A0A077ZBB2_TRITR Loading...

Vacuolar protein sorting-associated protein 45

AlphaFold DB , UniProt , Accession A0A077ZBB2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 566 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
1M80.5Confident94.5Very high121 Ų12138.5 Ų38.560%0.59620%0.197SC*.  0119.50-166.2174.5-73.800108.4E5 A6M1-E5 WeakPolarHBondContact CA-OE2 3.26Å; M1-E5 HydrophobicContact CG-CB 3.89Å; M1-A6 HydrophobicContact CG-CB 4.14Å; M1-A6 HydrophobicContact SD-CB 3.82Å
2S92.1Very high94.7Very high21 Ų2136.9 Ų36.915%0.14720%0.197CC..  trans-85.2171.8172.768.60000111.9V4 E5 A6S2-V4 VanDerWaalsContact C-N 3.33Å; S2-V4 PolarHBondContact O-N 3.06Å; S2-E5 PolarHBondContact N-OE2 2.97Å; S2-E5 PolarHBondContact O-N 2.68Å; S2-E5 WeakPolarHBondContact OG-CB 3.4Å; S2-E5 VanDerWaalsContact OG-CD 3.25Å; S2-E5 VanDerWaalsContact OG-CG 3.26Å; S2-E5 WeakPolarHBondContact OG-CG 3.19Å; S2-E5 PolarHBondContact OG-N 3.1Å; S2-E5 PolarHBondContact OG-OE1 2.76Å; S2-A6 PolarHBondContact O-N 3.38Å
3L95.9Very high94.8Very high0 Ų039.4 Ų39.40%021%0.207CC..Hα-helixtrans-57.2-46.5175-70.8163.9000112.1A6 I7 F130 P132 P135 F138 V166 L170 I532L3-A6 PolarHBondContact O-N 2.66Å; L3-I7 WeakPolarHBondContact O-CG1 3.31Å; L3-I7 PolarHBondContact O-N 3.36Å; L3-I7 VanDerWaalsContact O-N 3.15Å; L3-F130 HydrophobicContact CB-CE2 4.25Å; L3-F130 HydrophobicContact CD2-CD2 4.44Å; L3-F130 HydrophobicContact CD2-CE2 3.65Å; L3-F130 HydrophobicContact CD2-CZ 3.96Å; L3-P132 HydrophobicContact CB-CB 4.26Å; L3-P135 PolarHBondContact N-O 3.03Å; L3-F138 HydrophobicContact CD1-CB 4Å; L3-F138 HydrophobicContact CD1-CD1 3.92Å; L3-F138 HydrophobicContact CD1-CG 4.43Å; L3-F138 HydrophobicContact CD2-CD1 4.17Å; L3-V166 HydrophobicContact CD2-CG1 4.11Å; L3-L170 HydrophobicContact CD2-CD1 3.88Å; L3-L170 HydrophobicContact CD2-CD2 4.21Å; L3-L170 HydrophobicContact CD2-CG 4.22Å; L3-I532 HydrophobicContact CD1-CG2 3.65Å; L3-I532 HydrophobicContact CD2-CG2 4.42Å; L3-I532 HydrophobicContact CG-CG2 4.28Å
4V95.6Very high94.9Very high3 Ų336.6 Ų36.62%0.01819%0.192CC..Hα-helixtrans-65.4-44.2-179.4-179.60000110.4S2 A6 I7 R8 P132 M270S2-V4 VanDerWaalsContact C-N 3.33Å; S2-V4 PolarHBondContact O-N 3.06Å; V4-A6 VanDerWaalsContact C-N 3.32Å; V4-A6 PolarHBondContact O-N 2.75Å; V4-I7 PolarHBondContact O-N 2.94Å; V4-R8 HydrophobicContact CG1-CG 4.22Å; V4-R8 WeakPolarHBondContact O-CB 3.47Å; V4-R8 VanDerWaalsContact O-CG 3.31Å; V4-R8 WeakPolarHBondContact O-CG 3.46Å; V4-R8 PolarHBondContact O-N 3.12Å; V4-P132 HydrophobicContact CG2-CB 3.99Å; V4-M270 HydrophobicContact CB-SD 4.48Å; V4-M270 HydrophobicContact CG1-CG 3.98Å; V4-M270 HydrophobicContact CG1-SD 4.08Å
5E96.2Very high95.1Very high107 Ų10734.6 Ų34.650%0.518%0.182SC..Hα-helixtrans-61-40.6177.4-74.6161.8-158.700112.2M1 S2 R8 A9M1-E5 WeakPolarHBondContact CA-OE2 3.26Å; M1-E5 HydrophobicContact CG-CB 3.89Å; S2-E5 PolarHBondContact N-OE2 2.97Å; S2-E5 PolarHBondContact O-N 2.68Å; S2-E5 WeakPolarHBondContact OG-CB 3.4Å; S2-E5 VanDerWaalsContact OG-CD 3.25Å; S2-E5 VanDerWaalsContact OG-CG 3.26Å; S2-E5 WeakPolarHBondContact OG-CG 3.19Å; S2-E5 PolarHBondContact OG-N 3.1Å; S2-E5 PolarHBondContact OG-OE1 2.76Å; E5-R8 PolarHBondContact O-N 3.16Å; E5-A9 WeakPolarHBondContact O-CB 3.27Å; E5-A9 PolarHBondContact O-N 3.21Å
6A96Very high95.1Very high2 Ų242.3 Ų42.32%0.01721%0.207CC..Hα-helixtrans-64-46.1178.700000111.6M1 S2 L3 V4 A9 Y10 A169 L170M1-A6 HydrophobicContact CG-CB 4.14Å; M1-A6 HydrophobicContact SD-CB 3.82Å; S2-A6 PolarHBondContact O-N 3.38Å; L3-A6 PolarHBondContact O-N 2.66Å; V4-A6 VanDerWaalsContact C-N 3.32Å; V4-A6 PolarHBondContact O-N 2.75Å; A6-A9 PolarHBondContact O-N 3.42Å; A6-Y10 VanDerWaalsContact O-CD2 3.27Å; A6-Y10 WeakPolarHBondContact O-CD2 3.31Å; A6-Y10 PolarHBondContact O-N 2.97Å; A6-Y10 VanDerWaalsContact O-N 3.1Å; A6-A169 HydrophobicContact CB-CB 4.03Å; A6-L170 HydrophobicContact CB-CD2 4.46Å
7I97.4Very high95.2Very high0 Ų043.7 Ų43.70%022%0.216CC..Hα-helixtrans-66-41.1176.6-64.5-65.6000111.1L3 V4 A9 Y10 I11 I34 A38 A128 F130 P132L3-I7 WeakPolarHBondContact O-CG1 3.31Å; L3-I7 PolarHBondContact O-N 3.36Å; L3-I7 VanDerWaalsContact O-N 3.15Å; V4-I7 PolarHBondContact O-N 2.94Å; I7-A9 VanDerWaalsContact C-N 3.31Å; I7-A9 PolarHBondContact O-N 3.06Å; I7-Y10 PolarHBondContact O-N 3.18Å; I7-I11 HydrophobicContact CG2-CD1 3.62Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 WeakPolarHBondContact O-CG1 3.06Å; I7-I11 PolarHBondContact O-N 3.43Å; I7-I34 HydrophobicContact CD1-CG2 4.24Å; I7-I34 HydrophobicContact CG2-CG2 3.59Å; I7-A38 HydrophobicContact CG2-CB 3.67Å; I7-A128 HydrophobicContact CD1-CB 3.49Å; I7-A128 VanDerWaalsContact CD1-CB 3.49Å; I7-F130 HydrophobicContact CD1-CD1 4.43Å; I7-F130 HydrophobicContact CD1-CD2 4.49Å; I7-F130 HydrophobicContact CD1-CE1 3.85Å; I7-F130 HydrophobicContact CD1-CE2 3.93Å; I7-F130 HydrophobicContact CD1-CZ 3.59Å; I7-F130 HydrophobicContact CG1-CE1 4.48Å; I7-F130 HydrophobicContact CG1-CE2 3.73Å; I7-F130 HydrophobicContact CG1-CZ 3.72Å; I7-P132 HydrophobicContact CB-CG 3.9Å; I7-P132 HydrophobicContact CG1-CB 4.17Å; I7-P132 HydrophobicContact CG1-CG 3.76Å; I7-P132 HydrophobicContact CG2-CG 3.98Å
8R96.7Very high95.2Very high66 Ų6641.4 Ų41.425%0.24921%0.205CC..Hα-helixtrans-61-41.1175.4-75.2179.569.3106.4-7111.5V4 E5 I11 G12 A38 Y39 E43V4-R8 HydrophobicContact CG1-CG 4.22Å; V4-R8 WeakPolarHBondContact O-CB 3.47Å; V4-R8 VanDerWaalsContact O-CG 3.31Å; V4-R8 WeakPolarHBondContact O-CG 3.46Å; V4-R8 PolarHBondContact O-N 3.12Å; E5-R8 PolarHBondContact O-N 3.16Å; R8-I11 PolarHBondContact O-N 3.33Å; R8-G12 PolarHBondContact O-N 3.13Å; R8-A38 WeakPolarHBondContact CD-O 3.47Å; R8-A38 HydrophobicContact CG-CB 4Å; R8-A38 WeakPolarHBondContact CG-O 3.39Å; R8-A38 PolarHBondContact NH1-O 3.45Å; R8-Y39 HydrophobicContact CB-CE2 3.9Å; R8-Y39 HydrophobicContact CG-CD2 4.15Å; R8-Y39 HydrophobicContact CG-CE2 3.75Å; R8-Y39 PolarHBondContact O-OH 2.84Å; R8-E43 IonicContact CZ-OE1 3.54Å; R8-E43 IonicContact NH1-OE1 2.81Å; R8-E43 PolarHBondContact NH1-OE1 3.31Å; R8-E43 VanDerWaalsContact NH1-OE1 3.08Å; R8-E43 IonicContact NH1-OE2 2.92Å; R8-E43 PolarHBondContact NH1-OE2 3.26Å; R8-E43 IonicContact NH2-OE1 3.62Å; R8-E43 PolarHBondContact NH2-OE1 3.25Å
9A96.4Very high95.2Very high54 Ų5440.5 Ų40.545%0.44621%0.207SC..Hα-helixtrans-61.7-44.9176.400000112.1E5 A6 I7 E13E5-A9 WeakPolarHBondContact O-CB 3.27Å; E5-A9 PolarHBondContact O-N 3.21Å; A6-A9 PolarHBondContact O-N 3.42Å; I7-A9 VanDerWaalsContact C-N 3.31Å; I7-A9 PolarHBondContact O-N 3.06Å; A9-E13 WeakPolarHBondContact O-CB 2.99Å; A9-E13 PolarHBondContact O-N 3Å
10Y96.7Very high95.1Very high48 Ų4843.8 Ų43.819%0.18823%0.231CC..Hα-helixtrans-62.5-49.4176.6-76.1-54.2000112.6A6 I7 G12 E13 M14 L126 A128 A169A6-Y10 VanDerWaalsContact O-CD2 3.27Å; A6-Y10 WeakPolarHBondContact O-CD2 3.31Å; A6-Y10 PolarHBondContact O-N 2.97Å; A6-Y10 VanDerWaalsContact O-N 3.1Å; I7-Y10 PolarHBondContact O-N 3.18Å; Y10-G12 PolarHBondContact O-N 3.26Å; Y10-E13 WeakPolarHBondContact O-CB 3.36Å; Y10-E13 PolarHBondContact O-N 3.17Å; Y10-M14 VanDerWaalsContact O-CG 3.29Å; Y10-M14 WeakPolarHBondContact O-CG 3.19Å; Y10-M14 PolarHBondContact O-N 3.05Å; Y10-L126 HydrophobicContact CD1-CB 4.12Å; Y10-L126 HydrophobicContact CD1-CD2 3.86Å; Y10-L126 HydrophobicContact CD1-CG 4.5Å; Y10-L126 HydrophobicContact CE1-CD2 4.49Å; Y10-L126 HydrophobicContact CG-CB 4.34Å; Y10-A128 HydrophobicContact CD2-CB 4.05Å; Y10-A128 HydrophobicContact CG-CB 4.46Å; Y10-A169 HydrophobicContact CE2-CB 3.8Å
11I96.6Very high95Very high2 Ų243 Ų431%0.0123%0.233CC..Hα-helixtrans-65.2-42.6-179.4-61.2163000110.4I7 R8 E13 M14 I15 V35 A38 Y39 M44I7-I11 HydrophobicContact CG2-CD1 3.62Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 WeakPolarHBondContact O-CG1 3.06Å; I7-I11 PolarHBondContact O-N 3.43Å; R8-I11 PolarHBondContact O-N 3.33Å; I11-E13 VanDerWaalsContact C-N 3.26Å; I11-E13 PolarHBondContact O-N 2.72Å; I11-M14 HydrophobicContact CG1-SD 4.46Å; I11-M14 WeakPolarHBondContact O-CB 3.48Å; I11-M14 PolarHBondContact O-N 3.34Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.42Å; I11-I15 VanDerWaalsContact O-N 3.12Å; I11-V35 HydrophobicContact CD1-CB 4.34Å; I11-V35 HydrophobicContact CD1-CG2 3.87Å; I11-V35 HydrophobicContact CG1-CG2 4.35Å; I11-A38 HydrophobicContact CD1-CB 3.84Å; I11-Y39 HydrophobicContact CB-CD2 4.28Å; I11-Y39 HydrophobicContact CB-CE2 3.84Å; I11-Y39 HydrophobicContact CD1-CD2 4.09Å; I11-Y39 HydrophobicContact CD1-CE2 4.31Å; I11-Y39 HydrophobicContact CG2-CD2 4.06Å; I11-Y39 HydrophobicContact CG2-CE2 3.9Å; I11-M44 HydrophobicContact CG2-CE 3.51Å
12G96.4Very high95.8Very high19 Ų1941.9 Ų41.920%0.19623%0.228CC..Hα-helixtrans-58.7-39.2175.400000112.4R8 Y10 I15 R16R8-G12 PolarHBondContact O-N 3.13Å; Y10-G12 PolarHBondContact O-N 3.26Å; G12-I15 PolarHBondContact O-N 3.24Å; G12-R16 WeakPolarHBondContact O-CB 3.3Å; G12-R16 PolarHBondContact O-N 2.8Å
13E96.1Very high96Very high69 Ų6941.1 Ų41.132%0.32222%0.222SC..Hα-helixtrans-65.9-40.7175.9-176.362-17400112.4A9 Y10 I11 I15 R16 L17A9-E13 WeakPolarHBondContact O-CB 2.99Å; A9-E13 PolarHBondContact O-N 3Å; Y10-E13 WeakPolarHBondContact O-CB 3.36Å; Y10-E13 PolarHBondContact O-N 3.17Å; I11-E13 VanDerWaalsContact C-N 3.26Å; I11-E13 PolarHBondContact O-N 2.72Å; E13-I15 VanDerWaalsContact C-N 3.33Å; E13-I15 PolarHBondContact O-N 2.86Å; E13-R16 PolarHBondContact O-N 3.45Å; E13-R16 IonicContact OE1-CZ 3.51Å; E13-R16 IonicContact OE1-NE 3.57Å; E13-R16 IonicContact OE1-NH2 2.66Å; E13-R16 PolarHBondContact OE1-NH2 2.93Å; E13-R16 IonicContact OE2-CZ 3.49Å; E13-R16 IonicContact OE2-NE 2.75Å; E13-R16 PolarHBondContact OE2-NE 2.73Å; E13-R16 IonicContact OE2-NH2 3.38Å; E13-R16 PolarHBondContact OE2-NH2 3.09Å; E13-L17 HydrophobicContact CG-CD1 4.05Å; E13-L17 HydrophobicContact CG-CG 4.34Å; E13-L17 WeakPolarHBondContact O-CB 3.49Å; E13-L17 VanDerWaalsContact O-CG 3.31Å; E13-L17 WeakPolarHBondContact O-CG 3.33Å; E13-L17 PolarHBondContact O-N 3.3Å
14M96.5Very high96Very high0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-56.7-48.1174.1-64.7164.565.500112.1Y10 I11 R16 L17 S18 V70 F72 F98 L126Y10-M14 VanDerWaalsContact O-CG 3.29Å; Y10-M14 WeakPolarHBondContact O-CG 3.19Å; Y10-M14 PolarHBondContact O-N 3.05Å; I11-M14 HydrophobicContact CG1-SD 4.46Å; I11-M14 WeakPolarHBondContact O-CB 3.48Å; I11-M14 PolarHBondContact O-N 3.34Å; M14-R16 VanDerWaalsContact C-N 3.33Å; M14-L17 PolarHBondContact O-N 2.79Å; M14-S18 PolarHBondContact O-N 3.24Å; M14-V70 HydrophobicContact CB-CG1 4.28Å; M14-V70 HydrophobicContact CE-CG1 3.91Å; M14-F72 HydrophobicContact CE-CB 3.35Å; M14-F72 HydrophobicContact CE-CD1 4.16Å; M14-F72 HydrophobicContact CE-CD2 3.63Å; M14-F72 HydrophobicContact CE-CG 3.43Å; M14-F72 VanDerWaalsContact CE-CG 3.43Å; M14-F72 HydrophobicContact SD-CD1 4.44Å; M14-F72 HydrophobicContact SD-CD2 4.05Å; M14-F72 HydrophobicContact SD-CE2 4.39Å; M14-F72 HydrophobicContact SD-CG 4.11Å; M14-F98 HydrophobicContact CB-CD2 4.03Å; M14-F98 HydrophobicContact CB-CE1 4.39Å; M14-F98 HydrophobicContact CB-CE2 3.86Å; M14-F98 HydrophobicContact CB-CG 4.35Å; M14-F98 HydrophobicContact CB-CZ 4.06Å; M14-F98 HydrophobicContact CE-CB 3.57Å; M14-F98 HydrophobicContact CE-CD2 3.57Å; M14-F98 HydrophobicContact CE-CE2 4.42Å; M14-F98 HydrophobicContact CE-CG 3.69Å; M14-F98 HydrophobicContact CG-CB 4.28Å; M14-F98 HydrophobicContact CG-CD1 3.82Å; M14-F98 HydrophobicContact CG-CD2 3.9Å; M14-F98 HydrophobicContact CG-CE1 4.08Å; M14-F98 HydrophobicContact CG-CE2 4.12Å; M14-F98 HydrophobicContact CG-CG 3.73Å; M14-F98 HydrophobicContact CG-CZ 4.22Å; M14-F98 HydrophobicContact SD-CB 4.3Å; M14-F98 HydrophobicContact SD-CG 4.35Å; M14-L126 HydrophobicContact CE-CD1 4.24Å; M14-L126 HydrophobicContact CG-CD1 3.21Å; M14-L126 HydrophobicContact SD-CD1 3.19Å; M14-L126 WeakPolarHBondContact SD-CD1 3.47Å
15I96.9Very high96.1Very high7 Ų741 Ų414%0.03622%0.221CC..Hα-helixtrans-67.1-39.8-179.5-57-50.8000110.1I11 G12 E13 S18 K23 Q47 V49 V70I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.42Å; I11-I15 VanDerWaalsContact O-N 3.12Å; G12-I15 PolarHBondContact O-N 3.24Å; E13-I15 VanDerWaalsContact C-N 3.33Å; E13-I15 PolarHBondContact O-N 2.86Å; I15-S18 PolarHBondContact O-N 2.92Å; I15-S18 PolarHBondContact O-OG 3.24Å; I15-K23 HydrophobicContact CG2-CD 3.95Å; I15-Q47 HydrophobicContact CG2-CB 3.73Å; I15-V49 HydrophobicContact CD1-CG2 3.6Å; I15-V49 HydrophobicContact CG1-CG2 4.18Å; I15-V49 HydrophobicContact CG2-CG2 4.12Å; I15-V70 HydrophobicContact CD1-CB 4.45Å; I15-V70 HydrophobicContact CD1-CG1 4.16Å; I15-V70 HydrophobicContact CD1-CG2 4.26Å
16R96Very high96.2Very high157 Ų15736 Ų3659%0.59220%0.198SC*.Hα-helixtrans-61.3-46.7176-168.5-17072.878.30112.3G12 E13 M14 S18 G19G12-R16 WeakPolarHBondContact O-CB 3.3Å; G12-R16 PolarHBondContact O-N 2.8Å; E13-R16 PolarHBondContact O-N 3.45Å; E13-R16 IonicContact OE1-CZ 3.51Å; E13-R16 IonicContact OE1-NE 3.57Å; E13-R16 IonicContact OE1-NH2 2.66Å; E13-R16 PolarHBondContact OE1-NH2 2.93Å; E13-R16 IonicContact OE2-CZ 3.49Å; E13-R16 IonicContact OE2-NE 2.75Å; E13-R16 PolarHBondContact OE2-NE 2.73Å; E13-R16 IonicContact OE2-NH2 3.38Å; E13-R16 PolarHBondContact OE2-NH2 3.09Å; M14-R16 VanDerWaalsContact C-N 3.33Å; R16-S18 PolarHBondContact O-N 3.34Å; R16-G19 PolarHBondContact O-N 3.22Å
17L96.2Very high96.3Very high67 Ų6736.3 Ų36.335%0.35120%0.199SC..Hα-helixtrans-63.1-30.8179.9-73.1172.5000112.5E13 M14 G19 F98E13-L17 HydrophobicContact CG-CD1 4.05Å; E13-L17 HydrophobicContact CG-CG 4.34Å; E13-L17 WeakPolarHBondContact O-CB 3.49Å; E13-L17 VanDerWaalsContact O-CG 3.31Å; E13-L17 WeakPolarHBondContact O-CG 3.33Å; E13-L17 PolarHBondContact O-N 3.3Å; M14-L17 PolarHBondContact O-N 2.79Å; L17-G19 PolarHBondContact O-N 3.28Å; L17-F98 HydrophobicContact CB-CZ 4.25Å; L17-F98 HydrophobicContact CD1-CE1 4Å; L17-F98 HydrophobicContact CD1-CZ 4.23Å
18S95.6Very high96.3Very high2 Ų236.5 Ų36.51%0.01420%0.2CC..THydrogen-bonded Turntrans-70.4-9.6174.974.60000114.5M14 I15 R16 K23 K68M14-S18 PolarHBondContact O-N 3.24Å; I15-S18 PolarHBondContact O-N 2.92Å; I15-S18 PolarHBondContact O-OG 3.24Å; R16-S18 PolarHBondContact O-N 3.34Å; S18-K23 VanDerWaalsContact OG-CD 3.24Å; S18-K23 WeakPolarHBondContact OG-CD 3.45Å; S18-K23 WeakPolarHBondContact OG-CE 3.3Å; S18-K68 VanDerWaalsContact O-CD 3.3Å; S18-K68 WeakPolarHBondContact O-CD 3.31Å; S18-K68 PolarHBondContact O-NZ 3.41Å
19G94.1Very high96.2Very high24 Ų2440.4 Ų40.425%0.24722%0.219CC..  trans69.3-178.7177.400000114.3R16 L17 K23R16-G19 PolarHBondContact O-N 3.22Å; L17-G19 PolarHBondContact O-N 3.28Å; G19-K23 WeakPolarHBondContact O-CE 3.35Å; G19-K23 PolarHBondContact O-NZ 3.33Å; G19-K23 VanDerWaalsContact O-NZ 3.09Å
20P93.8Very high96.2Very high106 Ų10640.6 Ų40.669%0.68821%0.211SC*.SBendtrans-69.5160.3-178.529.2-35.6000112.8E48 K68P20-E48 WeakPolarHBondContact CA-OE2 2.87Å; P20-K68 PolarHBondContact O-NZ 3.38Å
21G93.6Very high96.3Very high27 Ų2738.3 Ų38.328%0.27820%0.202SC..SBendtrans112.5169.5179.800000113.1K23 E48G21-K23 WeakPolarHBondContact O-CG 3.48Å; G21-K23 PolarHBondContact O-NZ 3.17Å; G21-E48 VanDerWaalsContact N-CD 3.34Å; G21-E48 PolarHBondContact N-OE1 2.93Å; G21-E48 PolarHBondContact N-OE2 3.46Å; G21-E48 VanDerWaalsContact O-CB 3.28Å; G21-E48 WeakPolarHBondContact O-CB 3.33Å
22M96Very high96.3Very high98 Ų9840.4 Ų40.448%0.48321%0.214SC..  trans-68.3130.6-177.4-63.7-176.4-75.300112Y50 L67 K68M22-Y50 HydrophobicContact CB-CD2 4.2Å; M22-Y50 HydrophobicContact CB-CE2 4.41Å; M22-Y50 HydrophobicContact CG-CD2 4.05Å; M22-Y50 HydrophobicContact CG-CE2 3.93Å; M22-L67 HydrophobicContact CB-CD2 3.29Å; M22-L67 HydrophobicContact CE-CD2 4.21Å; M22-L67 HydrophobicContact CG-CD2 4.36Å; M22-L67 HydrophobicContact SD-CD2 4.28Å; M22-K68 PolarHBondContact O-N 2.86Å; M22-K68 VanDerWaalsContact O-N 3.17Å
23K97.3Very high96.3Very high6 Ų639.7 Ų39.73%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-123.4149.5-174.2-53169.4-17074.60112I15 S18 G19 G21 Q47 E48 V49 Y50 K68 V70I15-K23 HydrophobicContact CG2-CD 3.95Å; S18-K23 VanDerWaalsContact OG-CD 3.24Å; S18-K23 WeakPolarHBondContact OG-CD 3.45Å; S18-K23 WeakPolarHBondContact OG-CE 3.3Å; G19-K23 WeakPolarHBondContact O-CE 3.35Å; G19-K23 PolarHBondContact O-NZ 3.33Å; G19-K23 VanDerWaalsContact O-NZ 3.09Å; G21-K23 WeakPolarHBondContact O-CG 3.48Å; G21-K23 PolarHBondContact O-NZ 3.17Å; K23-Q47 PolarHBondContact NZ-O 3.32Å; K23-Q47 VanDerWaalsContact NZ-O 3.09Å; K23-E48 PolarHBondContact N-O 3.22Å; K23-E48 IonicContact NZ-OE2 2.73Å; K23-E48 PolarHBondContact NZ-OE2 3.34Å; K23-V49 HydrophobicContact CB-CG2 4.19Å; K23-V49 HydrophobicContact CD-CG2 4.15Å; K23-Y50 PolarHBondContact O-N 3.01Å; K23-Y50 VanDerWaalsContact O-N 3.17Å; K23-K68 CarbonylContact C-O 3.49Å; K23-K68 VanDerWaalsContact CA-O 3.31Å; K23-K68 WeakPolarHBondContact CA-O 3.03Å; K23-K68 HydrophobicContact CG-CB 4.45Å; K23-V70 HydrophobicContact CD-CG2 4.4Å
24V96.6Very high96.4Very high0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-107.9132.5163.9-176.10000108L51 Q53 L67 K68 V70 Y92V24-L51 CarbonylContact C-O 3.59Å; V24-L51 WeakPolarHBondContact CA-O 3.48Å; V24-L51 HydrophobicContact CB-CB 4.3Å; V24-L51 HydrophobicContact CB-CD2 4.44Å; V24-L51 HydrophobicContact CG1-CB 4.04Å; V24-L51 HydrophobicContact CG1-CD2 3.92Å; V24-L51 HydrophobicContact CG1-CG 4.06Å; V24-L51 HydrophobicContact CG2-CB 3.94Å; V24-L51 HydrophobicContact CG2-CD2 3.72Å; V24-L51 HydrophobicContact CG2-CG 4.35Å; V24-Q53 HydrophobicContact CG1-CB 4.5Å; V24-Q53 HydrophobicContact CG1-CG 4.16Å; V24-L67 HydrophobicContact CG2-CB 4.12Å; V24-L67 HydrophobicContact CG2-CD1 3.58Å; V24-L67 HydrophobicContact CG2-CG 4.44Å; V24-K68 PolarHBondContact N-O 3.15Å; V24-V70 PolarHBondContact O-N 3.25Å; V24-Y92 HydrophobicContact CB-CE1 4.3Å; V24-Y92 HydrophobicContact CG2-CD1 4.1Å; V24-Y92 HydrophobicContact CG2-CE1 3.63Å
25L97.6Very high96.4Very high1 Ų136.8 Ų36.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-98.2109.2169.3-17661.6000108.8M27 V35 V49 L51 F52 Q53 V70 F72L25-M27 HydrophobicContact CD1-CG 4.32Å; L25-M27 HydrophobicContact CD2-CE 3.99Å; L25-M27 HydrophobicContact CD2-CG 4.4Å; L25-M27 HydrophobicContact CD2-SD 3.65Å; L25-M27 HydrophobicContact CG-CE 4.03Å; L25-M27 HydrophobicContact CG-CG 3.88Å; L25-M27 HydrophobicContact CG-SD 3.78Å; L25-V35 HydrophobicContact CD2-CG1 3.93Å; L25-V35 HydrophobicContact CD2-CG2 4.38Å; L25-V49 HydrophobicContact CB-CG1 3.61Å; L25-L51 PolarHBondContact N-O 2.81Å; L25-F52 HydrophobicContact CB-CD1 4.21Å; L25-F52 HydrophobicContact CD2-CD1 4.1Å; L25-F52 HydrophobicContact CD2-CE1 4.18Å; L25-F52 WeakPolarHBondContact O-CA 3.35Å; L25-Q53 PolarHBondContact O-N 2.98Å; L25-V70 CarbonylContact C-O 3.5Å; L25-V70 WeakPolarHBondContact CA-O 3.35Å; L25-V70 HydrophobicContact CD1-CB 4.13Å; L25-V70 HydrophobicContact CD1-CG1 3.92Å; L25-V70 WeakPolarHBondContact CD1-O 3.37Å; L25-F72 HydrophobicContact CD1-CB 4.37Å
26L97.5Very high96.3Very high1 Ų138.1 Ų38.11%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-100.9117.9-179.1-175.865.1000109.2Q53 I55 V70 A71 F72 E86L26-Q53 HydrophobicContact CD1-CB 3.75Å; L26-I55 HydrophobicContact CD1-CB 4.1Å; L26-I55 HydrophobicContact CD1-CG1 4.49Å; L26-I55 HydrophobicContact CD2-CB 4.42Å; L26-I55 HydrophobicContact CD2-CD1 4.29Å; L26-I55 HydrophobicContact CD2-CG1 4.07Å; L26-I55 HydrophobicContact CG-CB 4.03Å; L26-I55 HydrophobicContact CG-CG1 4.25Å; L26-V70 PolarHBondContact N-O 3.46Å; L26-A71 HydrophobicContact CB-CB 4.44Å; L26-A71 CarbonylContact O-C 3.55Å; L26-A71 VanDerWaalsContact O-CA 3.26Å; L26-A71 WeakPolarHBondContact O-CA 3.44Å; L26-F72 PolarHBondContact O-N 3.43Å; L26-E86 HydrophobicContact CD2-CG 4.25Å
27M98Very high96.3Very high8 Ų830.7 Ų30.74%0.03918%0.176CC..EExtended strand (participates in β ladder)trans-128.7162.7-169.7-68.1174.1-66.700112L25 T31 T32 V35 F52 Q53 R54 I55 F72L25-M27 HydrophobicContact CD1-CG 4.32Å; L25-M27 HydrophobicContact CD2-CE 3.99Å; L25-M27 HydrophobicContact CD2-CG 4.4Å; L25-M27 HydrophobicContact CD2-SD 3.65Å; L25-M27 HydrophobicContact CG-CE 4.03Å; L25-M27 HydrophobicContact CG-CG 3.88Å; L25-M27 HydrophobicContact CG-SD 3.78Å; M27-T31 WeakPolarHBondContact CB-OG1 3.27Å; M27-T32 WeakPolarHBondContact CB-OG1 3.47Å; M27-V35 HydrophobicContact SD-CB 3.87Å; M27-V35 HydrophobicContact SD-CG1 4.28Å; M27-V35 HydrophobicContact SD-CG2 3.64Å; M27-F52 HydrophobicContact CE-CB 4.37Å; M27-F52 HydrophobicContact CE-CD1 4.23Å; M27-Q53 PolarHBondContact N-O 3.32Å; M27-R54 CarbonylContact O-C 3.57Å; M27-R54 WeakPolarHBondContact O-CA 3.38Å; M27-I55 PolarHBondContact O-N 3.49Å; M27-F72 WeakPolarHBondContact CA-O 3.36Å; M27-F72 HydrophobicContact CG-CB 4.31Å
28D97.5Very high96.3Very high5 Ų527.5 Ų27.53%0.02716%0.159CC..  trans-93.3-177.9162.568.444.5000110.5E30 T31 T32 I55 V73 R74 N79D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 2.86Å; D28-E30 WeakPolarHBondContact OD1-CA 3.25Å; D28-E30 WeakPolarHBondContact OD1-CB 3.4Å; D28-E30 PolarHBondContact OD1-N 2.89Å; D28-T31 PolarHBondContact N-OG1 3.32Å; D28-T31 PolarHBondContact O-OG1 3.05Å; D28-T31 PolarHBondContact OD1-N 3.38Å; D28-T31 PolarHBondContact OD1-OG1 3.22Å; D28-T32 VanDerWaalsContact O-CB 3.28Å; D28-T32 WeakPolarHBondContact O-CB 3.48Å; D28-T32 PolarHBondContact O-N 2.68Å; D28-T32 PolarHBondContact O-OG1 2.91Å; D28-I55 HydrophobicContact CB-CG2 4.11Å; D28-V73 HydrophobicContact CB-CG1 4.34Å; D28-V73 WeakPolarHBondContact OD2-CA 3.49Å; D28-R74 PolarHBondContact OD2-N 2.84Å; D28-N79 PolarHBondContact OD2-ND2 3.11Å
29K95.5Very high96.2Very high147 Ų14728.6 Ų28.664%0.63916%0.163SC*.Hα-helixtrans-57.6-41.8178.6-172.2-178.6173.5-175.20113.1
30E96.2Very high96.2Very high59 Ų5928.3 Ų28.328%0.27616%0.158SC..Hα-helixtrans-77.5-47.7-174.6-68.4178.290.500110.6D28 T32 A33 I34 R74 R158D28-E30 VanDerWaalsContact C-N 3.31Å; D28-E30 PolarHBondContact O-N 2.86Å; D28-E30 WeakPolarHBondContact OD1-CA 3.25Å; D28-E30 WeakPolarHBondContact OD1-CB 3.4Å; D28-E30 PolarHBondContact OD1-N 2.89Å; E30-T32 VanDerWaalsContact C-N 3.28Å; E30-T32 PolarHBondContact O-N 2.9Å; E30-A33 VanDerWaalsContact O-CB 3.32Å; E30-A33 WeakPolarHBondContact O-CB 3.3Å; E30-A33 PolarHBondContact O-N 3.11Å; E30-I34 WeakPolarHBondContact O-CG1 3.38Å; E30-I34 PolarHBondContact O-N 2.86Å; E30-R74 VanDerWaalsContact CB-CD 3.47Å; E30-R74 HydrophobicContact CB-CG 4.13Å; E30-R74 VanDerWaalsContact CD-NH1 3.34Å; E30-R74 WeakPolarHBondContact OE1-CD 2.85Å; E30-R74 IonicContact OE1-CZ 3.82Å; E30-R74 IonicContact OE1-NE 2.67Å; E30-R74 IonicContact OE1-NH1 3.7Å; E30-R74 PolarHBondContact OE1-NH1 2.92Å; E30-R74 VanDerWaalsContact OE1-NH1 3.13Å; E30-R74 WeakPolarHBondContact OE2-CD 3.4Å; E30-R74 IonicContact OE2-CZ 3.08Å; E30-R74 IonicContact OE2-NE 3.16Å; E30-R74 IonicContact OE2-NH1 3.17Å; E30-R74 PolarHBondContact OE2-NH1 3.13Å; E30-R158 IonicContact OE1-CZ 3.8Å; E30-R158 IonicContact OE1-NE 3.4Å; E30-R158 PolarHBondContact OE1-NE 3.42Å; E30-R158 VanDerWaalsContact OE1-NE 3.16Å; E30-R158 IonicContact OE1-NH2 3.75Å; E30-R158 PolarHBondContact OE1-NH2 2.88Å
31T97.8Very high96Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-67-29.5178.358.30000112.6M27 D28 A33 I34 V35 F72 R74M27-T31 WeakPolarHBondContact CB-OG1 3.27Å; D28-T31 PolarHBondContact N-OG1 3.32Å; D28-T31 PolarHBondContact O-OG1 3.05Å; D28-T31 PolarHBondContact OD1-N 3.38Å; D28-T31 PolarHBondContact OD1-OG1 3.22Å; T31-A33 VanDerWaalsContact C-N 3.27Å; T31-A33 PolarHBondContact O-N 3.27Å; T31-I34 WeakPolarHBondContact O-CB 3.49Å; T31-I34 PolarHBondContact O-N 2.82Å; T31-V35 WeakPolarHBondContact O-CG2 3.29Å; T31-V35 PolarHBondContact O-N 3.02Å; T31-F72 VanDerWaalsContact CB-O 3.29Å; T31-F72 WeakPolarHBondContact CB-O 3.28Å; T31-F72 HydrophobicContact CG2-CD1 3.96Å; T31-F72 HydrophobicContact CG2-CD2 4.27Å; T31-F72 HydrophobicContact CG2-CE1 3.91Å; T31-F72 HydrophobicContact CG2-CE2 4.23Å; T31-F72 HydrophobicContact CG2-CG 4.12Å; T31-F72 HydrophobicContact CG2-CZ 4.04Å; T31-F72 WeakPolarHBondContact CG2-O 3.26Å; T31-F72 PolarHBondContact OG1-O 3.02Å; T31-R74 HydrophobicContact CG2-CG 4.06Å
32T97.2Very high96Very high45 Ų4531.4 Ų31.428%0.27617%0.165SC..Hα-helixtrans-56.3-42.9169.5-61.60000111.4M27 D28 E30 S36M27-T32 WeakPolarHBondContact CB-OG1 3.47Å; D28-T32 VanDerWaalsContact O-CB 3.28Å; D28-T32 WeakPolarHBondContact O-CB 3.48Å; D28-T32 PolarHBondContact O-N 2.68Å; D28-T32 PolarHBondContact O-OG1 2.91Å; E30-T32 VanDerWaalsContact C-N 3.28Å; E30-T32 PolarHBondContact O-N 2.9Å; T32-S36 VanDerWaalsContact O-CB 3.24Å; T32-S36 WeakPolarHBondContact O-CB 3.31Å; T32-S36 PolarHBondContact O-N 3.09Å; T32-S36 PolarHBondContact O-OG 3.45Å
33A96.7Very high95.9Very high5 Ų529 Ų294%0.04115%0.152CC..Hα-helixtrans-63.4-44.3177.800000111.4E30 T31 S36 C37 V131 N247E30-A33 VanDerWaalsContact O-CB 3.32Å; E30-A33 WeakPolarHBondContact O-CB 3.3Å; E30-A33 PolarHBondContact O-N 3.11Å; T31-A33 VanDerWaalsContact C-N 3.27Å; T31-A33 PolarHBondContact O-N 3.27Å; A33-S36 PolarHBondContact O-N 2.86Å; A33-S36 PolarHBondContact O-OG 3Å; A33-C37 PolarHBondContact O-N 3.01Å; A33-C37 VanDerWaalsContact O-N 3.14Å; A33-V131 HydrophobicContact CB-CG2 3.89Å; A33-N247 VanDerWaalsContact CB-ND2 3.32Å; A33-N247 WeakPolarHBondContact CB-ND2 3.24Å
34I97.7Very high95.8Very high1 Ų128.8 Ų28.81%0.00515%0.151CC..Hα-helixtrans-59.2-51.4179.9-58.3178.9000110.8I7 E30 T31 S36 C37 A38 F72 A128 F130 V131I7-I34 HydrophobicContact CD1-CG2 4.24Å; I7-I34 HydrophobicContact CG2-CG2 3.59Å; E30-I34 WeakPolarHBondContact O-CG1 3.38Å; E30-I34 PolarHBondContact O-N 2.86Å; T31-I34 WeakPolarHBondContact O-CB 3.49Å; T31-I34 PolarHBondContact O-N 2.82Å; I34-S36 PolarHBondContact O-N 3.44Å; I34-C37 PolarHBondContact O-N 3.46Å; I34-A38 WeakPolarHBondContact O-CB 3.31Å; I34-A38 PolarHBondContact O-N 2.92Å; I34-F72 HydrophobicContact CG2-CE1 4.4Å; I34-A128 WeakPolarHBondContact CD1-O 3.38Å; I34-F130 WeakPolarHBondContact CG1-O 3.44Å; I34-V131 HydrophobicContact CG1-CG2 3.87Å
35V96.7Very high95.8Very high7 Ų732.7 Ų32.74%0.04217%0.17CC..Hα-helixtrans-63.8-43.5179.31770000110.8I11 L25 M27 T31 C37 A38 Y39 F72I11-V35 HydrophobicContact CD1-CB 4.34Å; I11-V35 HydrophobicContact CD1-CG2 3.87Å; I11-V35 HydrophobicContact CG1-CG2 4.35Å; L25-V35 HydrophobicContact CD2-CG1 3.93Å; L25-V35 HydrophobicContact CD2-CG2 4.38Å; M27-V35 HydrophobicContact SD-CB 3.87Å; M27-V35 HydrophobicContact SD-CG1 4.28Å; M27-V35 HydrophobicContact SD-CG2 3.64Å; T31-V35 WeakPolarHBondContact O-CG2 3.29Å; T31-V35 PolarHBondContact O-N 3.02Å; V35-C37 VanDerWaalsContact C-N 3.27Å; V35-C37 PolarHBondContact O-N 3.38Å; V35-A38 PolarHBondContact O-N 2.85Å; V35-A38 VanDerWaalsContact O-N 3.09Å; V35-Y39 PolarHBondContact O-N 2.87Å; V35-F72 HydrophobicContact CG2-CD1 3.8Å; V35-F72 HydrophobicContact CG2-CE1 4.08Å
36S94.7Very high95.7Very high34 Ų3440.1 Ų40.124%0.23821%0.205CC..Hα-helixtrans-64.4-28-17773.40000114.3T32 A33 I34T32-S36 VanDerWaalsContact O-CB 3.24Å; T32-S36 WeakPolarHBondContact O-CB 3.31Å; T32-S36 PolarHBondContact O-N 3.09Å; T32-S36 PolarHBondContact O-OG 3.45Å; A33-S36 PolarHBondContact O-N 2.86Å; A33-S36 PolarHBondContact O-OG 3Å; I34-S36 PolarHBondContact O-N 3.44Å
37C95.9Very high95.5Very high1 Ų143 Ų431%0.00722%0.219CC..Hα-helixtrans-81.6-30.6174.1-710000112.4A33 I34 V35 V131 P132 N247 N268A33-C37 PolarHBondContact O-N 3.01Å; A33-C37 VanDerWaalsContact O-N 3.14Å; I34-C37 PolarHBondContact O-N 3.46Å; V35-C37 VanDerWaalsContact C-N 3.27Å; V35-C37 PolarHBondContact O-N 3.38Å; C37-V131 HydrophobicContact CB-CG1 4.11Å; C37-V131 VanDerWaalsContact SG-CG1 3.51Å; C37-P132 HydrophobicContact CB-CG 4.47Å; C37-P132 WeakPolarHBondContact CB-O 3.44Å; C37-N247 VanDerWaalsContact SG-C 3.58Å; C37-N247 VanDerWaalsContact SG-CA 3.53Å; C37-N268 PolarHBondContact O-ND2 3.17Å
38A95.7Very high95.4Very high1 Ų145.7 Ų45.71%0.00823%0.231CC..Hα-helixtrans-84.7-34-175.700000113.7I7 R8 I11 I34 V35I7-A38 HydrophobicContact CG2-CB 3.67Å; R8-A38 WeakPolarHBondContact CD-O 3.47Å; R8-A38 HydrophobicContact CG-CB 4Å; R8-A38 WeakPolarHBondContact CG-O 3.39Å; R8-A38 PolarHBondContact NH1-O 3.45Å; I11-A38 HydrophobicContact CD1-CB 3.84Å; I34-A38 WeakPolarHBondContact O-CB 3.31Å; I34-A38 PolarHBondContact O-N 2.92Å; V35-A38 PolarHBondContact O-N 2.85Å; V35-A38 VanDerWaalsContact O-N 3.09Å
39Y95Very high95.4Very high24 Ų2445.5 Ų45.59%0.09423%0.23CC..  trans-136.1141.8-174.3-79.8-87.8000113.2R8 I11 V35 E43 M44R8-Y39 HydrophobicContact CB-CE2 3.9Å; R8-Y39 HydrophobicContact CG-CD2 4.15Å; R8-Y39 HydrophobicContact CG-CE2 3.75Å; R8-Y39 PolarHBondContact O-OH 2.84Å; I11-Y39 HydrophobicContact CB-CD2 4.28Å; I11-Y39 HydrophobicContact CB-CE2 3.84Å; I11-Y39 HydrophobicContact CD1-CD2 4.09Å; I11-Y39 HydrophobicContact CD1-CE2 4.31Å; I11-Y39 HydrophobicContact CG2-CD2 4.06Å; I11-Y39 HydrophobicContact CG2-CE2 3.9Å; V35-Y39 PolarHBondContact O-N 2.87Å; Y39-E43 HydrophobicContact CD1-CB 3.87Å; Y39-M44 VanDerWaalsContact CB-CE 3.41Å; Y39-M44 HydrophobicContact CD1-CE 3.5Å; Y39-M44 VanDerWaalsContact CD1-CE 3.5Å; Y39-M44 HydrophobicContact CD2-CE 3.19Å; Y39-M44 HydrophobicContact CE1-CE 3.95Å; Y39-M44 HydrophobicContact CE2-CE 3.67Å; Y39-M44 HydrophobicContact CG-CE 3.08Å
40A92.6Very high95.3Very high18 Ų1844 Ų4415%0.14922%0.221CC..  trans-74.7153.5164.700000110.5S42 E43 M44 Q271A40-S42 PolarHBondContact O-N 3.48Å; A40-E43 HydrophobicContact CB-CG 4.1Å; A40-E43 PolarHBondContact N-OE2 3.08Å; A40-E43 PolarHBondContact O-N 2.83Å; A40-E43 VanDerWaalsContact O-N 3.15Å; A40-M44 PolarHBondContact O-N 3.33Å; A40-M44 VanDerWaalsContact O-N 3.11Å; A40-Q271 VanDerWaalsContact N-NE2 3.13Å
41Q91.2Very high95.2Very high127 Ų12744.4 Ų44.459%0.59323%0.225SC*.Hα-helixtrans-58.9-37.8174.3-173.1177.8200111.8E43 M44 M45 F52Q41-E43 VanDerWaalsContact C-N 3.35Å; Q41-E43 PolarHBondContact O-N 2.83Å; Q41-M44 PolarHBondContact O-N 3.22Å; Q41-M45 HydrophobicContact CG-CG 4.47Å; Q41-M45 HydrophobicContact CG-SD 4.24Å; Q41-M45 VanDerWaalsContact O-CG 3.29Å; Q41-M45 WeakPolarHBondContact O-CG 3.19Å; Q41-M45 PolarHBondContact O-N 2.72Å; Q41-F52 HydrophobicContact CG-CE2 3.74Å; Q41-F52 HydrophobicContact CG-CZ 4.09Å
42S92.5Very high95.1Very high72 Ų7247.5 Ų47.550%0.50324%0.239SC..Hα-helixtrans-61.5-40.7176.5500000112.5A40 M45 Q46A40-S42 PolarHBondContact O-N 3.48Å; S42-M45 PolarHBondContact O-N 3.47Å; S42-Q46 WeakPolarHBondContact O-CG 3.31Å; S42-Q46 PolarHBondContact O-N 2.94Å; S42-Q46 VanDerWaalsContact O-N 3.17Å
43E94.5Very high94.9Very high48 Ų4847.3 Ų47.322%0.22423%0.234CC..Hα-helixtrans-65.8-40.5176-64.1178.3104.200111.4R8 Y39 A40 Q41 Q46R8-E43 IonicContact CZ-OE1 3.54Å; R8-E43 IonicContact NH1-OE1 2.81Å; R8-E43 PolarHBondContact NH1-OE1 3.31Å; R8-E43 VanDerWaalsContact NH1-OE1 3.08Å; R8-E43 IonicContact NH1-OE2 2.92Å; R8-E43 PolarHBondContact NH1-OE2 3.26Å; R8-E43 IonicContact NH2-OE1 3.62Å; R8-E43 PolarHBondContact NH2-OE1 3.25Å; Y39-E43 HydrophobicContact CD1-CB 3.87Å; A40-E43 HydrophobicContact CB-CG 4.1Å; A40-E43 PolarHBondContact N-OE2 3.08Å; A40-E43 PolarHBondContact O-N 2.83Å; A40-E43 VanDerWaalsContact O-N 3.15Å; Q41-E43 VanDerWaalsContact C-N 3.35Å; Q41-E43 PolarHBondContact O-N 2.83Å; E43-Q46 WeakPolarHBondContact O-CB 3.35Å; E43-Q46 PolarHBondContact O-N 2.94Å
44M95.3Very high94.9Very high1 Ų152.2 Ų52.21%0.00525%0.252CS..Hα-helixtrans-65.6-40.5176.3-76.9-73.4143.700112.5I11 Y39 A40 Q41 Q46 Q47 V49 F52I11-M44 HydrophobicContact CG2-CE 3.51Å; Y39-M44 VanDerWaalsContact CB-CE 3.41Å; Y39-M44 HydrophobicContact CD1-CE 3.5Å; Y39-M44 VanDerWaalsContact CD1-CE 3.5Å; Y39-M44 HydrophobicContact CD2-CE 3.19Å; Y39-M44 HydrophobicContact CE1-CE 3.95Å; Y39-M44 HydrophobicContact CE2-CE 3.67Å; Y39-M44 HydrophobicContact CG-CE 3.08Å; A40-M44 PolarHBondContact O-N 3.33Å; A40-M44 VanDerWaalsContact O-N 3.11Å; Q41-M44 PolarHBondContact O-N 3.22Å; M44-Q46 VanDerWaalsContact C-N 3.28Å; M44-Q46 PolarHBondContact O-N 2.85Å; M44-Q47 CarbonylContact O-C 3.5Å; M44-Q47 WeakPolarHBondContact O-CA 3.45Å; M44-Q47 PolarHBondContact O-N 3.1Å; M44-V49 HydrophobicContact CB-CB 4.25Å; M44-V49 WeakPolarHBondContact O-CB 3.33Å; M44-V49 PolarHBondContact O-N 2.97Å; M44-V49 VanDerWaalsContact O-N 3.13Å; M44-V49 HydrophobicContact SD-CG2 4.41Å; M44-F52 HydrophobicContact CB-CE1 3.84Å; M44-F52 HydrophobicContact CB-CZ 3.55Å; M44-F52 HydrophobicContact CG-CE1 4.01Å; M44-F52 HydrophobicContact CG-CZ 4.22Å
45M95.7Very high94.8Very high81 Ų8152.6 Ų52.640%0.39925%0.254SS..Hα-helixtrans-64.2-32.6176.3-72176.270.400112.6Q41 S42 Q47 E48 V49 Y50Q41-M45 HydrophobicContact CG-CG 4.47Å; Q41-M45 HydrophobicContact CG-SD 4.24Å; Q41-M45 VanDerWaalsContact O-CG 3.29Å; Q41-M45 WeakPolarHBondContact O-CG 3.19Å; Q41-M45 PolarHBondContact O-N 2.72Å; S42-M45 PolarHBondContact O-N 3.47Å; M45-Q47 PolarHBondContact O-N 3.29Å; M45-E48 PolarHBondContact O-N 3.19Å; M45-V49 WeakPolarHBondContact CA-O 3.27Å; M45-Y50 HydrophobicContact CB-CD1 4.35Å; M45-Y50 HydrophobicContact CB-CE1 4.32Å; M45-Y50 HydrophobicContact CE-CD1 4.17Å; M45-Y50 HydrophobicContact CG-CD1 4.23Å
46Q95Very high94.7Very high158 Ų15855.6 Ų55.674%0.73827%0.269SS*.Hα-helixtrans-65-20.4172.5-70.3168.89.200112.5S42 E43 M44 E48S42-Q46 WeakPolarHBondContact O-CG 3.31Å; S42-Q46 PolarHBondContact O-N 2.94Å; S42-Q46 VanDerWaalsContact O-N 3.17Å; E43-Q46 WeakPolarHBondContact O-CB 3.35Å; E43-Q46 PolarHBondContact O-N 2.94Å; M44-Q46 VanDerWaalsContact C-N 3.28Å; M44-Q46 PolarHBondContact O-N 2.85Å; Q46-E48 VanDerWaalsContact C-N 3.33Å
47Q93.9Very high94.4Very high61 Ų6155.6 Ų55.629%0.28528%0.275SS..THydrogen-bonded Turntrans-98.420.1174-54-174.1-3.500112.7I15 K23 M44 M45 V49I15-Q47 HydrophobicContact CG2-CB 3.73Å; K23-Q47 PolarHBondContact NZ-O 3.32Å; K23-Q47 VanDerWaalsContact NZ-O 3.09Å; M44-Q47 CarbonylContact O-C 3.5Å; M44-Q47 WeakPolarHBondContact O-CA 3.45Å; M44-Q47 PolarHBondContact O-N 3.1Å; M45-Q47 PolarHBondContact O-N 3.29Å; Q47-V49 PolarHBondContact O-N 3.02Å
48E96.3Very high93.6Very high65 Ų6565.1 Ų65.130%0.30432%0.32SS..THydrogen-bonded Turntrans64.321.3178.5-43.3167.9119.700114.3P20 G21 K23 M45 Q46 Y50P20-E48 WeakPolarHBondContact CA-OE2 2.87Å; G21-E48 VanDerWaalsContact N-CD 3.34Å; G21-E48 PolarHBondContact N-OE1 2.93Å; G21-E48 PolarHBondContact N-OE2 3.46Å; G21-E48 VanDerWaalsContact O-CB 3.28Å; G21-E48 WeakPolarHBondContact O-CB 3.33Å; K23-E48 PolarHBondContact N-O 3.22Å; K23-E48 IonicContact NZ-OE2 2.73Å; K23-E48 PolarHBondContact NZ-OE2 3.34Å; M45-E48 PolarHBondContact O-N 3.19Å; Q46-E48 VanDerWaalsContact C-N 3.33Å; E48-Y50 HydrophobicContact CB-CE2 3.85Å; E48-Y50 WeakPolarHBondContact O-CD2 3.43Å; E48-Y50 WeakPolarHBondContact O-CE2 3.33Å
49V97Very high92.7Very high0 Ų070.8 Ų70.80%035%0.354CS..EExtended strand (participates in β ladder)trans-90.9101.2170.1-176.30000108.5I15 K23 L25 M44 M45 Q47 F52I15-V49 HydrophobicContact CD1-CG2 3.6Å; I15-V49 HydrophobicContact CG1-CG2 4.18Å; I15-V49 HydrophobicContact CG2-CG2 4.12Å; K23-V49 HydrophobicContact CB-CG2 4.19Å; K23-V49 HydrophobicContact CD-CG2 4.15Å; L25-V49 HydrophobicContact CB-CG1 3.61Å; M44-V49 HydrophobicContact CB-CB 4.25Å; M44-V49 WeakPolarHBondContact O-CB 3.33Å; M44-V49 PolarHBondContact O-N 2.97Å; M44-V49 VanDerWaalsContact O-N 3.13Å; M44-V49 HydrophobicContact SD-CG2 4.41Å; M45-V49 WeakPolarHBondContact CA-O 3.27Å; Q47-V49 PolarHBondContact O-N 3.02Å; V49-F52 HydrophobicContact CB-CZ 4.48Å; V49-F52 HydrophobicContact CG1-CD1 4.37Å; V49-F52 HydrophobicContact CG1-CE1 3.74Å; V49-F52 HydrophobicContact CG1-CZ 3.86Å
50Y94.4Very high91.9Very high115 Ų11578.4 Ų78.445%0.45139%0.388SS..EExtended strand (participates in β ladder)trans-104-20-173.3-60.2-65.7000113.7M22 K23 M45 E48M22-Y50 HydrophobicContact CB-CD2 4.2Å; M22-Y50 HydrophobicContact CB-CE2 4.41Å; M22-Y50 HydrophobicContact CG-CD2 4.05Å; M22-Y50 HydrophobicContact CG-CE2 3.93Å; K23-Y50 PolarHBondContact O-N 3.01Å; K23-Y50 VanDerWaalsContact O-N 3.17Å; M45-Y50 HydrophobicContact CB-CD1 4.35Å; M45-Y50 HydrophobicContact CB-CE1 4.32Å; M45-Y50 HydrophobicContact CE-CD1 4.17Å; M45-Y50 HydrophobicContact CG-CD1 4.23Å; E48-Y50 HydrophobicContact CB-CE2 3.85Å; E48-Y50 WeakPolarHBondContact O-CD2 3.43Å; E48-Y50 WeakPolarHBondContact O-CE2 3.33Å
51L93.7Very high91.6Very high68 Ų6879.4 Ų79.436%0.35639%0.388SS..EExtended strand (participates in β ladder)trans-125.4131.1-176.6-168.866.8000110.1V24 L25 Q53V24-L51 CarbonylContact C-O 3.59Å; V24-L51 WeakPolarHBondContact CA-O 3.48Å; V24-L51 HydrophobicContact CB-CB 4.3Å; V24-L51 HydrophobicContact CB-CD2 4.44Å; V24-L51 HydrophobicContact CG1-CB 4.04Å; V24-L51 HydrophobicContact CG1-CD2 3.92Å; V24-L51 HydrophobicContact CG1-CG 4.06Å; V24-L51 HydrophobicContact CG2-CB 3.94Å; V24-L51 HydrophobicContact CG2-CD2 3.72Å; V24-L51 HydrophobicContact CG2-CG 4.35Å; L25-L51 PolarHBondContact N-O 2.81Å; L51-Q53 HydrophobicContact CD2-CG 4.22Å; L51-Q53 VanDerWaalsContact CD2-NE2 3.33Å; L51-Q53 HydrophobicContact CG-CG 4Å
52F94.5Very high91.4Very high66 Ų6679 Ų7929%0.28939%0.39SS..EExtended strand (participates in β ladder)trans-118.6123.1178.9-55.9-93.7000107.7L25 M27 Q41 M44 V49L25-F52 HydrophobicContact CB-CD1 4.21Å; L25-F52 HydrophobicContact CD2-CD1 4.1Å; L25-F52 HydrophobicContact CD2-CE1 4.18Å; L25-F52 WeakPolarHBondContact O-CA 3.35Å; M27-F52 HydrophobicContact CE-CB 4.37Å; M27-F52 HydrophobicContact CE-CD1 4.23Å; Q41-F52 HydrophobicContact CG-CE2 3.74Å; Q41-F52 HydrophobicContact CG-CZ 4.09Å; M44-F52 HydrophobicContact CB-CE1 3.84Å; M44-F52 HydrophobicContact CB-CZ 3.55Å; M44-F52 HydrophobicContact CG-CE1 4.01Å; M44-F52 HydrophobicContact CG-CZ 4.22Å; V49-F52 HydrophobicContact CB-CZ 4.48Å; V49-F52 HydrophobicContact CG1-CD1 4.37Å; V49-F52 HydrophobicContact CG1-CE1 3.74Å; V49-F52 HydrophobicContact CG1-CZ 3.86Å
53Q94.9Very high91.2Very high40 Ų4079.8 Ų79.819%0.18739%0.393CS..EExtended strand (participates in β ladder)trans-133.4156.2-176.3-66.3-165.9-11.600111.8V24 L25 L26 M27 L51 Y92V24-Q53 HydrophobicContact CG1-CB 4.5Å; V24-Q53 HydrophobicContact CG1-CG 4.16Å; L25-Q53 PolarHBondContact O-N 2.98Å; L26-Q53 HydrophobicContact CD1-CB 3.75Å; M27-Q53 PolarHBondContact N-O 3.32Å; L51-Q53 HydrophobicContact CD2-CG 4.22Å; L51-Q53 VanDerWaalsContact CD2-NE2 3.33Å; L51-Q53 HydrophobicContact CG-CG 4Å; Q53-Y92 PolarHBondContact OE1-OH 3.39Å
54R95.5Very high91.1Very high108 Ų10879.4 Ų79.441%0.40839%0.394SS..EExtended strand (participates in β ladder)trans-100.2129.3171-80.9-175.965.9165.3-4110.4M27 D56 G57M27-R54 CarbonylContact O-C 3.57Å; M27-R54 WeakPolarHBondContact O-CA 3.38Å; R54-D56 WeakPolarHBondContact CB-OD1 3.35Å; R54-D56 IonicContact CZ-OD1 3.49Å; R54-D56 IonicContact CZ-OD2 2.84Å; R54-D56 IonicContact NE-OD1 2.67Å; R54-D56 PolarHBondContact NE-OD1 3.41Å; R54-D56 IonicContact NE-OD2 2.86Å; R54-D56 VanDerWaalsContact NH2-CG 3.32Å; R54-D56 IonicContact NH2-OD1 2.75Å; R54-D56 PolarHBondContact NH2-OD1 3.12Å; R54-D56 IonicContact NH2-OD2 3.31Å; R54-D56 PolarHBondContact NH2-OD2 3.13Å; R54-D56 PolarHBondContact O-N 2.69Å; R54-G57 WeakPolarHBondContact O-CA 3.29Å; R54-G57 PolarHBondContact O-N 3.49Å
55I96.1Very high91Very high10 Ų1084.3 Ų84.35%0.05142%0.415CS..THydrogen-bonded Turntrans-67.6-28.6177.3-160176.3000111.9L26 M27 D28 G57 V73 L82 V83L26-I55 HydrophobicContact CD1-CB 4.1Å; L26-I55 HydrophobicContact CD1-CG1 4.49Å; L26-I55 HydrophobicContact CD2-CB 4.42Å; L26-I55 HydrophobicContact CD2-CD1 4.29Å; L26-I55 HydrophobicContact CD2-CG1 4.07Å; L26-I55 HydrophobicContact CG-CB 4.03Å; L26-I55 HydrophobicContact CG-CG1 4.25Å; M27-I55 PolarHBondContact O-N 3.49Å; D28-I55 HydrophobicContact CB-CG2 4.11Å; I55-G57 VanDerWaalsContact C-N 3.27Å; I55-V73 HydrophobicContact CD1-CG1 4.27Å; I55-V73 HydrophobicContact CG2-CG1 4.07Å; I55-L82 HydrophobicContact CD1-CB 3.88Å; I55-L82 HydrophobicContact CG1-CB 3.96Å; I55-L82 HydrophobicContact CG2-CD1 4.07Å; I55-V83 HydrophobicContact CD1-CB 4.29Å; I55-V83 HydrophobicContact CD1-CG2 3.42Å; I55-V83 VanDerWaalsContact CD1-CG2 3.42Å
56D93.6Very high90.8Very high69 Ų6986.9 Ų86.937%0.36943%0.426SS..THydrogen-bonded Turntrans-89.611.1171.367.9-26000112.8R54 L82R54-D56 WeakPolarHBondContact CB-OD1 3.35Å; R54-D56 IonicContact CZ-OD1 3.49Å; R54-D56 IonicContact CZ-OD2 2.84Å; R54-D56 IonicContact NE-OD1 2.67Å; R54-D56 PolarHBondContact NE-OD1 3.41Å; R54-D56 IonicContact NE-OD2 2.86Å; R54-D56 VanDerWaalsContact NH2-CG 3.32Å; R54-D56 IonicContact NH2-OD1 2.75Å; R54-D56 PolarHBondContact NH2-OD1 3.12Å; R54-D56 IonicContact NH2-OD2 3.31Å; R54-D56 PolarHBondContact NH2-OD2 3.13Å; R54-D56 PolarHBondContact O-N 2.69Å; D56-L82 HydrophobicContact CB-CD1 3.98Å
57G89.7Confident90.9Very high35 Ų3580.4 Ų80.436%0.36140%0.396SS..  trans-72.6138.3178.100000112.5R54 I55 V59R54-G57 WeakPolarHBondContact O-CA 3.29Å; R54-G57 PolarHBondContact O-N 3.49Å; I55-G57 VanDerWaalsContact C-N 3.27Å; G57-V59 VanDerWaalsContact C-N 3.34Å
