A0A077ZFA3_TRITR Loading...

Radical SAM domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFA3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 301 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
1M92.4Very high93.5Very high104 Ų10457.5 Ų57.551%0.51234%0.335SS..  01450-68.4-58-75.100111.6G3 G4 D5 Y250 I253M1-G3 PolarHBondContact O-N 3.12Å; M1-G4 PolarHBondContact O-N 2.72Å; M1-D5 PolarHBondContact O-N 2.81Å; M1-Y250 WeakPolarHBondContact CA-O 3.41Å; M1-I253 HydrophobicContact CE-CG1 4.01Å; M1-I253 HydrophobicContact CE-CG2 4.18Å; M1-I253 HydrophobicContact SD-CG1 4.42Å; M1-I253 HydrophobicContact SD-CG2 3.98Å
2F95.2Very high93.5Very high9 Ų958.4 Ų58.44%0.03933%0.333CS..Hα-helixtrans-57.1-38.5-173.8-173.7-115.1000115.5G4 D5 L6 K16 L73 W133 I249 Y250 H251F2-G4 VanDerWaalsContact C-N 3.3Å; F2-G4 PolarHBondContact O-N 3.17Å; F2-D5 WeakPolarHBondContact O-CB 3.48Å; F2-D5 PolarHBondContact O-N 3.09Å; F2-L6 HydrophobicContact CD1-CD1 3.66Å; F2-L6 HydrophobicContact CD1-CG 4.35Å; F2-L6 HydrophobicContact CD2-CG 4.4Å; F2-L6 HydrophobicContact CE1-CD1 3.19Å; F2-L6 HydrophobicContact CE1-CG 3.98Å; F2-L6 HydrophobicContact CE2-CD1 4.18Å; F2-L6 HydrophobicContact CE2-CD2 4.29Å; F2-L6 HydrophobicContact CE2-CG 4.07Å; F2-L6 HydrophobicContact CG-CD1 4.31Å; F2-L6 HydrophobicContact CZ-CD1 3.53Å; F2-L6 HydrophobicContact CZ-CD2 4.02Å; F2-L6 HydrophobicContact CZ-CG 3.86Å; F2-L6 WeakPolarHBondContact O-CG 3.5Å; F2-L6 PolarHBondContact O-N 3.35Å; F2-K16 HydrophobicContact CE1-CD 4.19Å; F2-K16 HydrophobicContact CE1-CG 4.24Å; F2-L73 HydrophobicContact CE1-CD1 3.75Å; F2-L73 HydrophobicContact CZ-CD1 3.73Å; F2-W133 HydrophobicContact CD2-CZ2 4.31Å; F2-W133 AromaticContact CE2-CE2 3.63Å; F2-W133 AromaticContact CE2-CZ2 3.66Å; F2-W133 HydrophobicContact CE2-CZ2 3.66Å; F2-W133 AromaticContact CE2-NE1 3.54Å; F2-W133 AromaticContact CZ-NE1 3.67Å; F2-I249 HydrophobicContact CB-CG2 3.85Å; F2-I249 HydrophobicContact CD2-CG2 3.94Å; F2-I249 HydrophobicContact CG-CG2 4.42Å; F2-Y250 PolarHBondContact N-O 3Å; F2-H251 HydrophobicContact CB-CB 4.49Å; F2-H251 AromaticContact CD2-CD2 3.46Å; F2-H251 VanDerWaalsContact CD2-CD2 3.46Å; F2-H251 WeakPolarHBondContact CD2-CD2 3.23Å; F2-H251 AromaticContact CD2-NE2 3.31Å; F2-H251 VanDerWaalsContact CD2-NE2 3.31Å; F2-H251 WeakPolarHBondContact CD2-NE2 3.38Å; F2-H251 AromaticContact CE2-NE2 3.44Å; F2-H251 WeakPolarHBondContact CE2-NE2 3.27Å; F2-H251 AromaticContact CG-CD2 3.54Å; F2-H251 AromaticContact CG-NE2 3.81Å
3G93.3Very high93.5Very high40 Ų4064.7 Ų64.741%0.41236%0.355SS..Hα-helixtrans-62.2-37.417500000113M1 T7M1-G3 PolarHBondContact O-N 3.12Å; G3-T7 WeakPolarHBondContact O-CB 3.42Å; G3-T7 PolarHBondContact O-N 3.06Å; G3-T7 PolarHBondContact O-OG1 2.82Å
4G92.8Very high93.5Very high43 Ų4360.9 Ų60.944%0.44333%0.334SS..Hα-helixtrans-70.4-41174.300000112.2M1 F2 T7 R8M1-G4 PolarHBondContact O-N 2.72Å; F2-G4 VanDerWaalsContact C-N 3.3Å; F2-G4 PolarHBondContact O-N 3.17Å; G4-T7 PolarHBondContact O-N 3.27Å; G4-R8 PolarHBondContact O-N 3.23Å
5D94.5Very high93.6Very high17 Ų1762.3 Ų62.39%0.09134%0.337CS..Hα-helixtrans-57.9-50.7173.7177.771.8000112.4M1 F2 T7 R8 R9 I249M1-D5 PolarHBondContact O-N 2.81Å; F2-D5 WeakPolarHBondContact O-CB 3.48Å; F2-D5 PolarHBondContact O-N 3.09Å; D5-T7 VanDerWaalsContact C-N 3.35Å; D5-T7 PolarHBondContact O-N 3.38Å; D5-R8 PolarHBondContact O-N 3.15Å; D5-R8 IonicContact OD1-CZ 3.3Å; D5-R8 IonicContact OD1-NH2 2.83Å; D5-R8 PolarHBondContact OD1-NH2 3.04Å; D5-R9 PolarHBondContact O-N 3Å; D5-R9 IonicContact OD1-NE 3.6Å; D5-R9 IonicContact OD2-CZ 2.73Å; D5-R9 VanDerWaalsContact OD2-CZ 3.26Å; D5-R9 IonicContact OD2-NE 3.43Å; D5-R9 PolarHBondContact OD2-NE 3.13Å; D5-R9 IonicContact OD2-NH2 3.76Å; D5-R9 PolarHBondContact OD2-NH2 3.38Å; D5-I249 HydrophobicContact CB-CD1 4.26Å; D5-I249 HydrophobicContact CB-CG2 4.33Å
6L94.6Very high93.6Very high2 Ų260.8 Ų60.81%0.0133%0.327CS..Hα-helixtrans-62.6-42.3177.5-73.6171.6000112F2 R8 R9 Y10 V14 L73F2-L6 HydrophobicContact CD1-CD1 3.66Å; F2-L6 HydrophobicContact CD1-CG 4.35Å; F2-L6 HydrophobicContact CD2-CG 4.4Å; F2-L6 HydrophobicContact CE1-CD1 3.19Å; F2-L6 HydrophobicContact CE1-CG 3.98Å; F2-L6 HydrophobicContact CE2-CD1 4.18Å; F2-L6 HydrophobicContact CE2-CD2 4.29Å; F2-L6 HydrophobicContact CE2-CG 4.07Å; F2-L6 HydrophobicContact CG-CD1 4.31Å; F2-L6 HydrophobicContact CZ-CD1 3.53Å; F2-L6 HydrophobicContact CZ-CD2 4.02Å; F2-L6 HydrophobicContact CZ-CG 3.86Å; F2-L6 WeakPolarHBondContact O-CG 3.5Å; F2-L6 PolarHBondContact O-N 3.35Å; L6-R8 VanDerWaalsContact C-N 3.26Å; L6-R8 PolarHBondContact O-N 3.24Å; L6-R9 VanDerWaalsContact CD2-NH2 3.32Å; L6-R9 PolarHBondContact O-N 3.38Å; L6-Y10 HydrophobicContact CB-CD2 4.48Å; L6-Y10 HydrophobicContact CD2-CD2 3.98Å; L6-Y10 HydrophobicContact CD2-CE2 3.68Å; L6-Y10 WeakPolarHBondContact O-CB 3.47Å; L6-Y10 WeakPolarHBondContact O-CD2 3.39Å; L6-Y10 PolarHBondContact O-N 3.39Å; L6-V14 HydrophobicContact CB-CB 4.02Å; L6-V14 HydrophobicContact CB-CG2 4.32Å; L6-V14 HydrophobicContact CD1-CB 4.01Å; L6-V14 HydrophobicContact CD1-CG1 4.1Å; L6-V14 HydrophobicContact CG-CB 4.48Å; L6-L73 HydrophobicContact CD1-CD1 3.88Å; L6-L73 HydrophobicContact CD2-CD1 4.39Å
7T93.7Very high93.6Very high52 Ų5257.4 Ų57.432%0.31931%0.308SS..Hα-helixtrans-59.5-41.1178.9-59.50000111.1G3 G4 D5 G11 Q12G3-T7 WeakPolarHBondContact O-CB 3.42Å; G3-T7 PolarHBondContact O-N 3.06Å; G3-T7 PolarHBondContact O-OG1 2.82Å; G4-T7 PolarHBondContact O-N 3.27Å; D5-T7 VanDerWaalsContact C-N 3.35Å; D5-T7 PolarHBondContact O-N 3.38Å; T7-G11 CarbonylContact O-C 3.45Å; T7-G11 WeakPolarHBondContact O-CA 3.29Å; T7-G11 PolarHBondContact O-N 3.12Å; T7-Q12 WeakPolarHBondContact CA-O 3.43Å; T7-Q12 PolarHBondContact O-N 2.81Å
8R92.6Very high93.7Very high130 Ų13056.7 Ų56.749%0.49131%0.306SS..Hα-helixtrans-64.4-47.7176-173.5176.968.2-104.6-5.8112G4 D5 L6G4-R8 PolarHBondContact O-N 3.23Å; D5-R8 PolarHBondContact O-N 3.15Å; D5-R8 IonicContact OD1-CZ 3.3Å; D5-R8 IonicContact OD1-NH2 2.83Å; D5-R8 PolarHBondContact OD1-NH2 3.04Å; L6-R8 VanDerWaalsContact C-N 3.26Å; L6-R8 PolarHBondContact O-N 3.24Å
9R93.1Very high93.7Very high98 Ų9853.9 Ų53.937%0.3729%0.291SS..Hα-helixtrans-71.5-33.3-176.8-69.8-171.7-67.3124-12.2114D5 L6 E131D5-R9 PolarHBondContact O-N 3Å; D5-R9 IonicContact OD1-NE 3.6Å; D5-R9 IonicContact OD2-CZ 2.73Å; D5-R9 VanDerWaalsContact OD2-CZ 3.26Å; D5-R9 IonicContact OD2-NE 3.43Å; D5-R9 PolarHBondContact OD2-NE 3.13Å; D5-R9 IonicContact OD2-NH2 3.76Å; D5-R9 PolarHBondContact OD2-NH2 3.38Å; L6-R9 VanDerWaalsContact CD2-NH2 3.32Å; L6-R9 PolarHBondContact O-N 3.38Å; R9-E131 IonicContact CZ-OE1 3.66Å; R9-E131 IonicContact CZ-OE2 3.66Å; R9-E131 VanDerWaalsContact NH1-CD 3.32Å; R9-E131 IonicContact NH1-OE1 3.81Å; R9-E131 PolarHBondContact NH1-OE1 3.33Å; R9-E131 IonicContact NH1-OE2 2.78Å; R9-E131 PolarHBondContact NH1-OE2 2.96Å; R9-E131 IonicContact NH2-OE1 2.71Å; R9-E131 PolarHBondContact NH2-OE1 2.91Å; R9-E131 IonicContact NH2-OE2 3.6Å
10Y93.4Very high93.7Very high67 Ų6751.3 Ų51.326%0.26328%0.277SS..Hα-helixtrans-98.8-4.8-177.7-75.5-86.3000113.8L6 Q12 V14 V103 E131L6-Y10 HydrophobicContact CB-CD2 4.48Å; L6-Y10 HydrophobicContact CD2-CD2 3.98Å; L6-Y10 HydrophobicContact CD2-CE2 3.68Å; L6-Y10 WeakPolarHBondContact O-CB 3.47Å; L6-Y10 WeakPolarHBondContact O-CD2 3.39Å; L6-Y10 PolarHBondContact O-N 3.39Å; Y10-Q12 PolarHBondContact O-N 3.22Å; Y10-Q12 VanDerWaalsContact O-N 3.08Å; Y10-V14 HydrophobicContact CD1-CG2 4.38Å; Y10-V14 HydrophobicContact CD2-CG2 3.71Å; Y10-V14 HydrophobicContact CE2-CG2 4.39Å; Y10-V14 HydrophobicContact CG-CG2 3.69Å; Y10-V103 HydrophobicContact CD1-CG1 4.42Å; Y10-V103 HydrophobicContact CE1-CB 3.72Å; Y10-V103 HydrophobicContact CE1-CG1 3.97Å; Y10-V103 HydrophobicContact CE1-CG2 3.9Å; Y10-V103 HydrophobicContact CE2-CG2 4.42Å; Y10-E131 VanDerWaalsContact OH-CB 3.3Å; Y10-E131 WeakPolarHBondContact OH-CB 3.3Å
11G93.2Very high93.7Very high71 Ų7149.2 Ų49.273%0.73227%0.268SS*.SBendtrans648.2-174.200000114.3T7T7-G11 CarbonylContact O-C 3.45Å; T7-G11 WeakPolarHBondContact O-CA 3.29Å; T7-G11 PolarHBondContact O-N 3.12Å
12Q92.7Very high93.6Very high68 Ų6846.2 Ų46.232%0.31826%0.263SS..SBendtrans-158.3158.5-178.266.6-169.3-29.300110.6T7 Y10 V14 R71T7-Q12 WeakPolarHBondContact CA-O 3.43Å; T7-Q12 PolarHBondContact O-N 2.81Å; Y10-Q12 PolarHBondContact O-N 3.22Å; Y10-Q12 VanDerWaalsContact O-N 3.08Å; Q12-V14 PolarHBondContact O-N 2.87Å; Q12-R71 HydrophobicContact CG-CG 4.39Å
13K93.4Very high93.5Very high140 Ų14046.4 Ų46.461%0.60926%0.264SS*.  trans-61.7128.2178-67.8-176.7-178.9175.30110.9A69K13-A69 HydrophobicContact CB-CB 4.38Å; K13-A69 WeakPolarHBondContact O-CB 3.29Å
14V94.7Very high93.5Very high11 Ų1146.8 Ų46.87%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-114.4134.5170.4-177.40000108.6L6 Y10 Q12 R71 L73 V103L6-V14 HydrophobicContact CB-CB 4.02Å; L6-V14 HydrophobicContact CB-CG2 4.32Å; L6-V14 HydrophobicContact CD1-CB 4.01Å; L6-V14 HydrophobicContact CD1-CG1 4.1Å; L6-V14 HydrophobicContact CG-CB 4.48Å; Y10-V14 HydrophobicContact CD1-CG2 4.38Å; Y10-V14 HydrophobicContact CD2-CG2 3.71Å; Y10-V14 HydrophobicContact CE2-CG2 4.39Å; Y10-V14 HydrophobicContact CG-CG2 3.69Å; Q12-V14 PolarHBondContact O-N 2.87Å; V14-R71 VanDerWaalsContact CA-O 3.31Å; V14-R71 WeakPolarHBondContact CA-O 3.48Å; V14-R71 HydrophobicContact CG2-CB 4.07Å; V14-L73 HydrophobicContact CG1-CG 4.03Å; V14-V103 HydrophobicContact CG1-CG2 3.73Å; V14-V103 HydrophobicContact CG2-CG2 4.47Å
15H93.8Very high93.6Very high83 Ų8345.3 Ų45.338%0.38424%0.243SC..EExtended strand (participates in β ladder)trans-120.2143.8-179.8-160.181.8000112.5V66 A69 R71 Y72 L73H15-V66 HydrophobicContact CB-CG1 4.2Å; H15-A69 HydrophobicContact CB-CB 3.86Å; H15-R71 PolarHBondContact N-O 3.15Å; H15-R71 VanDerWaalsContact N-O 3.13Å; H15-Y72 HydrophobicContact CB-CD1 4.03Å; H15-Y72 HydrophobicContact CB-CE1 4.46Å; H15-Y72 CarbonylContact O-C 3.3Å; H15-Y72 WeakPolarHBondContact O-CA 3.41Å; H15-Y72 WeakPolarHBondContact O-CB 3.48Å; H15-L73 PolarHBondContact O-N 2.64Å
16K94.6Very high93.6Very high38 Ų3844.5 Ų44.517%0.16524%0.239CC..EExtended strand (participates in β ladder)trans-81.6123.3172.5-65.9-163.3-175.9-1670109.8F2 L73 Y75 C106 H251F2-K16 HydrophobicContact CE1-CD 4.19Å; F2-K16 HydrophobicContact CE1-CG 4.24Å; K16-L73 WeakPolarHBondContact CA-O 3.3Å; K16-L73 HydrophobicContact CG-CB 4.19Å; K16-L73 HydrophobicContact CG-CD1 4.13Å; K16-Y75 HydrophobicContact CB-CD1 4.5Å; K16-Y75 HydrophobicContact CD-CD1 4.28Å; K16-Y75 HydrophobicContact CD-CG 4.37Å; K16-C106 VanDerWaalsContact CE-SG 3.52Å; K16-C106 PolarHBondContact NZ-SG 3.19Å; K16-C106 VanDerWaalsContact NZ-SG 3.37Å; K16-H251 PolarHBondContact NZ-CE1 3.33Å; K16-H251 PolarHBondContact NZ-ND1 2.88Å
17L94.1Very high93.5Very high2 Ų244.5 Ų44.51%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-99.4114.9173.4-58.6-179.8000108.8L59 Q62 A63 V66 Y72 L73 Y75L17-L59 HydrophobicContact CB-CD2 3.98Å; L17-L59 HydrophobicContact CD1-CD2 3.93Å; L17-Q62 HydrophobicContact CB-CB 3.99Å; L17-Q62 HydrophobicContact CD1-CB 4.4Å; L17-Q62 HydrophobicContact CD2-CB 3.86Å; L17-Q62 HydrophobicContact CG-CB 4.27Å; L17-A63 HydrophobicContact CD1-CB 4.02Å; L17-V66 HydrophobicContact CD2-CG2 4.07Å; L17-Y72 HydrophobicContact CD1-CD1 3.63Å; L17-Y72 HydrophobicContact CD1-CD2 4.1Å; L17-Y72 HydrophobicContact CD1-CE1 4.22Å; L17-Y72 HydrophobicContact CD1-CG 3.56Å; L17-Y72 HydrophobicContact CD2-CD1 3.68Å; L17-Y72 HydrophobicContact CD2-CE1 4.05Å; L17-Y72 HydrophobicContact CD2-CG 4.44Å; L17-Y72 HydrophobicContact CG-CD1 3.65Å; L17-Y72 HydrophobicContact CG-CE1 4.41Å; L17-Y72 HydrophobicContact CG-CG 3.93Å; L17-L73 PolarHBondContact N-O 3.01Å; L17-Y75 WeakPolarHBondContact O-CA 3.17Å; L17-Y75 WeakPolarHBondContact O-CB 3.44Å; L17-Y75 PolarHBondContact O-N 3.28Å
18T93.9Very high93.5Very high45 Ų4546.8 Ų46.828%0.27624%0.242SC..EExtended strand (participates in β ladder)trans-71133.1-17953.40000110.7Y75T18-Y75 CarbonylContact C-O 3.5Å; T18-Y75 WeakPolarHBondContact CA-O 3.42Å; T18-Y75 HydrophobicContact CG2-CD1 3.92Å; T18-Y75 HydrophobicContact CG2-CE1 4.41Å
19L94.7Very high93.4Very high4 Ų444.1 Ų44.12%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-123.8148.4-179.4-61.5175.3000110.8I55 Q58 L59 A74 Y75 F76 Q77 A96L19-I55 HydrophobicContact CD1-CG2 4.08Å; L19-Q58 HydrophobicContact CD2-CB 3.53Å; L19-L59 HydrophobicContact CD1-CD2 4.01Å; L19-L59 HydrophobicContact CD1-CG 4.28Å; L19-L59 HydrophobicContact CD2-CD2 3.8Å; L19-L59 HydrophobicContact CD2-CG 3.85Å; L19-L59 HydrophobicContact CG-CD2 4.21Å; L19-A74 HydrophobicContact CD1-CB 3.86Å; L19-Y75 PolarHBondContact N-O 3.31Å; L19-F76 HydrophobicContact CB-CD1 4.38Å; L19-F76 HydrophobicContact CD1-CD2 4.11Å; L19-F76 HydrophobicContact CD1-CE1 4.28Å; L19-F76 HydrophobicContact CD1-CE2 3.71Å; L19-F76 HydrophobicContact CD1-CZ 3.81Å; L19-Q77 PolarHBondContact O-N 3.45Å; L19-A96 HydrophobicContact CD1-CB 4.49Å
20H93.8Very high93.3Very high1 Ų141.2 Ų41.21%0.00524%0.238CC..  trans-114.899.3172.3-165.9-53.1000109.5G22 E48 Q50 Q51 Q58 A78 Y79H20-G22 PolarHBondContact ND1-N 2.63Å; H20-G22 VanDerWaalsContact ND1-N 3.11Å; H20-G22 PolarHBondContact O-N 3.06Å; H20-E48 IonicContact NE2-OE2 2.79Å; H20-Q50 HydrophobicContact CB-CB 3.96Å; H20-Q51 HydrophobicContact CB-CB 4.48Å; H20-Q51 VanDerWaalsContact CE1-CB 3.44Å; H20-Q51 WeakPolarHBondContact CE1-CB 3.49Å; H20-Q51 WeakPolarHBondContact ND1-CB 3.43Å; H20-Q58 PolarHBondContact O-NE2 3.38Å; H20-Q58 PolarHBondContact O-OE1 2.89Å; H20-A78 HydrophobicContact CB-CB 4.16Å; H20-A78 WeakPolarHBondContact CD2-CB 3.35Å; H20-Y79 AromaticContact CE1-CD2 3.88Å; H20-Y79 AromaticContact CE1-CE2 3.84Å; H20-Y79 AromaticContact NE2-CD2 3.72Å; H20-Y79 AromaticContact NE2-CE2 3.41Å; H20-Y79 WeakPolarHBondContact NE2-CE2 3.46Å
21G92.4Very high93.3Very high9 Ų942.6 Ų42.69%0.09325%0.254CS..  trans-76-1-178.400000115.4F23 M92G21-F23 VanDerWaalsContact C-N 3.29Å; G21-M92 VanDerWaalsContact O-CE 3.32Å; G21-M92 WeakPolarHBondContact O-CE 3.04Å
22G92.1Very high93.1Very high40 Ų4043.1 Ų43.141%0.41224%0.239SC..  trans7815.9-178.100000113.4H20H20-G22 PolarHBondContact ND1-N 2.63Å; H20-G22 VanDerWaalsContact ND1-N 3.11Å; H20-G22 PolarHBondContact O-N 3.06Å
23F92.9Very high93Very high14 Ų1440.6 Ų40.66%0.06123%0.231CC..  trans-74.9158.6177.9-54.1-65.1000112.4G21 F76 Y79 S81 A84 L89 M92G21-F23 VanDerWaalsContact C-N 3.29Å; F23-F76 HydrophobicContact CE2-CD1 4.08Å; F23-Y79 WeakPolarHBondContact O-CB 3.38Å; F23-Y79 WeakPolarHBondContact O-CD2 3.43Å; F23-Y79 VanDerWaalsContact O-CG 3.29Å; F23-S81 VanDerWaalsContact CD2-CA 3.5Å; F23-S81 WeakPolarHBondContact CE2-O 3.28Å; F23-A84 HydrophobicContact CD1-CB 3.89Å; F23-A84 HydrophobicContact CE1-CB 3.72Å; F23-L89 HydrophobicContact CD1-CD2 4.49Å; F23-L89 HydrophobicContact CE1-CD2 3.58Å; F23-L89 HydrophobicContact CZ-CD2 3.6Å; F23-M92 HydrophobicContact CE1-CE 4.24Å; F23-M92 HydrophobicContact CE1-SD 3.79Å; F23-M92 HydrophobicContact CE2-SD 4.02Å; F23-M92 HydrophobicContact CZ-CE 4.31Å; F23-M92 HydrophobicContact CZ-SD 3.28Å; F23-M92 WeakPolarHBondContact CZ-SD 3.5Å
24S92.9Very high92.8Very high48 Ų4844.1 Ų44.134%0.33624%0.24SC..  trans-101.3-170.3170.1-171.40000111.1D29 Y79 T80S24-D29 PolarHBondContact OG-OD2 3.03Å; S24-Y79 WeakPolarHBondContact O-CB 3.18Å; S24-T80 WeakPolarHBondContact O-CB 3.37Å; S24-T80 PolarHBondContact O-N 3.16Å
25C94.7Very high92.6Very high11 Ų1146.4 Ų46.47%0.07427%0.266CS..  trans-130.6129.1171.7172.10000108.5N27 R28 D29 Y79C25-N27 PolarHBondContact O-N 3.41Å; C25-R28 HydrophobicContact CB-CB 4.35Å; C25-R28 HydrophobicContact CB-CG 3.95Å; C25-R28 WeakPolarHBondContact O-CA 3.45Å; C25-R28 WeakPolarHBondContact O-CB 3.27Å; C25-R28 PolarHBondContact O-N 3.24Å; C25-D29 PolarHBondContact O-N 2.88Å; C25-D29 VanDerWaalsContact O-N 3.15Å; C25-Y79 HydrophobicContact CB-CD1 4.37Å
26P95Very high92.6Very high0 Ų042.6 Ų42.60%025%0.249CC..Hα-helixtrans-63.3-19.5-176.821.5-31.5000113.6R28 D29 T31 I32 G33 F83 C113P26-R28 VanDerWaalsContact C-N 3.3Å; P26-D29 VanDerWaalsContact CA-OD1 3.31Å; P26-D29 WeakPolarHBondContact CA-OD1 3.41Å; P26-T31 HydrophobicContact CB-CG2 4.26Å; P26-T31 PolarHBondContact O-N 3.15Å; P26-I32 HydrophobicContact CB-CB 4.19Å; P26-I32 HydrophobicContact CB-CD1 3.8Å; P26-I32 HydrophobicContact CB-CG1 3.88Å; P26-I32 HydrophobicContact CG-CD1 3.81Å; P26-I32 HydrophobicContact CG-CG1 4.43Å; P26-I32 PolarHBondContact O-N 3.44Å; P26-G33 PolarHBondContact O-N 3.01Å; P26-F83 HydrophobicContact CB-CD2 4.18Å; P26-F83 HydrophobicContact CB-CE1 4.24Å; P26-F83 HydrophobicContact CB-CE2 3.65Å; P26-F83 HydrophobicContact CB-CZ 3.68Å; P26-F83 HydrophobicContact CG-CD2 3.92Å; P26-F83 HydrophobicContact CG-CE2 3.9Å; P26-F83 HydrophobicContact CG-CG 4.36Å; P26-F83 HydrophobicContact CG-CZ 4.3Å; P26-C113 VanDerWaalsContact CG-SG 3.52Å
27N92.9Very high92.7Very high2 Ų241.1 Ų41.11%0.01124%0.243CC..Hα-helixtrans-83.7-8.1175.6-166.353.7000113.2C25 G33 R34 G36 C37 N150C25-N27 PolarHBondContact O-N 3.41Å; N27-G33 CarbonylContact C-O 3.52Å; N27-G33 VanDerWaalsContact C-O 3.32Å; N27-G33 CarbonylContact O-C 3.04Å; N27-G33 VanDerWaalsContact O-C 3.3Å; N27-R34 CarbonylContact O-C 3.54Å; N27-G36 VanDerWaalsContact O-CA 3.27Å; N27-G36 WeakPolarHBondContact O-CA 3.19Å; N27-G36 PolarHBondContact O-N 3.39Å; N27-C37 PolarHBondContact ND2-N 3.09Å; N27-N150 PolarHBondContact ND2-O 3.47Å
28R92.3Very high92.8Very high100 Ų10041.9 Ų41.938%0.37725%0.248SC..Hα-helixtrans-100-45.2173.5-63.7-176.189.1-153.514.1111.2C25 P26 G30 Y79C25-R28 HydrophobicContact CB-CB 4.35Å; C25-R28 HydrophobicContact CB-CG 3.95Å; C25-R28 WeakPolarHBondContact O-CA 3.45Å; C25-R28 WeakPolarHBondContact O-CB 3.27Å; C25-R28 PolarHBondContact O-N 3.24Å; P26-R28 VanDerWaalsContact C-N 3.3Å; R28-G30 VanDerWaalsContact C-N 3.34Å; R28-G30 PolarHBondContact O-N 3.17Å; R28-Y79 VanDerWaalsContact NH1-CZ 3.26Å; R28-Y79 PolarHBondContact NH1-OH 3.08Å
29D91.6Very high92.9Very high74 Ų7441.1 Ų41.140%0.39624%0.241SC..Hα-helixtrans-81-8.1-171.161.730.2000115.2S24 C25 P26 T31 F83S24-D29 PolarHBondContact OG-OD2 3.03Å; C25-D29 PolarHBondContact O-N 2.88Å; C25-D29 VanDerWaalsContact O-N 3.15Å; P26-D29 VanDerWaalsContact CA-OD1 3.31Å; P26-D29 WeakPolarHBondContact CA-OD1 3.41Å; D29-T31 VanDerWaalsContact OD1-CB 3.28Å; D29-T31 WeakPolarHBondContact OD1-CB 3.4Å; D29-T31 PolarHBondContact OD1-N 2.98Å; D29-T31 PolarHBondContact OD1-OG1 3.47Å; D29-F83 WeakPolarHBondContact OD2-CE1 3.48Å
30G90.9Very high92.8Very high37 Ų3742.5 Ų42.538%0.38125%0.251SS..SBendtrans103.7-5.317900000115R28 G33R28-G30 VanDerWaalsContact C-N 3.34Å; R28-G30 PolarHBondContact O-N 3.17Å; G30-G33 WeakPolarHBondContact CA-O 3.37Å; G30-G33 PolarHBondContact N-O 3.35Å; G30-G33 VanDerWaalsContact N-O 3.09Å
31T92.2Very high92.7Very high97 Ų9744.1 Ų44.160%0.59526%0.259SS*.SBendtrans-66.4-45.6-178.3-53.10000112.5P26 D29 F83P26-T31 HydrophobicContact CB-CG2 4.26Å; P26-T31 PolarHBondContact O-N 3.15Å; D29-T31 VanDerWaalsContact OD1-CB 3.28Å; D29-T31 WeakPolarHBondContact OD1-CB 3.4Å; D29-T31 PolarHBondContact OD1-N 2.98Å; D29-T31 PolarHBondContact OD1-OG1 3.47Å; T31-F83 HydrophobicContact CG2-CZ 4.25Å
32I90.3Very high92.3Very high82 Ų8243.8 Ų43.842%0.42126%0.255SS..SBendtrans-114.4-31.9177.8-66.3175000111.2P26 D112 G152P26-I32 HydrophobicContact CB-CB 4.19Å; P26-I32 HydrophobicContact CB-CD1 3.8Å; P26-I32 HydrophobicContact CB-CG1 3.88Å; P26-I32 HydrophobicContact CG-CD1 3.81Å; P26-I32 HydrophobicContact CG-CG1 4.43Å; P26-I32 PolarHBondContact O-N 3.44Å; I32-D112 WeakPolarHBondContact CD1-OD2 3.32Å; I32-G152 WeakPolarHBondContact CG2-O 3.5Å
33G89.6Confident91.9Very high15 Ų1544.2 Ų44.216%0.15526%0.255CS..  trans-160.1176.2-178.600000110.7P26 N27 G30P26-G33 PolarHBondContact O-N 3.01Å; N27-G33 CarbonylContact C-O 3.52Å; N27-G33 VanDerWaalsContact C-O 3.32Å; N27-G33 CarbonylContact O-C 3.04Å; N27-G33 VanDerWaalsContact O-C 3.3Å; G30-G33 WeakPolarHBondContact CA-O 3.37Å; G30-G33 PolarHBondContact N-O 3.35Å; G30-G33 VanDerWaalsContact N-O 3.09Å
34R90.2Very high91.3Very high214 Ų21444.4 Ų44.481%0.80826%0.259SS*.BIsolated β-bridgetrans-120.2144.9179.2-66.8-177.6-178.4-1760.6110.7N27 G36 N150N27-R34 CarbonylContact O-C 3.54Å; R34-G36 VanDerWaalsContact C-N 3.29Å; R34-G36 PolarHBondContact O-N 3.45Å; R34-N150 PolarHBondContact O-ND2 2.96Å; R34-N150 VanDerWaalsContact O-ND2 3.13Å
35G89.6Confident90.8Very high58 Ų5846.6 Ų46.660%0.59826%0.262SS*.SBendtrans82.4-9.5172.300000116.1
36G93.7Very high90.3Very high3 Ų347 Ų473%0.03127%0.266CS..  trans78178.7-179.800000114.3N27 R34 N150N27-G36 VanDerWaalsContact O-CA 3.27Å; N27-G36 WeakPolarHBondContact O-CA 3.19Å; N27-G36 PolarHBondContact O-N 3.39Å; R34-G36 VanDerWaalsContact C-N 3.29Å; R34-G36 PolarHBondContact O-N 3.45Å; G36-N150 PolarHBondContact O-ND2 3.09Å
37C96.7Very high89.8Confident7 Ų750.6 Ų50.65%0.04729%0.285CS..  trans-65.8142.8176.9-42.70000109.6N27 F39 C40 I149 R151N27-C37 PolarHBondContact ND2-N 3.09Å; C37-F39 HydrophobicContact CB-CD1 3.85Å; C37-F39 HydrophobicContact CB-CE1 3.45Å; C37-F39 VanDerWaalsContact CB-CE1 3.45Å; C37-F39 HydrophobicContact CB-CZ 3.86Å; C37-F39 PolarHBondContact O-N 3.02Å; C37-F39 VanDerWaalsContact O-N 3.1Å; C37-C40 HydrophobicContact CB-CB 4.04Å; C37-C40 WeakPolarHBondContact O-CB 3.25Å; C37-C40 PolarHBondContact O-N 2.93Å; C37-I149 CarbonylContact C-O 3.46Å; C37-I149 WeakPolarHBondContact CA-O 3.34Å; C37-R151 PolarHBondContact SG-NH1 3.31Å
38T96.6Very high89.6Confident19 Ų1953 Ų5312%0.11730%0.296CS..THydrogen-bonded Turntrans-62.8-26.2-170.159.70000114I149 N150 S214 I215 M216T38-I149 PolarHBondContact N-O 3.35Å; T38-I149 WeakPolarHBondContact OG1-CA 3.45Å; T38-I149 PolarHBondContact OG1-O 3.18Å; T38-N150 HydrophobicContact CG2-CB 4.02Å; T38-S214 WeakPolarHBondContact O-CB 3.37Å; T38-I215 HydrophobicContact CG2-CB 4.22Å; T38-I215 HydrophobicContact CG2-CD1 4.15Å; T38-I215 HydrophobicContact CG2-CG2 4.16Å; T38-I215 PolarHBondContact O-N 3.25Å; T38-M216 WeakPolarHBondContact O-CG 3.33Å; T38-M216 PolarHBondContact O-N 3.1Å; T38-M216 VanDerWaalsContact OG1-CE 3.23Å; T38-M216 WeakPolarHBondContact OG1-CE 3.35Å
39F95.6Very high89.4Confident28 Ų2850.8 Ų50.812%0.12330%0.299CS..THydrogen-bonded Turntrans-86.3-13.1176.965-93.1000113.8C37 Q139 I149 I177 L208 M216C37-F39 HydrophobicContact CB-CD1 3.85Å; C37-F39 HydrophobicContact CB-CE1 3.45Å; C37-F39 VanDerWaalsContact CB-CE1 3.45Å; C37-F39 HydrophobicContact CB-CZ 3.86Å; C37-F39 PolarHBondContact O-N 3.02Å; C37-F39 VanDerWaalsContact O-N 3.1Å; F39-Q139 HydrophobicContact CE1-CG 4.24Å; F39-Q139 HydrophobicContact CZ-CG 3.89Å; F39-I149 HydrophobicContact CD1-CB 4.35Å; F39-I149 HydrophobicContact CD1-CD1 4.18Å; F39-I149 HydrophobicContact CE1-CD1 3.85Å; F39-I149 HydrophobicContact CE1-CG1 4.34Å; F39-I177 HydrophobicContact CD2-CD1 4.1Å; F39-I177 HydrophobicContact CE1-CD1 4.36Å; F39-I177 HydrophobicContact CE2-CD1 3.83Å; F39-I177 HydrophobicContact CG-CD1 4.49Å; F39-I177 HydrophobicContact CZ-CD1 3.97Å; F39-L208 HydrophobicContact CB-CD1 3.75Å; F39-L208 HydrophobicContact CG-CD1 4.46Å; F39-M216 HydrophobicContact CB-CE 3.95Å; F39-M216 HydrophobicContact CB-CG 4.48Å; F39-M216 HydrophobicContact CB-SD 3.57Å; F39-M216 VanDerWaalsContact CB-SD 3.57Å
40C92.2Very high89.2Confident33 Ų3347.9 Ų47.922%0.22328%0.283CS..  trans-88.3125.7-164.4-172.50000112C37C37-C40 HydrophobicContact CB-CB 4.04Å; C37-C40 WeakPolarHBondContact O-CB 3.25Å; C37-C40 PolarHBondContact O-N 2.93Å
41N91.5Very high89.1Confident35 Ų3549.2 Ų49.219%0.18728%0.28CS..  trans-136.4110.1154.4-179.63.6000107.8A43 S44 V211 K212N41-A43 PolarHBondContact O-N 2.92Å; N41-A43 PolarHBondContact OD1-N 3.18Å; N41-S44 VanDerWaalsContact O-CB 3.27Å; N41-S44 WeakPolarHBondContact O-CB 3.34Å; N41-S44 PolarHBondContact O-N 3.35Å; N41-S44 PolarHBondContact O-OG 3.3Å; N41-V211 HydrophobicContact CB-CG2 3.72Å; N41-K212 PolarHBondContact ND2-O 3.24Å
42V84.7Confident89Confident2 Ų252 Ų521%0.01229%0.286CS..G310 helixtrans-64.8-31.4-172.9175.80000112.5S44 F45 A46 A78 Y79V42-S44 PolarHBondContact O-N 3.02Å; V42-F45 HydrophobicContact CB-CE1 4.48Å; V42-F45 HydrophobicContact CB-CE2 4.45Å; V42-F45 HydrophobicContact CB-CZ 4.08Å; V42-F45 HydrophobicContact CG1-CE2 3.99Å; V42-F45 HydrophobicContact CG1-CZ 4.12Å; V42-F45 HydrophobicContact CG2-CE1 4.29Å; V42-F45 HydrophobicContact CG2-CE2 4.39Å; V42-F45 HydrophobicContact CG2-CZ 3.72Å; V42-F45 PolarHBondContact O-N 2.99Å; V42-A46 HydrophobicContact CG1-CB 3.87Å; V42-A46 PolarHBondContact O-N 3.5Å; V42-A78 HydrophobicContact CG1-CB 4.11Å; V42-Y79 HydrophobicContact CB-CD1 4.21Å; V42-Y79 HydrophobicContact CB-CE1 3.52Å; V42-Y79 HydrophobicContact CB-CE2 4.02Å; V42-Y79 VanDerWaalsContact CB-CZ 3.45Å; V42-Y79 HydrophobicContact CG1-CD1 4.4Å; V42-Y79 HydrophobicContact CG1-CD2 4.02Å; V42-Y79 HydrophobicContact CG1-CE1 4Å; V42-Y79 HydrophobicContact CG1-CE2 3.66Å; V42-Y79 HydrophobicContact CG1-CG 4.38Å; V42-Y79 HydrophobicContact CG2-CD1 3.47Å; V42-Y79 VanDerWaalsContact CG2-CD1 3.47Å; V42-Y79 HydrophobicContact CG2-CE1 3.11Å; V42-Y79 HydrophobicContact CG2-CE2 4.34Å; V42-Y79 HydrophobicContact CG2-CG 4.17Å
