376 WeakPolarHBondContact O-CB 3.16Å; V372-C376 PolarHBondContact O-N 3.33Å
373H96.4Very high95.9Very high41 Ų4157.9 Ų57.919%0.1929%0.289CS..Hα-helixtrans-74.5-13179.5-53.7-52.4000113.7K115 E119 S370 I371K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.5Å; K115-H373 PolarHBondContact O-CE1 3.06Å; E119-H373 WeakPolarHBondContact CG-NE2 3.5Å; E119-H373 IonicContact OE1-CD2 3.48Å; E119-H373 PolarHBondContact OE1-CD2 3.12Å; E119-H373 IonicContact OE1-CE1 3.69Å; E119-H373 IonicContact OE1-NE2 2.87Å; E119-H373 PolarHBondContact OE1-NE2 2.99Å; S370-H373 PolarHBondContact O-CD2 3.2Å; S370-H373 PolarHBondContact O-N 3.33Å; S370-H373 VanDerWaalsContact O-N 3.15Å; I371-H373 PolarHBondContact O-N 3.03Å
374R94.1Very high95.8Very high166 Ų16658.4 Ų58.463%0.62629%0.292SS*.Hα-helixtrans-98.2-18.7179.2-59.5-176.7-174.6169.53.6113.1I371 V372 F377I371-R374 HydrophobicContact CD1-CB 4.43Å; I371-R374 WeakPolarHBondContact O-CB 3.3Å; I371-R374 PolarHBondContact O-N 2.9Å; V372-R374 PolarHBondContact O-N 3.02Å; R374-F377 WeakPolarHBondContact O-CE2 3.41Å; R374-F377 WeakPolarHBondContact O-CZ 3.48Å
375K93.9Very high95.6Very high46 Ų4662.2 Ų62.220%0.231%0.312CS..Hα-helixtrans-117.6-31.9-172.6-75.6-84.3-160.5146.50113.2Y135 W358 I359 E363 I371 V372Y135-K375 WeakPolarHBondContact CE2-O 3.37Å; W358-K375 PolarHBondContact O-NZ 3.4Å; I359-K375 HydrophobicContact CD1-CB 4.12Å; I359-K375 HydrophobicContact CG1-CB 3.72Å; I359-K375 HydrophobicContact CG1-CG 4.06Å; E363-K375 WeakPolarHBondContact OE1-CE 3.35Å; E363-K375 IonicContact OE1-NZ 2.74Å; E363-K375 PolarHBondContact OE1-NZ 3.16Å; E363-K375 IonicContact OE2-NZ 3.75Å; I371-K375 HydrophobicContact CD1-CG 4.46Å; I371-K375 PolarHBondContact O-N 3.39Å; V372-K375 PolarHBondContact O-N 3.25Å
376C93.1Very high95.4Very high0 Ų058.6 Ų58.60%029%0.291CS..  trans-106.9100.9-178.6-580000109.4R118 Y135 V136 V372R118-C376 VanDerWaalsContact CZ-O 3.29Å; R118-C376 PolarHBondContact NH1-O 2.66Å; R118-C376 PolarHBondContact NH2-O 2.83Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.42Å; Y135-C376 HydrophobicContact CE2-CB 4.32Å; Y135-C376 VanDerWaalsContact CE2-SG 3.53Å; V136-C376 HydrophobicContact CB-CB 4.39Å; V136-C376 PolarHBondContact N-SG 2.81Å; V136-C376 VanDerWaalsContact O-CB 3.31Å; V136-C376 WeakPolarHBondContact O-CB 3.46Å; V372-C376 HydrophobicContact CG2-CB 4.04Å; V372-C376 WeakPolarHBondContact O-CB 3.16Å; V372-C376 PolarHBondContact O-N 3.33Å
377F83.4Confident95.2Very high159 Ų15950.9 Ų50.970%0.69726%0.256SS*.  trans-102.10-176.9-64.4-72.4000112.9R374R374-F377 WeakPolarHBondContact O-CE2 3.41Å; R374-F377 WeakPolarHBondContact O-CZ 3.48Å

Retrieved 377 of 377 residues in 2015.7 ms (Link to these results)

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