58Q78.2Confident91Very high200 Ų20079.3 Ų79.394%0.93539%0.39SS*.  trans-86.2-3.2178.9-63.9-173.6-23.600114K60Q58-K60 PolarHBondContact O-N 2.92Å
59V78.1Confident91.1Very high121 Ų12176.2 Ų76.273%0.73338%0.376SS*.SBendtrans-70.8126.6-176.5-177.90000109.3G57 R61G57-V59 VanDerWaalsContact C-N 3.34Å; V59-R61 PolarHBondContact O-N 3.38Å
60K77.9Confident91.2Very high184 Ų18476.2 Ų76.280%0.838%0.376SS*.PPolyproline II helixtrans-61.9123.9174.5-169.3179.4178.8-174.60109Q58Q58-K60 PolarHBondContact O-N 2.92Å
61R85Confident91.4Very high39 Ų3970.9 Ų70.915%0.14736%0.355CS..PPolyproline II helixtrans-99.6143.3177.5-65.6173.8-73.8155-1.2108.8V59 E86 Y91V59-R61 PolarHBondContact O-N 3.38Å; R61-E86 IonicContact CZ-OE2 2.9Å; R61-E86 IonicContact NH1-OE1 2.72Å; R61-E86 PolarHBondContact NH1-OE1 3.22Å; R61-E86 IonicContact NH1-OE2 3.51Å; R61-E86 PolarHBondContact NH1-OE2 2.94Å; R61-E86 IonicContact NH2-OE2 2.62Å; R61-E86 PolarHBondContact NH2-OE2 3.26Å; R61-Y91 HydrophobicContact CB-CD1 3.84Å; R61-Y91 HydrophobicContact CB-CD2 4.5Å; R61-Y91 HydrophobicContact CB-CE1 3.84Å; R61-Y91 HydrophobicContact CB-CE2 4.47Å; R61-Y91 HydrophobicContact CB-CG 4.19Å; R61-Y91 WeakPolarHBondContact O-CE1 3.35Å
62D86.7Confident91.6Very high119 Ų11967.6 Ų67.664%0.63634%0.338SS*.PPolyproline II helixtrans-94.1144.1169.8-66.3-48.7000109.3V64D62-V64 VanDerWaalsContact O-CG2 3.3Å; D62-V64 WeakPolarHBondContact O-CG2 3.25Å; D62-V64 PolarHBondContact O-N 2.85Å
63P89.5Confident91.8Very high87 Ų8764.5 Ų64.557%0.56532%0.324SS*.PPolyproline II helixtrans-62.4121.7176.5-23.734.3000111.7Y91P63-Y91 CarbonylContact C-O 3.59Å; P63-Y91 WeakPolarHBondContact CA-O 3.22Å; P63-Y91 HydrophobicContact CG-CD1 4.21Å
64V92.8Very high91.9Very high41 Ų4163.8 Ų63.825%0.24832%0.32CS..EExtended strand (participates in β ladder)trans-122.873.8178.7-161.50000109.6D62 H66 L67 Y91D62-V64 VanDerWaalsContact O-CG2 3.3Å; D62-V64 WeakPolarHBondContact O-CG2 3.25Å; D62-V64 PolarHBondContact O-N 2.85Å; V64-H66 WeakPolarHBondContact CG1-CE1 3.02Å; V64-H66 WeakPolarHBondContact CG1-NE2 3.24Å; V64-H66 PolarHBondContact O-N 3.38Å; V64-H66 VanDerWaalsContact O-N 3.09Å; V64-L67 HydrophobicContact CB-CD1 4.02Å; V64-L67 HydrophobicContact CB-CG 4.27Å; V64-L67 HydrophobicContact CG1-CB 4.5Å; V64-L67 HydrophobicContact CG1-CD1 3.65Å; V64-L67 HydrophobicContact CG1-CG 3.68Å; V64-L67 PolarHBondContact O-N 3.4Å; V64-Y91 CarbonylContact C-O 3.47Å; V64-Y91 PolarHBondContact N-O 3.47Å
65K92.5Very high92Very high104 Ų10460 Ų6045%0.45231%0.312SS..EExtended strand (participates in β ladder)trans-64.6-14.6-170.6-63.3-64.4-177.7172.20115.7L67 P90 Y92 G93K65-L67 VanDerWaalsContact C-N 3.34Å; K65-P90 WeakPolarHBondContact CE-O 3.33Å; K65-P90 PolarHBondContact NZ-O 3Å; K65-Y92 PolarHBondContact NZ-O 3.43Å; K65-G93 WeakPolarHBondContact O-CA 3.34Å; K65-G93 PolarHBondContact O-N 3.15Å
66H92.3Very high92Very high134 Ų13460.7 Ų60.762%0.6232%0.317SS*.EExtended strand (participates in β ladder)trans-83.6-9.817664-97.8000113.4V64V64-H66 WeakPolarHBondContact CG1-CE1 3.02Å; V64-H66 WeakPolarHBondContact CG1-NE2 3.24Å; V64-H66 PolarHBondContact O-N 3.38Å; V64-H66 VanDerWaalsContact O-N 3.09Å
67L95.7Very high92.1Very high22 Ų2261.6 Ų61.612%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-91.6150.6176.7-62.5-178.9000111.6M22 V24 V64 K65 Y92 G93M22-L67 HydrophobicContact CB-CD2 3.29Å; M22-L67 HydrophobicContact CE-CD2 4.21Å; M22-L67 HydrophobicContact CG-CD2 4.36Å; M22-L67 HydrophobicContact SD-CD2 4.28Å; V24-L67 HydrophobicContact CG2-CB 4.12Å; V24-L67 HydrophobicContact CG2-CD1 3.58Å; V24-L67 HydrophobicContact CG2-CG 4.44Å; V64-L67 HydrophobicContact CB-CD1 4.02Å; V64-L67 HydrophobicContact CB-CG 4.27Å; V64-L67 HydrophobicContact CG1-CB 4.5Å; V64-L67 HydrophobicContact CG1-CD1 3.65Å; V64-L67 HydrophobicContact CG1-CG 3.68Å; V64-L67 PolarHBondContact O-N 3.4Å; K65-L67 VanDerWaalsContact C-N 3.34Å; L67-Y92 HydrophobicContact CB-CD1 4.08Å; L67-G93 PolarHBondContact O-N 2.89Å; L67-G93 VanDerWaalsContact O-N 3.1Å
68K97.5Very high92.4Very high39 Ų3965.9 Ų65.917%0.1734%0.337CS..EExtended strand (participates in β ladder)trans-93.8137.9167.9-59.9178.3175.1177.40109.7S18 P20 M22 K23 V24 Q94 F96S18-K68 VanDerWaalsContact O-CD 3.3Å; S18-K68 WeakPolarHBondContact O-CD 3.31Å; S18-K68 PolarHBondContact O-NZ 3.41Å; P20-K68 PolarHBondContact O-NZ 3.38Å; M22-K68 PolarHBondContact O-N 2.86Å; M22-K68 VanDerWaalsContact O-N 3.17Å; K23-K68 CarbonylContact C-O 3.49Å; K23-K68 VanDerWaalsContact CA-O 3.31Å; K23-K68 WeakPolarHBondContact CA-O 3.03Å; K23-K68 HydrophobicContact CG-CB 4.45Å; V24-K68 PolarHBondContact N-O 3.15Å; K68-Q94 HydrophobicContact CG-CB 4.36Å; K68-F96 HydrophobicContact CB-CE2 4.38Å; K68-F96 HydrophobicContact CD-CE2 4.2Å; K68-F96 HydrophobicContact CG-CE2 4.49Å
69C97.9Very high93.3Very high0 Ų057 Ų570%030%0.296CS..EExtended strand (participates in β ladder)trans-100.3119.8173.4-171.70000109.8Y92 Q94 Y95 F96C69-Y92 HydrophobicContact CB-CD2 3.4Å; C69-Y92 VanDerWaalsContact CB-CD2 3.4Å; C69-Y92 HydrophobicContact CB-CE2 4.2Å; C69-Y92 HydrophobicContact CB-CG 3.82Å; C69-Q94 PolarHBondContact N-O 3.5Å; C69-Y95 HydrophobicContact CB-CD1 3.55Å; C69-Y95 HydrophobicContact CB-CD2 4.47Å; C69-Y95 HydrophobicContact CB-CE1 3.65Å; C69-Y95 HydrophobicContact CB-CG 3.99Å; C69-Y95 CarbonylContact O-C 3.59Å; C69-Y95 WeakPolarHBondContact O-CA 3.38Å; C69-Y95 VanDerWaalsContact SG-CE1 3.6Å; C69-F96 PolarHBondContact O-N 2.92Å
70V98.4Very high94.3Very high0 Ų051.3 Ų51.30%026%0.262CS..EExtended strand (participates in β ladder)trans-98102.7164.6-178.60000106.2M14 I15 K23 V24 L25 L26 F96 F98M14-V70 HydrophobicContact CB-CG1 4.28Å; M14-V70 HydrophobicContact CE-CG1 3.91Å; I15-V70 HydrophobicContact CD1-CB 4.45Å; I15-V70 HydrophobicContact CD1-CG1 4.16Å; I15-V70 HydrophobicContact CD1-CG2 4.26Å; K23-V70 HydrophobicContact CD-CG2 4.4Å; V24-V70 PolarHBondContact O-N 3.25Å; L25-V70 CarbonylContact C-O 3.5Å; L25-V70 WeakPolarHBondContact CA-O 3.35Å; L25-V70 HydrophobicContact CD1-CB 4.13Å; L25-V70 HydrophobicContact CD1-CG1 3.92Å; L25-V70 WeakPolarHBondContact CD1-O 3.37Å; L26-V70 PolarHBondContact N-O 3.46Å; V70-F96 CarbonylContact C-O 3.59Å; V70-F98 HydrophobicContact CG1-CD2 3.91Å; V70-F98 HydrophobicContact CG1-CE2 3.9Å
71A98.3Very high95.2Very high2 Ų245.2 Ų45.22%0.01725%0.245CC..EExtended strand (participates in β ladder)trans-88.6124.8175.800000109.1L26 F96 V97 F98L26-A71 HydrophobicContact CB-CB 4.44Å; L26-A71 CarbonylContact O-C 3.55Å; L26-A71 VanDerWaalsContact O-CA 3.26Å; L26-A71 WeakPolarHBondContact O-CA 3.44Å; A71-F96 PolarHBondContact N-O 2.97Å; A71-V97 HydrophobicContact CB-CG1 4.4Å; A71-V97 HydrophobicContact CB-CG2 4.38Å; A71-F98 PolarHBondContact O-N 3.11Å
72F98.6Very high95.8Very high0 Ų045.7 Ų45.70%025%0.25CS..EExtended strand (participates in β ladder)trans-124.1104.5174.1-173.5-146000109.9M14 L25 L26 M27 T31 I34 V35 F98 L126 A128M14-F72 HydrophobicContact CE-CB 3.35Å; M14-F72 HydrophobicContact CE-CD1 4.16Å; M14-F72 HydrophobicContact CE-CD2 3.63Å; M14-F72 HydrophobicContact CE-CG 3.43Å; M14-F72 VanDerWaalsContact CE-CG 3.43Å; M14-F72 HydrophobicContact SD-CD1 4.44Å; M14-F72 HydrophobicContact SD-CD2 4.05Å; M14-F72 HydrophobicContact SD-CE2 4.39Å; M14-F72 HydrophobicContact SD-CG 4.11Å; L25-F72 HydrophobicContact CD1-CB 4.37Å; L26-F72 PolarHBondContact O-N 3.43Å; M27-F72 WeakPolarHBondContact CA-O 3.36Å; M27-F72 HydrophobicContact CG-CB 4.31Å; T31-F72 VanDerWaalsContact CB-O 3.29Å; T31-F72 WeakPolarHBondContact CB-O 3.28Å; T31-F72 HydrophobicContact CG2-CD1 3.96Å; T31-F72 HydrophobicContact CG2-CD2 4.27Å; T31-F72 HydrophobicContact CG2-CE1 3.91Å; T31-F72 HydrophobicContact CG2-CE2 4.23Å; T31-F72 HydrophobicContact CG2-CG 4.12Å; T31-F72 HydrophobicContact CG2-CZ 4.04Å; T31-F72 WeakPolarHBondContact CG2-O 3.26Å; T31-F72 PolarHBondContact OG1-O 3.02Å; I34-F72 HydrophobicContact CG2-CE1 4.4Å; V35-F72 HydrophobicContact CG2-CD1 3.8Å; V35-F72 HydrophobicContact CG2-CE1 4.08Å; F72-F98 WeakPolarHBondContact CA-O 3.31Å; F72-F98 HydrophobicContact CD2-CB 4.15Å; F72-L126 HydrophobicContact CE2-CD1 4.35Å; F72-A128 HydrophobicContact CZ-CB 3.93Å
73V98.6Very high96.4Very high0 Ų040.1 Ų40.10%022%0.221CC..EExtended strand (participates in β ladder)trans-135.3159.5-174.5-62.80000110.7D28 I55 N79 V83 F98 F99 S100D28-V73 HydrophobicContact CB-CG1 4.34Å; D28-V73 WeakPolarHBondContact OD2-CA 3.49Å; I55-V73 HydrophobicContact CD1-CG1 4.27Å; I55-V73 HydrophobicContact CG2-CG1 4.07Å; V73-N79 HydrophobicContact CB-CB 4.23Å; V73-N79 HydrophobicContact CG2-CB 4.33Å; V73-V83 HydrophobicContact CG2-CG2 4.08Å; V73-F98 PolarHBondContact N-O 3.21Å; V73-F99 HydrophobicContact CG2-CD1 3.81Å; V73-F99 HydrophobicContact CG2-CE1 3.58Å; V73-F99 HydrophobicContact CG2-CZ 4.4Å; V73-F99 CarbonylContact O-C 3.56Å; V73-F99 WeakPolarHBondContact O-CA 3.43Å; V73-S100 PolarHBondContact O-N 3.18Å
74R97.8Very high96.8Very high26 Ų2636.6 Ų36.610%0.09820%0.198CC..  trans-73.4149168.8-58.5-171.565.8-124.3-14.1110.8D28 E30 T31 T76 N79 S100 D129D28-R74 PolarHBondContact OD2-N 2.84Å; E30-R74 VanDerWaalsContact CB-CD 3.47Å; E30-R74 HydrophobicContact CB-CG 4.13Å; E30-R74 VanDerWaalsContact CD-NH1 3.34Å; E30-R74 WeakPolarHBondContact OE1-CD 2.85Å; E30-R74 IonicContact OE1-CZ 3.82Å; E30-R74 IonicContact OE1-NE 2.67Å; E30-R74 IonicContact OE1-NH1 3.7Å; E30-R74 PolarHBondContact OE1-NH1 2.92Å; E30-R74 VanDerWaalsContact OE1-NH1 3.13Å; E30-R74 WeakPolarHBondContact OE2-CD 3.4Å; E30-R74 IonicContact OE2-CZ 3.08Å; E30-R74 IonicContact OE2-NE 3.16Å; E30-R74 IonicContact OE2-NH1 3.17Å; E30-R74 PolarHBondContact OE2-NH1 3.13Å; T31-R74 HydrophobicContact CG2-CG 4.06Å; R74-T76 HydrophobicContact CB-CG2 4.03Å; R74-T76 PolarHBondContact O-N 3.41Å; R74-N79 PolarHBondContact N-ND2 2.81Å; R74-N79 VanDerWaalsContact O-CB 3.24Å; R74-N79 WeakPolarHBondContact O-CB 3.35Å; R74-N79 PolarHBondContact O-ND2 3.09Å; R74-S100 WeakPolarHBondContact CA-OG 3.44Å; R74-S100 WeakPolarHBondContact CG-OG 3.31Å; R74-D129 WeakPolarHBondContact CD-OD1 3.33Å; R74-D129 IonicContact CZ-OD1 3.26Å; R74-D129 IonicContact CZ-OD2 3.01Å; R74-D129 IonicContact NE-OD1 2.84Å; R74-D129 PolarHBondContact NE-OD1 3.3Å; R74-D129 IonicContact NE-OD2 2.57Å; R74-D129 IonicContact NH2-OD1 3.91Å; R74-D129 IonicContact NH2-OD2 3.78Å; R74-D129 PolarHBondContact NH2-OD2 3.11Å
75A96Very high96.9Very high29 Ų2941.2 Ų41.224%0.2422%0.216CC..SBendtrans-76.466.1175.300000111.6F99 V102 I103A75-F99 HydrophobicContact CB-CB 4.23Å; A75-F99 HydrophobicContact CB-CD1 3.96Å; A75-F99 HydrophobicContact CB-CG 4.33Å; A75-V102 WeakPolarHBondContact CB-O 3.28Å; A75-I103 HydrophobicContact CB-CB 4.01Å; A75-I103 HydrophobicContact CB-CG1 4.42Å
76T96Very high97Very high23 Ų2336.6 Ų36.614%0.14120%0.197CC..  trans-109.5151.517475.80000110.7R74 E78 N79 V80R74-T76 HydrophobicContact CB-CG2 4.03Å; R74-T76 PolarHBondContact O-N 3.41Å; T76-E78 VanDerWaalsContact CB-OE2 3.23Å; T76-E78 WeakPolarHBondContact CB-OE2 3.47Å; T76-E78 PolarHBondContact O-N 2.7Å; T76-E78 PolarHBondContact OG1-OE2 2.88Å; T76-E78 VanDerWaalsContact OG1-OE2 3.09Å; T76-N79 PolarHBondContact O-N 3.06Å; T76-N79 VanDerWaalsContact O-N 3.13Å; T76-N79 PolarHBondContact OG1-N 2.95Å; T76-N79 PolarHBondContact OG1-ND2 3.12Å; T76-V80 VanDerWaalsContact O-CG2 3.3Å; T76-V80 WeakPolarHBondContact O-CG2 3.44Å; T76-V80 PolarHBondContact O-N 3.29Å
77P95.9Very high97.3Very high88 Ų8830.2 Ų30.257%0.57117%0.167SC*.Hα-helixtrans-54.2-36.1176.4-26.535.7000113V80 A81P77-V80 PolarHBondContact O-N 3.27Å; P77-A81 WeakPolarHBondContact O-CB 3.32Å; P77-A81 PolarHBondContact O-N 2.97Å
78E96.7Very high97.3Very high126 Ų12636.6 Ų36.659%0.58919%0.19SC*.Hα-helixtrans-65.8-46.9178.6-58.173.3-156.800111.2T76 A81 L82T76-E78 VanDerWaalsContact CB-OE2 3.23Å; T76-E78 WeakPolarHBondContact CB-OE2 3.47Å; T76-E78 PolarHBondContact O-N 2.7Å; T76-E78 PolarHBondContact OG1-OE2 2.88Å; T76-E78 VanDerWaalsContact OG1-OE2 3.09Å; E78-A81 PolarHBondContact O-N 3.3Å; E78-L82 WeakPolarHBondContact O-CG 3.43Å; E78-L82 PolarHBondContact O-N 3.16Å
79N97.8Very high97.1Very high13 Ų1339.5 Ų39.57%0.0721%0.207CC..Hα-helixtrans-67.1-38.7177.4-77.1-21.4000111.9D28 V73 R74 T76 A81 L82 V83D28-N79 PolarHBondContact OD2-ND2 3.11Å; V73-N79 HydrophobicContact CB-CB 4.23Å; V73-N79 HydrophobicContact CG2-CB 4.33Å; R74-N79 PolarHBondContact N-ND2 2.81Å; R74-N79 VanDerWaalsContact O-CB 3.24Å; R74-N79 WeakPolarHBondContact O-CB 3.35Å; R74-N79 PolarHBondContact O-ND2 3.09Å; T76-N79 PolarHBondContact O-N 3.06Å; T76-N79 VanDerWaalsContact O-N 3.13Å; T76-N79 PolarHBondContact OG1-N 2.95Å; T76-N79 PolarHBondContact OG1-ND2 3.12Å; N79-A81 VanDerWaalsContact C-N 3.31Å; N79-A81 PolarHBondContact O-N 3.11Å; N79-L82 PolarHBondContact O-N 3.18Å; N79-V83 WeakPolarHBondContact O-CG2 3.37Å; N79-V83 PolarHBondContact O-N 3.02Å
80V98.2Very high96.9Very high2 Ų239.6 Ų39.61%0.01221%0.208CC..Hα-helixtrans-59.1-45.8174.9171.50000110T76 P77 L82 V83 V84 F99 I103 D107 L111T76-V80 VanDerWaalsContact O-CG2 3.3Å; T76-V80 WeakPolarHBondContact O-CG2 3.44Å; T76-V80 PolarHBondContact O-N 3.29Å; P77-V80 PolarHBondContact O-N 3.27Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.05Å; V80-V83 PolarHBondContact O-N 2.64Å; V80-V84 HydrophobicContact CG1-CG2 4.47Å; V80-V84 WeakPolarHBondContact O-CB 3.45Å; V80-V84 VanDerWaalsContact O-CG2 3.32Å; V80-V84 WeakPolarHBondContact O-CG2 3.47Å; V80-V84 PolarHBondContact O-N 3.4Å; V80-F99 HydrophobicContact CG2-CE1 4.36Å; V80-I103 HydrophobicContact CG2-CD1 4.05Å; V80-D107 HydrophobicContact CB-CB 4.5Å; V80-D107 HydrophobicContact CG1-CB 3.94Å; V80-D107 HydrophobicContact CG2-CB 3.85Å; V80-L111 HydrophobicContact CG1-CD2 4.49Å; V80-L111 HydrophobicContact CG1-CG 4.5Å
81A97.9Very high96.8Very high56 Ų5641.9 Ų41.946%0.46322%0.217SC..Hα-helixtrans-61.1-40.1176.400000112.7P77 E78 N79 V84 Q85P77-A81 WeakPolarHBondContact O-CB 3.32Å; P77-A81 PolarHBondContact O-N 2.97Å; E78-A81 PolarHBondContact O-N 3.3Å; N79-A81 VanDerWaalsContact C-N 3.31Å; N79-A81 PolarHBondContact O-N 3.11Å; A81-V84 PolarHBondContact O-N 3.36Å; A81-Q85 PolarHBondContact O-N 3.39Å
82L97.4Very high96.7Very high48 Ų4841.9 Ų41.925%0.25122%0.216SC..Hα-helixtrans-66.9-40.8176.4-69.7172.4000112.4I55 D56 E78 N79 V80 Q85 E86I55-L82 HydrophobicContact CD1-CB 3.88Å; I55-L82 HydrophobicContact CG1-CB 3.96Å; I55-L82 HydrophobicContact CG2-CD1 4.07Å; D56-L82 HydrophobicContact CB-CD1 3.98Å; E78-L82 WeakPolarHBondContact O-CG 3.43Å; E78-L82 PolarHBondContact O-N 3.16Å; N79-L82 PolarHBondContact O-N 3.18Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.05Å; L82-Q85 PolarHBondContact O-N 3.28Å; L82-E86 WeakPolarHBondContact O-CB 3.33Å; L82-E86 PolarHBondContact O-N 3.46Å
83V97.8Very high96.5Very high3 Ų343 Ų432%0.01823%0.228CC..Hα-helixtrans-67-40.4174.61800000110.6I55 V73 N79 V80 Q85 E86 L87 V97 L111I55-V83 HydrophobicContact CD1-CB 4.29Å; I55-V83 HydrophobicContact CD1-CG2 3.42Å; I55-V83 VanDerWaalsContact CD1-CG2 3.42Å; V73-V83 HydrophobicContact CG2-CG2 4.08Å; N79-V83 WeakPolarHBondContact O-CG2 3.37Å; N79-V83 PolarHBondContact O-N 3.02Å; V80-V83 PolarHBondContact O-N 2.64Å; V83-Q85 VanDerWaalsContact C-N 3.3Å; V83-Q85 PolarHBondContact O-N 3.1Å; V83-E86 WeakPolarHBondContact O-CB 3.33Å; V83-E86 PolarHBondContact O-N 2.99Å; V83-E86 VanDerWaalsContact O-N 3.16Å; V83-L87 HydrophobicContact CG1-CD1 4.02Å; V83-L87 HydrophobicContact CG1-CG 4.17Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.24Å; V83-V97 HydrophobicContact CG1-CG1 4.24Å; V83-V97 HydrophobicContact CG1-CG2 4.42Å; V83-L111 HydrophobicContact CB-CD2 3.79Å; V83-L111 HydrophobicContact CG1-CD2 3.51Å
84V98Very high96.5Very high13 Ų1346 Ų468%0.07924%0.242CC..Hα-helixtrans-56.9-44.7172.8162.40000111V80 A81 E86 L87 R88 Q110 L111 A114V80-V84 HydrophobicContact CG1-CG2 4.47Å; V80-V84 WeakPolarHBondContact O-CB 3.45Å; V80-V84 VanDerWaalsContact O-CG2 3.32Å; V80-V84 WeakPolarHBondContact O-CG2 3.47Å; V80-V84 PolarHBondContact O-N 3.4Å; A81-V84 PolarHBondContact O-N 3.36Å; V84-E86 VanDerWaalsContact C-N 3.34Å; V84-L87 PolarHBondContact O-N 3.44Å; V84-R88 WeakPolarHBondContact O-CG 3.44Å; V84-R88 PolarHBondContact O-N 3.03Å; V84-Q110 HydrophobicContact CG2-CB 4.25Å; V84-L111 HydrophobicContact CG2-CD2 3.88Å; V84-A114 HydrophobicContact CB-CB 4.18Å; V84-A114 HydrophobicContact CG1-CB 3.84Å; V84-A114 HydrophobicContact CG2-CB 4.12Å
85Q95.7Very high96.5Very high137 Ų13744.9 Ų44.964%0.6424%0.237SC*.Hα-helixtrans-63.6-40.9176.8-177179.4-1.900112.1A81 L82 V83 N89A81-Q85 PolarHBondContact O-N 3.39Å; L82-Q85 PolarHBondContact O-N 3.28Å; V83-Q85 VanDerWaalsContact C-N 3.3Å; V83-Q85 PolarHBondContact O-N 3.1Å; Q85-N89 PolarHBondContact O-N 3.47Å
86E95.4Very high96.6Very high8 Ų844.3 Ų44.34%0.03723%0.23CC..Hα-helixtrans-61.1-45.4175.6-178.872.6-168.400111.6L26 R61 L82 V83 V84 N89 P90 Y95L26-E86 HydrophobicContact CD2-CG 4.25Å; R61-E86 IonicContact CZ-OE2 2.9Å; R61-E86 IonicContact NH1-OE1 2.72Å; R61-E86 PolarHBondContact NH1-OE1 3.22Å; R61-E86 IonicContact NH1-OE2 3.51Å; R61-E86 PolarHBondContact NH1-OE2 2.94Å; R61-E86 IonicContact NH2-OE2 2.62Å; R61-E86 PolarHBondContact NH2-OE2 3.26Å; L82-E86 WeakPolarHBondContact O-CB 3.33Å; L82-E86 PolarHBondContact O-N 3.46Å; V83-E86 WeakPolarHBondContact O-CB 3.33Å; V83-E86 PolarHBondContact O-N 2.99Å; V83-E86 VanDerWaalsContact O-N 3.16Å; V84-E86 VanDerWaalsContact C-N 3.34Å; E86-N89 CarbonylContact O-C 3.38Å; E86-N89 PolarHBondContact O-N 3.43Å; E86-P90 WeakPolarHBondContact O-CA 3.36Å; E86-Y95 HydrophobicContact CG-CD1 4.35Å; E86-Y95 HydrophobicContact CG-CE1 3.39Å; E86-Y95 WeakPolarHBondContact OE1-CE1 3.42Å; E86-Y95 PolarHBondContact OE1-OH 3.37Å
87L96.9Very high96.7Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-72.1-31.5-177.6-66.3179.1000113.3V83 V84 N89 P90 Y95 L111 A114 V119 V120V83-L87 HydrophobicContact CG1-CD1 4.02Å; V83-L87 HydrophobicContact CG1-CG 4.17Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.24Å; V84-L87 PolarHBondContact O-N 3.44Å; L87-N89 PolarHBondContact O-N 2.95Å; L87-P90 WeakPolarHBondContact O-CD 3.25Å; L87-Y95 HydrophobicContact CD2-CD1 4.12Å; L87-Y95 HydrophobicContact CD2-CD2 4.23Å; L87-Y95 HydrophobicContact CD2-CG 3.9Å; L87-L111 HydrophobicContact CD1-CD2 4.3Å; L87-A114 CarbonylContact C-O 3.59Å; L87-A114 HydrophobicContact CB-CB 4.21Å; L87-V119 HydrophobicContact CD2-CG2 4.15Å; L87-V120 HydrophobicContact CD1-CG2 3.72Å; L87-V120 HydrophobicContact CD2-CG2 3.54Å; L87-V120 HydrophobicContact CG-CG2 4.27Å
88R95.8Very high96.9Very high156 Ų15639 Ų3959%0.58920%0.196SC*.Hα-helixtrans-67.7-21.8173.8-77.6177176.6168.72113.9V84 A114 F117V84-R88 WeakPolarHBondContact O-CG 3.44Å; V84-R88 PolarHBondContact O-N 3.03Å; R88-A114 HydrophobicContact CG-CB 4.14Å; R88-A114 PolarHBondContact N-O 2.94Å; R88-F117 WeakPolarHBondContact O-CE2 3.21Å
89N93.3Very high96.9Very high99 Ų9933 Ų3353%0.52917%0.168SC..SBendtrans-143.272.5174.4-175.431.8000109.8Q85 E86 L87 Y91Q85-N89 PolarHBondContact O-N 3.47Å; E86-N89 CarbonylContact O-C 3.38Å; E86-N89 PolarHBondContact O-N 3.43Å; L87-N89 PolarHBondContact O-N 2.95Å; N89-Y91 PolarHBondContact O-N 2.85Å
90P95.4Very high96.9Very high3 Ų332.4 Ų32.42%0.01917%0.165CC..  trans-67.2132-167.221.5-25.1000110.6K65 E86 L87 Y95 F117 V119K65-P90 WeakPolarHBondContact CE-O 3.33Å; K65-P90 PolarHBondContact NZ-O 3Å; E86-P90 WeakPolarHBondContact O-CA 3.36Å; L87-P90 WeakPolarHBondContact O-CD 3.25Å; P90-Y95 HydrophobicContact CB-CE2 3.61Å; P90-F117 VanDerWaalsContact CD-CD2 3.44Å; P90-F117 HydrophobicContact CG-CB 3.9Å; P90-F117 HydrophobicContact CG-CD1 4.35Å; P90-F117 HydrophobicContact CG-CD2 3.69Å; P90-F117 HydrophobicContact CG-CE2 4.31Å; P90-F117 HydrophobicContact CG-CG 3.71Å; P90-V119 HydrophobicContact CB-CG1 4.44Å; P90-V119 HydrophobicContact CB-CG2 4Å; P90-V119 HydrophobicContact CG-CG1 4.25Å; P90-V119 HydrophobicContact CG-CG2 4.23Å
91Y94.5Very high96.7Very high47 Ų4733.1 Ų33.118%0.18417%0.168CC..SBendtrans-81.3-30.7172-71.7-78.7000111.9R61 P63 V64 N89 Y95R61-Y91 HydrophobicContact CB-CD1 3.84Å; R61-Y91 HydrophobicContact CB-CD2 4.5Å; R61-Y91 HydrophobicContact CB-CE1 3.84Å; R61-Y91 HydrophobicContact CB-CE2 4.47Å; R61-Y91 HydrophobicContact CB-CG 4.19Å; R61-Y91 WeakPolarHBondContact O-CE1 3.35Å; P63-Y91 CarbonylContact C-O 3.59Å; P63-Y91 WeakPolarHBondContact CA-O 3.22Å; P63-Y91 HydrophobicContact CG-CD1 4.21Å; V64-Y91 CarbonylContact C-O 3.47Å; V64-Y91 PolarHBondContact N-O 3.47Å; N89-Y91 PolarHBondContact O-N 2.85Å; Y91-Y95 PolarHBondContact N-OH 3.36Å
92Y96.3Very high96.5Very high3 Ų333.7 Ų33.71%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-106.4169.5-173.3-50.8-64.2000111.8V24 Q53 K65 L67 C69 Y95V24-Y92 HydrophobicContact CB-CE1 4.3Å; V24-Y92 HydrophobicContact CG2-CD1 4.1Å; V24-Y92 HydrophobicContact CG2-CE1 3.63Å; Q53-Y92 PolarHBondContact OE1-OH 3.39Å; K65-Y92 PolarHBondContact NZ-O 3.43Å; L67-Y92 HydrophobicContact CB-CD1 4.08Å; C69-Y92 HydrophobicContact CB-CD2 3.4Å; C69-Y92 VanDerWaalsContact CB-CD2 3.4Å; C69-Y92 HydrophobicContact CB-CE2 4.2Å; C69-Y92 HydrophobicContact CB-CG 3.82Å; Y92-Y95 AromaticContact CD2-CE1 3.86Å; Y92-Y95 HydrophobicContact CD2-CE1 3.86Å; Y92-Y95 HydrophobicContact CD2-CE2 4.35Å; Y92-Y95 AromaticContact CD2-CZ 3.58Å; Y92-Y95 WeakPolarHBondContact CD2-OH 3.22Å; Y92-Y95 PolarHBondContact N-OH 2.85Å
93G95.5Very high96.3Very high23 Ų2331.9 Ų31.924%0.23716%0.156CC..EExtended strand (participates in β ladder)trans-85.7-24.1-178.100000114.1K65 L67K65-G93 WeakPolarHBondContact O-CA 3.34Å; K65-G93 PolarHBondContact O-N 3.15Å; L67-G93 PolarHBondContact O-N 2.89Å; L67-G93 VanDerWaalsContact O-N 3.1Å
94Q97.7Very high96.2Very high64 Ų6433.9 Ų33.930%0.29917%0.17SC..EExtended strand (participates in β ladder)trans-146.7142.7-179.4-61.2179.4600109.5K68 C69 F96 V119 R121K68-Q94 HydrophobicContact CG-CB 4.36Å; C69-Q94 PolarHBondContact N-O 3.5Å; Q94-F96 HydrophobicContact CB-CE2 4.05Å; Q94-V119 CarbonylContact C-O 3.6Å; Q94-V119 WeakPolarHBondContact CA-O 3.4Å; Q94-R121 HydrophobicContact CB-CG 4.02Å; Q94-R121 HydrophobicContact CG-CG 4.21Å
95Y98.4Very high96Very high1 Ų142.2 Ų42.20%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-122.8130.6177-74.2-103.4000110.9C69 E86 L87 P90 Y91 Y92 V119 V120 R121C69-Y95 HydrophobicContact CB-CD1 3.55Å; C69-Y95 HydrophobicContact CB-CD2 4.47Å; C69-Y95 HydrophobicContact CB-CE1 3.65Å; C69-Y95 HydrophobicContact CB-CG 3.99Å; C69-Y95 CarbonylContact O-C 3.59Å; C69-Y95 WeakPolarHBondContact O-CA 3.38Å; C69-Y95 VanDerWaalsContact SG-CE1 3.6Å; E86-Y95 HydrophobicContact CG-CD1 4.35Å; E86-Y95 HydrophobicContact CG-CE1 3.39Å; E86-Y95 WeakPolarHBondContact OE1-CE1 3.42Å; E86-Y95 PolarHBondContact OE1-OH 3.37Å; L87-Y95 HydrophobicContact CD2-CD1 4.12Å; L87-Y95 HydrophobicContact CD2-CD2 4.23Å; L87-Y95 HydrophobicContact CD2-CG 3.9Å; P90-Y95 HydrophobicContact CB-CE2 3.61Å; Y91-Y95 PolarHBondContact N-OH 3.36Å; Y92-Y95 AromaticContact CD2-CE1 3.86Å; Y92-Y95 HydrophobicContact CD2-CE1 3.86Å; Y92-Y95 HydrophobicContact CD2-CE2 4.35Å; Y92-Y95 AromaticContact CD2-CZ 3.58Å; Y92-Y95 WeakPolarHBondContact CD2-OH 3.22Å; Y92-Y95 PolarHBondContact N-OH 2.85Å; Y95-V119 HydrophobicContact CD2-CB 3.97Å; Y95-V119 HydrophobicContact CD2-CG2 3.56Å; Y95-V119 HydrophobicContact CE2-CG2 4.02Å; Y95-V119 HydrophobicContact CG-CG2 4.46Å; Y95-V119 PolarHBondContact N-O 3.17Å; Y95-V120 WeakPolarHBondContact O-CA 3.46Å; Y95-R121 PolarHBondContact O-N 3.06Å
96F98.6Very high96.1Very high17 Ų1739.3 Ų39.38%0.07520%0.2CC..EExtended strand (participates in β ladder)trans-117.4106.6170.8-60.1-99.5000106.4K68 C69 V70 A71 Q94 F98 R121 E122K68-F96 HydrophobicContact CB-CE2 4.38Å; K68-F96 HydrophobicContact CD-CE2 4.2Å; K68-F96 HydrophobicContact CG-CE2 4.49Å; C69-F96 PolarHBondContact O-N 2.92Å; V70-F96 CarbonylContact C-O 3.59Å; A71-F96 PolarHBondContact N-O 2.97Å; Q94-F96 HydrophobicContact CB-CE2 4.05Å; F96-F98 HydrophobicContact CB-CD2 4.41Å; F96-F98 HydrophobicContact CB-CE2 3.59Å; F96-F98 HydrophobicContact CB-CZ 4.18Å; F96-R121 HydrophobicContact CD1-CB 4.14Å; F96-R121 HydrophobicContact CE1-CB 3.67Å; F96-R121 HydrophobicContact CE2-CB 4.33Å; F96-R121 HydrophobicContact CE2-CG 4.46Å; F96-R121 HydrophobicContact CZ-CB 3.77Å; F96-R121 HydrophobicContact CZ-CG 4.13Å; F96-E122 HydrophobicContact CB-CB 4.47Å; F96-E122 HydrophobicContact CD1-CB 3.7Å; F96-E122 HydrophobicContact CE1-CB 4.45Å; F96-E122 HydrophobicContact CG-CB 4.5Å
97V98.4Very high96.2Very high1 Ų140.2 Ų40.21%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-103.6116.4-169.7-173.30000109.9A71 V83 F99 E122 I123 A124A71-V97 HydrophobicContact CB-CG1 4.4Å; A71-V97 HydrophobicContact CB-CG2 4.38Å; V83-V97 HydrophobicContact CG1-CG1 4.24Å; V83-V97 HydrophobicContact CG1-CG2 4.42Å; V97-F99 HydrophobicContact CG1-CD2 4.46Å; V97-F99 HydrophobicContact CG1-CE2 3.72Å; V97-F99 HydrophobicContact CG1-CZ 3.84Å; V97-E122 PolarHBondContact N-O 3.12Å; V97-I123 HydrophobicContact CB-CG1 4.29Å; V97-I123 CarbonylContact O-C 3.13Å; V97-I123 VanDerWaalsContact O-CA 3.24Å; V97-I123 WeakPolarHBondContact O-CA 3.3Å; V97-A124 PolarHBondContact O-N 2.83Å
98F98.5Very high96.1Very high0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-115.9127.1-178.9-61.1-84000110.2M14 L17 V70 A71 F72 V73 F96 E122 A124 L126M14-F98 HydrophobicContact CB-CD2 4.03Å; M14-F98 HydrophobicContact CB-CE1 4.39Å; M14-F98 HydrophobicContact CB-CE2 3.86Å; M14-F98 HydrophobicContact CB-CG 4.35Å; M14-F98 HydrophobicContact CB-CZ 4.06Å; M14-F98 HydrophobicContact CE-CB 3.57Å; M14-F98 HydrophobicContact CE-CD2 3.57Å; M14-F98 HydrophobicContact CE-CE2 4.42Å; M14-F98 HydrophobicContact CE-CG 3.69Å; M14-F98 HydrophobicContact CG-CB 4.28Å; M14-F98 HydrophobicContact CG-CD1 3.82Å; M14-F98 HydrophobicContact CG-CD2 3.9Å; M14-F98 HydrophobicContact CG-CE1 4.08Å; M14-F98 HydrophobicContact CG-CE2 4.12Å; M14-F98 HydrophobicContact CG-CG 3.73Å; M14-F98 HydrophobicContact CG-CZ 4.22Å; M14-F98 HydrophobicContact SD-CB 4.3Å; M14-F98 HydrophobicContact SD-CG 4.35Å; L17-F98 HydrophobicContact CB-CZ 4.25Å; L17-F98 HydrophobicContact CD1-CE1 4Å; L17-F98 HydrophobicContact CD1-CZ 4.23Å; V70-F98 HydrophobicContact CG1-CD2 3.91Å; V70-F98 HydrophobicContact CG1-CE2 3.9Å; A71-F98 PolarHBondContact O-N 3.11Å; F72-F98 WeakPolarHBondContact CA-O 3.31Å; F72-F98 HydrophobicContact CD2-CB 4.15Å; V73-F98 PolarHBondContact N-O 3.21Å; F96-F98 HydrophobicContact CB-CD2 4.41Å; F96-F98 HydrophobicContact CB-CE2 3.59Å; F96-F98 HydrophobicContact CB-CZ 4.18Å; F98-E122 HydrophobicContact CE1-CG 4.46Å; F98-E122 HydrophobicContact CZ-CG 4.5Å; F98-A124 CarbonylContact C-O 3.59Å; F98-A124 VanDerWaalsContact CA-O 3.3Å; F98-A124 WeakPolarHBondContact CA-O 3.45Å; F98-A124 HydrophobicContact CD1-CB 3.82Å; F98-A124 HydrophobicContact CE1-CB 3.92Å; F98-L126 HydrophobicContact CB-CD1 3.84Å; F98-L126 HydrophobicContact CB-CG 4.46Å; F98-L126 HydrophobicContact CD1-CD1 3.91Å; F98-L126 HydrophobicContact CD1-CD2 4.43Å; F98-L126 HydrophobicContact CD1-CG 4.22Å; F98-L126 HydrophobicContact CG-CD1 4.12Å
99F98.4Very high96.2Very high0 Ų041.8 Ų41.80%022%0.219CC..EExtended strand (participates in β ladder)trans-96.4136.2174.2-69.1-77.7000110.8V73 A75 V80 V97 N101 I103 L111 I123 A124 L126V73-F99 HydrophobicContact CG2-CD1 3.81Å; V73-F99 HydrophobicContact CG2-CE1 3.58Å; V73-F99 HydrophobicContact CG2-CZ 4.4Å; V73-F99 CarbonylContact O-C 3.56Å; V73-F99 WeakPolarHBondContact O-CA 3.43Å; A75-F99 HydrophobicContact CB-CB 4.23Å; A75-F99 HydrophobicContact CB-CD1 3.96Å; A75-F99 HydrophobicContact CB-CG 4.33Å; V80-F99 HydrophobicContact CG2-CE1 4.36Å; V97-F99 HydrophobicContact CG1-CD2 4.46Å; V97-F99 HydrophobicContact CG1-CE2 3.72Å; V97-F99 HydrophobicContact CG1-CZ 3.84Å; F99-N101 WeakPolarHBondContact CB-O 3.35Å; F99-N101 PolarHBondContact O-N 2.62Å; F99-I103 HydrophobicContact CD1-CD1 4.01Å; F99-I103 HydrophobicContact CD2-CB 4.26Å; F99-I103 HydrophobicContact CD2-CD1 3.72Å; F99-I103 HydrophobicContact CD2-CG2 4.09Å; F99-I103 HydrophobicContact CE1-CD1 3.69Å; F99-I103 HydrophobicContact CE2-CD1 3.37Å; F99-I103 HydrophobicContact CG-CB 4.28Å; F99-I103 HydrophobicContact CG-CD1 4.04Å; F99-I103 HydrophobicContact CZ-CD1 3.37Å; F99-L111 HydrophobicContact CE2-CD1 3.77Å; F99-L111 HydrophobicContact CZ-CD1 3.59Å; F99-I123 HydrophobicContact CD2-CG2 4.21Å; F99-I123 HydrophobicContact CE2-CG2 3.98Å; F99-A124 PolarHBondContact N-O 2.85Å; F99-L126 PolarHBondContact O-N 3.37Å
100S97.2Very high96.4Very high0 Ų041.3 Ų41.30%021%0.214CC..SBendtrans-68.8-9.3179.975.90000114.7V73 R74 L126 A128 D129V73-S100 PolarHBondContact O-N 3.18Å; R74-S100 WeakPolarHBondContact CA-OG 3.44Å; R74-S100 WeakPolarHBondContact CG-OG 3.31Å; S100-L126 CarbonylContact C-O 3.59Å; S100-A128 WeakPolarHBondContact CB-O 3.31Å; S100-A128 CarbonylContact O-C 3.44Å; S100-A128 PolarHBondContact O-N 3.15Å; S100-A128 VanDerWaalsContact O-N 3.09Å; S100-D129 WeakPolarHBondContact O-CB 3.22Å; S100-D129 PolarHBondContact O-N 3.17Å; S100-D129 PolarHBondContact OG-OD1 2.86Å
101N94.4Very high96.5Very high16 Ų1641.2 Ų41.29%0.08621%0.213CC..SBendtrans-158.6-179.3179.5-143.2-36000109.8F99 I103 L126 D129 C161F99-N101 WeakPolarHBondContact CB-O 3.35Å; F99-N101 PolarHBondContact O-N 2.62Å; N101-I103 PolarHBondContact O-N 2.82Å; N101-L126 PolarHBondContact N-O 3.37Å; N101-D129 HydrophobicContact CB-CB 4.19Å; N101-D129 PolarHBondContact ND2-OD2 3.32Å; N101-D129 VanDerWaalsContact ND2-OD2 3.11Å; N101-C161 PolarHBondContact ND2-O 2.76Å
102V92.8Very high96.6Very high68 Ų6842.5 Ų42.541%0.41223%0.233SC..  trans-55.9133.7178.8-178.40000111.7A75 Y127A75-V102 WeakPolarHBondContact CB-O 3.28Å; V102-Y127 HydrophobicContact CG2-CE1 4.13Å
103I94.6Very high96.7Very high11 Ų1148 Ų486%0.05626%0.259CS..  trans-108.9146.6175.9-176165000111.1A75 V80 F99 N101 D107 L108 L111 E125A75-I103 HydrophobicContact CB-CB 4.01Å; A75-I103 HydrophobicContact CB-CG1 4.42Å; V80-I103 HydrophobicContact CG2-CD1 4.05Å; F99-I103 HydrophobicContact CD1-CD1 4.01Å; F99-I103 HydrophobicContact CD2-CB 4.26Å; F99-I103 HydrophobicContact CD2-CD1 3.72Å; F99-I103 HydrophobicContact CD2-CG2 4.09Å; F99-I103 HydrophobicContact CE1-CD1 3.69Å; F99-I103 HydrophobicContact CE2-CD1 3.37Å; F99-I103 HydrophobicContact CG-CB 4.28Å; F99-I103 HydrophobicContact CG-CD1 4.04Å; F99-I103 HydrophobicContact CZ-CD1 3.37Å; N101-I103 PolarHBondContact O-N 2.82Å; I103-D107 HydrophobicContact CD1-CB 3.84Å; I103-D107 HydrophobicContact CG1-CB 3.74Å; I103-L108 HydrophobicContact CD1-CD2 4.25Å; I103-L108 HydrophobicContact CD1-CG 4.4Å; I103-L108 HydrophobicContact CG1-CG 4.32Å; I103-L108 HydrophobicContact CG2-CD1 3.99Å; I103-L108 HydrophobicContact CG2-CD2 3.77Å; I103-L108 HydrophobicContact CG2-CG 3.76Å; I103-L111 HydrophobicContact CD1-CD1 4.07Å; I103-E125 HydrophobicContact CG2-CG 4.06Å; I103-E125 WeakPolarHBondContact CG2-OE1 3.39Å; I103-E125 PolarHBondContact N-OE1 3.39Å
104S94Very high96.7Very high45 Ų4546.9 Ų46.932%0.31525%0.248SC..  trans-74149.717982.30000111.9S106 D107 L108S104-S106 PolarHBondContact O-N 2.93Å; S104-S106 PolarHBondContact OG-OG 3.17Å; S104-D107 PolarHBondContact O-N 2.86Å; S104-D107 VanDerWaalsContact O-N 3.12Å; S104-D107 WeakPolarHBondContact OG-CB 3.18Å; S104-D107 PolarHBondContact OG-N 3.35Å; S104-D107 VanDerWaalsContact OG-N 3.11Å; S104-D107 PolarHBondContact OG-OD2 2.86Å; S104-L108 PolarHBondContact O-N 2.73Å
105K95Very high96.7Very high187 Ų18745.3 Ų45.381%0.81324%0.241SC*.Hα-helixtrans-60.4-31.8174.9-67.4-176.4178.9-179.60112.9K109K105-K109 PolarHBondContact O-N 3.37Å
106S96.8Very high96.6Very high76 Ų7651.4 Ų51.453%0.53127%0.274SS..Hα-helixtrans-68-37.5175.643.30000112.3S104 K109 Q110S104-S106 PolarHBondContact O-N 2.93Å; S104-S106 PolarHBondContact OG-OG 3.17Å; S106-K109 PolarHBondContact O-N 3.19Å; S106-Q110 WeakPolarHBondContact O-CG 3.39Å; S106-Q110 PolarHBondContact O-N 2.86Å; S106-Q110 PolarHBondContact O-NE2 3.47Å
107D97.1Very high96.4Very high27 Ų2756.1 Ų56.114%0.14429%0.294CS..Hα-helixtrans-72.4-40.2177.3-62.8-30.6000110.9V80 I103 S104 K109 Q110 L111V80-D107 HydrophobicContact CB-CB 4.5Å; V80-D107 HydrophobicContact CG1-CB 3.94Å; V80-D107 HydrophobicContact CG2-CB 3.85Å; I103-D107 HydrophobicContact CD1-CB 3.84Å; I103-D107 HydrophobicContact CG1-CB 3.74Å; S104-D107 PolarHBondContact O-N 2.86Å; S104-D107 VanDerWaalsContact O-N 3.12Å; S104-D107 WeakPolarHBondContact OG-CB 3.18Å; S104-D107 PolarHBondContact OG-N 3.35Å; S104-D107 VanDerWaalsContact OG-N 3.11Å; S104-D107 PolarHBondContact OG-OD2 2.86Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 3.37Å; D107-Q110 WeakPolarHBondContact O-CB 3.43Å; D107-Q110 PolarHBondContact O-N 3.02Å; D107-Q110 VanDerWaalsContact O-N 3.16Å; D107-Q110 PolarHBondContact OD1-NE2 2.82Å; D107-Q110 VanDerWaalsContact OD1-NE2 3.16Å; D107-L111 WeakPolarHBondContact O-CG 3.46Å; D107-L111 PolarHBondContact O-N 2.76Å; D107-L111 VanDerWaalsContact O-N 3.11Å
108L96.7Very high96.3Very high59 Ų5963.2 Ų63.231%0.30933%0.328SS..Hα-helixtrans-57.8-40.5171.6-74.9174.6000112.4I103 S104 L111 A112 I123I103-L108 HydrophobicContact CD1-CD2 4.25Å; I103-L108 HydrophobicContact CD1-CG 4.4Å; I103-L108 HydrophobicContact CG1-CG 4.32Å; I103-L108 HydrophobicContact CG2-CD1 3.99Å; I103-L108 HydrophobicContact CG2-CD2 3.77Å; I103-L108 HydrophobicContact CG2-CG 3.76Å; S104-L108 PolarHBondContact O-N 2.73Å; L108-L111 HydrophobicContact CD2-CD1 4.49Å; L108-L111 PolarHBondContact O-N 2.82Å; L108-A112 PolarHBondContact O-N 3.35Å; L108-I123 HydrophobicContact CD2-CG2 3.75Å
109K97.1Very high96.3Very high130 Ų13063.7 Ų63.757%0.56533%0.331SS*.Hα-helixtrans-62.3-42.9176-178.1176.5169.6-179.90111.8K105 S106 D107 L111 A112 E113K105-K109 PolarHBondContact O-N 3.37Å; S106-K109 PolarHBondContact O-N 3.19Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 3.37Å; K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 2.78Å; K109-A112 PolarHBondContact O-N 3.23Å; K109-E113 WeakPolarHBondContact CE-OE1 3.43Å; K109-E113 IonicContact NZ-OE1 3.69Å; K109-E113 WeakPolarHBondContact O-CG 3.37Å; K109-E113 PolarHBondContact O-N 3.09Å
110Q97.4Very high96.3Very high89 Ų8965.1 Ų65.142%0.41634%0.339SS..Hα-helixtrans-61.5-37.6176.9-72173.379.800112.3V84 S106 D107 A114V84-Q110 HydrophobicContact CG2-CB 4.25Å; S106-Q110 WeakPolarHBondContact O-CG 3.39Å; S106-Q110 PolarHBondContact O-N 2.86Å; S106-Q110 PolarHBondContact O-NE2 3.47Å; D107-Q110 WeakPolarHBondContact O-CB 3.43Å; D107-Q110 PolarHBondContact O-N 3.02Å; D107-Q110 VanDerWaalsContact O-N 3.16Å; D107-Q110 PolarHBondContact OD1-NE2 2.82Å; D107-Q110 VanDerWaalsContact OD1-NE2 3.16Å; Q110-A114 WeakPolarHBondContact O-CB 3.07Å; Q110-A114 PolarHBondContact O-N 3.39Å
111L97.4Very high96.3Very high2 Ų271.4 Ų71.41%0.0136%0.363CS..Hα-helixtrans-67-42.6175.6-64.3168.7000111.8V80 V83 V84 L87 F99 I103 D107 L108 K109 E113 A114 D115 I123V80-L111 HydrophobicContact CG1-CD2 4.49Å; V80-L111 HydrophobicContact CG1-CG 4.5Å; V83-L111 HydrophobicContact CB-CD2 3.79Å; V83-L111 HydrophobicContact CG1-CD2 3.51Å; V84-L111 HydrophobicContact CG2-CD2 3.88Å; L87-L111 HydrophobicContact CD1-CD2 4.3Å; F99-L111 HydrophobicContact CE2-CD1 3.77Å; F99-L111 HydrophobicContact CZ-CD1 3.59Å; I103-L111 HydrophobicContact CD1-CD1 4.07Å; D107-L111 WeakPolarHBondContact O-CG 3.46Å; D107-L111 PolarHBondContact O-N 2.76Å; D107-L111 VanDerWaalsContact O-N 3.11Å; L108-L111 HydrophobicContact CD2-CD1 4.49Å; L108-L111 PolarHBondContact O-N 2.82Å; K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 2.78Å; L111-E113 VanDerWaalsContact C-N 3.32Å; L111-E113 PolarHBondContact O-N 3.1Å; L111-A114 WeakPolarHBondContact O-CB 3.41Å; L111-A114 PolarHBondContact O-N 2.8Å; L111-A114 VanDerWaalsContact O-N 3.1Å; L111-D115 PolarHBondContact O-N 2.8Å; L111-I123 HydrophobicContact CB-CD1 4.46Å; L111-I123 HydrophobicContact CD1-CD1 4.49Å
112A96.7Very high96.4Very high73 Ų7374.4 Ų74.460%0.60338%0.376SS*.Hα-helixtrans-62.9-38.9177.200000112.2L108 K109 A114L108-A112 PolarHBondContact O-N 3.35Å; K109-A112 PolarHBondContact O-N 3.23Å; A112-A114 PolarHBondContact O-N 3.39Å
113E97.3Very high96.7Very high119 Ų11974 Ų7456%0.55637%0.371SS*.THydrogen-bonded Turntrans-71.5-11.6175.4-70.6174.7173.900113.6K109 L111K109-E113 WeakPolarHBondContact CE-OE1 3.43Å; K109-E113 IonicContact NZ-OE1 3.69Å; K109-E113 WeakPolarHBondContact O-CG 3.37Å; K109-E113 PolarHBondContact O-N 3.09Å; L111-E113 VanDerWaalsContact C-N 3.32Å; L111-E113 PolarHBondContact O-N 3.1Å
114A97.1Very high96.8Very high0 Ų074.6 Ų74.60%038%0.378CS..THydrogen-bonded Turntrans-98-14.5-17900000113.7V84 L87 R88 Q110 L111 A112 D116V84-A114 HydrophobicContact CB-CB 4.18Å; V84-A114 HydrophobicContact CG1-CB 3.84Å; V84-A114 HydrophobicContact CG2-CB 4.12Å; L87-A114 CarbonylContact C-O 3.59Å; L87-A114 HydrophobicContact CB-CB 4.21Å; R88-A114 HydrophobicContact CG-CB 4.14Å; R88-A114 PolarHBondContact N-O 2.94Å; Q110-A114 WeakPolarHBondContact O-CB 3.07Å; Q110-A114 PolarHBondContact O-N 3.39Å; L111-A114 WeakPolarHBondContact O-CB 3.41Å; L111-A114 PolarHBondContact O-N 2.8Å; L111-A114 VanDerWaalsContact O-N 3.1Å; A112-A114 PolarHBondContact O-N 3.39Å; A114-D116 VanDerWaalsContact C-N 3.29Å; A114-D116 PolarHBondContact O-N 2.8Å; A114-D116 VanDerWaalsContact O-N 3.15Å
115D97.3Very high96.8Very high31 Ų3175.7 Ų75.717%0.16638%0.378CS..  trans-8854-176.5-169.528.4000112.8L111 F117 E118 V119 V120L111-D115 PolarHBondContact O-N 2.8Å; D115-F117 PolarHBondContact O-N 3.18Å; D115-E118 PolarHBondContact O-N 2.8Å; D115-E118 VanDerWaalsContact O-N 3.11Å; D115-E118 PolarHBondContact OD1-N 2.81Å; D115-E118 WeakPolarHBondContact OD2-CA 3.1Å; D115-V119 VanDerWaalsContact OD1-CG2 3.22Å; D115-V119 WeakPolarHBondContact OD1-CG2 3.26Å; D115-V119 PolarHBondContact OD1-N 3.21Å; D115-V119 PolarHBondContact OD2-N 3.43Å; D115-V120 HydrophobicContact CB-CG2 4.06Å; D115-V120 VanDerWaalsContact OD2-CB 3.25Å; D115-V120 WeakPolarHBondContact OD2-CB 3.43Å; D115-V120 WeakPolarHBondContact OD2-CG2 3.4Å; D115-V120 PolarHBondContact OD2-N 3.37Å
116D95.3Very high96.8Very high129 Ų12967.4 Ų67.469%0.6934%0.342SS*.THydrogen-bonded Turntrans-60.4-17.6177.9-68.8-44.1000113.2A114A114-D116 VanDerWaalsContact C-N 3.29Å; A114-D116 PolarHBondContact O-N 2.8Å; A114-D116 VanDerWaalsContact O-N 3.15Å
117F95.6Very high96.7Very high115 Ų11565.5 Ų65.550%0.50432%0.324SS..THydrogen-bonded Turntrans-97.80.2-178.4-64.7-90.1000113.6R88 P90 D115 V119R88-F117 WeakPolarHBondContact O-CE2 3.21Å; P90-F117 VanDerWaalsContact CD-CD2 3.44Å; P90-F117 HydrophobicContact CG-CB 3.9Å; P90-F117 HydrophobicContact CG-CD1 4.35Å; P90-F117 HydrophobicContact CG-CD2 3.69Å; P90-F117 HydrophobicContact CG-CE2 4.31Å; P90-F117 HydrophobicContact CG-CG 3.71Å; D115-F117 PolarHBondContact O-N 3.18Å; F117-V119 HydrophobicContact CB-CG1 3.82Å; F117-V119 PolarHBondContact O-N 2.86Å
118E96.7Very high96.7Very high150 Ų15064.2 Ų64.270%0.70132%0.317SS*.  trans50.641.2-178.5-56.9-177.217600113.1D115 R121D115-E118 PolarHBondContact O-N 2.8Å; D115-E118 VanDerWaalsContact O-N 3.11Å; D115-E118 PolarHBondContact OD1-N 2.81Å; D115-E118 WeakPolarHBondContact OD2-CA 3.1Å; E118-R121 PolarHBondContact O-NH1 3.33Å; E118-R121 PolarHBondContact O-NH2 2.88Å
119V97.4Very high96.8Very high11 Ų1161.4 Ų61.47%0.06730%0.303CS..  trans-92.5-18.6-177-66.10000112.5L87 P90 Q94 Y95 D115 F117 R121L87-V119 HydrophobicContact CD2-CG2 4.15Å; P90-V119 HydrophobicContact CB-CG1 4.44Å; P90-V119 HydrophobicContact CB-CG2 4Å; P90-V119 HydrophobicContact CG-CG1 4.25Å; P90-V119 HydrophobicContact CG-CG2 4.23Å; Q94-V119 CarbonylContact C-O 3.6Å; Q94-V119 WeakPolarHBondContact CA-O 3.4Å; Y95-V119 HydrophobicContact CD2-CB 3.97Å; Y95-V119 HydrophobicContact CD2-CG2 3.56Å; Y95-V119 HydrophobicContact CE2-CG2 4.02Å; Y95-V119 HydrophobicContact CG-CG2 4.46Å; Y95-V119 PolarHBondContact N-O 3.17Å; D115-V119 VanDerWaalsContact OD1-CG2 3.22Å; D115-V119 WeakPolarHBondContact OD1-CG2 3.26Å; D115-V119 PolarHBondContact OD1-N 3.21Å; D115-V119 PolarHBondContact OD2-N 3.43Å; F117-V119 HydrophobicContact CB-CG1 3.82Å; F117-V119 PolarHBondContact O-N 2.86Å; V119-R121 PolarHBondContact O-N 3.09Å
120V98Very high96.8Very high29 Ų2955.2 Ų55.218%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-72.5126.7178.6-178.40000109.6L87 Y95 D115 I123L87-V120 HydrophobicContact CD1-CG2 3.72Å; L87-V120 HydrophobicContact CD2-CG2 3.54Å; L87-V120 HydrophobicContact CG-CG2 4.27Å; Y95-V120 WeakPolarHBondContact O-CA 3.46Å; D115-V120 HydrophobicContact CB-CG2 4.06Å; D115-V120 VanDerWaalsContact OD2-CB 3.25Å; D115-V120 WeakPolarHBondContact OD2-CB 3.43Å; D115-V120 WeakPolarHBondContact OD2-CG2 3.4Å; D115-V120 PolarHBondContact OD2-N 3.37Å; V120-I123 HydrophobicContact CG1-CD1 4.02Å; V120-I123 HydrophobicContact CG1-CG1 3.61Å