43A83Confident89.1Confident49 Ų4953.2 Ų53.241%0.40529%0.285SS..G310 helixtrans-60.4-11.9172.400000113.8N41 E48N41-A43 PolarHBondContact O-N 2.92Å; N41-A43 PolarHBondContact OD1-N 3.18Å; A43-E48 HydrophobicContact CB-CG 3.97Å
44S81.9Confident89.3Confident19 Ų1954.7 Ų54.713%0.13329%0.293CS..G310 helixtrans-81.8-13.7174.786.90000114.2N41 V42 T261N41-S44 VanDerWaalsContact O-CB 3.27Å; N41-S44 WeakPolarHBondContact O-CB 3.34Å; N41-S44 PolarHBondContact O-N 3.35Å; N41-S44 PolarHBondContact O-OG 3.3Å; V42-S44 PolarHBondContact O-N 3.02Å; S44-T261 VanDerWaalsContact CB-CG2 3.42Å
45F80.9Confident89.5Confident94 Ų9445 Ų4541%0.41226%0.257SS..THydrogen-bonded Turntrans-141.9-6.3-176.260.9-102000114.5V42V42-F45 HydrophobicContact CB-CE1 4.48Å; V42-F45 HydrophobicContact CB-CE2 4.45Å; V42-F45 HydrophobicContact CB-CZ 4.08Å; V42-F45 HydrophobicContact CG1-CE2 3.99Å; V42-F45 HydrophobicContact CG1-CZ 4.12Å; V42-F45 HydrophobicContact CG2-CE1 4.29Å; V42-F45 HydrophobicContact CG2-CE2 4.39Å; V42-F45 HydrophobicContact CG2-CZ 3.72Å; V42-F45 PolarHBondContact O-N 2.99Å
46A84.7Confident89.7Confident18 Ų1843.8 Ų43.815%0.14924%0.242CC..SBendtrans-129.4144.2170.200000109.5V42 E48 A78V42-A46 HydrophobicContact CG1-CB 3.87Å; V42-A46 PolarHBondContact O-N 3.5Å; A46-E48 PolarHBondContact O-N 2.94Å; A46-A78 HydrophobicContact CB-CB 3.98Å
47D85Confident89.7Confident76 Ų7648.9 Ų48.941%0.40627%0.265SS..  trans-81.5106.4172.3172.612000108.9A49 Q50D47-A49 PolarHBondContact O-N 2.94Å; D47-A49 WeakPolarHBondContact OD1-CB 3.26Å; D47-A49 PolarHBondContact OD1-N 3.05Å; D47-Q50 HydrophobicContact CB-CG 3.9Å; D47-Q50 VanDerWaalsContact O-CB 3.3Å; D47-Q50 WeakPolarHBondContact O-CB 3.41Å; D47-Q50 PolarHBondContact O-N 3.33Å; D47-Q50 PolarHBondContact OD2-NE2 3.34Å
48E87.7Confident89.6Confident52 Ų5248.7 Ų48.724%0.24326%0.263CS..G310 helixtrans-58.4-27.8-178.2-69.9-74.7152.700112.3H20 A43 A46 Q50 Q51 Y79H20-E48 IonicContact NE2-OE2 2.79Å; A43-E48 HydrophobicContact CB-CG 3.97Å; A46-E48 PolarHBondContact O-N 2.94Å; E48-Q50 PolarHBondContact O-N 3.22Å; E48-Q51 WeakPolarHBondContact O-CB 3.34Å; E48-Q51 WeakPolarHBondContact O-CG 3.47Å; E48-Q51 PolarHBondContact O-N 2.87Å; E48-Q51 PolarHBondContact O-NE2 3.39Å; E48-Q51 PolarHBondContact OE2-NE2 3Å; E48-Q51 VanDerWaalsContact OE2-NE2 3.08Å; E48-Y79 PolarHBondContact OE1-OH 3.46Å
49A88.2Confident89.5Confident54 Ų5448.1 Ų48.145%0.44626%0.259SS..G310 helixtrans-68.1-2117900000112.7D47 Q51 H52D47-A49 PolarHBondContact O-N 2.94Å; D47-A49 WeakPolarHBondContact OD1-CB 3.26Å; D47-A49 PolarHBondContact OD1-N 3.05Å; A49-Q51 PolarHBondContact O-N 3.2Å; A49-H52 PolarHBondContact O-N 3.17Å
50Q87.8Confident89.3Confident13 Ų1349.3 Ų49.36%0.06128%0.275CS..G310 helixtrans-64-26.4178.1-68178.16.600112.4H20 D47 E48 H52 R53 Q58H20-Q50 HydrophobicContact CB-CB 3.96Å; D47-Q50 HydrophobicContact CB-CG 3.9Å; D47-Q50 VanDerWaalsContact O-CB 3.3Å; D47-Q50 WeakPolarHBondContact O-CB 3.41Å; D47-Q50 PolarHBondContact O-N 3.33Å; D47-Q50 PolarHBondContact OD2-NE2 3.34Å; E48-Q50 PolarHBondContact O-N 3.22Å; Q50-H52 PolarHBondContact O-N 2.79Å; Q50-H52 VanDerWaalsContact O-N 3.09Å; Q50-R53 PolarHBondContact O-N 2.85Å; Q50-Q58 HydrophobicContact CB-CG 4.28Å; Q50-Q58 VanDerWaalsContact O-CD 3.3Å; Q50-Q58 PolarHBondContact O-NE2 3.09Å
51Q89.4Confident89.3Confident65 Ų6551.1 Ų51.130%0.30428%0.279SS..G310 helixtrans-61-21.9-177.485.3-171.9-78.800114.1H20 E48 A49H20-Q51 HydrophobicContact CB-CB 4.48Å; H20-Q51 VanDerWaalsContact CE1-CB 3.44Å; H20-Q51 WeakPolarHBondContact CE1-CB 3.49Å; H20-Q51 WeakPolarHBondContact ND1-CB 3.43Å; E48-Q51 WeakPolarHBondContact O-CB 3.34Å; E48-Q51 WeakPolarHBondContact O-CG 3.47Å; E48-Q51 PolarHBondContact O-N 2.87Å; E48-Q51 PolarHBondContact O-NE2 3.39Å; E48-Q51 PolarHBondContact OE2-NE2 3Å; E48-Q51 VanDerWaalsContact OE2-NE2 3.08Å; A49-Q51 PolarHBondContact O-N 3.2Å
52H90.6Very high89.3Confident155 Ų15550.6 Ų50.672%0.71828%0.276SS*.G310 helixtrans-89.9-5.5-180-56.5-56.6000113.4A49 Q50A49-H52 PolarHBondContact O-N 3.17Å; Q50-H52 PolarHBondContact O-N 2.79Å; Q50-H52 VanDerWaalsContact O-N 3.09Å
53R92.3Very high89.5Confident108 Ų10851.4 Ų51.441%0.40828%0.282SS..SBendtrans-97.6149.6177.3-62.5-177.1-176.6171.43110.2Q50 E57 Q58Q50-R53 PolarHBondContact O-N 2.85Å; R53-E57 HydrophobicContact CB-CB 4.17Å; R53-Q58 HydrophobicContact CB-CG 3.93Å; R53-Q58 PolarHBondContact O-NE2 3.49Å
54S93.8Very high89.8Confident47 Ų4755.2 Ų55.233%0.32930%0.296SS..  trans-60.4156.1171.667.20000111.2A56 E57 Q58S54-A56 PolarHBondContact O-N 3.12Å; S54-E57 WeakPolarHBondContact CB-OE2 3.21Å; S54-E57 PolarHBondContact N-OE2 3.02Å; S54-E57 PolarHBondContact O-N 2.87Å; S54-E57 VanDerWaalsContact O-N 3.17Å; S54-E57 WeakPolarHBondContact OG-CB 3.39Å; S54-E57 VanDerWaalsContact OG-CD 3.22Å; S54-E57 WeakPolarHBondContact OG-CG 3.39Å; S54-E57 PolarHBondContact OG-N 2.99Å; S54-E57 PolarHBondContact OG-OE2 3.15Å; S54-Q58 WeakPolarHBondContact O-CG 2.86Å; S54-Q58 PolarHBondContact O-N 2.79Å
55I94.7Very high90.1Very high9 Ų959.7 Ų59.75%0.04632%0.318CS..Hα-helixtrans-58.6-38.3178.1-62.6-57.2000111.3L19 Q58 L59 F76 M92 Q95 A96L19-I55 HydrophobicContact CD1-CG2 4.08Å; I55-Q58 PolarHBondContact O-N 2.96Å; I55-L59 HydrophobicContact CG2-CD1 4.1Å; I55-L59 HydrophobicContact CG2-CG 4.5Å; I55-L59 WeakPolarHBondContact O-CB 3.48Å; I55-L59 WeakPolarHBondContact O-CG 3.44Å; I55-L59 PolarHBondContact O-N 2.86Å; I55-F76 HydrophobicContact CD1-CE1 3.73Å; I55-F76 HydrophobicContact CD1-CZ 4.11Å; I55-F76 HydrophobicContact CG1-CE1 4.49Å; I55-F76 HydrophobicContact CG2-CZ 4.31Å; I55-M92 HydrophobicContact CG1-CB 4.44Å; I55-Q95 HydrophobicContact CB-CB 4.17Å; I55-Q95 HydrophobicContact CG2-CB 4.37Å; I55-A96 HydrophobicContact CG2-CB 3.75Å
56A92.8Very high90.1Very high33 Ų3356.3 Ų56.327%0.27331%0.305SS..Hα-helixtrans-63.1-44.8176.900000112.2S54 L59 A60S54-A56 PolarHBondContact O-N 3.12Å; A56-L59 PolarHBondContact O-N 2.86Å; A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 3.37Å
57E94.3Very high89.4Confident110 Ų11062.2 Ų62.251%0.51433%0.334SS..Hα-helixtrans-65.2-40.8176.8-72164.9135.900112.1R53 S54 A60 H61R53-E57 HydrophobicContact CB-CB 4.17Å; S54-E57 WeakPolarHBondContact CB-OE2 3.21Å; S54-E57 PolarHBondContact N-OE2 3.02Å; S54-E57 PolarHBondContact O-N 2.87Å; S54-E57 VanDerWaalsContact O-N 3.17Å; S54-E57 WeakPolarHBondContact OG-CB 3.39Å; S54-E57 VanDerWaalsContact OG-CD 3.22Å; S54-E57 WeakPolarHBondContact OG-CG 3.39Å; S54-E57 PolarHBondContact OG-N 2.99Å; S54-E57 PolarHBondContact OG-OE2 3.15Å; E57-A60 PolarHBondContact O-N 3.07Å; E57-H61 VanDerWaalsContact O-CB 3.26Å; E57-H61 WeakPolarHBondContact O-CB 3.45Å; E57-H61 PolarHBondContact O-N 3.3Å
58Q95Very high88.6Confident3 Ų367.6 Ų67.61%0.01435%0.349CS..Hα-helixtrans-60.3-46.8175.3-68.3-177.344.500110.8L19 H20 Q50 R53 S54 I55 H61 Q62L19-Q58 HydrophobicContact CD2-CB 3.53Å; H20-Q58 PolarHBondContact O-NE2 3.38Å; H20-Q58 PolarHBondContact O-OE1 2.89Å; Q50-Q58 HydrophobicContact CB-CG 4.28Å; Q50-Q58 VanDerWaalsContact O-CD 3.3Å; Q50-Q58 PolarHBondContact O-NE2 3.09Å; R53-Q58 HydrophobicContact CB-CG 3.93Å; R53-Q58 PolarHBondContact O-NE2 3.49Å; S54-Q58 WeakPolarHBondContact O-CG 2.86Å; S54-Q58 PolarHBondContact O-N 2.79Å; I55-Q58 PolarHBondContact O-N 2.96Å; Q58-H61 PolarHBondContact O-N 3.08Å; Q58-Q62 WeakPolarHBondContact O-CB 3.32Å; Q58-Q62 VanDerWaalsContact O-CG 3.3Å; Q58-Q62 WeakPolarHBondContact O-CG 3.44Å; Q58-Q62 PolarHBondContact O-N 3.46Å
59L93.6Very high88.1Confident7 Ų765.9 Ų65.94%0.03734%0.344CS..Hα-helixtrans-61.6-48177.5-75.5172.9000112.2L17 L19 I55 A56 H61 Q62 A63 A74 A96 Q99 I102L17-L59 HydrophobicContact CB-CD2 3.98Å; L17-L59 HydrophobicContact CD1-CD2 3.93Å; L19-L59 HydrophobicContact CD1-CD2 4.01Å; L19-L59 HydrophobicContact CD1-CG 4.28Å; L19-L59 HydrophobicContact CD2-CD2 3.8Å; L19-L59 HydrophobicContact CD2-CG 3.85Å; L19-L59 HydrophobicContact CG-CD2 4.21Å; I55-L59 HydrophobicContact CG2-CD1 4.1Å; I55-L59 HydrophobicContact CG2-CG 4.5Å; I55-L59 WeakPolarHBondContact O-CB 3.48Å; I55-L59 WeakPolarHBondContact O-CG 3.44Å; I55-L59 PolarHBondContact O-N 2.86Å; A56-L59 PolarHBondContact O-N 2.86Å; L59-H61 VanDerWaalsContact C-N 3.32Å; L59-H61 PolarHBondContact O-N 3.37Å; L59-Q62 PolarHBondContact O-N 3.2Å; L59-A63 VanDerWaalsContact O-CB 3.28Å; L59-A63 WeakPolarHBondContact O-CB 3.49Å; L59-A63 PolarHBondContact O-N 3.4Å; L59-A74 HydrophobicContact CD2-CB 4.18Å; L59-A96 HydrophobicContact CD1-CB 4.11Å; L59-Q99 HydrophobicContact CD1-CB 4.35Å; L59-Q99 HydrophobicContact CD1-CG 3.65Å; L59-I102 HydrophobicContact CD1-CD1 4.29Å; L59-I102 HydrophobicContact CD1-CG1 4.24Å; L59-I102 HydrophobicContact CD2-CD1 4Å
60A91.7Very high87.9Confident54 Ų5471 Ų7145%0.44636%0.356SS..Hα-helixtrans-60.5-43.1178.400000111.6A56 E57 N64A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 3.37Å; E57-A60 PolarHBondContact O-N 3.07Å; A60-N64 PolarHBondContact O-N 3.06Å; A60-N64 PolarHBondContact O-ND2 3.37Å
61H92.2Very high88.2Confident70 Ų7074.9 Ų74.932%0.32437%0.37SS..Hα-helixtrans-62.9-49.1177.1-177.466.5000112.1E57 Q58 L59 A63 N64 L65E57-H61 VanDerWaalsContact O-CB 3.26Å; E57-H61 WeakPolarHBondContact O-CB 3.45Å; E57-H61 PolarHBondContact O-N 3.3Å; Q58-H61 PolarHBondContact O-N 3.08Å; L59-H61 VanDerWaalsContact C-N 3.32Å; L59-H61 PolarHBondContact O-N 3.37Å; H61-A63 PolarHBondContact O-N 3.1Å; H61-N64 PolarHBondContact O-N 3.47Å; H61-L65 PolarHBondContact O-N 3.46Å
62Q91.5Very high88.5Confident25 Ų2572.9 Ų72.912%0.11736%0.36CS..Hα-helixtrans-64.8-38.9179.6-71.1-65.2-2900112.3L17 Q58 L59 N64 L65 V66L17-Q62 HydrophobicContact CB-CB 3.99Å; L17-Q62 HydrophobicContact CD1-CB 4.4Å; L17-Q62 HydrophobicContact CD2-CB 3.86Å; L17-Q62 HydrophobicContact CG-CB 4.27Å; Q58-Q62 WeakPolarHBondContact O-CB 3.32Å; Q58-Q62 VanDerWaalsContact O-CG 3.3Å; Q58-Q62 WeakPolarHBondContact O-CG 3.44Å; Q58-Q62 PolarHBondContact O-N 3.46Å; L59-Q62 PolarHBondContact O-N 3.2Å; Q62-N64 VanDerWaalsContact C-N 3.32Å; Q62-N64 PolarHBondContact O-N 3.43Å; Q62-L65 PolarHBondContact O-N 3.43Å; Q62-V66 WeakPolarHBondContact O-CG2 3.16Å; Q62-V66 PolarHBondContact O-N 2.86Å
63A89.7Confident88.8Confident18 Ų1865.5 Ų65.515%0.14933%0.325CS..Hα-helixtrans-60-42176.500000112L17 L59 H61 L65 V66 N67 Y72L17-A63 HydrophobicContact CD1-CB 4.02Å; L59-A63 VanDerWaalsContact O-CB 3.28Å; L59-A63 WeakPolarHBondContact O-CB 3.49Å; L59-A63 PolarHBondContact O-N 3.4Å; H61-A63 PolarHBondContact O-N 3.1Å; A63-L65 PolarHBondContact O-N 3.22Å; A63-V66 PolarHBondContact O-N 3.46Å; A63-N67 PolarHBondContact O-N 2.7Å; A63-N67 VanDerWaalsContact O-N 3.16Å; A63-Y72 HydrophobicContact CB-CE1 4.32Å; A63-Y72 HydrophobicContact CB-CE2 4.12Å
64N89.3Confident89.1Confident130 Ų13060.3 Ų60.370%0.69531%0.306SS*.Hα-helixtrans-64-36.8177.2-76.5-25000113A60 H61 Q62A60-N64 PolarHBondContact O-N 3.06Å; A60-N64 PolarHBondContact O-ND2 3.37Å; H61-N64 PolarHBondContact O-N 3.47Å; Q62-N64 VanDerWaalsContact C-N 3.32Å; Q62-N64 PolarHBondContact O-N 3.43Å
65L86.4Confident89.2Confident113 Ų11358.6 Ų58.659%0.59229%0.292SS*.Hα-helixtrans-69.8-36.3178.7-67.6177.2000112.8H61 Q62 A63H61-L65 PolarHBondContact O-N 3.46Å; Q62-L65 PolarHBondContact O-N 3.43Å; A63-L65 PolarHBondContact O-N 3.22Å
66V81.2Confident89.4Confident22 Ų2258.2 Ų58.213%0.13329%0.29CS..Hα-helixtrans-77.8-39.8-175.9174.30000110.8H15 L17 Q62 A63 R68H15-V66 HydrophobicContact CB-CG1 4.2Å; L17-V66 HydrophobicContact CD2-CG2 4.07Å; Q62-V66 WeakPolarHBondContact O-CG2 3.16Å; Q62-V66 PolarHBondContact O-N 2.86Å; A63-V66 PolarHBondContact O-N 3.46Å; V66-R68 HydrophobicContact CG1-CB 3.93Å; V66-R68 WeakPolarHBondContact O-CB 3.3Å; V66-R68 VanDerWaalsContact O-CD 3.23Å; V66-R68 WeakPolarHBondContact O-CD 3.33Å; V66-R68 WeakPolarHBondContact O-CG 3.45Å; V66-R68 PolarHBondContact O-N 2.57Å
67N70.3Confident89.4Confident143 Ų14358.2 Ų58.277%0.76529%0.285SS*.  trans3634-178.5-159.516.6000115.6A63A63-N67 PolarHBondContact O-N 2.7Å; A63-N67 VanDerWaalsContact O-N 3.16Å
68R68.6Low89.3Confident188 Ų18853 Ų5371%0.70926%0.261SS*.SBendtrans-132.5-1-168.8-77.1164.2-176.9-155.2-0.2113.9V66V66-R68 HydrophobicContact CG1-CB 3.93Å; V66-R68 WeakPolarHBondContact O-CB 3.3Å; V66-R68 VanDerWaalsContact O-CD 3.23Å; V66-R68 WeakPolarHBondContact O-CD 3.33Å; V66-R68 WeakPolarHBondContact O-CG 3.45Å; V66-R68 PolarHBondContact O-N 2.57Å
69A75.8Confident89.2Confident17 Ų1754.6 Ų54.614%0.1427%0.267CS..  trans-144.9155.2-178.700000109.8K13 H15 Y72K13-A69 HydrophobicContact CB-CB 4.38Å; K13-A69 WeakPolarHBondContact O-CB 3.29Å; H15-A69 HydrophobicContact CB-CB 3.86Å; A69-Y72 HydrophobicContact CB-CD1 4.35Å; A69-Y72 HydrophobicContact CB-CE1 3.97Å; A69-Y72 PolarHBondContact O-OH 2.97Å
70K85.9Confident89.4Confident160 Ų16054.4 Ų54.470%0.69627%0.266SS*.SBendtrans-102.3-16.2172.5-65.8-174.6179-178.50112.7N101K70-N101 WeakPolarHBondContact O-CB 3.46Å
71R93.4Very high89.6Confident96 Ų9651.8 Ų51.836%0.36224%0.244SC..EExtended strand (participates in β ladder)trans-126.1148.3179.9-65.7-58.9-169.4123.22.3109.8Q12 V14 H15 N101 V103Q12-R71 HydrophobicContact CG-CG 4.39Å; V14-R71 VanDerWaalsContact CA-O 3.31Å; V14-R71 WeakPolarHBondContact CA-O 3.48Å; V14-R71 HydrophobicContact CG2-CB 4.07Å; H15-R71 PolarHBondContact N-O 3.15Å; H15-R71 VanDerWaalsContact N-O 3.13Å; R71-N101 CarbonylContact C-O 3.6Å; R71-N101 VanDerWaalsContact CA-O 3.3Å; R71-N101 WeakPolarHBondContact CA-O 3.39Å; R71-V103 HydrophobicContact CB-CG1 3.84Å; R71-V103 HydrophobicContact CB-CG2 4.47Å; R71-V103 HydrophobicContact CG-CG1 3.92Å
72Y95.6Very high89.8Confident22 Ų2248.8 Ų48.89%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-141155.9-174-47.1-87000113.2H15 L17 A63 A69 N101 I102 V103H15-Y72 HydrophobicContact CB-CD1 4.03Å; H15-Y72 HydrophobicContact CB-CE1 4.46Å; H15-Y72 CarbonylContact O-C 3.3Å; H15-Y72 WeakPolarHBondContact O-CA 3.41Å; H15-Y72 WeakPolarHBondContact O-CB 3.48Å; L17-Y72 HydrophobicContact CD1-CD1 3.63Å; L17-Y72 HydrophobicContact CD1-CD2 4.1Å; L17-Y72 HydrophobicContact CD1-CE1 4.22Å; L17-Y72 HydrophobicContact CD1-CG 3.56Å; L17-Y72 HydrophobicContact CD2-CD1 3.68Å; L17-Y72 HydrophobicContact CD2-CE1 4.05Å; L17-Y72 HydrophobicContact CD2-CG 4.44Å; L17-Y72 HydrophobicContact CG-CD1 3.65Å; L17-Y72 HydrophobicContact CG-CE1 4.41Å; L17-Y72 HydrophobicContact CG-CG 3.93Å; A63-Y72 HydrophobicContact CB-CE1 4.32Å; A63-Y72 HydrophobicContact CB-CE2 4.12Å; A69-Y72 HydrophobicContact CB-CD1 4.35Å; A69-Y72 HydrophobicContact CB-CE1 3.97Å; A69-Y72 PolarHBondContact O-OH 2.97Å; Y72-N101 HydrophobicContact CD2-CB 3.77Å; Y72-N101 HydrophobicContact CE2-CB 3.92Å; Y72-N101 PolarHBondContact N-O 3.48Å; Y72-I102 CarbonylContact O-C 3.51Å; Y72-I102 WeakPolarHBondContact O-CA 3.28Å; Y72-V103 WeakPolarHBondContact O-CG2 3.48Å; Y72-V103 PolarHBondContact O-N 3.25Å
73L97.2Very high90.1Very high0 Ų050.7 Ų50.70%024%0.239CC..EExtended strand (participates in β ladder)trans-102.7128.8164-64.6170.9000108.1F2 L6 V14 H15 K16 L17 Y75 V103 G104 E131F2-L73 HydrophobicContact CE1-CD1 3.75Å; F2-L73 HydrophobicContact CZ-CD1 3.73Å; L6-L73 HydrophobicContact CD1-CD1 3.88Å; L6-L73 HydrophobicContact CD2-CD1 4.39Å; V14-L73 HydrophobicContact CG1-CG 4.03Å; H15-L73 PolarHBondContact O-N 2.64Å; K16-L73 WeakPolarHBondContact CA-O 3.3Å; K16-L73 HydrophobicContact CG-CB 4.19Å; K16-L73 HydrophobicContact CG-CD1 4.13Å; L17-L73 PolarHBondContact N-O 3.01Å; L73-Y75 PolarHBondContact O-N 3.38Å; L73-V103 HydrophobicContact CD2-CG2 3.93Å; L73-V103 HydrophobicContact CG-CG2 4.49Å; L73-G104 WeakPolarHBondContact CA-O 3.35Å; L73-G104 VanDerWaalsContact CD2-CA 3.46Å; L73-E131 HydrophobicContact CD2-CB 3.99Å; L73-E131 HydrophobicContact CD2-CG 4Å
74A97.6Very high90.4Very high0 Ų051.7 Ų51.70%025%0.247CC..EExtended strand (participates in β ladder)trans-74118.9169.900000108.7L19 L59 F76 A96 I102 G104 L105 C106L19-A74 HydrophobicContact CD1-CB 3.86Å; L59-A74 HydrophobicContact CD2-CB 4.18Å; A74-F76 HydrophobicContact CB-CE2 4.48Å; A74-A96 HydrophobicContact CB-CB 3.64Å; A74-I102 HydrophobicContact CB-CG2 4.22Å; A74-G104 PolarHBondContact N-O 3.31Å; A74-L105 HydrophobicContact CB-CD1 4.18Å; A74-L105 CarbonylContact O-C 3.56Å; A74-L105 WeakPolarHBondContact O-CA 3.28Å; A74-C106 PolarHBondContact O-N 2.67Å
75Y97.4Very high90.7Very high11 Ų1152.6 Ų52.64%0.04325%0.247CC..EExtended strand (participates in β ladder)trans-116.698-173.8178-146.7000111.6K16 L17 T18 L19 L73 Q77 C106 E135 K204K16-Y75 HydrophobicContact CB-CD1 4.5Å; K16-Y75 HydrophobicContact CD-CD1 4.28Å; K16-Y75 HydrophobicContact CD-CG 4.37Å; L17-Y75 WeakPolarHBondContact O-CA 3.17Å; L17-Y75 WeakPolarHBondContact O-CB 3.44Å; L17-Y75 PolarHBondContact O-N 3.28Å; T18-Y75 CarbonylContact C-O 3.5Å; T18-Y75 WeakPolarHBondContact CA-O 3.42Å; T18-Y75 HydrophobicContact CG2-CD1 3.92Å; T18-Y75 HydrophobicContact CG2-CE1 4.41Å; L19-Y75 PolarHBondContact N-O 3.31Å; L73-Y75 PolarHBondContact O-N 3.38Å; Y75-Q77 HydrophobicContact CD1-CB 3.98Å; Y75-Q77 HydrophobicContact CD1-CG 4.49Å; Y75-Q77 HydrophobicContact CD2-CB 4.32Å; Y75-Q77 HydrophobicContact CE1-CB 3.58Å; Y75-Q77 VanDerWaalsContact CE1-CD 3.43Å; Y75-Q77 HydrophobicContact CE1-CG 3.64Å; Y75-Q77 HydrophobicContact CE2-CB 4Å; Y75-Q77 HydrophobicContact CE2-CG 4.43Å; Y75-Q77 HydrophobicContact CG-CB 4.32Å; Y75-Q77 PolarHBondContact O-N 3.31Å; Y75-Q77 VanDerWaalsContact O-N 3.1Å; Y75-Q77 WeakPolarHBondContact OH-CG 3.43Å; Y75-C106 CarbonylContact C-O 3.4Å; Y75-C106 WeakPolarHBondContact CA-O 3.32Å; Y75-C106 HydrophobicContact CD2-CB 3.34Å; Y75-C106 WeakPolarHBondContact CD2-O 2.95Å; Y75-C106 HydrophobicContact CE2-CB 4.12Å; Y75-C106 HydrophobicContact CG-CB 3.92Å; Y75-E135 PolarHBondContact OH-OE1 3.3Å; Y75-E135 PolarHBondContact OH-OE2 3.03Å; Y75-K204 PolarHBondContact OH-NZ 3.29Å
76F97.2Very high91.2Very high0 Ų048.9 Ų48.90%023%0.229CC..EExtended strand (participates in β ladder)trans-73.5101.1172.5-68.8-98.4000108.7L19 F23 I55 A74 S81 M92 Y93 A96 L105 C106 G108L19-F76 HydrophobicContact CB-CD1 4.38Å; L19-F76 HydrophobicContact CD1-CD2 4.11Å; L19-F76 HydrophobicContact CD1-CE1 4.28Å; L19-F76 HydrophobicContact CD1-CE2 3.71Å; L19-F76 HydrophobicContact CD1-CZ 3.81Å; F23-F76 HydrophobicContact CE2-CD1 4.08Å; I55-F76 HydrophobicContact CD1-CE1 3.73Å; I55-F76 HydrophobicContact CD1-CZ 4.11Å; I55-F76 HydrophobicContact CG1-CE1 4.49Å; I55-F76 HydrophobicContact CG2-CZ 4.31Å; A74-F76 HydrophobicContact CB-CE2 4.48Å; F76-S81 VanDerWaalsContact C-OG 3.32Å; F76-S81 PolarHBondContact O-OG 3.38Å; F76-S81 VanDerWaalsContact O-OG 3.13Å; F76-M92 HydrophobicContact CE1-CB 4.13Å; F76-M92 HydrophobicContact CZ-CB 4.32Å; F76-Y93 HydrophobicContact CD1-CD1 4.36Å; F76-Y93 HydrophobicContact CD1-CE1 4.01Å; F76-Y93 AromaticContact CD2-CD1 3.86Å; F76-Y93 HydrophobicContact CD2-CD1 3.86Å; F76-Y93 AromaticContact CD2-CE1 3.87Å; F76-Y93 HydrophobicContact CD2-CE1 3.87Å; F76-Y93 HydrophobicContact CE1-CD1 4.05Å; F76-Y93 HydrophobicContact CE1-CE1 4.12Å; F76-Y93 AromaticContact CE2-CD1 3.54Å; F76-Y93 HydrophobicContact CE2-CD1 3.54Å; F76-Y93 HydrophobicContact CE2-CE1 4.01Å; F76-Y93 HydrophobicContact CG-CD1 4.27Å; F76-Y93 AromaticContact CG-CE1 3.87Å; F76-Y93 HydrophobicContact CG-CE1 3.87Å; F76-Y93 AromaticContact CZ-CD1 3.64Å; F76-Y93 HydrophobicContact CZ-CD1 3.64Å; F76-Y93 HydrophobicContact CZ-CE1 4.13Å; F76-A96 HydrophobicContact CE2-CB 3.98Å; F76-A96 HydrophobicContact CZ-CB 4.14Å; F76-L105 HydrophobicContact CD2-CD1 3.53Å; F76-L105 HydrophobicContact CE2-CD1 3.47Å; F76-L105 VanDerWaalsContact CE2-CD1 3.47Å; F76-C106 PolarHBondContact N-O 2.9Å; F76-G108 WeakPolarHBondContact O-CA 3.46Å; F76-G108 PolarHBondContact O-N 2.73Å
77Q94.3Very high92Very high33 Ų3353.7 Ų53.715%0.15425%0.25CS..  trans-110.6-37.7-169.1179.6174.917.200113.2L19 Y75 Y79L19-Q77 PolarHBondContact O-N 3.45Å; Y75-Q77 HydrophobicContact CD1-CB 3.98Å; Y75-Q77 HydrophobicContact CD1-CG 4.49Å; Y75-Q77 HydrophobicContact CD2-CB 4.32Å; Y75-Q77 HydrophobicContact CE1-CB 3.58Å; Y75-Q77 VanDerWaalsContact CE1-CD 3.43Å; Y75-Q77 HydrophobicContact CE1-CG 3.64Å; Y75-Q77 HydrophobicContact CE2-CB 4Å; Y75-Q77 HydrophobicContact CE2-CG 4.43Å; Y75-Q77 HydrophobicContact CG-CB 4.32Å; Y75-Q77 PolarHBondContact O-N 3.31Å; Y75-Q77 VanDerWaalsContact O-N 3.1Å; Y75-Q77 WeakPolarHBondContact OH-CG 3.43Å; Q77-Y79 PolarHBondContact O-N 2.78Å
78A91.5Very high93.3Very high1 Ų150 Ų501%0.00823%0.232CC..SBendtrans-69.3134.1-17200000110.7H20 V42 A46 S81H20-A78 HydrophobicContact CB-CB 4.16Å; H20-A78 WeakPolarHBondContact CD2-CB 3.35Å; V42-A78 HydrophobicContact CG1-CB 4.11Å; A46-A78 HydrophobicContact CB-CB 3.98Å; A78-S81 PolarHBondContact O-OG 2.77Å
79Y93.6Very high94.7Very high37 Ų3741 Ų4115%0.14520%0.199CC..SBendtrans59.3-139.7177-62-69.4000114.6H20 F23 S24 C25 R28 V42 E48 Q77H20-Y79 AromaticContact CE1-CD2 3.88Å; H20-Y79 AromaticContact CE1-CE2 3.84Å; H20-Y79 AromaticContact NE2-CD2 3.72Å; H20-Y79 AromaticContact NE2-CE2 3.41Å; H20-Y79 WeakPolarHBondContact NE2-CE2 3.46Å; F23-Y79 WeakPolarHBondContact O-CB 3.38Å; F23-Y79 WeakPolarHBondContact O-CD2 3.43Å; F23-Y79 VanDerWaalsContact O-CG 3.29Å; S24-Y79 WeakPolarHBondContact O-CB 3.18Å; C25-Y79 HydrophobicContact CB-CD1 4.37Å; R28-Y79 VanDerWaalsContact NH1-CZ 3.26Å; R28-Y79 PolarHBondContact NH1-OH 3.08Å; V42-Y79 HydrophobicContact CB-CD1 4.21Å; V42-Y79 HydrophobicContact CB-CE1 3.52Å; V42-Y79 HydrophobicContact CB-CE2 4.02Å; V42-Y79 VanDerWaalsContact CB-CZ 3.45Å; V42-Y79 HydrophobicContact CG1-CD1 4.4Å; V42-Y79 HydrophobicContact CG1-CD2 4.02Å; V42-Y79 HydrophobicContact CG1-CE1 4Å; V42-Y79 HydrophobicContact CG1-CE2 3.66Å; V42-Y79 HydrophobicContact CG1-CG 4.38Å; V42-Y79 HydrophobicContact CG2-CD1 3.47Å; V42-Y79 VanDerWaalsContact CG2-CD1 3.47Å; V42-Y79 HydrophobicContact CG2-CE1 3.11Å; V42-Y79 HydrophobicContact CG2-CE2 4.34Å; V42-Y79 HydrophobicContact CG2-CG 4.17Å; E48-Y79 PolarHBondContact OE1-OH 3.46Å; Q77-Y79 PolarHBondContact O-N 2.78Å
80T96.1Very high95.7Very high2 Ų243.3 Ų43.31%0.01220%0.204CC..  trans-107.791.4179.2-53.90000106.7S24 T82 F83 T109 R110 C113S24-T80 WeakPolarHBondContact O-CB 3.37Å; S24-T80 PolarHBondContact O-N 3.16Å; T80-T82 PolarHBondContact O-N 3.43Å; T80-F83 HydrophobicContact CG2-CB 3.7Å; T80-F83 WeakPolarHBondContact O-CB 3.45Å; T80-F83 PolarHBondContact O-N 2.89Å; T80-T109 WeakPolarHBondContact CG2-OG1 3.42Å; T80-R110 HydrophobicContact CG2-CB 4.22Å; T80-R110 HydrophobicContact CG2-CG 3.91Å; T80-R110 WeakPolarHBondContact OG1-CD 3.45Å; T80-R110 WeakPolarHBondContact OG1-CG 3.18Å; T80-C113 HydrophobicContact CG2-CB 3.4Å; T80-C113 VanDerWaalsContact CG2-CB 3.4Å; T80-C113 VanDerWaalsContact CG2-SG 3.59Å
81S96.4Very high96.2Very high0 Ų038.8 Ų38.80%019%0.192CC..THydrogen-bonded Turntrans-70.73.5-166.5-55.60000115.2F23 F76 A78 L89 Y93 G108F23-S81 VanDerWaalsContact CD2-CA 3.5Å; F23-S81 WeakPolarHBondContact CE2-O 3.28Å; F76-S81 VanDerWaalsContact C-OG 3.32Å; F76-S81 PolarHBondContact O-OG 3.38Å; F76-S81 VanDerWaalsContact O-OG 3.13Å; A78-S81 PolarHBondContact O-OG 2.77Å; S81-L89 WeakPolarHBondContact O-CD2 3.43Å; S81-Y93 PolarHBondContact O-OH 2.94Å; S81-G108 WeakPolarHBondContact CB-O 3.28Å; S81-G108 PolarHBondContact N-O 3.12Å; S81-G108 VanDerWaalsContact N-O 3.11Å; S81-G108 PolarHBondContact OG-O 2.79Å; S81-G108 VanDerWaalsContact OG-O 3.04Å
82T97.7Very high96.4Very high6 Ų636.2 Ų36.24%0.03718%0.184CC..THydrogen-bonded Turntrans-116.75.5174.859.40000112T80 A84 V107 T109 C113 V118T80-T82 PolarHBondContact O-N 3.43Å; T82-A84 VanDerWaalsContact C-N 3.26Å; T82-A84 PolarHBondContact O-N 3.26Å; T82-A84 VanDerWaalsContact O-N 3.09Å; T82-V107 HydrophobicContact CG2-CG1 3.55Å; T82-T109 HydrophobicContact CG2-CG2 3.98Å; T82-T109 WeakPolarHBondContact OG1-CB 3.16Å; T82-T109 PolarHBondContact OG1-OG1 3.3Å; T82-C113 WeakPolarHBondContact CB-O 3.34Å; T82-C113 PolarHBondContact OG1-O 3.25Å; T82-V118 HydrophobicContact CG2-CG1 3.6Å