121R97.7Very high96.9Very high133 Ų13351.2 Ų51.250%0.50226%0.257SS..EExtended strand (participates in β ladder)trans-108.6-29.3179.9-59.8-56.2177-151.9-9.5112.9Q94 Y95 F96 E118 V119Q94-R121 HydrophobicContact CB-CG 4.02Å; Q94-R121 HydrophobicContact CG-CG 4.21Å; Y95-R121 PolarHBondContact O-N 3.06Å; F96-R121 HydrophobicContact CD1-CB 4.14Å; F96-R121 HydrophobicContact CE1-CB 3.67Å; F96-R121 HydrophobicContact CE2-CB 4.33Å; F96-R121 HydrophobicContact CE2-CG 4.46Å; F96-R121 HydrophobicContact CZ-CB 3.77Å; F96-R121 HydrophobicContact CZ-CG 4.13Å; E118-R121 PolarHBondContact O-NH1 3.33Å; E118-R121 PolarHBondContact O-NH2 2.88Å; V119-R121 PolarHBondContact O-N 3.09Å
122E97.2Very high96.9Very high79 Ų7951.1 Ų51.137%0.36926%0.257SS..EExtended strand (participates in β ladder)trans-150.4140.4180-171.864.9-160.700109.4F96 V97 F98 A124F96-E122 HydrophobicContact CB-CB 4.47Å; F96-E122 HydrophobicContact CD1-CB 3.7Å; F96-E122 HydrophobicContact CE1-CB 4.45Å; F96-E122 HydrophobicContact CG-CB 4.5Å; V97-E122 PolarHBondContact N-O 3.12Å; F98-E122 HydrophobicContact CE1-CG 4.46Å; F98-E122 HydrophobicContact CZ-CG 4.5Å; E122-A124 HydrophobicContact CG-CB 4.43Å
123I97.5Very high96.9Very high59 Ų5947.9 Ų47.930%0.30323%0.229SC..EExtended strand (participates in β ladder)trans-128.3121.1162.3-55.5-175.3000107.9V97 F99 L108 L111 V120V97-I123 HydrophobicContact CB-CG1 4.29Å; V97-I123 CarbonylContact O-C 3.13Å; V97-I123 VanDerWaalsContact O-CA 3.24Å; V97-I123 WeakPolarHBondContact O-CA 3.3Å; F99-I123 HydrophobicContact CD2-CG2 4.21Å; F99-I123 HydrophobicContact CE2-CG2 3.98Å; L108-I123 HydrophobicContact CD2-CG2 3.75Å; L111-I123 HydrophobicContact CB-CD1 4.46Å; L111-I123 HydrophobicContact CD1-CD1 4.49Å; V120-I123 HydrophobicContact CG1-CD1 4.02Å; V120-I123 HydrophobicContact CG1-CG1 3.61Å
124A96.6Very high96.8Very high24 Ų2442.3 Ų42.320%0.19820%0.203CC..EExtended strand (participates in β ladder)trans-139.4152.5-179.100000112.9V97 F98 F99 E122V97-A124 PolarHBondContact O-N 2.83Å; F98-A124 CarbonylContact C-O 3.59Å; F98-A124 VanDerWaalsContact CA-O 3.3Å; F98-A124 WeakPolarHBondContact CA-O 3.45Å; F98-A124 HydrophobicContact CD1-CB 3.82Å; F98-A124 HydrophobicContact CE1-CB 3.92Å; F99-A124 PolarHBondContact N-O 2.85Å; E122-A124 HydrophobicContact CG-CB 4.43Å
125E94.9Very high96.7Very high67 Ų6744.6 Ų44.631%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-96.8136.5172.9-60.1177.3163.800109.4I103I103-E125 HydrophobicContact CG2-CG 4.06Å; I103-E125 WeakPolarHBondContact CG2-OE1 3.39Å; I103-E125 PolarHBondContact N-OE1 3.39Å
126L94.9Very high96.7Very high13 Ų1344.6 Ų44.67%0.06822%0.217CC..  trans-124.1149.4173.4-54.1171.8000107.7Y10 M14 F72 F98 F99 S100 N101 A128Y10-L126 HydrophobicContact CD1-CB 4.12Å; Y10-L126 HydrophobicContact CD1-CD2 3.86Å; Y10-L126 HydrophobicContact CD1-CG 4.5Å; Y10-L126 HydrophobicContact CE1-CD2 4.49Å; Y10-L126 HydrophobicContact CG-CB 4.34Å; M14-L126 HydrophobicContact CE-CD1 4.24Å; M14-L126 HydrophobicContact CG-CD1 3.21Å; M14-L126 HydrophobicContact SD-CD1 3.19Å; M14-L126 WeakPolarHBondContact SD-CD1 3.47Å; F72-L126 HydrophobicContact CE2-CD1 4.35Å; F98-L126 HydrophobicContact CB-CD1 3.84Å; F98-L126 HydrophobicContact CB-CG 4.46Å; F98-L126 HydrophobicContact CD1-CD1 3.91Å; F98-L126 HydrophobicContact CD1-CD2 4.43Å; F98-L126 HydrophobicContact CD1-CG 4.22Å; F98-L126 HydrophobicContact CG-CD1 4.12Å; F99-L126 PolarHBondContact O-N 3.37Å; S100-L126 CarbonylContact C-O 3.59Å; N101-L126 PolarHBondContact N-O 3.37Å; L126-A128 VanDerWaalsContact C-N 3.29Å; L126-A128 PolarHBondContact O-N 2.84Å
127Y95.4Very high96.8Very high36 Ų3638.5 Ų38.514%0.14118%0.184CC..SBendtrans-96.858.6179.6-54.4-59.7000110.4V102 S165 L168 A169 L202V102-Y127 HydrophobicContact CG2-CE1 4.13Å; Y127-S165 PolarHBondContact O-OG 3.45Å; Y127-L168 HydrophobicContact CD1-CB 4.23Å; Y127-L168 HydrophobicContact CD1-CD1 3.42Å; Y127-L168 VanDerWaalsContact CD1-CD1 3.42Å; Y127-L168 HydrophobicContact CD1-CG 4.46Å; Y127-L168 HydrophobicContact CD2-CB 3.7Å; Y127-L168 HydrophobicContact CD2-CD1 4.06Å; Y127-L168 HydrophobicContact CD2-CG 4.41Å; Y127-L168 HydrophobicContact CE1-CD1 3.68Å; Y127-L168 HydrophobicContact CE2-CB 4.49Å; Y127-L168 HydrophobicContact CE2-CD1 4.27Å; Y127-L168 HydrophobicContact CG-CB 3.56Å; Y127-L168 HydrophobicContact CG-CD1 3.66Å; Y127-L168 HydrophobicContact CG-CG 4.25Å; Y127-A169 WeakPolarHBondContact O-CB 3.4Å; Y127-L202 HydrophobicContact CE1-CD2 3.94Å; Y127-L202 HydrophobicContact CE2-CD1 3.79Å; Y127-L202 HydrophobicContact CE2-CD2 4.47Å; Y127-L202 HydrophobicContact CE2-CG 4.49Å; Y127-L202 WeakPolarHBondContact OH-CD1 3.34Å; Y127-L202 WeakPolarHBondContact OH-CD2 3.32Å
128A97.2Very high97Very high0 Ų033 Ų330%016%0.16CC..  trans-123.258.4-174.600000111.2I7 Y10 I34 F72 S100 L126 S165I7-A128 HydrophobicContact CD1-CB 3.49Å; I7-A128 VanDerWaalsContact CD1-CB 3.49Å; Y10-A128 HydrophobicContact CD2-CB 4.05Å; Y10-A128 HydrophobicContact CG-CB 4.46Å; I34-A128 WeakPolarHBondContact CD1-O 3.38Å; F72-A128 HydrophobicContact CZ-CB 3.93Å; S100-A128 WeakPolarHBondContact CB-O 3.31Å; S100-A128 CarbonylContact O-C 3.44Å; S100-A128 PolarHBondContact O-N 3.15Å; S100-A128 VanDerWaalsContact O-N 3.09Å; L126-A128 VanDerWaalsContact C-N 3.29Å; L126-A128 PolarHBondContact O-N 2.84Å; A128-S165 PolarHBondContact N-OG 3.39Å
129D97.4Very high97.1Very high1 Ų125.9 Ų25.91%0.00513%0.127CC..  trans-108.330-173.5-154.122.4000113.9R74 S100 N101 R158 S165R74-D129 WeakPolarHBondContact CD-OD1 3.33Å; R74-D129 IonicContact CZ-OD1 3.26Å; R74-D129 IonicContact CZ-OD2 3.01Å; R74-D129 IonicContact NE-OD1 2.84Å; R74-D129 PolarHBondContact NE-OD1 3.3Å; R74-D129 IonicContact NE-OD2 2.57Å; R74-D129 IonicContact NH2-OD1 3.91Å; R74-D129 IonicContact NH2-OD2 3.78Å; R74-D129 PolarHBondContact NH2-OD2 3.11Å; S100-D129 WeakPolarHBondContact O-CB 3.22Å; S100-D129 PolarHBondContact O-N 3.17Å; S100-D129 PolarHBondContact OG-OD1 2.86Å; N101-D129 HydrophobicContact CB-CB 4.19Å; N101-D129 PolarHBondContact ND2-OD2 3.32Å; N101-D129 VanDerWaalsContact ND2-OD2 3.11Å; D129-R158 PolarHBondContact O-NH1 3.16Å; D129-R158 PolarHBondContact O-NH2 3.13Å; D129-R158 IonicContact OD1-CZ 3.66Å; D129-R158 IonicContact OD1-NH1 2.7Å; D129-R158 IonicContact OD1-NH2 3.56Å; D129-R158 PolarHBondContact OD1-NH2 2.9Å; D129-R158 IonicContact OD2-CZ 3.9Å; D129-R158 IonicContact OD2-NH1 3.99Å; D129-R158 PolarHBondContact OD2-NH1 3.26Å; D129-S165 PolarHBondContact N-OG 2.95Å
130F98.1Very high97.1Very high0 Ų025.5 Ų25.50%013%0.125CC..SBendtrans-146.4157.5177.963.3-89.2000110.5L3 I7 I34 P132 F138 S165 V166 A169L3-F130 HydrophobicContact CB-CE2 4.25Å; L3-F130 HydrophobicContact CD2-CD2 4.44Å; L3-F130 HydrophobicContact CD2-CE2 3.65Å; L3-F130 HydrophobicContact CD2-CZ 3.96Å; I7-F130 HydrophobicContact CD1-CD1 4.43Å; I7-F130 HydrophobicContact CD1-CD2 4.49Å; I7-F130 HydrophobicContact CD1-CE1 3.85Å; I7-F130 HydrophobicContact CD1-CE2 3.93Å; I7-F130 HydrophobicContact CD1-CZ 3.59Å; I7-F130 HydrophobicContact CG1-CE1 4.48Å; I7-F130 HydrophobicContact CG1-CE2 3.73Å; I7-F130 HydrophobicContact CG1-CZ 3.72Å; I34-F130 WeakPolarHBondContact CG1-O 3.44Å; F130-P132 HydrophobicContact CE2-CB 4.3Å; F130-P132 WeakPolarHBondContact O-CD 3.29Å; F130-F138 HydrophobicContact CB-CD2 4.04Å; F130-F138 HydrophobicContact CD2-CB 3.83Å; F130-F138 HydrophobicContact CD2-CD2 4.38Å; F130-F138 HydrophobicContact CD2-CG 4.26Å; F130-F138 HydrophobicContact CE2-CB 4.47Å; F130-F138 HydrophobicContact CG-CD2 4.42Å; F130-S165 WeakPolarHBondContact CD1-OG 3.37Å; F130-V166 HydrophobicContact CB-CG2 4.07Å; F130-V166 HydrophobicContact CD1-CB 4.27Å; F130-V166 HydrophobicContact CD1-CG2 3.31Å; F130-V166 HydrophobicContact CD2-CG2 4.06Å; F130-V166 HydrophobicContact CE1-CB 4.23Å; F130-V166 HydrophobicContact CE1-CG2 3.65Å; F130-V166 HydrophobicContact CE2-CG2 4.34Å; F130-V166 HydrophobicContact CG-CG2 3.53Å; F130-V166 HydrophobicContact CZ-CG2 4.14Å; F130-A169 HydrophobicContact CE1-CB 3.91Å; F130-A169 HydrophobicContact CZ-CB 4.1Å
131V98.3Very high97Very high5 Ų527.1 Ų27.13%0.0313%0.132CC..EExtended strand (participates in β ladder)trans-96.9115.1-179.9-178.70000110.1A33 I34 C37 L133 F138 T139A33-V131 HydrophobicContact CB-CG2 3.89Å; I34-V131 HydrophobicContact CG1-CG2 3.87Å; C37-V131 HydrophobicContact CB-CG1 4.11Å; C37-V131 VanDerWaalsContact SG-CG1 3.51Å; V131-L133 HydrophobicContact CG1-CD2 4.03Å; V131-L133 PolarHBondContact O-N 2.96Å; V131-F138 VanDerWaalsContact O-CA 3.25Å; V131-F138 WeakPolarHBondContact O-CA 3.31Å; V131-F138 WeakPolarHBondContact O-CB 3.47Å; V131-T139 HydrophobicContact CB-CG2 3.82Å; V131-T139 HydrophobicContact CG1-CG2 4.24Å; V131-T139 PolarHBondContact N-O 2.89Å; V131-T139 PolarHBondContact O-N 3.11Å
132P97.8Very high96.9Very high0 Ų022.7 Ų22.70%012%0.118CC..EExtended strand (participates in β ladder)trans-82.8100.8179.735.2-37000110.6L3 V4 I7 C37 F130L3-P132 HydrophobicContact CB-CB 4.26Å; V4-P132 HydrophobicContact CG2-CB 3.99Å; I7-P132 HydrophobicContact CB-CG 3.9Å; I7-P132 HydrophobicContact CG1-CB 4.17Å; I7-P132 HydrophobicContact CG1-CG 3.76Å; I7-P132 HydrophobicContact CG2-CG 3.98Å; C37-P132 HydrophobicContact CB-CG 4.47Å; C37-P132 WeakPolarHBondContact CB-O 3.44Å; F130-P132 HydrophobicContact CE2-CB 4.3Å; F130-P132 WeakPolarHBondContact O-CD 3.29Å
133L97.5Very high96.7Very high5 Ų522 Ų223%0.02612%0.121CC..EExtended strand (participates in β ladder)trans-75.8-41.5-177.9-62.9178.1000111.6V131 L137 T139 N248 M538V131-L133 HydrophobicContact CG1-CD2 4.03Å; V131-L133 PolarHBondContact O-N 2.96Å; L133-L137 HydrophobicContact CB-CB 4.46Å; L133-L137 HydrophobicContact CB-CD2 4.1Å; L133-L137 HydrophobicContact CB-CG 4.23Å; L133-L137 HydrophobicContact CD1-CD2 3.87Å; L133-L137 HydrophobicContact CD1-CG 4.12Å; L133-L137 PolarHBondContact N-O 3.39Å; L133-T139 HydrophobicContact CD1-CG2 3.82Å; L133-T139 HydrophobicContact CD2-CG2 4.06Å; L133-T139 HydrophobicContact CG-CG2 3.96Å; L133-N248 PolarHBondContact O-ND2 3.12Å; L133-N248 VanDerWaalsContact O-ND2 3.13Å; L133-M538 HydrophobicContact CD1-CG 3.56Å; L133-M538 HydrophobicContact CD1-SD 4.21Å
134C95.4Very high96.5Very high2 Ų224 Ų241%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-153177.9172.581.30000109.7H136 L137 P269C134-H136 PolarHBondContact O-N 2.76Å; C134-H136 PolarHBondContact SG-CE1 3.17Å; C134-L137 PolarHBondContact N-O 3.27Å; C134-L137 PolarHBondContact O-N 3.44Å; C134-L137 VanDerWaalsContact O-O 3.09Å; C134-L137 WeakPolarHBondContact SG-CB 3.49Å; C134-P269 HydrophobicContact CB-CG 3.92Å
135P95Very high96.3Very high48 Ų4822.9 Ų22.931%0.31212%0.118SC..THydrogen-bonded Turntrans-53.7-29.4-175-31.738.3000116.1L3 M270L3-P135 PolarHBondContact N-O 3.03Å; P135-M270 HydrophobicContact CG-CE 4.08Å
136H96.4Very high96.3Very high30 Ų3019.7 Ų19.714%0.13910%0.103CC..THydrogen-bonded Turntrans-119.16.3-176.460.1-83000113.7C134 Y280 Y521 I532 L533C134-H136 PolarHBondContact O-N 2.76Å; C134-H136 PolarHBondContact SG-CE1 3.17Å; H136-Y280 PolarHBondContact CE1-OH 3.08Å; H136-Y280 AromaticContact NE2-CZ 3.84Å; H136-Y280 PolarHBondContact NE2-OH 2.93Å; H136-Y521 AromaticContact CE1-CD2 3.94Å; H136-I532 CarbonylContact O-C 3.58Å; H136-I532 WeakPolarHBondContact O-CA 3.43Å; H136-L533 PolarHBondContact O-N 2.94Å
137L98.4Very high96.1Very high1 Ų124.8 Ų24.81%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-131.3128.5-178-175.668000111.2L133 C134 Y514 L533 M538L133-L137 HydrophobicContact CB-CB 4.46Å; L133-L137 HydrophobicContact CB-CD2 4.1Å; L133-L137 HydrophobicContact CB-CG 4.23Å; L133-L137 HydrophobicContact CD1-CD2 3.87Å; L133-L137 HydrophobicContact CD1-CG 4.12Å; L133-L137 PolarHBondContact N-O 3.39Å; C134-L137 PolarHBondContact N-O 3.27Å; C134-L137 PolarHBondContact O-N 3.44Å; C134-L137 VanDerWaalsContact O-O 3.09Å; C134-L137 WeakPolarHBondContact SG-CB 3.49Å; L137-Y514 HydrophobicContact CD2-CD1 3.92Å; L137-Y514 HydrophobicContact CD2-CE1 3.54Å; L137-L533 VanDerWaalsContact CA-O 3.31Å; L137-L533 WeakPolarHBondContact CA-O 3.28Å; L137-L533 HydrophobicContact CD1-CB 3.93Å; L137-L533 HydrophobicContact CD1-CD2 3.93Å; L137-L533 HydrophobicContact CD1-CG 3.9Å; L137-M538 HydrophobicContact CD1-CE 4.17Å; L137-M538 HydrophobicContact CD1-SD 4.03Å; L137-M538 HydrophobicContact CD2-CE 3.97Å; L137-M538 HydrophobicContact CD2-SD 4.25Å; L137-M538 HydrophobicContact CG-SD 4.43Å
138F98.6Very high95.9Very high0 Ų024.2 Ų24.20%013%0.132CC..EExtended strand (participates in β ladder)trans-130.7161.2169.772.5-84.1000112.7L3 F130 V131 L163 V166 I505 F507 I532 L533 G534 G535L3-F138 HydrophobicContact CD1-CB 4Å; L3-F138 HydrophobicContact CD1-CD1 3.92Å; L3-F138 HydrophobicContact CD1-CG 4.43Å; L3-F138 HydrophobicContact CD2-CD1 4.17Å; F130-F138 HydrophobicContact CB-CD2 4.04Å; F130-F138 HydrophobicContact CD2-CB 3.83Å; F130-F138 HydrophobicContact CD2-CD2 4.38Å; F130-F138 HydrophobicContact CD2-CG 4.26Å; F130-F138 HydrophobicContact CE2-CB 4.47Å; F130-F138 HydrophobicContact CG-CD2 4.42Å; V131-F138 VanDerWaalsContact O-CA 3.25Å; V131-F138 WeakPolarHBondContact O-CA 3.31Å; V131-F138 WeakPolarHBondContact O-CB 3.47Å; F138-L163 HydrophobicContact CZ-CD2 4.24Å; F138-V166 HydrophobicContact CD1-CG2 4.46Å; F138-V166 HydrophobicContact CD2-CG2 4.03Å; F138-V166 HydrophobicContact CE1-CG1 4.26Å; F138-V166 HydrophobicContact CE1-CG2 4.2Å; F138-V166 HydrophobicContact CE2-CG2 3.75Å; F138-V166 HydrophobicContact CG-CG2 4.37Å; F138-V166 HydrophobicContact CZ-CG1 4.42Å; F138-V166 HydrophobicContact CZ-CG2 3.83Å; F138-I505 HydrophobicContact CE1-CG2 4.3Å; F138-F507 HydrophobicContact CE2-CD2 4.06Å; F138-F507 HydrophobicContact CE2-CE2 4.16Å; F138-F507 AromaticContact CZ-CD2 3.96Å; F138-F507 HydrophobicContact CZ-CD2 3.96Å; F138-I532 HydrophobicContact CD1-CG2 3.97Å; F138-I532 HydrophobicContact CE1-CG2 4.03Å; F138-L533 WeakPolarHBondContact CD1-O 3.43Å; F138-L533 PolarHBondContact N-O 3.02Å; F138-G534 VanDerWaalsContact CZ-CA 3.49Å; F138-G534 WeakPolarHBondContact O-CA 3.47Å; F138-G535 PolarHBondContact O-N 3.19Å
139T98.5Very high95.7Very high1 Ų125 Ų251%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-133.3153.3171.3-179.40000110.7V131 L133 N141 G535 T536V131-T139 HydrophobicContact CB-CG2 3.82Å; V131-T139 HydrophobicContact CG1-CG2 4.24Å; V131-T139 PolarHBondContact N-O 2.89Å; V131-T139 PolarHBondContact O-N 3.11Å; L133-T139 HydrophobicContact CD1-CG2 3.82Å; L133-T139 HydrophobicContact CD2-CG2 4.06Å; L133-T139 HydrophobicContact CG-CG2 3.96Å; T139-N141 VanDerWaalsContact CG2-OD1 3.23Å; T139-N141 WeakPolarHBondContact CG2-OD1 3.48Å; T139-N141 PolarHBondContact OG1-N 3.34Å; T139-N141 VanDerWaalsContact OG1-N 3.13Å; T139-G535 WeakPolarHBondContact CA-O 3.47Å; T139-T536 PolarHBondContact OG1-O 3.17Å
140V97.7Very high95.4Very high2 Ų230.6 Ų30.61%0.01216%0.162CC..  trans-89.3-10172.5-171.40000111.5L142 R158 A162 F507 G535V140-L142 VanDerWaalsContact C-N 3.25Å; V140-L142 HydrophobicContact CG1-CB 4.3Å; V140-L142 PolarHBondContact O-N 3.19Å; V140-R158 HydrophobicContact CG1-CG 3.7Å; V140-A162 HydrophobicContact CB-CB 4.42Å; V140-A162 HydrophobicContact CG1-CB 3.94Å; V140-A162 HydrophobicContact CG2-CB 3.57Å; V140-F507 HydrophobicContact CG2-CE2 3.76Å; V140-F507 HydrophobicContact CG2-CZ 4.02Å; V140-G535 PolarHBondContact N-O 3.25Å
141N96.3Very high95Very high63 Ų6331 Ų3134%0.33716%0.164SC..  trans55.839-175.4-85.6-8.1000113.8T139 P143 N247 T536T139-N141 VanDerWaalsContact CG2-OD1 3.23Å; T139-N141 WeakPolarHBondContact CG2-OD1 3.48Å; T139-N141 PolarHBondContact OG1-N 3.34Å; T139-N141 VanDerWaalsContact OG1-N 3.13Å; N141-P143 WeakPolarHBondContact O-CD 3.33Å; N141-N247 PolarHBondContact ND2-OD1 3.35Å; N141-T536 PolarHBondContact N-O 3.06Å; N141-T536 VanDerWaalsContact N-O 3.08Å
142L95.2Very high94.7Very high40 Ų4031.2 Ų31.221%0.20917%0.165CC..  trans-117.385.3178.3-168.872.6000110.1V140 C145 A155 R158 T536V140-L142 VanDerWaalsContact C-N 3.25Å; V140-L142 HydrophobicContact CG1-CB 4.3Å; V140-L142 PolarHBondContact O-N 3.19Å; L142-C145 PolarHBondContact O-SG 2.88Å; L142-A155 VanDerWaalsContact CD2-CA 3.49Å; L142-A155 HydrophobicContact CD2-CB 3.49Å; L142-A155 VanDerWaalsContact CD2-CB 3.49Å; L142-R158 HydrophobicContact CD2-CB 4.02Å; L142-R158 HydrophobicContact CD2-CG 4Å; L142-T536 CarbonylContact C-O 3.46Å; L142-T536 PolarHBondContact N-O 3.16Å; L142-T536 CarbonylContact O-C 3.47Å; L142-T536 WeakPolarHBondContact O-CB 3.36Å
143P93Very high94.5Very high64 Ų6435.7 Ų35.742%0.41619%0.194SC..  trans-72.8168166.433.7-35000110.5N141N141-P143 WeakPolarHBondContact O-CD 3.33Å
144F94.2Very high94.3Very high102 Ų10240.5 Ų40.545%0.44722%0.224SC..  trans59.654.4175-49.6-58.4000112.4Y146 E546 E547 N550F144-Y146 VanDerWaalsContact C-N 3.32Å; F144-E546 HydrophobicContact CE1-CB 4.14Å; F144-E546 HydrophobicContact CZ-CB 4.49Å; F144-E547 WeakPolarHBondContact CA-OE1 3.4Å; F144-E547 VanDerWaalsContact CA-OE2 3.28Å; F144-E547 WeakPolarHBondContact CA-OE2 3.35Å; F144-E547 PolarHBondContact N-OE1 3.32Å; F144-E547 PolarHBondContact N-OE2 3.45Å; F144-N550 WeakPolarHBondContact CB-OD1 3.46Å; F144-N550 HydrophobicContact CD1-CB 3.67Å; F144-N550 HydrophobicContact CE1-CB 4.27Å
145C92.9Very high94.3Very high0 Ų040.4 Ų40.40%022%0.224CC..  trans-83.6-9.4-173.8-79.80000113.7L142 S152 A155 F509 T536 E547L142-C145 PolarHBondContact O-SG 2.88Å; C145-S152 PolarHBondContact O-N 3.13Å; C145-A155 HydrophobicContact CB-CB 4.08Å; C145-F509 HydrophobicContact CB-CD1 4.19Å; C145-F509 HydrophobicContact CB-CE1 3.36Å; C145-F509 HydrophobicContact CB-CE2 4.31Å; C145-F509 HydrophobicContact CB-CZ 3.46Å; C145-F509 VanDerWaalsContact CB-CZ 3.46Å; C145-T536 VanDerWaalsContact SG-CB 3.51Å; C145-E547 PolarHBondContact N-OE1 3.25Å
146Y93.9Very high94.3Very high0 Ų039.6 Ų39.60%022%0.216CC..EExtended strand (participates in β ladder)trans-105.3145.9-178.9-58.2-91.7000111.8F144 Q150 W151 D220 R222 F431 F509 E547 N550 A551F144-Y146 VanDerWaalsContact C-N 3.32Å; Y146-Q150 CarbonylContact C-O 3.55Å; Y146-Q150 VanDerWaalsContact CA-O 3.25Å; Y146-Q150 WeakPolarHBondContact CA-O 3.37Å; Y146-W151 AromaticContact CD1-CD1 3.64Å; Y146-W151 AromaticContact CE1-CD1 3.4Å; Y146-W151 AromaticContact CE1-NE1 3.4Å; Y146-D220 PolarHBondContact OH-OD1 3.1Å; Y146-R222 HydrophobicContact CE1-CG 4.49Å; Y146-F431 HydrophobicContact CD1-CE2 4.15Å; Y146-F431 AromaticContact CD2-CE2 3.8Å; Y146-F431 HydrophobicContact CD2-CE2 3.8Å; Y146-F431 HydrophobicContact CD2-CZ 4.28Å; Y146-F431 AromaticContact CE1-CE2 3.95Å; Y146-F431 HydrophobicContact CE1-CE2 3.95Å; Y146-F431 HydrophobicContact CE1-CZ 4.34Å; Y146-F431 AromaticContact CE2-CE2 3.61Å; Y146-F431 HydrophobicContact CE2-CE2 3.61Å; Y146-F431 AromaticContact CE2-CZ 3.65Å; Y146-F431 HydrophobicContact CE2-CZ 3.65Å; Y146-F431 HydrophobicContact CG-CE2 4.09Å; Y146-F431 AromaticContact CZ-CE2 3.69Å; Y146-F431 AromaticContact CZ-CZ 3.69Å; Y146-F509 HydrophobicContact CE1-CE1 4.5Å; Y146-F509 PolarHBondContact OH-O 3.44Å; Y146-E547 HydrophobicContact CD2-CG 4.24Å; Y146-E547 VanDerWaalsContact CD2-OE1 3.3Å; Y146-E547 WeakPolarHBondContact CD2-OE1 3.41Å; Y146-E547 HydrophobicContact CE2-CG 4.37Å; Y146-N550 PolarHBondContact O-OD1 3.14Å; Y146-A551 VanDerWaalsContact CB-CB 3.41Å; Y146-A551 HydrophobicContact CD2-CB 4.13Å; Y146-A551 HydrophobicContact CG-CB 3.89Å
147Q90.3Very high94.2Very high120 Ų12045.6 Ų45.656%0.56124%0.242SC*.EExtended strand (participates in β ladder)trans-136.2113.4171.9-70.3177.5-8.200107.9L149 Q150 S152Q147-L149 VanDerWaalsContact C-N 3.29Å; Q147-L149 PolarHBondContact O-N 3.4Å; Q147-Q150 PolarHBondContact N-O 3.42Å; Q147-Q150 PolarHBondContact O-N 2.69Å; Q147-S152 VanDerWaalsContact CD-CB 3.5Å
148G91.6Very high94.1Very high24 Ų2446.4 Ų46.425%0.24725%0.245CC..THydrogen-bonded Turntrans54.744.7-177.600000113Q150 A551G148-Q150 PolarHBondContact O-N 2.91Å; G148-Q150 VanDerWaalsContact O-N 3.08Å; G148-A551 CarbonylContact C-O 3.36Å; G148-A551 PolarHBondContact N-O 2.87Å
149L92.4Very high94.1Very high18 Ų1846.4 Ų46.49%0.09425%0.245CC..THydrogen-bonded Turntrans62.45.3-176.4-62.9170.9000115.9Q147 R222 E430 F431 A551 T552 A555Q147-L149 VanDerWaalsContact C-N 3.29Å; Q147-L149 PolarHBondContact O-N 3.4Å; L149-R222 PolarHBondContact O-NH1 2.96Å; L149-E430 HydrophobicContact CD1-CG 3.67Å; L149-E430 VanDerWaalsContact CD1-OE1 3.31Å; L149-E430 WeakPolarHBondContact CD1-OE1 3.43Å; L149-F431 HydrophobicContact CD2-CB 4.42Å; L149-F431 HydrophobicContact CD2-CD2 4.11Å; L149-A551 HydrophobicContact CD2-CB 4.41Å; L149-A551 PolarHBondContact N-O 3.4Å; L149-T552 HydrophobicContact CD2-CG2 3.82Å; L149-T552 HydrophobicContact CG-CG2 4.39Å; L149-A555 HydrophobicContact CD1-CB 3.88Å; L149-A555 HydrophobicContact CG-CB 4.08Å
150Q91.7Very high94Very high117 Ų11747.2 Ų47.255%0.54725%0.25SC..EExtended strand (participates in β ladder)trans-100.9151.1170.6-59.8-56.7-3700109.7Y146 Q147 G148Y146-Q150 CarbonylContact C-O 3.55Å; Y146-Q150 VanDerWaalsContact CA-O 3.25Å; Y146-Q150 WeakPolarHBondContact CA-O 3.37Å; Q147-Q150 PolarHBondContact N-O 3.42Å; Q147-Q150 PolarHBondContact O-N 2.69Å; G148-Q150 PolarHBondContact O-N 2.91Å; G148-Q150 VanDerWaalsContact O-N 3.08Å
151W89.3Confident94Very high10 Ų1048.9 Ų48.94%0.03826%0.261CS..EExtended strand (participates in β ladder)trans-69.1137173-6719000109.2Y146 L156 A184 A185 V188 I218 D220 F509Y146-W151 AromaticContact CD1-CD1 3.64Å; Y146-W151 AromaticContact CE1-CD1 3.4Å; Y146-W151 AromaticContact CE1-NE1 3.4Å; W151-L156 HydrophobicContact CB-CD1 4.26Å; W151-L156 HydrophobicContact CB-CD2 4.26Å; W151-L156 HydrophobicContact CB-CG 4.01Å; W151-L156 HydrophobicContact CD2-CD2 4.32Å; W151-L156 HydrophobicContact CE3-CD2 3.41Å; W151-L156 VanDerWaalsContact CE3-CD2 3.41Å; W151-L156 HydrophobicContact CE3-CG 4.21Å; W151-L156 HydrophobicContact CZ3-CD2 4.04Å; W151-A184 HydrophobicContact CB-CB 3.65Å; W151-A184 HydrophobicContact CD2-CB 3.04Å; W151-A184 VanDerWaalsContact CE2-CB 3.42Å; W151-A184 HydrophobicContact CE3-CB 3.45Å; W151-A184 VanDerWaalsContact CE3-CB 3.45Å; W151-A184 HydrophobicContact CG-CB 3.17Å; W151-A184 HydrophobicContact CH2-CB 4.31Å; W151-A184 HydrophobicContact CZ2-CB 4.04Å; W151-A184 HydrophobicContact CZ3-CB 4.06Å; W151-A185 HydrophobicContact CH2-CB 4.02Å; W151-A185 HydrophobicContact CZ2-CB 4.38Å; W151-V188 HydrophobicContact CE3-CG2 4.23Å; W151-V188 HydrophobicContact CZ3-CG2 3.67Å; W151-I218 HydrophobicContact CH2-CG2 4.46Å; W151-D220 HydrophobicContact CZ2-CB 3.81Å; W151-D220 WeakPolarHBondContact CZ2-OD2 3.25Å; W151-D220 PolarHBondContact NE1-OD2 3.44Å; W151-F509 HydrophobicContact CB-CE1 3.74Å; W151-F509 HydrophobicContact CB-CZ 3.69Å; W151-F509 AromaticContact CD1-CD1 3.89Å; W151-F509 AromaticContact CD1-CE1 3.55Å; W151-F509 HydrophobicContact CD2-CB 4.34Å; W151-F509 AromaticContact CD2-CD1 3.07Å; W151-F509 HydrophobicContact CD2-CD1 3.07Å; W151-F509 AromaticContact CD2-CD2 3.87Å; W151-F509 HydrophobicContact CD2-CD2 3.87Å; W151-F509 AromaticContact CD2-CE1 2.97Å; W151-F509 HydrophobicContact CD2-CE1 2.97Å; W151-F509 AromaticContact CD2-CE2 3.79Å; W151-F509 HydrophobicContact CD2-CE2 3.79Å; W151-F509 AromaticContact CD2-CG 3.51Å; W151-F509 HydrophobicContact CD2-CG 3.51Å; W151-F509 AromaticContact CD2-CZ 3.34Å; W151-F509 HydrophobicContact CD2-CZ 3.34Å; W151-F509 AromaticContact CE2-CD1 3.05Å; W151-F509 AromaticContact CE2-CE1 3.46Å; W151-F509 VanDerWaalsContact CE2-CE1 3.46Å; W151-F509 AromaticContact CE2-CG 3.54Å; W151-F509 HydrophobicContact CE3-CB 4.06Å; W151-F509 AromaticContact CE3-CD1 3.37Å; W151-F509 HydrophobicContact CE3-CD1 3.37Å; W151-F509 AromaticContact CE3-CD2 3.18Å; W151-F509 HydrophobicContact CE3-CD2 3.18Å; W151-F509 AromaticContact CE3-CE1 3.36Å; W151-F509 HydrophobicContact CE3-CE1 3.36Å; W151-F509 AromaticContact CE3-CE2 3.18Å; W151-F509 HydrophobicContact CE3-CE2 3.18Å; W151-F509 AromaticContact CE3-CG 3.25Å; W151-F509 HydrophobicContact CE3-CG 3.25Å; W151-F509 AromaticContact CE3-CZ 3.24Å; W151-F509 HydrophobicContact CE3-CZ 3.24Å; W151-F509 AromaticContact CG-CD1 3.7Å; W151-F509 HydrophobicContact CG-CD1 3.7Å; W151-F509 AromaticContact CG-CE1 3.13Å; W151-F509 HydrophobicContact CG-CE1 3.13Å; W151-F509 HydrophobicContact CG-CE2 4.42Å; W151-F509 AromaticContact CG-CZ 3.54Å; W151-F509 HydrophobicContact CG-CZ 3.54Å; W151-F509 HydrophobicContact CH2-CB 3.02Å; W151-F509 AromaticContact CH2-CD1 3.75Å; W151-F509 HydrophobicContact CH2-CD1 3.75Å; W151-F509 AromaticContact CH2-CD2 3.76Å; W151-F509 HydrophobicContact CH2-CD2 3.76Å; W151-F509 AromaticContact CH2-CG 3.24Å; W151-F509 HydrophobicContact CH2-CG 3.24Å; W151-F509 HydrophobicContact CZ2-CB 3.31Å; W151-F509 AromaticContact CZ2-CD1 3.42Å; W151-F509 HydrophobicContact CZ2-CD1 3.42Å; W151-F509 VanDerWaalsContact CZ2-CD1 3.42Å; W151-F509 HydrophobicContact CZ2-CD2 4.31Å; W151-F509 HydrophobicContact CZ2-CE1 4.24Å; W151-F509 AromaticContact CZ2-CG 3.43Å; W151-F509 HydrophobicContact CZ2-CG 3.43Å; W151-F509 VanDerWaalsContact CZ2-CG 3.43Å; W151-F509 HydrophobicContact CZ3-CB 3.43Å; W151-F509 VanDerWaalsContact CZ3-CB 3.43Å; W151-F509 AromaticContact CZ3-CD1 3.7Å; W151-F509 HydrophobicContact CZ3-CD1 3.7Å; W151-F509 AromaticContact CZ3-CD2 3.12Å; W151-F509 HydrophobicContact CZ3-CD2 3.12Å; W151-F509 HydrophobicContact CZ3-CE1 4.15Å; W151-F509 AromaticContact CZ3-CE2 3.65Å; W151-F509 HydrophobicContact CZ3-CE2 3.65Å; W151-F509 AromaticContact CZ3-CG 3.12Å; W151-F509 HydrophobicContact CZ3-CG 3.12Å; W151-F509 HydrophobicContact CZ3-CZ 4.11Å; W151-F509 AromaticContact NE1-CD1 3.52Å; W151-F509 AromaticContact NE1-CE1 3.71Å
152S93Very high94Very high8 Ų845.9 Ų45.96%0.05625%0.245CC..PPolyproline II helixtrans-66.2140.5178.787.90000110.3C145 Q147 T154 A155 L156C145-S152 PolarHBondContact O-N 3.13Å; Q147-S152 VanDerWaalsContact CD-CB 3.5Å; S152-T154 PolarHBondContact O-N 2.87Å; S152-A155 PolarHBondContact O-N 3.19Å; S152-A155 WeakPolarHBondContact OG-CB 3.4Å; S152-A155 PolarHBondContact OG-N 3.41Å; S152-L156 PolarHBondContact O-N 2.91Å
153P93.8Very high94.2Very high94 Ų9444 Ų4461%0.6124%0.235SC*.Hα-helixtrans-56.4-36.2176.6-27.335.4000113.1K157P153-K157 PolarHBondContact O-N 3.48Å; P153-K157 VanDerWaalsContact O-N 3.08Å
154T92.9Very high94.3Very high106 Ų10641 Ų4165%0.6522%0.216SC*.Hα-helixtrans-64.4-42.9176.1-53.70000111.3S152 K157 R158S152-T154 PolarHBondContact O-N 2.87Å; T154-K157 PolarHBondContact O-N 3.39Å; T154-R158 WeakPolarHBondContact O-CB 3.47Å; T154-R158 PolarHBondContact O-N 3.05Å
155A94.6Very high94.4Very high1 Ų136.2 Ų36.21%0.00820%0.195CC..Hα-helixtrans-67.6-42.3178.200000112.3L142 C145 S152 K157 R158 S159 F509L142-A155 VanDerWaalsContact CD2-CA 3.49Å; L142-A155 HydrophobicContact CD2-CB 3.49Å; L142-A155 VanDerWaalsContact CD2-CB 3.49Å; C145-A155 HydrophobicContact CB-CB 4.08Å; S152-A155 PolarHBondContact O-N 3.19Å; S152-A155 WeakPolarHBondContact OG-CB 3.4Å; S152-A155 PolarHBondContact OG-N 3.41Å; A155-K157 PolarHBondContact O-N 2.97Å; A155-R158 PolarHBondContact O-N 3.28Å; A155-S159 WeakPolarHBondContact O-CB 3.44Å; A155-S159 PolarHBondContact O-N 3.47Å; A155-S159 PolarHBondContact O-OG 3.49Å; A155-S159 VanDerWaalsContact O-OG 3.05Å; A155-F509 HydrophobicContact CB-CE2 3.88Å; A155-F509 HydrophobicContact CB-CZ 3.61Å
156L95.6Very high94.6Very high30 Ų3036.2 Ų36.216%0.15720%0.195CC..Hα-helixtrans-53.3-52.7172.7-76.7166.8000111.6W151 S152 R158 S159 V160 A184 V187 V188W151-L156 HydrophobicContact CB-CD1 4.26Å; W151-L156 HydrophobicContact CB-CD2 4.26Å; W151-L156 HydrophobicContact CB-CG 4.01Å; W151-L156 HydrophobicContact CD2-CD2 4.32Å; W151-L156 HydrophobicContact CE3-CD2 3.41Å; W151-L156 VanDerWaalsContact CE3-CD2 3.41Å; W151-L156 HydrophobicContact CE3-CG 4.21Å; W151-L156 HydrophobicContact CZ3-CD2 4.04Å; S152-L156 PolarHBondContact O-N 2.91Å; L156-R158 PolarHBondContact O-N 2.85Å; L156-S159 PolarHBondContact O-N 3.33Å; L156-V160 WeakPolarHBondContact O-CG2 3.42Å; L156-V160 PolarHBondContact O-N 3.19Å; L156-A184 HydrophobicContact CD2-CB 4.16Å; L156-V187 HydrophobicContact CD1-CG1 4.36Å; L156-V187 HydrophobicContact CD2-CB 4.43Å; L156-V187 HydrophobicContact CD2-CG1 4.21Å; L156-V188 HydrophobicContact CD2-CG2 3.39Å
157K95.2Very high94.7Very high157 Ų15736.2 Ų36.268%0.68320%0.195SC*.Hα-helixtrans-61-45.7178.8-174.3-180177.7-175.40111.6P153 T154 A155 S159 V160 C161P153-K157 PolarHBondContact O-N 3.48Å; P153-K157 VanDerWaalsContact O-N 3.08Å; T154-K157 PolarHBondContact O-N 3.39Å; A155-K157 PolarHBondContact O-N 2.97Å; K157-S159 VanDerWaalsContact C-N 3.34Å; K157-S159 PolarHBondContact O-N 3.32Å; K157-V160 PolarHBondContact O-N 3.3Å; K157-C161 PolarHBondContact O-N 3.48Å; K157-C161 PolarHBondContact O-SG 3.38Å; K157-C161 VanDerWaalsContact O-SG 3.39Å
158R96Very high94.9Very high18 Ų1830.9 Ų30.97%0.06817%0.171CC..Hα-helixtrans-62.6-39.4179.7179.862.9-175.297.6-6.8112.3E30 D129 V140 L142 T154 A155 L156 C161 A162E30-R158 IonicContact OE1-CZ 3.8Å; E30-R158 IonicContact OE1-NE 3.4Å; E30-R158 PolarHBondContact OE1-NE 3.42Å; E30-R158 VanDerWaalsContact OE1-NE 3.16Å; E30-R158 IonicContact OE1-NH2 3.75Å; E30-R158 PolarHBondContact OE1-NH2 2.88Å; D129-R158 PolarHBondContact O-NH1 3.16Å; D129-R158 PolarHBondContact O-NH2 3.13Å; D129-R158 IonicContact OD1-CZ 3.66Å; D129-R158 IonicContact OD1-NH1 2.7Å; D129-R158 IonicContact OD1-NH2 3.56Å; D129-R158 PolarHBondContact OD1-NH2 2.9Å; D129-R158 IonicContact OD2-CZ 3.9Å; D129-R158 IonicContact OD2-NH1 3.99Å; D129-R158 PolarHBondContact OD2-NH1 3.26Å; V140-R158 HydrophobicContact CG1-CG 3.7Å; L142-R158 HydrophobicContact CD2-CB 4.02Å; L142-R158 HydrophobicContact CD2-CG 4Å; T154-R158 WeakPolarHBondContact O-CB 3.47Å; T154-R158 PolarHBondContact O-N 3.05Å; A155-R158 PolarHBondContact O-N 3.28Å; L156-R158 PolarHBondContact O-N 2.85Å; R158-C161 PolarHBondContact O-N 3.06Å; R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.3Å
159S97.1Very high95Very high0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-65.8-42175.7-64.80000112.1A155 L156 K157 C161 A162 L163 F509A155-S159 WeakPolarHBondContact O-CB 3.44Å; A155-S159 PolarHBondContact O-N 3.47Å; A155-S159 PolarHBondContact O-OG 3.49Å; A155-S159 VanDerWaalsContact O-OG 3.05Å; L156-S159 PolarHBondContact O-N 3.33Å; K157-S159 VanDerWaalsContact C-N 3.34Å; K157-S159 PolarHBondContact O-N 3.32Å; S159-C161 VanDerWaalsContact C-N 3.35Å; S159-C161 PolarHBondContact O-N 3.43Å; S159-A162 PolarHBondContact O-N 3.45Å; S159-L163 WeakPolarHBondContact O-CB 3.41Å; S159-L163 VanDerWaalsContact O-CG 3.29Å; S159-L163 WeakPolarHBondContact O-CG 3.49Å; S159-L163 PolarHBondContact O-N 3.35Å; S159-F509 WeakPolarHBondContact OG-CD2 3.36Å; S159-F509 WeakPolarHBondContact OG-CE2 3.44Å
160V97.5Very high95Very high17 Ų1729.1 Ų29.110%0.10316%0.156CC..Hα-helixtrans-60.4-45.7174.6174.30000110.7L156 K157 L163 A164 V188 L192 L195L156-V160 WeakPolarHBondContact O-CG2 3.42Å; L156-V160 PolarHBondContact O-N 3.19Å; K157-V160 PolarHBondContact O-N 3.3Å; V160-L163 PolarHBondContact O-N 3Å; V160-A164 VanDerWaalsContact O-CB 3.31Å; V160-A164 WeakPolarHBondContact O-CB 3.3Å; V160-A164 PolarHBondContact O-N 2.89Å; V160-V188 HydrophobicContact CG2-CB 4.4Å; V160-V188 HydrophobicContact CG2-CG1 3.96Å; V160-V188 HydrophobicContact CG2-CG2 4.46Å; V160-L192 HydrophobicContact CG1-CB 4.37Å; V160-L192 HydrophobicContact CG1-CD1 4.42Å; V160-L195 HydrophobicContact CG1-CD2 4.05Å
161C96.7Very high95Very high37 Ų3730.6 Ų30.625%0.2516%0.156CC..Hα-helixtrans-59.8-46.7175.8-69.70000112.5N101 K157 R158 S159 S165N101-C161 PolarHBondContact ND2-O 2.76Å; K157-C161 PolarHBondContact O-N 3.48Å; K157-C161 PolarHBondContact O-SG 3.38Å; K157-C161 VanDerWaalsContact O-SG 3.39Å; R158-C161 PolarHBondContact O-N 3.06Å; S159-C161 VanDerWaalsContact C-N 3.35Å; S159-C161 PolarHBondContact O-N 3.43Å; C161-S165 WeakPolarHBondContact O-CB 3.12Å; C161-S165 PolarHBondContact O-N 3.45Å
162A97.9Very high95Very high0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-61.1-48.7178.200000111.6V140 R158 S159 S165 V166V140-A162 HydrophobicContact CB-CB 4.42Å; V140-A162 HydrophobicContact CG1-CB 3.94Å; V140-A162 HydrophobicContact CG2-CB 3.57Å; R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.3Å; S159-A162 PolarHBondContact O-N 3.45Å; A162-S165 WeakPolarHBondContact O-CB 3.32Å; A162-S165 PolarHBondContact O-N 3.33Å; A162-V166 WeakPolarHBondContact O-CG2 3.39Å; A162-V166 PolarHBondContact O-N 3.01Å
163L98Very high94.8Very high1 Ų134.3 Ų34.31%0.00518%0.175CC..Hα-helixtrans-64.1-44.4-179-72.2171.7000111.3F138 S159 V160 S165 V166 L167 V188 L192 L216 I218 F507F138-L163 HydrophobicContact CZ-CD2 4.24Å; S159-L163 WeakPolarHBondContact O-CB 3.41Å; S159-L163 VanDerWaalsContact O-CG 3.29Å; S159-L163 WeakPolarHBondContact O-CG 3.49Å; S159-L163 PolarHBondContact O-N 3.35Å; V160-L163 PolarHBondContact O-N 3Å; L163-S165 VanDerWaalsContact C-N 3.26Å; L163-S165 PolarHBondContact O-N 3.06Å; L163-V166 PolarHBondContact O-N 3.26Å; L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 3.17Å; L163-V188 HydrophobicContact CD1-CG1 3.72Å; L163-L192 HydrophobicContact CB-CD1 4.42Å; L163-L192 HydrophobicContact CB-CD2 3.76Å; L163-L192 HydrophobicContact CD1-CD2 4.2Å; L163-L216 HydrophobicContact CD1-CD2 4.45Å; L163-L216 HydrophobicContact CD2-CD1 4.11Å; L163-I218 HydrophobicContact CD1-CD1 4.4Å; L163-F507 HydrophobicContact CD1-CD1 3.97Å; L163-F507 HydrophobicContact CD1-CE1 4.38Å; L163-F507 HydrophobicContact CD1-CG 4.16Å; L163-F507 HydrophobicContact CD2-CB 3.87Å; L163-F507 HydrophobicContact CD2-CD1 4.4Å; L163-F507 HydrophobicContact CD2-CD2 3.84Å; L163-F507 HydrophobicContact CD2-CG 3.77Å; L163-F507 HydrophobicContact CG-CD1 4.48Å; L163-F507 HydrophobicContact CG-CD2 4.45Å; L163-F507 HydrophobicContact CG-CG 4.31Å
164A96.3Very high94.7Very high2 Ų230.1 Ų30.12%0.01715%0.148CC..Hα-helixtrans-55.1-45.6173.200000111.4V160 L167 L168 L192 L195 F203V160-A164 VanDerWaalsContact O-CB 3.31Å; V160-A164 WeakPolarHBondContact O-CB 3.3Å; V160-A164 PolarHBondContact O-N 2.89Å; A164-L167 PolarHBondContact O-N 2.89Å; A164-L168 WeakPolarHBondContact O-CB 3.45Å; A164-L168 VanDerWaalsContact O-CG 3.27Å; A164-L168 WeakPolarHBondContact O-CG 3.17Å; A164-L168 PolarHBondContact O-N 2.87Å; A164-L192 HydrophobicContact CB-CD1 3.88Å; A164-L195 HydrophobicContact CB-CD2 3.66Å; A164-F203 HydrophobicContact CB-CZ 4.16Å
165S96.7Very high94.7Very high0 Ų025.3 Ų25.30%012%0.118CC..Hα-helixtrans-62.5-43.8176.2162.20000112.7Y127 A128 D129 F130 C161 A162 L163 L167 L168 A169Y127-S165 PolarHBondContact O-OG 3.45Å; A128-S165 PolarHBondContact N-OG 3.39Å; D129-S165 PolarHBondContact N-OG 2.95Å; F130-S165 WeakPolarHBondContact CD1-OG 3.37Å; C161-S165 WeakPolarHBondContact O-CB 3.12Å; C161-S165 PolarHBondContact O-N 3.45Å; A162-S165 WeakPolarHBondContact O-CB 3.32Å; A162-S165 PolarHBondContact O-N 3.33Å; L163-S165 VanDerWaalsContact C-N 3.26Å; L163-S165 PolarHBondContact O-N 3.06Å; S165-L167 PolarHBondContact O-N 3.31Å; S165-L168 PolarHBondContact O-N 2.96Å; S165-A169 WeakPolarHBondContact O-CB 3.47Å; S165-A169 PolarHBondContact O-N 2.93Å
166V97.1Very high94.8Very high0 Ų025.2 Ų25.20%012%0.117CC..Hα-helixtrans-59.2-46.8175.9170.50000111L3 F130 F138 A162 L163 L168 A169 L170 I505L3-V166 HydrophobicContact CD2-CG1 4.11Å; F130-V166 HydrophobicContact CB-CG2 4.07Å; F130-V166 HydrophobicContact CD1-CB 4.27Å; F130-V166 HydrophobicContact CD1-CG2 3.31Å; F130-V166 HydrophobicContact CD2-CG2 4.06Å; F130-V166 HydrophobicContact CE1-CB 4.23Å; F130-V166 HydrophobicContact CE1-CG2 3.65Å; F130-V166 HydrophobicContact CE2-CG2 4.34Å; F130-V166 HydrophobicContact CG-CG2 3.53Å; F130-V166 HydrophobicContact CZ-CG2 4.14Å; F138-V166 HydrophobicContact CD1-CG2 4.46Å; F138-V166 HydrophobicContact CD2-CG2 4.03Å; F138-V166 HydrophobicContact CE1-CG1 4.26Å; F138-V166 HydrophobicContact CE1-CG2 4.2Å; F138-V166 HydrophobicContact CE2-CG2 3.75Å; F138-V166 HydrophobicContact CG-CG2 4.37Å; F138-V166 HydrophobicContact CZ-CG1 4.42Å; F138-V166 HydrophobicContact CZ-CG2 3.83Å; A162-V166 WeakPolarHBondContact O-CG2 3.39Å; A162-V166 PolarHBondContact O-N 3.01Å; L163-V166 PolarHBondContact O-N 3.26Å; V166-L168 PolarHBondContact O-N 2.67Å; V166-A169 PolarHBondContact O-N 3.46Å; V166-L170 HydrophobicContact CG1-CD1 3.81Å; V166-L170 HydrophobicContact CG1-CG 4.41Å; V166-L170 WeakPolarHBondContact O-CB 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.21Å; V166-L170 PolarHBondContact O-N 3.11Å; V166-I505 HydrophobicContact CG1-CD1 4.48Å
167L95Very high94.9Very high1 Ų124 Ų241%0.00511%0.111CC..Hα-helixtrans-63-41.7-179.4-65.8-175.2000112.1L163 A164 S165 R171 R172 V174 L192 M196 F203 I505L163-L167 VanDerWaalsContact O-CG 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.32Å; L163-L167 PolarHBondContact O-N 3.17Å; A164-L167 PolarHBondContact O-N 2.89Å; S165-L167 PolarHBondContact O-N 3.31Å; L167-R171 CarbonylContact O-C 3.6Å; L167-R171 WeakPolarHBondContact O-CA 3.3Å; L167-R171 PolarHBondContact O-N 2.72Å; L167-R172 HydrophobicContact CD2-CB 4.41Å; L167-R172 PolarHBondContact O-N 2.9Å; L167-V174 HydrophobicContact CD1-CG1 4.47Å; L167-V174 HydrophobicContact CD1-CG2 3.62Å; L167-V174 HydrophobicContact CD2-CB 4.45Å; L167-V174 HydrophobicContact CD2-CG1 3.47Å; L167-V174 VanDerWaalsContact CD2-CG1 3.47Å; L167-V174 HydrophobicContact CD2-CG2 4.1Å; L167-L192 HydrophobicContact CD1-CD2 4.14Å; L167-M196 HydrophobicContact CD1-CE 4.31Å; L167-M196 HydrophobicContact CD1-SD 3.98Å; L167-F203 HydrophobicContact CB-CE1 4.11Å; L167-F203 HydrophobicContact CD1-CE1 4.47Å; L167-I505 HydrophobicContact CD2-CD1 3.69Å
168L94Very high95Very high8 Ų817.9 Ų17.94%0.0428%0.083CC..Hα-helixtrans-71.3-42.9178.4-69.2170.4000112.1Y127 A164 S165 V166 L170 R171 L202 F203Y127-L168 HydrophobicContact CD1-CB 4.23Å; Y127-L168 HydrophobicContact CD1-CD1 3.42Å; Y127-L168 VanDerWaalsContact CD1-CD1 3.42Å; Y127-L168 HydrophobicContact CD1-CG 4.46Å; Y127-L168 HydrophobicContact CD2-CB 3.7Å; Y127-L168 HydrophobicContact CD2-CD1 4.06Å; Y127-L168 HydrophobicContact CD2-CG 4.41Å; Y127-L168 HydrophobicContact CE1-CD1 3.68Å; Y127-L168 HydrophobicContact CE2-CB 4.49Å; Y127-L168 HydrophobicContact CE2-CD1 4.27Å; Y127-L168 HydrophobicContact CG-CB 3.56Å; Y127-L168 HydrophobicContact CG-CD1 3.66Å; Y127-L168 HydrophobicContact CG-CG 4.25Å; A164-L168 WeakPolarHBondContact O-CB 3.45Å; A164-L168 VanDerWaalsContact O-CG 3.27Å; A164-L168 WeakPolarHBondContact O-CG 3.17Å; A164-L168 PolarHBondContact O-N 2.87Å; S165-L168 PolarHBondContact O-N 2.96Å; V166-L168 PolarHBondContact O-N 2.67Å; L168-L170 PolarHBondContact O-N 2.84Å; L168-R171 PolarHBondContact O-N 3.38Å; L168-R171 VanDerWaalsContact O-N 3.08Å; L168-L202 HydrophobicContact CD1-CD2 3.6Å; L168-L202 HydrophobicContact CD1-CG 4.14Å; L168-L202 HydrophobicContact CD2-CD2 4.14Å; L168-L202 HydrophobicContact CD2-CG 3.75Å; L168-F203 HydrophobicContact CD1-CE1 4.27Å; L168-F203 HydrophobicContact CD1-CE2 4.38Å; L168-F203 HydrophobicContact CD1-CZ 3.96Å; L168-F203 HydrophobicContact CD2-CD1 3.66Å; L168-F203 HydrophobicContact CD2-CD2 4.29Å; L168-F203 HydrophobicContact CD2-CE1 3.73Å; L168-F203 HydrophobicContact CD2-CE2 4.35Å; L168-F203 HydrophobicContact CD2-CG 3.97Å; L168-F203 HydrophobicContact CD2-CZ 4.08Å; L168-F203 HydrophobicContact CG-CD1 4.15Å; L168-F203 HydrophobicContact CG-CE1 3.68Å; L168-F203 HydrophobicContact CG-CZ 3.91Å
169A94.5Very high95Very high2 Ų217.2 Ų17.22%0.0178%0.081CC..Hα-helixtrans-59.7-45.9176.300000112.1A6 Y10 Y127 F130 S165 V166 R171A6-A169 HydrophobicContact CB-CB 4.03Å; Y10-A169 HydrophobicContact CE2-CB 3.8Å; Y127-A169 WeakPolarHBondContact O-CB 3.4Å; F130-A169 HydrophobicContact CE1-CB 3.91Å; F130-A169 HydrophobicContact CZ-CB 4.1Å; S165-A169 WeakPolarHBondContact O-CB 3.47Å; S165-A169 PolarHBondContact O-N 2.93Å; V166-A169 PolarHBondContact O-N 3.46Å; A169-R171 PolarHBondContact O-N 2.74Å
170L93.1Very high94.9Very high2 Ų219.4 Ų19.41%0.0110%0.099CC..THydrogen-bonded Turntrans-81.4-5.4177.2-62.9179.9000112.9L3 A6 V166 L168 R172 I505 I532L3-L170 HydrophobicContact CD2-CD1 3.88Å; L3-L170 HydrophobicContact CD2-CD2 4.21Å; L3-L170 HydrophobicContact CD2-CG 4.22Å; A6-L170 HydrophobicContact CB-CD2 4.46Å; V166-L170 HydrophobicContact CG1-CD1 3.81Å; V166-L170 HydrophobicContact CG1-CG 4.41Å; V166-L170 WeakPolarHBondContact O-CB 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.21Å; V166-L170 PolarHBondContact O-N 3.11Å; L168-L170 PolarHBondContact O-N 2.84Å; L170-R172 HydrophobicContact CB-CG 3.78Å; L170-R172 PolarHBondContact O-N 3.25Å; L170-R172 PolarHBondContact O-NH1 2.77Å; L170-I505 HydrophobicContact CD1-CD1 4.29Å; L170-I532 HydrophobicContact CD1-CD1 3.52Å
171R91.5Very high94.7Very high149 Ų14921.5 Ų21.556%0.56212%0.115SC*.THydrogen-bonded Turntrans56.647-179.7-69-175.5-172.8-173.12113L167 L168 A169 S206L167-R171 CarbonylContact O-C 3.6Å; L167-R171 WeakPolarHBondContact O-CA 3.3Å; L167-R171 PolarHBondContact O-N 2.72Å; L168-R171 PolarHBondContact O-N 3.38Å; L168-R171 VanDerWaalsContact O-N 3.08Å; A169-R171 PolarHBondContact O-N 2.74Å; R171-S206 WeakPolarHBondContact CB-O 3.45Å; R171-S206 WeakPolarHBondContact CD-O 3.47Å; R171-S206 WeakPolarHBondContact CG-O 3.4Å
172R88.7Confident94.5Very high57 Ų5719.8 Ų19.822%0.21510%0.103CC..  trans-109.9126.3-175.7-62.4-55.4-166.9-103.5-3.5112.3L167 L170 V174 T214 E503L167-R172 HydrophobicContact CD2-CB 4.41Å; L167-R172 PolarHBondContact O-N 2.9Å; L170-R172 HydrophobicContact CB-CG 3.78Å; L170-R172 PolarHBondContact O-N 3.25Å; L170-R172 PolarHBondContact O-NH1 2.77Å; R172-V174 HydrophobicContact CB-CG1 4.09Å; R172-T214 HydrophobicContact CB-CG2 4.36Å; R172-T214 HydrophobicContact CG-CG2 4.42Å; R172-E503 WeakPolarHBondContact CD-OE2 3.35Å; R172-E503 IonicContact CZ-OE1 3.62Å; R172-E503 IonicContact CZ-OE2 2.86Å; R172-E503 IonicContact NE-OE1 2.72Å; R172-E503 IonicContact NE-OE2 2.73Å; R172-E503 PolarHBondContact NE-OE2 3.06Å; R172-E503 IonicContact NH2-OE1 3.83Å; R172-E503 PolarHBondContact NH2-OE1 3.33Å; R172-E503 IonicContact NH2-OE2 2.72Å
173S87.7Confident94.2Very high38 Ų3824.5 Ų24.527%0.26613%0.128SC..  trans-87.7126160.6-1800000108.7
174V92.1Very high93.9Very high7 Ų724.8 Ų24.84%0.04213%0.13CC..EExtended strand (participates in β ladder)trans-121.6147.6-172.5-56.90000113.1L167 R172 I176 M196 T214 L216L167-V174 HydrophobicContact CD1-CG1 4.47Å; L167-V174 HydrophobicContact CD1-CG2 3.62Å; L167-V174 HydrophobicContact CD2-CB 4.45Å; L167-V174 HydrophobicContact CD2-CG1 3.47Å; L167-V174 VanDerWaalsContact CD2-CG1 3.47Å; L167-V174 HydrophobicContact CD2-CG2 4.1Å; R172-V174 HydrophobicContact CB-CG1 4.09Å; V174-I176 HydrophobicContact CG2-CD1 4.45Å; V174-I176 HydrophobicContact CG2-CG1 3.87Å; V174-M196 HydrophobicContact CG2-CE 3.94Å; V174-M196 HydrophobicContact CG2-SD 4.3Å; V174-T214 VanDerWaalsContact CA-O 3.31Å; V174-T214 WeakPolarHBondContact CA-O 3.45Å; V174-T214 HydrophobicContact CG1-CG2 3.63Å; V174-L216 HydrophobicContact CB-CB 4.25Å; V174-L216 HydrophobicContact CG2-CB 4.05Å
175T93.5Very high93.8Very high4 Ų424.7 Ų24.73%0.02513%0.13CC..EExtended strand (participates in β ladder)trans-90138.1154.8-172.40000108.9T214 L215 L216 Y491 S496 P498T175-T214 PolarHBondContact N-O 2.97Å; T175-T214 VanDerWaalsContact N-O 3.09Å; T175-L215 HydrophobicContact CG2-CB 4.05Å; T175-L215 HydrophobicContact CG2-CD1 4.15Å; T175-L215 HydrophobicContact CG2-CG 4.09Å; T175-L215 CarbonylContact O-C 3.54Å; T175-L215 WeakPolarHBondContact O-CA 3.3Å; T175-L216 PolarHBondContact O-N 3.03Å; T175-Y491 HydrophobicContact CG2-CE1 4.46Å; T175-S496 WeakPolarHBondContact CB-O 3.31Å; T175-S496 PolarHBondContact OG1-O 3.38Å; T175-P498 HydrophobicContact CG2-CB 4.27Å; T175-P498 HydrophobicContact CG2-CG 4.03Å
176I96.8Very high93.8Very high0 Ų029 Ų290%015%0.146CC..EExtended strand (participates in β ladder)trans-108.9128.8-172.7-52.2175.4000109.1V174 A189 L192 R193 M196 L216 I218 Y491 A492V174-I176 HydrophobicContact CG2-CD1 4.45Å; V174-I176 HydrophobicContact CG2-CG1 3.87Å; I176-A189 HydrophobicContact CG2-CB 3.73Å; I176-L192 HydrophobicContact CD1-CB 4.39Å; I176-L192 HydrophobicContact CD1-CD2 4.08Å; I176-L192 HydrophobicContact CD1-CG 4.15Å; I176-R193 HydrophobicContact CD1-CB 4.23Å; I176-M196 HydrophobicContact CD1-SD 4.07Å; I176-L216 CarbonylContact C-O 3.57Å; I176-L216 WeakPolarHBondContact CA-O 3.31Å; I176-L216 HydrophobicContact CD1-CD2 4.46Å; I176-L216 HydrophobicContact CG1-CB 4.33Å; I176-L216 HydrophobicContact CG1-CD2 4.29Å; I176-L216 HydrophobicContact CG2-CD2 4.33Å; I176-L216 HydrophobicContact CG2-CG 4.39Å; I176-I218 HydrophobicContact CG2-CD1 3.91Å; I176-Y491 CarbonylContact O-C 3.43Å; I176-Y491 WeakPolarHBondContact O-CA 3.4Å; I176-A492 HydrophobicContact CB-CB 3.83Å; I176-A492 HydrophobicContact CG2-CB 4.15Å; I176-A492 PolarHBondContact O-N 3.15Å
177R97.6Very high93.7Very high4 Ų431.5 Ų31.52%0.01516%0.161CC..EExtended strand (participates in β ladder)trans-118.8151.3166.7-64.5-178.374.8168.5-1.2109.6L215 L216 L217 I218 L484 K485 Y489 P490 Y491R177-L215 HydrophobicContact CG-CD1 4.2Å; R177-L216 PolarHBondContact N-O 2.89Å; R177-L217 HydrophobicContact CB-CD1 4.04Å; R177-L217 CarbonylContact O-C 3.48Å; R177-L217 WeakPolarHBondContact O-CA 3.46Å; R177-I218 PolarHBondContact O-N 3.06Å; R177-L484 PolarHBondContact NH1-O 2.81Å; R177-L484 PolarHBondContact NH2-O 3.38Å; R177-K485 PolarHBondContact NH2-O 3.14Å; R177-Y489 PolarHBondContact NE-O 2.84Å; R177-Y489 PolarHBondContact NH2-O 3.42Å; R177-P490 VanDerWaalsContact CA-O 3.24Å; R177-P490 WeakPolarHBondContact CA-O 3.47Å; R177-Y491 HydrophobicContact CG-CD1 3.57Å; R177-Y491 HydrophobicContact CG-CE1 3.56Å; R177-Y491 HydrophobicContact CG-CG 4.22Å
178Y97.6Very high93.8Very high28 Ų2831.5 Ų31.511%0.1116%0.161CC..EExtended strand (participates in β ladder)trans-140.8156.6179.660.7-90.3000111.2A180 R186 A189 I218 Y489 P490Y178-A180 PolarHBondContact O-N 2.96Å; Y178-R186 HydrophobicContact CD2-CB 3.68Å; Y178-R186 HydrophobicContact CD2-CG 4.32Å; Y178-R186 HydrophobicContact CE1-CG 4.29Å; Y178-R186 HydrophobicContact CE2-CB 3.42Å; Y178-R186 VanDerWaalsContact CE2-CB 3.42Å; Y178-R186 HydrophobicContact CE2-CG 3.64Å; Y178-R186 HydrophobicContact CG-CB 4.38Å; Y178-A189 HydrophobicContact CD1-CB 3.57Å; Y178-A189 HydrophobicContact CE1-CB 4.39Å; Y178-A189 HydrophobicContact CG-CB 4.02Å; Y178-I218 CarbonylContact C-O 3.54Å; Y178-I218 VanDerWaalsContact CA-O 3.31Å; Y178-I218 WeakPolarHBondContact CA-O 3.37Å; Y178-Y489 CarbonylContact O-C 3.58Å; Y178-Y489 WeakPolarHBondContact O-CA 3.38Å; Y178-P490 HydrophobicContact CD2-CG 4.16Å; Y178-P490 HydrophobicContact CE1-CG 4.03Å; Y178-P490 HydrophobicContact CE2-CG 3.52Å; Y178-P490 VanDerWaalsContact CZ-CG 3.45Å; Y178-P490 PolarHBondContact N-O 3.41Å; Y178-P490 VanDerWaalsContact O-CD 3.32Å; Y178-P490 WeakPolarHBondContact O-CD 3.37Å
179Q96.2Very high94Very high5 Ų531.1 Ų31.12%0.02316%0.159CC..  trans-67.4115.9174.5-179.5178.3200111.3S181 S182 I218 L219 D220 Y489Q179-S181 VanDerWaalsContact C-N 3.27Å; Q179-S181 WeakPolarHBondContact CG-OG 3.44Å; Q179-S181 PolarHBondContact NE2-OG 3.49Å; Q179-S181 PolarHBondContact O-N 2.91Å; Q179-S182 PolarHBondContact O-N 3.4Å; Q179-I218 PolarHBondContact N-O 2.95Å; Q179-L219 HydrophobicContact CB-CD2 4.23Å; Q179-D220 PolarHBondContact OE1-O 2.62Å; Q179-Y489 HydrophobicContact CB-CD1 4.31Å; Q179-Y489 HydrophobicContact CB-CE1 4.09Å; Q179-Y489 HydrophobicContact CG-CE1 4.24Å
180A95Very high94.2Very high45 Ų4532.8 Ų32.837%0.37217%0.168SC..THydrogen-bonded Turntrans-59.8-33.5-175.700000113.8Y178 S182 S487 S488 P490Y178-A180 PolarHBondContact O-N 2.96Å; A180-S182 PolarHBondContact O-N 3.3Å; A180-S487 WeakPolarHBondContact CB-O 3.36Å; A180-S488 VanDerWaalsContact CB-O 3.32Å; A180-S488 WeakPolarHBondContact CB-O 3.26Å; A180-S488 PolarHBondContact N-O 3.39Å; A180-P490 HydrophobicContact CB-CG 4.17Å
181S92.4Very high94.3Very high62 Ų6235.2 Ų35.243%0.43419%0.185SC..THydrogen-bonded Turntrans-72.7-7.9179.860.40000113.7Q179 W436Q179-S181 VanDerWaalsContact C-N 3.27Å; Q179-S181 WeakPolarHBondContact CG-OG 3.44Å; Q179-S181 PolarHBondContact NE2-OG 3.49Å; Q179-S181 PolarHBondContact O-N 2.91Å; S181-W436 WeakPolarHBondContact O-CZ3 3.29Å
182S93.7Very high94.6Very high0 Ų028.1 Ų28.10%016%0.158CC..  trans-112104.9177.4-178.70000111Q179 A180 A184 A185 R186 D220Q179-S182 PolarHBondContact O-N 3.4Å; A180-S182 PolarHBondContact O-N 3.3Å; S182-A184 PolarHBondContact O-N 3.21Å; S182-A185 PolarHBondContact O-N 3.02Å; S182-A185 PolarHBondContact OG-N 2.79Å; S182-R186 PolarHBondContact O-N 2.58Å; S182-R186 VanDerWaalsContact O-N 3.15Å; S182-D220 WeakPolarHBondContact CB-OD2 3.39Å; S182-D220 PolarHBondContact OG-OD2 2.85Å
183D91.6Very high94.9Very high100 Ų10028.9 Ų28.954%0.53516%0.161SC..Hα-helixtrans-54.6-34.5172.3-90.4-45000112.4R186 V187D183-R186 WeakPolarHBondContact O-CB 3.24Å; D183-R186 PolarHBondContact O-N 3.19Å; D183-R186 IonicContact OD1-CZ 3.75Å; D183-R186 IonicContact OD1-NE 3.17Å; D183-R186 IonicContact OD1-NH2 3.37Å; D183-R186 PolarHBondContact OD1-NH2 2.78Å; D183-V187 VanDerWaalsContact O-CG2 3.31Å; D183-V187 WeakPolarHBondContact O-CG2 3.33Å; D183-V187 PolarHBondContact O-N 2.75Å
184A90Very high95.3Very high6 Ų630.4 Ų30.45%0.0517%0.172CC..Hα-helixtrans-76.8-35.3-177.400000112.2W151 L156 S182 R186 V187 V188W151-A184 HydrophobicContact CB-CB 3.65Å; W151-A184 HydrophobicContact CD2-CB 3.04Å; W151-A184 VanDerWaalsContact CE2-CB 3.42Å; W151-A184 HydrophobicContact CE3-CB 3.45Å; W151-A184 VanDerWaalsContact CE3-CB 3.45Å; W151-A184 HydrophobicContact CG-CB 3.17Å; W151-A184 HydrophobicContact CH2-CB 4.31Å; W151-A184 HydrophobicContact CZ2-CB 4.04Å; W151-A184 HydrophobicContact CZ3-CB 4.06Å; L156-A184 HydrophobicContact CD2-CB 4.16Å; S182-A184 PolarHBondContact O-N 3.21Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 3.25Å; A184-V187 PolarHBondContact O-N 2.88Å; A184-V188 PolarHBondContact O-N 3.29Å
185A95.9Very high95.4Very high0 Ų031.7 Ų31.70%018%0.178CC..Hα-helixtrans-59.4-41.7168.600000111.4W151 S182 V188 A189 I218W151-A185 HydrophobicContact CH2-CB 4.02Å; W151-A185 HydrophobicContact CZ2-CB 4.38Å; S182-A185 PolarHBondContact O-N 3.02Å; S182-A185 PolarHBondContact OG-N 2.79Å; A185-V188 PolarHBondContact O-N 3.19Å; A185-A189 WeakPolarHBondContact O-CB 3.48Å; A185-A189 PolarHBondContact O-N 3.37Å; A185-I218 HydrophobicContact CB-CG2 3.83Å
186R96.4Very high95.3Very high90 Ų9032 Ų3234%0.3418%0.179SC..Hα-helixtrans-60-48.7172.2-179178.25973.31.2111.9Y178 S182 D183 A184 V188 A189 D190Y178-R186 HydrophobicContact CD2-CB 3.68Å; Y178-R186 HydrophobicContact CD2-CG 4.32Å; Y178-R186 HydrophobicContact CE1-CG 4.29Å; Y178-R186 HydrophobicContact CE2-CB 3.42Å; Y178-R186 VanDerWaalsContact CE2-CB 3.42Å; Y178-R186 HydrophobicContact CE2-CG 3.64Å; Y178-R186 HydrophobicContact CG-CB 4.38Å; S182-R186 PolarHBondContact O-N 2.58Å; S182-R186 VanDerWaalsContact O-N 3.15Å; D183-R186 WeakPolarHBondContact O-CB 3.24Å; D183-R186 PolarHBondContact O-N 3.19Å; D183-R186 IonicContact OD1-CZ 3.75Å; D183-R186 IonicContact OD1-NE 3.17Å; D183-R186 IonicContact OD1-NH2 3.37Å; D183-R186 PolarHBondContact OD1-NH2 2.78Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 3.25Å; R186-V188 VanDerWaalsContact C-N 3.35Å; R186-V188 PolarHBondContact O-N 3.35Å; R186-A189 WeakPolarHBondContact O-CB 3.34Å; R186-A189 PolarHBondContact O-N 2.89Å; R186-A189 VanDerWaalsContact O-N 3.14Å; R186-D190 WeakPolarHBondContact CG-OD2 3.21Å; R186-D190 PolarHBondContact O-N 2.84Å
187V95.7Very high95.1Very high53 Ų5335.9 Ų35.932%0.32120%0.203SC..Hα-helixtrans-58.9-43.5179.2169.10000111.6L156 D183 A184 S191L156-V187 HydrophobicContact CD1-CG1 4.36Å; L156-V187 HydrophobicContact CD2-CB 4.43Å; L156-V187 HydrophobicContact CD2-CG1 4.21Å; D183-V187 VanDerWaalsContact O-CG2 3.31Å; D183-V187 WeakPolarHBondContact O-CG2 3.33Å; D183-V187 PolarHBondContact O-N 2.75Å; A184-V187 PolarHBondContact O-N 2.88Å; V187-S191 WeakPolarHBondContact O-CB 3.33Å; V187-S191 PolarHBondContact O-N 2.91Å; V187-S191 PolarHBondContact O-OG 2.76Å
188V97Very high94.8Very high1 Ų143.6 Ų43.61%0.00623%0.232CC..Hα-helixtrans-63.3-45174.8176.20000111W151 L156 V160 L163 A184 A185 R186 S191 L192 I218W151-V188 HydrophobicContact CE3-CG2 4.23Å; W151-V188 HydrophobicContact CZ3-CG2 3.67Å; L156-V188 HydrophobicContact CD2-CG2 3.39Å; V160-V188 HydrophobicContact CG2-CB 4.4Å; V160-V188 HydrophobicContact CG2-CG1 3.96Å; V160-V188 HydrophobicContact CG2-CG2 4.46Å; L163-V188 HydrophobicContact CD1-CG1 3.72Å; A184-V188 PolarHBondContact O-N 3.29Å; A185-V188 PolarHBondContact O-N 3.19Å; R186-V188 VanDerWaalsContact C-N 3.35Å; R186-V188 PolarHBondContact O-N 3.35Å; V188-S191 PolarHBondContact O-N 2.83Å; V188-L192 VanDerWaalsContact O-CB 3.22Å; V188-L192 WeakPolarHBondContact O-CB 3.38Å; V188-L192 PolarHBondContact O-N 3.33Å; V188-I218 HydrophobicContact CB-CD1 4.31Å; V188-I218 HydrophobicContact CG1-CD1 3.87Å
189A97.9Very high94.4Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-58.9-51.7-179.900000112.1I176 Y178 A185 R186 R193 I218 A492I176-A189 HydrophobicContact CG2-CB 3.73Å; Y178-A189 HydrophobicContact CD1-CB 3.57Å; Y178-A189 HydrophobicContact CE1-CB 4.39Å; Y178-A189 HydrophobicContact CG-CB 4.02Å; A185-A189 WeakPolarHBondContact O-CB 3.48Å; A185-A189 PolarHBondContact O-N 3.37Å; R186-A189 WeakPolarHBondContact O-CB 3.34Å; R186-A189 PolarHBondContact O-N 2.89Å; R186-A189 VanDerWaalsContact O-N 3.14Å; A189-R193 WeakPolarHBondContact O-CB 3.48Å; A189-R193 PolarHBondContact O-N 2.97Å; A189-I218 HydrophobicContact CB-CD1 3.84Å; A189-A492 HydrophobicContact CB-CB 4.06Å
190D97.2Very high94Very high37 Ų3747.5 Ų47.520%0.19826%0.257CS..Hα-helixtrans-68.3-38.3-180-71.8-36.3000111.6R186 R193 S194 S493R186-D190 WeakPolarHBondContact CG-OD2 3.21Å; R186-D190 PolarHBondContact O-N 2.84Å; D190-R193 PolarHBondContact O-N 3.41Å; D190-S194 VanDerWaalsContact O-CB 3.32Å; D190-S194 WeakPolarHBondContact O-CB 3.33Å; D190-S194 PolarHBondContact O-N 2.89Å; D190-S493 PolarHBondContact OD1-N 3.35Å; D190-S493 PolarHBondContact OD1-OG 3.27Å
191S96.9Very high93.7Very high53 Ų5350.3 Ų50.337%0.37127%0.269SS..Hα-helixtrans-66-43.3177.7-62.60000112V187 V188 S194 L195V187-S191 WeakPolarHBondContact O-CB 3.33Å; V187-S191 PolarHBondContact O-N 2.91Å; V187-S191 PolarHBondContact O-OG 2.76Å; V188-S191 PolarHBondContact O-N 2.83Å; S191-S194 PolarHBondContact O-N 3.07Å; S191-L195 WeakPolarHBondContact O-CB 3.42Å; S191-L195 PolarHBondContact O-N 2.96Å
192L96.8Very high93.5Very high0 Ų049.6 Ų49.60%026%0.26CS..Hα-helixtrans-64.9-42.2175.1-179.760000110.7V160 L163 A164 L167 I176 V188 S194 L195 M196 L216V160-L192 HydrophobicContact CG1-CB 4.37Å; V160-L192 HydrophobicContact CG1-CD1 4.42Å; L163-L192 HydrophobicContact CB-CD1 4.42Å; L163-L192 HydrophobicContact CB-CD2 3.76Å; L163-L192 HydrophobicContact CD1-CD2 4.2Å; A164-L192 HydrophobicContact CB-CD1 3.88Å; L167-L192 HydrophobicContact CD1-CD2 4.14Å; I176-L192 HydrophobicContact CD1-CB 4.39Å; I176-L192 HydrophobicContact CD1-CD2 4.08Å; I176-L192 HydrophobicContact CD1-CG 4.15Å; V188-L192 VanDerWaalsContact O-CB 3.22Å; V188-L192 WeakPolarHBondContact O-CB 3.38Å; V188-L192 PolarHBondContact O-N 3.33Å; L192-S194 PolarHBondContact O-N 3.08Å; L192-L195 WeakPolarHBondContact O-CB 3.43Å; L192-L195 PolarHBondContact O-N 2.83Å; L192-M196 HydrophobicContact CD1-CG 4.41Å; L192-M196 HydrophobicContact CG-SD 4.13Å; L192-M196 VanDerWaalsContact O-CG 3.25Å; L192-M196 WeakPolarHBondContact O-CG 3.39Å; L192-M196 PolarHBondContact O-N 3.21Å; L192-L216 HydrophobicContact CD2-CD2 3.4Å
193R95.1Very high93.1Very high74 Ų7450.5 Ų50.528%0.27926%0.264SS..Hα-helixtrans-62-42.7176.2-177.954.5177.4156.4-1.2112.4I176 A189 D190 M196 T197 S493 G494I176-R193 HydrophobicContact CD1-CB 4.23Å; A189-R193 WeakPolarHBondContact O-CB 3.48Å; A189-R193 PolarHBondContact O-N 2.97Å; D190-R193 PolarHBondContact O-N 3.41Å; R193-M196 PolarHBondContact O-N 2.95Å; R193-T197 WeakPolarHBondContact O-CB 3.47Å; R193-T197 PolarHBondContact O-N 3.23Å; R193-T197 PolarHBondContact O-OG1 3.09Å; R193-S493 WeakPolarHBondContact CG-O 3.33Å; R193-G494 PolarHBondContact NH2-O 3.41Å
194S95.4Very high92.6Very high69 Ų6952.7 Ų52.748%0.48327%0.271SS..Hα-helixtrans-61.3-45.2174.8-178.80000111.3D190 S191 L192 T197 R198D190-S194 VanDerWaalsContact O-CB 3.32Å; D190-S194 WeakPolarHBondContact O-CB 3.33Å; D190-S194 PolarHBondContact O-N 2.89Å; S191-S194 PolarHBondContact O-N 3.07Å; L192-S194 PolarHBondContact O-N 3.08Å; S194-T197 PolarHBondContact O-N 3.38Å; S194-R198 WeakPolarHBondContact O-CB 3.33Å; S194-R198 PolarHBondContact O-N 2.91Å
195L94Very high91.5Very high35 Ų3556.9 Ų56.918%0.18330%0.3CS..Hα-helixtrans-59.6-47.8174.6176.864.3000111.9V160 A164 S191 L192 T197 R198 E199V160-L195 HydrophobicContact CG1-CD2 4.05Å; A164-L195 HydrophobicContact CB-CD2 3.66Å; S191-L195 WeakPolarHBondContact O-CB 3.42Å; S191-L195 PolarHBondContact O-N 2.96Å; L192-L195 WeakPolarHBondContact O-CB 3.43Å; L192-L195 PolarHBondContact O-N 2.83Å; L195-T197 PolarHBondContact O-N 3.31Å; L195-R198 VanDerWaalsContact CD1-NH2 3.25Å; L195-R198 PolarHBondContact O-N 3.44Å; L195-E199 HydrophobicContact CD1-CG 3.82Å; L195-E199 PolarHBondContact O-N 3.28Å
196M92.2Very high89.9Confident10 Ų1057.5 Ų57.55%0.04931%0.305CS..Hα-helixtrans-61-34.5177.7-69.4169.471.500112.7L167 V174 I176 L192 R193 E199 S200 F203L167-M196 HydrophobicContact CD1-CE 4.31Å; L167-M196 HydrophobicContact CD1-SD 3.98Å; V174-M196 HydrophobicContact CG2-CE 3.94Å; V174-M196 HydrophobicContact CG2-SD 4.3Å; I176-M196 HydrophobicContact CD1-SD 4.07Å; L192-M196 HydrophobicContact CD1-CG 4.41Å; L192-M196 HydrophobicContact CG-SD 4.13Å; L192-M196 VanDerWaalsContact O-CG 3.25Å; L192-M196 WeakPolarHBondContact O-CG 3.39Å; L192-M196 PolarHBondContact O-N 3.21Å; R193-M196 PolarHBondContact O-N 2.95Å; M196-E199 CarbonylContact O-C 3.54Å; M196-S200 VanDerWaalsContact O-CA 3.31Å; M196-S200 WeakPolarHBondContact O-CA 3.2Å; M196-S200 PolarHBondContact O-N 2.97Å; M196-F203 HydrophobicContact CB-CD2 4.17Å; M196-F203 HydrophobicContact CB-CE2 4.31Å; M196-F203 HydrophobicContact CB-CG 4.28Å; M196-F203 HydrophobicContact CE-CD1 4.3Å; M196-F203 HydrophobicContact CG-CD1 3.89Å; M196-F203 HydrophobicContact CG-CD2 4.15Å; M196-F203 HydrophobicContact CG-CE1 3.69Å; M196-F203 HydrophobicContact CG-CE2 3.97Å; M196-F203 HydrophobicContact CG-CG 4.11Å; M196-F203 HydrophobicContact CG-CZ 3.74Å
197T92Very high87.9Confident82 Ų8256.1 Ų56.150%0.50332%0.318SS..Hα-helixtrans-73.1-43.9178.2-55.50000111R193 S194 L195 S200R193-T197 WeakPolarHBondContact O-CB 3.47Å; R193-T197 PolarHBondContact O-N 3.23Å; R193-T197 PolarHBondContact O-OG1 3.09Å; S194-T197 PolarHBondContact O-N 3.38Å; L195-T197 PolarHBondContact O-N 3.31Å; T197-S200 WeakPolarHBondContact O-CB 3.29Å; T197-S200 PolarHBondContact O-N 3.24Å
198R91.9Very high85.9Confident165 Ų16555.8 Ų55.862%0.62332%0.318SS*.Hα-helixtrans-63.7-44.2177.3-175.9173.763.9-133.2-0.2111.8S194 L195 S200S194-R198 WeakPolarHBondContact O-CB 3.33Å; S194-R198 PolarHBondContact O-N 2.91Å; L195-R198 VanDerWaalsContact CD1-NH2 3.25Å; L195-R198 PolarHBondContact O-N 3.44Å; R198-S200 VanDerWaalsContact C-N 3.31Å; R198-S200 PolarHBondContact O-N 3.14Å
199E90.1Very high83.7Confident71 Ų7160.7 Ų60.733%0.33236%0.359SS..THydrogen-bonded Turntrans-95.534.8179.6-50.9-55.1151.800112L195 M196 V201 L202 F203L195-E199 HydrophobicContact CD1-CG 3.82Å; L195-E199 PolarHBondContact O-N 3.28Å; M196-E199 CarbonylContact O-C 3.54Å; E199-V201 VanDerWaalsContact C-N 3.27Å; E199-V201 PolarHBondContact O-N 2.87Å; E199-V201 VanDerWaalsContact O-N 3.13Å; E199-L202 HydrophobicContact CB-CB 4.29Å; E199-L202 VanDerWaalsContact O-CB 3.31Å; E199-L202 WeakPolarHBondContact O-CB 3.34Å; E199-L202 PolarHBondContact O-N 3.34Å; E199-F203 HydrophobicContact CB-CD2 4.08Å; E199-F203 HydrophobicContact CB-CE2 4.1Å; E199-F203 WeakPolarHBondContact O-CD2 3.41Å; E199-F203 PolarHBondContact O-N 3.49Å
200S87.9Confident81.8Confident45 Ų4563.1 Ų63.132%0.31538%0.376SS..Hα-helixtrans-54.1-37.9-170.554.90000114.3M196 T197 R198 L202 F203 Q204M196-S200 VanDerWaalsContact O-CA 3.31Å; M196-S200 WeakPolarHBondContact O-CA 3.2Å; M196-S200 PolarHBondContact O-N 2.97Å; T197-S200 WeakPolarHBondContact O-CB 3.29Å; T197-S200 PolarHBondContact O-N 3.24Å; R198-S200 VanDerWaalsContact C-N 3.31Å; R198-S200 PolarHBondContact O-N 3.14Å; S200-L202 VanDerWaalsContact C-N 3.27Å; S200-L202 PolarHBondContact O-N 3.24Å; S200-F203 PolarHBondContact O-N 3.33Å; S200-Q204 VanDerWaalsContact O-CB 3.27Å; S200-Q204 WeakPolarHBondContact O-CB 3.44Å; S200-Q204 WeakPolarHBondContact O-CG 3.38Å; S200-Q204 PolarHBondContact O-N 2.91Å
201V87.7Confident80.1Confident104 Ų10465 Ų6563%0.6339%0.39SS*.Hα-helixtrans-60-39.9177.41780000111.3E199 S205E199-V201 VanDerWaalsContact C-N 3.27Å; E199-V201 PolarHBondContact O-N 2.87Å; E199-V201 VanDerWaalsContact O-N 3.13Å; V201-S205 VanDerWaalsContact O-CB 3.26Å; V201-S205 WeakPolarHBondContact O-CB 3.41Å; V201-S205 PolarHBondContact O-N 2.78Å; V201-S205 PolarHBondContact O-OG 3.13Å
202L87.3Confident78.8Confident47 Ų4765.2 Ų65.225%0.24639%0.387CS..Hα-helixtrans-68.3-43.9179.8-175.866.1000111.8Y127 L168 E199 S200 S206Y127-L202 HydrophobicContact CE1-CD2 3.94Å; Y127-L202 HydrophobicContact CE2-CD1 3.79Å; Y127-L202 HydrophobicContact CE2-CD2 4.47Å; Y127-L202 HydrophobicContact CE2-CG 4.49Å; Y127-L202 WeakPolarHBondContact OH-CD1 3.34Å; Y127-L202 WeakPolarHBondContact OH-CD2 3.32Å; L168-L202 HydrophobicContact CD1-CD2 3.6Å; L168-L202 HydrophobicContact CD1-CG 4.14Å; L168-L202 HydrophobicContact CD2-CD2 4.14Å; L168-L202 HydrophobicContact CD2-CG 3.75Å; E199-L202 HydrophobicContact CB-CB 4.29Å; E199-L202 VanDerWaalsContact O-CB 3.31Å; E199-L202 WeakPolarHBondContact O-CB 3.34Å; E199-L202 PolarHBondContact O-N 3.34Å; S200-L202 VanDerWaalsContact C-N 3.27Å; S200-L202 PolarHBondContact O-N 3.24Å; L202-S206 PolarHBondContact O-OG 2.88Å
203F86.6Confident78.3Confident18 Ų1867.5 Ų67.58%0.07940%0.398CS..Hα-helixtrans-77.5-19.8179.2-75.4-85.3000113.9A164 L167 L168 M196 E199 S200 S206A164-F203 HydrophobicContact CB-CZ 4.16Å; L167-F203 HydrophobicContact CB-CE1 4.11Å; L167-F203 HydrophobicContact CD1-CE1 4.47Å; L168-F203 HydrophobicContact CD1-CE1 4.27Å; L168-F203 HydrophobicContact CD1-CE2 4.38Å; L168-F203 HydrophobicContact CD1-CZ 3.96Å; L168-F203 HydrophobicContact CD2-CD1 3.66Å; L168-F203 HydrophobicContact CD2-CD2 4.29Å; L168-F203 HydrophobicContact CD2-CE1 3.73Å; L168-F203 HydrophobicContact CD2-CE2 4.35Å; L168-F203 HydrophobicContact CD2-CG 3.97Å; L168-F203 HydrophobicContact CD2-CZ 4.08Å; L168-F203 HydrophobicContact CG-CD1 4.15Å; L168-F203 HydrophobicContact CG-CE1 3.68Å; L168-F203 HydrophobicContact CG-CZ 3.91Å; M196-F203 HydrophobicContact CB-CD2 4.17Å; M196-F203 HydrophobicContact CB-CE2 4.31Å; M196-F203 HydrophobicContact CB-CG 4.28Å; M196-F203 HydrophobicContact CE-CD1 4.3Å; M196-F203 HydrophobicContact CG-CD1 3.89Å; M196-F203 HydrophobicContact CG-CD2 4.15Å; M196-F203 HydrophobicContact CG-CE1 3.69Å; M196-F203 HydrophobicContact CG-CE2 3.97Å; M196-F203 HydrophobicContact CG-CG 4.11Å; M196-F203 HydrophobicContact CG-CZ 3.74Å; E199-F203 HydrophobicContact CB-CD2 4.08Å; E199-F203 HydrophobicContact CB-CE2 4.1Å; E199-F203 WeakPolarHBondContact O-CD2 3.41Å; E199-F203 PolarHBondContact O-N 3.49Å; S200-F203 PolarHBondContact O-N 3.33Å; F203-S206 WeakPolarHBondContact CA-OG 3.34Å; F203-S206 PolarHBondContact O-OG 2.92Å; F203-S206 VanDerWaalsContact O-OG 3.06Å
204Q79.8Confident78.2Confident146 Ų14664.3 Ų64.368%0.68239%0.387SS*.Hα-helixtrans-83.7-41172.8-74.8174.79.300111.8S200 S206 G207S200-Q204 VanDerWaalsContact O-CB 3.27Å; S200-Q204 WeakPolarHBondContact O-CB 3.44Å; S200-Q204 WeakPolarHBondContact O-CG 3.38Å; S200-Q204 PolarHBondContact O-N 2.91Å; Q204-S206 PolarHBondContact O-N 3.41Å; Q204-G207 PolarHBondContact O-N 3.36Å; Q204-G207 VanDerWaalsContact O-N 3.12Å
205S68.3Low78.2Confident94 Ų9461.1 Ų61.166%0.65736%0.364SS*.Hα-helixtrans-62.2-16.6179.1-60.20000113V201 G207V201-S205 VanDerWaalsContact O-CB 3.26Å; V201-S205 WeakPolarHBondContact O-CB 3.41Å; V201-S205 PolarHBondContact O-N 2.78Å; V201-S205 PolarHBondContact O-OG 3.13Å; S205-G207 PolarHBondContact O-N 3.4Å
206S61Low78.4Confident14 Ų1459.5 Ų59.510%0.09836%0.355CS..THydrogen-bonded Turntrans-65.2-16.1176.1-9.40000112.6R171 L202 F203 Q204R171-S206 WeakPolarHBondContact CB-O 3.45Å; R171-S206 WeakPolarHBondContact CD-O 3.47Å; R171-S206 WeakPolarHBondContact CG-O 3.4Å; L202-S206 PolarHBondContact O-OG 2.88Å; F203-S206 WeakPolarHBondContact CA-OG 3.34Å; F203-S206 PolarHBondContact O-OG 2.92Å; F203-S206 VanDerWaalsContact O-OG 3.06Å; Q204-S206 PolarHBondContact O-N 3.41Å
207G55.2Low78.7Confident61 Ų6159 Ų5963%0.62935%0.353SS*.  trans84.323.6157.300000117.1Q204 S205 A209Q204-G207 PolarHBondContact O-N 3.36Å; Q204-G207 VanDerWaalsContact O-N 3.12Å; S205-G207 PolarHBondContact O-N 3.4Å; G207-A209 PolarHBondContact O-N 3.13Å; G207-A209 VanDerWaalsContact O-N 3.16Å
208S53.6Low79Confident45 Ų4555.1 Ų55.132%0.31533%0.329SS..  trans-73.2106.3162.4-169.10000109.1S210S208-S210 PolarHBondContact O-N 2.95Å; S208-S210 VanDerWaalsContact O-N 3.1Å; S208-S210 PolarHBondContact OG-O 2.83Å
209A51Low79.3Confident104 Ų10447.2 Ų47.286%0.8630%0.299SS*.SBendtrans-58.2-18.7174.700000112.9G207 P211G207-A209 PolarHBondContact O-N 3.13Å; G207-A209 VanDerWaalsContact O-N 3.16Å; A209-P211 WeakPolarHBondContact O-CD 3.5Å
210S57Low79.6Confident51 Ų5143.9 Ų43.936%0.35728%0.284SS..SBendtrans-11691.3175.2-560000109S208 N212S208-S210 PolarHBondContact O-N 2.95Å; S208-S210 VanDerWaalsContact O-N 3.1Å; S208-S210 PolarHBondContact OG-O 2.83Å; S210-N212 PolarHBondContact O-N 3.47Å
211P61.5Low80Confident78 Ų7841.7 Ų41.751%0.50627%0.269SS..THydrogen-bonded Turntrans-55.2133.2159.225.4-31.6000106.4A209A209-P211 WeakPolarHBondContact O-CD 3.5Å
212N69.7Low80.4Confident57 Ų5737.2 Ų37.231%0.30524%0.24SC..THydrogen-bonded Turntrans94.131.4173.5-40.3-32.4000117.5S210 P498S210-N212 PolarHBondContact O-N 3.47Å; N212-P498 HydrophobicContact CB-CB 4.22Å; N212-P498 WeakPolarHBondContact O-CB 3.43Å
213E87.9Confident80.7Confident47 Ų4735.3 Ų35.322%0.2223%0.23CC..SBendtrans-107.9-14.7166.8-62.4-167140.100115R500 Q502 E503E213-R500 VanDerWaalsContact CA-O 3.3Å; E213-R500 WeakPolarHBondContact CA-O 3.38Å; E213-Q502 HydrophobicContact CB-CB 4.26Å; E213-Q502 HydrophobicContact CB-CG 4.1Å; E213-Q502 VanDerWaalsContact CD-CD 3.5Å; E213-Q502 HydrophobicContact CG-CG 4.36Å; E213-Q502 PolarHBondContact O-N 3.31Å; E213-Q502 PolarHBondContact OE1-NE2 2.77Å; E213-Q502 VanDerWaalsContact OE2-CD 3.32Å; E213-Q502 PolarHBondContact OE2-NE2 2.86Å; E213-Q502 VanDerWaalsContact OE2-NE2 3.17Å; E213-E503 PolarHBondContact O-N 3.15Å
214T92.9Very high81.2Confident8 Ų834.6 Ų34.65%0.04923%0.227CC..EExtended strand (participates in β ladder)trans-111.4137.1178.3-54.20000110.7R172 V174 T175 E503 I505R172-T214 HydrophobicContact CB-CG2 4.36Å; R172-T214 HydrophobicContact CG-CG2 4.42Å; V174-T214 VanDerWaalsContact CA-O 3.31Å; V174-T214 WeakPolarHBondContact CA-O 3.45Å; V174-T214 HydrophobicContact CG1-CG2 3.63Å; T175-T214 PolarHBondContact N-O 2.97Å; T175-T214 VanDerWaalsContact N-O 3.09Å; T214-E503 CarbonylContact C-O 3.57Å; T214-E503 VanDerWaalsContact CA-O 3.31Å; T214-E503 WeakPolarHBondContact CA-O 3.46Å; T214-E503 HydrophobicContact CG2-CB 4.13Å; T214-E503 HydrophobicContact CG2-CG 4.29Å; T214-E503 WeakPolarHBondContact CG2-OE2 3.48Å; T214-E503 PolarHBondContact OG1-OE2 3.02Å; T214-I505 HydrophobicContact CG2-CD1 4.12Å; T214-I505 HydrophobicContact CG2-CG1 4.19Å
215L95.8Very high82Confident2 Ų227.6 Ų27.61%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-115.6133.1174.5-178.5151000110.3T175 R177 L217 L479 L501 E503 V504 I505T175-L215 HydrophobicContact CG2-CB 4.05Å; T175-L215 HydrophobicContact CG2-CD1 4.15Å; T175-L215 HydrophobicContact CG2-CG 4.09Å; T175-L215 CarbonylContact O-C 3.54Å; T175-L215 WeakPolarHBondContact O-CA 3.3Å; R177-L215 HydrophobicContact CG-CD1 4.2Å; L215-L217 HydrophobicContact CD2-CB 3.83Å; L215-L479 HydrophobicContact CD1-CD2 4.18Å; L215-L479 HydrophobicContact CD2-CD2 4.39Å; L215-L501 HydrophobicContact CB-CD1 3.43Å; L215-L501 VanDerWaalsContact CB-CD1 3.43Å; L215-L501 HydrophobicContact CD1-CD1 4.4Å; L215-E503 PolarHBondContact N-O 3.38Å; L215-V504 HydrophobicContact CB-CG2 4.45Å; L215-V504 HydrophobicContact CD2-CG1 4.05Å; L215-V504 CarbonylContact O-C 3.46Å; L215-V504 VanDerWaalsContact O-CA 3.3Å; L215-V504 WeakPolarHBondContact O-CA 3.44Å; L215-I505 PolarHBondContact O-N 3.21Å
216L97.7Very high83.4Confident0 Ų023.8 Ų23.80%017%0.166CC..EExtended strand (participates in β ladder)trans-98.9118.9168.1172.760.9000108.8L163 V174 T175 I176 R177 L192 I218 I505 F507L163-L216 HydrophobicContact CD1-CD2 4.45Å; L163-L216 HydrophobicContact CD2-CD1 4.11Å; V174-L216 HydrophobicContact CB-CB 4.25Å; V174-L216 HydrophobicContact CG2-CB 4.05Å; T175-L216 PolarHBondContact O-N 3.03Å; I176-L216 CarbonylContact C-O 3.57Å; I176-L216 WeakPolarHBondContact CA-O 3.31Å; I176-L216 HydrophobicContact CD1-CD2 4.46Å; I176-L216 HydrophobicContact CG1-CB 4.33Å; I176-L216 HydrophobicContact CG1-CD2 4.29Å; I176-L216 HydrophobicContact CG2-CD2 4.33Å; I176-L216 HydrophobicContact CG2-CG 4.39Å; R177-L216 PolarHBondContact N-O 2.89Å; L192-L216 HydrophobicContact CD2-CD2 3.4Å; L216-I218 HydrophobicContact CD1-CG1 4.38Å; L216-I218 HydrophobicContact CD2-CD1 4.26Å; L216-I218 HydrophobicContact CD2-CG1 4.36Å; L216-I218 HydrophobicContact CG-CD1 4.45Å; L216-I218 HydrophobicContact CG-CG1 4.08Å; L216-I505 CarbonylContact C-O 3.59Å; L216-I505 VanDerWaalsContact CA-O 3.31Å; L216-I505 WeakPolarHBondContact CA-O 3.46Å; L216-I505 HydrophobicContact CD1-CB 4.03Å; L216-I505 HydrophobicContact CD1-CG2 3.84Å; L216-I505 WeakPolarHBondContact CD1-O 3.06Å; L216-F507 HydrophobicContact CD1-CB 4.38Å
217L98.3Very high85.1Confident0 Ų023.1 Ų23.10%016%0.162CC..EExtended strand (participates in β ladder)trans-105.8117.3174.1179.464.7000109.7R177 L215 L219 L479 L484 Y489 V504 I505 V506 F507R177-L217 HydrophobicContact CB-CD1 4.04Å; R177-L217 CarbonylContact O-C 3.48Å; R177-L217 WeakPolarHBondContact O-CA 3.46Å; L215-L217 HydrophobicContact CD2-CB 3.83Å; L217-L219 HydrophobicContact CD1-CD2 4.12Å; L217-L219 HydrophobicContact CD2-CD1 4.14Å; L217-L219 HydrophobicContact CD2-CD2 3.99Å; L217-L219 HydrophobicContact CD2-CG 4.15Å; L217-L219 HydrophobicContact CG-CD2 3.9Å; L217-L219 HydrophobicContact CG-CG 4.02Å; L217-L479 HydrophobicContact CD2-CD1 3.91Å; L217-L484 HydrophobicContact CD1-CD2 4.39Å; L217-Y489 HydrophobicContact CD1-CD1 4Å; L217-V504 HydrophobicContact CB-CG1 4.45Å; L217-I505 PolarHBondContact N-O 3.13Å; L217-V506 HydrophobicContact CB-CG2 4.47Å; L217-V506 CarbonylContact O-C 3.58Å; L217-V506 WeakPolarHBondContact O-CA 3.45Å; L217-F507 PolarHBondContact O-N 3.1Å
218I98.6Very high87.2Confident0 Ų020.2 Ų20.20%013%0.132CC..EExtended strand (participates in β ladder)trans-101.1121.6177.9-58.5168.1000109.5W151 L163 I176 R177 Y178 Q179 A185 V188 A189 L216W151-I218 HydrophobicContact CH2-CG2 4.46Å; L163-I218 HydrophobicContact CD1-CD1 4.4Å; I176-I218 HydrophobicContact CG2-CD1 3.91Å; R177-I218 PolarHBondContact O-N 3.06Å; Y178-I218 CarbonylContact C-O 3.54Å; Y178-I218 VanDerWaalsContact CA-O 3.31Å; Y178-I218 WeakPolarHBondContact CA-O 3.37Å; Q179-I218 PolarHBondContact N-O 2.95Å; A185-I218 HydrophobicContact CB-CG2 3.83Å; V188-I218 HydrophobicContact CB-CD1 4.31Å; V188-I218 HydrophobicContact CG1-CD1 3.87Å; A189-I218 HydrophobicContact CB-CD1 3.84Å; L216-I218 HydrophobicContact CD1-CG1 4.38Å; L216-I218 HydrophobicContact CD2-CD1 4.26Å; L216-I218 HydrophobicContact CD2-CG1 4.36Å; L216-I218 HydrophobicContact CG-CD1 4.45Å; L216-I218 HydrophobicContact CG-CG1 4.08Å
219L97.6Very high89.3Confident0 Ų018.1 Ų18.10%012%0.117CC..EExtended strand (participates in β ladder)trans-119.1158.6-178.5-59.7179.3000110.8Q179 L217 F223 L472 L475 Y489 V506 F507 I508 F509Q179-L219 HydrophobicContact CB-CD2 4.23Å; L217-L219 HydrophobicContact CD1-CD2 4.12Å; L217-L219 HydrophobicContact CD2-CD1 4.14Å; L217-L219 HydrophobicContact CD2-CD2 3.99Å; L217-L219 HydrophobicContact CD2-CG 4.15Å; L217-L219 HydrophobicContact CG-CD2 3.9Å; L217-L219 HydrophobicContact CG-CG 4.02Å; L219-F223 HydrophobicContact CB-CE1 4.35Å; L219-F223 HydrophobicContact CD1-CE1 4.22Å; L219-F223 HydrophobicContact CD1-CE2 4.25Å; L219-F223 HydrophobicContact CD1-CZ 3.89Å; L219-L472 HydrophobicContact CD1-CD1 4.19Å; L219-L475 HydrophobicContact CD1-CD1 3.92Å; L219-L475 HydrophobicContact CD2-CD1 4.26Å; L219-Y489 HydrophobicContact CD2-CD1 4.18Å; L219-Y489 HydrophobicContact CD2-CE1 3.63Å; L219-V506 HydrophobicContact CD1-CG1 3.81Å; L219-V506 HydrophobicContact CG-CG1 4.36Å; L219-F507 PolarHBondContact N-O 3.22Å; L219-I508 HydrophobicContact CB-CG1 4.33Å; L219-I508 HydrophobicContact CD1-CG1 4.36Å; L219-F509 PolarHBondContact O-N 3.28Å
220D96.4Very high91.6Very high0 Ų013.2 Ų13.20%08%0.077CC..EExtended strand (participates in β ladder)trans-113.5121.7173.3-170.2-36.8000109Y146 W151 Q179 S182 R222 F223Y146-D220 PolarHBondContact OH-OD1 3.1Å; W151-D220 HydrophobicContact CZ2-CB 3.81Å; W151-D220 WeakPolarHBondContact CZ2-OD2 3.25Å; W151-D220 PolarHBondContact NE1-OD2 3.44Å; Q179-D220 PolarHBondContact OE1-O 2.62Å; S182-D220 WeakPolarHBondContact CB-OD2 3.39Å; S182-D220 PolarHBondContact OG-OD2 2.85Å; D220-R222 VanDerWaalsContact CG-NE 3.31Å; D220-R222 PolarHBondContact O-N 3.27Å; D220-R222 WeakPolarHBondContact OD1-CG 3.31Å; D220-R222 IonicContact OD1-CZ 3.13Å; D220-R222 PolarHBondContact OD1-N 2.87Å; D220-R222 IonicContact OD1-NE 3.55Å; D220-R222 PolarHBondContact OD1-NE 3.47Å; D220-R222 IonicContact OD1-NH2 3.61Å; D220-R222 IonicContact OD2-CZ 2.69Å; D220-R222 VanDerWaalsContact OD2-CZ 3.24Å; D220-R222 IonicContact OD2-NE 3.85Å; D220-R222 PolarHBondContact OD2-NE 3.22Å; D220-R222 IonicContact OD2-NH2 3.91Å; D220-R222 PolarHBondContact OD2-NH2 3.32Å; D220-F223 WeakPolarHBondContact O-CB 3.3Å; D220-F223 WeakPolarHBondContact O-CD1 3.3Å; D220-F223 PolarHBondContact O-N 3.08Å
221R96.5Very high93.5Very high0 Ų011.1 Ų11.10%06%0.062CC..G310 helixtrans-43.6-30.7-176.9176.172.1-82.7155-13.9114F223 D224 F431 I508 F509 G510 G511 E516 F544R221-F223 PolarHBondContact O-N 3.43Å; R221-D224 PolarHBondContact NE-O 3.39Å; R221-D224 VanDerWaalsContact NH2-CB 3.34Å; R221-D224 PolarHBondContact NH2-O 2.93Å; R221-D224 IonicContact NH2-OD2 3.63Å; R221-D224 CarbonylContact O-C 3.58Å; R221-D224 VanDerWaalsContact O-C 3.3Å; R221-D224 PolarHBondContact O-N 3.46Å; R221-F431 HydrophobicContact CG-CE1 4.31Å; R221-F431 HydrophobicContact CG-CZ 4.46Å; R221-I508 HydrophobicContact CB-CG2 4.18Å; R221-F509 VanDerWaalsContact CB-O 3.31Å; R221-F509 WeakPolarHBondContact CB-O 3.4Å; R221-F509 PolarHBondContact N-O 3.23Å; R221-G510 WeakPolarHBondContact CB-O 3.37Å; R221-G510 WeakPolarHBondContact CG-O 3.39Å; R221-G511 WeakPolarHBondContact CD-O 3.45Å; R221-G511 PolarHBondContact NH1-O 3.41Å; R221-E516 IonicContact CZ-OE1 3.58Å; R221-E516 IonicContact CZ-OE2 3.51Å; R221-E516 IonicContact NH1-OE1 2.77Å; R221-E516 PolarHBondContact NH1-OE1 3.43Å; R221-E516 IonicContact NH1-OE2 3.66Å; R221-E516 PolarHBondContact NH1-OE2 2.89Å; R221-E516 IonicContact NH2-OE1 3.56Å; R221-E516 PolarHBondContact NH2-OE1 3.22Å; R221-F544 HydrophobicContact CG-CD2 4.39Å; R221-F544 HydrophobicContact CG-CE2 3.74Å
222R95.4Very high95.2Very high9 Ų98.3 Ų8.33%0.0344%0.042CC..G310 helixtrans-53.3-23.5174.7-64.4-178.2-75.9-169.8-0.1114.2Y146 L149 D220 D224 F431 W436Y146-R222 HydrophobicContact CE1-CG 4.49Å; L149-R222 PolarHBondContact O-NH1 2.96Å; D220-R222 VanDerWaalsContact CG-NE 3.31Å; D220-R222 PolarHBondContact O-N 3.27Å; D220-R222 WeakPolarHBondContact OD1-CG 3.31Å; D220-R222 IonicContact OD1-CZ 3.13Å; D220-R222 PolarHBondContact OD1-N 2.87Å; D220-R222 IonicContact OD1-NE 3.55Å; D220-R222 PolarHBondContact OD1-NE 3.47Å; D220-R222 IonicContact OD1-NH2 3.61Å; D220-R222 IonicContact OD2-CZ 2.69Å; D220-R222 VanDerWaalsContact OD2-CZ 3.24Å; D220-R222 IonicContact OD2-NE 3.85Å; D220-R222 PolarHBondContact OD2-NE 3.22Å; D220-R222 IonicContact OD2-NH2 3.91Å; D220-R222 PolarHBondContact OD2-NH2 3.32Å; R222-D224 PolarHBondContact O-N 3.39Å; R222-F431 HydrophobicContact CB-CE1 4.46Å; R222-F431 WeakPolarHBondContact CB-O 3.16Å; R222-F431 WeakPolarHBondContact CD-O 3.29Å; R222-F431 HydrophobicContact CG-CD1 3.9Å; R222-F431 HydrophobicContact CG-CD2 4.07Å; R222-F431 HydrophobicContact CG-CE1 3.6Å; R222-F431 HydrophobicContact CG-CE2 3.79Å; R222-F431 HydrophobicContact CG-CG 4.12Å; R222-F431 HydrophobicContact CG-CZ 3.55Å; R222-F431 WeakPolarHBondContact CG-O 3.43Å; R222-W436 HydrophobicContact CB-CB 4.1Å; R222-W436 HydrophobicContact CB-CD2 3.7Å; R222-W436 HydrophobicContact CB-CE3 3.88Å; R222-W436 HydrophobicContact CB-CG 3.78Å; R222-W436 HydrophobicContact CG-CD2 4.46Å; R222-W436 WeakPolarHBondContact O-CB 3.42Å
223F94.3Very high96.4Very high7 Ų76.1 Ų6.13%0.0313%0.029CC..G310 helixtrans-60.5-26174.889.8-73.2000113.6L219 D220 R221 V471 L475 I508L219-F223 HydrophobicContact CB-CE1 4.35Å; L219-F223 HydrophobicContact CD1-CE1 4.22Å; L219-F223 HydrophobicContact CD1-CE2 4.25Å; L219-F223 HydrophobicContact CD1-CZ 3.89Å; D220-F223 WeakPolarHBondContact O-CB 3.3Å; D220-F223 WeakPolarHBondContact O-CD1 3.3Å; D220-F223 PolarHBondContact O-N 3.08Å; R221-F223 PolarHBondContact O-N 3.43Å; F223-V471 HydrophobicContact CD2-CB 4.08Å; F223-V471 HydrophobicContact CD2-CG1 3.82Å; F223-V471 HydrophobicContact CE2-CB 3.71Å; F223-V471 HydrophobicContact CE2-CG1 3.77Å; F223-L475 HydrophobicContact CD2-CD1 4.19Å; F223-L475 HydrophobicContact CE2-CD1 3.78Å; F223-I508 HydrophobicContact CE1-CD1 4.28Å; F223-I508 HydrophobicContact CE1-CG2 4.1Å; F223-I508 HydrophobicContact CZ-CD1 4.41Å
224D96.4Very high96.8Very high3 Ų34.5 Ų4.52%0.0162%0.022CC..  trans-150.187.5-179.4176.82.5000109.4R221 R222 I226 T227 V471R221-D224 PolarHBondContact NE-O 3.39Å; R221-D224 VanDerWaalsContact NH2-CB 3.34Å; R221-D224 PolarHBondContact NH2-O 2.93Å; R221-D224 IonicContact NH2-OD2 3.63Å; R221-D224 CarbonylContact O-C 3.58Å; R221-D224 VanDerWaalsContact O-C 3.3Å; R221-D224 PolarHBondContact O-N 3.46Å; R222-D224 PolarHBondContact O-N 3.39Å; D224-I226 VanDerWaalsContact C-N 3.27Å; D224-I226 PolarHBondContact OD1-N 2.98Å; D224-T227 VanDerWaalsContact CG-OG1 3.26Å; D224-T227 PolarHBondContact OD1-N 3.21Å; D224-T227 PolarHBondContact OD1-OG1 3.34Å; D224-T227 WeakPolarHBondContact OD2-CB 3.4Å; D224-T227 PolarHBondContact OD2-OG1 3.09Å; D224-V471 HydrophobicContact CB-CB 4.06Å; D224-V471 HydrophobicContact CB-CG2 3.83Å; D224-V471 PolarHBondContact OD2-N 3.43Å
225A96.8Very high97Very high0 Ų04.2 Ų4.20%02%0.02CC..SBendtrans-82.9-2.3172.800000113.2L229 L395 V428 F544A225-L229 VanDerWaalsContact O-CD1 3.29Å; A225-L229 WeakPolarHBondContact O-CD1 3.48Å; A225-L229 WeakPolarHBondContact O-CG 3.44Å; A225-L395 HydrophobicContact CB-CD1 3.93Å; A225-L395 HydrophobicContact CB-CD2 4.43Å; A225-V428 HydrophobicContact CB-CG2 4.35Å; A225-F544 HydrophobicContact CB-CE1 4.36Å; A225-F544 HydrophobicContact CB-CZ 3.89Å; A225-F544 WeakPolarHBondContact O-CE1 3.41Å
226I97.4Very high97.1Very high13 Ų134.3 Ų4.37%0.0672%0.021CC..SBendtrans-85.4-51.9-175-68.3169.1000110D224 P228 L229 L230 A360 L392 L395D224-I226 VanDerWaalsContact C-N 3.27Å; D224-I226 PolarHBondContact OD1-N 2.98Å; I226-P228 VanDerWaalsContact C-CD 3.49Å; I226-L229 WeakPolarHBondContact O-CB 3.26Å; I226-L229 PolarHBondContact O-N 3.05Å; I226-L230 HydrophobicContact CG2-CD1 4.13Å; I226-L230 HydrophobicContact CG2-CD2 4.46Å; I226-L230 HydrophobicContact CG2-CG 4.33Å; I226-A360 HydrophobicContact CG2-CB 4.09Å; I226-L392 HydrophobicContact CG2-CD2 3.95Å; I226-L395 HydrophobicContact CG1-CD1 4.18Å
227T98.1Very high97.1Very high0 Ų04.4 Ų4.40%02%0.022CC..G310 helixtrans-44.9-50.8-178-66.50000114.3D224 L229 L230 Q232 H468 P470 T513 E515 E516D224-T227 VanDerWaalsContact CG-OG1 3.26Å; D224-T227 PolarHBondContact OD1-N 3.21Å; D224-T227 PolarHBondContact OD1-OG1 3.34Å; D224-T227 WeakPolarHBondContact OD2-CB 3.4Å; D224-T227 PolarHBondContact OD2-OG1 3.09Å; T227-L229 PolarHBondContact O-N 2.87Å; T227-L230 PolarHBondContact O-N 3.21Å; T227-Q232 PolarHBondContact O-NE2 3.27Å; T227-H468 PolarHBondContact OG1-CE1 3.46Å; T227-P470 HydrophobicContact CG2-CB 4.18Å; T227-P470 HydrophobicContact CG2-CG 3.97Å; T227-P470 WeakPolarHBondContact OG1-CA 3.3Å; T227-T513 HydrophobicContact CG2-CG2 4.09Å; T227-T513 WeakPolarHBondContact CG2-OG1 3.42Å; T227-E515 HydrophobicContact CG2-CB 4.3Å; T227-E515 HydrophobicContact CG2-CG 4.46Å; T227-E516 HydrophobicContact CG2-CG 4.09Å
228P98.2Very high97.1Very high1 Ų14.7 Ų4.71%0.0062%0.023CC..G310 helixtrans-70.2-13.4-179.128-36.9000114.8I226 T513 G541 F544I226-P228 VanDerWaalsContact C-CD 3.49Å; P228-T513 HydrophobicContact CB-CG2 3.83Å; P228-G541 WeakPolarHBondContact O-CA 3.47Å; P228-G541 PolarHBondContact O-N 3.38Å; P228-F544 HydrophobicContact CB-CB 3.76Å; P228-F544 HydrophobicContact CB-CD1 3.78Å; P228-F544 HydrophobicContact CB-CD2 3.92Å; P228-F544 HydrophobicContact CB-CE1 4.36Å; P228-F544 HydrophobicContact CB-CE2 4.5Å; P228-F544 HydrophobicContact CB-CG 3.52Å; P228-F544 HydrophobicContact CG-CB 4.33Å; P228-F544 HydrophobicContact CG-CD1 3.5Å; P228-F544 VanDerWaalsContact CG-CD1 3.5Å; P228-F544 HydrophobicContact CG-CD2 3.65Å; P228-F544 HydrophobicContact CG-CE1 3.57Å; P228-F544 HydrophobicContact CG-CE2 3.73Å; P228-F544 HydrophobicContact CG-CG 3.53Å; P228-F544 HydrophobicContact CG-CZ 3.68Å