83F96.3Very high96.5Very high66 Ų6635.1 Ų35.129%0.28918%0.18SC..  trans-87.966178.4-167.4-112.5000111P26 D29 T31 T80P26-F83 HydrophobicContact CB-CD2 4.18Å; P26-F83 HydrophobicContact CB-CE1 4.24Å; P26-F83 HydrophobicContact CB-CE2 3.65Å; P26-F83 HydrophobicContact CB-CZ 3.68Å; P26-F83 HydrophobicContact CG-CD2 3.92Å; P26-F83 HydrophobicContact CG-CE2 3.9Å; P26-F83 HydrophobicContact CG-CG 4.36Å; P26-F83 HydrophobicContact CG-CZ 4.3Å; D29-F83 WeakPolarHBondContact OD2-CE1 3.48Å; T31-F83 HydrophobicContact CG2-CZ 4.25Å; T80-F83 HydrophobicContact CG2-CB 3.7Å; T80-F83 WeakPolarHBondContact O-CB 3.45Å; T80-F83 PolarHBondContact O-N 2.89Å
84A95.9Very high96.4Very high39 Ų3938.8 Ų38.832%0.32220%0.197SC..SBendtrans-159.6167.4171.300000109.2F23 T82 V88 L89F23-A84 HydrophobicContact CD1-CB 3.89Å; F23-A84 HydrophobicContact CE1-CB 3.72Å; T82-A84 VanDerWaalsContact C-N 3.26Å; T82-A84 PolarHBondContact O-N 3.26Å; T82-A84 VanDerWaalsContact O-N 3.09Å; A84-V88 HydrophobicContact CB-CB 4.29Å; A84-V88 HydrophobicContact CB-CG1 4.26Å; A84-L89 HydrophobicContact CB-CD2 3.89Å; A84-L89 HydrophobicContact CB-CG 4.33Å
85E96.6Very high96.3Very high149 Ų14942.6 Ų42.670%0.69622%0.215SC*.  trans-54.5138.9171.6-73.5-60.4144.600111.6Q87 V88 L89E85-Q87 PolarHBondContact O-N 2.91Å; E85-V88 HydrophobicContact CB-CG2 4.12Å; E85-V88 WeakPolarHBondContact O-CA 3.3Å; E85-V88 VanDerWaalsContact O-CB 3.32Å; E85-V88 WeakPolarHBondContact O-CB 3.19Å; E85-V88 PolarHBondContact O-N 2.78Å; E85-L89 PolarHBondContact O-N 2.83Å; E85-L89 VanDerWaalsContact O-N 3.12Å
86V97.4Very high96.3Very high34 Ų3442 Ų4221%0.20621%0.213CC..Hα-helixtrans-58-31.2-172.269.60000113L89 R90 A117 L121V86-L89 WeakPolarHBondContact O-CB 3.13Å; V86-L89 PolarHBondContact O-N 2.69Å; V86-R90 WeakPolarHBondContact O-CB 3.42Å; V86-R90 PolarHBondContact O-N 3.28Å; V86-A117 HydrophobicContact CB-CB 4.43Å; V86-A117 HydrophobicContact CG2-CB 4.22Å; V86-A117 WeakPolarHBondContact CG2-O 3.38Å; V86-L121 HydrophobicContact CG2-CB 4.15Å; V86-L121 HydrophobicContact CG2-CD2 3.95Å
87Q97.7Very high96.2Very high124 Ų12442.2 Ų42.258%0.57921%0.214SC*.Hα-helixtrans-71.7-31.6176.9-64-58-26.300112.8E85 S91E85-Q87 PolarHBondContact O-N 2.91Å; Q87-S91 WeakPolarHBondContact O-CB 3.47Å; Q87-S91 PolarHBondContact O-N 2.91Å
88V96.9Very high96.2Very high65 Ų6544 Ų4439%0.39423%0.23SC..Hα-helixtrans-66.7-45.7171.8178.10000109.5A84 E85 R90 S91 M92A84-V88 HydrophobicContact CB-CB 4.29Å; A84-V88 HydrophobicContact CB-CG1 4.26Å; E85-V88 HydrophobicContact CB-CG2 4.12Å; E85-V88 WeakPolarHBondContact O-CA 3.3Å; E85-V88 VanDerWaalsContact O-CB 3.32Å; E85-V88 WeakPolarHBondContact O-CB 3.19Å; E85-V88 PolarHBondContact O-N 2.78Å; V88-R90 PolarHBondContact O-N 2.65Å; V88-S91 PolarHBondContact O-N 3.03Å; V88-M92 HydrophobicContact CG1-CE 3.86Å; V88-M92 WeakPolarHBondContact O-CG 3.35Å; V88-M92 PolarHBondContact O-N 2.83Å; V88-M92 VanDerWaalsContact O-N 3.07Å
89L97.7Very high96.3Very high0 Ų047.5 Ų47.50%025%0.246CC..Hα-helixtrans-58.3-49.2175.6-57.8-179.9000111.3F23 S81 A84 E85 V86 S91 M92 Y93 V118 L121F23-L89 HydrophobicContact CD1-CD2 4.49Å; F23-L89 HydrophobicContact CE1-CD2 3.58Å; F23-L89 HydrophobicContact CZ-CD2 3.6Å; S81-L89 WeakPolarHBondContact O-CD2 3.43Å; A84-L89 HydrophobicContact CB-CD2 3.89Å; A84-L89 HydrophobicContact CB-CG 4.33Å; E85-L89 PolarHBondContact O-N 2.83Å; E85-L89 VanDerWaalsContact O-N 3.12Å; V86-L89 WeakPolarHBondContact O-CB 3.13Å; V86-L89 PolarHBondContact O-N 2.69Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 PolarHBondContact O-N 3.01Å; L89-M92 PolarHBondContact O-N 3.36Å; L89-Y93 HydrophobicContact CB-CE2 4.06Å; L89-Y93 WeakPolarHBondContact O-CB 3.3Å; L89-Y93 PolarHBondContact O-N 3.19Å; L89-V118 HydrophobicContact CD1-CG2 3.7Å; L89-L121 HydrophobicContact CB-CD2 3.78Å
90R97.9Very high95.9Very high65 Ų6550 Ų5025%0.24528%0.275CS..Hα-helixtrans-54.7-48.6176.3179.3-178.3-64.4-77.51.4111.7V86 V88 M92 Y93 Q94 L121 E124 Y125V86-R90 WeakPolarHBondContact O-CB 3.42Å; V86-R90 PolarHBondContact O-N 3.28Å; V88-R90 PolarHBondContact O-N 2.65Å; R90-M92 VanDerWaalsContact C-N 3.35Å; R90-M92 PolarHBondContact O-N 3.13Å; R90-Y93 PolarHBondContact O-N 2.84Å; R90-Q94 WeakPolarHBondContact O-CB 3.42Å; R90-Q94 PolarHBondContact O-N 2.95Å; R90-L121 HydrophobicContact CB-CD1 3.77Å; R90-L121 HydrophobicContact CB-CD2 4.19Å; R90-L121 HydrophobicContact CG-CD1 3.94Å; R90-L121 VanDerWaalsContact CZ-CD1 3.44Å; R90-E124 IonicContact CZ-OE1 2.81Å; R90-E124 IonicContact CZ-OE2 3.64Å; R90-E124 VanDerWaalsContact CZ-OE2 3.31Å; R90-E124 IonicContact NH1-OE1 3.85Å; R90-E124 IonicContact NH1-OE2 3.86Å; R90-E124 PolarHBondContact NH1-OE2 2.71Å; R90-E124 VanDerWaalsContact NH2-CD 3.3Å; R90-E124 IonicContact NH2-OE1 2.72Å; R90-E124 PolarHBondContact NH2-OE1 2.76Å; R90-E124 IonicContact NH2-OE2 3.12Å; R90-E124 PolarHBondContact NH2-OE2 3.32Å; R90-E124 VanDerWaalsContact NH2-OE2 3.12Å; R90-Y125 PolarHBondContact O-OH 3.04Å; R90-Y125 VanDerWaalsContact O-OH 3.1Å
91S96.6Very high95.7Very high64 Ų6454 Ų5445%0.44830%0.296SS..Hα-helixtrans-58.7-46.5178.8-176.20000111.7Q87 V88 L89 Q95Q87-S91 WeakPolarHBondContact O-CB 3.47Å; Q87-S91 PolarHBondContact O-N 2.91Å; V88-S91 PolarHBondContact O-N 3.03Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 PolarHBondContact O-N 3.01Å; S91-Q95 VanDerWaalsContact O-CG 3.3Å; S91-Q95 WeakPolarHBondContact O-CG 3.36Å; S91-Q95 PolarHBondContact O-N 3.46Å; S91-Q95 VanDerWaalsContact O-N 3.08Å; S91-Q95 PolarHBondContact O-NE2 2.83Å; S91-Q95 PolarHBondContact OG-NE2 2.81Å
92M96.1Very high95.7Very high42 Ų4254.5 Ų54.521%0.20730%0.298CS..Hα-helixtrans-68-43.9-179.6-67.1-170.8-17700112.8G21 F23 I55 F76 V88 L89 R90 Q95 A96G21-M92 VanDerWaalsContact O-CE 3.32Å; G21-M92 WeakPolarHBondContact O-CE 3.04Å; F23-M92 HydrophobicContact CE1-CE 4.24Å; F23-M92 HydrophobicContact CE1-SD 3.79Å; F23-M92 HydrophobicContact CE2-SD 4.02Å; F23-M92 HydrophobicContact CZ-CE 4.31Å; F23-M92 HydrophobicContact CZ-SD 3.28Å; F23-M92 WeakPolarHBondContact CZ-SD 3.5Å; I55-M92 HydrophobicContact CG1-CB 4.44Å; F76-M92 HydrophobicContact CE1-CB 4.13Å; F76-M92 HydrophobicContact CZ-CB 4.32Å; V88-M92 HydrophobicContact CG1-CE 3.86Å; V88-M92 WeakPolarHBondContact O-CG 3.35Å; V88-M92 PolarHBondContact O-N 2.83Å; V88-M92 VanDerWaalsContact O-N 3.07Å; L89-M92 PolarHBondContact O-N 3.36Å; R90-M92 VanDerWaalsContact C-N 3.35Å; R90-M92 PolarHBondContact O-N 3.13Å; M92-Q95 PolarHBondContact O-N 3.28Å; M92-A96 PolarHBondContact O-N 3.4Å
93Y97.4Very high95.6Very high0 Ų054.8 Ų54.80%030%0.3CS..Hα-helixtrans-67.5-38.9179.5-61.3-10.9000110.8F76 S81 L89 R90 Q95 A96 V97 L105 V107 L121 L122 Y125F76-Y93 HydrophobicContact CD1-CD1 4.36Å; F76-Y93 HydrophobicContact CD1-CE1 4.01Å; F76-Y93 AromaticContact CD2-CD1 3.86Å; F76-Y93 HydrophobicContact CD2-CD1 3.86Å; F76-Y93 AromaticContact CD2-CE1 3.87Å; F76-Y93 HydrophobicContact CD2-CE1 3.87Å; F76-Y93 HydrophobicContact CE1-CD1 4.05Å; F76-Y93 HydrophobicContact CE1-CE1 4.12Å; F76-Y93 AromaticContact CE2-CD1 3.54Å; F76-Y93 HydrophobicContact CE2-CD1 3.54Å; F76-Y93 HydrophobicContact CE2-CE1 4.01Å; F76-Y93 HydrophobicContact CG-CD1 4.27Å; F76-Y93 AromaticContact CG-CE1 3.87Å; F76-Y93 HydrophobicContact CG-CE1 3.87Å; F76-Y93 AromaticContact CZ-CD1 3.64Å; F76-Y93 HydrophobicContact CZ-CD1 3.64Å; F76-Y93 HydrophobicContact CZ-CE1 4.13Å; S81-Y93 PolarHBondContact O-OH 2.94Å; L89-Y93 HydrophobicContact CB-CE2 4.06Å; L89-Y93 WeakPolarHBondContact O-CB 3.3Å; L89-Y93 PolarHBondContact O-N 3.19Å; R90-Y93 PolarHBondContact O-N 2.84Å; Y93-Q95 PolarHBondContact O-N 3.05Å; Y93-A96 WeakPolarHBondContact O-CB 3.2Å; Y93-A96 PolarHBondContact O-N 3.24Å; Y93-A96 VanDerWaalsContact O-N 3.15Å; Y93-V97 WeakPolarHBondContact O-CG2 3.26Å; Y93-V97 PolarHBondContact O-N 2.87Å; Y93-L105 HydrophobicContact CD1-CD1 4.34Å; Y93-L105 HydrophobicContact CD1-CD2 4.32Å; Y93-L105 HydrophobicContact CD2-CD2 3.78Å; Y93-L105 HydrophobicContact CE2-CD2 4.28Å; Y93-L105 HydrophobicContact CG-CD1 4.45Å; Y93-L105 HydrophobicContact CG-CD2 3.81Å; Y93-V107 HydrophobicContact CE1-CG2 4.33Å; Y93-V107 HydrophobicContact CE2-CG2 4.12Å; Y93-V107 VanDerWaalsContact OH-CG1 3.29Å; Y93-V107 WeakPolarHBondContact OH-CG1 3.5Å; Y93-L121 HydrophobicContact CD2-CD2 3.97Å; Y93-L121 HydrophobicContact CD2-CG 4.47Å; Y93-L121 HydrophobicContact CE2-CD2 4.1Å; Y93-L122 HydrophobicContact CD2-CD2 4.27Å; Y93-L122 HydrophobicContact CE2-CD2 3.96Å; Y93-Y125 HydrophobicContact CD2-CE2 4.04Å; Y93-Y125 HydrophobicContact CG-CE2 4.38Å
94Q96.8Very high95.7Very high76 Ų7651.7 Ų51.736%0.35529%0.287SS..Hα-helixtrans-60.1-45.3174.4-172.760.945.800111.4R90 A96 V97 S98 Y125R90-Q94 WeakPolarHBondContact O-CB 3.42Å; R90-Q94 PolarHBondContact O-N 2.95Å; Q94-A96 PolarHBondContact O-N 2.82Å; Q94-V97 PolarHBondContact O-N 2.97Å; Q94-S98 PolarHBondContact NE2-OG 2.71Å; Q94-S98 VanDerWaalsContact O-CB 3.3Å; Q94-S98 WeakPolarHBondContact O-CB 3.34Å; Q94-S98 PolarHBondContact O-N 2.88Å; Q94-S98 PolarHBondContact O-OG 3.08Å; Q94-Y125 PolarHBondContact N-OH 2.78Å; Q94-Y125 VanDerWaalsContact N-OH 3.15Å
95Q95.7Very high95.8Very high80 Ų8049.8 Ų49.837%0.37427%0.271SS..Hα-helixtrans-57.9-38.2176.3-74.617453.800112.1I55 S91 M92 Y93 Q99I55-Q95 HydrophobicContact CB-CB 4.17Å; I55-Q95 HydrophobicContact CG2-CB 4.37Å; S91-Q95 VanDerWaalsContact O-CG 3.3Å; S91-Q95 WeakPolarHBondContact O-CG 3.36Å; S91-Q95 PolarHBondContact O-N 3.46Å; S91-Q95 VanDerWaalsContact O-N 3.08Å; S91-Q95 PolarHBondContact O-NE2 2.83Å; S91-Q95 PolarHBondContact OG-NE2 2.81Å; M92-Q95 PolarHBondContact O-N 3.28Å; Y93-Q95 PolarHBondContact O-N 3.05Å; Q95-Q99 PolarHBondContact O-NE2 3.03Å
96A96.8Very high95.9Very high0 Ų042.7 Ų42.70%024%0.238CC..Hα-helixtrans-67.8-54.7176.900000112.2L19 I55 L59 A74 F76 M92 Y93 Q94 S98 Q99 I102L19-A96 HydrophobicContact CD1-CB 4.49Å; I55-A96 HydrophobicContact CG2-CB 3.75Å; L59-A96 HydrophobicContact CD1-CB 4.11Å; A74-A96 HydrophobicContact CB-CB 3.64Å; F76-A96 HydrophobicContact CE2-CB 3.98Å; F76-A96 HydrophobicContact CZ-CB 4.14Å; M92-A96 PolarHBondContact O-N 3.4Å; Y93-A96 WeakPolarHBondContact O-CB 3.2Å; Y93-A96 PolarHBondContact O-N 3.24Å; Y93-A96 VanDerWaalsContact O-N 3.15Å; Q94-A96 PolarHBondContact O-N 2.82Å; A96-S98 PolarHBondContact O-N 3.24Å; A96-Q99 WeakPolarHBondContact O-CB 3.47Å; A96-Q99 WeakPolarHBondContact O-CG 3.32Å; A96-Q99 PolarHBondContact O-N 2.78Å; A96-I102 WeakPolarHBondContact O-CG1 3.39Å
97V95.5Very high95.9Very high3 Ų341.1 Ų41.12%0.01823%0.228CC..Hα-helixtrans-72.3-16.4-173.8-58.20000113.7Y93 Q94 Q99 I102 Y125 Y130Y93-V97 WeakPolarHBondContact O-CG2 3.26Å; Y93-V97 PolarHBondContact O-N 2.87Å; Q94-V97 PolarHBondContact O-N 2.97Å; V97-Q99 PolarHBondContact O-N 2.81Å; V97-I102 HydrophobicContact CG1-CG2 4.5Å; V97-Y125 HydrophobicContact CG1-CD1 4.39Å; V97-Y125 HydrophobicContact CG2-CD1 3.91Å; V97-Y125 HydrophobicContact CG2-CE1 3.67Å; V97-Y130 HydrophobicContact CB-CD1 4.31Å; V97-Y130 HydrophobicContact CB-CE1 3.78Å; V97-Y130 HydrophobicContact CB-CE2 4.05Å; V97-Y130 HydrophobicContact CG1-CD1 4.36Å; V97-Y130 HydrophobicContact CG1-CE1 4.33Å; V97-Y130 HydrophobicContact CG2-CE2 4.08Å; V97-Y130 PolarHBondContact O-OH 2.94Å
98S93.5Very high95.9Very high71 Ų7135.5 Ų35.550%0.49720%0.204SC..THydrogen-bonded Turntrans-75.2-8.1174.4-550000113.4Q94 A96Q94-S98 PolarHBondContact NE2-OG 2.71Å; Q94-S98 VanDerWaalsContact O-CB 3.3Å; Q94-S98 WeakPolarHBondContact O-CB 3.34Å; Q94-S98 PolarHBondContact O-N 2.88Å; Q94-S98 PolarHBondContact O-OG 3.08Å; A96-S98 PolarHBondContact O-N 3.24Å
99Q93.7Very high96Very high75 Ų7532.7 Ų32.735%0.3519%0.187SC..SBendtrans-78.2131.3175.4-57.9-54.4-52.100110.5L59 Q95 A96 V97 N101 I102L59-Q99 HydrophobicContact CD1-CB 4.35Å; L59-Q99 HydrophobicContact CD1-CG 3.65Å; Q95-Q99 PolarHBondContact O-NE2 3.03Å; A96-Q99 WeakPolarHBondContact O-CB 3.47Å; A96-Q99 WeakPolarHBondContact O-CG 3.32Å; A96-Q99 PolarHBondContact O-N 2.78Å; V97-Q99 PolarHBondContact O-N 2.81Å; Q99-N101 PolarHBondContact O-N 3.15Å; Q99-I102 HydrophobicContact CB-CG1 3.72Å; Q99-I102 WeakPolarHBondContact O-CB 3.2Å; Q99-I102 PolarHBondContact O-N 3.09Å
100A84.6Confident96Very high89 Ų8932.9 Ų32.974%0.73619%0.188SC*.THydrogen-bonded Turntrans-54.9-29.5-167.600000115.8
101N92.4Very high96Very high85 Ų8529.9 Ų29.946%0.45518%0.176SC..THydrogen-bonded Turntrans-96.63-176.3-65.1-28.5000113.4K70 R71 Y72 Q99K70-N101 WeakPolarHBondContact O-CB 3.46Å; R71-N101 CarbonylContact C-O 3.6Å; R71-N101 VanDerWaalsContact CA-O 3.3Å; R71-N101 WeakPolarHBondContact CA-O 3.39Å; Y72-N101 HydrophobicContact CD2-CB 3.77Å; Y72-N101 HydrophobicContact CE2-CB 3.92Å; Y72-N101 PolarHBondContact N-O 3.48Å; Q99-N101 PolarHBondContact O-N 3.15Å
102I95.8Very high96Very high11 Ų1129 Ų296%0.05617%0.167CC..EExtended strand (participates in β ladder)trans-86.9126.5179.4-58-54.2000109.9L59 Y72 A74 A96 V97 Q99 G104L59-I102 HydrophobicContact CD1-CD1 4.29Å; L59-I102 HydrophobicContact CD1-CG1 4.24Å; L59-I102 HydrophobicContact CD2-CD1 4Å; Y72-I102 CarbonylContact O-C 3.51Å; Y72-I102 WeakPolarHBondContact O-CA 3.28Å; A74-I102 HydrophobicContact CB-CG2 4.22Å; A96-I102 WeakPolarHBondContact O-CG1 3.39Å; V97-I102 HydrophobicContact CG1-CG2 4.5Å; Q99-I102 HydrophobicContact CB-CG1 3.72Å; Q99-I102 WeakPolarHBondContact O-CB 3.2Å; Q99-I102 PolarHBondContact O-N 3.09Å; I102-G104 VanDerWaalsContact CG2-O 3.28Å; I102-G104 WeakPolarHBondContact CG2-O 3.32Å
103V96.9Very high96.1Very high13 Ų1327.5 Ų27.58%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-107.4-1.5178.2-61.40000112.8Y10 V14 R71 Y72 L73 E131Y10-V103 HydrophobicContact CD1-CG1 4.42Å; Y10-V103 HydrophobicContact CE1-CB 3.72Å; Y10-V103 HydrophobicContact CE1-CG1 3.97Å; Y10-V103 HydrophobicContact CE1-CG2 3.9Å; Y10-V103 HydrophobicContact CE2-CG2 4.42Å; V14-V103 HydrophobicContact CG1-CG2 3.73Å; V14-V103 HydrophobicContact CG2-CG2 4.47Å; R71-V103 HydrophobicContact CB-CG1 3.84Å; R71-V103 HydrophobicContact CB-CG2 4.47Å; R71-V103 HydrophobicContact CG-CG1 3.92Å; Y72-V103 WeakPolarHBondContact O-CG2 3.48Å; Y72-V103 PolarHBondContact O-N 3.25Å; L73-V103 HydrophobicContact CD2-CG2 3.93Å; L73-V103 HydrophobicContact CG-CG2 4.49Å; V103-E131 PolarHBondContact O-N 3.42Å
104G97.7Very high96.2Very high0 Ų028.1 Ų28.10%016%0.164CC..EExtended strand (participates in β ladder)trans170.1-175.5-179.400000115.2L73 A74 I102 E131L73-G104 WeakPolarHBondContact CA-O 3.35Å; L73-G104 VanDerWaalsContact CD2-CA 3.46Å; A74-G104 PolarHBondContact N-O 3.31Å; I102-G104 VanDerWaalsContact CG2-O 3.28Å; I102-G104 WeakPolarHBondContact CG2-O 3.32Å; G104-E131 CarbonylContact C-O 3.29Å; G104-E131 WeakPolarHBondContact CA-O 3.44Å
105L97.8Very high96.2Very high0 Ų028.2 Ų28.20%017%0.171CC..EExtended strand (participates in β ladder)trans-128.6135.5-169.8-171.471.1000110.1A74 F76 Y93 V107 L122 Y125 E131 V132 W133A74-L105 HydrophobicContact CB-CD1 4.18Å; A74-L105 CarbonylContact O-C 3.56Å; A74-L105 WeakPolarHBondContact O-CA 3.28Å; F76-L105 HydrophobicContact CD2-CD1 3.53Å; F76-L105 HydrophobicContact CE2-CD1 3.47Å; F76-L105 VanDerWaalsContact CE2-CD1 3.47Å; Y93-L105 HydrophobicContact CD1-CD1 4.34Å; Y93-L105 HydrophobicContact CD1-CD2 4.32Å; Y93-L105 HydrophobicContact CD2-CD2 3.78Å; Y93-L105 HydrophobicContact CE2-CD2 4.28Å; Y93-L105 HydrophobicContact CG-CD1 4.45Å; Y93-L105 HydrophobicContact CG-CD2 3.81Å; L105-V107 HydrophobicContact CD1-CG2 4.35Å; L105-V107 HydrophobicContact CD2-CG2 3.53Å; L105-V107 HydrophobicContact CG-CG2 3.66Å; L105-L122 HydrophobicContact CD2-CD2 3.81Å; L105-Y125 HydrophobicContact CD2-CD2 4.43Å; L105-E131 PolarHBondContact N-O 3.48Å; L105-V132 CarbonylContact O-C 3.18Å; L105-V132 WeakPolarHBondContact O-CA 3.18Å; L105-W133 PolarHBondContact O-N 3.18Å
106C98.3Very high96.3Very high0 Ų028.4 Ų28.40%018%0.175CC..EExtended strand (participates in β ladder)trans-117.5128.8163.8-66.80000107.6K16 A74 Y75 F76 W133K16-C106 VanDerWaalsContact CE-SG 3.52Å; K16-C106 PolarHBondContact NZ-SG 3.19Å; K16-C106 VanDerWaalsContact NZ-SG 3.37Å; A74-C106 PolarHBondContact O-N 2.67Å; Y75-C106 CarbonylContact C-O 3.4Å; Y75-C106 WeakPolarHBondContact CA-O 3.32Å; Y75-C106 HydrophobicContact CD2-CB 3.34Å; Y75-C106 WeakPolarHBondContact CD2-O 2.95Å; Y75-C106 HydrophobicContact CE2-CB 4.12Å; Y75-C106 HydrophobicContact CG-CB 3.92Å; F76-C106 PolarHBondContact N-O 2.9Å; C106-W133 WeakPolarHBondContact CA-O 3.45Å; C106-W133 HydrophobicContact CB-CB 4.48Å
107V98.5Very high96.4Very high0 Ų030.8 Ų30.80%019%0.194CC..EExtended strand (participates in β ladder)trans-119.6105.4179.7-176.50000109.5T82 Y93 L105 L122 W133 E135T82-V107 HydrophobicContact CG2-CG1 3.55Å; Y93-V107 HydrophobicContact CE1-CG2 4.33Å; Y93-V107 HydrophobicContact CE2-CG2 4.12Å; Y93-V107 VanDerWaalsContact OH-CG1 3.29Å; Y93-V107 WeakPolarHBondContact OH-CG1 3.5Å; L105-V107 HydrophobicContact CD1-CG2 4.35Å; L105-V107 HydrophobicContact CD2-CG2 3.53Å; L105-V107 HydrophobicContact CG-CG2 3.66Å; V107-L122 HydrophobicContact CG2-CD2 3.78Å; V107-W133 PolarHBondContact N-O 2.94Å; V107-E135 PolarHBondContact O-N 3.35Å
108G97.9Very high96.5Very high6 Ų630.8 Ų30.86%0.06219%0.194CC..EExtended strand (participates in β ladder)trans-80.6120.817300000111F76 S81 E135F76-G108 WeakPolarHBondContact O-CA 3.46Å; F76-G108 PolarHBondContact O-N 2.73Å; S81-G108 WeakPolarHBondContact CB-O 3.28Å; S81-G108 PolarHBondContact N-O 3.12Å; S81-G108 VanDerWaalsContact N-O 3.11Å; S81-G108 PolarHBondContact OG-O 2.79Å; S81-G108 VanDerWaalsContact OG-O 3.04Å; G108-E135 WeakPolarHBondContact CA-O 3.31Å
109T98.2Very high96.8Very high7 Ų727.4 Ų27.44%0.04317%0.171CC..EExtended strand (participates in β ladder)trans-152.5179.7-178.6-163.90000113T80 T82 V114 L134 E135 L136 G137T80-T109 WeakPolarHBondContact CG2-OG1 3.42Å; T82-T109 HydrophobicContact CG2-CG2 3.98Å; T82-T109 WeakPolarHBondContact OG1-CB 3.16Å; T82-T109 PolarHBondContact OG1-OG1 3.3Å; T109-V114 HydrophobicContact CG2-CG2 3.54Å; T109-L134 HydrophobicContact CG2-CD1 3.75Å; T109-E135 PolarHBondContact N-O 2.87Å; T109-L136 HydrophobicContact CG2-CD2 3.97Å; T109-G137 PolarHBondContact O-N 3.05Å
110R97.7Very high97Very high4 Ų427.3 Ų27.32%0.01517%0.172CC..  trans-92.3143.9172.1-53.7165.952107-8.3110T80 D112 C113 V114 G152T80-R110 HydrophobicContact CG2-CB 4.22Å; T80-R110 HydrophobicContact CG2-CG 3.91Å; T80-R110 WeakPolarHBondContact OG1-CD 3.45Å; T80-R110 WeakPolarHBondContact OG1-CG 3.18Å; R110-D112 VanDerWaalsContact C-N 3.26Å; R110-D112 WeakPolarHBondContact CB-OD1 3.46Å; R110-D112 IonicContact CZ-OD1 3.71Å; R110-D112 IonicContact CZ-OD2 3.45Å; R110-D112 IonicContact NE-OD1 3.24Å; R110-D112 PolarHBondContact NE-OD1 2.9Å; R110-D112 IonicContact NE-OD2 3.77Å; R110-D112 PolarHBondContact NE-OD2 3.11Å; R110-D112 IonicContact NH2-OD1 3.36Å; R110-D112 IonicContact NH2-OD2 2.74Å; R110-D112 PolarHBondContact NH2-OD2 3.27Å; R110-D112 PolarHBondContact O-N 2.83Å; R110-C113 HydrophobicContact CB-CB 4.32Å; R110-C113 PolarHBondContact O-N 3.2Å; R110-V114 WeakPolarHBondContact O-CG2 3.44Å; R110-G152 VanDerWaalsContact NH2-C 3.34Å; R110-G152 PolarHBondContact NH2-O 3.04Å
111P98.2Very high97.7Very high1 Ų123.1 Ų23.11%0.00614%0.138CC..G310 helixtrans-49.8-37.7174.1-32.737.4000116.6C113 L136 H153 C157 Y158 T161P111-C113 PolarHBondContact O-N 3.39Å; P111-L136 HydrophobicContact CG-CB 4.28Å; P111-H153 WeakPolarHBondContact CD-NE2 3.48Å; P111-C157 VanDerWaalsContact C-SG 3.59Å; P111-Y158 HydrophobicContact CG-CD2 4.17Å; P111-T161 PolarHBondContact O-OG1 2.93Å
112D97.4Very high98Very high46 Ų4619 Ų1925%0.24612%0.116CC..G310 helixtrans-79-2.2-178.558.8-24.6000113.6I32 R110 H153 C157I32-D112 WeakPolarHBondContact CD1-OD2 3.32Å; R110-D112 VanDerWaalsContact C-N 3.26Å; R110-D112 WeakPolarHBondContact CB-OD1 3.46Å; R110-D112 IonicContact CZ-OD1 3.71Å; R110-D112 IonicContact CZ-OD2 3.45Å; R110-D112 IonicContact NE-OD1 3.24Å; R110-D112 PolarHBondContact NE-OD1 2.9Å; R110-D112 IonicContact NE-OD2 3.77Å; R110-D112 PolarHBondContact NE-OD2 3.11Å; R110-D112 IonicContact NH2-OD1 3.36Å; R110-D112 IonicContact NH2-OD2 2.74Å; R110-D112 PolarHBondContact NH2-OD2 3.27Å; R110-D112 PolarHBondContact O-N 2.83Å; D112-H153 HydrophobicContact CB-CB 3.9Å; D112-H153 IonicContact OD1-CD2 3.81Å; D112-C157 VanDerWaalsContact CA-SG 3.51Å; D112-C157 PolarHBondContact N-SG 2.59Å
113C97.8Very high98.1Very high10 Ų1019.2 Ų19.27%0.06812%0.118CC..G310 helixtrans-115.429-175.2-59.70000112.4P26 T80 T82 R110 P111 P115P26-C113 VanDerWaalsContact CG-SG 3.52Å; T80-C113 HydrophobicContact CG2-CB 3.4Å; T80-C113 VanDerWaalsContact CG2-CB 3.4Å; T80-C113 VanDerWaalsContact CG2-SG 3.59Å; T82-C113 WeakPolarHBondContact CB-O 3.34Å; T82-C113 PolarHBondContact OG1-O 3.25Å; R110-C113 HydrophobicContact CB-CB 4.32Å; R110-C113 PolarHBondContact O-N 3.2Å; P111-C113 PolarHBondContact O-N 3.39Å; C113-P115 VanDerWaalsContact C-CD 3.49Å; C113-P115 WeakPolarHBondContact O-CD 3.43Å
114V98.2Very high98.2Very high14 Ų1422.1 Ų22.19%0.08513%0.131CC..  trans-125.871.8-176.3-165.30000110.1T109 R110 V118 L119 L134 L136 T161T109-V114 HydrophobicContact CG2-CG2 3.54Å; R110-V114 WeakPolarHBondContact O-CG2 3.44Å; V114-V118 HydrophobicContact CG1-CB 4.35Å; V114-V118 HydrophobicContact CG1-CG1 3.97Å; V114-L119 HydrophobicContact CG1-CD2 3.45Å; V114-L119 VanDerWaalsContact CG1-CD2 3.45Å; V114-L119 HydrophobicContact CG1-CG 3.85Å; V114-L134 HydrophobicContact CG1-CD1 4.49Å; V114-L134 HydrophobicContact CG1-CD2 4.11Å; V114-L134 HydrophobicContact CG2-CD1 4.41Å; V114-L136 HydrophobicContact CG2-CD2 4.1Å; V114-T161 HydrophobicContact CB-CG2 3.67Å; V114-T161 HydrophobicContact CG1-CG2 4.12Å; V114-T161 HydrophobicContact CG2-CG2 3.86Å
115P97.4Very high98.2Very high77 Ų7722.1 Ų22.150%0.513%0.131SC..  trans-65163.5173.930.2-36000111C113 A117 V118 L119C113-P115 VanDerWaalsContact C-CD 3.49Å; C113-P115 WeakPolarHBondContact O-CD 3.43Å; P115-A117 PolarHBondContact O-N 2.9Å; P115-A117 VanDerWaalsContact O-N 3.16Å; P115-V118 HydrophobicContact CG-CB 4.29Å; P115-V118 HydrophobicContact CG-CG2 3.79Å; P115-V118 WeakPolarHBondContact O-CA 3.36Å; P115-V118 WeakPolarHBondContact O-CB 3.42Å; P115-V118 PolarHBondContact O-N 2.83Å; P115-L119 PolarHBondContact O-N 3.34Å
116D98.3Very high98.2Very high85 Ų8525.1 Ų25.146%0.45514%0.144SC..Hα-helixtrans-53-40.1-179.4-74.6-41000112.5V118 L119 D120 R168D116-V118 PolarHBondContact O-N 2.88Å; D116-L119 WeakPolarHBondContact O-CA 3.44Å; D116-L119 WeakPolarHBondContact O-CB 3.37Å; D116-L119 PolarHBondContact O-N 2.88Å; D116-D120 WeakPolarHBondContact O-CB 3.39Å; D116-D120 PolarHBondContact O-N 2.78Å; D116-R168 IonicContact OD1-CZ 3.45Å; D116-R168 IonicContact OD1-NH1 3.32Å; D116-R168 IonicContact OD1-NH2 2.76Å; D116-R168 PolarHBondContact OD1-NH2 2.83Å
117A98.3Very high98.2Very high50 Ų5030.7 Ų30.741%0.41317%0.173SC..Hα-helixtrans-58.6-31.2176.700000113.8V86 P115 L121V86-A117 HydrophobicContact CB-CB 4.43Å; V86-A117 HydrophobicContact CG2-CB 4.22Å; V86-A117 WeakPolarHBondContact CG2-O 3.38Å; P115-A117 PolarHBondContact O-N 2.9Å; P115-A117 VanDerWaalsContact O-N 3.16Å; A117-L121 WeakPolarHBondContact O-CB 3.41Å; A117-L121 PolarHBondContact O-N 3.37Å; A117-L121 VanDerWaalsContact O-N 3.09Å
118V98.5Very high98.2Very high3 Ų335.8 Ų35.82%0.01820%0.197CC..Hα-helixtrans-74.6-42.1173.9169.70000110.5T82 L89 V114 P115 D116 D120 L121 L122T82-V118 HydrophobicContact CG2-CG1 3.6Å; L89-V118 HydrophobicContact CD1-CG2 3.7Å; V114-V118 HydrophobicContact CG1-CB 4.35Å; V114-V118 HydrophobicContact CG1-CG1 3.97Å; P115-V118 HydrophobicContact CG-CB 4.29Å; P115-V118 HydrophobicContact CG-CG2 3.79Å; P115-V118 WeakPolarHBondContact O-CA 3.36Å; P115-V118 WeakPolarHBondContact O-CB 3.42Å; P115-V118 PolarHBondContact O-N 2.83Å; D116-V118 PolarHBondContact O-N 2.88Å; V118-D120 VanDerWaalsContact C-N 3.33Å; V118-L121 PolarHBondContact O-N 2.9Å; V118-L122 HydrophobicContact CG1-CD1 4.37Å; V118-L122 WeakPolarHBondContact O-CG 3.28Å; V118-L122 PolarHBondContact O-N 2.92Å
119L98.7Very high98.1Very high0 Ų038.6 Ų38.60%023%0.226CC..Hα-helixtrans-59.9-46.8175.5-64.7177.3000110.8V114 P115 D116 L121 L122 C123 L134 L164 A165 L170V114-L119 HydrophobicContact CG1-CD2 3.45Å; V114-L119 VanDerWaalsContact CG1-CD2 3.45Å; V114-L119 HydrophobicContact CG1-CG 3.85Å; P115-L119 PolarHBondContact O-N 3.34Å; D116-L119 WeakPolarHBondContact O-CA 3.44Å; D116-L119 WeakPolarHBondContact O-CB 3.37Å; D116-L119 PolarHBondContact O-N 2.88Å; L119-L121 PolarHBondContact O-N 2.94Å; L119-L122 PolarHBondContact O-N 3.37Å; L119-L122 VanDerWaalsContact O-N 3.17Å; L119-C123 PolarHBondContact O-N 2.81Å; L119-C123 PolarHBondContact O-SG 2.88Å; L119-C123 VanDerWaalsContact O-SG 3.35Å; L119-L134 HydrophobicContact CD2-CD2 4.09Å; L119-L164 HydrophobicContact CD1-CB 3.78Å; L119-A165 HydrophobicContact CD2-CB 3.81Å; L119-L170 HydrophobicContact CD2-CD1 4.07Å