229L98.5Very high97.1Very high0 Ų04.7 Ų4.70%02%0.023CC..G310 helixtrans-91.9-3.3-179.9-67.8175000113.9A225 I226 T227 R388 M391 L392 L395 V428 F544 I545A225-L229 VanDerWaalsContact O-CD1 3.29Å; A225-L229 WeakPolarHBondContact O-CD1 3.48Å; A225-L229 WeakPolarHBondContact O-CG 3.44Å; I226-L229 WeakPolarHBondContact O-CB 3.26Å; I226-L229 PolarHBondContact O-N 3.05Å; T227-L229 PolarHBondContact O-N 2.87Å; L229-R388 HydrophobicContact CD2-CG 4.18Å; L229-R388 PolarHBondContact O-NE 3.3Å; L229-R388 PolarHBondContact O-NH2 3.15Å; L229-M391 HydrophobicContact CD1-CB 3.84Å; L229-M391 HydrophobicContact CD2-SD 3.81Å; L229-L392 HydrophobicContact CB-CD2 3.87Å; L229-L392 HydrophobicContact CB-CG 4.1Å; L229-L392 HydrophobicContact CD1-CD2 4.2Å; L229-L392 HydrophobicContact CD1-CG 4.37Å; L229-L395 HydrophobicContact CD1-CD1 3.81Å; L229-V428 HydrophobicContact CD1-CG2 4.29Å; L229-F544 HydrophobicContact CD1-CE1 4.35Å; L229-F544 HydrophobicContact CD2-CD1 3.73Å; L229-F544 HydrophobicContact CD2-CE1 4.03Å; L229-F544 HydrophobicContact CG-CD1 3.92Å; L229-F544 HydrophobicContact CG-CE1 3.88Å; L229-I545 HydrophobicContact CD2-CD1 4.35Å; L229-I545 HydrophobicContact CD2-CG1 3.99Å
230L98.2Very high97.1Very high2 Ų25.1 Ų5.11%0.013%0.025CC..SBendtrans-94.4145.8-178.8-57.7175.8000111.3I226 T227 Q232 E356 A360 L392 H468I226-L230 HydrophobicContact CG2-CD1 4.13Å; I226-L230 HydrophobicContact CG2-CD2 4.46Å; I226-L230 HydrophobicContact CG2-CG 4.33Å; T227-L230 PolarHBondContact O-N 3.21Å; L230-Q232 PolarHBondContact O-NE2 3.06Å; L230-E356 HydrophobicContact CD2-CB 3.8Å; L230-A360 HydrophobicContact CD1-CB 4.25Å; L230-A360 HydrophobicContact CD2-CB 4.19Å; L230-L392 HydrophobicContact CD2-CD1 3.78Å; L230-L392 HydrophobicContact CD2-CD2 3.88Å; L230-H468 HydrophobicContact CD1-CB 3.75Å; L230-H468 VanDerWaalsContact CD1-ND1 3.35Å; L230-H468 WeakPolarHBondContact CD1-ND1 3.46Å
231N97.7Very high97.2Very high7 Ų76 Ų64%0.0373%0.029CC..  trans-69.5139.1170.5-81.8-63.4000108.8S353 E356 R388N231-S353 VanDerWaalsContact CB-OG 3.31Å; N231-S353 WeakPolarHBondContact CB-OG 3.41Å; N231-E356 VanDerWaalsContact CB-OE2 3.29Å; N231-E356 WeakPolarHBondContact CB-OE2 3.25Å; N231-E356 PolarHBondContact N-OE2 3.18Å; N231-E356 VanDerWaalsContact ND2-CD 3.33Å; N231-E356 PolarHBondContact ND2-OE1 3.24Å; N231-E356 VanDerWaalsContact ND2-OE1 3.14Å; N231-E356 PolarHBondContact ND2-OE2 3.08Å; N231-R388 VanDerWaalsContact CG-NH2 3.28Å; N231-R388 PolarHBondContact ND2-NH2 3.29Å; N231-R388 PolarHBondContact OD1-NH1 3.01Å
232Q96.1Very high97.2Very high19 Ų197.8 Ų7.89%0.0894%0.039CC..  trans-105.9134-173.4-50.7-59.8-2100109.8T227 L230 A237 M238 E515T227-Q232 PolarHBondContact O-NE2 3.27Å; L230-Q232 PolarHBondContact O-NE2 3.06Å; Q232-A237 HydrophobicContact CB-CB 3.46Å; Q232-A237 VanDerWaalsContact CB-CB 3.46Å; Q232-A237 HydrophobicContact CG-CB 4.04Å; Q232-M238 WeakPolarHBondContact O-CA 3.44Å; Q232-M238 VanDerWaalsContact O-CB 3.23Å; Q232-M238 WeakPolarHBondContact O-CB 3.31Å; Q232-M238 WeakPolarHBondContact O-CG 3.37Å; Q232-E515 VanDerWaalsContact OE1-CB 3.3Å; Q232-E515 VanDerWaalsContact OE1-CG 3.3Å; Q232-E515 PolarHBondContact OE1-OE2 3.24Å
233W96.3Very high97.3Very high10 Ų108.6 Ų8.64%0.0384%0.042CC..  trans-11814.2-170-7193.3000114.1M238 S282 F283 A344 L349 L350 S353 T466W233-M238 HydrophobicContact CE3-CE 4.39Å; W233-M238 HydrophobicContact CZ3-CE 4.07Å; W233-S282 CarbonylContact O-C 3.53Å; W233-S282 WeakPolarHBondContact O-CA 3.27Å; W233-F283 HydrophobicContact CE3-CB 3.9Å; W233-F283 HydrophobicContact CE3-CD1 4.17Å; W233-F283 HydrophobicContact CE3-CG 4.17Å; W233-F283 HydrophobicContact CZ3-CB 4.47Å; W233-F283 AromaticContact CZ3-CD1 3.89Å; W233-F283 HydrophobicContact CZ3-CD1 3.89Å; W233-F283 HydrophobicContact CZ3-CE1 4.44Å; W233-F283 HydrophobicContact CZ3-CG 4.26Å; W233-F283 PolarHBondContact O-N 2.93Å; W233-A344 HydrophobicContact CH2-CB 4.44Å; W233-L349 HydrophobicContact CH2-CB 4.39Å; W233-L349 HydrophobicContact CZ2-CB 4.22Å; W233-L350 HydrophobicContact CH2-CD2 3.29Å; W233-L350 HydrophobicContact CH2-CG 3.92Å; W233-L350 HydrophobicContact CZ2-CD2 3.91Å; W233-L350 HydrophobicContact CZ3-CD2 3.8Å; W233-S353 WeakPolarHBondContact CZ2-OG 3.2Å; W233-S353 VanDerWaalsContact NE1-CB 3.34Å; W233-S353 PolarHBondContact NE1-OG 3.36Å; W233-T466 HydrophobicContact CB-CG2 3.9Å
234T95.9Very high97.4Very high13 Ų139 Ų98%0.085%0.048CC..BIsolated β-bridgetrans-101.8151.7166.159.30000110.7Q236 A237 M238 A281 L518T234-Q236 PolarHBondContact O-N 3.44Å; T234-A237 PolarHBondContact O-N 3.21Å; T234-A237 VanDerWaalsContact O-N 3.15Å; T234-A237 WeakPolarHBondContact OG1-CB 3.37Å; T234-M238 VanDerWaalsContact O-CB 3.28Å; T234-M238 WeakPolarHBondContact O-CB 3.23Å; T234-M238 PolarHBondContact O-N 3.05Å; T234-A281 CarbonylContact C-O 3.57Å; T234-A281 VanDerWaalsContact CA-O 3.3Å; T234-A281 WeakPolarHBondContact CA-O 3.25Å; T234-L518 HydrophobicContact CG2-CD2 3.45Å; T234-L518 VanDerWaalsContact CG2-CD2 3.45Å
235Y97.3Very high97.5Very high2 Ų29.1 Ų9.11%0.0085%0.049CC..Hα-helixtrans-54.2-54.4-165.2-177.3-145.1000113.7A237 V239 Y275 A281 I286 H333 L336 L340Y235-A237 PolarHBondContact O-N 2.95Å; Y235-V239 HydrophobicContact CD2-CG2 4.01Å; Y235-V239 HydrophobicContact CE2-CG2 3.88Å; Y235-V239 WeakPolarHBondContact O-CG2 3.47Å; Y235-V239 PolarHBondContact O-N 3.35Å; Y235-V239 VanDerWaalsContact O-N 3.08Å; Y235-Y275 HydrophobicContact CD1-CD2 4.07Å; Y235-Y275 HydrophobicContact CD1-CE2 4.16Å; Y235-Y275 AromaticContact CE1-CD2 3.8Å; Y235-Y275 HydrophobicContact CE1-CD2 3.8Å; Y235-Y275 HydrophobicContact CE1-CE2 4.17Å; Y235-A281 PolarHBondContact N-O 3.41Å; Y235-I286 HydrophobicContact CD1-CD1 3.98Å; Y235-I286 HydrophobicContact CD1-CG1 3.9Å; Y235-I286 HydrophobicContact CD2-CG1 3.94Å; Y235-I286 HydrophobicContact CD2-CG2 4.44Å; Y235-I286 HydrophobicContact CE1-CD1 4.15Å; Y235-I286 HydrophobicContact CE1-CG1 4.18Å; Y235-I286 HydrophobicContact CE2-CG1 4.23Å; Y235-I286 HydrophobicContact CG-CB 4.43Å; Y235-I286 HydrophobicContact CG-CD1 4.34Å; Y235-I286 HydrophobicContact CG-CG1 3.77Å; Y235-H333 AromaticContact CE1-ND1 3.86Å; Y235-H333 AromaticContact CZ-ND1 3.77Å; Y235-H333 PolarHBondContact OH-ND1 2.91Å; Y235-L336 HydrophobicContact CE2-CD2 3.93Å; Y235-L336 HydrophobicContact CE2-CG 4.34Å; Y235-L336 WeakPolarHBondContact OH-CD2 3.41Å; Y235-L340 HydrophobicContact CD2-CD1 4.12Å; Y235-L340 HydrophobicContact CE2-CD1 4.02Å
236Q98.1Very high97.4Very high5 Ų519.1 Ų19.12%0.0239%0.087CC..Hα-helixtrans-61.8-45.9178.6172.3175.86100112.3T234 V239 H240 I245 Y275 M279 Y514T234-Q236 PolarHBondContact O-N 3.44Å; Q236-V239 PolarHBondContact O-N 2.85Å; Q236-H240 PolarHBondContact O-N 3.48Å; Q236-I245 HydrophobicContact CG-CD1 4.01Å; Q236-Y275 HydrophobicContact CB-CE2 4.47Å; Q236-Y275 WeakPolarHBondContact CB-OH 3.32Å; Q236-Y275 VanDerWaalsContact CG-OH 3.22Å; Q236-Y275 WeakPolarHBondContact CG-OH 3.28Å; Q236-Y275 PolarHBondContact NE2-OH 3.25Å; Q236-M279 HydrophobicContact CB-CB 4.17Å; Q236-M279 VanDerWaalsContact CB-O 3.25Å; Q236-M279 WeakPolarHBondContact CB-O 3.42Å; Q236-M279 PolarHBondContact N-O 3.16Å; Q236-Y514 HydrophobicContact CG-CD1 3.62Å; Q236-Y514 HydrophobicContact CG-CD2 4.34Å; Q236-Y514 HydrophobicContact CG-CE1 3.9Å; Q236-Y514 HydrophobicContact CG-CG 3.84Å
237A98.1Very high97.4Very high2 Ų220.2 Ų20.22%0.0179%0.093CC..Hα-helixtrans-68.7-38.7-17500000111.4Q232 T234 Y235 H240 E241Q232-A237 HydrophobicContact CB-CB 3.46Å; Q232-A237 VanDerWaalsContact CB-CB 3.46Å; Q232-A237 HydrophobicContact CG-CB 4.04Å; T234-A237 PolarHBondContact O-N 3.21Å; T234-A237 VanDerWaalsContact O-N 3.15Å; T234-A237 WeakPolarHBondContact OG1-CB 3.37Å; Y235-A237 PolarHBondContact O-N 2.95Å; A237-H240 PolarHBondContact O-N 2.72Å; A237-E241 WeakPolarHBondContact O-CB 3.47Å; A237-E241 PolarHBondContact O-N 2.89Å
238M97.9Very high97.3Very high5 Ų520.3 Ų20.33%0.0259%0.093CC..Hα-helixtrans-65.6-40.8175.4-164.7-174.7-175.200111.9Q232 W233 T234 H240 E241 L242 F283 L340 A344Q232-M238 WeakPolarHBondContact O-CA 3.44Å; Q232-M238 VanDerWaalsContact O-CB 3.23Å; Q232-M238 WeakPolarHBondContact O-CB 3.31Å; Q232-M238 WeakPolarHBondContact O-CG 3.37Å; W233-M238 HydrophobicContact CE3-CE 4.39Å; W233-M238 HydrophobicContact CZ3-CE 4.07Å; T234-M238 VanDerWaalsContact O-CB 3.28Å; T234-M238 WeakPolarHBondContact O-CB 3.23Å; T234-M238 PolarHBondContact O-N 3.05Å; M238-H240 VanDerWaalsContact C-N 3.32Å; M238-H240 PolarHBondContact O-N 3.49Å; M238-E241 PolarHBondContact O-N 3.5Å; M238-L242 HydrophobicContact CE-CD1 3.9Å; M238-L242 HydrophobicContact CG-CD1 4.1Å; M238-L242 WeakPolarHBondContact O-CG 3.32Å; M238-L242 PolarHBondContact O-N 2.77Å; M238-F283 HydrophobicContact CE-CD2 4.02Å; M238-F283 HydrophobicContact CE-CE2 3.97Å; M238-F283 HydrophobicContact CE-CG 4.47Å; M238-F283 HydrophobicContact CE-CZ 4.41Å; M238-F283 HydrophobicContact SD-CB 4.38Å; M238-F283 HydrophobicContact SD-CD2 3.38Å; M238-F283 WeakPolarHBondContact SD-CD2 3.43Å; M238-F283 HydrophobicContact SD-CE2 3.81Å; M238-F283 HydrophobicContact SD-CG 3.99Å; M238-L340 HydrophobicContact CE-CB 4.17Å; M238-L340 HydrophobicContact CG-CD2 4.16Å; M238-L340 HydrophobicContact SD-CB 4.23Å; M238-L340 HydrophobicContact SD-CD1 4.29Å; M238-L340 HydrophobicContact SD-CD2 4.47Å; M238-A344 HydrophobicContact CE-CB 4.07Å
239V98.1Very high97.2Very high0 Ų024.7 Ų24.70%011%0.11CC..Hα-helixtrans-60.6-44.6172.8172.90000110.7Y235 Q236 E241 F243 G244 I245 V250 L267 L336 L340Y235-V239 HydrophobicContact CD2-CG2 4.01Å; Y235-V239 HydrophobicContact CE2-CG2 3.88Å; Y235-V239 WeakPolarHBondContact O-CG2 3.47Å; Y235-V239 PolarHBondContact O-N 3.35Å; Y235-V239 VanDerWaalsContact O-N 3.08Å; Q236-V239 PolarHBondContact O-N 2.85Å; V239-E241 VanDerWaalsContact C-N 3.35Å; V239-F243 PolarHBondContact O-N 3.13Å; V239-G244 PolarHBondContact O-N 3.16Å; V239-I245 HydrophobicContact CB-CD1 4.33Å; V239-I245 HydrophobicContact CG1-CD1 4.07Å; V239-I245 HydrophobicContact CG1-CG1 3.98Å; V239-V250 HydrophobicContact CG1-CG1 4Å; V239-V250 HydrophobicContact CG1-CG2 3.72Å; V239-L267 HydrophobicContact CG1-CD1 3.88Å; V239-L336 HydrophobicContact CG1-CD1 4.39Å; V239-L336 HydrophobicContact CG1-CD2 4.17Å; V239-L336 HydrophobicContact CG2-CD1 4.27Å; V239-L336 HydrophobicContact CG2-CD2 3.49Å; V239-L336 VanDerWaalsContact CG2-CD2 3.49Å; V239-L336 HydrophobicContact CG2-CG 3.95Å; V239-L340 HydrophobicContact CG2-CD1 3.78Å; V239-L340 HydrophobicContact CG2-CD2 4.26Å
240H98.2Very high97.1Very high10 Ų1024.7 Ų24.75%0.04611%0.11CC..Hα-helixtrans-65.1-38.1176.7-170.669.1000112.7Q236 A237 M238 G244 I245 Y514 M538 H539 N540Q236-H240 PolarHBondContact O-N 3.48Å; A237-H240 PolarHBondContact O-N 2.72Å; M238-H240 VanDerWaalsContact C-N 3.32Å; M238-H240 PolarHBondContact O-N 3.49Å; H240-G244 WeakPolarHBondContact O-CA 3.47Å; H240-G244 PolarHBondContact O-N 2.71Å; H240-I245 HydrophobicContact CB-CB 4.46Å; H240-I245 HydrophobicContact CB-CD1 3.93Å; H240-I245 HydrophobicContact CB-CG1 3.95Å; H240-I245 PolarHBondContact CE1-O 2.72Å; H240-I245 PolarHBondContact ND1-N 2.84Å; H240-I245 PolarHBondContact ND1-O 3.4Å; H240-Y514 HydrophobicContact CB-CD2 3.49Å; H240-Y514 VanDerWaalsContact CB-CD2 3.49Å; H240-Y514 HydrophobicContact CB-CE2 3.79Å; H240-Y514 AromaticContact CD2-CD2 3.67Å; H240-Y514 AromaticContact CD2-CE2 3.98Å; H240-Y514 AromaticContact CE1-CE2 4Å; H240-Y514 AromaticContact CG-CD2 3.42Å; H240-Y514 VanDerWaalsContact CG-CD2 3.42Å; H240-Y514 AromaticContact CG-CE2 3.5Å; H240-Y514 AromaticContact ND1-CD2 3.95Å; H240-Y514 AromaticContact ND1-CE2 3.51Å; H240-M538 PolarHBondContact NE2-O 3.27Å; H240-H539 VanDerWaalsContact NE2-C 3.3Å; H240-N540 PolarHBondContact NE2-N 2.7Å; H240-N540 WeakPolarHBondContact O-CB 3.47Å; H240-N540 PolarHBondContact O-ND2 2.79Å
241E98Very high96.9Very high18 Ų1828.2 Ų28.28%0.08413%0.128CC..Hα-helixtrans-63.8-45.6178.5-171.754.8-141.600111.6A237 M238 V239 R388 N540 G541A237-E241 WeakPolarHBondContact O-CB 3.47Å; A237-E241 PolarHBondContact O-N 2.89Å; M238-E241 PolarHBondContact O-N 3.5Å; V239-E241 VanDerWaalsContact C-N 3.35Å; E241-R388 IonicContact OE1-CZ 3.5Å; E241-R388 IonicContact OE1-NH1 3.36Å; E241-R388 PolarHBondContact OE1-NH1 3.13Å; E241-N540 WeakPolarHBondContact OE2-CA 3.39Å; E241-N540 VanDerWaalsContact OE2-CB 3.28Å; E241-N540 WeakPolarHBondContact OE2-CB 3.3Å; E241-G541 PolarHBondContact OE1-N 2.61Å; E241-G541 PolarHBondContact OE2-N 2.87Å
242L96.8Very high96.7Very high38 Ų3827.9 Ų27.920%0.19913%0.127CC..Hα-helixtrans-93.2-33-170.2-61-177.6000114.7M238 L340 L343 L349M238-L242 HydrophobicContact CE-CD1 3.9Å; M238-L242 HydrophobicContact CG-CD1 4.1Å; M238-L242 WeakPolarHBondContact O-CG 3.32Å; M238-L242 PolarHBondContact O-N 2.77Å; L242-L340 HydrophobicContact CB-CD2 4.19Å; L242-L340 HydrophobicContact CD1-CD2 3.79Å; L242-L340 HydrophobicContact CG-CD2 4.45Å; L242-L343 HydrophobicContact CB-CD1 3.95Å; L242-L343 HydrophobicContact CD1-CB 4.01Å; L242-L343 HydrophobicContact CD1-CD1 4.32Å; L242-L349 HydrophobicContact CD1-CD1 4.16Å; L242-L349 HydrophobicContact CD2-CD1 3.7Å
243F96.7Very high96.3Very high26 Ų2632.8 Ų32.811%0.11415%0.149CC..THydrogen-bonded Turntrans-116-21.1-179.6-66.7-71000113.6V239 V250 M252 A255 L336 E339 L340 L343V239-F243 PolarHBondContact O-N 3.13Å; F243-V250 HydrophobicContact CB-CG1 3.52Å; F243-V250 HydrophobicContact CG-CG1 4.2Å; F243-M252 HydrophobicContact CD1-CG 4.16Å; F243-M252 HydrophobicContact CE1-CG 4.39Å; F243-M252 HydrophobicContact CG-CG 4.42Å; F243-A255 HydrophobicContact CE1-CB 4.3Å; F243-L336 HydrophobicContact CD2-CD1 4.09Å; F243-L336 HydrophobicContact CE2-CD1 4.2Å; F243-E339 HydrophobicContact CE2-CB 4.21Å; F243-E339 HydrophobicContact CZ-CB 3.74Å; F243-L340 HydrophobicContact CD2-CD2 3.96Å; F243-L340 HydrophobicContact CE2-CD2 3.75Å; F243-L340 HydrophobicContact CE2-CG 4.33Å; F243-L343 HydrophobicContact CE1-CD1 3.94Å; F243-L343 HydrophobicContact CE2-CD1 3.89Å; F243-L343 HydrophobicContact CZ-CD1 3.4Å; F243-L343 VanDerWaalsContact CZ-CD1 3.4Å; F243-L343 HydrophobicContact CZ-CG 4.5Å
244G96.7Very high95.8Very high15 Ų1537 Ų3716%0.15518%0.181CC..  trans77.4146.1-168.200000112.1V239 H240V239-G244 PolarHBondContact O-N 3.16Å; H240-G244 WeakPolarHBondContact O-CA 3.47Å; H240-G244 PolarHBondContact O-N 2.71Å
245I97.6Very high95.5Very high6 Ų636.7 Ų36.73%0.03118%0.179CC..  trans-124.4124.8171.6-57.1175.2000106.3Q236 V239 H240 R249 V250 Y514Q236-I245 HydrophobicContact CG-CD1 4.01Å; V239-I245 HydrophobicContact CB-CD1 4.33Å; V239-I245 HydrophobicContact CG1-CD1 4.07Å; V239-I245 HydrophobicContact CG1-CG1 3.98Å; H240-I245 HydrophobicContact CB-CB 4.46Å; H240-I245 HydrophobicContact CB-CD1 3.93Å; H240-I245 HydrophobicContact CB-CG1 3.95Å; H240-I245 PolarHBondContact CE1-O 2.72Å; H240-I245 PolarHBondContact ND1-N 2.84Å; H240-I245 PolarHBondContact ND1-O 3.4Å; I245-R249 WeakPolarHBondContact CA-O 3.42Å; I245-V250 HydrophobicContact CG1-CG2 3.96Å; I245-Y514 HydrophobicContact CB-CE2 4.14Å; I245-Y514 HydrophobicContact CD1-CE2 4.05Å
246R96.3Very high94.9Very high209 Ų20941.7 Ų41.779%0.78921%0.212SC*.BIsolated β-bridgetrans-129.5117.5173.8-70.1-175.8176.7169.8-0.2108.9N248 R249R246-N248 VanDerWaalsContact C-N 3.28Å; R246-N248 PolarHBondContact O-N 3.45Å; R246-R249 PolarHBondContact N-O 3.4Å; R246-R249 WeakPolarHBondContact O-CB 2.96Å; R246-R249 PolarHBondContact O-N 3Å
247N95.8Very high94Very high37 Ų3744 Ų4420%0.19823%0.229CC..THydrogen-bonded Turntrans51.347.6-179-52.6-29.7000112.2A33 C37 N141 R249A33-N247 VanDerWaalsContact CB-ND2 3.32Å; A33-N247 WeakPolarHBondContact CB-ND2 3.24Å; C37-N247 VanDerWaalsContact SG-C 3.58Å; C37-N247 VanDerWaalsContact SG-CA 3.53Å; N141-N247 PolarHBondContact ND2-OD1 3.35Å; N247-R249 PolarHBondContact O-N 2.79Å; N247-R249 VanDerWaalsContact O-N 3.14Å
248N96.8Very high93.3Very high2 Ų244.8 Ų44.81%0.01123%0.233CC..THydrogen-bonded Turntrans61.615.3-176.8-62.9-12.9000115.1L133 R246 I266 L267 N268L133-N248 PolarHBondContact O-ND2 3.12Å; L133-N248 VanDerWaalsContact O-ND2 3.13Å; R246-N248 VanDerWaalsContact C-N 3.28Å; R246-N248 PolarHBondContact O-N 3.45Å; N248-I266 WeakPolarHBondContact O-CA 3.35Å; N248-L267 VanDerWaalsContact CB-O 3.31Å; N248-L267 WeakPolarHBondContact CB-O 3.5Å; N248-L267 PolarHBondContact O-N 2.77Å; N248-N268 HydrophobicContact CB-CB 4.12Å
249R96.2Very high92.4Very high93 Ų9346.3 Ų46.335%0.35125%0.25SC..EExtended strand (participates in β ladder)trans-106.7141.8173.1-60.8179179.8-102.3-6.7111.4I245 R246 N247 E264 I265 I266I245-R249 WeakPolarHBondContact CA-O 3.42Å; R246-R249 PolarHBondContact N-O 3.4Å; R246-R249 WeakPolarHBondContact O-CB 2.96Å; R246-R249 PolarHBondContact O-N 3Å; N247-R249 PolarHBondContact O-N 2.79Å; N247-R249 VanDerWaalsContact O-N 3.14Å; R249-E264 IonicContact CZ-OE1 2.69Å; R249-E264 IonicContact NH1-OE1 3.83Å; R249-E264 PolarHBondContact NH1-OE1 3.25Å; R249-I265 WeakPolarHBondContact CA-O 3.25Å; R249-I266 HydrophobicContact CG-CG1 4.43Å
250V96.7Very high91.7Very high0 Ų050 Ų500%028%0.281CS..EExtended strand (participates in β ladder)trans-121.1126.4175.6-176.50000108.2V239 F243 I245 M252 E264 I265 L267V239-V250 HydrophobicContact CG1-CG1 4Å; V239-V250 HydrophobicContact CG1-CG2 3.72Å; F243-V250 HydrophobicContact CB-CG1 3.52Å; F243-V250 HydrophobicContact CG-CG1 4.2Å; I245-V250 HydrophobicContact CG1-CG2 3.96Å; V250-M252 HydrophobicContact CG1-CG 3.99Å; V250-E264 WeakPolarHBondContact O-CA 3.4Å; V250-I265 HydrophobicContact CB-CD1 4.36Å; V250-I265 HydrophobicContact CB-CG1 3.76Å; V250-I265 HydrophobicContact CG1-CG1 4.45Å; V250-I265 HydrophobicContact CG2-CG1 4.41Å; V250-I265 PolarHBondContact N-O 2.85Å; V250-I265 PolarHBondContact O-N 3.19Å; V250-L267 HydrophobicContact CG2-CD1 3.64Å; V250-L267 HydrophobicContact CG2-CG 4.05Å
251N93Very high90.9Very high75 Ų7554.5 Ų54.540%0.40131%0.305SS..EExtended strand (participates in β ladder)trans-98.4115.6173.4-174.7-12000109.1E253 R263N251-E253 WeakPolarHBondContact OD1-CB 3.43Å; N251-E253 PolarHBondContact OD1-N 3.21Å; N251-R263 CarbonylContact C-O 3.56Å; N251-R263 PolarHBondContact OD1-O 3.34Å
252M93.2Very high90.4Very high0 Ų054.4 Ų54.40%031%0.305CS..  trans-106.119.4177.6-59.3-167.7-6300112.3F243 V250 S254 A255 V258 M262 R263 I265 T335 L336F243-M252 HydrophobicContact CD1-CG 4.16Å; F243-M252 HydrophobicContact CE1-CG 4.39Å; F243-M252 HydrophobicContact CG-CG 4.42Å; V250-M252 HydrophobicContact CG1-CG 3.99Å; M252-S254 PolarHBondContact O-N 3.4Å; M252-A255 HydrophobicContact CB-CB 4.35Å; M252-A255 VanDerWaalsContact O-CB 3.23Å; M252-A255 WeakPolarHBondContact O-CB 3.33Å; M252-A255 PolarHBondContact O-N 3.29Å; M252-V258 HydrophobicContact CB-CG1 4.25Å; M252-V258 HydrophobicContact CB-CG2 4.39Å; M252-V258 HydrophobicContact CE-CG1 4.17Å; M252-M262 HydrophobicContact CE-CB 4.21Å; M252-M262 WeakPolarHBondContact CE-O 3.19Å; M252-R263 PolarHBondContact N-O 3.02Å; M252-I265 HydrophobicContact CE-CD1 3.79Å; M252-I265 HydrophobicContact CE-CG1 4.1Å; M252-I265 HydrophobicContact CE-CG2 3.72Å; M252-I265 HydrophobicContact SD-CD1 4.06Å; M252-T335 HydrophobicContact CE-CG2 4.29Å; M252-L336 HydrophobicContact CG-CD1 4.47Å; M252-L336 HydrophobicContact SD-CD1 3.44Å; M252-L336 WeakPolarHBondContact SD-CD1 3.38Å
253E89.3Confident90Very high122 Ų12258.6 Ų58.657%0.5732%0.318SS*.THydrogen-bonded Turntrans-58.7-27.8179-177.9169.5-149.800113.1N251 A255N251-E253 WeakPolarHBondContact OD1-CB 3.43Å; N251-E253 PolarHBondContact OD1-N 3.21Å; E253-A255 PolarHBondContact O-N 3.13Å
254S85.7Confident89.8Confident100 Ų10062.3 Ų62.370%0.69934%0.336SS*.THydrogen-bonded Turntrans-75.8-8.1174.459.90000114.1M252M252-S254 PolarHBondContact O-N 3.4Å
255A89.5Confident89.6Confident6 Ų662 Ų625%0.0533%0.331CS..  trans-84.1122.2179.600000110.3F243 M252 E253 S257 V258 E339F243-A255 HydrophobicContact CE1-CB 4.3Å; M252-A255 HydrophobicContact CB-CB 4.35Å; M252-A255 VanDerWaalsContact O-CB 3.23Å; M252-A255 WeakPolarHBondContact O-CB 3.33Å; M252-A255 PolarHBondContact O-N 3.29Å; E253-A255 PolarHBondContact O-N 3.13Å; A255-S257 VanDerWaalsContact C-N 3.28Å; A255-S257 PolarHBondContact O-N 3.01Å; A255-V258 HydrophobicContact CB-CB 4.08Å; A255-V258 HydrophobicContact CB-CG2 3.42Å; A255-V258 VanDerWaalsContact CB-CG2 3.42Å; A255-V258 PolarHBondContact O-N 3.08Å; A255-E339 HydrophobicContact CB-CG 4.01Å; A255-E339 WeakPolarHBondContact CB-OE2 3.4Å
256P84.9Confident89.4Confident107 Ų10764.9 Ų64.970%0.69535%0.345SS*.THydrogen-bonded Turntrans-69.6-23-16727.1-35.3000114
257S77.9Confident89.4Confident53 Ų5355 Ų5537%0.37131%0.308SS..THydrogen-bonded Turntrans-107.29.6-17466.80000113.5A255 K314 E339A255-S257 VanDerWaalsContact C-N 3.28Å; A255-S257 PolarHBondContact O-N 3.01Å; S257-K314 WeakPolarHBondContact OG-CE 3.11Å; S257-K314 PolarHBondContact OG-NZ 2.96Å; S257-E339 PolarHBondContact OG-OE1 2.81Å
258V83.2Confident89.3Confident19 Ų1953.3 Ų53.312%0.11530%0.299CS..  trans-90.5119.9-176174.50000110.3M252 A255 M262 T335 E339M252-V258 HydrophobicContact CB-CG1 4.25Å; M252-V258 HydrophobicContact CB-CG2 4.39Å; M252-V258 HydrophobicContact CE-CG1 4.17Å; A255-V258 HydrophobicContact CB-CB 4.08Å; A255-V258 HydrophobicContact CB-CG2 3.42Å; A255-V258 VanDerWaalsContact CB-CG2 3.42Å; A255-V258 PolarHBondContact O-N 3.08Å; V258-M262 HydrophobicContact CG1-CB 3.51Å; V258-M262 VanDerWaalsContact CG1-O 3.23Å; V258-M262 WeakPolarHBondContact CG1-O 3.48Å; V258-T335 HydrophobicContact CG2-CG2 3.98Å; V258-E339 HydrophobicContact CG2-CG 4.05Å
259G80.5Confident89.1Confident36 Ų3653.7 Ų53.737%0.37130%0.302SS..  trans-60.9157.9174.600000112.6D261 M262 R263G259-D261 PolarHBondContact O-N 2.78Å; G259-M262 PolarHBondContact O-N 3.05Å; G259-R263 PolarHBondContact O-N 2.64Å
260A82.1Confident88.8Confident79 Ų7953.2 Ų53.265%0.65331%0.305SS*.G310 helixtrans-54.2-31.4-177.400000113.6M262A260-M262 VanDerWaalsContact C-N 3.3Å; A260-M262 PolarHBondContact O-N 3.37Å
261D82Confident88.4Confident103 Ų10356.8 Ų56.855%0.55132%0.321SS*.G310 helixtrans-79.3-9-179.867.2-31.8000114.5G259 K324G259-D261 PolarHBondContact O-N 2.78Å; D261-K324 IonicContact OD1-NZ 3.77Å; D261-K324 PolarHBondContact OD1-NZ 3.16Å; D261-K324 WeakPolarHBondContact OD2-CE 3.07Å; D261-K324 IonicContact OD2-NZ 2.72Å; D261-K324 PolarHBondContact OD2-NZ 2.95Å
262M86.6Confident88.4Confident17 Ų1753.8 Ų53.88%0.08431%0.305CS..G310 helixtrans-115.56.6176.6-71.3-68.5-178.900112.2M252 V258 G259 A260 E264 I265 A331 K332M252-M262 HydrophobicContact CE-CB 4.21Å; M252-M262 WeakPolarHBondContact CE-O 3.19Å; V258-M262 HydrophobicContact CG1-CB 3.51Å; V258-M262 VanDerWaalsContact CG1-O 3.23Å; V258-M262 WeakPolarHBondContact CG1-O 3.48Å; G259-M262 PolarHBondContact O-N 3.05Å; A260-M262 VanDerWaalsContact C-N 3.3Å; A260-M262 PolarHBondContact O-N 3.37Å; M262-E264 VanDerWaalsContact C-N 3.28Å; M262-E264 PolarHBondContact O-N 3.03Å; M262-I265 HydrophobicContact SD-CG2 3.81Å; M262-A331 HydrophobicContact CE-CB 4.16Å; M262-K332 HydrophobicContact CE-CB 4.2Å; M262-K332 HydrophobicContact SD-CB 4.38Å
263R89.6Confident88.4Confident125 Ų12560.1 Ų60.147%0.47234%0.339SS..SBendtrans-62.4-34.8178-74.1-177.9-177.8-1791.9113.1N251 M252 G259N251-R263 CarbonylContact C-O 3.56Å; N251-R263 PolarHBondContact OD1-O 3.34Å; M252-R263 PolarHBondContact N-O 3.02Å; G259-R263 PolarHBondContact O-N 2.64Å
264E92.1Very high88.6Confident105 Ų10555.8 Ų55.849%0.49132%0.318SS..EExtended strand (participates in β ladder)trans-127125.4171.3-171.3179.986.100108.8R249 V250 M262R249-E264 IonicContact CZ-OE1 2.69Å; R249-E264 IonicContact NH1-OE1 3.83Å; R249-E264 PolarHBondContact NH1-OE1 3.25Å; V250-E264 WeakPolarHBondContact O-CA 3.4Å; M262-E264 VanDerWaalsContact C-N 3.28Å; M262-E264 PolarHBondContact O-N 3.03Å
265I93.2Very high89.1Confident8 Ų851 Ų514%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-123.1152.3178.564.3169.2000110.7R249 V250 M252 M262 L267 K332 L336R249-I265 WeakPolarHBondContact CA-O 3.25Å; V250-I265 HydrophobicContact CB-CD1 4.36Å; V250-I265 HydrophobicContact CB-CG1 3.76Å; V250-I265 HydrophobicContact CG1-CG1 4.45Å; V250-I265 HydrophobicContact CG2-CG1 4.41Å; V250-I265 PolarHBondContact N-O 2.85Å; V250-I265 PolarHBondContact O-N 3.19Å; M252-I265 HydrophobicContact CE-CD1 3.79Å; M252-I265 HydrophobicContact CE-CG1 4.1Å; M252-I265 HydrophobicContact CE-CG2 3.72Å; M252-I265 HydrophobicContact SD-CD1 4.06Å; M262-I265 HydrophobicContact SD-CG2 3.81Å; I265-L267 HydrophobicContact CD1-CD2 4.41Å; I265-L267 HydrophobicContact CD1-CG 4.46Å; I265-K332 HydrophobicContact CB-CD 4.13Å; I265-K332 HydrophobicContact CB-CG 4.25Å; I265-K332 HydrophobicContact CD1-CD 4.36Å; I265-K332 HydrophobicContact CD1-CG 3.93Å; I265-K332 HydrophobicContact CG2-CG 4.23Å; I265-L336 HydrophobicContact CD1-CD1 4.13Å; I265-L336 HydrophobicContact CD1-CD2 4.02Å; I265-L336 HydrophobicContact CD1-CG 4.47Å
266I93.5Very high89.4Confident67 Ų6752.6 Ų52.634%0.34430%0.298SS..EExtended strand (participates in β ladder)trans-102.3127175.6-58.5175.3000109N248 R249 N268 K332N248-I266 WeakPolarHBondContact O-CA 3.35Å; R249-I266 HydrophobicContact CG-CG1 4.43Å; I266-N268 HydrophobicContact CG2-CB 3.94Å; I266-K332 PolarHBondContact O-NZ 3.39Å
267L95.1Very high89.8Confident0 Ų053 Ų530%030%0.299CS..  trans-118.483.3172-65.3-176.9000108.6V239 N248 V250 I265 Y275 K332 L336V239-L267 HydrophobicContact CG1-CD1 3.88Å; N248-L267 VanDerWaalsContact CB-O 3.31Å; N248-L267 WeakPolarHBondContact CB-O 3.5Å; N248-L267 PolarHBondContact O-N 2.77Å; V250-L267 HydrophobicContact CG2-CD1 3.64Å; V250-L267 HydrophobicContact CG2-CG 4.05Å; I265-L267 HydrophobicContact CD1-CD2 4.41Å; I265-L267 HydrophobicContact CD1-CG 4.46Å; L267-Y275 HydrophobicContact CB-CD1 4.17Å; L267-Y275 HydrophobicContact CB-CD2 4.39Å; L267-Y275 HydrophobicContact CB-CE1 3.86Å; L267-Y275 HydrophobicContact CB-CE2 4.11Å; L267-Y275 HydrophobicContact CB-CG 4.42Å; L267-Y275 HydrophobicContact CD1-CE2 4.01Å; L267-Y275 HydrophobicContact CD2-CD2 4.08Å; L267-Y275 HydrophobicContact CD2-CE2 4.36Å; L267-Y275 HydrophobicContact CD2-CG 4.36Å; L267-Y275 HydrophobicContact CG-CE2 4.4Å; L267-K332 HydrophobicContact CD2-CD 4.46Å; L267-L336 HydrophobicContact CD1-CD2 3.76Å; L267-L336 HydrophobicContact CD2-CD2 4.38Å
268N94.2Very high90.7Very high2 Ų251 Ų511%0.01128%0.283CS..  trans-117.4117.6179.4-173-28.2000109.1C37 N248 I266 M270 Q271 D272C37-N268 PolarHBondContact O-ND2 3.17Å; N248-N268 HydrophobicContact CB-CB 4.12Å; I266-N268 HydrophobicContact CG2-CB 3.94Å; N268-M270 PolarHBondContact O-N 2.85Å; N268-M270 WeakPolarHBondContact OD1-CB 3.26Å; N268-M270 PolarHBondContact OD1-N 3.05Å; N268-Q271 HydrophobicContact CB-CB 4.34Å; N268-Q271 HydrophobicContact CB-CG 4.41Å; N268-Q271 PolarHBondContact O-N 2.86Å; N268-D272 WeakPolarHBondContact O-CB 3.02Å; N268-D272 PolarHBondContact O-N 3.1Å; N268-D272 VanDerWaalsContact O-N 3.13Å
269P93.9Very high91.4Very high10 Ų1050.5 Ų50.57%0.06528%0.28CS..THydrogen-bonded Turntrans-65.7-9.1-177.128.6-35.3000113.7C134 Y275 A276 M279C134-P269 HydrophobicContact CB-CG 3.92Å; P269-Y275 HydrophobicContact CB-CD1 4.27Å; P269-A276 HydrophobicContact CB-CB 3.93Å; P269-A276 VanDerWaalsContact O-CB 3.26Å; P269-A276 WeakPolarHBondContact O-CB 3.41Å; P269-M279 HydrophobicContact CB-SD 4.22Å
270M89.3Confident92.1Very high84 Ų8450.3 Ų50.341%0.41427%0.269SS..THydrogen-bonded Turntrans-89.7-14.4175.2-56-72.185.800113.7V4 P135 N268V4-M270 HydrophobicContact CB-SD 4.48Å; V4-M270 HydrophobicContact CG1-CG 3.98Å; V4-M270 HydrophobicContact CG1-SD 4.08Å; P135-M270 HydrophobicContact CG-CE 4.08Å; N268-M270 PolarHBondContact O-N 2.85Å; N268-M270 WeakPolarHBondContact OD1-CB 3.26Å; N268-M270 PolarHBondContact OD1-N 3.05Å
271Q88.9Confident92.7Very high74 Ų7447.2 Ų47.235%0.34624%0.243SC..THydrogen-bonded Turntrans-120.5-5-174.4-61.1170.26.700112A40 N268A40-Q271 VanDerWaalsContact N-NE2 3.13Å; N268-Q271 HydrophobicContact CB-CB 4.34Å; N268-Q271 HydrophobicContact CB-CG 4.41Å; N268-Q271 PolarHBondContact O-N 2.86Å
272D92.2Very high93.3Very high12 Ų1243.6 Ų43.66%0.06423%0.225CC..  trans-140.992.4-172.3-176.2-13.5000109.4N268 F274 Y275 A276 K332 H333N268-D272 WeakPolarHBondContact O-CB 3.02Å; N268-D272 PolarHBondContact O-N 3.1Å; N268-D272 VanDerWaalsContact O-N 3.13Å; D272-F274 PolarHBondContact O-N 3.21Å; D272-F274 PolarHBondContact OD1-N 2.94Å; D272-Y275 PolarHBondContact O-N 3.3Å; D272-Y275 PolarHBondContact OD1-N 3.43Å; D272-Y275 WeakPolarHBondContact OD2-CB 3.32Å; D272-A276 WeakPolarHBondContact O-CB 3.24Å; D272-A276 PolarHBondContact O-N 3.29Å; D272-K332 VanDerWaalsContact OD2-CE 3.32Å; D272-K332 WeakPolarHBondContact OD2-CE 3.34Å; D272-K332 IonicContact OD2-NZ 2.89Å; D272-K332 PolarHBondContact OD2-NZ 2.9Å; D272-H333 IonicContact OD1-NE2 3.33Å; D272-H333 PolarHBondContact OD1-NE2 2.79Å; D272-H333 IonicContact OD2-CE1 3.65Å; D272-H333 PolarHBondContact OD2-CE1 2.88Å; D272-H333 IonicContact OD2-NE2 3.21Å; D272-H333 PolarHBondContact OD2-NE2 3.15Å
273D92.5Very high93.5Very high133 Ų13344.7 Ų44.771%0.71123%0.23SC*.Hα-helixtrans-60.5-34.6-176.8-64.5-24.8000112.4T277D273-T277 WeakPolarHBondContact O-CB 3.37Å; D273-T277 PolarHBondContact O-N 3.31Å; D273-T277 VanDerWaalsContact O-N 3.1Å; D273-T277 PolarHBondContact O-OG1 3.33Å
274F93.9Very high93.5Very high32 Ų3241.3 Ų41.314%0.1423%0.233CC..Hα-helixtrans-67.7-49.1177.1179.6-103.3000110.6D272 A276 T277 N278 I286 N289 I290 M293 H333D272-F274 PolarHBondContact O-N 3.21Å; D272-F274 PolarHBondContact OD1-N 2.94Å; F274-A276 VanDerWaalsContact C-N 3.32Å; F274-A276 PolarHBondContact O-N 2.82Å; F274-T277 PolarHBondContact O-N 3.14Å; F274-N278 WeakPolarHBondContact CD2-ND2 3.44Å; F274-N278 HydrophobicContact CE1-CB 4.4Å; F274-N278 WeakPolarHBondContact CE2-ND2 3.37Å; F274-N278 HydrophobicContact CZ-CB 4.4Å; F274-N278 VanDerWaalsContact O-CB 3.28Å; F274-N278 WeakPolarHBondContact O-CB 3.23Å; F274-N278 PolarHBondContact O-N 2.9Å; F274-N278 PolarHBondContact O-ND2 2.9Å; F274-I286 HydrophobicContact CE1-CD1 3.85Å; F274-I286 HydrophobicContact CZ-CD1 3.78Å; F274-N289 HydrophobicContact CE2-CB 4.41Å; F274-N289 HydrophobicContact CZ-CB 4.43Å; F274-I290 HydrophobicContact CE1-CD1 4.49Å; F274-I290 HydrophobicContact CE1-CG1 3.85Å; F274-I290 HydrophobicContact CZ-CG1 3.59Å; F274-M293 HydrophobicContact CB-CE 3.63Å; F274-M293 HydrophobicContact CD1-CE 3.62Å; F274-M293 HydrophobicContact CD2-CE 2.91Å; F274-M293 HydrophobicContact CE1-CE 3.91Å; F274-M293 HydrophobicContact CE2-CE 3.25Å; F274-M293 HydrophobicContact CG-CE 3.07Å; F274-M293 HydrophobicContact CZ-CE 3.73Å; F274-H333 HydrophobicContact CD1-CB 4.27Å; F274-H333 AromaticContact CD1-CD2 3.36Å; F274-H333 WeakPolarHBondContact CD1-CD2 3.34Å; F274-H333 AromaticContact CD1-CE1 3.9Å; F274-H333 AromaticContact CD1-CG 3.57Å; F274-H333 AromaticContact CD1-ND1 3.89Å; F274-H333 AromaticContact CD1-NE2 3.62Å; F274-H333 HydrophobicContact CE1-CB 3.97Å; F274-H333 AromaticContact CE1-CD2 3.96Å; F274-H333 AromaticContact CE1-CG 3.72Å
275Y95.9Very high93.5Very high0 Ų041.4 Ų41.40%023%0.234CC..Hα-helixtrans-59-44.2175.6-177.5-115000111.7Y235 Q236 L267 P269 D272 T277 N278 M279Y235-Y275 HydrophobicContact CD1-CD2 4.07Å; Y235-Y275 HydrophobicContact CD1-CE2 4.16Å; Y235-Y275 AromaticContact CE1-CD2 3.8Å; Y235-Y275 HydrophobicContact CE1-CD2 3.8Å; Y235-Y275 HydrophobicContact CE1-CE2 4.17Å; Q236-Y275 HydrophobicContact CB-CE2 4.47Å; Q236-Y275 WeakPolarHBondContact CB-OH 3.32Å; Q236-Y275 VanDerWaalsContact CG-OH 3.22Å; Q236-Y275 WeakPolarHBondContact CG-OH 3.28Å; Q236-Y275 PolarHBondContact NE2-OH 3.25Å; L267-Y275 HydrophobicContact CB-CD1 4.17Å; L267-Y275 HydrophobicContact CB-CD2 4.39Å; L267-Y275 HydrophobicContact CB-CE1 3.86Å; L267-Y275 HydrophobicContact CB-CE2 4.11Å; L267-Y275 HydrophobicContact CB-CG 4.42Å; L267-Y275 HydrophobicContact CD1-CE2 4.01Å; L267-Y275 HydrophobicContact CD2-CD2 4.08Å; L267-Y275 HydrophobicContact CD2-CE2 4.36Å; L267-Y275 HydrophobicContact CD2-CG 4.36Å; L267-Y275 HydrophobicContact CG-CE2 4.4Å; P269-Y275 HydrophobicContact CB-CD1 4.27Å; D272-Y275 PolarHBondContact O-N 3.3Å; D272-Y275 PolarHBondContact OD1-N 3.43Å; D272-Y275 WeakPolarHBondContact OD2-CB 3.32Å; Y275-T277 VanDerWaalsContact C-N 3.26Å; Y275-T277 PolarHBondContact O-N 3.47Å; Y275-N278 PolarHBondContact O-N 3.05Å; Y275-N278 VanDerWaalsContact O-N 3.1Å; Y275-M279 HydrophobicContact CD2-CB 4.28Å; Y275-M279 HydrophobicContact CE1-CB 4.29Å; Y275-M279 HydrophobicContact CE2-CB 3.92Å; Y275-M279 WeakPolarHBondContact O-CA 3.31Å; Y275-M279 VanDerWaalsContact O-CB 3.27Å; Y275-M279 WeakPolarHBondContact O-CB 3.46Å; Y275-M279 PolarHBondContact O-N 3.01Å
276A95.1Very high93.5Very high38 Ų3841 Ų4131%0.31423%0.232SC..Hα-helixtrans-56.6-40.3178.800000112.8P269 D272 F274P269-A276 HydrophobicContact CB-CB 3.93Å; P269-A276 VanDerWaalsContact O-CB 3.26Å; P269-A276 WeakPolarHBondContact O-CB 3.41Å; D272-A276 WeakPolarHBondContact O-CB 3.24Å; D272-A276 PolarHBondContact O-N 3.29Å; F274-A276 VanDerWaalsContact C-N 3.32Å; F274-A276 PolarHBondContact O-N 2.82Å
277T95.1Very high93.4Very high117 Ų11738.8 Ų38.872%0.71822%0.224SC*.Hα-helixtrans-76.9-26.2-179.8-53.60000112.4D273 F274 Y275D273-T277 WeakPolarHBondContact O-CB 3.37Å; D273-T277 PolarHBondContact O-N 3.31Å; D273-T277 VanDerWaalsContact O-N 3.1Å; D273-T277 PolarHBondContact O-OG1 3.33Å; F274-T277 PolarHBondContact O-N 3.14Å; Y275-T277 VanDerWaalsContact C-N 3.26Å; Y275-T277 PolarHBondContact O-N 3.47Å
278N96.1Very high93.2Very high9 Ų943 Ų435%0.04824%0.243CC..Hα-helixtrans-117.2-3.8-167.2-72.8-83000115.1F274 Y275 Y280 A281 I286 N289F274-N278 WeakPolarHBondContact CD2-ND2 3.44Å; F274-N278 HydrophobicContact CE1-CB 4.4Å; F274-N278 WeakPolarHBondContact CE2-ND2 3.37Å; F274-N278 HydrophobicContact CZ-CB 4.4Å; F274-N278 VanDerWaalsContact O-CB 3.28Å; F274-N278 WeakPolarHBondContact O-CB 3.23Å; F274-N278 PolarHBondContact O-N 2.9Å; F274-N278 PolarHBondContact O-ND2 2.9Å; Y275-N278 PolarHBondContact O-N 3.05Å; Y275-N278 VanDerWaalsContact O-N 3.1Å; N278-Y280 PolarHBondContact O-N 3.03Å; N278-A281 VanDerWaalsContact O-CB 3.31Å; N278-A281 WeakPolarHBondContact O-CB 3.43Å; N278-A281 PolarHBondContact O-N 3.04Å; N278-I286 HydrophobicContact CB-CD1 3.63Å; N278-N289 WeakPolarHBondContact OD1-CB 3.42Å; N278-N289 PolarHBondContact OD1-ND2 3.06Å
279M96.8Very high93.2Very high9 Ų945.3 Ų45.34%0.04426%0.255CS..THydrogen-bonded Turntrans-56.5-26.6-174.459.7-176.4-60.100113.7Q236 P269 Y275Q236-M279 HydrophobicContact CB-CB 4.17Å; Q236-M279 VanDerWaalsContact CB-O 3.25Å; Q236-M279 WeakPolarHBondContact CB-O 3.42Å; Q236-M279 PolarHBondContact N-O 3.16Å; P269-M279 HydrophobicContact CB-SD 4.22Å; Y275-M279 HydrophobicContact CD2-CB 4.28Å; Y275-M279 HydrophobicContact CE1-CB 4.29Å; Y275-M279 HydrophobicContact CE2-CB 3.92Å; Y275-M279 WeakPolarHBondContact O-CA 3.31Å; Y275-M279 VanDerWaalsContact O-CB 3.27Å; Y275-M279 WeakPolarHBondContact O-CB 3.46Å; Y275-M279 PolarHBondContact O-N 3.01Å
280Y96Very high93Very high33 Ų3344.8 Ų44.813%0.12925%0.252CS..THydrogen-bonded Turntrans-104.51.4-179.9-62-44.1000114.4H136 N278 S517 L518 Y521H136-Y280 PolarHBondContact CE1-OH 3.08Å; H136-Y280 AromaticContact NE2-CZ 3.84Å; H136-Y280 PolarHBondContact NE2-OH 2.93Å; N278-Y280 PolarHBondContact O-N 3.03Å; Y280-S517 PolarHBondContact OH-OG 3.45Å; Y280-L518 HydrophobicContact CD1-CB 4.17Å; Y280-L518 HydrophobicContact CD1-CD1 3.64Å; Y280-L518 HydrophobicContact CE1-CB 4.37Å; Y280-L518 HydrophobicContact CE1-CD1 4.47Å; Y280-L518 HydrophobicContact CG-CD1 3.73Å; Y280-Y521 AromaticContact CD2-CD1 3.44Å; Y280-Y521 HydrophobicContact CD2-CD1 3.44Å; Y280-Y521 VanDerWaalsContact CD2-CD1 3.44Å; Y280-Y521 HydrophobicContact CD2-CD2 4.04Å; Y280-Y521 AromaticContact CD2-CE1 3.65Å; Y280-Y521 HydrophobicContact CD2-CE1 3.65Å; Y280-Y521 HydrophobicContact CD2-CE2 4.21Å; Y280-Y521 AromaticContact CD2-CG 3.64Å; Y280-Y521 HydrophobicContact CD2-CG 3.64Å; Y280-Y521 AromaticContact CE2-CD1 3.69Å; Y280-Y521 HydrophobicContact CE2-CD1 3.69Å; Y280-Y521 AromaticContact CE2-CD2 3.51Å; Y280-Y521 HydrophobicContact CE2-CD2 3.51Å; Y280-Y521 HydrophobicContact CE2-CE1 4.15Å; Y280-Y521 AromaticContact CE2-CE2 3.98Å; Y280-Y521 HydrophobicContact CE2-CE2 3.98Å; Y280-Y521 AromaticContact CE2-CG 3.34Å; Y280-Y521 HydrophobicContact CE2-CG 3.34Å; Y280-Y521 HydrophobicContact CG-CD1 4.21Å
281A95.2Very high93Very high13 Ų1343.5 Ų43.511%0.10724%0.244CC..  trans-64.4141.9175.200000110.3T234 Y235 N278 E285 I286T234-A281 CarbonylContact C-O 3.57Å; T234-A281 VanDerWaalsContact CA-O 3.3Å; T234-A281 WeakPolarHBondContact CA-O 3.25Å; Y235-A281 PolarHBondContact N-O 3.41Å; N278-A281 VanDerWaalsContact O-CB 3.31Å; N278-A281 WeakPolarHBondContact O-CB 3.43Å; N278-A281 PolarHBondContact O-N 3.04Å; A281-E285 HydrophobicContact CB-CB 4.02Å; A281-I286 HydrophobicContact CB-CB 4.2Å
282S94.1Very high93.2Very high27 Ų2744.4 Ų44.419%0.18925%0.249CC..BIsolated β-bridgetrans-62.6160.1171.266.20000111W233 G284 E285 I286W233-S282 CarbonylContact O-C 3.53Å; W233-S282 WeakPolarHBondContact O-CA 3.27Å; S282-G284 PolarHBondContact O-N 3.24Å; S282-E285 WeakPolarHBondContact CB-OE2 3.46Å; S282-E285 PolarHBondContact N-OE2 2.86Å; S282-E285 PolarHBondContact O-N 2.78Å; S282-E285 VanDerWaalsContact O-N 3.08Å; S282-E285 WeakPolarHBondContact OG-CB 3.44Å; S282-E285 WeakPolarHBondContact OG-CG 3.43Å; S282-E285 PolarHBondContact OG-N 2.98Å; S282-E285 PolarHBondContact OG-OE2 3.43Å; S282-I286 WeakPolarHBondContact O-CG2 3.22Å; S282-I286 PolarHBondContact O-N 3.36Å
283F91.2Very high93Very high41 Ų4145.5 Ų45.518%0.1825%0.254CS..Hα-helixtrans-54.8-36.2-179.9-176.1-116.4000113.5W233 M238 I286 A287 I337 L340W233-F283 HydrophobicContact CE3-CB 3.9Å; W233-F283 HydrophobicContact CE3-CD1 4.17Å; W233-F283 HydrophobicContact CE3-CG 4.17Å; W233-F283 HydrophobicContact CZ3-CB 4.47Å; W233-F283 AromaticContact CZ3-CD1 3.89Å; W233-F283 HydrophobicContact CZ3-CD1 3.89Å; W233-F283 HydrophobicContact CZ3-CE1 4.44Å; W233-F283 HydrophobicContact CZ3-CG 4.26Å; W233-F283 PolarHBondContact O-N 2.93Å; M238-F283 HydrophobicContact CE-CD2 4.02Å; M238-F283 HydrophobicContact CE-CE2 3.97Å; M238-F283 HydrophobicContact CE-CG 4.47Å; M238-F283 HydrophobicContact CE-CZ 4.41Å; M238-F283 HydrophobicContact SD-CB 4.38Å; M238-F283 HydrophobicContact SD-CD2 3.38Å; M238-F283 WeakPolarHBondContact SD-CD2 3.43Å; M238-F283 HydrophobicContact SD-CE2 3.81Å; M238-F283 HydrophobicContact SD-CG 3.99Å; F283-I286 VanDerWaalsContact O-CG2 3.25Å; F283-I286 WeakPolarHBondContact O-CG2 3.28Å; F283-A287 PolarHBondContact O-N 3.29Å; F283-I337 HydrophobicContact CD2-CD1 3.79Å; F283-I337 HydrophobicContact CE2-CD1 3.46Å; F283-I337 VanDerWaalsContact CE2-CD1 3.46Å; F283-I337 HydrophobicContact CE2-CG1 4.35Å; F283-I337 HydrophobicContact CZ-CD1 4.46Å; F283-L340 HydrophobicContact CE2-CB 4.12Å
284G89.2Confident92.6Very high53 Ų5339.2 Ų39.255%0.54622%0.22SC..Hα-helixtrans-70.2-46.1174.600000112.9S282 A287 Q288S282-G284 PolarHBondContact O-N 3.24Å; G284-A287 PolarHBondContact O-N 2.77Å; G284-Q288 PolarHBondContact O-N 3.02Å
285E93Very high92.4Very high108 Ų10840.1 Ų40.151%0.50523%0.227SC..Hα-helixtrans-63.4-43179-71.4163.7155.900111.9A281 S282 A287 Q288 N289A281-E285 HydrophobicContact CB-CB 4.02Å; S282-E285 WeakPolarHBondContact CB-OE2 3.46Å; S282-E285 PolarHBondContact N-OE2 2.86Å; S282-E285 PolarHBondContact O-N 2.78Å; S282-E285 VanDerWaalsContact O-N 3.08Å; S282-E285 WeakPolarHBondContact OG-CB 3.44Å; S282-E285 WeakPolarHBondContact OG-CG 3.43Å; S282-E285 PolarHBondContact OG-N 2.98Å; S282-E285 PolarHBondContact OG-OE2 3.43Å; E285-A287 VanDerWaalsContact C-N 3.33Å; E285-A287 PolarHBondContact O-N 3.25Å; E285-Q288 WeakPolarHBondContact O-CB 3.32Å; E285-Q288 PolarHBondContact O-N 3.01Å; E285-N289 WeakPolarHBondContact O-CB 3.43Å; E285-N289 PolarHBondContact O-N 2.78Å; E285-N289 PolarHBondContact O-OD1 3.36Å
286I92.7Very high91.9Very high0 Ų045.6 Ų45.60%025%0.252CS..Hα-helixtrans-65.7-36.8179.4-173.253.6000112.2Y235 F274 N278 A281 S282 F283 Q288 N289 I290 I337Y235-I286 HydrophobicContact CD1-CD1 3.98Å; Y235-I286 HydrophobicContact CD1-CG1 3.9Å; Y235-I286 HydrophobicContact CD2-CG1 3.94Å; Y235-I286 HydrophobicContact CD2-CG2 4.44Å; Y235-I286 HydrophobicContact CE1-CD1 4.15Å; Y235-I286 HydrophobicContact CE1-CG1 4.18Å; Y235-I286 HydrophobicContact CE2-CG1 4.23Å; Y235-I286 HydrophobicContact CG-CB 4.43Å; Y235-I286 HydrophobicContact CG-CD1 4.34Å; Y235-I286 HydrophobicContact CG-CG1 3.77Å; F274-I286 HydrophobicContact CE1-CD1 3.85Å; F274-I286 HydrophobicContact CZ-CD1 3.78Å; N278-I286 HydrophobicContact CB-CD1 3.63Å; A281-I286 HydrophobicContact CB-CB 4.2Å; S282-I286 WeakPolarHBondContact O-CG2 3.22Å; S282-I286 PolarHBondContact O-N 3.36Å; F283-I286 VanDerWaalsContact O-CG2 3.25Å; F283-I286 WeakPolarHBondContact O-CG2 3.28Å; I286-Q288 VanDerWaalsContact C-N 3.3Å; I286-Q288 PolarHBondContact O-N 2.99Å; I286-N289 PolarHBondContact O-N 2.86Å; I286-I290 HydrophobicContact CD1-CD1 4.1Å; I286-I290 HydrophobicContact CD1-CG1 4.07Å; I286-I290 HydrophobicContact CG1-CD1 3.92Å; I286-I290 HydrophobicContact CG1-CG1 4.36Å; I286-I290 WeakPolarHBondContact O-CB 3.31Å; I286-I290 VanDerWaalsContact O-CG1 3.28Å; I286-I290 WeakPolarHBondContact O-CG1 3.39Å; I286-I290 PolarHBondContact O-N 2.62Å; I286-I337 HydrophobicContact CG2-CD1 3.61Å
287A90.3Very high91.2Very high20 Ų2045 Ų4517%0.16524%0.243CC..Hα-helixtrans-62.2-41.1175.100000111.2F283 G284 E285 K291 I310F283-A287 PolarHBondContact O-N 3.29Å; G284-A287 PolarHBondContact O-N 2.77Å; E285-A287 VanDerWaalsContact C-N 3.33Å; E285-A287 PolarHBondContact O-N 3.25Å; A287-K291 PolarHBondContact O-N 3.25Å; A287-K291 VanDerWaalsContact O-N 3.13Å; A287-I310 HydrophobicContact CB-CD1 4Å; A287-I310 HydrophobicContact CB-CG1 4.45Å
288Q92Very high90.7Very high88 Ų8840.1 Ų40.141%0.41121%0.211SC..Hα-helixtrans-66.8-45.2175.7-178.156.638.800111.8G284 E285 I286 I290 K291 E292G284-Q288 PolarHBondContact O-N 3.02Å; E285-Q288 WeakPolarHBondContact O-CB 3.32Å; E285-Q288 PolarHBondContact O-N 3.01Å; I286-Q288 VanDerWaalsContact C-N 3.3Å; I286-Q288 PolarHBondContact O-N 2.99Å; Q288-I290 VanDerWaalsContact C-N 3.33Å; Q288-I290 PolarHBondContact O-N 3.44Å; Q288-K291 WeakPolarHBondContact O-CB 3.36Å; Q288-K291 PolarHBondContact O-N 3.42Å; Q288-K291 VanDerWaalsContact O-N 3.11Å; Q288-E292 PolarHBondContact NE2-OE1 3.32Å; Q288-E292 PolarHBondContact O-N 3.06Å
289N93.2Very high90.2Very high50 Ų5046.8 Ų46.827%0.26724%0.24SC..Hα-helixtrans-66.6-34.2-179.4-64.8-8000112.2F274 N278 E285 I286 M293F274-N289 HydrophobicContact CE2-CB 4.41Å; F274-N289 HydrophobicContact CZ-CB 4.43Å; N278-N289 WeakPolarHBondContact OD1-CB 3.42Å; N278-N289 PolarHBondContact OD1-ND2 3.06Å; E285-N289 WeakPolarHBondContact O-CB 3.43Å; E285-N289 PolarHBondContact O-N 2.78Å; E285-N289 PolarHBondContact O-OD1 3.36Å; I286-N289 PolarHBondContact O-N 2.86Å; N289-M293 WeakPolarHBondContact O-CB 3.2Å; N289-M293 PolarHBondContact O-N 2.74Å
290I90.8Very high89.5Confident0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-67.3-40172.4-71.2171.3000110.8F274 I286 Q288 M293 M294 M313 H333 V334 I337F274-I290 HydrophobicContact CE1-CD1 4.49Å; F274-I290 HydrophobicContact CE1-CG1 3.85Å; F274-I290 HydrophobicContact CZ-CG1 3.59Å; I286-I290 HydrophobicContact CD1-CD1 4.1Å; I286-I290 HydrophobicContact CD1-CG1 4.07Å; I286-I290 HydrophobicContact CG1-CD1 3.92Å; I286-I290 HydrophobicContact CG1-CG1 4.36Å; I286-I290 WeakPolarHBondContact O-CB 3.31Å; I286-I290 VanDerWaalsContact O-CG1 3.28Å; I286-I290 WeakPolarHBondContact O-CG1 3.39Å; I286-I290 PolarHBondContact O-N 2.62Å; Q288-I290 VanDerWaalsContact C-N 3.33Å; Q288-I290 PolarHBondContact O-N 3.44Å; I290-M293 PolarHBondContact O-N 3.37Å; I290-M294 WeakPolarHBondContact O-CB 3.22Å; I290-M294 PolarHBondContact O-N 3.04Å; I290-M313 HydrophobicContact CG2-CE 4.3Å; I290-M313 HydrophobicContact CG2-SD 4.2Å; I290-H333 HydrophobicContact CD1-CB 4.01Å; I290-H333 HydrophobicContact CG1-CB 4.29Å; I290-V334 HydrophobicContact CG2-CG2 3.55Å; I290-I337 HydrophobicContact CD1-CB 3.64Å; I290-I337 HydrophobicContact CD1-CG1 4.14Å; I290-I337 HydrophobicContact CD1-CG2 3.57Å; I290-I337 HydrophobicContact CG2-CG2 4.43Å
291K89.6Confident88.8Confident56 Ų5654 Ų5424%0.24328%0.278CS..Hα-helixtrans-61.6-45.6175.2-178.8178.8179.8172.80111.5A287 Q288 M293 M294 D295 L307 M313A287-K291 PolarHBondContact O-N 3.25Å; A287-K291 VanDerWaalsContact O-N 3.13Å; Q288-K291 WeakPolarHBondContact O-CB 3.36Å; Q288-K291 PolarHBondContact O-N 3.42Å; Q288-K291 VanDerWaalsContact O-N 3.11Å; K291-M293 PolarHBondContact O-N 3.3Å; K291-M294 WeakPolarHBondContact O-CB 3.32Å; K291-M294 PolarHBondContact O-N 2.84Å; K291-M294 VanDerWaalsContact O-N 3.1Å; K291-D295 PolarHBondContact O-N 2.96Å; K291-L307 VanDerWaalsContact CE-O 3.27Å; K291-L307 WeakPolarHBondContact CE-O 3.36Å; K291-M313 HydrophobicContact CB-CE 4.32Å; K291-M313 HydrophobicContact CB-SD 3.97Å; K291-M313 HydrophobicContact CG-SD 4.4Å
292E91.1Very high88.2Confident93 Ų9362 Ų6244%0.43531%0.31SS..Hα-helixtrans-61.3-45.1176.6-72.7172.2-166.100112.1Q288 M294 D295 E296Q288-E292 PolarHBondContact NE2-OE1 3.32Å; Q288-E292 PolarHBondContact O-N 3.06Å; E292-M294 PolarHBondContact O-N 3.4Å; E292-D295 PolarHBondContact O-N 3.14Å; E292-E296 WeakPolarHBondContact O-CG 3.41Å; E292-E296 PolarHBondContact O-N 2.94Å
293M88.9Confident87.5Confident36 Ų3662.1 Ų62.118%0.17731%0.31CS..Hα-helixtrans-56.6-42.3172.7-180-159.6-7600111.4F274 N289 I290 K291 F297 V330F274-M293 HydrophobicContact CB-CE 3.63Å; F274-M293 HydrophobicContact CD1-CE 3.62Å; F274-M293 HydrophobicContact CD2-CE 2.91Å; F274-M293 HydrophobicContact CE1-CE 3.91Å; F274-M293 HydrophobicContact CE2-CE 3.25Å; F274-M293 HydrophobicContact CG-CE 3.07Å; F274-M293 HydrophobicContact CZ-CE 3.73Å; N289-M293 WeakPolarHBondContact O-CB 3.2Å; N289-M293 PolarHBondContact O-N 2.74Å; I290-M293 PolarHBondContact O-N 3.37Å; K291-M293 PolarHBondContact O-N 3.3Å; M293-F297 WeakPolarHBondContact O-CB 3.5Å; M293-F297 PolarHBondContact O-N 3.02Å; M293-V330 HydrophobicContact CG-CG2 3.92Å; M293-V330 HydrophobicContact SD-CB 3.84Å; M293-V330 HydrophobicContact SD-CG1 3.95Å; M293-V330 HydrophobicContact SD-CG2 3.32Å; M293-V330 WeakPolarHBondContact SD-CG2 3.47Å
294M85.2Confident86.9Confident0 Ų068.3 Ų68.30%034%0.339CS..Hα-helixtrans-67.3-42.6-179.8-168.6158.8-162.900112.1I290 K291 E292 F297 Q298 L307 M313 F316 V317 F323 V334I290-M294 WeakPolarHBondContact O-CB 3.22Å; I290-M294 PolarHBondContact O-N 3.04Å; K291-M294 WeakPolarHBondContact O-CB 3.32Å; K291-M294 PolarHBondContact O-N 2.84Å; K291-M294 VanDerWaalsContact O-N 3.1Å; E292-M294 PolarHBondContact O-N 3.4Å; M294-F297 PolarHBondContact O-N 3.49Å; M294-Q298 WeakPolarHBondContact O-CG 3.19Å; M294-Q298 PolarHBondContact O-N 2.94Å; M294-L307 HydrophobicContact CE-CD1 3.47Å; M294-L307 VanDerWaalsContact CE-CD1 3.47Å; M294-L307 HydrophobicContact CG-CD1 3.79Å; M294-L307 HydrophobicContact SD-CD1 3.49Å; M294-L307 WeakPolarHBondContact SD-CD1 3.48Å; M294-M313 HydrophobicContact CB-SD 4.35Å; M294-M313 HydrophobicContact CE-CB 4.24Å; M294-M313 WeakPolarHBondContact CE-O 3.42Å; M294-M313 HydrophobicContact SD-CB 3.43Å; M294-M313 WeakPolarHBondContact SD-CB 3.45Å; M294-M313 HydrophobicContact SD-CG 3.36Å; M294-M313 WeakPolarHBondContact SD-CG 3.43Å; M294-M313 HydrophobicContact SD-SD 3.75Å; M294-F316 HydrophobicContact CE-CB 3.68Å; M294-F316 HydrophobicContact CE-CD1 3.18Å; M294-F316 HydrophobicContact CE-CE1 4.01Å; M294-F316 HydrophobicContact CE-CG 3.6Å; M294-V317 HydrophobicContact CE-CG2 3.9Å; M294-F323 HydrophobicContact CE-CZ 4.15Å; M294-F323 HydrophobicContact CG-CZ 4.31Å; M294-V334 HydrophobicContact SD-CG2 4.36Å
295D88Confident86.5Confident52 Ų5269.2 Ų69.228%0.27833%0.33SS..Hα-helixtrans-62.9-42.7176.3-72.4-17000111.5K291 E292 F297 Q298 K299K291-D295 PolarHBondContact O-N 2.96Å; E292-D295 PolarHBondContact O-N 3.14Å; D295-F297 VanDerWaalsContact C-N 3.29Å; D295-F297 PolarHBondContact O-N 2.85Å; D295-Q298 PolarHBondContact O-N 3.1Å; D295-K299 WeakPolarHBondContact O-CG 3.23Å; D295-K299 PolarHBondContact O-N 2.89Å
296E85.8Confident86Confident115 Ų11572.2 Ų72.254%0.53734%0.341SS..Hα-helixtrans-60.9-40.8173.4-75.5-170175.500112.1E292 K300E292-E296 WeakPolarHBondContact O-CG 3.41Å; E292-E296 PolarHBondContact O-N 2.94Å; E296-K300 PolarHBondContact O-N 3.28Å
297F81.2Confident85.7Confident26 Ų2672.8 Ų72.811%0.11434%0.344CS..Hα-helixtrans-69.3-42.7178.3-167.9-75.8000111.5M293 M294 D295 K299 K300 A301 F323 M326 V330M293-F297 WeakPolarHBondContact O-CB 3.5Å; M293-F297 PolarHBondContact O-N 3.02Å; M294-F297 PolarHBondContact O-N 3.49Å; D295-F297 VanDerWaalsContact C-N 3.29Å; D295-F297 PolarHBondContact O-N 2.85Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 2.83Å; F297-K300 CarbonylContact O-C 2.82Å; F297-K300 WeakPolarHBondContact O-CA 3.46Å; F297-K300 WeakPolarHBondContact O-CB 3.49Å; F297-K300 PolarHBondContact O-N 3.2Å; F297-A301 HydrophobicContact CD1-CB 4.19Å; F297-A301 HydrophobicContact CE1-CB 3.98Å; F297-A301 WeakPolarHBondContact O-CB 3.44Å; F297-A301 PolarHBondContact O-N 3.33Å; F297-F323 HydrophobicContact CB-CE2 4.35Å; F297-F323 HydrophobicContact CB-CZ 4.1Å; F297-F323 AromaticContact CD1-CD2 3.46Å; F297-F323 HydrophobicContact CD1-CD2 3.46Å; F297-F323 VanDerWaalsContact CD1-CD2 3.46Å; F297-F323 HydrophobicContact CD1-CE1 4.18Å; F297-F323 AromaticContact CD1-CE2 2.92Å; F297-F323 HydrophobicContact CD1-CE2 2.92Å; F297-F323 HydrophobicContact CD1-CG 4.31Å; F297-F323 AromaticContact CD1-CZ 3.33Å; F297-F323 HydrophobicContact CD1-CZ 3.33Å; F297-F323 HydrophobicContact CE1-CD1 4.38Å; F297-F323 AromaticContact CE1-CD2 3.22Å; F297-F323 HydrophobicContact CE1-CD2 3.22Å; F297-F323 HydrophobicContact CE1-CE1 4.36Å; F297-F323 AromaticContact CE1-CE2 3.27Å; F297-F323 HydrophobicContact CE1-CE2 3.27Å; F297-F323 AromaticContact CE1-CG 3.84Å; F297-F323 HydrophobicContact CE1-CG 3.84Å; F297-F323 AromaticContact CE1-CZ 3.85Å; F297-F323 HydrophobicContact CE1-CZ 3.85Å; F297-F323 AromaticContact CG-CE2 3.86Å; F297-F323 HydrophobicContact CG-CE2 3.86Å; F297-F323 AromaticContact CG-CZ 3.79Å; F297-F323 HydrophobicContact CG-CZ 3.79Å; F297-F323 HydrophobicContact CZ-CD2 4.25Å; F297-F323 HydrophobicContact CZ-CE2 4.41Å; F297-M326 HydrophobicContact CE1-CE 4.25Å; F297-M326 HydrophobicContact CE1-SD 4.48Å; F297-M326 HydrophobicContact CE2-CB 4.15Å; F297-M326 HydrophobicContact CZ-CB 3.5Å; F297-M326 HydrophobicContact CZ-CE 3.75Å; F297-M326 HydrophobicContact CZ-CG 4.42Å; F297-M326 HydrophobicContact CZ-SD 4.12Å; F297-V330 HydrophobicContact CD2-CG2 4.29Å
298Q84.4Confident85.4Confident13 Ų1377.7 Ų77.76%0.06136%0.363CS..Hα-helixtrans-56.4-42.8175-80.7-168.6-23.300111.9M294 D295 K300 A301 K302 T303 Q305 F316M294-Q298 WeakPolarHBondContact O-CG 3.19Å; M294-Q298 PolarHBondContact O-N 2.94Å; D295-Q298 PolarHBondContact O-N 3.1Å; Q298-K300 VanDerWaalsContact C-N 3.32Å; Q298-K300 PolarHBondContact O-N 2.83Å; Q298-A301 CarbonylContact O-C 3.6Å; Q298-A301 PolarHBondContact O-N 3.02Å; Q298-K302 PolarHBondContact O-N 3.39Å; Q298-T303 PolarHBondContact O-N 3.36Å; Q298-T303 VanDerWaalsContact O-N 3.12Å; Q298-Q305 PolarHBondContact NE2-O 3.12Å; Q298-Q305 PolarHBondContact OE1-O 2.93Å; Q298-F316 HydrophobicContact CG-CZ 4.17Å
299K85.4Confident85.3Confident150 Ų15075.7 Ų75.765%0.65236%0.359SS*.Hα-helixtrans-57-44173.4-70.9169.1-1721690111.7D295 F297 K302D295-K299 WeakPolarHBondContact O-CG 3.23Å; D295-K299 PolarHBondContact O-N 2.89Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 2.83Å; K299-K302 PolarHBondContact O-N 3.04Å
300K82.4Confident85Confident160 Ų16074.8 Ų74.870%0.69635%0.354SS*.Hα-helixtrans-68.4-37.9177-69.1175.3-175.8170.20112.5E296 F297 Q298 K302E296-K300 PolarHBondContact O-N 3.28Å; F297-K300 CarbonylContact O-C 2.82Å; F297-K300 WeakPolarHBondContact O-CA 3.46Å; F297-K300 WeakPolarHBondContact O-CB 3.49Å; F297-K300 PolarHBondContact O-N 3.2Å; Q298-K300 VanDerWaalsContact C-N 3.32Å; Q298-K300 PolarHBondContact O-N 2.83Å; K300-K302 VanDerWaalsContact C-N 3.25Å; K300-K302 PolarHBondContact O-N 3.45Å
301A80.7Confident84.8Confident34 Ų3477.4 Ų77.428%0.28138%0.375SS..Hα-helixtrans-78.6-5.3178.700000113.8F297 Q298 T303F297-A301 HydrophobicContact CD1-CB 4.19Å; F297-A301 HydrophobicContact CE1-CB 3.98Å; F297-A301 WeakPolarHBondContact O-CB 3.44Å; F297-A301 PolarHBondContact O-N 3.33Å; Q298-A301 CarbonylContact O-C 3.6Å; Q298-A301 PolarHBondContact O-N 3.02Å; A301-T303 PolarHBondContact O-N 3.06Å
302K82.6Confident84.8Confident179 Ų17977.5 Ų77.578%0.77838%0.379SS*.THydrogen-bonded Turntrans55.136.1-175.2-58.3-179.9178.7179.30112.8Q298 K299 K300Q298-K302 PolarHBondContact O-N 3.39Å; K299-K302 PolarHBondContact O-N 3.04Å; K300-K302 VanDerWaalsContact C-N 3.25Å; K300-K302 PolarHBondContact O-N 3.45Å
303T79.5Confident84.6Confident31 Ų3173.3 Ų73.319%0.1936%0.359CS..  trans-108.5139.617351.70000109.4Q298 A301Q298-T303 PolarHBondContact O-N 3.36Å; Q298-T303 VanDerWaalsContact O-N 3.12Å; A301-T303 PolarHBondContact O-N 3.06Å
304H78.2Confident84.6Confident170 Ų17072.8 Ų72.879%0.78736%0.356SS*.  trans-127.766.1-174.9-66-58.6000110.9
305Q81.2Confident84.7Confident73 Ų7376.5 Ų76.534%0.34138%0.375SS..  trans-99.1135.5172.1-66.8-165.89.500110.1Q298 L307 F316 Y320Q298-Q305 PolarHBondContact NE2-O 3.12Å; Q298-Q305 PolarHBondContact OE1-O 2.93Å; Q305-L307 HydrophobicContact CB-CD2 4.33Å; Q305-L307 PolarHBondContact O-N 3.2Å; Q305-F316 HydrophobicContact CB-CD2 4.17Å; Q305-F316 HydrophobicContact CB-CE2 3.96Å; Q305-F316 HydrophobicContact CG-CD2 4.32Å; Q305-F316 HydrophobicContact CG-CE2 3.92Å; Q305-Y320 PolarHBondContact NE2-OH 3.32Å
306K83.7Confident84.6Confident170 Ų17074.1 Ų74.174%0.73936%0.362SS*.  trans-75.9110.5174.7-161.7-172.3-166.3-159.50108.7E308K306-E308 HydrophobicContact CD-CG 4.38Å; K306-E308 WeakPolarHBondContact CE-OE1 3.33Å; K306-E308 HydrophobicContact CG-CG 4.26Å; K306-E308 IonicContact NZ-OE1 2.7Å; K306-E308 PolarHBondContact NZ-OE1 3.19Å
307L84.8Confident84.5Confident12 Ų1269 Ų696%0.06334%0.339CS..  trans-107.6109.2177.3-56179.7000108.7K291 M294 Q305 D312 M313 F316K291-L307 VanDerWaalsContact CE-O 3.27Å; K291-L307 WeakPolarHBondContact CE-O 3.36Å; M294-L307 HydrophobicContact CE-CD1 3.47Å; M294-L307 VanDerWaalsContact CE-CD1 3.47Å; M294-L307 HydrophobicContact CG-CD1 3.79Å; M294-L307 HydrophobicContact SD-CD1 3.49Å; M294-L307 WeakPolarHBondContact SD-CD1 3.48Å; Q305-L307 HydrophobicContact CB-CD2 4.33Å; Q305-L307 PolarHBondContact O-N 3.2Å; L307-D312 HydrophobicContact CB-CB 4.39Å; L307-D312 HydrophobicContact CD2-CB 3.9Å; L307-M313 HydrophobicContact CB-CG 4.23Å; L307-M313 HydrophobicContact CD1-CG 4.29Å; L307-F316 HydrophobicContact CD1-CB 4.31Å; L307-F316 HydrophobicContact CD1-CD2 4.24Å; L307-F316 HydrophobicContact CD1-CG 4.14Å; L307-F316 HydrophobicContact CD2-CB 4.05Å; L307-F316 HydrophobicContact CD2-CD2 4.01Å; L307-F316 HydrophobicContact CD2-CG 4.3Å
308E85.3Confident84.7Confident124 Ų12472.7 Ų72.758%0.57936%0.356SS*.  trans-100.6-33.5-176.8-68-170163.100112.2K306 D312K306-E308 HydrophobicContact CD-CG 4.38Å; K306-E308 WeakPolarHBondContact CE-OE1 3.33Å; K306-E308 HydrophobicContact CG-CG 4.26Å; K306-E308 IonicContact NZ-OE1 2.7Å; K306-E308 PolarHBondContact NZ-OE1 3.19Å; E308-D312 PolarHBondContact N-OD2 3Å; E308-D312 VanDerWaalsContact N-OD2 3.15Å
309S88.3Confident84.6Confident46 Ų4678 Ų7832%0.32238%0.381SS..SBendtrans-119.7162.3-173.773.80000113.4A311 D312 M313S309-A311 PolarHBondContact O-N 2.81Å; S309-A311 PolarHBondContact OG-N 3Å; S309-D312 WeakPolarHBondContact CB-OD2 3.44Å; S309-D312 PolarHBondContact N-OD2 3.23Å; S309-D312 PolarHBondContact O-N 2.96Å; S309-D312 VanDerWaalsContact O-N 3.17Å; S309-D312 PolarHBondContact OG-N 3.05Å; S309-D312 VanDerWaalsContact OG-N 3.14Å; S309-D312 PolarHBondContact OG-OD1 3.01Å; S309-D312 PolarHBondContact OG-OD2 2.75Å; S309-M313 WeakPolarHBondContact O-CG 3.18Å; S309-M313 PolarHBondContact O-N 3.05Å; S309-M313 VanDerWaalsContact O-N 3.12Å
310I86.9Confident84.3Confident30 Ų3074 Ų7415%0.15436%0.362CS..Hα-helixtrans-58.9-33.4171.8-63.1166.3000111.4A287 M313 K314 I337 S338A287-I310 HydrophobicContact CB-CD1 4Å; A287-I310 HydrophobicContact CB-CG1 4.45Å; I310-M313 HydrophobicContact CB-CE 4.22Å; I310-M313 HydrophobicContact CG1-CE 3.84Å; I310-M313 PolarHBondContact O-N 2.65Å; I310-K314 PolarHBondContact O-N 3.05Å; I310-I337 HydrophobicContact CD1-CG1 4.1Å; I310-I337 HydrophobicContact CG2-CG2 3.94Å; I310-S338 VanDerWaalsContact CG2-CA 3.47Å
311A87.3Confident83.9Confident55 Ų5570.2 Ų70.246%0.45535%0.354SS..Hα-helixtrans-65.2-44.1176.400000111.5S309 M313 K314 I315S309-A311 PolarHBondContact O-N 2.81Å; S309-A311 PolarHBondContact OG-N 3Å; A311-M313 VanDerWaalsContact C-N 3.3Å; A311-M313 PolarHBondContact O-N 2.84Å; A311-K314 PolarHBondContact O-N 3.32Å; A311-I315 WeakPolarHBondContact O-CG1 3.16Å; A311-I315 PolarHBondContact O-N 2.99Å
312D89.1Confident83.5Confident58 Ų5874.5 Ų74.531%0.3137%0.368SS..Hα-helixtrans-60.6-43.7176.7-53.5-36.3000110.8L307 E308 S309 K314 I315 F316L307-D312 HydrophobicContact CB-CB 4.39Å; L307-D312 HydrophobicContact CD2-CB 3.9Å; E308-D312 PolarHBondContact N-OD2 3Å; E308-D312 VanDerWaalsContact N-OD2 3.15Å; S309-D312 WeakPolarHBondContact CB-OD2 3.44Å; S309-D312 PolarHBondContact N-OD2 3.23Å; S309-D312 PolarHBondContact O-N 2.96Å; S309-D312 VanDerWaalsContact O-N 3.17Å; S309-D312 PolarHBondContact OG-N 3.05Å; S309-D312 VanDerWaalsContact OG-N 3.14Å; S309-D312 PolarHBondContact OG-OD1 3.01Å; S309-D312 PolarHBondContact OG-OD2 2.75Å; D312-K314 VanDerWaalsContact C-N 3.34Å; D312-K314 PolarHBondContact O-N 2.73Å; D312-I315 PolarHBondContact O-N 2.77Å; D312-F316 VanDerWaalsContact O-CB 3.29Å; D312-F316 WeakPolarHBondContact O-CB 3.46Å; D312-F316 PolarHBondContact O-N 2.65Å
313M88.5Confident82.9Confident6 Ų666.3 Ų66.33%0.0333%0.333CS..Hα-helixtrans-59.7-43.6176.7-66.3-165.2-75.700111.9I290 K291 M294 L307 S309 I310 A311 F316 V317 V334I290-M313 HydrophobicContact CG2-CE 4.3Å; I290-M313 HydrophobicContact CG2-SD 4.2Å; K291-M313 HydrophobicContact CB-CE 4.32Å; K291-M313 HydrophobicContact CB-SD 3.97Å; K291-M313 HydrophobicContact CG-SD 4.4Å; M294-M313 HydrophobicContact CB-SD 4.35Å; M294-M313 HydrophobicContact CE-CB 4.24Å; M294-M313 WeakPolarHBondContact CE-O 3.42Å; M294-M313 HydrophobicContact SD-CB 3.43Å; M294-M313 WeakPolarHBondContact SD-CB 3.45Å; M294-M313 HydrophobicContact SD-CG 3.36Å; M294-M313 WeakPolarHBondContact SD-CG 3.43Å; M294-M313 HydrophobicContact SD-SD 3.75Å; L307-M313 HydrophobicContact CB-CG 4.23Å; L307-M313 HydrophobicContact CD1-CG 4.29Å; S309-M313 WeakPolarHBondContact O-CG 3.18Å; S309-M313 PolarHBondContact O-N 3.05Å; S309-M313 VanDerWaalsContact O-N 3.12Å; I310-M313 HydrophobicContact CB-CE 4.22Å; I310-M313 HydrophobicContact CG1-CE 3.84Å; I310-M313 PolarHBondContact O-N 2.65Å; A311-M313 VanDerWaalsContact C-N 3.3Å; A311-M313 PolarHBondContact O-N 2.84Å; M313-F316 PolarHBondContact O-N 3.4Å; M313-V317 WeakPolarHBondContact O-CG2 3.31Å; M313-V317 PolarHBondContact O-N 2.8Å; M313-V334 HydrophobicContact CB-CG1 3.97Å
314K87.5Confident82.4Confident24 Ų2467.8 Ų67.810%0.10434%0.336CS..Hα-helixtrans-63.2-51177.9-165.9-158.4-158.5144.70111.7S257 I310 A311 D312 F316 V317 E318 V334 S338 E339S257-K314 WeakPolarHBondContact OG-CE 3.11Å; S257-K314 PolarHBondContact OG-NZ 2.96Å; I310-K314 PolarHBondContact O-N 3.05Å; A311-K314 PolarHBondContact O-N 3.32Å; D312-K314 VanDerWaalsContact C-N 3.34Å; D312-K314 PolarHBondContact O-N 2.73Å; K314-F316 PolarHBondContact O-N 2.82Å; K314-V317 PolarHBondContact O-N 3.02Å; K314-V317 VanDerWaalsContact O-N 3.13Å; K314-E318 VanDerWaalsContact CE-OE1 3.3Å; K314-E318 WeakPolarHBondContact CE-OE1 3.43Å; K314-E318 WeakPolarHBondContact O-CG 3.35Å; K314-E318 PolarHBondContact O-N 3.42Å; K314-V334 HydrophobicContact CB-CG1 4.46Å; K314-S338 VanDerWaalsContact CD-OG 3.28Å; K314-S338 WeakPolarHBondContact CD-OG 3.42Å; K314-S338 PolarHBondContact NZ-OG 2.82Å; K314-E339 IonicContact NZ-OE1 3.02Å; K314-E339 PolarHBondContact NZ-OE1 3Å
315I88.3Confident81.8Confident78 Ų7870.4 Ų70.440%0.434%0.34SS..Hα-helixtrans-56.8-42.3179.2-68.1166.7000110A311 D312 E318 Q319A311-I315 WeakPolarHBondContact O-CG1 3.16Å; A311-I315 PolarHBondContact O-N 2.99Å; D312-I315 PolarHBondContact O-N 2.77Å; I315-E318 PolarHBondContact O-N 3.22Å; I315-Q319 HydrophobicContact CG2-CG 4.18Å; I315-Q319 WeakPolarHBondContact O-CB 3.38Å; I315-Q319 VanDerWaalsContact O-CG 3.3Å; I315-Q319 WeakPolarHBondContact O-CG 3.35Å; I315-Q319 PolarHBondContact O-N 3.26Å
316F85.1Confident81Confident2 Ų272.6 Ų72.61%0.00935%0.351CS..Hα-helixtrans-60.7-48.9177.2-174.6-78.2000112.1M294 Q298 Q305 L307 D312 M313 K314 E318 Q319 Y320 F323M294-F316 HydrophobicContact CE-CB 3.68Å; M294-F316 HydrophobicContact CE-CD1 3.18Å; M294-F316 HydrophobicContact CE-CE1 4.01Å; M294-F316 HydrophobicContact CE-CG 3.6Å; Q298-F316 HydrophobicContact CG-CZ 4.17Å; Q305-F316 HydrophobicContact CB-CD2 4.17Å; Q305-F316 HydrophobicContact CB-CE2 3.96Å; Q305-F316 HydrophobicContact CG-CD2 4.32Å; Q305-F316 HydrophobicContact CG-CE2 3.92Å; L307-F316 HydrophobicContact CD1-CB 4.31Å; L307-F316 HydrophobicContact CD1-CD2 4.24Å; L307-F316 HydrophobicContact CD1-CG 4.14Å; L307-F316 HydrophobicContact CD2-CB 4.05Å; L307-F316 HydrophobicContact CD2-CD2 4.01Å; L307-F316 HydrophobicContact CD2-CG 4.3Å; D312-F316 VanDerWaalsContact O-CB 3.29Å; D312-F316 WeakPolarHBondContact O-CB 3.46Å; D312-F316 PolarHBondContact O-N 2.65Å; M313-F316 PolarHBondContact O-N 3.4Å; K314-F316 PolarHBondContact O-N 2.82Å; F316-E318 VanDerWaalsContact C-N 3.26Å; F316-E318 PolarHBondContact O-N 2.82Å; F316-Q319 PolarHBondContact O-N 2.74Å; F316-Y320 HydrophobicContact CD1-CD2 4.16Å; F316-Y320 HydrophobicContact CD2-CD2 4.02Å; F316-Y320 AromaticContact CD2-CE2 3.97Å; F316-Y320 HydrophobicContact CD2-CE2 3.97Å; F316-Y320 HydrophobicContact CE1-CD2 4.05Å; F316-Y320 AromaticContact CE2-CD2 3.92Å; F316-Y320 HydrophobicContact CE2-CD2 3.92Å; F316-Y320 AromaticContact CE2-CE2 3.79Å; F316-Y320 HydrophobicContact CE2-CE2 3.79Å; F316-Y320 HydrophobicContact CG-CD2 4.14Å; F316-Y320 AromaticContact CZ-CD2 3.94Å; F316-Y320 HydrophobicContact CZ-CD2 3.94Å; F316-Y320 HydrophobicContact CZ-CE2 4.2Å; F316-Y320 VanDerWaalsContact O-CD2 3.29Å; F316-Y320 WeakPolarHBondContact O-CD2 3.41Å; F316-Y320 PolarHBondContact O-N 2.73Å; F316-Y320 VanDerWaalsContact O-N 3.12Å; F316-F323 HydrophobicContact CD1-CD2 4.3Å; F316-F323 HydrophobicContact CD1-CE2 4.16Å; F316-F323 AromaticContact CE1-CD2 3.5Å; F316-F323 HydrophobicContact CE1-CD2 3.5Å; F316-F323 AromaticContact CE1-CE2 3.43Å; F316-F323 HydrophobicContact CE1-CE2 3.43Å; F316-F323 VanDerWaalsContact CE1-CE2 3.43Å; F316-F323 HydrophobicContact CE1-CG 4.24Å; F316-F323 HydrophobicContact CE1-CZ 4.2Å; F316-F323 HydrophobicContact CZ-CD2 4.42Å; F316-F323 HydrophobicContact CZ-CE2 4.34Å
317V84.4Confident80.6Confident8 Ų865.8 Ų65.85%0.04833%0.325CS..Hα-helixtrans-60.7-37.7178.7170.30000111.7M294 M313 K314 F323 A331 V334M294-V317 HydrophobicContact CE-CG2 3.9Å; M313-V317 WeakPolarHBondContact O-CG2 3.31Å; M313-V317 PolarHBondContact O-N 2.8Å; K314-V317 PolarHBondContact O-N 3.02Å; K314-V317 VanDerWaalsContact O-N 3.13Å; V317-F323 HydrophobicContact CG2-CD1 4.13Å; V317-F323 HydrophobicContact CG2-CE1 4Å; V317-A331 HydrophobicContact CG1-CB 3.64Å; V317-V334 HydrophobicContact CG2-CB 4.2Å; V317-V334 HydrophobicContact CG2-CG1 3.97Å; V317-V334 HydrophobicContact CG2-CG2 4.3Å
318E84.2Confident80.4Confident104 Ų10467.3 Ų67.349%0.48634%0.343SS..Hα-helixtrans-71.1-40.7179.1-70.7173.3179.700112.8K314 I315 F316 Y320K314-E318 VanDerWaalsContact CE-OE1 3.3Å; K314-E318 WeakPolarHBondContact CE-OE1 3.43Å; K314-E318 WeakPolarHBondContact O-CG 3.35Å; K314-E318 PolarHBondContact O-N 3.42Å; I315-E318 PolarHBondContact O-N 3.22Å; F316-E318 VanDerWaalsContact C-N 3.26Å; F316-E318 PolarHBondContact O-N 2.82Å; E318-Y320 VanDerWaalsContact C-N 3.31Å; E318-Y320 PolarHBondContact O-N 3.39Å
319Q83.8Confident80.3Confident123 Ų12363.2 Ų63.258%0.57533%0.331SS*.Hα-helixtrans-73.7-20.7179.9-73.9-179.4-4.200113.7I315 F316 P321I315-Q319 HydrophobicContact CG2-CG 4.18Å; I315-Q319 WeakPolarHBondContact O-CB 3.38Å; I315-Q319 VanDerWaalsContact O-CG 3.3Å; I315-Q319 WeakPolarHBondContact O-CG 3.35Å; I315-Q319 PolarHBondContact O-N 3.26Å; F316-Q319 PolarHBondContact O-N 2.74Å; Q319-P321 VanDerWaalsContact C-CD 3.45Å; Q319-P321 VanDerWaalsContact O-CD 3.25Å; Q319-P321 WeakPolarHBondContact O-CD 3.15Å
320Y79.6Confident80.2Confident67 Ų6761.2 Ų61.226%0.26332%0.317SS..  trans-11776.7-179.7-67.3-81.4000111.9Q305 F316 E318 Q322 F323Q305-Y320 PolarHBondContact NE2-OH 3.32Å; F316-Y320 HydrophobicContact CD1-CD2 4.16Å; F316-Y320 HydrophobicContact CD2-CD2 4.02Å; F316-Y320 AromaticContact CD2-CE2 3.97Å; F316-Y320 HydrophobicContact CD2-CE2 3.97Å; F316-Y320 HydrophobicContact CE1-CD2 4.05Å; F316-Y320 AromaticContact CE2-CD2 3.92Å; F316-Y320 HydrophobicContact CE2-CD2 3.92Å; F316-Y320 AromaticContact CE2-CE2 3.79Å; F316-Y320 HydrophobicContact CE2-CE2 3.79Å; F316-Y320 HydrophobicContact CG-CD2 4.14Å; F316-Y320 AromaticContact CZ-CD2 3.94Å; F316-Y320 HydrophobicContact CZ-CD2 3.94Å; F316-Y320 HydrophobicContact CZ-CE2 4.2Å; F316-Y320 VanDerWaalsContact O-CD2 3.29Å; F316-Y320 WeakPolarHBondContact O-CD2 3.41Å; F316-Y320 PolarHBondContact O-N 2.73Å; F316-Y320 VanDerWaalsContact O-N 3.12Å; E318-Y320 VanDerWaalsContact C-N 3.31Å; E318-Y320 PolarHBondContact O-N 3.39Å; Y320-Q322 PolarHBondContact O-N 2.86Å; Y320-F323 WeakPolarHBondContact O-CA 3.12Å; Y320-F323 WeakPolarHBondContact O-CB 3.41Å; Y320-F323 PolarHBondContact O-N 2.73Å
321P73.5Confident80.2Confident80 Ų8059.8 Ų59.852%0.51931%0.309SS..Hα-helixtrans-56.4-29.3178.9-26.233.2000114.6Q319 F323 K324 R325Q319-P321 VanDerWaalsContact C-CD 3.45Å; Q319-P321 VanDerWaalsContact O-CD 3.25Å; Q319-P321 WeakPolarHBondContact O-CD 3.15Å; P321-F323 PolarHBondContact O-N 3.29Å; P321-K324 WeakPolarHBondContact O-CB 3.41Å; P321-K324 PolarHBondContact O-N 2.87Å; P321-R325 PolarHBondContact O-N 2.72Å; P321-R325 VanDerWaalsContact O-N 3.1Å
322Q71.9Confident80.4Confident125 Ų12558.7 Ų58.758%0.58429%0.294SS*.Hα-helixtrans-59.3-34172.263.7-166.61600112.3Y320 R325 M326Y320-Q322 PolarHBondContact O-N 2.86Å; Q322-R325 PolarHBondContact O-N 3.24Å; Q322-M326 WeakPolarHBondContact O-CB 3.35Å; Q322-M326 VanDerWaalsContact O-CG 3.23Å; Q322-M326 WeakPolarHBondContact O-CG 3.27Å; Q322-M326 PolarHBondContact O-N 3.02Å
323F69.7Low80.6Confident7 Ų756 Ų563%0.03128%0.28CS..Hα-helixtrans-62.4-46.2173.8-164.5-84.7000111.2M294 F297 F316 V317 Y320 P321 R325 M326 S327 V330M294-F323 HydrophobicContact CE-CZ 4.15Å; M294-F323 HydrophobicContact CG-CZ 4.31Å; F297-F323 HydrophobicContact CB-CE2 4.35Å; F297-F323 HydrophobicContact CB-CZ 4.1Å; F297-F323 AromaticContact CD1-CD2 3.46Å; F297-F323 HydrophobicContact CD1-CD2 3.46Å; F297-F323 VanDerWaalsContact CD1-CD2 3.46Å; F297-F323 HydrophobicContact CD1-CE1 4.18Å; F297-F323 AromaticContact CD1-CE2 2.92Å; F297-F323 HydrophobicContact CD1-CE2 2.92Å; F297-F323 HydrophobicContact CD1-CG 4.31Å; F297-F323 AromaticContact CD1-CZ 3.33Å; F297-F323 HydrophobicContact CD1-CZ 3.33Å; F297-F323 HydrophobicContact CE1-CD1 4.38Å; F297-F323 AromaticContact CE1-CD2 3.22Å; F297-F323 HydrophobicContact CE1-CD2 3.22Å; F297-F323 HydrophobicContact CE1-CE1 4.36Å; F297-F323 AromaticContact CE1-CE2 3.27Å; F297-F323 HydrophobicContact CE1-CE2 3.27Å; F297-F323 AromaticContact CE1-CG 3.84Å; F297-F323 HydrophobicContact CE1-CG 3.84Å; F297-F323 AromaticContact CE1-CZ 3.85Å; F297-F323 HydrophobicContact CE1-CZ 3.85Å; F297-F323 AromaticContact CG-CE2 3.86Å; F297-F323 HydrophobicContact CG-CE2 3.86Å; F297-F323 AromaticContact CG-CZ 3.79Å; F297-F323 HydrophobicContact CG-CZ 3.79Å; F297-F323 HydrophobicContact CZ-CD2 4.25Å; F297-F323 HydrophobicContact CZ-CE2 4.41Å; F316-F323 HydrophobicContact CD1-CD2 4.3Å; F316-F323 HydrophobicContact CD1-CE2 4.16Å; F316-F323 AromaticContact CE1-CD2 3.5Å; F316-F323 HydrophobicContact CE1-CD2 3.5Å; F316-F323 AromaticContact CE1-CE2 3.43Å; F316-F323 HydrophobicContact CE1-CE2 3.43Å; F316-F323 VanDerWaalsContact CE1-CE2 3.43Å; F316-F323 HydrophobicContact CE1-CG 4.24Å; F316-F323 HydrophobicContact CE1-CZ 4.2Å; F316-F323 HydrophobicContact CZ-CD2 4.42Å; F316-F323 HydrophobicContact CZ-CE2 4.34Å; V317-F323 HydrophobicContact CG2-CD1 4.13Å; V317-F323 HydrophobicContact CG2-CE1 4Å; Y320-F323 WeakPolarHBondContact O-CA 3.12Å; Y320-F323 WeakPolarHBondContact O-CB 3.41Å; Y320-F323 PolarHBondContact O-N 2.73Å; P321-F323 PolarHBondContact O-N 3.29Å; F323-R325 VanDerWaalsContact C-N 3.29Å; F323-R325 PolarHBondContact O-N 2.86Å; F323-M326 PolarHBondContact O-N 2.58Å; F323-M326 VanDerWaalsContact O-N 3.14Å; F323-S327 PolarHBondContact O-N 2.87Å; F323-V330 HydrophobicContact CE1-CB 4.01Å; F323-V330 HydrophobicContact CE1-CG1 3.56Å; F323-V330 HydrophobicContact CZ-CG1 4.02Å
324K69.8Low80.8Confident61 Ų6155.7 Ų55.727%0.26528%0.278SS..Hα-helixtrans-60.2-37.5175.5-167.1176.1-165176.20112.3D261 P321 S327 G328 A331D261-K324 IonicContact OD1-NZ 3.77Å; D261-K324 PolarHBondContact OD1-NZ 3.16Å; D261-K324 WeakPolarHBondContact OD2-CE 3.07Å; D261-K324 IonicContact OD2-NZ 2.72Å; D261-K324 PolarHBondContact OD2-NZ 2.95Å; P321-K324 WeakPolarHBondContact O-CB 3.41Å; P321-K324 PolarHBondContact O-N 2.87Å; K324-S327 CarbonylContact O-C 3.52Å; K324-G328 PolarHBondContact O-N 3.28Å; K324-A331 HydrophobicContact CB-CB 4.35Å; K324-A331 HydrophobicContact CG-CB 3.84Å
325R65.5Low81Confident226 Ų22655.3 Ų55.385%0.85328%0.278SS*.Hα-helixtrans-69.9-35.4175.5-69.9-178-177.51691.3112.9P321 Q322 F323P321-R325 PolarHBondContact O-N 2.72Å; P321-R325 VanDerWaalsContact O-N 3.1Å; Q322-R325 PolarHBondContact O-N 3.24Å; F323-R325 VanDerWaalsContact C-N 3.29Å; F323-R325 PolarHBondContact O-N 2.86Å
326M64.8Low81.3Confident118 Ų11851.6 Ų51.658%0.58126%0.259SS*.Hα-helixtrans-78.3-31-179-72.4172.970.600112.7F297 Q322 F323F297-M326 HydrophobicContact CE1-CE 4.25Å; F297-M326 HydrophobicContact CE1-SD 4.48Å; F297-M326 HydrophobicContact CE2-CB 4.15Å; F297-M326 HydrophobicContact CZ-CB 3.5Å; F297-M326 HydrophobicContact CZ-CE 3.75Å; F297-M326 HydrophobicContact CZ-CG 4.42Å; F297-M326 HydrophobicContact CZ-SD 4.12Å; Q322-M326 WeakPolarHBondContact O-CB 3.35Å; Q322-M326 VanDerWaalsContact O-CG 3.23Å; Q322-M326 WeakPolarHBondContact O-CG 3.27Å; Q322-M326 PolarHBondContact O-N 3.02Å; F323-M326 PolarHBondContact O-N 2.58Å; F323-M326 VanDerWaalsContact O-N 3.14Å
327S74.8Confident81.7Confident28 Ų2851.5 Ų51.520%0.19626%0.259CS..  trans-148.497.8171.8-173.70000112.3F323 K324 A329 V330 A331F323-S327 PolarHBondContact O-N 2.87Å; K324-S327 CarbonylContact O-C 3.52Å; S327-A329 PolarHBondContact O-N 3.16Å; S327-V330 PolarHBondContact O-N 3.1Å; S327-V330 WeakPolarHBondContact OG-CG2 3.23Å; S327-V330 PolarHBondContact OG-N 3.25Å; S327-A331 PolarHBondContact O-N 2.81Å
328G80.6Confident82.1Confident43 Ų4351.8 Ų51.844%0.44326%0.261SS..Hα-helixtrans-62.1-28.2172.100000112.9K324 K332K324-G328 PolarHBondContact O-N 3.28Å; G328-K332 VanDerWaalsContact O-CB 3.24Å; G328-K332 WeakPolarHBondContact O-CB 3.44Å; G328-K332 PolarHBondContact O-N 3.09Å
329A82.9Confident82.6Confident39 Ų3946.8 Ų46.832%0.32224%0.238SC..Hα-helixtrans-66.6-49.2177.800000112S327 A331 K332 H333S327-A329 PolarHBondContact O-N 3.16Å; A329-A331 VanDerWaalsContact C-N 3.35Å; A329-A331 PolarHBondContact O-N 3.37Å; A329-K332 WeakPolarHBondContact O-CB 3.42Å; A329-K332 PolarHBondContact O-N 3.08Å; A329-H333 PolarHBondContact O-CD2 2.97Å; A329-H333 PolarHBondContact O-N 3.4Å
330V85.3Confident83.2Confident4 Ų441 Ų412%0.02421%0.21CC..Hα-helixtrans-59.7-49.2179.8-176.50000109.7M293 F297 F323 S327 K332 H333 V334M293-V330 HydrophobicContact CG-CG2 3.92Å; M293-V330 HydrophobicContact SD-CB 3.84Å; M293-V330 HydrophobicContact SD-CG1 3.95Å; M293-V330 HydrophobicContact SD-CG2 3.32Å; M293-V330 WeakPolarHBondContact SD-CG2 3.47Å; F297-V330 HydrophobicContact CD2-CG2 4.29Å; F323-V330 HydrophobicContact CE1-CB 4.01Å; F323-V330 HydrophobicContact CE1-CG1 3.56Å; F323-V330 HydrophobicContact CZ-CG1 4.02Å; S327-V330 PolarHBondContact O-N 3.1Å; S327-V330 WeakPolarHBondContact OG-CG2 3.23Å; S327-V330 PolarHBondContact OG-N 3.25Å; V330-K332 VanDerWaalsContact C-N 3.33Å; V330-K332 PolarHBondContact O-N 2.84Å; V330-H333 PolarHBondContact O-N 2.88Å; V330-V334 HydrophobicContact CG1-CG2 4.09Å; V330-V334 WeakPolarHBondContact O-CB 3.5Å; V330-V334 VanDerWaalsContact O-CG2 3.28Å; V330-V334 WeakPolarHBondContact O-CG2 3.45Å; V330-V334 PolarHBondContact O-N 3.33Å
331A88Confident83.9Confident0 Ų039.5 Ų39.50%021%0.21CC..Hα-helixtrans-58.3-45.2179.300000111.9M262 V317 K324 S327 A329 H333 T335M262-A331 HydrophobicContact CE-CB 4.16Å; V317-A331 HydrophobicContact CG1-CB 3.64Å; K324-A331 HydrophobicContact CB-CB 4.35Å; K324-A331 HydrophobicContact CG-CB 3.84Å; S327-A331 PolarHBondContact O-N 2.81Å; A329-A331 VanDerWaalsContact C-N 3.35Å; A329-A331 PolarHBondContact O-N 3.37Å; A331-H333 PolarHBondContact O-N 2.93Å; A331-T335 WeakPolarHBondContact O-CB 3.47Å; A331-T335 PolarHBondContact O-N 3.4Å; A331-T335 PolarHBondContact O-OG1 3.44Å
332K91.1Very high84.9Confident32 Ų3239 Ų3914%0.13920%0.198CC..Hα-helixtrans-57-50.6177.3179.1-179.267.4176.70112.2M262 I265 I266 L267 D272 G328 A329 V330 T335 L336M262-K332 HydrophobicContact CE-CB 4.2Å; M262-K332 HydrophobicContact SD-CB 4.38Å; I265-K332 HydrophobicContact CB-CD 4.13Å; I265-K332 HydrophobicContact CB-CG 4.25Å; I265-K332 HydrophobicContact CD1-CD 4.36Å; I265-K332 HydrophobicContact CD1-CG 3.93Å; I265-K332 HydrophobicContact CG2-CG 4.23Å; I266-K332 PolarHBondContact O-NZ 3.39Å; L267-K332 HydrophobicContact CD2-CD 4.46Å; D272-K332 VanDerWaalsContact OD2-CE 3.32Å; D272-K332 WeakPolarHBondContact OD2-CE 3.34Å; D272-K332 IonicContact OD2-NZ 2.89Å; D272-K332 PolarHBondContact OD2-NZ 2.9Å; G328-K332 VanDerWaalsContact O-CB 3.24Å; G328-K332 WeakPolarHBondContact O-CB 3.44Å; G328-K332 PolarHBondContact O-N 3.09Å; A329-K332 WeakPolarHBondContact O-CB 3.42Å; A329-K332 PolarHBondContact O-N 3.08Å; V330-K332 VanDerWaalsContact C-N 3.33Å; V330-K332 PolarHBondContact O-N 2.84Å; K332-T335 PolarHBondContact O-N 2.96Å; K332-L336 WeakPolarHBondContact O-CB 3.24Å; K332-L336 PolarHBondContact O-N 2.81Å
333H93.8Very high86Confident0 Ų033.6 Ų33.60%017%0.173CC..Hα-helixtrans-72.4-37.3-176.4-67.2-65000112.8Y235 D272 F274 I290 A329 V330 A331 L336 I337Y235-H333 AromaticContact CE1-ND1 3.86Å; Y235-H333 AromaticContact CZ-ND1 3.77Å; Y235-H333 PolarHBondContact OH-ND1 2.91Å; D272-H333 IonicContact OD1-NE2 3.33Å; D272-H333 PolarHBondContact OD1-NE2 2.79Å; D272-H333 IonicContact OD2-CE1 3.65Å; D272-H333 PolarHBondContact OD2-CE1 2.88Å; D272-H333 IonicContact OD2-NE2 3.21Å; D272-H333 PolarHBondContact OD2-NE2 3.15Å; F274-H333 HydrophobicContact CD1-CB 4.27Å; F274-H333 AromaticContact CD1-CD2 3.36Å; F274-H333 WeakPolarHBondContact CD1-CD2 3.34Å; F274-H333 AromaticContact CD1-CE1 3.9Å; F274-H333 AromaticContact CD1-CG 3.57Å; F274-H333 AromaticContact CD1-ND1 3.89Å; F274-H333 AromaticContact CD1-NE2 3.62Å; F274-H333 HydrophobicContact CE1-CB 3.97Å; F274-H333 AromaticContact CE1-CD2 3.96Å; F274-H333 AromaticContact CE1-CG 3.72Å; I290-H333 HydrophobicContact CD1-CB 4.01Å; I290-H333 HydrophobicContact CG1-CB 4.29Å; A329-H333 PolarHBondContact O-CD2 2.97Å; A329-H333 PolarHBondContact O-N 3.4Å; V330-H333 PolarHBondContact O-N 2.88Å; A331-H333 PolarHBondContact O-N 2.93Å; H333-L336 PolarHBondContact O-N 2.73Å; H333-I337 WeakPolarHBondContact O-CG2 3.36Å; H333-I337 PolarHBondContact O-N 3.03Å
334V91.9Very high87.2Confident0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-61.4-45.7172.9171.20000111.1I290 M294 M313 K314 V317 V330 L336 I337 S338I290-V334 HydrophobicContact CG2-CG2 3.55Å; M294-V334 HydrophobicContact SD-CG2 4.36Å; M313-V334 HydrophobicContact CB-CG1 3.97Å; K314-V334 HydrophobicContact CB-CG1 4.46Å; V317-V334 HydrophobicContact CG2-CB 4.2Å; V317-V334 HydrophobicContact CG2-CG1 3.97Å; V317-V334 HydrophobicContact CG2-CG2 4.3Å; V330-V334 HydrophobicContact CG1-CG2 4.09Å; V330-V334 WeakPolarHBondContact O-CB 3.5Å; V330-V334 VanDerWaalsContact O-CG2 3.28Å; V330-V334 WeakPolarHBondContact O-CG2 3.45Å; V330-V334 PolarHBondContact O-N 3.33Å; V334-L336 PolarHBondContact O-N 3Å; V334-I337 WeakPolarHBondContact O-CG2 3.19Å; V334-S338 VanDerWaalsContact O-CB 3.26Å; V334-S338 WeakPolarHBondContact O-CB 3.42Å; V334-S338 PolarHBondContact O-N 3.23Å
335T92.1Very high88.4Confident16 Ų1634.7 Ų34.710%0.09819%0.186CC..Hα-helixtrans-61.3-45.8176.2-62.60000111M252 V258 A331 K332 S338 E339M252-T335 HydrophobicContact CE-CG2 4.29Å; V258-T335 HydrophobicContact CG2-CG2 3.98Å; A331-T335 WeakPolarHBondContact O-CB 3.47Å; A331-T335 PolarHBondContact O-N 3.4Å; A331-T335 PolarHBondContact O-OG1 3.44Å; K332-T335 PolarHBondContact O-N 2.96Å; T335-S338 PolarHBondContact O-N 2.76Å; T335-E339 PolarHBondContact O-N 3.49Å; T335-E339 VanDerWaalsContact O-N 3.07Å
336L94.1Very high89.9Confident0 Ų027.2 Ų27.20%016%0.163CC..Hα-helixtrans-64-48.8-178.4-16962.1000111.8Y235 V239 F243 M252 I265 L267 K332 H333 V334 S338 E339 L340Y235-L336 HydrophobicContact CE2-CD2 3.93Å; Y235-L336 HydrophobicContact CE2-CG 4.34Å; Y235-L336 WeakPolarHBondContact OH-CD2 3.41Å; V239-L336 HydrophobicContact CG1-CD1 4.39Å; V239-L336 HydrophobicContact CG1-CD2 4.17Å; V239-L336 HydrophobicContact CG2-CD1 4.27Å; V239-L336 HydrophobicContact CG2-CD2 3.49Å; V239-L336 VanDerWaalsContact CG2-CD2 3.49Å; V239-L336 HydrophobicContact CG2-CG 3.95Å; F243-L336 HydrophobicContact CD2-CD1 4.09Å; F243-L336 HydrophobicContact CE2-CD1 4.2Å; M252-L336 HydrophobicContact CG-CD1 4.47Å; M252-L336 HydrophobicContact SD-CD1 3.44Å; M252-L336 WeakPolarHBondContact SD-CD1 3.38Å; I265-L336 HydrophobicContact CD1-CD1 4.13Å; I265-L336 HydrophobicContact CD1-CD2 4.02Å; I265-L336 HydrophobicContact CD1-CG 4.47Å; L267-L336 HydrophobicContact CD1-CD2 3.76Å; L267-L336 HydrophobicContact CD2-CD2 4.38Å; K332-L336 WeakPolarHBondContact O-CB 3.24Å; K332-L336 PolarHBondContact O-N 2.81Å; H333-L336 PolarHBondContact O-N 2.73Å; V334-L336 PolarHBondContact O-N 3Å; L336-S338 VanDerWaalsContact C-N 3.29Å; L336-S338 PolarHBondContact O-N 3.4Å; L336-E339 PolarHBondContact O-N 3.08Å; L336-L340 HydrophobicContact CG-CD1 4.42Å; L336-L340 VanDerWaalsContact O-CG 3.29Å; L336-L340 WeakPolarHBondContact O-CG 3.19Å; L336-L340 PolarHBondContact O-N 2.96Å
337I93.7Very high91.4Very high0 Ų026.3 Ų26.30%015%0.154CC..Hα-helixtrans-65.1-34.4180-16466000112.2F283 I286 I290 I310 H333 V334 L340 S341F283-I337 HydrophobicContact CD2-CD1 3.79Å; F283-I337 HydrophobicContact CE2-CD1 3.46Å; F283-I337 VanDerWaalsContact CE2-CD1 3.46Å; F283-I337 HydrophobicContact CE2-CG1 4.35Å; F283-I337 HydrophobicContact CZ-CD1 4.46Å; I286-I337 HydrophobicContact CG2-CD1 3.61Å; I290-I337 HydrophobicContact CD1-CB 3.64Å; I290-I337 HydrophobicContact CD1-CG1 4.14Å; I290-I337 HydrophobicContact CD1-CG2 3.57Å; I290-I337 HydrophobicContact CG2-CG2 4.43Å; I310-I337 HydrophobicContact CD1-CG1 4.1Å; I310-I337 HydrophobicContact CG2-CG2 3.94Å; H333-I337 WeakPolarHBondContact O-CG2 3.36Å; H333-I337 PolarHBondContact O-N 3.03Å; V334-I337 WeakPolarHBondContact O-CG2 3.19Å; I337-L340 HydrophobicContact CD1-CD1 4.21Å; I337-L340 PolarHBondContact O-N 2.89Å; I337-S341 WeakPolarHBondContact O-CB 3.28Å; I337-S341 PolarHBondContact O-N 2.95Å
338S93.3Very high92.4Very high14 Ų1426.4 Ų26.410%0.09815%0.152CC..Hα-helixtrans-61.9-45.6174.31760000112I310 K314 V334 T335 L336 S341 R342I310-S338 VanDerWaalsContact CG2-CA 3.47Å; K314-S338 VanDerWaalsContact CD-OG 3.28Å; K314-S338 WeakPolarHBondContact CD-OG 3.42Å; K314-S338 PolarHBondContact NZ-OG 2.82Å; V334-S338 VanDerWaalsContact O-CB 3.26Å; V334-S338 WeakPolarHBondContact O-CB 3.42Å; V334-S338 PolarHBondContact O-N 3.23Å; T335-S338 PolarHBondContact O-N 2.76Å; L336-S338 VanDerWaalsContact C-N 3.29Å; L336-S338 PolarHBondContact O-N 3.4Å; S338-S341 PolarHBondContact O-N 3.42Å; S338-R342 PolarHBondContact O-N 3.46Å
339E94.9Very high93.2Very high0 Ų024.5 Ų24.50%013%0.132CC..Hα-helixtrans-71-35.3178.6-71-58.3123.600112.7F243 A255 S257 V258 K314 T335 L336 R342 L343F243-E339 HydrophobicContact CE2-CB 4.21Å; F243-E339 HydrophobicContact CZ-CB 3.74Å; A255-E339 HydrophobicContact CB-CG 4.01Å; A255-E339 WeakPolarHBondContact CB-OE2 3.4Å; S257-E339 PolarHBondContact OG-OE1 2.81Å; V258-E339 HydrophobicContact CG2-CG 4.05Å; K314-E339 IonicContact NZ-OE1 3.02Å; K314-E339 PolarHBondContact NZ-OE1 3Å; T335-E339 PolarHBondContact O-N 3.49Å; T335-E339 VanDerWaalsContact O-N 3.07Å; L336-E339 PolarHBondContact O-N 3.08Å; E339-R342 PolarHBondContact O-N 2.87Å; E339-R342 IonicContact OE1-NE 2.65Å; E339-R342 IonicContact OE2-CZ 3.32Å; E339-R342 VanDerWaalsContact OE2-CZ 3.31Å; E339-R342 IonicContact OE2-NE 3.84Å; E339-R342 PolarHBondContact OE2-NE 3.08Å; E339-R342 IonicContact OE2-NH2 2.61Å; E339-R342 PolarHBondContact OE2-NH2 3.36Å; E339-L343 WeakPolarHBondContact O-CG 3.47Å; E339-L343 PolarHBondContact O-N 2.85Å