120D98.5Very high98.1Very high72 Ų7241 Ų4139%0.38524%0.235SC..Hα-helixtrans-63.1-43-179.6-60.7-17.4000110.6D116 V118 L122 C123 E124 R168D116-D120 WeakPolarHBondContact O-CB 3.39Å; D116-D120 PolarHBondContact O-N 2.78Å; V118-D120 VanDerWaalsContact C-N 3.33Å; D120-L122 VanDerWaalsContact C-N 3.35Å; D120-L122 PolarHBondContact O-N 2.95Å; D120-C123 WeakPolarHBondContact O-CB 3.49Å; D120-C123 PolarHBondContact O-N 2.97Å; D120-C123 VanDerWaalsContact O-N 3.15Å; D120-E124 WeakPolarHBondContact O-CG 3.4Å; D120-E124 PolarHBondContact O-N 2.98Å; D120-R168 IonicContact OD1-CZ 3.76Å; D120-R168 IonicContact OD1-NE 3.71Å; D120-R168 PolarHBondContact OD1-NE 2.84Å; D120-R168 VanDerWaalsContact OD1-NE 3.09Å; D120-R168 IonicContact OD1-NH2 2.83Å
121L98.7Very high98.1Very high1 Ų141.6 Ų41.61%0.00524%0.238CC..Hα-helixtrans-57.4-44.3172.9173.764.1000112.5V86 L89 R90 Y93 A117 V118 L119 C123 E124 Y125V86-L121 HydrophobicContact CG2-CB 4.15Å; V86-L121 HydrophobicContact CG2-CD2 3.95Å; L89-L121 HydrophobicContact CB-CD2 3.78Å; R90-L121 HydrophobicContact CB-CD1 3.77Å; R90-L121 HydrophobicContact CB-CD2 4.19Å; R90-L121 HydrophobicContact CG-CD1 3.94Å; R90-L121 VanDerWaalsContact CZ-CD1 3.44Å; Y93-L121 HydrophobicContact CD2-CD2 3.97Å; Y93-L121 HydrophobicContact CD2-CG 4.47Å; Y93-L121 HydrophobicContact CE2-CD2 4.1Å; A117-L121 WeakPolarHBondContact O-CB 3.41Å; A117-L121 PolarHBondContact O-N 3.37Å; A117-L121 VanDerWaalsContact O-N 3.09Å; V118-L121 PolarHBondContact O-N 2.9Å; L119-L121 PolarHBondContact O-N 2.94Å; L121-C123 VanDerWaalsContact C-N 3.32Å; L121-E124 PolarHBondContact O-N 2.8Å; L121-Y125 HydrophobicContact CD1-CE2 3.71Å; L121-Y125 HydrophobicContact CG-CE2 4.04Å; L121-Y125 VanDerWaalsContact O-CD2 3.25Å; L121-Y125 WeakPolarHBondContact O-CD2 3.25Å
122L98.7Very high98.1Very high0 Ų041.8 Ų41.80%024%0.239CC..Hα-helixtrans-67.2-35.2178.2-67.5-179.5000111.9Y93 L105 V107 V118 L119 D120 E124 Y125 K126 V132 L134 L170Y93-L122 HydrophobicContact CD2-CD2 4.27Å; Y93-L122 HydrophobicContact CE2-CD2 3.96Å; L105-L122 HydrophobicContact CD2-CD2 3.81Å; V107-L122 HydrophobicContact CG2-CD2 3.78Å; V118-L122 HydrophobicContact CG1-CD1 4.37Å; V118-L122 WeakPolarHBondContact O-CG 3.28Å; V118-L122 PolarHBondContact O-N 2.92Å; L119-L122 PolarHBondContact O-N 3.37Å; L119-L122 VanDerWaalsContact O-N 3.17Å; D120-L122 VanDerWaalsContact C-N 3.35Å; D120-L122 PolarHBondContact O-N 2.95Å; L122-E124 VanDerWaalsContact C-N 3.35Å; L122-Y125 PolarHBondContact O-N 2.84Å; L122-K126 PolarHBondContact O-N 3.05Å; L122-K126 VanDerWaalsContact O-N 3.1Å; L122-V132 HydrophobicContact CB-CG1 4.1Å; L122-V132 HydrophobicContact CD2-CG1 4.25Å; L122-L134 HydrophobicContact CD1-CB 4.5Å; L122-L134 HydrophobicContact CD1-CD1 4.05Å; L122-L170 HydrophobicContact CB-CD1 3.92Å; L122-L170 HydrophobicContact CB-CD2 3.93Å
123C98.6Very high98.1Very high14 Ų1439.7 Ų39.710%0.09523%0.228CC..Hα-helixtrans-63.4-39.4174-73.20000112.1L119 D120 L121 Y125 K126 D127 R168L119-C123 PolarHBondContact O-N 2.81Å; L119-C123 PolarHBondContact O-SG 2.88Å; L119-C123 VanDerWaalsContact O-SG 3.35Å; D120-C123 WeakPolarHBondContact O-CB 3.49Å; D120-C123 PolarHBondContact O-N 2.97Å; D120-C123 VanDerWaalsContact O-N 3.15Å; L121-C123 VanDerWaalsContact C-N 3.32Å; C123-Y125 VanDerWaalsContact C-N 3.26Å; C123-Y125 PolarHBondContact O-N 3.4Å; C123-K126 CarbonylContact O-C 3.59Å; C123-K126 WeakPolarHBondContact O-CA 3.33Å; C123-K126 WeakPolarHBondContact O-CB 3.4Å; C123-K126 PolarHBondContact O-N 3.05Å; C123-D127 WeakPolarHBondContact O-CB 3.49Å; C123-D127 PolarHBondContact O-N 2.86Å; C123-R168 VanDerWaalsContact SG-CB 3.52Å
124E98.5Very high98.2Very high74 Ų7439.2 Ų39.235%0.34623%0.225SC..Hα-helixtrans-57.6-39.1176.4-69174.7-13900112.5R90 D120 L121 L122 Q128R90-E124 IonicContact CZ-OE1 2.81Å; R90-E124 IonicContact CZ-OE2 3.64Å; R90-E124 VanDerWaalsContact CZ-OE2 3.31Å; R90-E124 IonicContact NH1-OE1 3.85Å; R90-E124 IonicContact NH1-OE2 3.86Å; R90-E124 PolarHBondContact NH1-OE2 2.71Å; R90-E124 VanDerWaalsContact NH2-CD 3.3Å; R90-E124 IonicContact NH2-OE1 2.72Å; R90-E124 PolarHBondContact NH2-OE1 2.76Å; R90-E124 IonicContact NH2-OE2 3.12Å; R90-E124 PolarHBondContact NH2-OE2 3.32Å; R90-E124 VanDerWaalsContact NH2-OE2 3.12Å; D120-E124 WeakPolarHBondContact O-CG 3.4Å; D120-E124 PolarHBondContact O-N 2.98Å; L121-E124 PolarHBondContact O-N 2.8Å; L122-E124 VanDerWaalsContact C-N 3.35Å; E124-Q128 VanDerWaalsContact O-CG 3.28Å; E124-Q128 WeakPolarHBondContact O-CG 3.31Å; E124-Q128 PolarHBondContact O-N 2.81Å; E124-Q128 PolarHBondContact O-NE2 3.31Å
125Y98.4Very high98.2Very high1 Ų138.9 Ų38.90%0.00422%0.222CC..Hα-helixtrans-70.9-40.9174.1-66.3-65.1000112.1R90 Y93 Q94 V97 L105 L121 L122 C123 D127 Q128 Y130R90-Y125 PolarHBondContact O-OH 3.04Å; R90-Y125 VanDerWaalsContact O-OH 3.1Å; Y93-Y125 HydrophobicContact CD2-CE2 4.04Å; Y93-Y125 HydrophobicContact CG-CE2 4.38Å; Q94-Y125 PolarHBondContact N-OH 2.78Å; Q94-Y125 VanDerWaalsContact N-OH 3.15Å; V97-Y125 HydrophobicContact CG1-CD1 4.39Å; V97-Y125 HydrophobicContact CG2-CD1 3.91Å; V97-Y125 HydrophobicContact CG2-CE1 3.67Å; L105-Y125 HydrophobicContact CD2-CD2 4.43Å; L121-Y125 HydrophobicContact CD1-CE2 3.71Å; L121-Y125 HydrophobicContact CG-CE2 4.04Å; L121-Y125 VanDerWaalsContact O-CD2 3.25Å; L121-Y125 WeakPolarHBondContact O-CD2 3.25Å; L122-Y125 PolarHBondContact O-N 2.84Å; C123-Y125 VanDerWaalsContact C-N 3.26Å; C123-Y125 PolarHBondContact O-N 3.4Å; Y125-D127 VanDerWaalsContact C-N 3.27Å; Y125-D127 PolarHBondContact O-N 2.91Å; Y125-Q128 WeakPolarHBondContact O-CB 3.13Å; Y125-Q128 PolarHBondContact O-N 3.25Å; Y125-Y130 HydrophobicContact CD1-CD2 4.33Å; Y125-Y130 WeakPolarHBondContact O-CB 3.42Å; Y125-Y130 WeakPolarHBondContact O-CD2 3.2Å; Y125-Y130 PolarHBondContact O-N 3.13Å
126K98.2Very high98.3Very high63 Ų6335.2 Ų35.227%0.27420%0.198SC..Hα-helixtrans-56.8-44.8174.3178.4-172.862.966.30110.9L122 C123 Q128 G129 V132 R168 G169 L170L122-K126 PolarHBondContact O-N 3.05Å; L122-K126 VanDerWaalsContact O-N 3.1Å; C123-K126 CarbonylContact O-C 3.59Å; C123-K126 WeakPolarHBondContact O-CA 3.33Å; C123-K126 WeakPolarHBondContact O-CB 3.4Å; C123-K126 PolarHBondContact O-N 3.05Å; K126-Q128 VanDerWaalsContact C-N 3.25Å; K126-Q128 PolarHBondContact O-N 3.49Å; K126-G129 WeakPolarHBondContact O-CA 3.48Å; K126-G129 PolarHBondContact O-N 2.9Å; K126-V132 HydrophobicContact CB-CB 4.42Å; K126-V132 HydrophobicContact CB-CG2 4.12Å; K126-R168 VanDerWaalsContact CE-O 3.27Å; K126-R168 WeakPolarHBondContact CE-O 3.44Å; K126-G169 WeakPolarHBondContact CD-O 3.3Å; K126-L170 HydrophobicContact CB-CD2 4.33Å; K126-L170 HydrophobicContact CD-CD2 4.28Å
127D98.1Very high98.3Very high116 Ų11631.5 Ų31.562%0.6218%0.18SC*.Hα-helixtrans-71-22.7-176.3-64.9-16.9000112.4C123 Y125 G129C123-D127 WeakPolarHBondContact O-CB 3.49Å; C123-D127 PolarHBondContact O-N 2.86Å; Y125-D127 VanDerWaalsContact C-N 3.27Å; Y125-D127 PolarHBondContact O-N 2.91Å; D127-G129 PolarHBondContact O-N 2.86Å
128Q97.5Very high98.3Very high108 Ų10829.1 Ų29.151%0.50516%0.16SC..THydrogen-bonded Turntrans-75.5-1.8167-70168.153.400113.5E124 Y125 K126 Y130E124-Q128 VanDerWaalsContact O-CG 3.28Å; E124-Q128 WeakPolarHBondContact O-CG 3.31Å; E124-Q128 PolarHBondContact O-N 2.81Å; E124-Q128 PolarHBondContact O-NE2 3.31Å; Y125-Q128 WeakPolarHBondContact O-CB 3.13Å; Y125-Q128 PolarHBondContact O-N 3.25Å; K126-Q128 VanDerWaalsContact C-N 3.25Å; K126-Q128 PolarHBondContact O-N 3.49Å; Q128-Y130 HydrophobicContact CB-CD2 3.9Å; Q128-Y130 HydrophobicContact CB-CE2 4.04Å
129G96.6Very high98.3Very high65 Ų6529.2 Ų29.267%0.6716%0.16SC*.THydrogen-bonded Turntrans93.68.8177.800000115K126 D127K126-G129 WeakPolarHBondContact O-CA 3.48Å; K126-G129 PolarHBondContact O-N 2.9Å; D127-G129 PolarHBondContact O-N 2.86Å
130Y97.6Very high98.3Very high58 Ų5829.2 Ų29.223%0.22716%0.16CC..  trans-76.2144.4175.7-69.2-72.7000111.9V97 Y125 Q128 V132V97-Y130 HydrophobicContact CB-CD1 4.31Å; V97-Y130 HydrophobicContact CB-CE1 3.78Å; V97-Y130 HydrophobicContact CB-CE2 4.05Å; V97-Y130 HydrophobicContact CG1-CD1 4.36Å; V97-Y130 HydrophobicContact CG1-CE1 4.33Å; V97-Y130 HydrophobicContact CG2-CE2 4.08Å; V97-Y130 PolarHBondContact O-OH 2.94Å; Y125-Y130 HydrophobicContact CD1-CD2 4.33Å; Y125-Y130 WeakPolarHBondContact O-CB 3.42Å; Y125-Y130 WeakPolarHBondContact O-CD2 3.2Å; Y125-Y130 PolarHBondContact O-N 3.13Å; Q128-Y130 HydrophobicContact CB-CD2 3.9Å; Q128-Y130 HydrophobicContact CB-CE2 4.04Å; Y130-V132 PolarHBondContact O-N 3.19Å
131E97.3Very high98.3Very high15 Ų1525.8 Ų25.87%0.0714%0.142CC..EExtended strand (participates in β ladder)trans-72.5108.9168.2173.684.5171.600109.4R9 Y10 L73 V103 G104 L105 W133 K171R9-E131 IonicContact CZ-OE1 3.66Å; R9-E131 IonicContact CZ-OE2 3.66Å; R9-E131 VanDerWaalsContact NH1-CD 3.32Å; R9-E131 IonicContact NH1-OE1 3.81Å; R9-E131 PolarHBondContact NH1-OE1 3.33Å; R9-E131 IonicContact NH1-OE2 2.78Å; R9-E131 PolarHBondContact NH1-OE2 2.96Å; R9-E131 IonicContact NH2-OE1 2.71Å; R9-E131 PolarHBondContact NH2-OE1 2.91Å; R9-E131 IonicContact NH2-OE2 3.6Å; Y10-E131 VanDerWaalsContact OH-CB 3.3Å; Y10-E131 WeakPolarHBondContact OH-CB 3.3Å; L73-E131 HydrophobicContact CD2-CB 3.99Å; L73-E131 HydrophobicContact CD2-CG 4Å; V103-E131 PolarHBondContact O-N 3.42Å; G104-E131 CarbonylContact C-O 3.29Å; G104-E131 WeakPolarHBondContact CA-O 3.44Å; L105-E131 PolarHBondContact N-O 3.48Å; E131-W133 PolarHBondContact OE1-NE1 2.78Å; E131-K171 VanDerWaalsContact CD-NZ 3.27Å; E131-K171 IonicContact OE1-NZ 3.69Å; E131-K171 PolarHBondContact OE1-NZ 3.41Å; E131-K171 IonicContact OE2-NZ 2.63Å; E131-K171 PolarHBondContact OE2-NZ 2.88Å
132V98.5Very high98.3Very high6 Ų627.3 Ų27.34%0.03615%0.149CC..EExtended strand (participates in β ladder)trans-112.3126.3-178.3-175.80000111.1L105 L122 K126 Y130 L170L105-V132 CarbonylContact O-C 3.18Å; L105-V132 WeakPolarHBondContact O-CA 3.18Å; L122-V132 HydrophobicContact CB-CG1 4.1Å; L122-V132 HydrophobicContact CD2-CG1 4.25Å; K126-V132 HydrophobicContact CB-CB 4.42Å; K126-V132 HydrophobicContact CB-CG2 4.12Å; Y130-V132 PolarHBondContact O-N 3.19Å; V132-L170 HydrophobicContact CB-CD2 4.28Å; V132-L170 HydrophobicContact CG1-CD2 3.93Å
133W98.7Very high98.3Very high2 Ų231 Ų311%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-121.4124.4172.4-74.282.8000111.1F2 L105 C106 V107 E131 K171 C173 D201 I249 H251F2-W133 HydrophobicContact CD2-CZ2 4.31Å; F2-W133 AromaticContact CE2-CE2 3.63Å; F2-W133 AromaticContact CE2-CZ2 3.66Å; F2-W133 HydrophobicContact CE2-CZ2 3.66Å; F2-W133 AromaticContact CE2-NE1 3.54Å; F2-W133 AromaticContact CZ-NE1 3.67Å; L105-W133 PolarHBondContact O-N 3.18Å; C106-W133 WeakPolarHBondContact CA-O 3.45Å; C106-W133 HydrophobicContact CB-CB 4.48Å; V107-W133 PolarHBondContact N-O 2.94Å; E131-W133 PolarHBondContact OE1-NE1 2.78Å; W133-K171 WeakPolarHBondContact CA-O 3.39Å; W133-K171 HydrophobicContact CD2-CB 3.74Å; W133-K171 HydrophobicContact CD2-CD 4.23Å; W133-K171 HydrophobicContact CE3-CB 3.64Å; W133-K171 HydrophobicContact CG-CB 4.36Å; W133-K171 HydrophobicContact CH2-CB 4.17Å; W133-K171 HydrophobicContact CH2-CD 4.17Å; W133-K171 HydrophobicContact CZ2-CB 4.23Å; W133-K171 HydrophobicContact CZ2-CD 3.6Å; W133-K171 HydrophobicContact CZ2-CG 4.48Å; W133-K171 HydrophobicContact CZ3-CB 3.87Å; W133-C173 HydrophobicContact CE3-CB 3.77Å; W133-C173 HydrophobicContact CZ3-CB 4.1Å; W133-D201 HydrophobicContact CH2-CB 4.05Å; W133-D201 HydrophobicContact CZ3-CB 3.87Å; W133-I249 HydrophobicContact CH2-CD1 4.44Å; W133-I249 HydrophobicContact CZ2-CD1 4.46Å; W133-H251 AromaticContact CD2-CE1 3.54Å; W133-H251 AromaticContact CD2-NE2 3.77Å; W133-H251 AromaticContact CE2-CE1 3.95Å; W133-H251 AromaticContact CE2-NE2 3.76Å; W133-H251 AromaticContact CE3-CE1 3.46Å; W133-H251 VanDerWaalsContact CE3-CE1 3.46Å; W133-H251 AromaticContact CE3-NE2 3.65Å; W133-H251 AromaticContact CH2-NE2 3.5Å; W133-H251 WeakPolarHBondContact CH2-NE2 3.44Å; W133-H251 AromaticContact CZ2-NE2 3.64Å; W133-H251 AromaticContact CZ3-CE1 3.78Å; W133-H251 AromaticContact CZ3-NE2 3.5Å
134L98.8Very high98.3Very high0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-88.1111.3165.1179.762.5000108.5T109 V114 L119 L122 L136 T161 A165 K171 V172 C173T109-L134 HydrophobicContact CG2-CD1 3.75Å; V114-L134 HydrophobicContact CG1-CD1 4.49Å; V114-L134 HydrophobicContact CG1-CD2 4.11Å; V114-L134 HydrophobicContact CG2-CD1 4.41Å; L119-L134 HydrophobicContact CD2-CD2 4.09Å; L122-L134 HydrophobicContact CD1-CB 4.5Å; L122-L134 HydrophobicContact CD1-CD1 4.05Å; L134-L136 HydrophobicContact CD1-CD2 4.07Å; L134-L136 HydrophobicContact CD2-CD2 3.98Å; L134-L136 HydrophobicContact CD2-CG 4.32Å; L134-L136 HydrophobicContact CG-CD2 3.8Å; L134-L136 HydrophobicContact CG-CG 4.09Å; L134-T161 HydrophobicContact CD2-CG2 4.47Å; L134-A165 HydrophobicContact CD2-CB 3.83Å; L134-K171 PolarHBondContact N-O 2.83Å; L134-V172 CarbonylContact O-C 3.59Å; L134-V172 WeakPolarHBondContact O-CA 3.44Å; L134-C173 PolarHBondContact O-N 3.15Å
135E98.7Very high98.3Very high7 Ų736.1 Ų36.13%0.03319%0.189CC..EExtended strand (participates in β ladder)trans-97.7112.3177.5-173.1-180128.600110Y75 V107 G108 T109 C173 K204Y75-E135 PolarHBondContact OH-OE1 3.3Å; Y75-E135 PolarHBondContact OH-OE2 3.03Å; V107-E135 PolarHBondContact O-N 3.35Å; G108-E135 WeakPolarHBondContact CA-O 3.31Å; T109-E135 PolarHBondContact N-O 2.87Å; E135-C173 CarbonylContact C-O 3.58Å; E135-C173 VanDerWaalsContact CA-O 3.25Å; E135-C173 WeakPolarHBondContact CA-O 3.43Å; E135-C173 HydrophobicContact CB-CB 4.34Å; E135-C173 HydrophobicContact CG-CB 4.25Å; E135-K204 WeakPolarHBondContact OE1-CD 3.23Å; E135-K204 WeakPolarHBondContact OE1-CE 3.27Å; E135-K204 IonicContact OE1-NZ 3.65Å; E135-K204 PolarHBondContact OE1-NZ 3.27Å; E135-K204 IonicContact OE2-NZ 3.71Å
136L98.7Very high98.3Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-100.3121.2-175.7-64.9-177.5000111.1T109 P111 V114 L134 L138 Y158 T161 T162 V172 C173 H175T109-L136 HydrophobicContact CG2-CD2 3.97Å; P111-L136 HydrophobicContact CG-CB 4.28Å; V114-L136 HydrophobicContact CG2-CD2 4.1Å; L134-L136 HydrophobicContact CD1-CD2 4.07Å; L134-L136 HydrophobicContact CD2-CD2 3.98Å; L134-L136 HydrophobicContact CD2-CG 4.32Å; L134-L136 HydrophobicContact CG-CD2 3.8Å; L134-L136 HydrophobicContact CG-CG 4.09Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 3.35Å; L136-Y158 HydrophobicContact CB-CD2 4.18Å; L136-Y158 HydrophobicContact CB-CE2 4.18Å; L136-Y158 HydrophobicContact CD1-CD2 4.01Å; L136-Y158 HydrophobicContact CD1-CE2 4.07Å; L136-T161 HydrophobicContact CD1-CG2 3.96Å; L136-T161 HydrophobicContact CD2-CG2 4.13Å; L136-T162 WeakPolarHBondContact CD1-OG1 3.39Å; L136-V172 HydrophobicContact CD1-CG1 3.88Å; L136-V172 HydrophobicContact CG-CG1 4.19Å; L136-C173 PolarHBondContact N-O 3.35Å; L136-H175 PolarHBondContact O-N 3.45Å
137G98.2Very high98.2Very high6 Ų640.7 Ų40.76%0.06221%0.211CC..EExtended strand (participates in β ladder)trans-71.671.1175.300000113.6T109 Q139 R151 H153T109-G137 PolarHBondContact O-N 3.05Å; G137-Q139 PolarHBondContact O-NE2 3.02Å; G137-R151 PolarHBondContact O-NE 3.41Å; G137-R151 PolarHBondContact O-NH2 2.87Å; G137-H153 PolarHBondContact O-NE2 2.81Å
138L98.6Very high98.2Very high0 Ų042.4 Ų42.40%021%0.209CC..EExtended strand (participates in β ladder)trans-74.9-46.3178.6178.664.2000113L136 T140 L146 F155 Y158 H175 L176 V195L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 3.35Å; L138-T140 WeakPolarHBondContact CD1-O 3.02Å; L138-T140 WeakPolarHBondContact CG-O 3.46Å; L138-T140 PolarHBondContact O-N 2.71Å; L138-L146 VanDerWaalsContact O-CD2 3.29Å; L138-L146 WeakPolarHBondContact O-CD2 3.22Å; L138-F155 HydrophobicContact CD1-CD2 3.85Å; L138-F155 HydrophobicContact CD1-CE2 4.48Å; L138-F155 HydrophobicContact CD2-CD2 3.93Å; L138-F155 HydrophobicContact CD2-CE2 3.78Å; L138-F155 HydrophobicContact CG-CD2 4.5Å; L138-Y158 HydrophobicContact CB-CD2 3.83Å; L138-Y158 HydrophobicContact CB-CE2 4.14Å; L138-Y158 HydrophobicContact CB-CG 4.29Å; L138-Y158 HydrophobicContact CD1-CD1 4.08Å; L138-Y158 HydrophobicContact CD1-CD2 3.99Å; L138-Y158 HydrophobicContact CD1-CG 3.57Å; L138-Y158 HydrophobicContact CD2-CD1 3.87Å; L138-Y158 HydrophobicContact CD2-CD2 4.11Å; L138-Y158 HydrophobicContact CD2-CE1 3.95Å; L138-Y158 HydrophobicContact CD2-CE2 4.16Å; L138-Y158 HydrophobicContact CD2-CG 3.97Å; L138-Y158 HydrophobicContact CG-CD1 4.5Å; L138-Y158 HydrophobicContact CG-CD2 4.18Å; L138-Y158 HydrophobicContact CG-CG 4.13Å; L138-H175 PolarHBondContact N-O 2.89Å; L138-L176 HydrophobicContact CB-CD2 4.31Å; L138-L176 HydrophobicContact CD2-CD2 4.05Å; L138-L176 HydrophobicContact CG-CD2 4.47Å; L138-V195 HydrophobicContact CD2-CG2 3.32Å
139Q98.6Very high98.1Very high6 Ų637.3 Ų37.33%0.02819%0.185CC..EExtended strand (participates in β ladder)trans70.5-54.5-172.5-34.8-46.1-33.300114.3F39 G137 I149 H175 I177 L180F39-Q139 HydrophobicContact CE1-CG 4.24Å; F39-Q139 HydrophobicContact CZ-CG 3.89Å; G137-Q139 PolarHBondContact O-NE2 3.02Å; Q139-I149 HydrophobicContact CB-CD1 4.5Å; Q139-H175 WeakPolarHBondContact CA-O 3.28Å; Q139-H175 PolarHBondContact N-O 2.88Å; Q139-I177 HydrophobicContact CB-CD1 4.06Å; Q139-I177 HydrophobicContact CB-CG1 4.15Å; Q139-I177 HydrophobicContact CG-CD1 4.11Å; Q139-I177 PolarHBondContact O-N 3.27Å; Q139-I177 VanDerWaalsContact OE1-CD1 3.22Å; Q139-I177 VanDerWaalsContact OE1-CG1 3.23Å; Q139-L180 HydrophobicContact CB-CD1 4.31Å
140T98.8Very high98.2Very high0 Ų037 Ų370%017%0.168CC..  trans-151.9152.9-179.91730000110.8L138 H142 T145 L146 L180 E183 T191L138-T140 WeakPolarHBondContact CD1-O 3.02Å; L138-T140 WeakPolarHBondContact CG-O 3.46Å; L138-T140 PolarHBondContact O-N 2.71Å; T140-H142 VanDerWaalsContact C-N 3.28Å; T140-H142 PolarHBondContact OG1-CD2 3.36Å; T140-H142 VanDerWaalsContact OG1-CD2 3.29Å; T140-H142 PolarHBondContact OG1-N 3.04Å; T140-H142 VanDerWaalsContact OG1-N 3.11Å; T140-T145 HydrophobicContact CG2-CG2 3.87Å; T140-L146 HydrophobicContact CG2-CD2 3.55Å; T140-L146 HydrophobicContact CG2-CG 3.89Å; T140-L146 WeakPolarHBondContact O-CD2 3.43Å; T140-L180 HydrophobicContact CG2-CD1 3.62Å; T140-E183 WeakPolarHBondContact CB-OE1 3.44Å; T140-E183 PolarHBondContact OG1-OE1 2.87Å; T140-E183 PolarHBondContact OG1-OE2 3.4Å; T140-T191 PolarHBondContact OG1-OG1 3.45Å
141A98.7Very high98.1Very high0 Ų035.5 Ų35.50%016%0.162CC..SBendtrans-84.8-1.5173.100000113.3F155 T191 R194A141-F155 HydrophobicContact CB-CD2 3.44Å; A141-F155 VanDerWaalsContact CB-CD2 3.44Å; A141-F155 HydrophobicContact CB-CE2 3.52Å; A141-F155 HydrophobicContact CB-CG 4.02Å; A141-F155 HydrophobicContact CB-CZ 4.14Å; A141-T191 HydrophobicContact CB-CG2 4.11Å; A141-T191 PolarHBondContact N-OG1 3.35Å; A141-R194 HydrophobicContact CB-CB 4.33Å; A141-R194 PolarHBondContact O-NH1 3.44Å
142H98.8Very high98Very high33 Ų3336.1 Ų36.115%0.15317%0.173CC..  trans-91.2104.3-175.7-65.9-70.7000111.6T140 K144 T145 L146 E183 E187 Q190T140-H142 VanDerWaalsContact C-N 3.28Å; T140-H142 PolarHBondContact OG1-CD2 3.36Å; T140-H142 VanDerWaalsContact OG1-CD2 3.29Å; T140-H142 PolarHBondContact OG1-N 3.04Å; T140-H142 VanDerWaalsContact OG1-N 3.11Å; H142-K144 PolarHBondContact O-N 3.09Å; H142-K144 VanDerWaalsContact O-N 3.15Å; H142-T145 WeakPolarHBondContact O-CA 3.3Å; H142-T145 WeakPolarHBondContact O-CB 3.5Å; H142-T145 PolarHBondContact O-N 3.47Å; H142-L146 WeakPolarHBondContact O-CG 3.45Å; H142-L146 PolarHBondContact O-N 3.05Å; H142-E183 WeakPolarHBondContact CB-OE1 3.43Å; H142-E183 IonicContact CD2-OE1 3.66Å; H142-E183 PolarHBondContact CD2-OE1 3.45Å; H142-E183 IonicContact CG-OE1 2.67Å; H142-E187 WeakPolarHBondContact NE2-CA 3.3Å; H142-E187 WeakPolarHBondContact NE2-CB 3.49Å; H142-E187 PolarHBondContact NE2-O 3.05Å; H142-Q190 PolarHBondContact CE1-OE1 3.1Å
143D98.6Very high97.9Very high76 Ų7636.6 Ų36.641%0.40617%0.174SC..Hα-helixtrans-57.7-33.1-178-65.1-27000113T145 L146 H147 D154 F155D143-T145 VanDerWaalsContact C-N 3.33Å; D143-T145 PolarHBondContact O-N 3.27Å; D143-L146 PolarHBondContact O-N 3.18Å; D143-H147 WeakPolarHBondContact O-CB 3.5Å; D143-H147 PolarHBondContact O-N 3.02Å; D143-D154 WeakPolarHBondContact OD1-CB 3.19Å; D143-F155 PolarHBondContact OD1-N 2.7Å
144K98.3Very high97.9Very high183 Ų18339.9 Ų39.980%0.79619%0.192SC*.Hα-helixtrans-60.1-43.4172.9-176.9-178.7178-176.50111.7H142 R148H142-K144 PolarHBondContact O-N 3.09Å; H142-K144 VanDerWaalsContact O-N 3.15Å; K144-R148 WeakPolarHBondContact O-CB 3.37Å; K144-R148 PolarHBondContact O-N 3.4Å
145T98.4Very high97.9Very high13 Ų1339.9 Ų39.98%0.0819%0.192CC..Hα-helixtrans-71.7-42.8177-52.60000110.9T140 H142 D143 H147 R148 I149 L180 E183T140-T145 HydrophobicContact CG2-CG2 3.87Å; H142-T145 WeakPolarHBondContact O-CA 3.3Å; H142-T145 WeakPolarHBondContact O-CB 3.5Å; H142-T145 PolarHBondContact O-N 3.47Å; D143-T145 VanDerWaalsContact C-N 3.33Å; D143-T145 PolarHBondContact O-N 3.27Å; T145-H147 VanDerWaalsContact C-N 3.29Å; T145-H147 PolarHBondContact O-N 2.94Å; T145-R148 WeakPolarHBondContact O-CB 3.31Å; T145-R148 PolarHBondContact O-N 3.38Å; T145-R148 VanDerWaalsContact O-N 3.09Å; T145-I149 HydrophobicContact CG2-CG2 4.29Å; T145-I149 WeakPolarHBondContact O-CG1 3.31Å; T145-I149 PolarHBondContact O-N 3.37Å; T145-L180 HydrophobicContact CG2-CB 3.91Å; T145-L180 HydrophobicContact CG2-CD1 4.06Å; T145-E183 WeakPolarHBondContact CB-OE1 3.44Å; T145-E183 HydrophobicContact CG2-CG 4.15Å; T145-E183 VanDerWaalsContact CG2-OE1 3.23Å; T145-E183 WeakPolarHBondContact CG2-OE1 3.44Å; T145-E183 PolarHBondContact OG1-OE1 3.29Å
146L98.3Very high97.9Very high2 Ų242.1 Ų42.11%0.0121%0.212CC..Hα-helixtrans-54.2-47.3174.8-65.4176.6000110.7L138 T140 H142 D143 I149 N150 R151L138-L146 VanDerWaalsContact O-CD2 3.29Å; L138-L146 WeakPolarHBondContact O-CD2 3.22Å; T140-L146 HydrophobicContact CG2-CD2 3.55Å; T140-L146 HydrophobicContact CG2-CG 3.89Å; T140-L146 WeakPolarHBondContact O-CD2 3.43Å; H142-L146 WeakPolarHBondContact O-CG 3.45Å; H142-L146 PolarHBondContact O-N 3.05Å; D143-L146 PolarHBondContact O-N 3.18Å; L146-I149 WeakPolarHBondContact O-CG1 3.47Å; L146-I149 PolarHBondContact O-N 3.36Å; L146-N150 PolarHBondContact O-N 3.07Å; L146-R151 HydrophobicContact CB-CB 4.01Å; L146-R151 HydrophobicContact CD2-CB 4.03Å; L146-R151 HydrophobicContact CD2-CG 3.89Å; L146-R151 VanDerWaalsContact O-CB 3.25Å; L146-R151 WeakPolarHBondContact O-CB 3.02Å; L146-R151 PolarHBondContact O-N 3.27Å
147H96.9Very high97.9Very high159 Ų15943.7 Ų43.774%0.73622%0.222SC*.Hα-helixtrans-61.3-48.4174.2-174.775000112D143 T145 I149 N150D143-H147 WeakPolarHBondContact O-CB 3.5Å; D143-H147 PolarHBondContact O-N 3.02Å; T145-H147 VanDerWaalsContact C-N 3.29Å; T145-H147 PolarHBondContact O-N 2.94Å; H147-I149 PolarHBondContact O-N 2.77Å; H147-N150 PolarHBondContact O-N 2.91Å
148R96.8Very high97.9Very high151 Ų15143.4 Ų43.457%0.5722%0.219SC*.Hα-helixtrans-57.8-35.5179.5-175.4-179.6-176.1179.25113K144 T145 N150 P181K144-R148 WeakPolarHBondContact O-CB 3.37Å; K144-R148 PolarHBondContact O-N 3.4Å; T145-R148 WeakPolarHBondContact O-CB 3.31Å; T145-R148 PolarHBondContact O-N 3.38Å; T145-R148 VanDerWaalsContact O-N 3.09Å; R148-N150 VanDerWaalsContact C-N 3.28Å; R148-P181 PolarHBondContact NH1-O 2.69Å
149I97Very high97.9Very high1 Ų146.1 Ų46.11%0.00523%0.232CC..THydrogen-bonded Turntrans-91.313.4178.873-173.8000113.2C37 T38 F39 Q139 T145 L146 H147 R151 L180 M216C37-I149 CarbonylContact C-O 3.46Å; C37-I149 WeakPolarHBondContact CA-O 3.34Å; T38-I149 PolarHBondContact N-O 3.35Å; T38-I149 WeakPolarHBondContact OG1-CA 3.45Å; T38-I149 PolarHBondContact OG1-O 3.18Å; F39-I149 HydrophobicContact CD1-CB 4.35Å; F39-I149 HydrophobicContact CD1-CD1 4.18Å; F39-I149 HydrophobicContact CE1-CD1 3.85Å; F39-I149 HydrophobicContact CE1-CG1 4.34Å; Q139-I149 HydrophobicContact CB-CD1 4.5Å; T145-I149 HydrophobicContact CG2-CG2 4.29Å; T145-I149 WeakPolarHBondContact O-CG1 3.31Å; T145-I149 PolarHBondContact O-N 3.37Å; L146-I149 WeakPolarHBondContact O-CG1 3.47Å; L146-I149 PolarHBondContact O-N 3.36Å; H147-I149 PolarHBondContact O-N 2.77Å; I149-R151 VanDerWaalsContact C-N 3.27Å; I149-R151 HydrophobicContact CD1-CB 4.5Å; I149-R151 HydrophobicContact CG1-CB 4.03Å; I149-R151 PolarHBondContact O-N 3.47Å; I149-L180 HydrophobicContact CD1-CD1 4.27Å; I149-L180 HydrophobicContact CD1-CD2 4.12Å; I149-L180 HydrophobicContact CG2-CD2 4.33Å; I149-M216 HydrophobicContact CB-CE 4.32Å; I149-M216 HydrophobicContact CG2-CE 3.66Å