340L95.2Very high93.8Very high0 Ų026.5 Ų26.50%014%0.137CC..Hα-helixtrans-60.2-46.2171.2-66.1173.1000111.4Y235 M238 V239 L242 F243 F283 L336 I337 R342 L343 A344Y235-L340 HydrophobicContact CD2-CD1 4.12Å; Y235-L340 HydrophobicContact CE2-CD1 4.02Å; M238-L340 HydrophobicContact CE-CB 4.17Å; M238-L340 HydrophobicContact CG-CD2 4.16Å; M238-L340 HydrophobicContact SD-CB 4.23Å; M238-L340 HydrophobicContact SD-CD1 4.29Å; M238-L340 HydrophobicContact SD-CD2 4.47Å; V239-L340 HydrophobicContact CG2-CD1 3.78Å; V239-L340 HydrophobicContact CG2-CD2 4.26Å; L242-L340 HydrophobicContact CB-CD2 4.19Å; L242-L340 HydrophobicContact CD1-CD2 3.79Å; L242-L340 HydrophobicContact CG-CD2 4.45Å; F243-L340 HydrophobicContact CD2-CD2 3.96Å; F243-L340 HydrophobicContact CE2-CD2 3.75Å; F243-L340 HydrophobicContact CE2-CG 4.33Å; F283-L340 HydrophobicContact CE2-CB 4.12Å; L336-L340 HydrophobicContact CG-CD1 4.42Å; L336-L340 VanDerWaalsContact O-CG 3.29Å; L336-L340 WeakPolarHBondContact O-CG 3.19Å; L336-L340 PolarHBondContact O-N 2.96Å; I337-L340 HydrophobicContact CD1-CD1 4.21Å; I337-L340 PolarHBondContact O-N 2.89Å; L340-R342 VanDerWaalsContact C-N 3.32Å; L340-R342 PolarHBondContact O-N 3.08Å; L340-L343 PolarHBondContact O-N 3.18Å; L340-A344 WeakPolarHBondContact O-CB 3.3Å; L340-A344 PolarHBondContact O-N 3.35Å
341S94.8Very high94.3Very high37 Ų3728.8 Ų28.826%0.25915%0.147SC..Hα-helixtrans-62.1-39177.4-172.50000112.5I337 S338 T345I337-S341 WeakPolarHBondContact O-CB 3.28Å; I337-S341 PolarHBondContact O-N 2.95Å; S338-S341 PolarHBondContact O-N 3.42Å; S341-T345 PolarHBondContact O-N 3.38Å; S341-T345 PolarHBondContact O-OG1 2.94Å
342R95.1Very high94.8Very high68 Ų6828.8 Ų28.826%0.25715%0.147SC..Hα-helixtrans-63.3-52.4175.5-174.5-171.160.772.51.6110.5S338 E339 L340 A344 T345 D346S338-R342 PolarHBondContact O-N 3.46Å; E339-R342 PolarHBondContact O-N 2.87Å; E339-R342 IonicContact OE1-NE 2.65Å; E339-R342 IonicContact OE2-CZ 3.32Å; E339-R342 VanDerWaalsContact OE2-CZ 3.31Å; E339-R342 IonicContact OE2-NE 3.84Å; E339-R342 PolarHBondContact OE2-NE 3.08Å; E339-R342 IonicContact OE2-NH2 2.61Å; E339-R342 PolarHBondContact OE2-NH2 3.36Å; L340-R342 VanDerWaalsContact C-N 3.32Å; L340-R342 PolarHBondContact O-N 3.08Å; R342-A344 VanDerWaalsContact C-N 3.32Å; R342-A344 PolarHBondContact O-N 3.35Å; R342-T345 WeakPolarHBondContact O-CB 3.28Å; R342-T345 PolarHBondContact O-N 3.37Å; R342-D346 WeakPolarHBondContact CG-OD2 3.39Å; R342-D346 IonicContact CZ-OD2 2.65Å; R342-D346 IonicContact NH1-OD2 3.05Å; R342-D346 PolarHBondContact NH1-OD2 2.95Å; R342-D346 WeakPolarHBondContact O-CB 3.42Å; R342-D346 PolarHBondContact O-N 3.3Å
343L95.3Very high95.1Very high12 Ų1227.3 Ų27.36%0.06314%0.141CC..Hα-helixtrans-61.7-38.8-179.8-69.7176.8000112.6L242 F243 E339 L340 T345 D346 Y347L242-L343 HydrophobicContact CB-CD1 3.95Å; L242-L343 HydrophobicContact CD1-CB 4.01Å; L242-L343 HydrophobicContact CD1-CD1 4.32Å; F243-L343 HydrophobicContact CE1-CD1 3.94Å; F243-L343 HydrophobicContact CE2-CD1 3.89Å; F243-L343 HydrophobicContact CZ-CD1 3.4Å; F243-L343 VanDerWaalsContact CZ-CD1 3.4Å; F243-L343 HydrophobicContact CZ-CG 4.5Å; E339-L343 WeakPolarHBondContact O-CG 3.47Å; E339-L343 PolarHBondContact O-N 2.85Å; L340-L343 PolarHBondContact O-N 3.18Å; L343-T345 PolarHBondContact O-N 2.92Å; L343-D346 PolarHBondContact O-N 3.49Å; L343-Y347 HydrophobicContact CB-CD2 4.43Å; L343-Y347 HydrophobicContact CD2-CD2 4.32Å; L343-Y347 HydrophobicContact CD2-CE2 3.67Å; L343-Y347 WeakPolarHBondContact O-CB 3.48Å; L343-Y347 PolarHBondContact O-N 3.01Å
344A95.3Very high95.2Very high7 Ų731.5 Ų31.56%0.05816%0.16CC..Hα-helixtrans-58.8-37.2174.200000112.6W233 M238 L340 R342 N348 L349W233-A344 HydrophobicContact CH2-CB 4.44Å; M238-A344 HydrophobicContact CE-CB 4.07Å; L340-A344 WeakPolarHBondContact O-CB 3.3Å; L340-A344 PolarHBondContact O-N 3.35Å; R342-A344 VanDerWaalsContact C-N 3.32Å; R342-A344 PolarHBondContact O-N 3.35Å; A344-N348 PolarHBondContact O-N 3.5Å; A344-L349 HydrophobicContact CB-CB 4.44Å; A344-L349 HydrophobicContact CB-CD1 4.43Å; A344-L349 PolarHBondContact O-N 2.95Å
345T95Very high95.4Very high84 Ų8431.8 Ų31.852%0.51516%0.162SC..Hα-helixtrans-78.2-44177.7-54.90000112.1S341 R342 L343 Y347 N348S341-T345 PolarHBondContact O-N 3.38Å; S341-T345 PolarHBondContact O-OG1 2.94Å; R342-T345 WeakPolarHBondContact O-CB 3.28Å; R342-T345 PolarHBondContact O-N 3.37Å; L343-T345 PolarHBondContact O-N 2.92Å; T345-Y347 VanDerWaalsContact C-N 3.31Å; T345-Y347 PolarHBondContact O-N 3.38Å; T345-N348 PolarHBondContact O-N 2.99Å
346D95.5Very high95.7Very high70 Ų7031 Ų3137%0.37416%0.157SC..Hα-helixtrans-66.5-34.3-176.6-73.4-8.1000111.8R342 L343 K380R342-D346 WeakPolarHBondContact CG-OD2 3.39Å; R342-D346 IonicContact CZ-OD2 2.65Å; R342-D346 IonicContact NH1-OD2 3.05Å; R342-D346 PolarHBondContact NH1-OD2 2.95Å; R342-D346 WeakPolarHBondContact O-CB 3.42Å; R342-D346 PolarHBondContact O-N 3.3Å; L343-D346 PolarHBondContact O-N 3.49Å; D346-K380 WeakPolarHBondContact O-CB 3.42Å
347Y96Very high95.8Very high99 Ų9931.4 Ų31.439%0.38816%0.159SC..THydrogen-bonded Turntrans-99.57.6179.6-60-39.6000114.9L343 T345 L349 K380L343-Y347 HydrophobicContact CB-CD2 4.43Å; L343-Y347 HydrophobicContact CD2-CD2 4.32Å; L343-Y347 HydrophobicContact CD2-CE2 3.67Å; L343-Y347 WeakPolarHBondContact O-CB 3.48Å; L343-Y347 PolarHBondContact O-N 3.01Å; T345-Y347 VanDerWaalsContact C-N 3.31Å; T345-Y347 PolarHBondContact O-N 3.38Å; Y347-L349 PolarHBondContact O-N 3.01Å; Y347-K380 CarbonylContact C-O 3.36Å; Y347-K380 VanDerWaalsContact CA-O 3.26Å; Y347-K380 WeakPolarHBondContact CA-O 3.35Å
348N97.2Very high95.9Very high30 Ų3033 Ų3316%0.1617%0.166CC..THydrogen-bonded Turntrans53.140.2-177.9-169.731.6000112.7A344 T345 L350 E351 V352 K380A344-N348 PolarHBondContact O-N 3.5Å; T345-N348 PolarHBondContact O-N 2.99Å; N348-L350 VanDerWaalsContact C-N 3.28Å; N348-L350 PolarHBondContact O-N 3.41Å; N348-E351 PolarHBondContact ND2-OE2 3.18Å; N348-E351 PolarHBondContact O-N 3.19Å; N348-E351 WeakPolarHBondContact OD1-CB 3.24Å; N348-V352 WeakPolarHBondContact O-CG2 3.34Å; N348-V352 PolarHBondContact O-N 3.11Å; N348-V352 VanDerWaalsContact O-N 3.15Å; N348-K380 HydrophobicContact CB-CB 3.87Å
349L96.9Very high96Very high3 Ų332.4 Ų32.42%0.01616%0.162CC..Hα-helixtrans-67.9-26.7-168.5-62.9-173.3000113.1W233 L242 A344 Y347 S353W233-L349 HydrophobicContact CH2-CB 4.39Å; W233-L349 HydrophobicContact CZ2-CB 4.22Å; L242-L349 HydrophobicContact CD1-CD1 4.16Å; L242-L349 HydrophobicContact CD2-CD1 3.7Å; A344-L349 HydrophobicContact CB-CB 4.44Å; A344-L349 HydrophobicContact CB-CD1 4.43Å; A344-L349 PolarHBondContact O-N 2.95Å; Y347-L349 PolarHBondContact O-N 3.01Å; L349-S353 WeakPolarHBondContact O-CB 3.11Å; L349-S353 PolarHBondContact O-N 3.4Å; L349-S353 PolarHBondContact O-OG 3.1Å
350L95.1Very high95.9Very high81 Ų8133 Ų3342%0.42417%0.167SC..Hα-helixtrans-62.2-49177.5-68.5169.5000111.2W233 N348 S353 E354 Y465W233-L350 HydrophobicContact CH2-CD2 3.29Å; W233-L350 HydrophobicContact CH2-CG 3.92Å; W233-L350 HydrophobicContact CZ2-CD2 3.91Å; W233-L350 HydrophobicContact CZ3-CD2 3.8Å; N348-L350 VanDerWaalsContact C-N 3.28Å; N348-L350 PolarHBondContact O-N 3.41Å; L350-S353 PolarHBondContact O-N 2.93Å; L350-E354 PolarHBondContact O-N 3.29Å; L350-Y465 HydrophobicContact CB-CE1 4.32Å; L350-Y465 HydrophobicContact CD2-CD2 4.4Å; L350-Y465 HydrophobicContact CD2-CE1 4.07Å; L350-Y465 HydrophobicContact CD2-CE2 3.8Å; L350-Y465 WeakPolarHBondContact O-CE1 3.28Å
351E96.7Very high95.8Very high52 Ų5234 Ų3424%0.24317%0.174CC..Hα-helixtrans-73.3-37.4-178.7-164.8179.2-152.600112.1N348 S353 E354 L355 R374 L375N348-E351 PolarHBondContact ND2-OE2 3.18Å; N348-E351 PolarHBondContact O-N 3.19Å; N348-E351 WeakPolarHBondContact OD1-CB 3.24Å; E351-S353 VanDerWaalsContact C-N 3.34Å; E351-E354 PolarHBondContact O-N 3.36Å; E351-L355 PolarHBondContact O-N 2.79Å; E351-R374 VanDerWaalsContact CD-NH2 3.33Å; E351-R374 IonicContact OE1-CZ 3.62Å; E351-R374 IonicContact OE1-NH1 3.22Å; E351-R374 PolarHBondContact OE1-NH1 3.35Å; E351-R374 IonicContact OE1-NH2 3.79Å; E351-R374 PolarHBondContact OE1-NH2 3.17Å; E351-R374 IonicContact OE2-NH1 3.43Å; E351-R374 PolarHBondContact OE2-NH1 3.46Å; E351-L375 HydrophobicContact CG-CD2 3.96Å; E351-L375 VanDerWaalsContact OE2-CD2 3.32Å; E351-L375 WeakPolarHBondContact OE2-CD2 3.42Å
352V98.2Very high95.4Very high0 Ų035.3 Ų35.30%018%0.176CC..Hα-helixtrans-58.6-49.1170.6170.50000110N348 E354 L355 E356 L375 T381 D385 L389N348-V352 WeakPolarHBondContact O-CG2 3.34Å; N348-V352 PolarHBondContact O-N 3.11Å; N348-V352 VanDerWaalsContact O-N 3.15Å; V352-E354 VanDerWaalsContact C-N 3.35Å; V352-E354 PolarHBondContact O-N 3.13Å; V352-L355 PolarHBondContact O-N 3.06Å; V352-L355 VanDerWaalsContact O-N 3.16Å; V352-E356 HydrophobicContact CG1-CG 4.17Å; V352-E356 WeakPolarHBondContact O-CG 3.38Å; V352-E356 PolarHBondContact O-N 3.2Å; V352-L375 HydrophobicContact CG2-CD1 4.34Å; V352-T381 HydrophobicContact CG2-CG2 4.22Å; V352-D385 HydrophobicContact CG1-CB 4.06Å; V352-D385 HydrophobicContact CG2-CB 4.45Å; V352-L389 HydrophobicContact CG1-CD1 4.35Å; V352-L389 HydrophobicContact CG1-CD2 4.38Å; V352-L389 HydrophobicContact CG1-CG 4.36Å
353S96.6Very high95Very high0 Ų035.5 Ų35.50%019%0.192CC..Hα-helixtrans-64.1-37.8-177.8-62.30000112.6N231 W233 L349 L350 E351 L355 E356 Q357N231-S353 VanDerWaalsContact CB-OG 3.31Å; N231-S353 WeakPolarHBondContact CB-OG 3.41Å; W233-S353 WeakPolarHBondContact CZ2-OG 3.2Å; W233-S353 VanDerWaalsContact NE1-CB 3.34Å; W233-S353 PolarHBondContact NE1-OG 3.36Å; L349-S353 WeakPolarHBondContact O-CB 3.11Å; L349-S353 PolarHBondContact O-N 3.4Å; L349-S353 PolarHBondContact O-OG 3.1Å; L350-S353 PolarHBondContact O-N 2.93Å; E351-S353 VanDerWaalsContact C-N 3.34Å; S353-L355 VanDerWaalsContact C-N 3.28Å; S353-L355 PolarHBondContact O-N 2.91Å; S353-E356 PolarHBondContact O-N 3.17Å; S353-Q357 WeakPolarHBondContact O-CB 3.45Å; S353-Q357 VanDerWaalsContact O-CG 3.25Å; S353-Q357 WeakPolarHBondContact O-CG 3.28Å; S353-Q357 PolarHBondContact O-N 3.05Å
354E96.1Very high94.9Very high89 Ų8938.7 Ų38.742%0.41621%0.209SC..Hα-helixtrans-56.9-44.8174.5-174-179169.500111.1L350 E351 V352 H358L350-E354 PolarHBondContact O-N 3.29Å; E351-E354 PolarHBondContact O-N 3.36Å; V352-E354 VanDerWaalsContact C-N 3.35Å; V352-E354 PolarHBondContact O-N 3.13Å; E354-H358 WeakPolarHBondContact O-CB 3.46Å; E354-H358 PolarHBondContact O-N 2.99Å
355L97.4Very high94.9Very high6 Ų639.1 Ų39.13%0.03121%0.21CC..Hα-helixtrans-71.1-36.9176.6-174.759000112.7E351 V352 S353 H358 L359 Y367 N371 I372 L375 L389E351-L355 PolarHBondContact O-N 2.79Å; V352-L355 PolarHBondContact O-N 3.06Å; V352-L355 VanDerWaalsContact O-N 3.16Å; S353-L355 VanDerWaalsContact C-N 3.28Å; S353-L355 PolarHBondContact O-N 2.91Å; L355-H358 PolarHBondContact O-N 2.78Å; L355-L359 HydrophobicContact CD1-CG 4.44Å; L355-L359 HydrophobicContact CG-CD1 4.15Å; L355-L359 HydrophobicContact CG-CG 4.46Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 WeakPolarHBondContact O-CG 3.35Å; L355-L359 PolarHBondContact O-N 3.01Å; L355-Y367 HydrophobicContact CD1-CE1 4.37Å; L355-N371 HydrophobicContact CD1-CB 3.75Å; L355-N371 HydrophobicContact CD2-CB 3.84Å; L355-N371 HydrophobicContact CG-CB 4.41Å; L355-I372 HydrophobicContact CD2-CB 4.43Å; L355-I372 HydrophobicContact CD2-CG1 3.73Å; L355-L375 HydrophobicContact CB-CD1 4.04Å; L355-L375 HydrophobicContact CD2-CD1 3.64Å; L355-L375 HydrophobicContact CD2-CG 4.43Å; L355-L389 HydrophobicContact CB-CD2 4.18Å; L355-L389 HydrophobicContact CD2-CD1 4.34Å; L355-L389 HydrophobicContact CD2-CD2 3.99Å; L355-L389 HydrophobicContact CG-CD2 4.04Å
356E98Very high94.9Very high0 Ų039.3 Ų39.30%022%0.215CC..Hα-helixtrans-59.2-47.2174.3-72.1-179.3153.700111.5L230 N231 V352 S353 H358 L359 A360 R388 L389 L392L230-E356 HydrophobicContact CD2-CB 3.8Å; N231-E356 VanDerWaalsContact CB-OE2 3.29Å; N231-E356 WeakPolarHBondContact CB-OE2 3.25Å; N231-E356 PolarHBondContact N-OE2 3.18Å; N231-E356 VanDerWaalsContact ND2-CD 3.33Å; N231-E356 PolarHBondContact ND2-OE1 3.24Å; N231-E356 VanDerWaalsContact ND2-OE1 3.14Å; N231-E356 PolarHBondContact ND2-OE2 3.08Å; V352-E356 HydrophobicContact CG1-CG 4.17Å; V352-E356 WeakPolarHBondContact O-CG 3.38Å; V352-E356 PolarHBondContact O-N 3.2Å; S353-E356 PolarHBondContact O-N 3.17Å; E356-H358 VanDerWaalsContact C-N 3.29Å; E356-H358 PolarHBondContact O-N 3.27Å; E356-L359 PolarHBondContact O-N 2.74Å; E356-A360 WeakPolarHBondContact O-CB 3.36Å; E356-A360 PolarHBondContact O-N 3.34Å; E356-R388 IonicContact OE1-CZ 3.16Å; E356-R388 IonicContact OE1-NE 3.24Å; E356-R388 IonicContact OE1-NH2 3.01Å; E356-R388 PolarHBondContact OE1-NH2 3.04Å; E356-R388 IonicContact OE2-NH2 3.43Å; E356-R388 PolarHBondContact OE2-NH2 3.44Å; E356-L389 HydrophobicContact CG-CD2 3.66Å; E356-L392 HydrophobicContact CB-CD1 3.98Å; E356-L392 HydrophobicContact CG-CD1 3.71Å
357Q96.2Very high95Very high7 Ų740 Ų403%0.03321%0.213CC..Hα-helixtrans-63.5-38176.2-66.5-63.4-4300111S353 A360 C361 I464 Y465S353-Q357 WeakPolarHBondContact O-CB 3.45Å; S353-Q357 VanDerWaalsContact O-CG 3.25Å; S353-Q357 WeakPolarHBondContact O-CG 3.28Å; S353-Q357 PolarHBondContact O-N 3.05Å; Q357-A360 PolarHBondContact O-N 3.21Å; Q357-C361 WeakPolarHBondContact O-CB 3.42Å; Q357-C361 PolarHBondContact O-N 3.12Å; Q357-C361 PolarHBondContact O-SG 3.26Å; Q357-C361 VanDerWaalsContact O-SG 3.35Å; Q357-I464 WeakPolarHBondContact CG-O 3.39Å; Q357-Y465 PolarHBondContact NE2-O 2.84Å
358H94.7Very high95Very high33 Ų3335.3 Ų35.315%0.15319%0.194CC..Hα-helixtrans-63.2-46.3174.6-174.798000112.7E354 L355 E356 A360 C361 H362 Y367 S368E354-H358 WeakPolarHBondContact O-CB 3.46Å; E354-H358 PolarHBondContact O-N 2.99Å; L355-H358 PolarHBondContact O-N 2.78Å; E356-H358 VanDerWaalsContact C-N 3.29Å; E356-H358 PolarHBondContact O-N 3.27Å; H358-A360 VanDerWaalsContact C-N 3.26Å; H358-A360 PolarHBondContact O-N 3.29Å; H358-C361 PolarHBondContact O-N 3Å; H358-H362 AromaticContact ND1-CD2 3.55Å; H358-H362 AromaticContact ND1-CG 3.98Å; H358-H362 WeakPolarHBondContact O-CA 3.27Å; H358-H362 WeakPolarHBondContact O-CB 3.39Å; H358-H362 PolarHBondContact O-N 2.82Å; H358-Y367 AromaticContact CD2-CD1 3.67Å; H358-Y367 AromaticContact CD2-CE1 3.96Å; H358-Y367 AromaticContact CE1-CD1 3.45Å; H358-Y367 VanDerWaalsContact CE1-CD1 3.45Å; H358-Y367 WeakPolarHBondContact CE1-CD1 3.43Å; H358-Y367 AromaticContact CE1-CE1 3.75Å; H358-Y367 AromaticContact CG-CD1 3.99Å; H358-Y367 AromaticContact CG-CE1 3.82Å; H358-Y367 AromaticContact ND1-CD1 3.86Å; H358-Y367 AromaticContact ND1-CE1 3.69Å; H358-Y367 AromaticContact NE2-CD1 3.32Å; H358-Y367 VanDerWaalsContact NE2-CD1 3.32Å; H358-Y367 WeakPolarHBondContact NE2-CD1 3.28Å; H358-Y367 AromaticContact NE2-CE1 3.94Å; H358-S368 PolarHBondContact CD2-OG 2.75Å
359L95.7Very high95.1Very high2 Ų235.2 Ų35.21%0.0119%0.194CC..Hα-helixtrans-62.7-33.3176.9-73.9166.7000112.5L355 E356 I372 L389 L392 Y393 R396 F397L355-L359 HydrophobicContact CD1-CG 4.44Å; L355-L359 HydrophobicContact CG-CD1 4.15Å; L355-L359 HydrophobicContact CG-CG 4.46Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 WeakPolarHBondContact O-CG 3.35Å; L355-L359 PolarHBondContact O-N 3.01Å; E356-L359 PolarHBondContact O-N 2.74Å; L359-I372 HydrophobicContact CD1-CD1 4.12Å; L359-I372 HydrophobicContact CD1-CG1 4.37Å; L359-I372 HydrophobicContact CD2-CD1 4.19Å; L359-L389 HydrophobicContact CD1-CD2 4.1Å; L359-L392 HydrophobicContact CB-CB 4.18Å; L359-L392 HydrophobicContact CD1-CB 3.94Å; L359-Y393 HydrophobicContact CD2-CD2 4.44Å; L359-R396 VanDerWaalsContact O-CD 3.25Å; L359-R396 WeakPolarHBondContact O-CD 3.45Å; L359-R396 WeakPolarHBondContact O-CG 3.44Å; L359-F397 HydrophobicContact CD2-CE2 3.83Å
360A94Very high95.1Very high12 Ų1241.7 Ų41.710%0.09922%0.224CC..Hα-helixtrans-77.2-36.6178.900000113.1I226 L230 E356 Q357 H358 H468I226-A360 HydrophobicContact CG2-CB 4.09Å; L230-A360 HydrophobicContact CD1-CB 4.25Å; L230-A360 HydrophobicContact CD2-CB 4.19Å; E356-A360 WeakPolarHBondContact O-CB 3.36Å; E356-A360 PolarHBondContact O-N 3.34Å; Q357-A360 PolarHBondContact O-N 3.21Å; H358-A360 VanDerWaalsContact C-N 3.26Å; H358-A360 PolarHBondContact O-N 3.29Å; A360-H468 HydrophobicContact CB-CB 4.05Å
361C91.1Very high95.3Very high23 Ų2338.9 Ų38.916%0.15521%0.209CC..Hα-helixtrans-108.4-23.6-168.4-56.70000114.6Q357 H358 I445 H468Q357-C361 WeakPolarHBondContact O-CB 3.42Å; Q357-C361 PolarHBondContact O-N 3.12Å; Q357-C361 PolarHBondContact O-SG 3.26Å; Q357-C361 VanDerWaalsContact O-SG 3.35Å; H358-C361 PolarHBondContact O-N 3Å; C361-I445 WeakPolarHBondContact O-CD1 3.17Å; C361-H468 PolarHBondContact SG-N 2.71Å
362H88Confident95.3Very high64 Ų6436.4 Ų36.430%0.29620%0.198SC..  trans-117.1162.4-172.8-58.1-59000111.7H358 R396 Q467H358-H362 AromaticContact ND1-CD2 3.55Å; H358-H362 AromaticContact ND1-CG 3.98Å; H358-H362 WeakPolarHBondContact O-CA 3.27Å; H358-H362 WeakPolarHBondContact O-CB 3.39Å; H358-H362 PolarHBondContact O-N 2.82Å; H362-R396 PolarHBondContact O-NE 3.35Å; H362-R396 PolarHBondContact O-NH2 3.33Å; H362-Q467 PolarHBondContact NE2-OE1 3.24Å
363A85.4Confident95.4Very high72 Ų7241.7 Ų41.760%0.59522%0.217SC*.  trans-114.416.2-175.200000113.6H365A363-H365 PolarHBondContact O-N 3.01Å; A363-H365 VanDerWaalsContact O-N 3.1Å
364D93.3Very high95.4Very high79 Ų7946.6 Ų46.642%0.42224%0.236SC..  trans-80.894.1-179-169.9-21.7000111.1S366 Y367 S368D364-S366 PolarHBondContact OD1-N 3.01Å; D364-S366 VanDerWaalsContact OD1-N 3.16Å; D364-Y367 WeakPolarHBondContact OD1-CB 3.49Å; D364-Y367 PolarHBondContact OD1-N 3.41Å; D364-Y367 WeakPolarHBondContact OD2-CB 3.41Å; D364-S368 WeakPolarHBondContact O-CB 3.36Å; D364-S368 PolarHBondContact O-N 3.3Å; D364-S368 PolarHBondContact O-OG 2.99Å
365H95.4Very high95.5Very high16 Ų1642.4 Ų42.47%0.07422%0.216CC..Hα-helixtrans-61.2-43.3179169.8-91.7000112.8A363 S368 L369 Y393 F397 H400 S402A363-H365 PolarHBondContact O-N 3.01Å; A363-H365 VanDerWaalsContact O-N 3.1Å; H365-S368 PolarHBondContact O-N 3.41Å; H365-L369 VanDerWaalsContact O-CB 3.28Å; H365-L369 WeakPolarHBondContact O-CB 2.97Å; H365-L369 PolarHBondContact O-N 3.25Å; H365-Y393 PolarHBondContact CD2-OH 2.66Å; H365-Y393 AromaticContact NE2-CZ 3.87Å; H365-Y393 PolarHBondContact NE2-OH 2.7Å; H365-F397 HydrophobicContact CB-CD1 4.05Å; H365-F397 HydrophobicContact CB-CE1 3.72Å; H365-F397 HydrophobicContact CB-CZ 4.11Å; H365-F397 AromaticContact CD2-CG 3.97Å; H365-H400 AromaticContact CD2-CE1 3.66Å; H365-H400 AromaticContact CD2-CG 3.82Å; H365-H400 AromaticContact CD2-ND1 3.4Å; H365-H400 PolarHBondContact CD2-ND1 3.09Å; H365-H400 AromaticContact CE1-CE1 3.92Å; H365-H400 AromaticContact CE1-ND1 3.93Å; H365-H400 AromaticContact CG-CE1 3.33Å; H365-H400 AromaticContact CG-ND1 3.59Å; H365-H400 AromaticContact CG-NE2 3.73Å; H365-H400 AromaticContact ND1-CE1 3.52Å; H365-H400 AromaticContact ND1-ND1 3.92Å; H365-H400 AromaticContact NE2-CE1 3.98Å; H365-H400 AromaticContact NE2-ND1 3.6Å; H365-S402 PolarHBondContact CE1-O 3.31Å; H365-S402 PolarHBondContact NE2-O 2.92Å
366S96Very high95.6Very high88 Ų8842.2 Ų42.262%0.61522%0.215SC*.Hα-helixtrans-67.1-47.9-175.6-66.80000111.1D364 L369 Q370D364-S366 PolarHBondContact OD1-N 3.01Å; D364-S366 VanDerWaalsContact OD1-N 3.16Å; S366-L369 PolarHBondContact O-N 2.82Å; S366-Q370 WeakPolarHBondContact O-CB 3.38Å; S366-Q370 PolarHBondContact O-N 3.07Å
367Y96.8Very high95.5Very high85 Ų8547.9 Ų47.933%0.33325%0.245SC..Hα-helixtrans-60.4-46.4175.3176.8-87.7000111.3L355 H358 D364 Q370 N371L355-Y367 HydrophobicContact CD1-CE1 4.37Å; H358-Y367 AromaticContact CD2-CD1 3.67Å; H358-Y367 AromaticContact CD2-CE1 3.96Å; H358-Y367 AromaticContact CE1-CD1 3.45Å; H358-Y367 VanDerWaalsContact CE1-CD1 3.45Å; H358-Y367 WeakPolarHBondContact CE1-CD1 3.43Å; H358-Y367 AromaticContact CE1-CE1 3.75Å; H358-Y367 AromaticContact CG-CD1 3.99Å; H358-Y367 AromaticContact CG-CE1 3.82Å; H358-Y367 AromaticContact ND1-CD1 3.86Å; H358-Y367 AromaticContact ND1-CE1 3.69Å; H358-Y367 AromaticContact NE2-CD1 3.32Å; H358-Y367 VanDerWaalsContact NE2-CD1 3.32Å; H358-Y367 WeakPolarHBondContact NE2-CD1 3.28Å; H358-Y367 AromaticContact NE2-CE1 3.94Å; D364-Y367 WeakPolarHBondContact OD1-CB 3.49Å; D364-Y367 PolarHBondContact OD1-N 3.41Å; D364-Y367 WeakPolarHBondContact OD2-CB 3.41Å; Y367-Q370 PolarHBondContact O-N 3.29Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.25Å; Y367-N371 WeakPolarHBondContact CE1-ND2 3.19Å; Y367-N371 VanDerWaalsContact CE2-ND2 3.3Å; Y367-N371 WeakPolarHBondContact CE2-ND2 3.22Å; Y367-N371 VanDerWaalsContact CZ-ND2 3.3Å; Y367-N371 WeakPolarHBondContact O-CB 3.3Å; Y367-N371 PolarHBondContact O-N 3.22Å; Y367-N371 PolarHBondContact O-ND2 3.44Å
368S97Very high95.5Very high0 Ų050.2 Ų50.20%026%0.256CS..Hα-helixtrans-59.1-51.3178.9-67.50000111.4H358 D364 H365 Q370 N371 I372H358-S368 PolarHBondContact CD2-OG 2.75Å; D364-S368 WeakPolarHBondContact O-CB 3.36Å; D364-S368 PolarHBondContact O-N 3.3Å; D364-S368 PolarHBondContact O-OG 2.99Å; H365-S368 PolarHBondContact O-N 3.41Å; S368-Q370 PolarHBondContact O-N 2.96Å; S368-N371 PolarHBondContact O-N 2.88Å; S368-I372 WeakPolarHBondContact O-CB 3.09Å; S368-I372 WeakPolarHBondContact O-CG1 3.13Å; S368-I372 PolarHBondContact O-N 3.03Å
369L97.8Very high95.6Very high28 Ų2856.7 Ų56.715%0.14729%0.287CS..Hα-helixtrans-62.2-42.2-178.1-178.559.8000112H365 S366 R373 Y393 D404 L408H365-L369 VanDerWaalsContact O-CB 3.28Å; H365-L369 WeakPolarHBondContact O-CB 2.97Å; H365-L369 PolarHBondContact O-N 3.25Å; S366-L369 PolarHBondContact O-N 2.82Å; L369-R373 WeakPolarHBondContact O-CG 3.48Å; L369-R373 PolarHBondContact O-N 3.12Å; L369-Y393 HydrophobicContact CB-CE2 4.23Å; L369-Y393 HydrophobicContact CD1-CE2 4.2Å; L369-D404 HydrophobicContact CD1-CB 4.06Å; L369-D404 HydrophobicContact CD2-CB 3.99Å; L369-L408 HydrophobicContact CD1-CD1 3.97Å; L369-L408 HydrophobicContact CD1-CD2 3.88Å; L369-L408 HydrophobicContact CD1-CG 3.97Å
370Q97.9Very high95.7Very high139 Ų13960.7 Ų60.765%0.6530%0.304SS*.Hα-helixtrans-63.2-47.3177.7-175.4-179.71100111.7S366 Y367 S368 R373 R374S366-Q370 WeakPolarHBondContact O-CB 3.38Å; S366-Q370 PolarHBondContact O-N 3.07Å; Y367-Q370 PolarHBondContact O-N 3.29Å; S368-Q370 PolarHBondContact O-N 2.96Å; Q370-R373 PolarHBondContact O-N 3.03Å; Q370-R374 PolarHBondContact O-N 3.28Å; Q370-R374 VanDerWaalsContact O-N 3.09Å
371N98.2Very high95.9Very high22 Ų2260.2 Ų60.212%0.11830%0.3CS..Hα-helixtrans-71.7-34-177.8-78.9-71.3000113L355 Y367 S368 R373 R374 L375L355-N371 HydrophobicContact CD1-CB 3.75Å; L355-N371 HydrophobicContact CD2-CB 3.84Å; L355-N371 HydrophobicContact CG-CB 4.41Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.25Å; Y367-N371 WeakPolarHBondContact CE1-ND2 3.19Å; Y367-N371 VanDerWaalsContact CE2-ND2 3.3Å; Y367-N371 WeakPolarHBondContact CE2-ND2 3.22Å; Y367-N371 VanDerWaalsContact CZ-ND2 3.3Å; Y367-N371 WeakPolarHBondContact O-CB 3.3Å; Y367-N371 PolarHBondContact O-N 3.22Å; Y367-N371 PolarHBondContact O-ND2 3.44Å; S368-N371 PolarHBondContact O-N 2.88Å; N371-R373 VanDerWaalsContact C-N 3.35Å; N371-R373 PolarHBondContact O-N 3.21Å; N371-R374 WeakPolarHBondContact O-CB 3.28Å; N371-R374 PolarHBondContact O-N 2.87Å; N371-R374 PolarHBondContact OD1-NE 2.87Å; N371-L375 PolarHBondContact O-N 3.18Å
372I98.5Very high96.1Very high0 Ų060.3 Ų60.30%030%0.301CS..Hα-helixtrans-59.9-48.5171.8-69168.9000109.4L355 L359 S368 R374 L375 L376 V390 Y393 L408L355-I372 HydrophobicContact CD2-CB 4.43Å; L355-I372 HydrophobicContact CD2-CG1 3.73Å; L359-I372 HydrophobicContact CD1-CD1 4.12Å; L359-I372 HydrophobicContact CD1-CG1 4.37Å; L359-I372 HydrophobicContact CD2-CD1 4.19Å; S368-I372 WeakPolarHBondContact O-CB 3.09Å; S368-I372 WeakPolarHBondContact O-CG1 3.13Å; S368-I372 PolarHBondContact O-N 3.03Å; I372-R374 PolarHBondContact O-N 3.29Å; I372-L375 PolarHBondContact O-N 2.83Å; I372-L376 HydrophobicContact CG2-CD1 3.67Å; I372-L376 HydrophobicContact CG2-CD2 4.03Å; I372-L376 HydrophobicContact CG2-CG 4.43Å; I372-L376 WeakPolarHBondContact O-CB 3.33Å; I372-L376 WeakPolarHBondContact O-CD1 3.32Å; I372-L376 PolarHBondContact O-N 2.94Å; I372-V390 HydrophobicContact CG2-CG2 4.16Å; I372-Y393 HydrophobicContact CD1-CD2 3.43Å; I372-Y393 VanDerWaalsContact CD1-CD2 3.43Å; I372-Y393 HydrophobicContact CD1-CE2 4.4Å; I372-Y393 HydrophobicContact CD1-CG 3.75Å; I372-L408 HydrophobicContact CB-CD2 4.36Å; I372-L408 HydrophobicContact CD1-CD1 4.19Å; I372-L408 HydrophobicContact CG2-CD1 4.05Å; I372-L408 HydrophobicContact CG2-CD2 3.6Å; I372-L408 HydrophobicContact CG2-CG 4.41Å
373R98.4Very high96.6Very high110 Ų11060.1 Ų60.142%0.41530%0.302SS..Hα-helixtrans-58.7-38178.2-72173.5172.2-127.86.6112.1L369 Q370 N371 N377 D404 L408 L411L369-R373 WeakPolarHBondContact O-CG 3.48Å; L369-R373 PolarHBondContact O-N 3.12Å; Q370-R373 PolarHBondContact O-N 3.03Å; N371-R373 VanDerWaalsContact C-N 3.35Å; N371-R373 PolarHBondContact O-N 3.21Å; R373-N377 PolarHBondContact O-N 2.93Å; R373-N377 PolarHBondContact O-ND2 3.26Å; R373-D404 IonicContact CZ-OD2 3.94Å; R373-D404 IonicContact NE-OD2 3.4Å; R373-D404 IonicContact NH2-OD2 3.63Å; R373-D404 PolarHBondContact NH2-OD2 3.21Å; R373-L408 HydrophobicContact CG-CD2 4.05Å; R373-L411 HydrophobicContact CG-CD1 3.9Å
374R98.2Very high97.1Very high104 Ų10457.9 Ų57.939%0.39228%0.28SS..Hα-helixtrans-64-51.5175.9-172.5-178.762.277.7-4.8111.4E351 Q370 N371 I372 N377 H378E351-R374 VanDerWaalsContact CD-NH2 3.33Å; E351-R374 IonicContact OE1-CZ 3.62Å; E351-R374 IonicContact OE1-NH1 3.22Å; E351-R374 PolarHBondContact OE1-NH1 3.35Å; E351-R374 IonicContact OE1-NH2 3.79Å; E351-R374 PolarHBondContact OE1-NH2 3.17Å; E351-R374 IonicContact OE2-NH1 3.43Å; E351-R374 PolarHBondContact OE2-NH1 3.46Å; Q370-R374 PolarHBondContact O-N 3.28Å; Q370-R374 VanDerWaalsContact O-N 3.09Å; N371-R374 WeakPolarHBondContact O-CB 3.28Å; N371-R374 PolarHBondContact O-N 2.87Å; N371-R374 PolarHBondContact OD1-NE 2.87Å; I372-R374 PolarHBondContact O-N 3.29Å; R374-N377 PolarHBondContact O-N 3.25Å; R374-H378 PolarHBondContact O-N 2.89Å
375L98.3Very high97.3Very high0 Ų054.4 Ų54.40%026%0.261CS..Hα-helixtrans-68.4-35.5-178.7-69.9-176000113.5E351 V352 L355 N371 I372 N377 H378 T381 L389E351-L375 HydrophobicContact CG-CD2 3.96Å; E351-L375 VanDerWaalsContact OE2-CD2 3.32Å; E351-L375 WeakPolarHBondContact OE2-CD2 3.42Å; V352-L375 HydrophobicContact CG2-CD1 4.34Å; L355-L375 HydrophobicContact CB-CD1 4.04Å; L355-L375 HydrophobicContact CD2-CD1 3.64Å; L355-L375 HydrophobicContact CD2-CG 4.43Å; N371-L375 PolarHBondContact O-N 3.18Å; I372-L375 PolarHBondContact O-N 2.83Å; L375-N377 PolarHBondContact O-N 3.02Å; L375-H378 WeakPolarHBondContact O-CB 3.45Å; L375-H378 PolarHBondContact O-N 2.75Å; L375-T381 WeakPolarHBondContact O-CB 3.37Å; L375-T381 PolarHBondContact O-OG1 3Å; L375-L389 HydrophobicContact CB-CD1 4.01Å; L375-L389 HydrophobicContact CD1-CD1 3.86Å
376L98Very high97.5Very high3 Ų353.6 Ų53.62%0.01626%0.258CS..Hα-helixtrans-62.5-22.1173.8-95.956000113.2I372 A386 L389 V390 L408 L411 L412 R415I372-L376 HydrophobicContact CG2-CD1 3.67Å; I372-L376 HydrophobicContact CG2-CD2 4.03Å; I372-L376 HydrophobicContact CG2-CG 4.43Å; I372-L376 WeakPolarHBondContact O-CB 3.33Å; I372-L376 WeakPolarHBondContact O-CD1 3.32Å; I372-L376 PolarHBondContact O-N 2.94Å; L376-A386 HydrophobicContact CD1-CB 4.03Å; L376-A386 HydrophobicContact CG-CB 4.26Å; L376-L389 HydrophobicContact CD1-CD1 4.48Å; L376-V390 HydrophobicContact CD1-CG2 4.22Å; L376-V390 HydrophobicContact CD2-CG2 3.84Å; L376-L408 HydrophobicContact CD2-CD2 4.41Å; L376-L411 HydrophobicContact CD2-CB 3.96Å; L376-L411 HydrophobicContact CD2-CD1 4.46Å; L376-L412 HydrophobicContact CD2-CD2 4.04Å; L376-L412 HydrophobicContact CD2-CG 4.37Å; L376-L412 HydrophobicContact CG-CD2 4.12Å; L376-R415 PolarHBondContact O-NH1 3.49Å
377N96.3Very high97.6Very high118 Ų11849.4 Ų49.463%0.63123%0.228SC*.THydrogen-bonded Turntrans-97.7-4.5174.7-69.2-55.4000113R373 R374 L375R373-N377 PolarHBondContact O-N 2.93Å; R373-N377 PolarHBondContact O-ND2 3.26Å; R374-N377 PolarHBondContact O-N 3.25Å; L375-N377 PolarHBondContact O-N 3.02Å
378H97.4Very high97.7Very high57 Ų5745.4 Ų45.426%0.26421%0.213SC..  trans-73.3139.5178.5-165.1-85.6000110.5R374 L375 K380 R415R374-H378 PolarHBondContact O-N 2.89Å; L375-H378 WeakPolarHBondContact O-CB 3.45Å; L375-H378 PolarHBondContact O-N 2.75Å; H378-K380 PolarHBondContact ND1-N 3.05Å; H378-K380 VanDerWaalsContact ND1-N 3.18Å; H378-K380 PolarHBondContact O-N 3.37Å; H378-R415 PolarHBondContact O-NH1 2.85Å; H378-R415 PolarHBondContact O-NH2 3.39Å; H378-R415 VanDerWaalsContact O-NH2 3.11Å
379E96.3Very high97.8Very high168 Ų16845.4 Ų45.479%0.78521%0.213SC*.SBendtrans-68.6-34.8-174.864.9-178.2177.900112.5
380K97.4Very high97.8Very high86 Ų8644.1 Ų44.137%0.37421%0.206SC..SBendtrans-84-14.9-178.4-64.5-167.2176.9-1750115.1D346 Y347 N348 H378 S382D346-K380 WeakPolarHBondContact O-CB 3.42Å; Y347-K380 CarbonylContact C-O 3.36Å; Y347-K380 VanDerWaalsContact CA-O 3.26Å; Y347-K380 WeakPolarHBondContact CA-O 3.35Å; N348-K380 HydrophobicContact CB-CB 3.87Å; H378-K380 PolarHBondContact ND1-N 3.05Å; H378-K380 VanDerWaalsContact ND1-N 3.18Å; H378-K380 PolarHBondContact O-N 3.37Å; K380-S382 PolarHBondContact O-N 3.26Å
381T97.9Very high97.8Very high2 Ų237.5 Ų37.51%0.01218%0.175CC..SBendtrans-70.2120.5-179.7-62.90000109.2V352 L375 D385 A386 R415V352-T381 HydrophobicContact CG2-CG2 4.22Å; L375-T381 WeakPolarHBondContact O-CB 3.37Å; L375-T381 PolarHBondContact O-OG1 3Å; T381-D385 HydrophobicContact CG2-CB 4.09Å; T381-A386 HydrophobicContact CG2-CB 4.13Å; T381-R415 PolarHBondContact O-NH2 3.07Å
382S96.4Very high97.8Very high25 Ų2536.7 Ų36.718%0.17517%0.17CC..  trans-68.7158.5-179.485.30000111.3K380 L384 D385 A386K380-S382 PolarHBondContact O-N 3.26Å; S382-L384 PolarHBondContact O-N 3.24Å; S382-L384 PolarHBondContact OG-N 3.37Å; S382-D385 VanDerWaalsContact CB-OD2 3.31Å; S382-D385 WeakPolarHBondContact CB-OD2 3.35Å; S382-D385 PolarHBondContact O-N 3.33Å; S382-D385 VanDerWaalsContact OG-CG 3.25Å; S382-D385 PolarHBondContact OG-N 2.92Å; S382-D385 VanDerWaalsContact OG-N 3.09Å; S382-D385 PolarHBondContact OG-OD2 2.96Å; S382-A386 WeakPolarHBondContact O-CB 3.48Å; S382-A386 PolarHBondContact O-N 3.48Å
383D96.9Very high97.8Very high60 Ų6036.7 Ų36.732%0.32117%0.17SC..Hα-helixtrans-60.6-31.5175.2-70.5-12.9000112.3T387 R415 V417D383-T387 WeakPolarHBondContact O-CB 3.28Å; D383-T387 PolarHBondContact O-N 3.06Å; D383-T387 PolarHBondContact O-OG1 3.07Å; D383-R415 IonicContact OD1-NE 3.56Å; D383-R415 PolarHBondContact OD1-NE 3.46Å; D383-V417 HydrophobicContact CB-CG2 4.03Å
384L96.6Very high97.8Very high25 Ų2531.5 Ų31.513%0.13115%0.151CC..Hα-helixtrans-68.5-47.9176.5-177.764.4000110.6S382 T387 R388 R542 I545S382-L384 PolarHBondContact O-N 3.24Å; S382-L384 PolarHBondContact OG-N 3.37Å; L384-T387 WeakPolarHBondContact O-CB 3.19Å; L384-T387 PolarHBondContact O-N 2.94Å; L384-R388 VanDerWaalsContact O-CG 3.32Å; L384-R388 WeakPolarHBondContact O-CG 3.33Å; L384-R388 PolarHBondContact O-N 2.57Å; L384-R542 HydrophobicContact CD1-CB 4.43Å; L384-R542 HydrophobicContact CD2-CB 3.93Å; L384-I545 HydrophobicContact CD1-CD1 3.63Å
385D98.2Very high97.6Very high6 Ų626.5 Ų26.53%0.03213%0.132CC..Hα-helixtrans-64.6-42.5178.3-63.7-53.7000111.4V352 T381 S382 T387 R388 L389V352-D385 HydrophobicContact CG1-CB 4.06Å; V352-D385 HydrophobicContact CG2-CB 4.45Å; T381-D385 HydrophobicContact CG2-CB 4.09Å; S382-D385 VanDerWaalsContact CB-OD2 3.31Å; S382-D385 WeakPolarHBondContact CB-OD2 3.35Å; S382-D385 PolarHBondContact O-N 3.33Å; S382-D385 VanDerWaalsContact OG-CG 3.25Å; S382-D385 PolarHBondContact OG-N 2.92Å; S382-D385 VanDerWaalsContact OG-N 3.09Å; S382-D385 PolarHBondContact OG-OD2 2.96Å; D385-T387 VanDerWaalsContact C-N 3.29Å; D385-T387 PolarHBondContact O-N 3.4Å; D385-R388 PolarHBondContact O-N 2.9Å; D385-R388 IonicContact OD1-NH1 2.62Å; D385-L389 WeakPolarHBondContact O-CG 3.23Å; D385-L389 PolarHBondContact O-N 3.21Å
386A98.5Very high97.5Very high0 Ų028.5 Ų28.50%014%0.14CC..Hα-helixtrans-59-42.7174.300000111.4L376 T381 S382 V390 L412L376-A386 HydrophobicContact CD1-CB 4.03Å; L376-A386 HydrophobicContact CG-CB 4.26Å; T381-A386 HydrophobicContact CG2-CB 4.13Å; S382-A386 WeakPolarHBondContact O-CB 3.48Å; S382-A386 PolarHBondContact O-N 3.48Å; A386-V390 WeakPolarHBondContact O-CG2 3.45Å; A386-V390 PolarHBondContact O-N 3.07Å; A386-L412 HydrophobicContact CB-CD2 3.78Å
387T98.6Very high97.3Very high0 Ų028.8 Ų28.80%014%0.141CC..Hα-helixtrans-63.2-45.6175.6-59.10000111.2D383 L384 D385 L389 V390 M391 Y421 I545D383-T387 WeakPolarHBondContact O-CB 3.28Å; D383-T387 PolarHBondContact O-N 3.06Å; D383-T387 PolarHBondContact O-OG1 3.07Å; L384-T387 WeakPolarHBondContact O-CB 3.19Å; L384-T387 PolarHBondContact O-N 2.94Å; D385-T387 VanDerWaalsContact C-N 3.29Å; D385-T387 PolarHBondContact O-N 3.4Å; T387-L389 PolarHBondContact O-N 3.03Å; T387-V390 PolarHBondContact O-N 3.5Å; T387-M391 HydrophobicContact CG2-CE 3.75Å; T387-M391 HydrophobicContact CG2-CG 4.36Å; T387-M391 HydrophobicContact CG2-SD 4.04Å; T387-M391 WeakPolarHBondContact O-CG 3.5Å; T387-M391 PolarHBondContact O-N 3.43Å; T387-Y421 WeakPolarHBondContact CG2-O 3.47Å; T387-I545 HydrophobicContact CG2-CD1 4.43Å
388R98.4Very high97.1Very high1 Ų126.7 Ų26.70%0.00413%0.127CC..Hα-helixtrans-60.8-43.9179.3-73.4169.859.6-155.7-33112.2L229 N231 E241 E356 L384 D385 V390 M391 L392 I545L229-R388 HydrophobicContact CD2-CG 4.18Å; L229-R388 PolarHBondContact O-NE 3.3Å; L229-R388 PolarHBondContact O-NH2 3.15Å; N231-R388 VanDerWaalsContact CG-NH2 3.28Å; N231-R388 PolarHBondContact ND2-NH2 3.29Å; N231-R388 PolarHBondContact OD1-NH1 3.01Å; E241-R388 IonicContact OE1-CZ 3.5Å; E241-R388 IonicContact OE1-NH1 3.36Å; E241-R388 PolarHBondContact OE1-NH1 3.13Å; E356-R388 IonicContact OE1-CZ 3.16Å; E356-R388 IonicContact OE1-NE 3.24Å; E356-R388 IonicContact OE1-NH2 3.01Å; E356-R388 PolarHBondContact OE1-NH2 3.04Å; E356-R388 IonicContact OE2-NH2 3.43Å; E356-R388 PolarHBondContact OE2-NH2 3.44Å; L384-R388 VanDerWaalsContact O-CG 3.32Å; L384-R388 WeakPolarHBondContact O-CG 3.33Å; L384-R388 PolarHBondContact O-N 2.57Å; D385-R388 PolarHBondContact O-N 2.9Å; D385-R388 IonicContact OD1-NH1 2.62Å; R388-V390 VanDerWaalsContact C-N 3.32Å; R388-V390 PolarHBondContact O-N 3.43Å; R388-M391 WeakPolarHBondContact O-CB 3.47Å; R388-M391 PolarHBondContact O-N 3.46Å; R388-L392 WeakPolarHBondContact O-CB 3.36Å; R388-L392 WeakPolarHBondContact O-CG 3.45Å; R388-L392 PolarHBondContact O-N 3.32Å; R388-I545 HydrophobicContact CG-CD1 3.75Å
389L98.7Very high96.8Very high0 Ų028.7 Ų28.70%015%0.147CC..Hα-helixtrans-58.1-43.3175.3-73174.1000112.3V352 L355 E356 L359 L375 L376 D385 T387 Y393V352-L389 HydrophobicContact CG1-CD1 4.35Å; V352-L389 HydrophobicContact CG1-CD2 4.38Å; V352-L389 HydrophobicContact CG1-CG 4.36Å; L355-L389 HydrophobicContact CB-CD2 4.18Å; L355-L389 HydrophobicContact CD2-CD1 4.34Å; L355-L389 HydrophobicContact CD2-CD2 3.99Å; L355-L389 HydrophobicContact CG-CD2 4.04Å; E356-L389 HydrophobicContact CG-CD2 3.66Å; L359-L389 HydrophobicContact CD1-CD2 4.1Å; L375-L389 HydrophobicContact CB-CD1 4.01Å; L375-L389 HydrophobicContact CD1-CD1 3.86Å; L376-L389 HydrophobicContact CD1-CD1 4.48Å; D385-L389 WeakPolarHBondContact O-CG 3.23Å; D385-L389 PolarHBondContact O-N 3.21Å; T387-L389 PolarHBondContact O-N 3.03Å; L389-Y393 WeakPolarHBondContact O-CB 3.35Å; L389-Y393 PolarHBondContact O-N 3.33Å
390V98.7Very high96.7Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-72.5-34.6178.6-177.40000111.6I372 L376 A386 T387 R388 Y393 A394 L405 L408 V409 L412 V425I372-V390 HydrophobicContact CG2-CG2 4.16Å; L376-V390 HydrophobicContact CD1-CG2 4.22Å; L376-V390 HydrophobicContact CD2-CG2 3.84Å; A386-V390 WeakPolarHBondContact O-CG2 3.45Å; A386-V390 PolarHBondContact O-N 3.07Å; T387-V390 PolarHBondContact O-N 3.5Å; R388-V390 VanDerWaalsContact C-N 3.32Å; R388-V390 PolarHBondContact O-N 3.43Å; V390-Y393 WeakPolarHBondContact O-CB 3.41Å; V390-Y393 PolarHBondContact O-N 2.86Å; V390-A394 WeakPolarHBondContact O-CB 3.04Å; V390-A394 PolarHBondContact O-N 3.17Å; V390-L405 HydrophobicContact CG1-CD1 4.04Å; V390-L408 HydrophobicContact CG1-CB 3.8Å; V390-L408 HydrophobicContact CG1-CD1 4.41Å; V390-L408 HydrophobicContact CG2-CB 4.09Å; V390-V409 HydrophobicContact CG1-CG2 4.47Å; V390-L412 HydrophobicContact CB-CD1 3.97Å; V390-L412 HydrophobicContact CG1-CD1 4.18Å; V390-L412 HydrophobicContact CG2-CD1 3.88Å; V390-L412 HydrophobicContact CG2-CD2 4.13Å; V390-L412 HydrophobicContact CG2-CG 4.05Å; V390-V425 HydrophobicContact CB-CG2 4.2Å; V390-V425 HydrophobicContact CG1-CB 4.48Å; V390-V425 HydrophobicContact CG1-CG1 3.72Å; V390-V425 HydrophobicContact CG1-CG2 3.89Å
391M98.6Very high96.5Very high1 Ų125.8 Ų25.81%0.00515%0.147CC..Hα-helixtrans-62.6-46.6171.9-76.1176.416700112.1L229 T387 R388 Y393 A394 L395 A424 V425 V428 I545L229-M391 HydrophobicContact CD1-CB 3.84Å; L229-M391 HydrophobicContact CD2-SD 3.81Å; T387-M391 HydrophobicContact CG2-CE 3.75Å; T387-M391 HydrophobicContact CG2-CG 4.36Å; T387-M391 HydrophobicContact CG2-SD 4.04Å; T387-M391 WeakPolarHBondContact O-CG 3.5Å; T387-M391 PolarHBondContact O-N 3.43Å; R388-M391 WeakPolarHBondContact O-CB 3.47Å; R388-M391 PolarHBondContact O-N 3.46Å; M391-Y393 VanDerWaalsContact C-N 3.31Å; M391-Y393 PolarHBondContact O-N 3.12Å; M391-A394 WeakPolarHBondContact O-CB 3.46Å; M391-A394 PolarHBondContact O-N 2.93Å; M391-A394 VanDerWaalsContact O-N 3.15Å; M391-L395 WeakPolarHBondContact O-CG 3.38Å; M391-L395 PolarHBondContact O-N 3.12Å; M391-A424 HydrophobicContact CE-CB 3.24Å; M391-A424 WeakPolarHBondContact CE-O 3.37Å; M391-V425 HydrophobicContact CG-CG2 4.13Å; M391-V428 HydrophobicContact CB-CG1 3.92Å; M391-V428 HydrophobicContact CG-CB 4.44Å; M391-V428 HydrophobicContact CG-CG1 3.81Å; M391-I545 HydrophobicContact CE-CB 4.48Å; M391-I545 HydrophobicContact CE-CD1 4.22Å; M391-I545 HydrophobicContact CE-CG1 3.92Å; M391-I545 HydrophobicContact CE-CG2 3.93Å; M391-I545 HydrophobicContact SD-CD1 3.82Å; M391-I545 HydrophobicContact SD-CG1 3.69Å
392L98.2Very high96.3Very high4 Ų429.5 Ų29.52%0.02117%0.173CC..Hα-helixtrans-59.8-43.2175.5-72.9167.3000110.9I226 L229 L230 E356 L359 R388 L395 R396I226-L392 HydrophobicContact CG2-CD2 3.95Å; L229-L392 HydrophobicContact CB-CD2 3.87Å; L229-L392 HydrophobicContact CB-CG 4.1Å; L229-L392 HydrophobicContact CD1-CD2 4.2Å; L229-L392 HydrophobicContact CD1-CG 4.37Å; L230-L392 HydrophobicContact CD2-CD1 3.78Å; L230-L392 HydrophobicContact CD2-CD2 3.88Å; E356-L392 HydrophobicContact CB-CD1 3.98Å; E356-L392 HydrophobicContact CG-CD1 3.71Å; L359-L392 HydrophobicContact CB-CB 4.18Å; L359-L392 HydrophobicContact CD1-CB 3.94Å; R388-L392 WeakPolarHBondContact O-CB 3.36Å; R388-L392 WeakPolarHBondContact O-CG 3.45Å; R388-L392 PolarHBondContact O-N 3.32Å; L392-L395 PolarHBondContact O-N 3.34Å; L392-R396 WeakPolarHBondContact O-CB 3.29Å; L392-R396 PolarHBondContact O-N 2.62Å
393Y98.2Very high96.2Very high0 Ų030.4 Ų30.40%018%0.179CC..Hα-helixtrans-59.5-45.4172.4179.1-87.5000112.7L359 H365 L369 I372 L389 V390 M391 L395 R396 F397 D404 L405 L408L359-Y393 HydrophobicContact CD2-CD2 4.44Å; H365-Y393 PolarHBondContact CD2-OH 2.66Å; H365-Y393 AromaticContact NE2-CZ 3.87Å; H365-Y393 PolarHBondContact NE2-OH 2.7Å; L369-Y393 HydrophobicContact CB-CE2 4.23Å; L369-Y393 HydrophobicContact CD1-CE2 4.2Å; I372-Y393 HydrophobicContact CD1-CD2 3.43Å; I372-Y393 VanDerWaalsContact CD1-CD2 3.43Å; I372-Y393 HydrophobicContact CD1-CE2 4.4Å; I372-Y393 HydrophobicContact CD1-CG 3.75Å; L389-Y393 WeakPolarHBondContact O-CB 3.35Å; L389-Y393 PolarHBondContact O-N 3.33Å; V390-Y393 WeakPolarHBondContact O-CB 3.41Å; V390-Y393 PolarHBondContact O-N 2.86Å; M391-Y393 VanDerWaalsContact C-N 3.31Å; M391-Y393 PolarHBondContact O-N 3.12Å; Y393-L395 VanDerWaalsContact C-N 3.35Å; Y393-L395 PolarHBondContact O-N 2.91Å; Y393-R396 PolarHBondContact O-N 2.9Å; Y393-F397 AromaticContact CD2-CD2 3.38Å; Y393-F397 HydrophobicContact CD2-CD2 3.38Å; Y393-F397 AromaticContact CD2-CE2 3.82Å; Y393-F397 HydrophobicContact CD2-CE2 3.82Å; Y393-F397 HydrophobicContact CD2-CG 4.47Å; Y393-F397 AromaticContact CE2-CD2 3.51Å; Y393-F397 HydrophobicContact CE2-CD2 3.51Å; Y393-F397 HydrophobicContact CE2-CE2 4.03Å; Y393-F397 HydrophobicContact CE2-CG 4.28Å; Y393-F397 AromaticContact CG-CD2 3.99Å; Y393-F397 HydrophobicContact CG-CD2 3.99Å; Y393-F397 PolarHBondContact O-N 2.89Å; Y393-D404 PolarHBondContact OH-N 3.42Å; Y393-L405 HydrophobicContact CD1-CD1 4.19Å; Y393-L405 HydrophobicContact CE1-CB 4.46Å; Y393-L408 HydrophobicContact CD1-CD1 3.47Å; Y393-L408 VanDerWaalsContact CD1-CD1 3.47Å; Y393-L408 HydrophobicContact CD2-CD1 4.05Å; Y393-L408 HydrophobicContact CE1-CD1 3.67Å; Y393-L408 HydrophobicContact CE2-CD1 4.22Å; Y393-L408 HydrophobicContact CG-CD1 3.67Å