150N96.8Very high97.9Very high58 Ų5854.2 Ų54.231%0.3126%0.262SS..THydrogen-bonded Turntrans53.444.2-177.9-166.140.2000111.9N27 R34 G36 T38 L146 H147 R148N27-N150 PolarHBondContact ND2-O 3.47Å; R34-N150 PolarHBondContact O-ND2 2.96Å; R34-N150 VanDerWaalsContact O-ND2 3.13Å; G36-N150 PolarHBondContact O-ND2 3.09Å; T38-N150 HydrophobicContact CG2-CB 4.02Å; L146-N150 PolarHBondContact O-N 3.07Å; H147-N150 PolarHBondContact O-N 2.91Å; R148-N150 VanDerWaalsContact C-N 3.28Å
151R96Very high97.9Very high27 Ų2754.8 Ų54.810%0.10227%0.266CS..  trans-86.5111.4172.2-167.273.8-179.9163.410.6108.2C37 G137 L146 I149 H153C37-R151 PolarHBondContact SG-NH1 3.31Å; G137-R151 PolarHBondContact O-NE 3.41Å; G137-R151 PolarHBondContact O-NH2 2.87Å; L146-R151 HydrophobicContact CB-CB 4.01Å; L146-R151 HydrophobicContact CD2-CB 4.03Å; L146-R151 HydrophobicContact CD2-CG 3.89Å; L146-R151 VanDerWaalsContact O-CB 3.25Å; L146-R151 WeakPolarHBondContact O-CB 3.02Å; L146-R151 PolarHBondContact O-N 3.27Å; I149-R151 VanDerWaalsContact C-N 3.27Å; I149-R151 HydrophobicContact CD1-CB 4.5Å; I149-R151 HydrophobicContact CG1-CB 4.03Å; I149-R151 PolarHBondContact O-N 3.47Å; R151-H153 PolarHBondContact NE-NE2 3.2Å; R151-H153 PolarHBondContact NH2-NE2 3.26Å; R151-H153 PolarHBondContact O-N 3.15Å
152G95.2Very high97.9Very high28 Ų2854.8 Ų54.829%0.28927%0.266SS..SBendtrans-74.228.9-176.600000116.4I32 R110I32-G152 WeakPolarHBondContact CG2-O 3.5Å; R110-G152 VanDerWaalsContact NH2-C 3.34Å; R110-G152 PolarHBondContact NH2-O 3.04Å
153H97.4Very high97.9Very high16 Ų1657.4 Ų57.47%0.07428%0.278CS..SBendtrans-149159.7169.370.474000109.1P111 D112 G137 R151 C157P111-H153 WeakPolarHBondContact CD-NE2 3.48Å; D112-H153 HydrophobicContact CB-CB 3.9Å; D112-H153 IonicContact OD1-CD2 3.81Å; G137-H153 PolarHBondContact O-NE2 2.81Å; R151-H153 PolarHBondContact NE-NE2 3.2Å; R151-H153 PolarHBondContact NH2-NE2 3.26Å; R151-H153 PolarHBondContact O-N 3.15Å; H153-C157 HydrophobicContact CB-CB 4.28Å
154D98.3Very high97.9Very high71 Ų7156 Ų5638%0.3827%0.27SS..  trans-101.5-178.4177.460.517.8000111.8D143 A156 C157D143-D154 WeakPolarHBondContact OD1-CB 3.19Å; D154-A156 PolarHBondContact OD1-N 3.11Å; D154-C157 WeakPolarHBondContact OD1-CB 3.4Å; D154-C157 PolarHBondContact OD1-N 3.42Å
155F98.8Very high97.9Very high1 Ų147.2 Ų47.20%0.00423%0.232CC..Hα-helixtrans-70.2-35175.3-174.1-107.2000112.7L138 A141 D143 C157 Y158 Q159 R194 V195L138-F155 HydrophobicContact CD1-CD2 3.85Å; L138-F155 HydrophobicContact CD1-CE2 4.48Å; L138-F155 HydrophobicContact CD2-CD2 3.93Å; L138-F155 HydrophobicContact CD2-CE2 3.78Å; L138-F155 HydrophobicContact CG-CD2 4.5Å; A141-F155 HydrophobicContact CB-CD2 3.44Å; A141-F155 VanDerWaalsContact CB-CD2 3.44Å; A141-F155 HydrophobicContact CB-CE2 3.52Å; A141-F155 HydrophobicContact CB-CG 4.02Å; A141-F155 HydrophobicContact CB-CZ 4.14Å; D143-F155 PolarHBondContact OD1-N 2.7Å; F155-C157 VanDerWaalsContact C-N 3.31Å; F155-C157 PolarHBondContact O-N 2.94Å; F155-Y158 AromaticContact CD2-CD1 3.84Å; F155-Y158 HydrophobicContact CD2-CD1 3.84Å; F155-Y158 AromaticContact CE2-CD1 3.47Å; F155-Y158 HydrophobicContact CE2-CD1 3.47Å; F155-Y158 VanDerWaalsContact CE2-CD1 3.47Å; F155-Y158 AromaticContact CE2-CE1 3.78Å; F155-Y158 HydrophobicContact CE2-CE1 3.78Å; F155-Y158 HydrophobicContact CZ-CD1 4.12Å; F155-Y158 HydrophobicContact CZ-CE1 4.25Å; F155-Y158 WeakPolarHBondContact O-CA 3.1Å; F155-Y158 WeakPolarHBondContact O-CB 3.17Å; F155-Y158 PolarHBondContact O-N 3.24Å; F155-Y158 VanDerWaalsContact O-N 3.08Å; F155-Q159 HydrophobicContact CD1-CG 3.73Å; F155-Q159 HydrophobicContact CE1-CG 3.38Å; F155-Q159 HydrophobicContact CE2-CG 4.45Å; F155-Q159 HydrophobicContact CG-CG 4.45Å; F155-Q159 HydrophobicContact CZ-CG 3.76Å; F155-Q159 WeakPolarHBondContact O-CG 3.41Å; F155-Q159 PolarHBondContact O-N 3.28Å; F155-R194 VanDerWaalsContact CD1-CZ 3.46Å; F155-R194 HydrophobicContact CE1-CB 3.87Å; F155-R194 HydrophobicContact CE2-CB 4.28Å; F155-R194 HydrophobicContact CZ-CB 3.47Å; F155-R194 VanDerWaalsContact CZ-CB 3.47Å; F155-V195 HydrophobicContact CE2-CG2 4.16Å
156A98.8Very high97.9Very high54 Ų5451.7 Ų51.745%0.44625%0.248SC..Hα-helixtrans-61.4-39.517900000112.1D154 Q159 R160D154-A156 PolarHBondContact OD1-N 3.11Å; A156-Q159 PolarHBondContact O-N 2.71Å; A156-R160 PolarHBondContact O-N 2.96Å
157C98.5Very high97.9Very high32 Ų3258.6 Ų58.622%0.21628%0.28CS..Hα-helixtrans-58.7-46.6171.4174.70000111.6P111 D112 H153 D154 F155 Q159 R160 T161P111-C157 VanDerWaalsContact C-SG 3.59Å; D112-C157 VanDerWaalsContact CA-SG 3.51Å; D112-C157 PolarHBondContact N-SG 2.59Å; H153-C157 HydrophobicContact CB-CB 4.28Å; D154-C157 WeakPolarHBondContact OD1-CB 3.4Å; D154-C157 PolarHBondContact OD1-N 3.42Å; F155-C157 VanDerWaalsContact C-N 3.31Å; F155-C157 PolarHBondContact O-N 2.94Å; C157-Q159 PolarHBondContact O-N 2.96Å; C157-R160 PolarHBondContact O-N 2.93Å; C157-T161 PolarHBondContact O-N 3.13Å; C157-T161 PolarHBondContact O-OG1 2.83Å; C157-T161 VanDerWaalsContact O-OG1 3.12Å
158Y98.8Very high98Very high0 Ų054.2 Ų54.20%026%0.257CS..Hα-helixtrans-58.8-44.3173.9163.3-90.1000112.8P111 L136 L138 F155 T161 T162 S174 V195 T198P111-Y158 HydrophobicContact CG-CD2 4.17Å; L136-Y158 HydrophobicContact CB-CD2 4.18Å; L136-Y158 HydrophobicContact CB-CE2 4.18Å; L136-Y158 HydrophobicContact CD1-CD2 4.01Å; L136-Y158 HydrophobicContact CD1-CE2 4.07Å; L138-Y158 HydrophobicContact CB-CD2 3.83Å; L138-Y158 HydrophobicContact CB-CE2 4.14Å; L138-Y158 HydrophobicContact CB-CG 4.29Å; L138-Y158 HydrophobicContact CD1-CD1 4.08Å; L138-Y158 HydrophobicContact CD1-CD2 3.99Å; L138-Y158 HydrophobicContact CD1-CG 3.57Å; L138-Y158 HydrophobicContact CD2-CD1 3.87Å; L138-Y158 HydrophobicContact CD2-CD2 4.11Å; L138-Y158 HydrophobicContact CD2-CE1 3.95Å; L138-Y158 HydrophobicContact CD2-CE2 4.16Å; L138-Y158 HydrophobicContact CD2-CG 3.97Å; L138-Y158 HydrophobicContact CG-CD1 4.5Å; L138-Y158 HydrophobicContact CG-CD2 4.18Å; L138-Y158 HydrophobicContact CG-CG 4.13Å; F155-Y158 AromaticContact CD2-CD1 3.84Å; F155-Y158 HydrophobicContact CD2-CD1 3.84Å; F155-Y158 AromaticContact CE2-CD1 3.47Å; F155-Y158 HydrophobicContact CE2-CD1 3.47Å; F155-Y158 VanDerWaalsContact CE2-CD1 3.47Å; F155-Y158 AromaticContact CE2-CE1 3.78Å; F155-Y158 HydrophobicContact CE2-CE1 3.78Å; F155-Y158 HydrophobicContact CZ-CD1 4.12Å; F155-Y158 HydrophobicContact CZ-CE1 4.25Å; F155-Y158 WeakPolarHBondContact O-CA 3.1Å; F155-Y158 WeakPolarHBondContact O-CB 3.17Å; F155-Y158 PolarHBondContact O-N 3.24Å; F155-Y158 VanDerWaalsContact O-N 3.08Å; Y158-T161 PolarHBondContact O-N 3.04Å; Y158-T162 VanDerWaalsContact CE2-OG1 3.28Å; Y158-T162 WeakPolarHBondContact CE2-OG1 3.18Å; Y158-T162 VanDerWaalsContact O-CB 3.3Å; Y158-T162 WeakPolarHBondContact O-CB 3.4Å; Y158-T162 PolarHBondContact O-N 3.47Å; Y158-T162 PolarHBondContact O-OG1 2.96Å; Y158-S174 WeakPolarHBondContact CE2-OG 3.31Å; Y158-S174 VanDerWaalsContact CZ-OG 3.28Å; Y158-S174 PolarHBondContact OH-OG 3.17Å; Y158-V195 HydrophobicContact CE1-CG2 4.09Å; Y158-T198 HydrophobicContact CE1-CG2 3.89Å
159Q98.8Very high98Very high57 Ų5749.2 Ų49.227%0.26625%0.252SS..Hα-helixtrans-60.3-50.9179.2-68.7-175.5-78.400111.2F155 A156 C157 T161 T162 Q163 T198F155-Q159 HydrophobicContact CD1-CG 3.73Å; F155-Q159 HydrophobicContact CE1-CG 3.38Å; F155-Q159 HydrophobicContact CE2-CG 4.45Å; F155-Q159 HydrophobicContact CG-CG 4.45Å; F155-Q159 HydrophobicContact CZ-CG 3.76Å; F155-Q159 WeakPolarHBondContact O-CG 3.41Å; F155-Q159 PolarHBondContact O-N 3.28Å; A156-Q159 PolarHBondContact O-N 2.71Å; C157-Q159 PolarHBondContact O-N 2.96Å; Q159-T161 PolarHBondContact O-N 3.49Å; Q159-T162 PolarHBondContact O-N 3.36Å; Q159-Q163 WeakPolarHBondContact O-CB 3.44Å; Q159-Q163 VanDerWaalsContact O-CG 3.26Å; Q159-Q163 WeakPolarHBondContact O-CG 3.38Å; Q159-Q163 PolarHBondContact O-N 3.41Å; Q159-T198 HydrophobicContact CB-CG2 4.17Å; Q159-T198 HydrophobicContact CG-CG2 4.1Å
160R98.7Very high98.1Very high176 Ų17649.3 Ų49.366%0.66425%0.253SS*.Hα-helixtrans-57.4-50.3179-177179.3-179.3178.60.2111.5A156 C157 T162 Q163 L164A156-R160 PolarHBondContact O-N 2.96Å; C157-R160 PolarHBondContact O-N 2.93Å; R160-T162 VanDerWaalsContact C-N 3.34Å; R160-T162 PolarHBondContact O-N 2.71Å; R160-Q163 PolarHBondContact O-N 3.43Å; R160-L164 HydrophobicContact CG-CD1 3.92Å; R160-L164 HydrophobicContact CG-CG 4.45Å; R160-L164 WeakPolarHBondContact O-CB 3.37Å; R160-L164 VanDerWaalsContact O-CG 3.29Å; R160-L164 WeakPolarHBondContact O-CG 3.22Å; R160-L164 PolarHBondContact O-N 3.31Å
161T98.7Very high98.2Very high13 Ų1349.7 Ų49.78%0.0825%0.252CS..Hα-helixtrans-63.1-41.4-178.8-61.20000111.8P111 V114 L134 L136 C157 Y158 Q159 A165P111-T161 PolarHBondContact O-OG1 2.93Å; V114-T161 HydrophobicContact CB-CG2 3.67Å; V114-T161 HydrophobicContact CG1-CG2 4.12Å; V114-T161 HydrophobicContact CG2-CG2 3.86Å; L134-T161 HydrophobicContact CD2-CG2 4.47Å; L136-T161 HydrophobicContact CD1-CG2 3.96Å; L136-T161 HydrophobicContact CD2-CG2 4.13Å; C157-T161 PolarHBondContact O-N 3.13Å; C157-T161 PolarHBondContact O-OG1 2.83Å; C157-T161 VanDerWaalsContact O-OG1 3.12Å; Y158-T161 PolarHBondContact O-N 3.04Å; Q159-T161 PolarHBondContact O-N 3.49Å; T161-A165 WeakPolarHBondContact O-CB 3.46Å; T161-A165 PolarHBondContact O-N 3.23Å
162T98.8Very high98.3Very high0 Ų048.4 Ų48.40%025%0.247CC..Hα-helixtrans-63.5-48177.9-59.30000111.1L136 Y158 Q159 R160 L164 A165 R166 V172 T198L136-T162 WeakPolarHBondContact CD1-OG1 3.39Å; Y158-T162 VanDerWaalsContact CE2-OG1 3.28Å; Y158-T162 WeakPolarHBondContact CE2-OG1 3.18Å; Y158-T162 VanDerWaalsContact O-CB 3.3Å; Y158-T162 WeakPolarHBondContact O-CB 3.4Å; Y158-T162 PolarHBondContact O-N 3.47Å; Y158-T162 PolarHBondContact O-OG1 2.96Å; Q159-T162 PolarHBondContact O-N 3.36Å; R160-T162 VanDerWaalsContact C-N 3.34Å; R160-T162 PolarHBondContact O-N 2.71Å; T162-L164 PolarHBondContact O-N 3.33Å; T162-A165 PolarHBondContact O-N 3.39Å; T162-R166 HydrophobicContact CG2-CG 4.48Å; T162-R166 WeakPolarHBondContact O-CB 3.45Å; T162-R166 WeakPolarHBondContact O-CG 3.06Å; T162-R166 PolarHBondContact O-N 3.37Å; T162-V172 HydrophobicContact CG2-CB 4.17Å; T162-V172 HydrophobicContact CG2-CG1 3.94Å; T162-V172 HydrophobicContact CG2-CG2 4.2Å; T162-T198 HydrophobicContact CG2-CG2 3.69Å
163Q98.7Very high98.5Very high87 Ų8747 Ų4741%0.40723%0.233SC..Hα-helixtrans-62.8-44.4179.7-71.7169.4-15.300111.6Q159 R160 A165 R166 Q167 T198Q159-Q163 WeakPolarHBondContact O-CB 3.44Å; Q159-Q163 VanDerWaalsContact O-CG 3.26Å; Q159-Q163 WeakPolarHBondContact O-CG 3.38Å; Q159-Q163 PolarHBondContact O-N 3.41Å; R160-Q163 PolarHBondContact O-N 3.43Å; Q163-A165 VanDerWaalsContact C-N 3.35Å; Q163-A165 PolarHBondContact O-N 3.36Å; Q163-R166 PolarHBondContact O-N 2.86Å; Q163-Q167 WeakPolarHBondContact O-CB 3.44Å; Q163-Q167 WeakPolarHBondContact O-CG 3.37Å; Q163-Q167 PolarHBondContact O-N 3.33Å; Q163-T198 HydrophobicContact CG-CG2 4.47Å
164L98.6Very high98.6Very high46 Ų4646.3 Ų46.324%0.24123%0.23CC..Hα-helixtrans-62.9-39.1177.1-73173.3000112.8L119 R160 T162 R168L119-L164 HydrophobicContact CD1-CB 3.78Å; R160-L164 HydrophobicContact CG-CD1 3.92Å; R160-L164 HydrophobicContact CG-CG 4.45Å; R160-L164 WeakPolarHBondContact O-CB 3.37Å; R160-L164 VanDerWaalsContact O-CG 3.29Å; R160-L164 WeakPolarHBondContact O-CG 3.22Å; R160-L164 PolarHBondContact O-N 3.31Å; T162-L164 PolarHBondContact O-N 3.33Å; L164-R168 WeakPolarHBondContact O-CG 3.25Å; L164-R168 PolarHBondContact O-NH1 3.1Å; L164-R168 VanDerWaalsContact O-NH1 3.13Å
165A98.7Very high98.6Very high0 Ų044.4 Ų44.40%022%0.219CC..Hα-helixtrans-66.2-46.6175.700000111.2L119 L134 T161 T162 Q163 R168 G169 L170 V172L119-A165 HydrophobicContact CD2-CB 3.81Å; L134-A165 HydrophobicContact CD2-CB 3.83Å; T161-A165 WeakPolarHBondContact O-CB 3.46Å; T161-A165 PolarHBondContact O-N 3.23Å; T162-A165 PolarHBondContact O-N 3.39Å; Q163-A165 VanDerWaalsContact C-N 3.35Å; Q163-A165 PolarHBondContact O-N 3.36Å; A165-R168 CarbonylContact O-C 3.58Å; A165-R168 PolarHBondContact O-N 3.24Å; A165-R168 VanDerWaalsContact O-N 3.12Å; A165-G169 PolarHBondContact O-N 2.76Å; A165-L170 HydrophobicContact CB-CB 4.23Å; A165-L170 HydrophobicContact CB-CD1 4.39Å; A165-L170 WeakPolarHBondContact O-CB 3.34Å; A165-L170 PolarHBondContact O-N 2.8Å; A165-V172 HydrophobicContact CB-CG2 3.73Å
166R98.3Very high98.6Very high106 Ų10644.5 Ų44.540%0.422%0.219SC..Hα-helixtrans-67.9-36.1-179.3-71.1-168.374.3-1379.5113.6T162 Q163 R168 G169 V172 G199 D201T162-R166 HydrophobicContact CG2-CG 4.48Å; T162-R166 WeakPolarHBondContact O-CB 3.45Å; T162-R166 WeakPolarHBondContact O-CG 3.06Å; T162-R166 PolarHBondContact O-N 3.37Å; Q163-R166 PolarHBondContact O-N 2.86Å; R166-R168 PolarHBondContact O-N 3.22Å; R166-G169 WeakPolarHBondContact O-CA 3.47Å; R166-G169 PolarHBondContact O-N 2.61Å; R166-V172 HydrophobicContact CG-CG2 3.92Å; R166-G199 WeakPolarHBondContact CD-O 3.47Å; R166-G199 PolarHBondContact NE-O 2.9Å; R166-G199 PolarHBondContact NH1-O 3.42Å; R166-D201 IonicContact NE-OD1 3.31Å; R166-D201 IonicContact NE-OD2 3.09Å; R166-D201 IonicContact NH2-OD1 3.7Å
167Q98.2Very high98.6Very high147 Ų14742.1 Ų42.169%0.68720%0.199SC*.Hα-helixtrans-58.8-28.7172.5-76.4167.76.700112.3Q163 G169Q163-Q167 WeakPolarHBondContact O-CB 3.44Å; Q163-Q167 WeakPolarHBondContact O-CG 3.37Å; Q163-Q167 PolarHBondContact O-N 3.33Å; Q167-G169 VanDerWaalsContact C-N 3.32Å
168R98.2Very high98.6Very high68 Ų6840.7 Ų40.726%0.25719%0.189SC..THydrogen-bonded Turntrans-89.35.2174-63.4172.6168.977.1-9113.8D116 D120 C123 K126 L164 A165 R166 L170D116-R168 IonicContact OD1-CZ 3.45Å; D116-R168 IonicContact OD1-NH1 3.32Å; D116-R168 IonicContact OD1-NH2 2.76Å; D116-R168 PolarHBondContact OD1-NH2 2.83Å; D120-R168 IonicContact OD1-CZ 3.76Å; D120-R168 IonicContact OD1-NE 3.71Å; D120-R168 PolarHBondContact OD1-NE 2.84Å; D120-R168 VanDerWaalsContact OD1-NE 3.09Å; D120-R168 IonicContact OD1-NH2 2.83Å; C123-R168 VanDerWaalsContact SG-CB 3.52Å; K126-R168 VanDerWaalsContact CE-O 3.27Å; K126-R168 WeakPolarHBondContact CE-O 3.44Å; L164-R168 WeakPolarHBondContact O-CG 3.25Å; L164-R168 PolarHBondContact O-NH1 3.1Å; L164-R168 VanDerWaalsContact O-NH1 3.13Å; A165-R168 CarbonylContact O-C 3.58Å; A165-R168 PolarHBondContact O-N 3.24Å; A165-R168 VanDerWaalsContact O-N 3.12Å; R166-R168 PolarHBondContact O-N 3.22Å; R168-L170 VanDerWaalsContact C-N 3.35Å
169G97.8Very high98.6Very high46 Ų4641.6 Ų41.647%0.47420%0.198SC..THydrogen-bonded Turntrans75.516.4-179.800000114.9K126 A165 R166 Q167K126-G169 WeakPolarHBondContact CD-O 3.3Å; A165-G169 PolarHBondContact O-N 2.76Å; R166-G169 WeakPolarHBondContact O-CA 3.47Å; R166-G169 PolarHBondContact O-N 2.61Å; Q167-G169 VanDerWaalsContact C-N 3.32Å
170L98.6Very high98.5Very high3 Ų339 Ų392%0.01619%0.186CC..  trans-79.4138.9172.2-66.8169.6000110.4L119 L122 K126 V132 A165 R168L119-L170 HydrophobicContact CD2-CD1 4.07Å; L122-L170 HydrophobicContact CB-CD1 3.92Å; L122-L170 HydrophobicContact CB-CD2 3.93Å; K126-L170 HydrophobicContact CB-CD2 4.33Å; K126-L170 HydrophobicContact CD-CD2 4.28Å; V132-L170 HydrophobicContact CB-CD2 4.28Å; V132-L170 HydrophobicContact CG1-CD2 3.93Å; A165-L170 HydrophobicContact CB-CB 4.23Å; A165-L170 HydrophobicContact CB-CD1 4.39Å; A165-L170 WeakPolarHBondContact O-CB 3.34Å; A165-L170 PolarHBondContact O-N 2.8Å; R168-L170 VanDerWaalsContact C-N 3.35Å
171K98.7Very high98.4Very high65 Ų6531.5 Ų31.528%0.28316%0.16SC..EExtended strand (participates in β ladder)trans-77.3132172.7-63175.6-179.4170.30110E131 W133 L134 D201E131-K171 VanDerWaalsContact CD-NZ 3.27Å; E131-K171 IonicContact OE1-NZ 3.69Å; E131-K171 PolarHBondContact OE1-NZ 3.41Å; E131-K171 IonicContact OE2-NZ 2.63Å; E131-K171 PolarHBondContact OE2-NZ 2.88Å; W133-K171 WeakPolarHBondContact CA-O 3.39Å; W133-K171 HydrophobicContact CD2-CB 3.74Å; W133-K171 HydrophobicContact CD2-CD 4.23Å; W133-K171 HydrophobicContact CE3-CB 3.64Å; W133-K171 HydrophobicContact CG-CB 4.36Å; W133-K171 HydrophobicContact CH2-CB 4.17Å; W133-K171 HydrophobicContact CH2-CD 4.17Å; W133-K171 HydrophobicContact CZ2-CB 4.23Å; W133-K171 HydrophobicContact CZ2-CD 3.6Å; W133-K171 HydrophobicContact CZ2-CG 4.48Å; W133-K171 HydrophobicContact CZ3-CB 3.87Å; L134-K171 PolarHBondContact N-O 2.83Å; K171-D201 WeakPolarHBondContact CA-OD2 3.41Å; K171-D201 HydrophobicContact CB-CB 4.36Å
172V98.9Very high98.3Very high0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-109.8131.2179.2-178.80000110.6L134 L136 T162 A165 R166 V200 D201 G202L134-V172 CarbonylContact O-C 3.59Å; L134-V172 WeakPolarHBondContact O-CA 3.44Å; L136-V172 HydrophobicContact CD1-CG1 3.88Å; L136-V172 HydrophobicContact CG-CG1 4.19Å; T162-V172 HydrophobicContact CG2-CB 4.17Å; T162-V172 HydrophobicContact CG2-CG1 3.94Å; T162-V172 HydrophobicContact CG2-CG2 4.2Å; A165-V172 HydrophobicContact CB-CG2 3.73Å; R166-V172 HydrophobicContact CG-CG2 3.92Å; V172-V200 HydrophobicContact CG1-CG2 4.49Å; V172-V200 WeakPolarHBondContact O-CG2 3.45Å; V172-D201 PolarHBondContact N-OD2 3.33Å; V172-D201 PolarHBondContact O-N 2.88Å; V172-G202 PolarHBondContact O-N 3.36Å
173C98.8Very high98.2Very high0 Ų035.1 Ų35.10%019%0.194CC..EExtended strand (participates in β ladder)trans-114.2125.8170.9179.70000111W133 L134 E135 L136 G202 H251W133-C173 HydrophobicContact CE3-CB 3.77Å; W133-C173 HydrophobicContact CZ3-CB 4.1Å; L134-C173 PolarHBondContact O-N 3.15Å; E135-C173 CarbonylContact C-O 3.58Å; E135-C173 VanDerWaalsContact CA-O 3.25Å; E135-C173 WeakPolarHBondContact CA-O 3.43Å; E135-C173 HydrophobicContact CB-CB 4.34Å; E135-C173 HydrophobicContact CG-CB 4.25Å; L136-C173 PolarHBondContact N-O 3.35Å; C173-G202 CarbonylContact C-O 3.32Å; C173-G202 WeakPolarHBondContact CA-O 3.14Å; C173-H251 PolarHBondContact SG-ND1 3.44Å
174S98.8Very high98.1Very high0 Ų032.7 Ų32.70%019%0.193CC..EExtended strand (participates in β ladder)trans-96.3125.6178.3-63.90000111.3Y158 V200 G202 I203 K204Y158-S174 WeakPolarHBondContact CE2-OG 3.31Å; Y158-S174 VanDerWaalsContact CZ-OG 3.28Å; Y158-S174 PolarHBondContact OH-OG 3.17Å; S174-V200 WeakPolarHBondContact OG-CG2 3.42Å; S174-G202 PolarHBondContact N-O 2.84Å; S174-I203 CarbonylContact O-C 3.56Å; S174-I203 WeakPolarHBondContact O-CA 3.35Å; S174-K204 PolarHBondContact O-N 2.89Å
175H98.6Very high98.1Very high32 Ų3233.6 Ų33.615%0.14820%0.196CC..EExtended strand (participates in β ladder)trans-91.5116176-178-164.7000109.1L136 L138 Q139 K204 H206L136-H175 PolarHBondContact O-N 3.45Å; L138-H175 PolarHBondContact N-O 2.89Å; Q139-H175 WeakPolarHBondContact CA-O 3.28Å; Q139-H175 PolarHBondContact N-O 2.88Å; H175-K204 WeakPolarHBondContact CA-O 3.49Å; H175-K204 HydrophobicContact CB-CB 4.38Å; H175-K204 PolarHBondContact CD2-O 3Å; H175-K204 VanDerWaalsContact CD2-O 3.31Å; H175-H206 AromaticContact CD2-CD2 3.6Å; H175-H206 AromaticContact CD2-NE2 3.78Å; H175-H206 AromaticContact CE1-NE2 3.66Å; H175-H206 AromaticContact NE2-CD2 3Å; H175-H206 PolarHBondContact NE2-CD2 2.78Å; H175-H206 AromaticContact NE2-NE2 2.8Å; H175-H206 PolarHBondContact NE2-NE2 2.81Å
176L98.8Very high98.1Very high2 Ų236.1 Ų36.11%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-119148.8-174.6-54.9-177.9000111.3L138 T191 V195 I203 K204 L205 H206 M240L138-L176 HydrophobicContact CB-CD2 4.31Å; L138-L176 HydrophobicContact CD2-CD2 4.05Å; L138-L176 HydrophobicContact CG-CD2 4.47Å; L176-T191 HydrophobicContact CD1-CG2 4.3Å; L176-T191 HydrophobicContact CD2-CG2 3.92Å; L176-V195 HydrophobicContact CD2-CG2 4.27Å; L176-I203 HydrophobicContact CD1-CG2 3.95Å; L176-I203 HydrophobicContact CG-CG2 4.31Å; L176-K204 PolarHBondContact N-O 2.72Å; L176-L205 HydrophobicContact CB-CD1 3.84Å; L176-H206 PolarHBondContact O-CD2 2.74Å; L176-H206 PolarHBondContact O-N 3.31Å; L176-M240 HydrophobicContact CD1-CE 3.94Å
177I98.6Very high98.1Very high5 Ų534 Ų343%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-121129180-59.8-178.9000109.8F39 Q139 L180 H206 L208F39-I177 HydrophobicContact CD2-CD1 4.1Å; F39-I177 HydrophobicContact CE1-CD1 4.36Å; F39-I177 HydrophobicContact CE2-CD1 3.83Å; F39-I177 HydrophobicContact CG-CD1 4.49Å; F39-I177 HydrophobicContact CZ-CD1 3.97Å; Q139-I177 HydrophobicContact CB-CD1 4.06Å; Q139-I177 HydrophobicContact CB-CG1 4.15Å; Q139-I177 HydrophobicContact CG-CD1 4.11Å; Q139-I177 PolarHBondContact O-N 3.27Å; Q139-I177 VanDerWaalsContact OE1-CD1 3.22Å; Q139-I177 VanDerWaalsContact OE1-CG1 3.23Å; I177-L180 HydrophobicContact CB-CD1 4.14Å; I177-L180 HydrophobicContact CB-CD2 4.14Å; I177-L180 HydrophobicContact CB-CG 3.96Å; I177-L180 HydrophobicContact CD1-CD2 4.38Å; I177-L180 HydrophobicContact CG2-CD2 3.82Å; I177-L180 HydrophobicContact CG2-CG 3.82Å; I177-H206 WeakPolarHBondContact CA-O 3.44Å; I177-H206 WeakPolarHBondContact CG1-NE2 3.39Å; I177-L208 HydrophobicContact CG2-CB 3.75Å; I177-L208 HydrophobicContact CG2-CD1 4.16Å
178V98.7Very high98.1Very high1 Ų127.2 Ų27.21%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-97.3137.3170.8-176.50000109.5L205 H206 P207 L208 I228 Y233 T236 M240V178-L205 HydrophobicContact CG2-CD1 3.59Å; V178-L205 HydrophobicContact CG2-CD2 4.43Å; V178-L205 HydrophobicContact CG2-CG 4.11Å; V178-H206 PolarHBondContact N-O 3.42Å; V178-P207 CarbonylContact O-C 3.52Å; V178-P207 WeakPolarHBondContact O-CA 3.19Å; V178-L208 PolarHBondContact O-N 3.4Å; V178-I228 HydrophobicContact CG1-CD1 3.67Å; V178-Y233 HydrophobicContact CB-CD2 3.79Å; V178-Y233 HydrophobicContact CB-CE2 3.82Å; V178-Y233 HydrophobicContact CG1-CD2 3.91Å; V178-Y233 HydrophobicContact CG1-CE2 4.37Å; V178-Y233 HydrophobicContact CG2-CD2 4.34Å; V178-Y233 HydrophobicContact CG2-CE2 3.97Å; V178-T236 HydrophobicContact CG1-CG2 3.59Å; V178-M240 HydrophobicContact CG2-SD 3.92Å
179G97.9Very high98.2Very high19 Ų1926 Ų2620%0.19618%0.178CC..SBendtrans90.424.7-179.800000114.1L208G179-L208 WeakPolarHBondContact O-CD2 3.33Å
180L98.3Very high98.2Very high2 Ų228.1 Ų28.11%0.0118%0.176CC..  trans-65.7149.6171-71.7172.7000111.1Q139 T140 T145 I149 I177 G182 E183 L208Q139-L180 HydrophobicContact CB-CD1 4.31Å; T140-L180 HydrophobicContact CG2-CD1 3.62Å; T145-L180 HydrophobicContact CG2-CB 3.91Å; T145-L180 HydrophobicContact CG2-CD1 4.06Å; I149-L180 HydrophobicContact CD1-CD1 4.27Å; I149-L180 HydrophobicContact CD1-CD2 4.12Å; I149-L180 HydrophobicContact CG2-CD2 4.33Å; I177-L180 HydrophobicContact CB-CD1 4.14Å; I177-L180 HydrophobicContact CB-CD2 4.14Å; I177-L180 HydrophobicContact CB-CG 3.96Å; I177-L180 HydrophobicContact CD1-CD2 4.38Å; I177-L180 HydrophobicContact CG2-CD2 3.82Å; I177-L180 HydrophobicContact CG2-CG 3.82Å; L180-G182 PolarHBondContact O-N 3.2Å; L180-G182 VanDerWaalsContact O-N 3.12Å; L180-E183 HydrophobicContact CB-CB 4.48Å; L180-E183 HydrophobicContact CB-CG 4.37Å; L180-E183 PolarHBondContact O-N 2.69Å; L180-L208 HydrophobicContact CD2-CD1 4.21Å
181P96Very high98.2Very high19 Ų1928.1 Ų28.112%0.12318%0.176CC..THydrogen-bonded Turntrans-61.8118.3-174.5-2333.3000113.1R148 M216 L225R148-P181 PolarHBondContact NH1-O 2.69Å; P181-M216 HydrophobicContact CG-CE 3.68Å; P181-L225 HydrophobicContact CB-CD1 4.19Å; P181-L225 HydrophobicContact CG-CD1 3.81Å
182G95.6Very high98.2Very high68 Ų6825.2 Ų25.270%0.70116%0.164SC*.THydrogen-bonded Turntrans87.98.918000000114.5L180L180-G182 PolarHBondContact O-N 3.2Å; L180-G182 VanDerWaalsContact O-N 3.12Å
183E97.6Very high98.2Very high21 Ų2131.4 Ų31.410%0.09819%0.193CC..  trans-111.4135.8172.8-63.5-169.8174.200110.4T140 H142 T145 L180 E187T140-E183 WeakPolarHBondContact CB-OE1 3.44Å; T140-E183 PolarHBondContact OG1-OE1 2.87Å; T140-E183 PolarHBondContact OG1-OE2 3.4Å; H142-E183 WeakPolarHBondContact CB-OE1 3.43Å; H142-E183 IonicContact CD2-OE1 3.66Å; H142-E183 PolarHBondContact CD2-OE1 3.45Å; H142-E183 IonicContact CG-OE1 2.67Å; T145-E183 WeakPolarHBondContact CB-OE1 3.44Å; T145-E183 HydrophobicContact CG2-CG 4.15Å; T145-E183 VanDerWaalsContact CG2-OE1 3.23Å; T145-E183 WeakPolarHBondContact CG2-OE1 3.44Å; T145-E183 PolarHBondContact OG1-OE1 3.29Å; L180-E183 HydrophobicContact CB-CB 4.48Å; L180-E183 HydrophobicContact CB-CG 4.37Å; L180-E183 PolarHBondContact O-N 2.69Å; E183-E187 HydrophobicContact CB-CB 3.81Å; E183-E187 HydrophobicContact CB-CG 4.26Å; E183-E187 HydrophobicContact CG-CB 3.87Å; E183-E187 HydrophobicContact CG-CG 4.14Å
184G97.1Very high98.2Very high36 Ų3635.3 Ų35.337%0.37121%0.208SC..  trans-114.2-158167.500000111.4A186 E187 C188G184-A186 VanDerWaalsContact C-N 3.33Å; G184-A186 PolarHBondContact O-N 2.64Å; G184-E187 WeakPolarHBondContact CA-OE2 3.47Å; G184-E187 PolarHBondContact N-OE2 3.04Å; G184-E187 PolarHBondContact O-N 3.11Å; G184-C188 PolarHBondContact O-N 3.37Å; G184-C188 PolarHBondContact O-SG 2.92Å
185Q98.2Very high98.2Very high65 Ų6535.3 Ų35.330%0.30421%0.208SC..Hα-helixtrans-62-39.4-178.7-175.1-177.57500112.5E187 C188 L189 L235 T236 E239Q185-E187 PolarHBondContact O-N 3.4Å; Q185-C188 PolarHBondContact O-N 3.05Å; Q185-L189 HydrophobicContact CG-CD1 4.04Å; Q185-L189 HydrophobicContact CG-CG 4.3Å; Q185-L189 WeakPolarHBondContact O-CG 3.39Å; Q185-L189 PolarHBondContact O-N 2.91Å; Q185-L235 PolarHBondContact NE2-O 2.94Å; Q185-T236 HydrophobicContact CB-CG2 4.26Å; Q185-T236 HydrophobicContact CG-CG2 4.25Å; Q185-E239 VanDerWaalsContact NE2-CG 3.27Å
186A98.6Very high98.2Very high54 Ų5435.7 Ų35.745%0.44621%0.212SC..Hα-helixtrans-61-46.4-178.600000111.8G184 C188 L189 Q190G184-A186 VanDerWaalsContact C-N 3.33Å; G184-A186 PolarHBondContact O-N 2.64Å; A186-C188 VanDerWaalsContact C-N 3.32Å; A186-C188 PolarHBondContact O-N 3.2Å; A186-L189 PolarHBondContact O-N 3.29Å; A186-Q190 VanDerWaalsContact O-CG 3.3Å; A186-Q190 WeakPolarHBondContact O-CG 3.39Å; A186-Q190 PolarHBondContact O-N 2.75Å
187E98.8Very high98.2Very high61 Ų6142.9 Ų42.929%0.28525%0.245SC..Hα-helixtrans-65-37.1177.8-69.174.7-157.900111.9H142 E183 G184 Q185 T191H142-E187 WeakPolarHBondContact NE2-CA 3.3Å; H142-E187 WeakPolarHBondContact NE2-CB 3.49Å; H142-E187 PolarHBondContact NE2-O 3.05Å; E183-E187 HydrophobicContact CB-CB 3.81Å; E183-E187 HydrophobicContact CB-CG 4.26Å; E183-E187 HydrophobicContact CG-CB 3.87Å; E183-E187 HydrophobicContact CG-CG 4.14Å; G184-E187 WeakPolarHBondContact CA-OE2 3.47Å; G184-E187 PolarHBondContact N-OE2 3.04Å; G184-E187 PolarHBondContact O-N 3.11Å; Q185-E187 PolarHBondContact O-N 3.4Å; E187-T191 WeakPolarHBondContact O-CB 3.49Å; E187-T191 PolarHBondContact O-N 3.48Å; E187-T191 PolarHBondContact O-OG1 2.91Å
188C98.8Very high98.2Very high4 Ų443 Ų433%0.02725%0.247CC..Hα-helixtrans-66.1-42176.5-68.10000111.9G184 Q185 A186 T191 L192 T236 M240G184-C188 PolarHBondContact O-N 3.37Å; G184-C188 PolarHBondContact O-SG 2.92Å; Q185-C188 PolarHBondContact O-N 3.05Å; A186-C188 VanDerWaalsContact C-N 3.32Å; A186-C188 PolarHBondContact O-N 3.2Å; C188-T191 WeakPolarHBondContact O-CB 3Å; C188-T191 PolarHBondContact O-N 3.47Å; C188-L192 PolarHBondContact O-N 3.22Å; C188-T236 HydrophobicContact CB-CG2 3.59Å; C188-M240 HydrophobicContact CB-CG 4.34Å; C188-M240 HydrophobicContact CB-SD 3.81Å
189L98.8Very high98.2Very high42 Ų4243.5 Ų43.522%0.2225%0.252CS..Hα-helixtrans-67.9-41.3176.1-72.1175.7000112Q185 A186 T191 L192 E193 E239 M240 H243Q185-L189 HydrophobicContact CG-CD1 4.04Å; Q185-L189 HydrophobicContact CG-CG 4.3Å; Q185-L189 WeakPolarHBondContact O-CG 3.39Å; Q185-L189 PolarHBondContact O-N 2.91Å; A186-L189 PolarHBondContact O-N 3.29Å; L189-T191 VanDerWaalsContact C-N 3.29Å; L189-T191 PolarHBondContact O-N 3.34Å; L189-L192 WeakPolarHBondContact O-CB 3.29Å; L189-L192 PolarHBondContact O-N 3.24Å; L189-E193 WeakPolarHBondContact O-CB 3.37Å; L189-E193 PolarHBondContact O-N 3.46Å; L189-E239 HydrophobicContact CD2-CB 4.21Å; L189-M240 HydrophobicContact CD2-CG 4.2Å; L189-H243 HydrophobicContact CD2-CB 4.33Å
190Q98.8Very high98.2Very high91 Ų9143 Ų4343%0.42525%0.245SC..Hα-helixtrans-61.8-38.5172.5-71.3170.413.300111.8H142 A186 R194H142-Q190 PolarHBondContact CE1-OE1 3.1Å; A186-Q190 VanDerWaalsContact O-CG 3.3Å; A186-Q190 WeakPolarHBondContact O-CG 3.39Å; A186-Q190 PolarHBondContact O-N 2.75Å; Q190-R194 VanDerWaalsContact O-CG 3.26Å; Q190-R194 WeakPolarHBondContact O-CG 3.35Å; Q190-R194 PolarHBondContact O-N 3.34Å; Q190-R194 VanDerWaalsContact O-N 3.13Å
191T98.9Very high98.2Very high4 Ų444.9 Ų44.93%0.02526%0.255CS..Hα-helixtrans-61.7-47173.3-70.10000111.2T140 A141 L176 E187 C188 L189 V195T140-T191 PolarHBondContact OG1-OG1 3.45Å; A141-T191 HydrophobicContact CB-CG2 4.11Å; A141-T191 PolarHBondContact N-OG1 3.35Å; L176-T191 HydrophobicContact CD1-CG2 4.3Å; L176-T191 HydrophobicContact CD2-CG2 3.92Å; E187-T191 WeakPolarHBondContact O-CB 3.49Å; E187-T191 PolarHBondContact O-N 3.48Å; E187-T191 PolarHBondContact O-OG1 2.91Å; C188-T191 WeakPolarHBondContact O-CB 3Å; C188-T191 PolarHBondContact O-N 3.47Å; L189-T191 VanDerWaalsContact C-N 3.29Å; L189-T191 PolarHBondContact O-N 3.34Å; T191-V195 HydrophobicContact CG2-CG2 4.32Å; T191-V195 VanDerWaalsContact O-CB 3.3Å; T191-V195 WeakPolarHBondContact O-CB 3.44Å; T191-V195 WeakPolarHBondContact O-CG2 3.43Å; T191-V195 PolarHBondContact O-N 3.39Å
192L98.9Very high98.4Very high3 Ų344 Ų442%0.01625%0.249CC..Hα-helixtrans-58.6-51.4177.9172.566.9000111.4C188 L189 R194 V195 V196 I203 M240 H243 T244C188-L192 PolarHBondContact O-N 3.22Å; L189-L192 WeakPolarHBondContact O-CB 3.29Å; L189-L192 PolarHBondContact O-N 3.24Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 3.02Å; L192-V195 PolarHBondContact O-N 2.81Å; L192-V196 HydrophobicContact CD1-CG2 3.8Å; L192-V196 HydrophobicContact CG-CG2 4.29Å; L192-V196 WeakPolarHBondContact O-CB 3.32Å; L192-V196 WeakPolarHBondContact O-CG2 3.42Å; L192-V196 PolarHBondContact O-N 3.39Å; L192-I203 HydrophobicContact CD1-CD1 3.49Å; L192-I203 VanDerWaalsContact CD1-CD1 3.49Å; L192-M240 HydrophobicContact CB-CE 4.09Å; L192-M240 HydrophobicContact CD2-CB 4.07Å; L192-M240 HydrophobicContact CD2-CG 4.5Å; L192-M240 WeakPolarHBondContact CD2-O 3.49Å; L192-H243 HydrophobicContact CD2-CB 3.78Å; L192-T244 VanDerWaalsContact CD1-OG1 3.3Å; L192-T244 WeakPolarHBondContact CD1-OG1 3.38Å
193E98.7Very high98.5Very high131 Ų13140.7 Ų40.761%0.61222%0.216SC*.Hα-helixtrans-53-53-179.6-179.3-179.1-166.600110.8L189 V195 V196 E197L189-E193 WeakPolarHBondContact O-CB 3.37Å; L189-E193 PolarHBondContact O-N 3.46Å; E193-V195 VanDerWaalsContact C-N 3.32Å; E193-V195 PolarHBondContact O-N 3.01Å; E193-V196 PolarHBondContact O-N 2.9Å; E193-E197 WeakPolarHBondContact O-CB 3.35Å; E193-E197 PolarHBondContact O-N 3.43Å
194R98.8Very high98.6Very high82 Ų8240.3 Ų40.331%0.30921%0.214SC..Hα-helixtrans-65.3-35.4-178.4-64.5174.372.5-167.92.6112.5A141 F155 Q190 L192 T198A141-R194 HydrophobicContact CB-CB 4.33Å; A141-R194 PolarHBondContact O-NH1 3.44Å; F155-R194 VanDerWaalsContact CD1-CZ 3.46Å; F155-R194 HydrophobicContact CE1-CB 3.87Å; F155-R194 HydrophobicContact CE2-CB 4.28Å; F155-R194 HydrophobicContact CZ-CB 3.47Å; F155-R194 VanDerWaalsContact CZ-CB 3.47Å; Q190-R194 VanDerWaalsContact O-CG 3.26Å; Q190-R194 WeakPolarHBondContact O-CG 3.35Å; Q190-R194 PolarHBondContact O-N 3.34Å; Q190-R194 VanDerWaalsContact O-N 3.13Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 3.02Å; R194-T198 WeakPolarHBondContact O-CB 3.42Å; R194-T198 PolarHBondContact O-N 2.95Å; R194-T198 PolarHBondContact O-OG1 3.24Å
195V98.8Very high98.6Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-69-40.4177162.30000111.5L138 F155 Y158 L176 T191 L192 E193 G199 V200L138-V195 HydrophobicContact CD2-CG2 3.32Å; F155-V195 HydrophobicContact CE2-CG2 4.16Å; Y158-V195 HydrophobicContact CE1-CG2 4.09Å; L176-V195 HydrophobicContact CD2-CG2 4.27Å; T191-V195 HydrophobicContact CG2-CG2 4.32Å; T191-V195 VanDerWaalsContact O-CB 3.3Å; T191-V195 WeakPolarHBondContact O-CB 3.44Å; T191-V195 WeakPolarHBondContact O-CG2 3.43Å; T191-V195 PolarHBondContact O-N 3.39Å; L192-V195 PolarHBondContact O-N 2.81Å; E193-V195 VanDerWaalsContact C-N 3.32Å; E193-V195 PolarHBondContact O-N 3.01Å; V195-G199 PolarHBondContact O-N 3.36Å; V195-V200 HydrophobicContact CG1-CB 3.8Å; V195-V200 HydrophobicContact CG1-CG1 3.64Å; V195-V200 HydrophobicContact CG1-CG2 4.23Å; V195-V200 PolarHBondContact O-N 3.3Å
196V98.7Very high98.6Very high40 Ų4036.2 Ų36.224%0.24219%0.185CC..Hα-helixtrans-67.1-44.3174.6169.50000110.7L192 E193 T198 G199 P245L192-V196 HydrophobicContact CD1-CG2 3.8Å; L192-V196 HydrophobicContact CG-CG2 4.29Å; L192-V196 WeakPolarHBondContact O-CB 3.32Å; L192-V196 WeakPolarHBondContact O-CG2 3.42Å; L192-V196 PolarHBondContact O-N 3.39Å; E193-V196 PolarHBondContact O-N 2.9Å; V196-T198 VanDerWaalsContact C-N 3.3Å; V196-T198 PolarHBondContact O-N 3.13Å; V196-G199 WeakPolarHBondContact O-CA 3.4Å; V196-G199 PolarHBondContact O-N 2.95Å; V196-P245 HydrophobicContact CG1-CG 3.65Å
197E98.5Very high98.5Very high152 Ų15233.7 Ų33.771%0.7116%0.164SC*.Hα-helixtrans-60.9-38.3176.6-173.8-175.2-171.200112.1E193 G199E193-E197 WeakPolarHBondContact O-CB 3.35Å; E193-E197 PolarHBondContact O-N 3.43Å; E197-G199 PolarHBondContact O-N 2.66Å
198T98.6Very high98.5Very high8 Ų830.9 Ų30.95%0.04915%0.151CC..Hα-helixtrans-62.4-24.3172.6-56.20000111.9Y158 Q159 T162 Q163 R194 V196Y158-T198 HydrophobicContact CE1-CG2 3.89Å; Q159-T198 HydrophobicContact CB-CG2 4.17Å; Q159-T198 HydrophobicContact CG-CG2 4.1Å; T162-T198 HydrophobicContact CG2-CG2 3.69Å; Q163-T198 HydrophobicContact CG-CG2 4.47Å; R194-T198 WeakPolarHBondContact O-CB 3.42Å; R194-T198 PolarHBondContact O-N 2.95Å; R194-T198 PolarHBondContact O-OG1 3.24Å; V196-T198 VanDerWaalsContact C-N 3.3Å; V196-T198 PolarHBondContact O-N 3.13Å
199G97.8Very high98.4Very high12 Ų1231.7 Ų31.712%0.12415%0.154CC..THydrogen-bonded Turntrans103.232171.100000114.5R166 V195 V196 E197R166-G199 WeakPolarHBondContact CD-O 3.47Å; R166-G199 PolarHBondContact NE-O 2.9Å; R166-G199 PolarHBondContact NH1-O 3.42Å; V195-G199 PolarHBondContact O-N 3.36Å; V196-G199 WeakPolarHBondContact O-CA 3.4Å; V196-G199 PolarHBondContact O-N 2.95Å; E197-G199 PolarHBondContact O-N 2.66Å
200V98.5Very high98.3Very high7 Ų729.7 Ų29.74%0.04214%0.144CC..  trans-54.7146178.679.70000112.8V172 S174 V195 G202 I203 V248V172-V200 HydrophobicContact CG1-CG2 4.49Å; V172-V200 WeakPolarHBondContact O-CG2 3.45Å; S174-V200 WeakPolarHBondContact OG-CG2 3.42Å; V195-V200 HydrophobicContact CG1-CB 3.8Å; V195-V200 HydrophobicContact CG1-CG1 3.64Å; V195-V200 HydrophobicContact CG1-CG2 4.23Å; V195-V200 PolarHBondContact O-N 3.3Å; V200-G202 WeakPolarHBondContact CG2-O 3.23Å; V200-I203 HydrophobicContact CG1-CD1 4.4Å; V200-I203 HydrophobicContact CG1-CG1 4.1Å; V200-V248 HydrophobicContact CG1-CG1 3.87Å; V200-V248 HydrophobicContact CG1-CG2 4.4Å
201D98.7Very high98.2Very high42 Ų4225.4 Ų25.423%0.22512%0.124CC..SBendtrans-97.2-20.1175.5-52.3-78.3000112.4W133 R166 K171 V172 I249W133-D201 HydrophobicContact CH2-CB 4.05Å; W133-D201 HydrophobicContact CZ3-CB 3.87Å; R166-D201 IonicContact NE-OD1 3.31Å; R166-D201 IonicContact NE-OD2 3.09Å; R166-D201 IonicContact NH2-OD1 3.7Å; K171-D201 WeakPolarHBondContact CA-OD2 3.41Å; K171-D201 HydrophobicContact CB-CB 4.36Å; V172-D201 PolarHBondContact N-OD2 3.33Å; V172-D201 PolarHBondContact O-N 2.88Å; D201-I249 PolarHBondContact O-N 2.93Å
202G98.7Very high98.1Very high0 Ų031.2 Ų31.20%015%0.149CC..EExtended strand (participates in β ladder)trans-154.7158.5177.200000114.6V172 C173 S174 V200 I249V172-G202 PolarHBondContact O-N 3.36Å; C173-G202 CarbonylContact C-O 3.32Å; C173-G202 WeakPolarHBondContact CA-O 3.14Å; S174-G202 PolarHBondContact N-O 2.84Å; V200-G202 WeakPolarHBondContact CG2-O 3.23Å; G202-I249 CarbonylContact C-O 3.53Å; G202-I249 WeakPolarHBondContact CA-O 3.42Å
203I98.8Very high97.8Very high0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-126.2136.8-179.5-65.3173.3000110.2S174 L176 L192 V200 L205 T244 V248 I249 Y250 H251S174-I203 CarbonylContact O-C 3.56Å; S174-I203 WeakPolarHBondContact O-CA 3.35Å; L176-I203 HydrophobicContact CD1-CG2 3.95Å; L176-I203 HydrophobicContact CG-CG2 4.31Å; L192-I203 HydrophobicContact CD1-CD1 3.49Å; L192-I203 VanDerWaalsContact CD1-CD1 3.49Å; V200-I203 HydrophobicContact CG1-CD1 4.4Å; V200-I203 HydrophobicContact CG1-CG1 4.1Å; I203-L205 HydrophobicContact CG2-CB 4.22Å; I203-T244 HydrophobicContact CD1-CG2 4.19Å; I203-V248 HydrophobicContact CD1-CG1 3.9Å; I203-V248 HydrophobicContact CG1-CG1 3.82Å; I203-I249 PolarHBondContact N-O 3.13Å; I203-Y250 HydrophobicContact CB-CD1 3.92Å; I203-Y250 HydrophobicContact CB-CE1 3.8Å; I203-Y250 HydrophobicContact CG2-CD1 3.93Å; I203-Y250 HydrophobicContact CG2-CE1 3.52Å; I203-Y250 CarbonylContact O-C 3.44Å; I203-Y250 WeakPolarHBondContact O-CA 3.24Å; I203-H251 PolarHBondContact O-N 2.97Å
204K98.3Very high97.7Very high12 Ų1228.1 Ų28.15%0.05215%0.153CC..EExtended strand (participates in β ladder)trans-114.798.8170.5-171-176-179.9-178.90108.3Y75 E135 S174 H175 L176 H251 R252Y75-K204 PolarHBondContact OH-NZ 3.29Å; E135-K204 WeakPolarHBondContact OE1-CD 3.23Å; E135-K204 WeakPolarHBondContact OE1-CE 3.27Å; E135-K204 IonicContact OE1-NZ 3.65Å; E135-K204 PolarHBondContact OE1-NZ 3.27Å; E135-K204 IonicContact OE2-NZ 3.71Å; S174-K204 PolarHBondContact O-N 2.89Å; H175-K204 WeakPolarHBondContact CA-O 3.49Å; H175-K204 HydrophobicContact CB-CB 4.38Å; H175-K204 PolarHBondContact CD2-O 3Å; H175-K204 VanDerWaalsContact CD2-O 3.31Å; L176-K204 PolarHBondContact N-O 2.72Å; K204-H251 HydrophobicContact CB-CB 4.23Å; K204-R252 VanDerWaalsContact CE-CZ 3.44Å; K204-R252 HydrophobicContact CG-CB 4.41Å; K204-R252 VanDerWaalsContact CG-CD 3.43Å; K204-R252 HydrophobicContact CG-CG 3.49Å; K204-R252 VanDerWaalsContact CG-CG 3.49Å
205L98.4Very high97.5Very high0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-100.9140.9-174.7-169.665.5000111L176 V178 I203 A237 M240 Y250 R252 I253 S254L176-L205 HydrophobicContact CB-CD1 3.84Å; V178-L205 HydrophobicContact CG2-CD1 3.59Å; V178-L205 HydrophobicContact CG2-CD2 4.43Å; V178-L205 HydrophobicContact CG2-CG 4.11Å; I203-L205 HydrophobicContact CG2-CB 4.22Å; L205-A237 HydrophobicContact CD2-CB 3.57Å; L205-M240 HydrophobicContact CD1-CE 3.83Å; L205-M240 HydrophobicContact CD1-SD 3.91Å; L205-M240 HydrophobicContact CD2-SD 4.19Å; L205-Y250 HydrophobicContact CB-CD1 4.38Å; L205-Y250 HydrophobicContact CB-CE1 4.03Å; L205-Y250 HydrophobicContact CD2-CE1 4.16Å; L205-R252 PolarHBondContact N-O 3.01Å; L205-R252 VanDerWaalsContact O-CG 3.27Å; L205-R252 WeakPolarHBondContact O-CG 3.41Å; L205-I253 CarbonylContact O-C 3.59Å; L205-S254 PolarHBondContact O-N 3.09Å
206H97.2Very high97.5Very high16 Ų1628.8 Ų28.87%0.07416%0.161CC..EExtended strand (participates in β ladder)trans-157.1160.6170.275.5105.1000112.8H175 L176 I177 V178 R252 A255H175-H206 AromaticContact CD2-CD2 3.6Å; H175-H206 AromaticContact CD2-NE2 3.78Å; H175-H206 AromaticContact CE1-NE2 3.66Å; H175-H206 AromaticContact NE2-CD2 3Å; H175-H206 PolarHBondContact NE2-CD2 2.78Å; H175-H206 AromaticContact NE2-NE2 2.8Å; H175-H206 PolarHBondContact NE2-NE2 2.81Å; L176-H206 PolarHBondContact O-CD2 2.74Å; L176-H206 PolarHBondContact O-N 3.31Å; I177-H206 WeakPolarHBondContact CA-O 3.44Å; I177-H206 WeakPolarHBondContact CG1-NE2 3.39Å; V178-H206 PolarHBondContact N-O 3.42Å; H206-R252 PolarHBondContact CD2-NH2 3.43Å; H206-R252 PolarHBondContact NE2-NH2 2.88Å; H206-A255 HydrophobicContact CB-CB 3.62Å
207P97.7Very high97.4Very high0 Ų027 Ų270%015%0.15CC..EExtended strand (participates in β ladder)trans-69.6149.8171.230.3-38.1000111.3V178 H209 I228 Y233 W267 C268V178-P207 CarbonylContact O-C 3.52Å; V178-P207 WeakPolarHBondContact O-CA 3.19Å; P207-H209 PolarHBondContact O-CD2 3.43Å; P207-H209 PolarHBondContact O-N 2.93Å; P207-H209 VanDerWaalsContact O-N 3.15Å; P207-I228 HydrophobicContact CB-CG2 3.84Å; P207-Y233 HydrophobicContact CB-CD2 3.66Å; P207-Y233 HydrophobicContact CB-CE2 3.81Å; P207-Y233 HydrophobicContact CB-CG 4.17Å; P207-Y233 HydrophobicContact CG-CD2 4.43Å; P207-Y233 HydrophobicContact CG-CE2 4.23Å; P207-Y233 VanDerWaalsContact N-CE2 3.31Å; P207-W267 HydrophobicContact CB-CH2 3.56Å; P207-W267 HydrophobicContact CB-CZ2 3.84Å; P207-W267 HydrophobicContact CG-CH2 3.43Å; P207-W267 VanDerWaalsContact CG-CH2 3.43Å; P207-W267 HydrophobicContact CG-CZ2 4.14Å; P207-W267 HydrophobicContact CG-CZ3 3.99Å; P207-C268 WeakPolarHBondContact CG-SG 3.14Å
208L97.8Very high97.3Very high2 Ų226.5 Ų26.51%0.0115%0.146CC..PPolyproline II helixtrans-57.9119.8169.9176.663.1000109.5F39 I177 V178 G179 L180 M216 P265F39-L208 HydrophobicContact CB-CD1 3.75Å; F39-L208 HydrophobicContact CG-CD1 4.46Å; I177-L208 HydrophobicContact CG2-CB 3.75Å; I177-L208 HydrophobicContact CG2-CD1 4.16Å; V178-L208 PolarHBondContact O-N 3.4Å; G179-L208 WeakPolarHBondContact O-CD2 3.33Å; L180-L208 HydrophobicContact CD2-CD1 4.21Å; L208-M216 HydrophobicContact CD1-CE 4.44Å; L208-M216 HydrophobicContact CD1-SD 3.85Å; L208-M216 HydrophobicContact CD2-CE 4.36Å; L208-M216 HydrophobicContact CD2-SD 3.79Å; L208-M216 HydrophobicContact CG-SD 4.35Å; L208-P265 VanDerWaalsContact O-CD 3.23Å; L208-P265 WeakPolarHBondContact O-CD 3.48Å
209H97.2Very high97.2Very high21 Ų2127.1 Ų27.110%0.09715%0.152CC..PPolyproline II helixtrans-93.9125.4167.7-62.2169.7000109.5P207 V211 L262 C268P207-H209 PolarHBondContact O-CD2 3.43Å; P207-H209 PolarHBondContact O-N 2.93Å; P207-H209 VanDerWaalsContact O-N 3.15Å; H209-V211 HydrophobicContact CB-CG1 3.82Å; H209-L262 HydrophobicContact CB-CD1 4.17Å; H209-C268 WeakPolarHBondContact NE2-CB 3.31Å
210I97.7Very high97.2Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-88.5110.6165.6-56.6179.7000106.8A217 W220 L225 L263 A264I210-A217 HydrophobicContact CG2-CB 4.37Å; I210-W220 HydrophobicContact CD1-CB 4.02Å; I210-W220 VanDerWaalsContact CD1-CD1 3.47Å; I210-W220 HydrophobicContact CD1-CG 3.92Å; I210-W220 HydrophobicContact CG2-CB 3.74Å; I210-W220 HydrophobicContact CG2-CG 4.01Å; I210-L225 HydrophobicContact CD1-CD2 3.78Å; I210-L225 HydrophobicContact CD1-CG 3.88Å; I210-L225 HydrophobicContact CG1-CD2 4.28Å; I210-L263 HydrophobicContact CG2-CB 4.33Å; I210-L263 WeakPolarHBondContact O-CA 3.3Å; I210-L263 WeakPolarHBondContact O-CB 3.26Å; I210-L263 PolarHBondContact O-N 2.93Å; I210-A264 HydrophobicContact CB-CB 4.19Å; I210-A264 HydrophobicContact CD1-CB 4.17Å; I210-A264 HydrophobicContact CG1-CB 4.47Å; I210-A264 PolarHBondContact N-O 2.71Å; I210-A264 PolarHBondContact O-N 2.97Å
211V96.5Very high97.1Very high2 Ų236.7 Ų36.71%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-118.3140.8-172.3-64.40000111.6N41 H209 G213 S214 A217 T261N41-V211 HydrophobicContact CB-CG2 3.72Å; H209-V211 HydrophobicContact CB-CG1 3.82Å; V211-G213 PolarHBondContact O-N 2.89Å; V211-S214 VanDerWaalsContact O-CB 3.25Å; V211-S214 WeakPolarHBondContact O-CB 3.43Å; V211-S214 PolarHBondContact O-N 3.09Å; V211-S214 VanDerWaalsContact O-N 3.08Å; V211-S214 PolarHBondContact O-OG 3.48Å; V211-A217 WeakPolarHBondContact O-CB 3.45Å; V211-T261 CarbonylContact C-O 3.48Å; V211-T261 VanDerWaalsContact CA-O 3.23Å; V211-T261 WeakPolarHBondContact CA-O 3.12Å; V211-T261 HydrophobicContact CB-CG2 4.37Å
212K95.7Very high97.1Very high125 Ų12537.6 Ų37.654%0.54320%0.202SC..THydrogen-bonded Turntrans-50.4137.2178.6-172.7175.4-177.4176.60110.5N41 S214 T261 L263N41-K212 PolarHBondContact ND2-O 3.24Å; K212-S214 VanDerWaalsContact C-N 3.28Å; K212-S214 PolarHBondContact O-N 3.01Å; K212-T261 PolarHBondContact N-O 3.5Å; K212-L263 HydrophobicContact CB-CD1 4.45Å; K212-L263 HydrophobicContact CB-CD2 4.4Å; K212-L263 HydrophobicContact CB-CG 4.4Å
213G93.6Very high96.9Very high67 Ų6740.6 Ų40.669%0.69123%0.233SC*.THydrogen-bonded Turntrans83.7-7.6-178.800000115.2V211V211-G213 PolarHBondContact O-N 2.89Å
214S95.8Very high96.8Very high3 Ų349.7 Ų49.72%0.02127%0.268CS..SBendtrans-79.4161.1170.771.20000111.9T38 V211 K212 M216 A217T38-S214 WeakPolarHBondContact O-CB 3.37Å; V211-S214 VanDerWaalsContact O-CB 3.25Å; V211-S214 WeakPolarHBondContact O-CB 3.43Å; V211-S214 PolarHBondContact O-N 3.09Å; V211-S214 VanDerWaalsContact O-N 3.08Å; V211-S214 PolarHBondContact O-OG 3.48Å; K212-S214 VanDerWaalsContact C-N 3.28Å; K212-S214 PolarHBondContact O-N 3.01Å; S214-M216 VanDerWaalsContact C-N 3.26Å; S214-M216 PolarHBondContact O-N 2.85Å; S214-A217 WeakPolarHBondContact O-CB 3.3Å; S214-A217 PolarHBondContact O-N 3.49Å; S214-A217 PolarHBondContact OG-N 3.32Å
215I95.6Very high96.6Very high88 Ų8850.2 Ų50.245%0.45127%0.271SS..Hα-helixtrans-65.3-37172.3-64.8172.6000109.9T38 A217 K218 A219T38-I215 HydrophobicContact CG2-CB 4.22Å; T38-I215 HydrophobicContact CG2-CD1 4.15Å; T38-I215 HydrophobicContact CG2-CG2 4.16Å; T38-I215 PolarHBondContact O-N 3.25Å; I215-A217 VanDerWaalsContact C-N 3.27Å; I215-A217 PolarHBondContact O-N 3.34Å; I215-K218 WeakPolarHBondContact O-CB 3.47Å; I215-K218 PolarHBondContact O-N 3.2Å; I215-K218 VanDerWaalsContact O-N 3.16Å; I215-A219 PolarHBondContact O-N 3.18Å
216M97.2Very high96.4Very high7 Ų756.3 Ų56.33%0.03430%0.303CS..Hα-helixtrans-62.8-32175.9-75.5-168.7-178.500112.8T38 F39 I149 P181 L208 S214 K218 A219 W220 L225T38-M216 WeakPolarHBondContact O-CG 3.33Å; T38-M216 PolarHBondContact O-N 3.1Å; T38-M216 VanDerWaalsContact OG1-CE 3.23Å; T38-M216 WeakPolarHBondContact OG1-CE 3.35Å; F39-M216 HydrophobicContact CB-CE 3.95Å; F39-M216 HydrophobicContact CB-CG 4.48Å; F39-M216 HydrophobicContact CB-SD 3.57Å; F39-M216 VanDerWaalsContact CB-SD 3.57Å; I149-M216 HydrophobicContact CB-CE 4.32Å; I149-M216 HydrophobicContact CG2-CE 3.66Å; P181-M216 HydrophobicContact CG-CE 3.68Å; L208-M216 HydrophobicContact CD1-CE 4.44Å; L208-M216 HydrophobicContact CD1-SD 3.85Å; L208-M216 HydrophobicContact CD2-CE 4.36Å; L208-M216 HydrophobicContact CD2-SD 3.79Å; L208-M216 HydrophobicContact CG-SD 4.35Å; S214-M216 VanDerWaalsContact C-N 3.26Å; S214-M216 PolarHBondContact O-N 2.85Å; M216-K218 VanDerWaalsContact C-N 3.34Å; M216-K218 PolarHBondContact O-N 3.42Å; M216-A219 PolarHBondContact O-N 2.84Å; M216-W220 WeakPolarHBondContact O-CB 3.37Å; M216-W220 PolarHBondContact O-N 3.27Å; M216-L225 HydrophobicContact CB-CD2 3.75Å; M216-L225 HydrophobicContact CG-CD2 3.81Å; M216-L225 HydrophobicContact SD-CD2 3.96Å
217A96.9Very high96.4Very high2 Ų256.2 Ų56.22%0.01731%0.307CS..Hα-helixtrans-58.9-45.1172.300000111.9I210 V211 S214 I215 A219 W220 E221 L263I210-A217 HydrophobicContact CG2-CB 4.37Å; V211-A217 WeakPolarHBondContact O-CB 3.45Å; S214-A217 WeakPolarHBondContact O-CB 3.3Å; S214-A217 PolarHBondContact O-N 3.49Å; S214-A217 PolarHBondContact OG-N 3.32Å; I215-A217 VanDerWaalsContact C-N 3.27Å; I215-A217 PolarHBondContact O-N 3.34Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.68Å; A217-W220 PolarHBondContact O-N 2.8Å; A217-E221 WeakPolarHBondContact O-CB 3.04Å; A217-E221 VanDerWaalsContact O-CG 3.29Å; A217-E221 WeakPolarHBondContact O-CG 3.41Å; A217-E221 PolarHBondContact O-N 3Å; A217-L263 HydrophobicContact CB-CD1 3.51Å
218K96.8Very high96.3Very high143 Ų14357.2 Ų57.262%0.62231%0.312SS*.Hα-helixtrans-63.1-35.3176.6-59.5-177.5-179.9-178.30112.3I215 M216 A222I215-K218 WeakPolarHBondContact O-CB 3.47Å; I215-K218 PolarHBondContact O-N 3.2Å; I215-K218 VanDerWaalsContact O-N 3.16Å; M216-K218 VanDerWaalsContact C-N 3.34Å; M216-K218 PolarHBondContact O-N 3.42Å; K218-A222 WeakPolarHBondContact O-CB 3.41Å; K218-A222 PolarHBondContact O-N 3.4Å
219A96.6Very high96.3Very high21 Ų2163 Ų6317%0.17434%0.339CS..Hα-helixtrans-69.4-40.2176.100000111.8I215 M216 A217 A222 G223 R224 L225I215-A219 PolarHBondContact O-N 3.18Å; M216-A219 PolarHBondContact O-N 2.84Å; A217-A219 VanDerWaalsContact C-N 3.28Å; A217-A219 PolarHBondContact O-N 2.68Å; A219-A222 PolarHBondContact O-N 3.16Å; A219-G223 PolarHBondContact O-N 3.38Å; A219-R224 WeakPolarHBondContact O-CB 3.23Å; A219-R224 PolarHBondContact O-N 2.95Å; A219-L225 HydrophobicContact CB-CB 4.09Å
220W97.6Very high96.4Very high92 Ų9263.9 Ų63.935%0.34834%0.344SS..Hα-helixtrans-66.6-46.6176.8-179.485.6000112.3I210 M216 A217 A222 G223 L225 L263 A264I210-W220 HydrophobicContact CD1-CB 4.02Å; I210-W220 VanDerWaalsContact CD1-CD1 3.47Å; I210-W220 HydrophobicContact CD1-CG 3.92Å; I210-W220 HydrophobicContact CG2-CB 3.74Å; I210-W220 HydrophobicContact CG2-CG 4.01Å; M216-W220 WeakPolarHBondContact O-CB 3.37Å; M216-W220 PolarHBondContact O-N 3.27Å; A217-W220 PolarHBondContact O-N 2.8Å; W220-A222 PolarHBondContact O-N 3.05Å; W220-G223 PolarHBondContact O-N 2.94Å; W220-L225 WeakPolarHBondContact CA-O 3.27Å; W220-L263 HydrophobicContact CE3-CB 4.18Å; W220-L263 HydrophobicContact CE3-CD1 4.29Å; W220-L263 HydrophobicContact CZ3-CB 4.16Å; W220-A264 HydrophobicContact CZ2-CB 4.31Å
221E96.8Very high96.4Very high127 Ų12771.4 Ų71.459%0.59338%0.379SS*.Hα-helixtrans-58.4-31.1175-72.3166.9177.800112.1A217 G223A217-E221 WeakPolarHBondContact O-CB 3.04Å; A217-E221 VanDerWaalsContact O-CG 3.29Å; A217-E221 WeakPolarHBondContact O-CG 3.41Å; A217-E221 PolarHBondContact O-N 3Å; E221-G223 VanDerWaalsContact C-N 3.32Å
222A97.4Very high96.5Very high61 Ų6175.5 Ų75.550%0.50440%0.401SS..THydrogen-bonded Turntrans-85.85.6175.400000114.2K218 A219 W220 R224K218-A222 WeakPolarHBondContact O-CB 3.41Å; K218-A222 PolarHBondContact O-N 3.4Å; A219-A222 PolarHBondContact O-N 3.16Å; W220-A222 PolarHBondContact O-N 3.05Å; A222-R224 VanDerWaalsContact C-N 3.28Å; A222-R224 HydrophobicContact CB-CG 4.41Å; A222-R224 PolarHBondContact O-N 3.37Å
223G96.4Very high96.6Very high63 Ų6369.5 Ų69.565%0.64938%0.375SS*.THydrogen-bonded Turntrans69.818-179.600000115.1A219 W220 E221A219-G223 PolarHBondContact O-N 3.38Å; W220-G223 PolarHBondContact O-N 2.94Å; E221-G223 VanDerWaalsContact C-N 3.32Å
224R95.2Very high96.8Very high192 Ų19266.9 Ų66.973%0.72535%0.346SS*.SBendtrans-99.4-3.5-177.1-63.1-174.3-67.4162.5-2.4114A219 A222A219-R224 WeakPolarHBondContact O-CB 3.23Å; A219-R224 PolarHBondContact O-N 2.95Å; A222-R224 VanDerWaalsContact C-N 3.28Å; A222-R224 HydrophobicContact CB-CG 4.41Å; A222-R224 PolarHBondContact O-N 3.37Å
225L95.6Very high96.9Very high23 Ų2370.4 Ų70.412%0.1236%0.364CS..  trans-147.4136.4179.1179.964.6000108.3P181 I210 M216 A219 W220P181-L225 HydrophobicContact CB-CD1 4.19Å; P181-L225 HydrophobicContact CG-CD1 3.81Å; I210-L225 HydrophobicContact CD1-CD2 3.78Å; I210-L225 HydrophobicContact CD1-CG 3.88Å; I210-L225 HydrophobicContact CG1-CD2 4.28Å; M216-L225 HydrophobicContact CB-CD2 3.75Å; M216-L225 HydrophobicContact CG-CD2 3.81Å; M216-L225 HydrophobicContact SD-CD2 3.96Å; A219-L225 HydrophobicContact CB-CB 4.09Å; W220-L225 WeakPolarHBondContact CA-O 3.27Å
226N94.1Very high97.1Very high128 Ų12866.7 Ų66.768%0.68435%0.345SS*.  trans-107.9154.5173.4-65.7-37.4000110.1
227G95.4Very high97.2Very high14 Ų1466.4 Ų66.414%0.14434%0.344CS..PPolyproline II helixtrans-71.7153164.900000109.8
228I97.3Very high97.3Very high21 Ų2166.3 Ų66.311%0.10834%0.343CS..PPolyproline II helixtrans-69.4135173.4-175.2169.1000110.5V178 P207 D232 Y233 P265 W267V178-I228 HydrophobicContact CG1-CD1 3.67Å; P207-I228 HydrophobicContact CB-CG2 3.84Å; I228-D232 HydrophobicContact CD1-CB 4.22Å; I228-D232 HydrophobicContact CG1-CB 3.87Å; I228-Y233 HydrophobicContact CD1-CD2 4.42Å; I228-P265 HydrophobicContact CG2-CG 4.15Å; I228-P265 VanDerWaalsContact O-CB 3.22Å; I228-P265 WeakPolarHBondContact O-CB 3.42Å; I228-P265 WeakPolarHBondContact O-CG 3.31Å; I228-W267 HydrophobicContact CG2-CZ2 4.23Å; I228-W267 PolarHBondContact O-NE1 2.85Å
229E97.7Very high97.3Very high122 Ų12260.6 Ų60.657%0.5732%0.319SS*.PPolyproline II helixtrans-71152174.6-65.9-55.4141.400111.3E231 D232 Y233E229-E231 VanDerWaalsContact C-N 3.26Å; E229-E231 PolarHBondContact O-N 3.25Å; E229-D232 HydrophobicContact CB-CB 4.48Å; E229-D232 PolarHBondContact O-N 3.33Å; E229-Y233 PolarHBondContact O-N 2.84Å
230L97.8Very high97.5Very high40 Ų4059.8 Ų59.821%0.20931%0.311CS..Hα-helixtrans-61.2-38.5-177.317658.8000111.7Y233 T234 W267 T273 E277L230-Y233 PolarHBondContact O-N 2.77Å; L230-T234 VanDerWaalsContact O-CB 3.31Å; L230-T234 WeakPolarHBondContact O-CB 3.42Å; L230-T234 PolarHBondContact O-N 3.41Å; L230-T234 PolarHBondContact O-OG1 2.85Å; L230-W267 HydrophobicContact CB-CD2 4.2Å; L230-W267 HydrophobicContact CB-CG 4.09Å; L230-W267 HydrophobicContact CD1-CD2 3.9Å; L230-W267 HydrophobicContact CD1-CE3 3.81Å; L230-W267 HydrophobicContact CD1-CG 4.44Å; L230-W267 HydrophobicContact CD1-CH2 4.28Å; L230-W267 HydrophobicContact CD1-CZ2 4.39Å; L230-W267 HydrophobicContact CD1-CZ3 4.01Å; L230-T273 HydrophobicContact CD1-CG2 4.28Å; L230-T273 HydrophobicContact CD2-CG2 3.63Å; L230-E277 HydrophobicContact CD1-CB 4.4Å; L230-E277 HydrophobicContact CD1-CG 4.16Å; L230-E277 HydrophobicContact CD2-CG 3.93Å; L230-E277 HydrophobicContact CG-CG 4.15Å
231E97.8Very high97.5Very high158 Ų15855.7 Ų55.774%0.73830%0.296SS*.Hα-helixtrans-64.7-49.4177.7-173.2172.9-173.900111.3E229 Y233 T234 L235E229-E231 VanDerWaalsContact C-N 3.26Å; E229-E231 PolarHBondContact O-N 3.25Å; E231-Y233 VanDerWaalsContact C-N 3.31Å; E231-Y233 PolarHBondContact O-N 3.22Å; E231-T234 PolarHBondContact O-N 2.55Å; E231-T234 VanDerWaalsContact O-N 3.12Å; E231-L235 WeakPolarHBondContact O-CB 3.38Å; E231-L235 PolarHBondContact O-N 3.27Å
232D98.1Very high97.6Very high88 Ų8852 Ų5247%0.47128%0.277SS..Hα-helixtrans-59.1-41.8176.8-68.2-30.2000112.1I228 E229 T236I228-D232 HydrophobicContact CD1-CB 4.22Å; I228-D232 HydrophobicContact CG1-CB 3.87Å; E229-D232 HydrophobicContact CB-CB 4.48Å; E229-D232 PolarHBondContact O-N 3.33Å; D232-T236 VanDerWaalsContact O-CB 3.25Å; D232-T236 WeakPolarHBondContact O-CB 3.27Å; D232-T236 PolarHBondContact O-N 3.39Å; D232-T236 PolarHBondContact O-OG1 3.48Å
233Y98.4Very high97.7Very high0 Ų052.1 Ų52.10%027%0.267CS..Hα-helixtrans-63.3-47.2175.1177.8-104.2000111.3V178 P207 I228 E229 L230 E231 T236 A237 I253 W267 L278V178-Y233 HydrophobicContact CB-CD2 3.79Å; V178-Y233 HydrophobicContact CB-CE2 3.82Å; V178-Y233 HydrophobicContact CG1-CD2 3.91Å; V178-Y233 HydrophobicContact CG1-CE2 4.37Å; V178-Y233 HydrophobicContact CG2-CD2 4.34Å; V178-Y233 HydrophobicContact CG2-CE2 3.97Å; P207-Y233 HydrophobicContact CB-CD2 3.66Å; P207-Y233 HydrophobicContact CB-CE2 3.81Å; P207-Y233 HydrophobicContact CB-CG 4.17Å; P207-Y233 HydrophobicContact CG-CD2 4.43Å; P207-Y233 HydrophobicContact CG-CE2 4.23Å; P207-Y233 VanDerWaalsContact N-CE2 3.31Å; I228-Y233 HydrophobicContact CD1-CD2 4.42Å; E229-Y233 PolarHBondContact O-N 2.84Å; L230-Y233 PolarHBondContact O-N 2.77Å; E231-Y233 VanDerWaalsContact C-N 3.31Å; E231-Y233 PolarHBondContact O-N 3.22Å; Y233-T236 PolarHBondContact O-N 3.13Å; Y233-A237 HydrophobicContact CD2-CB 4.36Å; Y233-A237 HydrophobicContact CE1-CB 4.17Å; Y233-A237 HydrophobicContact CE2-CB 3.92Å; Y233-A237 WeakPolarHBondContact O-CB 3.2Å; Y233-A237 PolarHBondContact O-N 2.82Å; Y233-I253 PolarHBondContact OH-O 3.12Å; Y233-W267 AromaticContact CD1-CH2 3.48Å; Y233-W267 HydrophobicContact CD1-CH2 3.48Å; Y233-W267 VanDerWaalsContact CD1-CH2 3.48Å; Y233-W267 HydrophobicContact CD1-CZ2 4.25Å; Y233-W267 HydrophobicContact CD1-CZ3 4.23Å; Y233-W267 HydrophobicContact CD2-CH2 4.34Å; Y233-W267 HydrophobicContact CE1-CH2 4.1Å; Y233-W267 AromaticContact CG-CH2 3.61Å; Y233-W267 HydrophobicContact CG-CH2 3.61Å; Y233-W267 AromaticContact CG-CZ2 4Å; Y233-W267 HydrophobicContact CG-CZ2 4Å; Y233-L278 HydrophobicContact CE1-CD1 3.8Å; Y233-L278 HydrophobicContact CE1-CG 4.45Å
234T98.5Very high97.8Very high12 Ų1249.1 Ų49.17%0.07424%0.236CC..Hα-helixtrans-62.6-47.3-177.2-60.20000110.8L230 E231 G238 E277 L278 Y281L230-T234 VanDerWaalsContact O-CB 3.31Å; L230-T234 WeakPolarHBondContact O-CB 3.42Å; L230-T234 PolarHBondContact O-N 3.41Å; L230-T234 PolarHBondContact O-OG1 2.85Å; E231-T234 PolarHBondContact O-N 2.55Å; E231-T234 VanDerWaalsContact O-N 3.12Å; T234-G238 WeakPolarHBondContact O-CA 3.23Å; T234-G238 PolarHBondContact O-N 2.81Å; T234-E277 HydrophobicContact CG2-CB 3.94Å; T234-E277 WeakPolarHBondContact CG2-O 3.21Å; T234-E277 WeakPolarHBondContact OG1-CB 3.4Å; T234-L278 HydrophobicContact CG2-CD2 4.31Å; T234-L278 WeakPolarHBondContact O-CD2 2.99Å; T234-Y281 HydrophobicContact CG2-CD2 4.14Å; T234-Y281 HydrophobicContact CG2-CG 4.2Å
235L98.5Very high97.9Very high77 Ų7740.5 Ų40.540%0.40321%0.205SC..Hα-helixtrans-62.9-45.7177.4177.9134.7000111.5Q185 E231 E239Q185-L235 PolarHBondContact NE2-O 2.94Å; E231-L235 WeakPolarHBondContact O-CB 3.38Å; E231-L235 PolarHBondContact O-N 3.27Å; L235-E239 WeakPolarHBondContact O-CG 3.45Å; L235-E239 PolarHBondContact O-N 2.82Å; L235-E239 VanDerWaalsContact O-N 3.13Å
236T98.7Very high98Very high10 Ų1040.9 Ų40.96%0.06121%0.208CC..Hα-helixtrans-69.8-51.2-179-58.10000112.3V178 Q185 C188 D232 Y233 G238 E239 M240V178-T236 HydrophobicContact CG1-CG2 3.59Å; Q185-T236 HydrophobicContact CB-CG2 4.26Å; Q185-T236 HydrophobicContact CG-CG2 4.25Å; C188-T236 HydrophobicContact CB-CG2 3.59Å; D232-T236 VanDerWaalsContact O-CB 3.25Å; D232-T236 WeakPolarHBondContact O-CB 3.27Å; D232-T236 PolarHBondContact O-N 3.39Å; D232-T236 PolarHBondContact O-OG1 3.48Å; Y233-T236 PolarHBondContact O-N 3.13Å; T236-G238 VanDerWaalsContact C-N 3.33Å; T236-G238 PolarHBondContact O-N 3.4Å; T236-E239 PolarHBondContact O-N 2.67Å; T236-M240 HydrophobicContact CG2-SD 4.5Å; T236-M240 WeakPolarHBondContact O-CG 3.45Å; T236-M240 PolarHBondContact O-N 3.32Å
237A98.7Very high98.1Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-68.7-32.7-179.400000112L205 Y233 M240 I241 L278L205-A237 HydrophobicContact CD2-CB 3.57Å; Y233-A237 HydrophobicContact CD2-CB 4.36Å; Y233-A237 HydrophobicContact CE1-CB 4.17Å; Y233-A237 HydrophobicContact CE2-CB 3.92Å; Y233-A237 WeakPolarHBondContact O-CB 3.2Å; Y233-A237 PolarHBondContact O-N 2.82Å; A237-M240 PolarHBondContact O-N 3.36Å; A237-I241 WeakPolarHBondContact O-CD1 3.3Å; A237-I241 VanDerWaalsContact O-CG1 3.23Å; A237-I241 WeakPolarHBondContact O-CG1 3.34Å; A237-I241 PolarHBondContact O-N 3.24Å; A237-L278 HydrophobicContact CB-CD1 4.19Å; A237-L278 HydrophobicContact CB-CD2 3.85Å
238G98.7Very high98.2Very high0 Ų039.7 Ų39.70%020%0.195CC..Hα-helixtrans-60.2-50172.700000111.8T234 T236 M240 I241 R242 L278T234-G238 WeakPolarHBondContact O-CA 3.23Å; T234-G238 PolarHBondContact O-N 2.81Å; T236-G238 VanDerWaalsContact C-N 3.33Å; T236-G238 PolarHBondContact O-N 3.4Å; G238-M240 VanDerWaalsContact C-N 3.35Å; G238-M240 PolarHBondContact O-N 3.25Å; G238-I241 PolarHBondContact O-N 3.1Å; G238-I241 VanDerWaalsContact O-N 3.13Å; G238-R242 WeakPolarHBondContact O-CG 3.25Å; G238-R242 PolarHBondContact O-N 2.98Å; G238-L278 VanDerWaalsContact N-CD2 3.35Å
239E98.8Very high98.2Very high24 Ų2440.3 Ų40.311%0.11220%0.199CC..Hα-helixtrans-62-40.9175.2-76-53.7102.500112.5Q185 L189 L235 T236 I241 R242 H243 Y281Q185-E239 VanDerWaalsContact NE2-CG 3.27Å; L189-E239 HydrophobicContact CD2-CB 4.21Å; L235-E239 WeakPolarHBondContact O-CG 3.45Å; L235-E239 PolarHBondContact O-N 2.82Å; L235-E239 VanDerWaalsContact O-N 3.13Å; T236-E239 PolarHBondContact O-N 2.67Å; E239-I241 VanDerWaalsContact C-N 3.3Å; E239-I241 PolarHBondContact O-N 3.43Å; E239-R242 PolarHBondContact O-N 3.34Å; E239-R242 WeakPolarHBondContact OE1-CD 3.34Å; E239-R242 IonicContact OE1-CZ 3.49Å; E239-R242 IonicContact OE1-NE 2.66Å; E239-R242 IonicContact OE1-NH1 3.81Å; E239-R242 PolarHBondContact OE1-NH1 2.97Å; E239-R242 IonicContact OE2-NH1 3.93Å; E239-R242 PolarHBondContact OE2-NH1 3.46Å; E239-H243 WeakPolarHBondContact O-CB 3.22Å; E239-H243 PolarHBondContact O-N 2.93Å; E239-H243 PolarHBondContact O-ND1 2.99Å; E239-H243 IonicContact OE2-CE1 3.65Å; E239-H243 PolarHBondContact OE2-CE1 3.1Å; E239-H243 VanDerWaalsContact OE2-CE1 3.24Å; E239-H243 IonicContact OE2-ND1 3.02Å; E239-Y281 PolarHBondContact OE1-OH 3.47Å
240M98.9Very high98.3Very high3 Ų334.6 Ų34.62%0.01517%0.172CC..Hα-helixtrans-58.1-43.8173.3-69.6177.680.700111.7L176 V178 C188 L189 L192 L205 T236 A237 G238 H243 T244 Y250L176-M240 HydrophobicContact CD1-CE 3.94Å; V178-M240 HydrophobicContact CG2-SD 3.92Å; C188-M240 HydrophobicContact CB-CG 4.34Å; C188-M240 HydrophobicContact CB-SD 3.81Å; L189-M240 HydrophobicContact CD2-CG 4.2Å; L192-M240 HydrophobicContact CB-CE 4.09Å; L192-M240 HydrophobicContact CD2-CB 4.07Å; L192-M240 HydrophobicContact CD2-CG 4.5Å; L192-M240 WeakPolarHBondContact CD2-O 3.49Å; L205-M240 HydrophobicContact CD1-CE 3.83Å; L205-M240 HydrophobicContact CD1-SD 3.91Å; L205-M240 HydrophobicContact CD2-SD 4.19Å; T236-M240 HydrophobicContact CG2-SD 4.5Å; T236-M240 WeakPolarHBondContact O-CG 3.45Å; T236-M240 PolarHBondContact O-N 3.32Å; A237-M240 PolarHBondContact O-N 3.36Å; G238-M240 VanDerWaalsContact C-N 3.35Å; G238-M240 PolarHBondContact O-N 3.25Å; M240-H243 CarbonylContact O-C 3.49Å; M240-H243 PolarHBondContact O-N 2.88Å; M240-T244 PolarHBondContact O-N 3.32Å; M240-T244 VanDerWaalsContact O-N 3.1Å; M240-T244 PolarHBondContact O-OG1 2.86Å; M240-Y250 PolarHBondContact O-OH 3.12Å
241I98.8Very high98.3Very high6 Ų633.9 Ų33.93%0.03117%0.168CC..Hα-helixtrans-64.6-45.4179.1-67.7160.6000110.5A237 G238 E239 H243 T244 Y250 I253 L278 L282 Q288 G289A237-I241 WeakPolarHBondContact O-CD1 3.3Å; A237-I241 VanDerWaalsContact O-CG1 3.23Å; A237-I241 WeakPolarHBondContact O-CG1 3.34Å; A237-I241 PolarHBondContact O-N 3.24Å; G238-I241 PolarHBondContact O-N 3.1Å; G238-I241 VanDerWaalsContact O-N 3.13Å; E239-I241 VanDerWaalsContact C-N 3.3Å; E239-I241 PolarHBondContact O-N 3.43Å; I241-H243 PolarHBondContact O-N 3.28Å; I241-T244 WeakPolarHBondContact O-CB 3.46Å; I241-T244 PolarHBondContact O-N 3.37Å; I241-Y250 WeakPolarHBondContact CA-OH 3.47Å; I241-Y250 HydrophobicContact CB-CE2 4.14Å; I241-Y250 HydrophobicContact CG1-CD2 4.33Å; I241-Y250 HydrophobicContact CG1-CE1 4.07Å; I241-Y250 HydrophobicContact CG1-CE2 3.67Å; I241-Y250 HydrophobicContact CG2-CE2 4.17Å; I241-Y250 PolarHBondContact N-OH 2.77Å; I241-I253 HydrophobicContact CD1-CB 4.29Å; I241-I253 HydrophobicContact CD1-CG2 3.79Å; I241-I253 HydrophobicContact CG1-CG2 4.39Å; I241-L278 HydrophobicContact CD1-CD1 4.36Å; I241-L278 HydrophobicContact CD1-CD2 4.31Å; I241-L282 HydrophobicContact CB-CD2 4.04Å; I241-L282 HydrophobicContact CD1-CD1 4.12Å; I241-L282 HydrophobicContact CG2-CD1 3.86Å; I241-L282 HydrophobicContact CG2-CD2 3.73Å; I241-L282 HydrophobicContact CG2-CG 4.46Å; I241-Q288 HydrophobicContact CG2-CB 3.82Å; I241-Q288 HydrophobicContact CG2-CG 4.38Å; I241-Q288 VanDerWaalsContact O-CA 3.31Å; I241-Q288 WeakPolarHBondContact O-CA 3.4Å; I241-Q288 WeakPolarHBondContact O-CG 3.47Å; I241-G289 PolarHBondContact O-N 3.08Å
242R98.6Very high98.2Very high50 Ų5029.1 Ų29.119%0.18914%0.143CC..Hα-helixtrans-60.1-32.5177.9-70.1179.566.3-138.13.9113.3G238 E239 L282 H285 G286 G289 S290 A291G238-R242 WeakPolarHBondContact O-CG 3.25Å; G238-R242 PolarHBondContact O-N 2.98Å; E239-R242 PolarHBondContact O-N 3.34Å; E239-R242 WeakPolarHBondContact OE1-CD 3.34Å; E239-R242 IonicContact OE1-CZ 3.49Å; E239-R242 IonicContact OE1-NE 2.66Å; E239-R242 IonicContact OE1-NH1 3.81Å; E239-R242 PolarHBondContact OE1-NH1 2.97Å; E239-R242 IonicContact OE2-NH1 3.93Å; E239-R242 PolarHBondContact OE2-NH1 3.46Å; R242-L282 HydrophobicContact CG-CD2 3.85Å; R242-H285 PolarHBondContact NE-O 3.06Å; R242-H285 PolarHBondContact NH2-O 2.93Å; R242-G286 VanDerWaalsContact CG-O 3.24Å; R242-G286 WeakPolarHBondContact CG-O 3.36Å; R242-G289 CarbonylContact O-C 3.58Å; R242-G289 VanDerWaalsContact O-C 3.29Å; R242-G289 WeakPolarHBondContact O-CA 3.36Å; R242-G289 PolarHBondContact O-N 2.82Å; R242-G289 VanDerWaalsContact O-N 3.07Å; R242-S290 PolarHBondContact NE-OG 3.17Å; R242-S290 PolarHBondContact O-N 3.25Å; R242-A291 HydrophobicContact CB-CB 3.93Å; R242-A291 PolarHBondContact O-N 3.04Å
243H98.8Very high98.1Very high64 Ų6425.7 Ų25.730%0.29612%0.124SC..THydrogen-bonded Turntrans-914.7177.1-69.484.6000114.1L189 L192 E239 M240 I241 A291 L292L189-H243 HydrophobicContact CD2-CB 4.33Å; L192-H243 HydrophobicContact CD2-CB 3.78Å; E239-H243 WeakPolarHBondContact O-CB 3.22Å; E239-H243 PolarHBondContact O-N 2.93Å; E239-H243 PolarHBondContact O-ND1 2.99Å; E239-H243 IonicContact OE2-CE1 3.65Å; E239-H243 PolarHBondContact OE2-CE1 3.1Å; E239-H243 VanDerWaalsContact OE2-CE1 3.24Å; E239-H243 IonicContact OE2-ND1 3.02Å; M240-H243 CarbonylContact O-C 3.49Å; M240-H243 PolarHBondContact O-N 2.88Å; I241-H243 PolarHBondContact O-N 3.28Å; H243-A291 VanDerWaalsContact CE1-CB 3.48Å; H243-A291 WeakPolarHBondContact CE1-CB 3.48Å; H243-L292 WeakPolarHBondContact O-CD1 3.45Å
244T98.8Very high98Very high0 Ų026 Ų260%013%0.127CC..SBendtrans-92.1128.8176.6-64.10000110.2L192 I203 M240 I241 V248 Y250 Q288 G289L192-T244 VanDerWaalsContact CD1-OG1 3.3Å; L192-T244 WeakPolarHBondContact CD1-OG1 3.38Å; I203-T244 HydrophobicContact CD1-CG2 4.19Å; M240-T244 PolarHBondContact O-N 3.32Å; M240-T244 VanDerWaalsContact O-N 3.1Å; M240-T244 PolarHBondContact O-OG1 2.86Å; I241-T244 WeakPolarHBondContact O-CB 3.46Å; I241-T244 PolarHBondContact O-N 3.37Å; T244-V248 HydrophobicContact CG2-CB 3.64Å; T244-V248 HydrophobicContact CG2-CG1 3.81Å; T244-V248 HydrophobicContact CG2-CG2 4.42Å; T244-Y250 HydrophobicContact CG2-CE2 3.77Å; T244-Y250 PolarHBondContact OG1-OH 3.39Å; T244-Q288 WeakPolarHBondContact O-CG 3.27Å; T244-G289 VanDerWaalsContact O-CA 3.31Å; T244-G289 WeakPolarHBondContact O-CA 3.49Å; T244-G289 PolarHBondContact O-N 3.3Å; T244-G289 VanDerWaalsContact O-N 3.09Å
245P98.3Very high97.7Very high11 Ų1125.9 Ų25.97%0.07113%0.126CC..  trans-56.2144.2175.7-2533.8000112.5V196 E247 V248 Q288 L292V196-P245 HydrophobicContact CG1-CG 3.65Å; P245-E247 VanDerWaalsContact CB-CD 3.49Å; P245-E247 HydrophobicContact CB-CG 4.15Å; P245-E247 WeakPolarHBondContact CB-OE1 3.39Å; P245-E247 PolarHBondContact O-N 2.99Å; P245-E247 VanDerWaalsContact O-N 3.15Å; P245-V248 HydrophobicContact CB-CG2 4.36Å; P245-V248 PolarHBondContact O-N 2.97Å; P245-Q288 PolarHBondContact O-NE2 3.5Å; P245-L292 HydrophobicContact CB-CD1 4.42Å; P245-L292 HydrophobicContact CG-CD1 3.93Å
246P97.1Very high97.3Very high31 Ų3124.4 Ų24.420%0.20112%0.123CC..THydrogen-bonded Turntrans-63.3-23.4-173.424.5-33.7000114.2V248 R294 W296P246-V248 VanDerWaalsContact C-N 3.35Å; P246-R294 HydrophobicContact CG-CB 4.43Å; P246-W296 HydrophobicContact CB-CB 4.09Å
247E96.1Very high96.9Very high108 Ų10824.1 Ų24.151%0.50512%0.121SC..THydrogen-bonded Turntrans-71.7-22.2174.655.5-88.2-157.200114.2P245 R294P245-E247 VanDerWaalsContact CB-CD 3.49Å; P245-E247 HydrophobicContact CB-CG 4.15Å; P245-E247 WeakPolarHBondContact CB-OE1 3.39Å; P245-E247 PolarHBondContact O-N 2.99Å; P245-E247 VanDerWaalsContact O-N 3.15Å; E247-R294 IonicContact OE1-CZ 2.81Å; E247-R294 IonicContact OE1-NH1 2.82Å; E247-R294 PolarHBondContact OE1-NH1 2.92Å; E247-R294 IonicContact OE1-NH2 3.26Å; E247-R294 PolarHBondContact OE1-NH2 2.94Å; E247-R294 VanDerWaalsContact OE1-NH2 3.15Å; E247-R294 IonicContact OE2-CZ 3.56Å; E247-R294 IonicContact OE2-NH1 3.73Å; E247-R294 IonicContact OE2-NH2 3.83Å; E247-R294 PolarHBondContact OE2-NH2 2.96Å
248V98.3Very high96.4Very high8 Ų833.4 Ų33.45%0.04816%0.156CC..SBendtrans-81.9120.6178.8177.50000109.7V200 I203 T244 P245 P246 Q288V200-V248 HydrophobicContact CG1-CG1 3.87Å; V200-V248 HydrophobicContact CG1-CG2 4.4Å; I203-V248 HydrophobicContact CD1-CG1 3.9Å; I203-V248 HydrophobicContact CG1-CG1 3.82Å; T244-V248 HydrophobicContact CG2-CB 3.64Å; T244-V248 HydrophobicContact CG2-CG1 3.81Å; T244-V248 HydrophobicContact CG2-CG2 4.42Å; P245-V248 HydrophobicContact CB-CG2 4.36Å; P245-V248 PolarHBondContact O-N 2.97Å; P246-V248 VanDerWaalsContact C-N 3.35Å; V248-Q288 PolarHBondContact O-NE2 3.48Å
249I97.7Very high96Very high34 Ų3440.2 Ų40.217%0.17418%0.182CC..EExtended strand (participates in β ladder)trans-92119.2-170.9-56.8165.1000111.5F2 D5 W133 D201 G202 I203 H251F2-I249 HydrophobicContact CB-CG2 3.85Å; F2-I249 HydrophobicContact CD2-CG2 3.94Å; F2-I249 HydrophobicContact CG-CG2 4.42Å; D5-I249 HydrophobicContact CB-CD1 4.26Å; D5-I249 HydrophobicContact CB-CG2 4.33Å; W133-I249 HydrophobicContact CH2-CD1 4.44Å; W133-I249 HydrophobicContact CZ2-CD1 4.46Å; D201-I249 PolarHBondContact O-N 2.93Å; G202-I249 CarbonylContact C-O 3.53Å; G202-I249 WeakPolarHBondContact CA-O 3.42Å; I203-I249 PolarHBondContact N-O 3.13Å; I249-H251 PolarHBondContact O-CD2 3.23Å; I249-H251 PolarHBondContact O-N 3.15Å
250Y98.3Very high95.7Very high2 Ų243.9 Ų43.91%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-69113.9167.5-81.9-82.2000112.1M1 F2 I203 L205 M240 I241 T244 I253M1-Y250 WeakPolarHBondContact CA-O 3.41Å; F2-Y250 PolarHBondContact N-O 3Å; I203-Y250 HydrophobicContact CB-CD1 3.92Å; I203-Y250 HydrophobicContact CB-CE1 3.8Å; I203-Y250 HydrophobicContact CG2-CD1 3.93Å; I203-Y250 HydrophobicContact CG2-CE1 3.52Å; I203-Y250 CarbonylContact O-C 3.44Å; I203-Y250 WeakPolarHBondContact O-CA 3.24Å; L205-Y250 HydrophobicContact CB-CD1 4.38Å; L205-Y250 HydrophobicContact CB-CE1 4.03Å; L205-Y250 HydrophobicContact CD2-CE1 4.16Å; M240-Y250 PolarHBondContact O-OH 3.12Å; I241-Y250 WeakPolarHBondContact CA-OH 3.47Å; I241-Y250 HydrophobicContact CB-CE2 4.14Å; I241-Y250 HydrophobicContact CG1-CD2 4.33Å; I241-Y250 HydrophobicContact CG1-CE1 4.07Å; I241-Y250 HydrophobicContact CG1-CE2 3.67Å; I241-Y250 HydrophobicContact CG2-CE2 4.17Å; I241-Y250 PolarHBondContact N-OH 2.77Å; T244-Y250 HydrophobicContact CG2-CE2 3.77Å; T244-Y250 PolarHBondContact OG1-OH 3.39Å; Y250-I253 HydrophobicContact CD1-CG2 3.62Å; Y250-I253 HydrophobicContact CE1-CG2 4.26Å; Y250-I253 HydrophobicContact CG-CG2 3.81Å
251H97.8Very high95.4Very high26 Ų2645.8 Ų45.812%0.1222%0.22CC..EExtended strand (participates in β ladder)trans-72.8-36.9172.2-78.5-161000111.9F2 K16 W133 C173 I203 K204 I249F2-H251 HydrophobicContact CB-CB 4.49Å; F2-H251 AromaticContact CD2-CD2 3.46Å; F2-H251 VanDerWaalsContact CD2-CD2 3.46Å; F2-H251 WeakPolarHBondContact CD2-CD2 3.23Å; F2-H251 AromaticContact CD2-NE2 3.31Å; F2-H251 VanDerWaalsContact CD2-NE2 3.31Å; F2-H251 WeakPolarHBondContact CD2-NE2 3.38Å; F2-H251 AromaticContact CE2-NE2 3.44Å; F2-H251 WeakPolarHBondContact CE2-NE2 3.27Å; F2-H251 AromaticContact CG-CD2 3.54Å; F2-H251 AromaticContact CG-NE2 3.81Å; K16-H251 PolarHBondContact NZ-CE1 3.33Å; K16-H251 PolarHBondContact NZ-ND1 2.88Å; W133-H251 AromaticContact CD2-CE1 3.54Å; W133-H251 AromaticContact CD2-NE2 3.77Å; W133-H251 AromaticContact CE2-CE1 3.95Å; W133-H251 AromaticContact CE2-NE2 3.76Å; W133-H251 AromaticContact CE3-CE1 3.46Å; W133-H251 VanDerWaalsContact CE3-CE1 3.46Å; W133-H251 AromaticContact CE3-NE2 3.65Å; W133-H251 AromaticContact CH2-NE2 3.5Å; W133-H251 WeakPolarHBondContact CH2-NE2 3.44Å; W133-H251 AromaticContact CZ2-NE2 3.64Å; W133-H251 AromaticContact CZ3-CE1 3.78Å; W133-H251 AromaticContact CZ3-NE2 3.5Å; C173-H251 PolarHBondContact SG-ND1 3.44Å; I203-H251 PolarHBondContact O-N 2.97Å; K204-H251 HydrophobicContact CB-CB 4.23Å; I249-H251 PolarHBondContact O-CD2 3.23Å; I249-H251 PolarHBondContact O-N 3.15Å
252R95.8Very high95.2Very high57 Ų5745.6 Ų45.622%0.21522%0.219CC..EExtended strand (participates in β ladder)trans-158.7156.5168.685.9-168.5-174.41750109.1K204 L205 H206 S254K204-R252 VanDerWaalsContact CE-CZ 3.44Å; K204-R252 HydrophobicContact CG-CB 4.41Å; K204-R252 VanDerWaalsContact CG-CD 3.43Å; K204-R252 HydrophobicContact CG-CG 3.49Å; K204-R252 VanDerWaalsContact CG-CG 3.49Å; L205-R252 PolarHBondContact N-O 3.01Å; L205-R252 VanDerWaalsContact O-CG 3.27Å; L205-R252 WeakPolarHBondContact O-CG 3.41Å; H206-R252 PolarHBondContact CD2-NH2 3.43Å; H206-R252 PolarHBondContact NE2-NH2 2.88Å; R252-S254 WeakPolarHBondContact CD-O 3.49Å; R252-S254 WeakPolarHBondContact CG-O 3.23Å
253I97.1Very high95.2Very high17 Ų1744.8 Ų44.89%0.08722%0.218CC..SBendtrans-123.89.3176.157.7165.3000111.9M1 L205 Y233 I241 Y250 M275 L278M1-I253 HydrophobicContact CE-CG1 4.01Å; M1-I253 HydrophobicContact CE-CG2 4.18Å; M1-I253 HydrophobicContact SD-CG1 4.42Å; M1-I253 HydrophobicContact SD-CG2 3.98Å; L205-I253 CarbonylContact O-C 3.59Å; Y233-I253 PolarHBondContact OH-O 3.12Å; I241-I253 HydrophobicContact CD1-CB 4.29Å; I241-I253 HydrophobicContact CD1-CG2 3.79Å; I241-I253 HydrophobicContact CG1-CG2 4.39Å; Y250-I253 HydrophobicContact CD1-CG2 3.62Å; Y250-I253 HydrophobicContact CE1-CG2 4.26Å; Y250-I253 HydrophobicContact CG-CG2 3.81Å; I253-M275 HydrophobicContact CD1-CG 4.43Å; I253-M275 HydrophobicContact CG1-CG 4.2Å; I253-L278 HydrophobicContact CB-CD1 3.99Å; I253-L278 HydrophobicContact CD1-CB 4.19Å; I253-L278 HydrophobicContact CD1-CD1 3.95Å; I253-L278 HydrophobicContact CG1-CD1 4.23Å; I253-L278 VanDerWaalsContact O-CD1 3.27Å; I253-L278 WeakPolarHBondContact O-CD1 3.13Å
254S95.3Very high95.1Very high7 Ų742 Ų425%0.04921%0.207CC..  trans-163.9162.2175.8-175.90000108.5L205 R252 R271L205-S254 PolarHBondContact O-N 3.09Å; R252-S254 WeakPolarHBondContact CD-O 3.49Å; R252-S254 WeakPolarHBondContact CG-O 3.23Å; S254-R271 PolarHBondContact OG-O 3.05Å
255A92.4Very high95Very high8 Ų842.4 Ų42.47%0.06621%0.209CC..  trans-134.3167.6173.900000109.9H206H206-A255 HydrophobicContact CB-CB 3.62Å
256S90.8Very high94.9Very high47 Ų4745.9 Ų45.933%0.32923%0.226SC..  trans-131.8145169.753.60000111.4C268S256-C268 WeakPolarHBondContact CA-O 3.43Å; S256-C268 WeakPolarHBondContact CB-O 3.32Å
257A90.7Very high94.8Very high4 Ų446.1 Ų46.13%0.03322%0.224CC..  trans-131.2148.7162.400000107.4L262 C268 E269A257-L262 HydrophobicContact CB-CB 3.95Å; A257-L262 HydrophobicContact CB-CD1 4.25Å; A257-L262 HydrophobicContact CB-CG 4.48Å; A257-L262 WeakPolarHBondContact O-CD2 3.46Å; A257-C268 PolarHBondContact N-O 2.91Å; A257-E269 WeakPolarHBondContact O-CA 3.26Å
258R87.6Confident94.8Very high195 Ų19541 Ų4174%0.73620%0.2SC*.  trans-102152.4-175.7-64-174.2-179.9-169.60.3111.5T261 L262R258-T261 PolarHBondContact O-N 3.36Å; R258-L262 PolarHBondContact O-N 3.11Å
259R90.4Very high94.6Very high142 Ų14244.8 Ų44.854%0.53622%0.217SC..THydrogen-bonded Turntrans-63.7150.1164.5-72177.5155.9-150.7-2.6110.4T261 E269R259-T261 VanDerWaalsContact C-N 3.32Å; R259-E269 WeakPolarHBondContact CB-OE1 3.49Å; R259-E269 WeakPolarHBondContact CG-OE1 3.44Å; R259-E269 PolarHBondContact N-OE1 2.92Å; R259-E269 VanDerWaalsContact N-OE1 3.13Å
260P92.2Very high94.3Very high102 Ų10246.9 Ų46.966%0.66223%0.228SC*.THydrogen-bonded Turncis-844.11.835.7-36.6000114.1
261T93.1Very high93.7Very high42 Ų4252 Ų5226%0.25825%0.248SC..THydrogen-bonded Turntrans-76.3-37.8-177.7-50.20000112.4S44 V211 K212 R258 R259S44-T261 VanDerWaalsContact CB-CG2 3.42Å; V211-T261 CarbonylContact C-O 3.48Å; V211-T261 VanDerWaalsContact CA-O 3.23Å; V211-T261 WeakPolarHBondContact CA-O 3.12Å; V211-T261 HydrophobicContact CB-CG2 4.37Å; K212-T261 PolarHBondContact N-O 3.5Å; R258-T261 PolarHBondContact O-N 3.36Å; R259-T261 VanDerWaalsContact C-N 3.32Å
262L95.2Very high93.5Very high2 Ų257.2 Ų57.21%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-75.4123.8171.8178.263.6000110.6H209 A257 R258 A264 C268 E269H209-L262 HydrophobicContact CB-CD1 4.17Å; A257-L262 HydrophobicContact CB-CB 3.95Å; A257-L262 HydrophobicContact CB-CD1 4.25Å; A257-L262 HydrophobicContact CB-CG 4.48Å; A257-L262 WeakPolarHBondContact O-CD2 3.46Å; R258-L262 PolarHBondContact O-N 3.11Å; L262-A264 WeakPolarHBondContact CD1-O 3.41Å; L262-C268 HydrophobicContact CD2-CB 3.91Å; L262-E269 HydrophobicContact CD2-CB 4.19Å
263L96.9Very high93.4Very high33 Ų3356.7 Ų56.717%0.17327%0.269CS..EExtended strand (participates in β ladder)trans-101.1-45.4173.9-56.9179.8000111.4I210 K212 A217 W220 L266I210-L263 HydrophobicContact CG2-CB 4.33Å; I210-L263 WeakPolarHBondContact O-CA 3.3Å; I210-L263 WeakPolarHBondContact O-CB 3.26Å; I210-L263 PolarHBondContact O-N 2.93Å; K212-L263 HydrophobicContact CB-CD1 4.45Å; K212-L263 HydrophobicContact CB-CD2 4.4Å; K212-L263 HydrophobicContact CB-CG 4.4Å; A217-L263 HydrophobicContact CB-CD1 3.51Å; W220-L263 HydrophobicContact CE3-CB 4.18Å; W220-L263 HydrophobicContact CE3-CD1 4.29Å; W220-L263 HydrophobicContact CZ3-CB 4.16Å; L263-L266 VanDerWaalsContact O-CD2 3.27Å; L263-L266 WeakPolarHBondContact O-CD2 3.4Å
264A96.9Very high93.3Very high7 Ų755.9 Ų55.96%0.05827%0.265CS..EExtended strand (participates in β ladder)trans-156158.1176.100000112.4I210 W220 L262I210-A264 HydrophobicContact CB-CB 4.19Å; I210-A264 HydrophobicContact CD1-CB 4.17Å; I210-A264 HydrophobicContact CG1-CB 4.47Å; I210-A264 PolarHBondContact N-O 2.71Å; I210-A264 PolarHBondContact O-N 2.97Å; W220-A264 HydrophobicContact CZ2-CB 4.31Å; L262-A264 WeakPolarHBondContact CD1-O 3.41Å
265P97Very high93.4Very high8 Ų858.1 Ų58.15%0.05228%0.276CS..  cis-77.3146.5-15.535.5-35.7000110.5L208 I228 W267 C268L208-P265 VanDerWaalsContact O-CD 3.23Å; L208-P265 WeakPolarHBondContact O-CD 3.48Å; I228-P265 HydrophobicContact CG2-CG 4.15Å; I228-P265 VanDerWaalsContact O-CB 3.22Å; I228-P265 WeakPolarHBondContact O-CB 3.42Å; I228-P265 WeakPolarHBondContact O-CG 3.31Å; P265-W267 VanDerWaalsContact C-N 3.28Å; P265-W267 HydrophobicContact CB-CG 4.39Å; P265-W267 VanDerWaalsContact CB-NE1 3.27Å; P265-W267 HydrophobicContact CG-CD2 4.27Å; P265-W267 HydrophobicContact CG-CZ2 3.87Å; P265-W267 VanDerWaalsContact CG-NE1 3.34Å; P265-W267 PolarHBondContact O-N 3.17Å; P265-C268 VanDerWaalsContact CG-SG 3.6Å; P265-C268 VanDerWaalsContact O-CB 3.31Å; P265-C268 WeakPolarHBondContact O-CB 3.49Å; P265-C268 PolarHBondContact O-N 3.32Å; P265-C268 VanDerWaalsContact O-N 3.12Å
266L95.6Very high93.6Very high83 Ų8361.3 Ų61.344%0.43529%0.294SS..G310 helixtrans-69.3-25.3-169.2-62.7179.7000114L263 C268 E269L263-L266 VanDerWaalsContact O-CD2 3.27Å; L263-L266 WeakPolarHBondContact O-CD2 3.4Å; L266-C268 PolarHBondContact O-N 2.92Å; L266-C268 VanDerWaalsContact O-N 3.15Å; L266-E269 WeakPolarHBondContact O-CB 3.4Å; L266-E269 PolarHBondContact O-N 3.13Å
267W96Very high94Very high37 Ų3761.4 Ų61.414%0.1429%0.289CS..G310 helixtrans-62.1-20.317563.1-105000112.4P207 I228 L230 Y233 P265 E269 N270 T273P207-W267 HydrophobicContact CB-CH2 3.56Å; P207-W267 HydrophobicContact CB-CZ2 3.84Å; P207-W267 HydrophobicContact CG-CH2 3.43Å; P207-W267 VanDerWaalsContact CG-CH2 3.43Å; P207-W267 HydrophobicContact CG-CZ2 4.14Å; P207-W267 HydrophobicContact CG-CZ3 3.99Å; I228-W267 HydrophobicContact CG2-CZ2 4.23Å; I228-W267 PolarHBondContact O-NE1 2.85Å; L230-W267 HydrophobicContact CB-CD2 4.2Å; L230-W267 HydrophobicContact CB-CG 4.09Å; L230-W267 HydrophobicContact CD1-CD2 3.9Å; L230-W267 HydrophobicContact CD1-CE3 3.81Å; L230-W267 HydrophobicContact CD1-CG 4.44Å; L230-W267 HydrophobicContact CD1-CH2 4.28Å; L230-W267 HydrophobicContact CD1-CZ2 4.39Å; L230-W267 HydrophobicContact CD1-CZ3 4.01Å; Y233-W267 AromaticContact CD1-CH2 3.48Å; Y233-W267 HydrophobicContact CD1-CH2 3.48Å; Y233-W267 VanDerWaalsContact CD1-CH2 3.48Å; Y233-W267 HydrophobicContact CD1-CZ2 4.25Å; Y233-W267 HydrophobicContact CD1-CZ3 4.23Å; Y233-W267 HydrophobicContact CD2-CH2 4.34Å; Y233-W267 HydrophobicContact CE1-CH2 4.1Å; Y233-W267 AromaticContact CG-CH2 3.61Å; Y233-W267 HydrophobicContact CG-CH2 3.61Å; Y233-W267 AromaticContact CG-CZ2 4Å; Y233-W267 HydrophobicContact CG-CZ2 4Å; P265-W267 VanDerWaalsContact C-N 3.28Å; P265-W267 HydrophobicContact CB-CG 4.39Å; P265-W267 VanDerWaalsContact CB-NE1 3.27Å; P265-W267 HydrophobicContact CG-CD2 4.27Å; P265-W267 HydrophobicContact CG-CZ2 3.87Å; P265-W267 VanDerWaalsContact CG-NE1 3.34Å; P265-W267 PolarHBondContact O-N 3.17Å; W267-E269 PolarHBondContact O-N 3.31Å; W267-N270 PolarHBondContact O-N 3.33Å; W267-T273 HydrophobicContact CB-CG2 4.32Å
268C95.6Very high94.3Very high0 Ų061.2 Ų61.20%029%0.288CS..G310 helixtrans-71.9-4.9173.1-70.20000113.9P207 H209 S256 A257 L262 P265 L266 N270P207-C268 WeakPolarHBondContact CG-SG 3.14Å; H209-C268 WeakPolarHBondContact NE2-CB 3.31Å; S256-C268 WeakPolarHBondContact CA-O 3.43Å; S256-C268 WeakPolarHBondContact CB-O 3.32Å; A257-C268 PolarHBondContact N-O 2.91Å; L262-C268 HydrophobicContact CD2-CB 3.91Å; P265-C268 VanDerWaalsContact CG-SG 3.6Å; P265-C268 VanDerWaalsContact O-CB 3.31Å; P265-C268 WeakPolarHBondContact O-CB 3.49Å; P265-C268 PolarHBondContact O-N 3.32Å; P265-C268 VanDerWaalsContact O-N 3.12Å; L266-C268 PolarHBondContact O-N 2.92Å; L266-C268 VanDerWaalsContact O-N 3.15Å; C268-N270 PolarHBondContact O-N 2.99Å
269E93.5Very high94.8Very high87 Ų8756.6 Ų56.641%0.40728%0.278SS..G310 helixtrans-61.6-35.7172.6-175.2158.6-125.200111.4A257 R259 L262 L266 W267A257-E269 WeakPolarHBondContact O-CA 3.26Å; R259-E269 WeakPolarHBondContact CB-OE1 3.49Å; R259-E269 WeakPolarHBondContact CG-OE1 3.44Å; R259-E269 PolarHBondContact N-OE1 2.92Å; R259-E269 VanDerWaalsContact N-OE1 3.13Å; L262-E269 HydrophobicContact CD2-CB 4.19Å; L266-E269 WeakPolarHBondContact O-CB 3.4Å; L266-E269 PolarHBondContact O-N 3.13Å; W267-E269 PolarHBondContact O-N 3.31Å
270N92.2Very high95.1Very high78 Ų7856.1 Ų56.142%0.41728%0.276SS..SBendtrans-110.7106.7173-1752.8000110.9W267 C268 W272 T273W267-N270 PolarHBondContact O-N 3.33Å; C268-N270 PolarHBondContact O-N 2.99Å; N270-W272 PolarHBondContact O-N 3.06Å; N270-W272 WeakPolarHBondContact OD1-CB 3.42Å; N270-W272 PolarHBondContact OD1-N 3.08Å; N270-T273 WeakPolarHBondContact O-CB 3.25Å; N270-T273 PolarHBondContact O-N 3.44Å; N270-T273 VanDerWaalsContact O-N 3.08Å
271R86.1Confident95.4Very high111 Ų11152.9 Ų52.942%0.41925%0.251SS..Hα-helixtrans-54.4-27.8177.465.1174.9-175.7-1080.1113.6S254 T273 M275S254-R271 PolarHBondContact OG-O 3.05Å; R271-T273 VanDerWaalsContact C-N 3.28Å; R271-T273 PolarHBondContact O-N 3.29Å; R271-M275 WeakPolarHBondContact O-CG 3.36Å; R271-M275 PolarHBondContact O-N 3.49Å
272W92.2Very high95.7Very high135 Ų13552.1 Ų52.151%0.51125%0.245SC..Hα-helixtrans-66.7-31.3-177.3-66.5113.1000112.3N270 G274 M275 V276N270-W272 PolarHBondContact O-N 3.06Å; N270-W272 WeakPolarHBondContact OD1-CB 3.42Å; N270-W272 PolarHBondContact OD1-N 3.08Å; W272-G274 PolarHBondContact O-N 3.45Å; W272-M275 HydrophobicContact CE3-CE 4.35Å; W272-M275 HydrophobicContact CE3-SD 4.15Å; W272-M275 HydrophobicContact CZ3-CE 4.06Å; W272-M275 HydrophobicContact CZ3-SD 4.33Å; W272-M275 PolarHBondContact O-N 2.74Å; W272-M275 VanDerWaalsContact O-N 3.13Å; W272-V276 WeakPolarHBondContact O-CB 3.41Å; W272-V276 VanDerWaalsContact O-CG2 3.32Å; W272-V276 WeakPolarHBondContact O-CG2 3.32Å; W272-V276 PolarHBondContact O-N 3.36Å
273T94.7Very high95.8Very high45 Ų4557.6 Ų57.628%0.27627%0.274SS..Hα-helixtrans-56.9-55.1-179.7-590000110.6L230 W267 N270 R271 M275 V276 E277L230-T273 HydrophobicContact CD1-CG2 4.28Å; L230-T273 HydrophobicContact CD2-CG2 3.63Å; W267-T273 HydrophobicContact CB-CG2 4.32Å; N270-T273 WeakPolarHBondContact O-CB 3.25Å; N270-T273 PolarHBondContact O-N 3.44Å; N270-T273 VanDerWaalsContact O-N 3.08Å; R271-T273 VanDerWaalsContact C-N 3.28Å; R271-T273 PolarHBondContact O-N 3.29Å; T273-M275 VanDerWaalsContact C-N 3.29Å; T273-M275 PolarHBondContact O-N 3.19Å; T273-V276 PolarHBondContact O-N 3.38Å; T273-E277 WeakPolarHBondContact O-CG 3.5Å; T273-E277 PolarHBondContact O-N 3.02Å
274G95.3Very high95.9Very high0 Ų062.9 Ų62.90%030%0.298CS..Hα-helixtrans-63.6-31.6176.600000113.9W272 L278W272-G274 PolarHBondContact O-N 3.45Å; G274-L278 WeakPolarHBondContact O-CB 3.14Å; G274-L278 VanDerWaalsContact O-CG 3.3Å; G274-L278 WeakPolarHBondContact O-CG 3.36Å; G274-L278 PolarHBondContact O-N 3.16Å; G274-L278 VanDerWaalsContact O-N 3.11Å
275M96.2Very high95.9Very high55 Ų5566.1 Ų66.127%0.27131%0.312SS..Hα-helixtrans-70.7-39.7177.7-69.4-179.761.800112.8I253 R271 W272 T273 D279I253-M275 HydrophobicContact CD1-CG 4.43Å; I253-M275 HydrophobicContact CG1-CG 4.2Å; R271-M275 WeakPolarHBondContact O-CG 3.36Å; R271-M275 PolarHBondContact O-N 3.49Å; W272-M275 HydrophobicContact CE3-CE 4.35Å; W272-M275 HydrophobicContact CE3-SD 4.15Å; W272-M275 HydrophobicContact CZ3-CE 4.06Å; W272-M275 HydrophobicContact CZ3-SD 4.33Å; W272-M275 PolarHBondContact O-N 2.74Å; W272-M275 VanDerWaalsContact O-N 3.13Å; T273-M275 VanDerWaalsContact C-N 3.29Å; T273-M275 PolarHBondContact O-N 3.19Å; M275-D279 WeakPolarHBondContact O-CB 3.23Å; M275-D279 PolarHBondContact O-N 3.21Å
276V97.5Very high96Very high74 Ų7466.8 Ų66.845%0.44832%0.32SS..Hα-helixtrans-68.3-42.1179.7167.70000110.8W272 T273 D279 R280W272-V276 WeakPolarHBondContact O-CB 3.41Å; W272-V276 VanDerWaalsContact O-CG2 3.32Å; W272-V276 WeakPolarHBondContact O-CG2 3.32Å; W272-V276 PolarHBondContact O-N 3.36Å; T273-V276 PolarHBondContact O-N 3.38Å; V276-D279 PolarHBondContact O-N 2.79Å; V276-R280 PolarHBondContact O-N 3.12Å
277E98Very high96.1Very high50 Ų5065.5 Ų65.523%0.23432%0.316CS..Hα-helixtrans-67.3-39.5177.4-63.6-54.4123.700111.7L230 T234 T273 R280 Y281L230-E277 HydrophobicContact CD1-CB 4.4Å; L230-E277 HydrophobicContact CD1-CG 4.16Å; L230-E277 HydrophobicContact CD2-CG 3.93Å; L230-E277 HydrophobicContact CG-CG 4.15Å; T234-E277 HydrophobicContact CG2-CB 3.94Å; T234-E277 WeakPolarHBondContact CG2-O 3.21Å; T234-E277 WeakPolarHBondContact OG1-CB 3.4Å; T273-E277 WeakPolarHBondContact O-CG 3.5Å; T273-E277 PolarHBondContact O-N 3.02Å; E277-R280 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-CZ 3.55Å; E277-R280 VanDerWaalsContact OE1-CZ 3.27Å; E277-R280 IonicContact OE1-NH1 2.96Å; E277-R280 PolarHBondContact OE1-NH1 3.15Å; E277-R280 IonicContact OE1-NH2 3.15Å; E277-R280 PolarHBondContact OE1-NH2 3.29Å; E277-R280 IonicContact OE2-CZ 3.27Å; E277-R280 IonicContact OE2-NH1 3.01Å; E277-R280 PolarHBondContact OE2-NH1 3.46Å; E277-R280 IonicContact OE2-NH2 2.77Å; E277-Y281 WeakPolarHBondContact O-CB 3.22Å; E277-Y281 PolarHBondContact O-N 3.37Å
278L97.9Very high96.2Very high0 Ų065 Ų650%031%0.314CS..Hα-helixtrans-64.3-39.1172.4-78.7172.9000113Y233 T234 A237 G238 I241 I253 G274 Y281 L282Y233-L278 HydrophobicContact CE1-CD1 3.8Å; Y233-L278 HydrophobicContact CE1-CG 4.45Å; T234-L278 HydrophobicContact CG2-CD2 4.31Å; T234-L278 WeakPolarHBondContact O-CD2 2.99Å; A237-L278 HydrophobicContact CB-CD1 4.19Å; A237-L278 HydrophobicContact CB-CD2 3.85Å; G238-L278 VanDerWaalsContact N-CD2 3.35Å; I241-L278 HydrophobicContact CD1-CD1 4.36Å; I241-L278 HydrophobicContact CD1-CD2 4.31Å; I253-L278 HydrophobicContact CB-CD1 3.99Å; I253-L278 HydrophobicContact CD1-CB 4.19Å; I253-L278 HydrophobicContact CD1-CD1 3.95Å; I253-L278 HydrophobicContact CG1-CD1 4.23Å; I253-L278 VanDerWaalsContact O-CD1 3.27Å; I253-L278 WeakPolarHBondContact O-CD1 3.13Å; G274-L278 WeakPolarHBondContact O-CB 3.14Å; G274-L278 VanDerWaalsContact O-CG 3.3Å; G274-L278 WeakPolarHBondContact O-CG 3.36Å; G274-L278 PolarHBondContact O-N 3.16Å; G274-L278 VanDerWaalsContact O-N 3.11Å; L278-Y281 PolarHBondContact O-N 2.66Å; L278-L282 WeakPolarHBondContact O-CB 3.49Å; L278-L282 WeakPolarHBondContact O-CG 3.34Å; L278-L282 PolarHBondContact O-N 3.27Å
279D97.4Very high96.3Very high98 Ų9865 Ų6552%0.52431%0.314SS..Hα-helixtrans-61-45.7174.9-174.579.4000111M275 V276 Y281 L282 N283M275-D279 WeakPolarHBondContact O-CB 3.23Å; M275-D279 PolarHBondContact O-N 3.21Å; V276-D279 PolarHBondContact O-N 2.79Å; D279-Y281 PolarHBondContact O-N 2.76Å; D279-L282 PolarHBondContact O-N 3Å; D279-N283 WeakPolarHBondContact O-CB 3.39Å; D279-N283 VanDerWaalsContact O-CG 3.29Å; D279-N283 PolarHBondContact O-N 3.21Å; D279-N283 PolarHBondContact O-ND2 2.87Å; D279-N283 PolarHBondContact OD2-ND2 3.36Å
280R98.4Very high96.5Very high132 Ų13262.3 Ų62.350%0.49831%0.305SS..Hα-helixtrans-58.8-48174.9-168.6-177.8-55.1128.918.7111.6V276 E277 L282 N283 E284V276-R280 PolarHBondContact O-N 3.12Å; E277-R280 PolarHBondContact O-N 2.88Å; E277-R280 IonicContact OE1-CZ 3.55Å; E277-R280 VanDerWaalsContact OE1-CZ 3.27Å; E277-R280 IonicContact OE1-NH1 2.96Å; E277-R280 PolarHBondContact OE1-NH1 3.15Å; E277-R280 IonicContact OE1-NH2 3.15Å; E277-R280 PolarHBondContact OE1-NH2 3.29Å; E277-R280 IonicContact OE2-CZ 3.27Å; E277-R280 IonicContact OE2-NH1 3.01Å; E277-R280 PolarHBondContact OE2-NH1 3.46Å; E277-R280 IonicContact OE2-NH2 2.77Å; R280-L282 PolarHBondContact O-N 3.03Å; R280-N283 PolarHBondContact O-N 3.34Å; R280-E284 PolarHBondContact O-N 3.35Å; R280-E284 VanDerWaalsContact O-N 3.1Å
281Y98.6Very high96.8Very high34 Ų3460.4 Ų60.413%0.13330%0.301CS..Hα-helixtrans-57.7-46.8178.6-173.1-85.5000112.2T234 E239 E277 L278 D279 E284 H285T234-Y281 HydrophobicContact CG2-CD2 4.14Å; T234-Y281 HydrophobicContact CG2-CG 4.2Å; E239-Y281 PolarHBondContact OE1-OH 3.47Å; E277-Y281 WeakPolarHBondContact O-CB 3.22Å; E277-Y281 PolarHBondContact O-N 3.37Å; L278-Y281 PolarHBondContact O-N 2.66Å; D279-Y281 PolarHBondContact O-N 2.76Å; Y281-E284 PolarHBondContact O-N 2.97Å; Y281-H285 HydrophobicContact CD1-CB 4.47Å; Y281-H285 AromaticContact CD1-CD2 3.9Å; Y281-H285 AromaticContact CD2-CD2 3.49Å; Y281-H285 VanDerWaalsContact CD2-CD2 3.49Å; Y281-H285 WeakPolarHBondContact CD2-CD2 3.31Å; Y281-H285 AromaticContact CD2-NE2 3.92Å; Y281-H285 HydrophobicContact CE1-CB 4.1Å; Y281-H285 AromaticContact CE1-CD2 3.77Å; Y281-H285 AromaticContact CE2-CD2 3.34Å; Y281-H285 WeakPolarHBondContact CE2-CD2 3.32Å; Y281-H285 AromaticContact CE2-NE2 3.68Å; Y281-H285 AromaticContact CG-CD2 3.76Å; Y281-H285 AromaticContact CZ-CD2 3.48Å; Y281-H285 VanDerWaalsContact CZ-CD2 3.48Å; Y281-H285 WeakPolarHBondContact O-CB 3.45Å; Y281-H285 PolarHBondContact O-CD2 3.08Å; Y281-H285 VanDerWaalsContact O-CD2 3.25Å; Y281-H285 PolarHBondContact O-N 3.49Å
282L98.2Very high97.4Very high25 Ų2558.8 Ų58.813%0.13130%0.3CS..Hα-helixtrans-70.1-32.3-179-67.1170.8000112.6I241 R242 L278 D279 R280 E284 G286I241-L282 HydrophobicContact CB-CD2 4.04Å; I241-L282 HydrophobicContact CD1-CD1 4.12Å; I241-L282 HydrophobicContact CG2-CD1 3.86Å; I241-L282 HydrophobicContact CG2-CD2 3.73Å; I241-L282 HydrophobicContact CG2-CG 4.46Å; R242-L282 HydrophobicContact CG-CD2 3.85Å; L278-L282 WeakPolarHBondContact O-CB 3.49Å; L278-L282 WeakPolarHBondContact O-CG 3.34Å; L278-L282 PolarHBondContact O-N 3.27Å; D279-L282 PolarHBondContact O-N 3Å; R280-L282 PolarHBondContact O-N 3.03Å; L282-E284 VanDerWaalsContact C-N 3.29Å; L282-G286 WeakPolarHBondContact CD2-O 3.5Å; L282-G286 CarbonylContact O-C 3.43Å; L282-G286 VanDerWaalsContact O-CA 3.23Å; L282-G286 WeakPolarHBondContact O-CA 3.48Å; L282-G286 PolarHBondContact O-N 3Å
283N97.6Very high97.7Very high117 Ų11755.4 Ų55.463%0.62631%0.307SS*.Hα-helixtrans-66.9-32.5173.2-74.6-41000112.1D279 R280D279-N283 WeakPolarHBondContact O-CB 3.39Å; D279-N283 VanDerWaalsContact O-CG 3.29Å; D279-N283 PolarHBondContact O-N 3.21Å; D279-N283 PolarHBondContact O-ND2 2.87Å; D279-N283 PolarHBondContact OD2-ND2 3.36Å; R280-N283 PolarHBondContact O-N 3.34Å
284E98.2Very high97.8Very high144 Ų14459.2 Ų59.267%0.67332%0.317SS*.Hα-helixtrans-83-43.3179.6-173.8173.2171.600113R280 Y281 L282R280-E284 PolarHBondContact O-N 3.35Å; R280-E284 VanDerWaalsContact O-N 3.1Å; Y281-E284 PolarHBondContact O-N 2.97Å; L282-E284 VanDerWaalsContact C-N 3.29Å
285H98.3Very high97.9Very high76 Ų7662.1 Ų62.135%0.35234%0.336SS..Hα-helixtrans-104-10.2-170.6-58.8-63.6000114.1R242 Y281R242-H285 PolarHBondContact NE-O 3.06Å; R242-H285 PolarHBondContact NH2-O 2.93Å; Y281-H285 HydrophobicContact CD1-CB 4.47Å; Y281-H285 AromaticContact CD1-CD2 3.9Å; Y281-H285 AromaticContact CD2-CD2 3.49Å; Y281-H285 VanDerWaalsContact CD2-CD2 3.49Å; Y281-H285 WeakPolarHBondContact CD2-CD2 3.31Å; Y281-H285 AromaticContact CD2-NE2 3.92Å; Y281-H285 HydrophobicContact CE1-CB 4.1Å; Y281-H285 AromaticContact CE1-CD2 3.77Å; Y281-H285 AromaticContact CE2-CD2 3.34Å; Y281-H285 WeakPolarHBondContact CE2-CD2 3.32Å; Y281-H285 AromaticContact CE2-NE2 3.68Å; Y281-H285 AromaticContact CG-CD2 3.76Å; Y281-H285 AromaticContact CZ-CD2 3.48Å; Y281-H285 VanDerWaalsContact CZ-CD2 3.48Å; Y281-H285 WeakPolarHBondContact O-CB 3.45Å; Y281-H285 PolarHBondContact O-CD2 3.08Å; Y281-H285 VanDerWaalsContact O-CD2 3.25Å; Y281-H285 PolarHBondContact O-N 3.49Å
286G98Very high97.8Very high22 Ų2264.8 Ų64.823%0.22734%0.343CS..  trans114152.7179.400000113R242 L282 S290R242-G286 VanDerWaalsContact CG-O 3.24Å; R242-G286 WeakPolarHBondContact CG-O 3.36Å; L282-G286 WeakPolarHBondContact CD2-O 3.5Å; L282-G286 CarbonylContact O-C 3.43Å; L282-G286 VanDerWaalsContact O-CA 3.23Å; L282-G286 WeakPolarHBondContact O-CA 3.48Å; L282-G286 PolarHBondContact O-N 3Å; G286-S290 VanDerWaalsContact C-OG 3.28Å
287V97.4Very high97.6Very high56 Ų5667.4 Ų67.434%0.33935%0.354SS..  trans-74.8179.6-176.5-620000112.7G289 S290 P295V287-G289 PolarHBondContact O-N 2.77Å; V287-S290 WeakPolarHBondContact O-CB 3.29Å; V287-S290 PolarHBondContact O-N 3.2Å; V287-S290 PolarHBondContact O-OG 3.06Å; V287-P295 HydrophobicContact CG2-CB 3.84Å
288Q98.1Very high96.9Very high25 Ų2569.2 Ų69.212%0.11737%0.369CS..THydrogen-bonded Turntrans-48.4133.6173179.5173.9-2600111.8I241 T244 P245 V248 S290 P295 W296I241-Q288 HydrophobicContact CG2-CB 3.82Å; I241-Q288 HydrophobicContact CG2-CG 4.38Å; I241-Q288 VanDerWaalsContact O-CA 3.31Å; I241-Q288 WeakPolarHBondContact O-CA 3.4Å; I241-Q288 WeakPolarHBondContact O-CG 3.47Å; T244-Q288 WeakPolarHBondContact O-CG 3.27Å; P245-Q288 PolarHBondContact O-NE2 3.5Å; V248-Q288 PolarHBondContact O-NE2 3.48Å; Q288-S290 PolarHBondContact O-N 2.88Å; Q288-P295 CarbonylContact O-C 3.48Å; Q288-P295 WeakPolarHBondContact O-CA 3.46Å; Q288-W296 HydrophobicContact CB-CB 4.23Å; Q288-W296 PolarHBondContact O-N 2.66Å
289G98.4Very high96.1Very high0 Ų072.6 Ų72.60%039%0.391CS..THydrogen-bonded Turntrans75.4-3.6-179.200000115.5I241 R242 T244 V287 A291 L292 G293 R294I241-G289 PolarHBondContact O-N 3.08Å; R242-G289 CarbonylContact O-C 3.58Å; R242-G289 VanDerWaalsContact O-C 3.29Å; R242-G289 WeakPolarHBondContact O-CA 3.36Å; R242-G289 PolarHBondContact O-N 2.82Å; R242-G289 VanDerWaalsContact O-N 3.07Å; T244-G289 VanDerWaalsContact O-CA 3.31Å; T244-G289 WeakPolarHBondContact O-CA 3.49Å; T244-G289 PolarHBondContact O-N 3.3Å; T244-G289 VanDerWaalsContact O-N 3.09Å; V287-G289 PolarHBondContact O-N 2.77Å; G289-A291 VanDerWaalsContact C-N 3.33Å; G289-A291 PolarHBondContact O-N 3.01Å; G289-L292 WeakPolarHBondContact O-CB 3.4Å; G289-L292 PolarHBondContact O-N 3.36Å; G289-G293 PolarHBondContact O-N 3.38Å; G289-R294 CarbonylContact C-O 3.57Å; G289-R294 WeakPolarHBondContact CA-O 3.35Å; G289-R294 CarbonylContact O-C 3.48Å; G289-R294 PolarHBondContact O-N 3.27Å
290S98.3Very high95Very high31 Ų3174.5 Ų74.522%0.21741%0.407CS..G310 helixtrans-61.1-38.9179.158.70000112.9R242 G286 V287 Q288 L292 G293R242-S290 PolarHBondContact NE-OG 3.17Å; R242-S290 PolarHBondContact O-N 3.25Å; G286-S290 VanDerWaalsContact C-OG 3.28Å; V287-S290 WeakPolarHBondContact O-CB 3.29Å; V287-S290 PolarHBondContact O-N 3.2Å; V287-S290 PolarHBondContact O-OG 3.06Å; Q288-S290 PolarHBondContact O-N 2.88Å; S290-L292 PolarHBondContact O-N 2.85Å; S290-G293 PolarHBondContact O-N 2.9Å; S290-G293 VanDerWaalsContact O-N 3.09Å
291A98.3Very high92.8Very high39 Ų3981.1 Ų81.132%0.32244%0.444SS..G310 helixtrans-70.1-16.9176.800000112.9R242 H243 G289R242-A291 HydrophobicContact CB-CB 3.93Å; R242-A291 PolarHBondContact O-N 3.04Å; H243-A291 VanDerWaalsContact CE1-CB 3.48Å; H243-A291 WeakPolarHBondContact CE1-CB 3.48Å; G289-A291 VanDerWaalsContact C-N 3.33Å; G289-A291 PolarHBondContact O-N 3.01Å
292L98Very high92.6Very high76 Ų7683.5 Ų83.540%0.39846%0.459SS..G310 helixtrans-92.12.9173.8-54.6-179.4000113H243 P245 G289 S290 R294H243-L292 WeakPolarHBondContact O-CD1 3.45Å; P245-L292 HydrophobicContact CB-CD1 4.42Å; P245-L292 HydrophobicContact CG-CD1 3.93Å; G289-L292 WeakPolarHBondContact O-CB 3.4Å; G289-L292 PolarHBondContact O-N 3.36Å; S290-L292 PolarHBondContact O-N 2.85Å; L292-R294 PolarHBondContact O-N 3.2Å
293G97.9Very high92.3Very high65 Ų6586.6 Ų86.667%0.6748%0.476SS*.THydrogen-bonded Turntrans66.714.8-170.900000113.9G289 S290 P295G289-G293 PolarHBondContact O-N 3.38Å; S290-G293 PolarHBondContact O-N 2.9Å; S290-G293 VanDerWaalsContact O-N 3.09Å; G293-P295 VanDerWaalsContact C-CD 3.48Å
294R97.2Very high92Very high124 Ų12484.9 Ų84.947%0.46847%0.468SS..  trans-127.160.9-179.3-64.7177.563.3-143.9-9110.1P246 E247 G289 L292 W296P246-R294 HydrophobicContact CG-CB 4.43Å; E247-R294 IonicContact OE1-CZ 2.81Å; E247-R294 IonicContact OE1-NH1 2.82Å; E247-R294 PolarHBondContact OE1-NH1 2.92Å; E247-R294 IonicContact OE1-NH2 3.26Å; E247-R294 PolarHBondContact OE1-NH2 2.94Å; E247-R294 VanDerWaalsContact OE1-NH2 3.15Å; E247-R294 IonicContact OE2-CZ 3.56Å; E247-R294 IonicContact OE2-NH1 3.73Å; E247-R294 IonicContact OE2-NH2 3.83Å; E247-R294 PolarHBondContact OE2-NH2 2.96Å; G289-R294 CarbonylContact C-O 3.57Å; G289-R294 WeakPolarHBondContact CA-O 3.35Å; G289-R294 CarbonylContact O-C 3.48Å; G289-R294 PolarHBondContact O-N 3.27Å; L292-R294 PolarHBondContact O-N 3.2Å; R294-W296 PolarHBondContact O-N 3.05Å
295P97.3Very high91.6Very high62 Ų6281.4 Ų81.440%0.40346%0.456SS..  trans-60.1140.8-176.727.4-35000110.8V287 Q288 G293 L297V287-P295 HydrophobicContact CG2-CB 3.84Å; Q288-P295 CarbonylContact O-C 3.48Å; Q288-P295 WeakPolarHBondContact O-CA 3.46Å; G293-P295 VanDerWaalsContact C-CD 3.48Å; P295-L297 PolarHBondContact O-N 3.34Å
296W95.6Very high91.2Very high111 Ų11181.8 Ų81.842%0.4246%0.463SS..  trans-60.5129.4171.4-179.587.7000109.5P246 Q288 R294 P298P246-W296 HydrophobicContact CB-CB 4.09Å; Q288-W296 HydrophobicContact CB-CB 4.23Å; Q288-W296 PolarHBondContact O-N 2.66Å; R294-W296 PolarHBondContact O-N 3.05Å; W296-P298 VanDerWaalsContact CH2-CA 3.45Å; W296-P298 HydrophobicContact CH2-CB 3.96Å; W296-P298 HydrophobicContact CZ3-CB 4.04Å
297L91.6Very high90.7Very high129 Ų12985.7 Ų85.768%0.67548%0.478SS*.  trans-108.3140175.6-61.3177.3000109.3P295P295-L297 PolarHBondContact O-N 3.34Å
298P84.7Confident90.2Very high87 Ų8787.9 Ų87.957%0.56549%0.488SS*.PPolyproline II helixtrans-58.8142.417025.8-31.8000109.7W296 T300W296-P298 VanDerWaalsContact CH2-CA 3.45Å; W296-P298 HydrophobicContact CH2-CB 3.96Å; W296-P298 HydrophobicContact CZ3-CB 4.04Å; P298-T300 PolarHBondContact O-N 2.89Å
299P79.5Confident89.6Confident71 Ų7192.7 Ų92.746%0.46152%0.517SS..PPolyproline II helixtrans-54.9131.9170.9-16.426.7000109.2E301P299-E301 PolarHBondContact O-N 3.13Å
300T74.8Confident88.9Confident138 Ų138100.4 Ų100.485%0.84756%0.56SS**PPolyproline II helixtrans-64.8129.5168.546.40000108.9P298P298-T300 PolarHBondContact O-N 2.89Å
301E53.7Low88.1Confident272 Ų272106.7 Ų106.7100%1.27159%0.591SS**  trans-60.10174.8-69.5-173.516400112.9P299P299-E301 PolarHBondContact O-N 3.13Å

Retrieved 301 of 301 residues in 2042.5 ms (Link to these results)

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