394A97.4Very high96.2Very high1 Ų129.7 Ų29.71%0.00818%0.175CC..Hα-helixtrans-61.5-43.9-179.700000111.6V390 M391 E398 L405 V425 V429V390-A394 WeakPolarHBondContact O-CB 3.04Å; V390-A394 PolarHBondContact O-N 3.17Å; M391-A394 WeakPolarHBondContact O-CB 3.46Å; M391-A394 PolarHBondContact O-N 2.93Å; M391-A394 VanDerWaalsContact O-N 3.15Å; A394-E398 VanDerWaalsContact O-CA 3.29Å; A394-E398 WeakPolarHBondContact O-CA 3.23Å; A394-E398 WeakPolarHBondContact O-CB 3.4Å; A394-E398 PolarHBondContact O-N 3.36Å; A394-L405 HydrophobicContact CB-CD1 3.58Å; A394-L405 HydrophobicContact CB-CD2 4.02Å; A394-L405 HydrophobicContact CB-CG 4.47Å; A394-V425 HydrophobicContact CB-CG1 4Å; A394-V429 HydrophobicContact CB-CG2 3.61Å
395L95.8Very high96.2Very high0 Ų029.9 Ų29.90%018%0.176CC..Hα-helixtrans-67.4-40.8174.5-68.6171.6000111.4A225 I226 L229 M391 L392 Y393 V428 R437A225-L395 HydrophobicContact CB-CD1 3.93Å; A225-L395 HydrophobicContact CB-CD2 4.43Å; I226-L395 HydrophobicContact CG1-CD1 4.18Å; L229-L395 HydrophobicContact CD1-CD1 3.81Å; M391-L395 WeakPolarHBondContact O-CG 3.38Å; M391-L395 PolarHBondContact O-N 3.12Å; L392-L395 PolarHBondContact O-N 3.34Å; Y393-L395 VanDerWaalsContact C-N 3.35Å; Y393-L395 PolarHBondContact O-N 2.91Å; L395-V428 HydrophobicContact CD1-CG2 4.01Å; L395-V428 HydrophobicContact CD2-CG1 4.42Å; L395-V428 HydrophobicContact CD2-CG2 4.35Å; L395-V428 HydrophobicContact CG-CG1 4.22Å; L395-V428 HydrophobicContact CG-CG2 4.39Å; L395-R437 VanDerWaalsContact O-CZ 3.26Å; L395-R437 PolarHBondContact O-NH1 2.94Å; L395-R437 PolarHBondContact O-NH2 3.23Å
396R94.1Very high96.2Very high42 Ų4239 Ų3916%0.15821%0.21CC..Hα-helixtrans-70.8-43.9-175.5-176.858.8176.5152.6-2.1112.6L359 H362 L392 Y393 S442L359-R396 VanDerWaalsContact O-CD 3.25Å; L359-R396 WeakPolarHBondContact O-CD 3.45Å; L359-R396 WeakPolarHBondContact O-CG 3.44Å; H362-R396 PolarHBondContact O-NE 3.35Å; H362-R396 PolarHBondContact O-NH2 3.33Å; L392-R396 WeakPolarHBondContact O-CB 3.29Å; L392-R396 PolarHBondContact O-N 2.62Å; Y393-R396 PolarHBondContact O-N 2.9Å; R396-S442 PolarHBondContact NH1-OG 2.76Å; R396-S442 PolarHBondContact NH2-OG 3.3Å
397F95.3Very high96.1Very high9 Ų939.8 Ų39.84%0.03922%0.218CC..THydrogen-bonded Turntrans-114.131.1-170.7-58.1-67.9000112.3L359 H365 Y393 S399 H400 S403L359-F397 HydrophobicContact CD2-CE2 3.83Å; H365-F397 HydrophobicContact CB-CD1 4.05Å; H365-F397 HydrophobicContact CB-CE1 3.72Å; H365-F397 HydrophobicContact CB-CZ 4.11Å; H365-F397 AromaticContact CD2-CG 3.97Å; Y393-F397 AromaticContact CD2-CD2 3.38Å; Y393-F397 HydrophobicContact CD2-CD2 3.38Å; Y393-F397 AromaticContact CD2-CE2 3.82Å; Y393-F397 HydrophobicContact CD2-CE2 3.82Å; Y393-F397 HydrophobicContact CD2-CG 4.47Å; Y393-F397 AromaticContact CE2-CD2 3.51Å; Y393-F397 HydrophobicContact CE2-CD2 3.51Å; Y393-F397 HydrophobicContact CE2-CE2 4.03Å; Y393-F397 HydrophobicContact CE2-CG 4.28Å; Y393-F397 AromaticContact CG-CD2 3.99Å; Y393-F397 HydrophobicContact CG-CD2 3.99Å; Y393-F397 PolarHBondContact O-N 2.89Å; F397-S399 VanDerWaalsContact C-N 3.27Å; F397-S399 PolarHBondContact O-N 2.77Å; F397-H400 HydrophobicContact CB-CB 3.74Å; F397-H400 HydrophobicContact CD1-CB 4.2Å; F397-H400 HydrophobicContact CG-CB 4.43Å; F397-H400 WeakPolarHBondContact O-CB 2.93Å; F397-H400 PolarHBondContact O-N 3.27Å; F397-H400 VanDerWaalsContact O-N 3.09Å; F397-S403 PolarHBondContact O-OG 3.13Å
398E92.5Very high96.1Very high74 Ų7439.8 Ų39.835%0.34622%0.218SC..THydrogen-bonded Turntrans-50.8-44.6-177.3-175.3177.2157.600112.6A394 V429 G433 L434 R437A394-E398 VanDerWaalsContact O-CA 3.29Å; A394-E398 WeakPolarHBondContact O-CA 3.23Å; A394-E398 WeakPolarHBondContact O-CB 3.4Å; A394-E398 PolarHBondContact O-N 3.36Å; E398-V429 VanDerWaalsContact CD-CG1 3.49Å; E398-V429 HydrophobicContact CG-CG1 3.75Å; E398-G433 WeakPolarHBondContact OE2-CA 3.37Å; E398-L434 HydrophobicContact CB-CD1 4.03Å; E398-L434 HydrophobicContact CB-CG 4.28Å; E398-L434 HydrophobicContact CG-CD1 4.3Å; E398-L434 WeakPolarHBondContact OE2-CG 3.34Å; E398-L434 PolarHBondContact OE2-N 3.43Å; E398-R437 IonicContact OE2-NH2 2.61Å
399S90.8Very high96.1Very high98 Ų9839.8 Ų39.869%0.68522%0.218SC*.THydrogen-bonded Turntrans-106.413.3-179.962.80000113.8F397F397-S399 VanDerWaalsContact C-N 3.27Å; F397-S399 PolarHBondContact O-N 2.77Å
400H93.2Very high96.1Very high63 Ų6343 Ų4329%0.29224%0.236SC..  trans-72.5126.7-177.3-169.3-86.6000110.6H365 F397 S402 S403H365-H400 AromaticContact CD2-CE1 3.66Å; H365-H400 AromaticContact CD2-CG 3.82Å; H365-H400 AromaticContact CD2-ND1 3.4Å; H365-H400 PolarHBondContact CD2-ND1 3.09Å; H365-H400 AromaticContact CE1-CE1 3.92Å; H365-H400 AromaticContact CE1-ND1 3.93Å; H365-H400 AromaticContact CG-CE1 3.33Å; H365-H400 AromaticContact CG-ND1 3.59Å; H365-H400 AromaticContact CG-NE2 3.73Å; H365-H400 AromaticContact ND1-CE1 3.52Å; H365-H400 AromaticContact ND1-ND1 3.92Å; H365-H400 AromaticContact NE2-CE1 3.98Å; H365-H400 AromaticContact NE2-ND1 3.6Å; F397-H400 HydrophobicContact CB-CB 3.74Å; F397-H400 HydrophobicContact CD1-CB 4.2Å; F397-H400 HydrophobicContact CG-CB 4.43Å; F397-H400 WeakPolarHBondContact O-CB 2.93Å; F397-H400 PolarHBondContact O-N 3.27Å; F397-H400 VanDerWaalsContact O-N 3.09Å; H400-S402 PolarHBondContact ND1-N 2.89Å; H400-S402 VanDerWaalsContact ND1-N 3.2Å; H400-S402 PolarHBondContact O-N 2.74Å; H400-S402 VanDerWaalsContact O-N 3.14Å; H400-S403 WeakPolarHBondContact O-CB 3.26Å; H400-S403 PolarHBondContact O-N 3.45Å
401P92.9Very high96.1Very high131 Ų13144.9 Ų44.985%0.85125%0.246SC*.THydrogen-bonded Turntrans-58.2-32.7-174.9-26.634.4000114.4
402S94.8Very high96.1Very high80 Ų8044.9 Ų44.956%0.55925%0.245SC*.THydrogen-bonded Turntrans-98.820.3178-48.30000113.2H365 H400 D404H365-S402 PolarHBondContact CE1-O 3.31Å; H365-S402 PolarHBondContact NE2-O 2.92Å; H400-S402 PolarHBondContact ND1-N 2.89Å; H400-S402 VanDerWaalsContact ND1-N 3.2Å; H400-S402 PolarHBondContact O-N 2.74Å; H400-S402 VanDerWaalsContact O-N 3.14Å; S402-D404 PolarHBondContact O-N 2.85Å
403S93.9Very high96.1Very high43 Ų4350.4 Ų50.430%0.30127%0.266SS..  trans-59.2126.2177.1-173.40000111F397 H400F397-S403 PolarHBondContact O-OG 3.13Å; H400-S403 WeakPolarHBondContact O-CB 3.26Å; H400-S403 PolarHBondContact O-N 3.45Å
404D96.8Very high96Very high45 Ų4558.9 Ų58.924%0.24130%0.303CS..  trans-10940.6177.8-176.235.4000111.2L369 R373 Y393 S402 R406 G407 L408L369-D404 HydrophobicContact CD1-CB 4.06Å; L369-D404 HydrophobicContact CD2-CB 3.99Å; R373-D404 IonicContact CZ-OD2 3.94Å; R373-D404 IonicContact NE-OD2 3.4Å; R373-D404 IonicContact NH2-OD2 3.63Å; R373-D404 PolarHBondContact NH2-OD2 3.21Å; Y393-D404 PolarHBondContact OH-N 3.42Å; S402-D404 PolarHBondContact O-N 2.85Å; D404-R406 PolarHBondContact O-N 3.3Å; D404-G407 PolarHBondContact O-N 2.97Å; D404-G407 WeakPolarHBondContact OD1-CA 3.01Å; D404-G407 PolarHBondContact OD1-N 2.68Å; D404-L408 PolarHBondContact O-N 2.83Å
405L97.3Very high96Very high29 Ų2962.5 Ų62.515%0.15232%0.316CS..Hα-helixtrans-56.2-41.3-178.5-17660000112.1V390 Y393 A394 G407 L408 V409 V425 Y426V390-L405 HydrophobicContact CG1-CD1 4.04Å; Y393-L405 HydrophobicContact CD1-CD1 4.19Å; Y393-L405 HydrophobicContact CE1-CB 4.46Å; A394-L405 HydrophobicContact CB-CD1 3.58Å; A394-L405 HydrophobicContact CB-CD2 4.02Å; A394-L405 HydrophobicContact CB-CG 4.47Å; L405-G407 VanDerWaalsContact C-N 3.34Å; L405-G407 PolarHBondContact O-N 2.98Å; L405-L408 PolarHBondContact O-N 2.81Å; L405-V409 HydrophobicContact CD1-CG2 4.46Å; L405-V409 WeakPolarHBondContact O-CG2 3.43Å; L405-V409 PolarHBondContact O-N 3.4Å; L405-V425 HydrophobicContact CD1-CG1 3.54Å; L405-V425 HydrophobicContact CG-CG1 4.32Å; L405-Y426 HydrophobicContact CD2-CD1 4.19Å; L405-Y426 HydrophobicContact CD2-CE1 3.89Å; L405-Y426 HydrophobicContact CG-CE1 4.29Å
406R97Very high96Very high197 Ų19765 Ų6574%0.74334%0.342SS*.Hα-helixtrans-62.4-41.1177.1-67.9-177.7-177.9177.11.4111.7D404 N410D404-R406 PolarHBondContact O-N 3.3Å; R406-N410 WeakPolarHBondContact O-CB 3.47Å; R406-N410 PolarHBondContact O-N 2.9Å; R406-N410 PolarHBondContact O-ND2 3.24Å; R406-N410 VanDerWaalsContact O-ND2 3.17Å
407G97.9Very high96.2Very high17 Ų1763.2 Ų63.218%0.17534%0.336CS..Hα-helixtrans-62-45.1175.600000112D404 L405 N410 L411D404-G407 PolarHBondContact O-N 2.97Å; D404-G407 WeakPolarHBondContact OD1-CA 3.01Å; D404-G407 PolarHBondContact OD1-N 2.68Å; L405-G407 VanDerWaalsContact C-N 3.34Å; L405-G407 PolarHBondContact O-N 2.98Å; G407-N410 WeakPolarHBondContact O-CB 3.47Å; G407-N410 PolarHBondContact O-N 3.48Å; G407-L411 WeakPolarHBondContact O-CG 3.29Å; G407-L411 PolarHBondContact O-N 3.09Å
408L98.5Very high96.3Very high0 Ų065.5 Ų65.50%035%0.351CS..Hα-helixtrans-64.4-43.9177-66.1-179.7000112.9L369 I372 R373 L376 V390 Y393 D404 L405 N410 L411 L412L369-L408 HydrophobicContact CD1-CD1 3.97Å; L369-L408 HydrophobicContact CD1-CD2 3.88Å; L369-L408 HydrophobicContact CD1-CG 3.97Å; I372-L408 HydrophobicContact CB-CD2 4.36Å; I372-L408 HydrophobicContact CD1-CD1 4.19Å; I372-L408 HydrophobicContact CG2-CD1 4.05Å; I372-L408 HydrophobicContact CG2-CD2 3.6Å; I372-L408 HydrophobicContact CG2-CG 4.41Å; R373-L408 HydrophobicContact CG-CD2 4.05Å; L376-L408 HydrophobicContact CD2-CD2 4.41Å; V390-L408 HydrophobicContact CG1-CB 3.8Å; V390-L408 HydrophobicContact CG1-CD1 4.41Å; V390-L408 HydrophobicContact CG2-CB 4.09Å; Y393-L408 HydrophobicContact CD1-CD1 3.47Å; Y393-L408 VanDerWaalsContact CD1-CD1 3.47Å; Y393-L408 HydrophobicContact CD2-CD1 4.05Å; Y393-L408 HydrophobicContact CE1-CD1 3.67Å; Y393-L408 HydrophobicContact CE2-CD1 4.22Å; Y393-L408 HydrophobicContact CG-CD1 3.67Å; D404-L408 PolarHBondContact O-N 2.83Å; L405-L408 PolarHBondContact O-N 2.81Å; L408-N410 VanDerWaalsContact C-N 3.28Å; L408-N410 PolarHBondContact O-N 3.07Å; L408-L411 HydrophobicContact CD2-CD1 4.26Å; L408-L411 WeakPolarHBondContact O-CB 3.46Å; L408-L411 PolarHBondContact O-N 3.24Å; L408-L411 VanDerWaalsContact O-N 3.08Å; L408-L412 PolarHBondContact O-N 2.9Å
409V98.5Very high96.5Very high1 Ų166.4 Ų66.41%0.00636%0.356CS..Hα-helixtrans-61.5-38.6174.31700000111.3V390 L405 L411 L412 R413 Y422 V425 Y426V390-V409 HydrophobicContact CG1-CG2 4.47Å; L405-V409 HydrophobicContact CD1-CG2 4.46Å; L405-V409 WeakPolarHBondContact O-CG2 3.43Å; L405-V409 PolarHBondContact O-N 3.4Å; V409-L411 VanDerWaalsContact C-N 3.32Å; V409-L411 PolarHBondContact O-N 3.15Å; V409-L412 PolarHBondContact O-N 3.43Å; V409-R413 PolarHBondContact O-N 2.97Å; V409-Y422 HydrophobicContact CG1-CD2 4.1Å; V409-V425 HydrophobicContact CG2-CB 4.08Å; V409-V425 HydrophobicContact CG2-CG1 3.77Å; V409-V425 HydrophobicContact CG2-CG2 4.4Å; V409-Y426 HydrophobicContact CG1-CE2 4.1Å; V409-Y426 HydrophobicContact CG2-CE2 4.06Å
410N98.1Very high96.7Very high69 Ų6966.1 Ų66.137%0.36934%0.342SS..Hα-helixtrans-65.9-33.7174.6-72.6-26.8000112.3R406 G407 L408 R413 K414R406-N410 WeakPolarHBondContact O-CB 3.47Å; R406-N410 PolarHBondContact O-N 2.9Å; R406-N410 PolarHBondContact O-ND2 3.24Å; R406-N410 VanDerWaalsContact O-ND2 3.17Å; G407-N410 WeakPolarHBondContact O-CB 3.47Å; G407-N410 PolarHBondContact O-N 3.48Å; L408-N410 VanDerWaalsContact C-N 3.28Å; L408-N410 PolarHBondContact O-N 3.07Å; N410-R413 PolarHBondContact O-N 3.21Å; N410-R413 PolarHBondContact OD1-NH1 3.23Å; N410-K414 WeakPolarHBondContact O-CG 3.42Å; N410-K414 PolarHBondContact O-N 3.41Å
411L98.1Very high96.9Very high39 Ų3964.4 Ų64.420%0.20433%0.333CS..Hα-helixtrans-66.8-42.9173.2-72.5172.9000111.7R373 L376 G407 L408 V409 R413 K414 R415R373-L411 HydrophobicContact CG-CD1 3.9Å; L376-L411 HydrophobicContact CD2-CB 3.96Å; L376-L411 HydrophobicContact CD2-CD1 4.46Å; G407-L411 WeakPolarHBondContact O-CG 3.29Å; G407-L411 PolarHBondContact O-N 3.09Å; L408-L411 HydrophobicContact CD2-CD1 4.26Å; L408-L411 WeakPolarHBondContact O-CB 3.46Å; L408-L411 PolarHBondContact O-N 3.24Å; L408-L411 VanDerWaalsContact O-N 3.08Å; V409-L411 VanDerWaalsContact C-N 3.32Å; V409-L411 PolarHBondContact O-N 3.15Å; L411-R413 VanDerWaalsContact C-N 3.31Å; L411-R413 PolarHBondContact O-N 3.24Å; L411-K414 PolarHBondContact O-N 2.93Å; L411-R415 WeakPolarHBondContact O-CB 3.29Å; L411-R415 PolarHBondContact O-N 3.07Å
412L98.4Very high97.1Very high0 Ų059.3 Ų59.30%030%0.297CS..Hα-helixtrans-57.3-45.6172.7-65.6177.1000111.2L376 A386 V390 L408 V409 K414 R415 G416 V417 V425L376-L412 HydrophobicContact CD2-CD2 4.04Å; L376-L412 HydrophobicContact CD2-CG 4.37Å; L376-L412 HydrophobicContact CG-CD2 4.12Å; A386-L412 HydrophobicContact CB-CD2 3.78Å; V390-L412 HydrophobicContact CB-CD1 3.97Å; V390-L412 HydrophobicContact CG1-CD1 4.18Å; V390-L412 HydrophobicContact CG2-CD1 3.88Å; V390-L412 HydrophobicContact CG2-CD2 4.13Å; V390-L412 HydrophobicContact CG2-CG 4.05Å; L408-L412 PolarHBondContact O-N 2.9Å; V409-L412 PolarHBondContact O-N 3.43Å; L412-K414 PolarHBondContact O-N 3.27Å; L412-R415 WeakPolarHBondContact O-CB 3.25Å; L412-R415 PolarHBondContact O-N 3.35Å; L412-G416 PolarHBondContact O-N 2.9Å; L412-V417 HydrophobicContact CB-CB 4.19Å; L412-V417 HydrophobicContact CB-CG2 4.17Å; L412-V417 HydrophobicContact CD2-CG2 4.06Å; L412-V417 WeakPolarHBondContact O-CB 2.96Å; L412-V417 WeakPolarHBondContact O-CG2 3.21Å; L412-V417 PolarHBondContact O-N 3.33Å; L412-V417 VanDerWaalsContact O-N 3.15Å; L412-V425 HydrophobicContact CD1-CG2 3.99Å
413R97.8Very high97.1Very high121 Ų12162.1 Ų62.146%0.45730%0.296SS..Hα-helixtrans-59.9-44.7176.4-170.3-174.6-61119.65.9111.9V409 N410 L411 R415 G416 Y422V409-R413 PolarHBondContact O-N 2.97Å; N410-R413 PolarHBondContact O-N 3.21Å; N410-R413 PolarHBondContact OD1-NH1 3.23Å; L411-R413 VanDerWaalsContact C-N 3.31Å; L411-R413 PolarHBondContact O-N 3.24Å; R413-R415 VanDerWaalsContact C-N 3.32Å; R413-R415 PolarHBondContact O-N 2.84Å; R413-G416 PolarHBondContact O-N 2.93Å; R413-G416 VanDerWaalsContact O-N 3.15Å; R413-Y422 HydrophobicContact CB-CD1 4.29Å; R413-Y422 HydrophobicContact CB-CE1 4.12Å; R413-Y422 HydrophobicContact CG-CE1 3.96Å
414K97.4Very high97.3Very high177 Ų17760.1 Ų60.177%0.7728%0.281SS*.Hα-helixtrans-65.3-33.4178.3-76177.3180-176.40112.9N410 L411 L412 G416N410-K414 WeakPolarHBondContact O-CG 3.42Å; N410-K414 PolarHBondContact O-N 3.41Å; L411-K414 PolarHBondContact O-N 2.93Å; L412-K414 PolarHBondContact O-N 3.27Å; K414-G416 PolarHBondContact O-N 3.37Å
415R96Very high97.3Very high77 Ų7758 Ų5829%0.29127%0.27SS..Hα-helixtrans-65.9-20.8174.4-176.2178-178.3876.8112.6L376 H378 T381 D383 L411 L412 R413 V417L376-R415 PolarHBondContact O-NH1 3.49Å; H378-R415 PolarHBondContact O-NH1 2.85Å; H378-R415 PolarHBondContact O-NH2 3.39Å; H378-R415 VanDerWaalsContact O-NH2 3.11Å; T381-R415 PolarHBondContact O-NH2 3.07Å; D383-R415 IonicContact OD1-NE 3.56Å; D383-R415 PolarHBondContact OD1-NE 3.46Å; L411-R415 WeakPolarHBondContact O-CB 3.29Å; L411-R415 PolarHBondContact O-N 3.07Å; L412-R415 WeakPolarHBondContact O-CB 3.25Å; L412-R415 PolarHBondContact O-N 3.35Å; R413-R415 VanDerWaalsContact C-N 3.32Å; R413-R415 PolarHBondContact O-N 2.84Å; R415-V417 HydrophobicContact CB-CG2 4.32Å; R415-V417 HydrophobicContact CG-CG2 4.38Å
416G96.9Very high97.3Very high52 Ų5261.5 Ų61.554%0.53628%0.282SS..THydrogen-bonded Turntrans93.613.1-17600000113.8L412 R413 K414L412-G416 PolarHBondContact O-N 2.9Å; R413-G416 PolarHBondContact O-N 2.93Å; R413-G416 VanDerWaalsContact O-N 3.15Å; K414-G416 PolarHBondContact O-N 3.37Å
417V97.9Very high97.4Very high5 Ų553.6 Ų53.63%0.0325%0.254CS..  trans-57131.3174.9175.20000109.2D383 L412 R415 Y421 Y422D383-V417 HydrophobicContact CB-CG2 4.03Å; L412-V417 HydrophobicContact CB-CB 4.19Å; L412-V417 HydrophobicContact CB-CG2 4.17Å; L412-V417 HydrophobicContact CD2-CG2 4.06Å; L412-V417 WeakPolarHBondContact O-CB 2.96Å; L412-V417 WeakPolarHBondContact O-CG2 3.21Å; L412-V417 PolarHBondContact O-N 3.33Å; L412-V417 VanDerWaalsContact O-N 3.15Å; R415-V417 HydrophobicContact CB-CG2 4.32Å; R415-V417 HydrophobicContact CG-CG2 4.38Å; V417-Y421 HydrophobicContact CG1-CD2 4.48Å; V417-Y422 WeakPolarHBondContact O-CD1 3.43Å
418P97Very high97.3Very high57 Ų5752.9 Ų52.937%0.3725%0.246SC..  trans-52.6142.6179.1-28.933.4000113.2K420 Y421 Y422P418-K420 VanDerWaalsContact C-N 3.27Å; P418-K420 HydrophobicContact CB-CG 4.39Å; P418-K420 PolarHBondContact O-N 2.86Å; P418-K420 VanDerWaalsContact O-N 3.16Å; P418-Y421 HydrophobicContact CB-CD2 3.9Å; P418-Y421 HydrophobicContact CB-CE2 4.39Å; P418-Y421 HydrophobicContact CG-CD2 3.96Å; P418-Y421 HydrophobicContact CG-CE2 4.22Å; P418-Y421 PolarHBondContact O-N 3.29Å; P418-Y422 PolarHBondContact O-N 2.84Å
419E96.5Very high97.2Very high93 Ų9354.1 Ų54.144%0.43525%0.254SS..Hα-helixtrans-54.9-39.7-173.8174.2162.2-140.300114.8Y421 Y422 R423E419-Y421 PolarHBondContact O-N 3.44Å; E419-Y422 HydrophobicContact CB-CE1 3.89Å; E419-Y422 HydrophobicContact CB-CE2 4.42Å; E419-Y422 WeakPolarHBondContact CB-OH 3.31Å; E419-Y422 HydrophobicContact CG-CE1 4.32Å; E419-Y422 HydrophobicContact CG-CE2 3.96Å; E419-Y422 VanDerWaalsContact CG-OH 3.3Å; E419-Y422 WeakPolarHBondContact CG-OH 3.46Å; E419-Y422 PolarHBondContact O-N 2.85Å; E419-Y422 PolarHBondContact OE1-OH 2.97Å; E419-R423 VanDerWaalsContact CD-NH2 3.33Å; E419-R423 HydrophobicContact CG-CG 4.08Å; E419-R423 VanDerWaalsContact CG-NE 3.33Å; E419-R423 WeakPolarHBondContact O-CB 3.18Å; E419-R423 WeakPolarHBondContact O-CG 3.27Å; E419-R423 PolarHBondContact O-N 2.79Å; E419-R423 IonicContact OE1-CZ 3.18Å; E419-R423 IonicContact OE1-NE 2.73Å; E419-R423 PolarHBondContact OE1-NE 3.43Å; E419-R423 IonicContact OE1-NH2 2.82Å; E419-R423 PolarHBondContact OE1-NH2 2.69Å; E419-R423 IonicContact OE2-NH2 3.94Å
420K96.1Very high97.1Very high92 Ų9257.6 Ų57.640%0.427%0.27SS..Hα-helixtrans-55.9-34.6176.765.8170-171.3155.20112.9P418 A424 E546 I549P418-K420 VanDerWaalsContact C-N 3.27Å; P418-K420 HydrophobicContact CB-CG 4.39Å; P418-K420 PolarHBondContact O-N 2.86Å; P418-K420 VanDerWaalsContact O-N 3.16Å; K420-A424 VanDerWaalsContact O-CB 3.31Å; K420-A424 WeakPolarHBondContact O-CB 3.21Å; K420-A424 PolarHBondContact O-N 3.22Å; K420-A424 VanDerWaalsContact O-N 3.1Å; K420-E546 IonicContact NZ-OE1 2.62Å; K420-E546 PolarHBondContact NZ-OE1 3.32Å; K420-E546 IonicContact NZ-OE2 2.87Å; K420-E546 PolarHBondContact NZ-OE2 3.02Å; K420-I549 HydrophobicContact CB-CD1 4.39Å
421Y97.5Very high97Very high27 Ų2754.3 Ų54.311%0.10625%0.253CS..Hα-helixtrans-82.9-42.1-175.2-68.3-48.9000112.9T387 V417 P418 E419 R423 A424 I545 E546 I549T387-Y421 WeakPolarHBondContact CG2-O 3.47Å; V417-Y421 HydrophobicContact CG1-CD2 4.48Å; P418-Y421 HydrophobicContact CB-CD2 3.9Å; P418-Y421 HydrophobicContact CB-CE2 4.39Å; P418-Y421 HydrophobicContact CG-CD2 3.96Å; P418-Y421 HydrophobicContact CG-CE2 4.22Å; P418-Y421 PolarHBondContact O-N 3.29Å; E419-Y421 PolarHBondContact O-N 3.44Å; Y421-R423 VanDerWaalsContact C-N 3.29Å; Y421-R423 PolarHBondContact O-N 3.09Å; Y421-A424 WeakPolarHBondContact O-CB 3.3Å; Y421-A424 PolarHBondContact O-N 3.25Å; Y421-I545 HydrophobicContact CD1-CG2 3.78Å; Y421-I545 HydrophobicContact CE1-CG2 4Å; Y421-E546 WeakPolarHBondContact CE1-OE1 3.3Å; Y421-E546 PolarHBondContact OH-OE1 2.62Å; Y421-I549 HydrophobicContact CD1-CD1 4.26Å
422Y95.9Very high96.8Very high25 Ų2552.5 Ų52.510%0.09824%0.243CC..Hα-helixtrans-73.3-23.817669.4-116.3000112.5V409 R413 V417 P418 E419 V425V409-Y422 HydrophobicContact CG1-CD2 4.1Å; R413-Y422 HydrophobicContact CB-CD1 4.29Å; R413-Y422 HydrophobicContact CB-CE1 4.12Å; R413-Y422 HydrophobicContact CG-CE1 3.96Å; V417-Y422 WeakPolarHBondContact O-CD1 3.43Å; P418-Y422 PolarHBondContact O-N 2.84Å; E419-Y422 HydrophobicContact CB-CE1 3.89Å; E419-Y422 HydrophobicContact CB-CE2 4.42Å; E419-Y422 WeakPolarHBondContact CB-OH 3.31Å; E419-Y422 HydrophobicContact CG-CE1 4.32Å; E419-Y422 HydrophobicContact CG-CE2 3.96Å; E419-Y422 VanDerWaalsContact CG-OH 3.3Å; E419-Y422 WeakPolarHBondContact CG-OH 3.46Å; E419-Y422 PolarHBondContact O-N 2.85Å; E419-Y422 PolarHBondContact OE1-OH 2.97Å; Y422-V425 WeakPolarHBondContact O-CB 3.42Å
423R95.8Very high96.5Very high139 Ų13952.5 Ų52.553%0.52524%0.243SC..Hα-helixtrans-70.8-36.6168.1-72.9-176.2-179.1-167.60.7111.5E419 Y421 V425 Y426 D427E419-R423 VanDerWaalsContact CD-NH2 3.33Å; E419-R423 HydrophobicContact CG-CG 4.08Å; E419-R423 VanDerWaalsContact CG-NE 3.33Å; E419-R423 WeakPolarHBondContact O-CB 3.18Å; E419-R423 WeakPolarHBondContact O-CG 3.27Å; E419-R423 PolarHBondContact O-N 2.79Å; E419-R423 IonicContact OE1-CZ 3.18Å; E419-R423 IonicContact OE1-NE 2.73Å; E419-R423 PolarHBondContact OE1-NE 3.43Å; E419-R423 IonicContact OE1-NH2 2.82Å; E419-R423 PolarHBondContact OE1-NH2 2.69Å; E419-R423 IonicContact OE2-NH2 3.94Å; Y421-R423 VanDerWaalsContact C-N 3.29Å; Y421-R423 PolarHBondContact O-N 3.09Å; R423-V425 PolarHBondContact O-N 2.72Å; R423-Y426 PolarHBondContact O-N 2.83Å; R423-D427 PolarHBondContact O-N 3.01Å
424A97.1Very high96.1Very high0 Ų050 Ų500%024%0.239CC..Hα-helixtrans-57.5-21.2177.400000114.2M391 K420 Y421 Y426 D427 V428 I545 I549M391-A424 HydrophobicContact CE-CB 3.24Å; M391-A424 WeakPolarHBondContact CE-O 3.37Å; K420-A424 VanDerWaalsContact O-CB 3.31Å; K420-A424 WeakPolarHBondContact O-CB 3.21Å; K420-A424 PolarHBondContact O-N 3.22Å; K420-A424 VanDerWaalsContact O-N 3.1Å; Y421-A424 WeakPolarHBondContact O-CB 3.3Å; Y421-A424 PolarHBondContact O-N 3.25Å; A424-Y426 VanDerWaalsContact C-N 3.28Å; A424-Y426 PolarHBondContact O-N 3.24Å; A424-D427 VanDerWaalsContact CA-OD2 3.27Å; A424-D427 WeakPolarHBondContact CA-OD2 3.49Å; A424-D427 PolarHBondContact N-OD2 3.23Å; A424-D427 PolarHBondContact O-N 2.89Å; A424-V428 PolarHBondContact O-N 3.4Å; A424-I545 HydrophobicContact CB-CG2 4.23Å; A424-I549 HydrophobicContact CB-CD1 3.87Å; A424-I549 HydrophobicContact CB-CG1 3.55Å
425V98.2Very high95.5Very high0 Ų047.8 Ų47.80%023%0.229CC..Hα-helixtrans-59-37.3171.3173.70000112.5V390 M391 A394 L405 V409 L412 Y422 R423 V428V390-V425 HydrophobicContact CB-CG2 4.2Å; V390-V425 HydrophobicContact CG1-CB 4.48Å; V390-V425 HydrophobicContact CG1-CG1 3.72Å; V390-V425 HydrophobicContact CG1-CG2 3.89Å; M391-V425 HydrophobicContact CG-CG2 4.13Å; A394-V425 HydrophobicContact CB-CG1 4Å; L405-V425 HydrophobicContact CD1-CG1 3.54Å; L405-V425 HydrophobicContact CG-CG1 4.32Å; V409-V425 HydrophobicContact CG2-CB 4.08Å; V409-V425 HydrophobicContact CG2-CG1 3.77Å; V409-V425 HydrophobicContact CG2-CG2 4.4Å; L412-V425 HydrophobicContact CD1-CG2 3.99Å; Y422-V425 WeakPolarHBondContact O-CB 3.42Å; R423-V425 PolarHBondContact O-N 2.72Å; V425-V428 WeakPolarHBondContact O-CG1 3.38Å
426Y97.6Very high95Very high104 Ų10445.7 Ų45.741%0.40822%0.221SC..Hα-helixtrans-80.1-37.8173.8-61.2-71000110.9L405 V409 R423 A424 V428 V429 E430L405-Y426 HydrophobicContact CD2-CD1 4.19Å; L405-Y426 HydrophobicContact CD2-CE1 3.89Å; L405-Y426 HydrophobicContact CG-CE1 4.29Å; V409-Y426 HydrophobicContact CG1-CE2 4.1Å; V409-Y426 HydrophobicContact CG2-CE2 4.06Å; R423-Y426 PolarHBondContact O-N 2.83Å; A424-Y426 VanDerWaalsContact C-N 3.28Å; A424-Y426 PolarHBondContact O-N 3.24Å; Y426-V428 VanDerWaalsContact C-N 3.28Å; Y426-V428 PolarHBondContact O-N 2.89Å; Y426-V429 PolarHBondContact O-N 2.64Å; Y426-E430 PolarHBondContact O-N 2.92Å; Y426-E430 VanDerWaalsContact O-N 3.11Å
427D97.5Very high94Very high31 Ų3144.2 Ų44.217%0.16620%0.199CC..Hα-helixtrans-58.4-39.9178.8-62.8-43.3000111.7R423 A424 V429 E430 F431 V548 T552R423-D427 PolarHBondContact O-N 3.01Å; A424-D427 VanDerWaalsContact CA-OD2 3.27Å; A424-D427 WeakPolarHBondContact CA-OD2 3.49Å; A424-D427 PolarHBondContact N-OD2 3.23Å; A424-D427 PolarHBondContact O-N 2.89Å; D427-V429 VanDerWaalsContact C-N 3.33Å; D427-V429 PolarHBondContact O-N 2.91Å; D427-E430 PolarHBondContact O-N 3.49Å; D427-F431 WeakPolarHBondContact O-CB 3.32Å; D427-F431 PolarHBondContact O-N 3Å; D427-V548 HydrophobicContact CB-CG1 3.72Å; D427-T552 HydrophobicContact CB-CG2 3.68Å; D427-T552 WeakPolarHBondContact CB-OG1 3.32Å; D427-T552 WeakPolarHBondContact OD1-CB 3.48Å; D427-T552 PolarHBondContact OD1-OG1 3.47Å
428V97.5Very high92.2Very high1 Ų147.8 Ų47.81%0.00624%0.238CC..Hα-helixtrans-67-33.2-179.477.40000112.7A225 L229 M391 L395 A424 V425 Y426 G432 F544 V548A225-V428 HydrophobicContact CB-CG2 4.35Å; L229-V428 HydrophobicContact CD1-CG2 4.29Å; M391-V428 HydrophobicContact CB-CG1 3.92Å; M391-V428 HydrophobicContact CG-CB 4.44Å; M391-V428 HydrophobicContact CG-CG1 3.81Å; L395-V428 HydrophobicContact CD1-CG2 4.01Å; L395-V428 HydrophobicContact CD2-CG1 4.42Å; L395-V428 HydrophobicContact CD2-CG2 4.35Å; L395-V428 HydrophobicContact CG-CG1 4.22Å; L395-V428 HydrophobicContact CG-CG2 4.39Å; A424-V428 PolarHBondContact O-N 3.4Å; V425-V428 WeakPolarHBondContact O-CG1 3.38Å; Y426-V428 VanDerWaalsContact C-N 3.28Å; Y426-V428 PolarHBondContact O-N 2.89Å; V428-G432 PolarHBondContact O-N 2.91Å; V428-F544 HydrophobicContact CG2-CE1 4.33Å; V428-V548 HydrophobicContact CB-CG1 4.05Å; V428-V548 HydrophobicContact CG2-CG1 4.47Å; V428-V548 HydrophobicContact CG2-CG2 4.38Å
429V96.2Very high90Very high27 Ų2747.3 Ų47.316%0.16423%0.231CC..Hα-helixtrans-70-42.81751780000109.9A394 E398 Y426 D427 F431 G433A394-V429 HydrophobicContact CB-CG2 3.61Å; E398-V429 VanDerWaalsContact CD-CG1 3.49Å; E398-V429 HydrophobicContact CG-CG1 3.75Å; Y426-V429 PolarHBondContact O-N 2.64Å; D427-V429 VanDerWaalsContact C-N 3.33Å; D427-V429 PolarHBondContact O-N 2.91Å; V429-F431 VanDerWaalsContact C-N 3.31Å; V429-F431 PolarHBondContact O-N 3.18Å; V429-G433 VanDerWaalsContact O-CA 3.27Å; V429-G433 WeakPolarHBondContact O-CA 3.25Å; V429-G433 PolarHBondContact O-N 3.35Å
430E95.2Very high87.8Confident74 Ų7445.7 Ų45.735%0.34623%0.225SC..Hα-helixtrans-64.4-38.5176.4-163.3-180176.600111.9L149 Y426 D427 K435L149-E430 HydrophobicContact CD1-CG 3.67Å; L149-E430 VanDerWaalsContact CD1-OE1 3.31Å; L149-E430 WeakPolarHBondContact CD1-OE1 3.43Å; Y426-E430 PolarHBondContact O-N 2.92Å; Y426-E430 VanDerWaalsContact O-N 3.11Å; D427-E430 PolarHBondContact O-N 3.49Å; E430-K435 WeakPolarHBondContact O-CE 3.29Å; E430-K435 PolarHBondContact O-NZ 2.96Å
431F95.9Very high85.4Confident0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-69-54.7178.6-178.9-96.6000112.4Y146 L149 R221 R222 D427 V429 W436 F544 V548 A551Y146-F431 HydrophobicContact CD1-CE2 4.15Å; Y146-F431 AromaticContact CD2-CE2 3.8Å; Y146-F431 HydrophobicContact CD2-CE2 3.8Å; Y146-F431 HydrophobicContact CD2-CZ 4.28Å; Y146-F431 AromaticContact CE1-CE2 3.95Å; Y146-F431 HydrophobicContact CE1-CE2 3.95Å; Y146-F431 HydrophobicContact CE1-CZ 4.34Å; Y146-F431 AromaticContact CE2-CE2 3.61Å; Y146-F431 HydrophobicContact CE2-CE2 3.61Å; Y146-F431 AromaticContact CE2-CZ 3.65Å; Y146-F431 HydrophobicContact CE2-CZ 3.65Å; Y146-F431 HydrophobicContact CG-CE2 4.09Å; Y146-F431 AromaticContact CZ-CE2 3.69Å; Y146-F431 AromaticContact CZ-CZ 3.69Å; L149-F431 HydrophobicContact CD2-CB 4.42Å; L149-F431 HydrophobicContact CD2-CD2 4.11Å; R221-F431 HydrophobicContact CG-CE1 4.31Å; R221-F431 HydrophobicContact CG-CZ 4.46Å; R222-F431 HydrophobicContact CB-CE1 4.46Å; R222-F431 WeakPolarHBondContact CB-O 3.16Å; R222-F431 WeakPolarHBondContact CD-O 3.29Å; R222-F431 HydrophobicContact CG-CD1 3.9Å; R222-F431 HydrophobicContact CG-CD2 4.07Å; R222-F431 HydrophobicContact CG-CE1 3.6Å; R222-F431 HydrophobicContact CG-CE2 3.79Å; R222-F431 HydrophobicContact CG-CG 4.12Å; R222-F431 HydrophobicContact CG-CZ 3.55Å; R222-F431 WeakPolarHBondContact CG-O 3.43Å; D427-F431 WeakPolarHBondContact O-CB 3.32Å; D427-F431 PolarHBondContact O-N 3Å; V429-F431 VanDerWaalsContact C-N 3.31Å; V429-F431 PolarHBondContact O-N 3.18Å; F431-W436 PolarHBondContact O-NE1 2.86Å; F431-F544 HydrophobicContact CD1-CZ 4.31Å; F431-F544 AromaticContact CE1-CE2 3.89Å; F431-F544 HydrophobicContact CE1-CE2 3.89Å; F431-F544 HydrophobicContact CE1-CZ 4.03Å; F431-V548 HydrophobicContact CB-CG1 4.2Å; F431-V548 HydrophobicContact CB-CG2 4.48Å; F431-V548 HydrophobicContact CD1-CG2 3.86Å; F431-V548 HydrophobicContact CE1-CG2 4.22Å; F431-V548 HydrophobicContact CG-CG2 4.07Å; F431-A551 HydrophobicContact CD2-CB 3.71Å; F431-A551 HydrophobicContact CE2-CB 3.8Å
432G94.5Very high83Confident0 Ų043.5 Ų43.50%022%0.224CC..Hα-helixtrans-137.726-16700000115.5V428V428-G432 PolarHBondContact O-N 2.91Å
433G92.4Very high80.5Confident0 Ų046 Ų460%025%0.25CS..SBendtrans-66-168.3176.200000114.8E398 V429 K435 W436E398-G433 WeakPolarHBondContact OE2-CA 3.37Å; V429-G433 VanDerWaalsContact O-CA 3.27Å; V429-G433 WeakPolarHBondContact O-CA 3.25Å; V429-G433 PolarHBondContact O-N 3.35Å; G433-K435 PolarHBondContact O-N 3.44Å; G433-K435 VanDerWaalsContact O-N 3.09Å; G433-W436 PolarHBondContact O-N 3.34Å
434L88.3Confident77.7Confident69 Ų6944.8 Ų44.836%0.36125%0.254SS..THydrogen-bonded Turntrans-51.1-36.9-173.5-75.9170.9000113.8E398 W436 R437E398-L434 HydrophobicContact CB-CD1 4.03Å; E398-L434 HydrophobicContact CB-CG 4.28Å; E398-L434 HydrophobicContact CG-CD1 4.3Å; E398-L434 WeakPolarHBondContact OE2-CG 3.34Å; E398-L434 PolarHBondContact OE2-N 3.43Å; L434-W436 PolarHBondContact O-N 2.84Å; L434-W436 VanDerWaalsContact O-N 3.12Å; L434-R437 VanDerWaalsContact CD2-NH2 3.3Å; L434-R437 PolarHBondContact O-N 3.4Å
435K86.4Confident75.1Confident131 Ų13148 Ų4857%0.5727%0.27SS*.THydrogen-bonded Turntrans-58.1-25.3178.663.1175.8167.7169.40114.3E430 G433E430-K435 WeakPolarHBondContact O-CE 3.29Å; E430-K435 PolarHBondContact O-NZ 2.96Å; G433-K435 PolarHBondContact O-N 3.44Å; G433-K435 VanDerWaalsContact O-N 3.09Å
436W85.4Confident72.3Confident33 Ų3351.8 Ų51.813%0.12529%0.291CS..THydrogen-bonded Turntrans-98.8-25.5-177.5-68.1107.3000113.3S181 R222 F431 G433 L434 G438S181-W436 WeakPolarHBondContact O-CZ3 3.29Å; R222-W436 HydrophobicContact CB-CB 4.1Å; R222-W436 HydrophobicContact CB-CD2 3.7Å; R222-W436 HydrophobicContact CB-CE3 3.88Å; R222-W436 HydrophobicContact CB-CG 3.78Å; R222-W436 HydrophobicContact CG-CD2 4.46Å; R222-W436 WeakPolarHBondContact O-CB 3.42Å; F431-W436 PolarHBondContact O-NE1 2.86Å; G433-W436 PolarHBondContact O-N 3.34Å; L434-W436 PolarHBondContact O-N 2.84Å; L434-W436 VanDerWaalsContact O-N 3.12Å; W436-G438 VanDerWaalsContact C-N 3.3Å; W436-G438 PolarHBondContact O-N 3.4Å
437R75Confident69.6Low20 Ų2051.1 Ų51.18%0.07530%0.3CS..  trans-81.676.6179.7-65-179.3-69.1174.5-2.9109.1L395 E398 L434 I439L395-R437 VanDerWaalsContact O-CZ 3.26Å; L395-R437 PolarHBondContact O-NH1 2.94Å; L395-R437 PolarHBondContact O-NH2 3.23Å; E398-R437 IonicContact OE2-NH2 2.61Å; L434-R437 VanDerWaalsContact CD2-NH2 3.3Å; L434-R437 PolarHBondContact O-N 3.4Å; R437-I439 PolarHBondContact O-N 3Å
438G60.2Low66.9Low81 Ų8154.6 Ų54.684%0.83532%0.317SS*.SBendtrans-65.1-16-179.900000114.2W436W436-G438 VanDerWaalsContact C-N 3.3Å; W436-G438 PolarHBondContact O-N 3.4Å
439I51.8Low64.2Low46 Ų4659.3 Ų59.324%0.23634%0.337CS..SBendtrans-116109.6165.3-56.1169.5000103.5R437 P441 L475R437-I439 PolarHBondContact O-N 3Å; I439-P441 WeakPolarHBondContact O-CD 3.41Å; I439-L475 HydrophobicContact CD1-CD2 3.76Å
440D48.2Very low61.6Low59 Ų5960.4 Ų60.432%0.31634%0.342SS..  trans-67.4113164-177.2-17.3000105.2S442 A443D440-S442 PolarHBondContact O-N 3.17Å; D440-S442 PolarHBondContact OD1-N 2.75Å; D440-S442 PolarHBondContact OD1-OG 3.43Å; D440-A443 HydrophobicContact CB-CB 3.57Å; D440-A443 PolarHBondContact O-N 3.41Å; D440-A443 PolarHBondContact OD1-N 2.99Å
441P45.8Very low58.8Low56 Ų5660.5 Ų60.536%0.36435%0.348SS..THydrogen-bonded Turntrans-56.4-13.6-178.2-21.133.1000112.3I439 V471I439-P441 WeakPolarHBondContact O-CD 3.41Å; P441-V471 HydrophobicContact CG-CG2 4.01Å
442S47.1Very low55.9Low17 Ų1767.3 Ų67.312%0.11938%0.377CS..THydrogen-bonded Turntrans-120-12.2-174.9750000116.8R396 D440 D444 I445R396-S442 PolarHBondContact NH1-OG 2.76Å; R396-S442 PolarHBondContact NH2-OG 3.3Å; D440-S442 PolarHBondContact O-N 3.17Å; D440-S442 PolarHBondContact OD1-N 2.75Å; D440-S442 PolarHBondContact OD1-OG 3.43Å; S442-D444 PolarHBondContact O-N 2.8Å; S442-I445 WeakPolarHBondContact O-CB 3.24Å; S442-I445 PolarHBondContact O-N 2.71Å
443A43.3Very low53.3Low77 Ų7773.6 Ų73.664%0.63641%0.405SS*.THydrogen-bonded Turntrans-62.6-17.9-178.400000112.4D440D440-A443 HydrophobicContact CB-CB 3.57Å; D440-A443 PolarHBondContact O-N 3.41Å; D440-A443 PolarHBondContact OD1-N 2.99Å
444D37.6Very low50.4Low115 Ų11578.3 Ų78.362%0.61543%0.425SS*.THydrogen-bonded Turntrans-107.214.8177.5-122.834000113.3S442 D446 K449S442-D444 PolarHBondContact O-N 2.8Å; D444-D446 PolarHBondContact O-N 3.34Å; D444-K449 IonicContact OD2-NZ 3.77Å; D444-K449 PolarHBondContact OD2-NZ 3.14Å
445I42Very low47.8Very low66 Ų6681 Ų8134%0.33844%0.439SS..  trans-73.473.8168.3-67.6174.2000108C361 S442 P447 I450C361-I445 WeakPolarHBondContact O-CD1 3.17Å; S442-I445 WeakPolarHBondContact O-CB 3.24Å; S442-I445 PolarHBondContact O-N 2.71Å; I445-P447 WeakPolarHBondContact O-CD 3.45Å; I445-I450 HydrophobicContact CG2-CD1 3.19Å; I445-I450 HydrophobicContact CG2-CG1 3.8Å
446D39.5Very low45.7Very low80 Ų8082.4 Ų82.443%0.42845%0.447SS..  trans-58.6121.1154.4-119.7-32.3000106.5D444 I448 K449 I450D444-D446 PolarHBondContact O-N 3.34Å; D446-I448 HydrophobicContact CB-CB 4.48Å; D446-I448 PolarHBondContact O-N 3.15Å; D446-K449 HydrophobicContact CB-CB 4.02Å; D446-K449 HydrophobicContact CB-CD 4.2Å; D446-K449 HydrophobicContact CB-CG 3.86Å; D446-K449 PolarHBondContact O-N 3.41Å; D446-I450 PolarHBondContact O-N 2.95Å; D446-I450 VanDerWaalsContact O-N 3.09Å
447P42.2Very low43.4Very low91 Ų9184.8 Ų84.859%0.59146%0.462SS*.Hα-helixtrans-52.9-24.1170.3-17.124.8000111.6I445 T451I445-P447 WeakPolarHBondContact O-CD 3.45Å; P447-T451 PolarHBondContact O-N 3.07Å; P447-T451 PolarHBondContact O-OG1 3.08Å
448I41.3Very low41.3Very low104 Ų10490.2 Ų90.253%0.53349%0.492SS..Hα-helixtrans-72-36.3175.2-56.6174.6000112.4D446 T451 K452D446-I448 HydrophobicContact CB-CB 4.48Å; D446-I448 PolarHBondContact O-N 3.15Å; I448-T451 VanDerWaalsContact CA-OG1 3.24Å; I448-T451 WeakPolarHBondContact CA-OG1 3.4Å; I448-T451 PolarHBondContact O-OG1 3.42Å; I448-K452 WeakPolarHBondContact O-CB 3.4Å; I448-K452 PolarHBondContact O-N 3.45Å
449K40.1Very low40.4Very low100 Ų10096.5 Ų96.544%0.43550%0.496SS..Hα-helixtrans-72.9-35.9173.6-75.5-177.7-171.2166.10111D444 D446 K453D444-K449 IonicContact OD2-NZ 3.77Å; D444-K449 PolarHBondContact OD2-NZ 3.14Å; D446-K449 HydrophobicContact CB-CB 4.02Å; D446-K449 HydrophobicContact CB-CD 4.2Å; D446-K449 HydrophobicContact CB-CG 3.86Å; D446-K449 PolarHBondContact O-N 3.41Å; K449-K453 WeakPolarHBondContact O-CB 3.41Å; K449-K453 PolarHBondContact O-N 3.25Å
450I40.8Very low39.8Very low49 Ų4996.5 Ų96.525%0.25151%0.508SS..Hα-helixtrans-58.1-57.6168.9-75.7-173000109.1I445 D446 K452 K453 F454I445-I450 HydrophobicContact CG2-CD1 3.19Å; I445-I450 HydrophobicContact CG2-CG1 3.8Å; D446-I450 PolarHBondContact O-N 2.95Å; D446-I450 VanDerWaalsContact O-N 3.09Å; I450-K452 VanDerWaalsContact C-N 3.29Å; I450-K452 PolarHBondContact O-N 3.4Å; I450-K453 CarbonylContact O-C 3.6Å; I450-K453 PolarHBondContact O-N 3.4Å; I450-F454 HydrophobicContact CB-CD2 4.47Å; I450-F454 HydrophobicContact CG2-CD2 3.31Å; I450-F454 HydrophobicContact CG2-CE2 3.34Å; I450-F454 WeakPolarHBondContact O-CB 3.48Å; I450-F454 VanDerWaalsContact O-CD2 3.28Å; I450-F454 WeakPolarHBondContact O-CD2 3.06Å; I450-F454 PolarHBondContact O-N 3.37Å
451T36.6Very low39.6Very low77 Ų77100.8 Ų100.847%0.47254%0.536SS..Hα-helixtrans-59.4-36.1-179.3430000113.3P447 I448 F454 I455P447-T451 PolarHBondContact O-N 3.07Å; P447-T451 PolarHBondContact O-OG1 3.08Å; I448-T451 VanDerWaalsContact CA-OG1 3.24Å; I448-T451 WeakPolarHBondContact CA-OG1 3.4Å; I448-T451 PolarHBondContact O-OG1 3.42Å; T451-F454 WeakPolarHBondContact O-CB 3.49Å; T451-I455 WeakPolarHBondContact O-CD1 3.31Å; T451-I455 WeakPolarHBondContact O-CG1 3.25Å; T451-I455 PolarHBondContact O-N 3.33Å
452K35.8Very low39.9Very low143 Ų143101.9 Ų101.962%0.62254%0.536SS*.Hα-helixtrans-69.8-36.8172.9-80.4-175.7176.9177.50113.9I448 I450 I455 Q456I448-K452 WeakPolarHBondContact O-CB 3.4Å; I448-K452 PolarHBondContact O-N 3.45Å; I450-K452 VanDerWaalsContact C-N 3.29Å; I450-K452 PolarHBondContact O-N 3.4Å; K452-I455 PolarHBondContact O-N 3.2Å; K452-Q456 PolarHBondContact O-N 2.83Å; K452-Q456 VanDerWaalsContact O-N 3.16Å
453K39.2Very low41.3Very low132 Ų132104 Ų10457%0.57455%0.546SS*.Hα-helixtrans-65.7-46.7171.2-91.4-178.6171.6176.10111K449 I450 I455 Q456 D457K449-K453 WeakPolarHBondContact O-CB 3.41Å; K449-K453 PolarHBondContact O-N 3.25Å; I450-K453 CarbonylContact O-C 3.6Å; I450-K453 PolarHBondContact O-N 3.4Å; K453-I455 PolarHBondContact O-N 3.4Å; K453-Q456 PolarHBondContact O-N 3.26Å; K453-D457 WeakPolarHBondContact O-CB 3.12Å; K453-D457 PolarHBondContact O-N 3.11Å
454F31.4Very low43.2Very low99 Ų99103.7 Ų103.743%0.43453%0.533SS..Hα-helixtrans-51.3-43.5171.6-95-91.8000111.2I450 T451 L458 E462I450-F454 HydrophobicContact CB-CD2 4.47Å; I450-F454 HydrophobicContact CG2-CD2 3.31Å; I450-F454 HydrophobicContact CG2-CE2 3.34Å; I450-F454 WeakPolarHBondContact O-CB 3.48Å; I450-F454 VanDerWaalsContact O-CD2 3.28Å; I450-F454 WeakPolarHBondContact O-CD2 3.06Å; I450-F454 PolarHBondContact O-N 3.37Å; T451-F454 WeakPolarHBondContact O-CB 3.49Å; F454-L458 WeakPolarHBondContact O-CB 3.23Å; F454-L458 WeakPolarHBondContact O-CD1 3.39Å; F454-L458 WeakPolarHBondContact O-CG 3.41Å; F454-L458 PolarHBondContact O-N 3.41Å; F454-E462 WeakPolarHBondContact CE1-OE2 3.29Å; F454-E462 WeakPolarHBondContact CZ-OE2 3.34Å
455I33.3Very low45.6Very low125 Ų125100.8 Ų100.864%0.64151%0.514SS*.Hα-helixtrans-69.7-33178.9-69163.9000113.1T451 K452 K453T451-I455 WeakPolarHBondContact O-CD1 3.31Å; T451-I455 WeakPolarHBondContact O-CG1 3.25Å; T451-I455 PolarHBondContact O-N 3.33Å; K452-I455 PolarHBondContact O-N 3.2Å; K453-I455 PolarHBondContact O-N 3.4Å
456Q42.6Very low47.8Very low161 Ų161100.4 Ų100.475%0.75251%0.514SS*.Hα-helixtrans-82.9-32.2179.5-75.4-177.1-20.200113.2K452 K453K452-Q456 PolarHBondContact O-N 2.83Å; K452-Q456 VanDerWaalsContact O-N 3.16Å; K453-Q456 PolarHBondContact O-N 3.26Å
457D37.6Very low50.2Low82 Ų8299.9 Ų99.944%0.43951%0.509SS..Hα-helixtrans-91.9-4.3-175.5-70.7-24.9000113.6K453 K459 G460K453-D457 WeakPolarHBondContact O-CB 3.12Å; K453-D457 PolarHBondContact O-N 3.11Å; D457-K459 PolarHBondContact O-N 3.18Å; D457-G460 PolarHBondContact O-N 3.33Å
458L30.8Very low52.7Low135 Ų13596.4 Ų96.471%0.70749%0.485SS*.THydrogen-bonded Turntrans-60.211.1174.8-97.7166.6000116.1F454F454-L458 WeakPolarHBondContact O-CB 3.23Å; F454-L458 WeakPolarHBondContact O-CD1 3.39Å; F454-L458 WeakPolarHBondContact O-CG 3.41Å; F454-L458 PolarHBondContact O-N 3.41Å
459K41.1Very low55.2Low212 Ų21298.3 Ų98.392%0.92249%0.49SS*.THydrogen-bonded Turntrans-89.5-5.4165.6-75.6-168.6176.7-176.80113.9D457D457-K459 PolarHBondContact O-N 3.18Å
460G38.8Very low57.9Low46 Ų4693.7 Ų93.747%0.47447%0.47SS..SBendtrans-134142170.600000110.2D457 E462D457-G460 PolarHBondContact O-N 3.33Å; G460-E462 PolarHBondContact O-N 3.37Å
461V43.6Very low60.5Low150 Ų15091.8 Ų91.891%0.90946%0.461SS*.  trans-61.1109.2171.3179.60000107N463V461-N463 PolarHBondContact O-N 2.89Å; V461-N463 VanDerWaalsContact O-N 3.08Å
462E52.8Low63.4Low79 Ų7988.1 Ų88.137%0.36944%0.438SS..  trans-56.4117.9176.2-77.4-173.2169.300108.9F454 G460 I464F454-E462 WeakPolarHBondContact CE1-OE2 3.29Å; F454-E462 WeakPolarHBondContact CZ-OE2 3.34Å; G460-E462 PolarHBondContact O-N 3.37Å; E462-I464 PolarHBondContact O-N 3.23Å
463N76.2Confident66.2Low60 Ų6083 Ų8332%0.32142%0.42SS..  trans-75.5114.3177.7-176.1-9.8000108.6V461 Y465 T466V461-N463 PolarHBondContact O-N 2.89Å; V461-N463 VanDerWaalsContact O-N 3.08Å; N463-Y465 PolarHBondContact O-N 2.94Å; N463-Y465 WeakPolarHBondContact OD1-CB 3.36Å; N463-Y465 WeakPolarHBondContact OD1-CD2 3.47Å; N463-Y465 PolarHBondContact OD1-N 3.49Å; N463-T466 PolarHBondContact O-N 3.09Å
464I84.4Confident68.8Low71 Ų7181.1 Ų81.136%0.36441%0.414SS..THydrogen-bonded Turntrans-58-19-178.560.6171.8000113.4Q357 E462Q357-I464 WeakPolarHBondContact CG-O 3.39Å; E462-I464 PolarHBondContact O-N 3.23Å
465Y87.5Confident71.9Confident55 Ų5576.5 Ų76.522%0.21639%0.393CS..THydrogen-bonded Turntrans-88.6-6.3-178.9-49.6-56.6000114.2L350 Q357 N463L350-Y465 HydrophobicContact CB-CE1 4.32Å; L350-Y465 HydrophobicContact CD2-CD2 4.4Å; L350-Y465 HydrophobicContact CD2-CE1 4.07Å; L350-Y465 HydrophobicContact CD2-CE2 3.8Å; L350-Y465 WeakPolarHBondContact O-CE1 3.28Å; Q357-Y465 PolarHBondContact NE2-O 2.84Å; N463-Y465 PolarHBondContact O-N 2.94Å; N463-Y465 WeakPolarHBondContact OD1-CB 3.36Å; N463-Y465 WeakPolarHBondContact OD1-CD2 3.47Å; N463-Y465 PolarHBondContact OD1-N 3.49Å
466T88.1Confident74.9Confident57 Ų5770.5 Ų70.535%0.3536%0.363SS..SBendtrans-138.138.2-173.763.60000112.9W233 N463W233-T466 HydrophobicContact CB-CG2 3.9Å; N463-T466 PolarHBondContact O-N 3.09Å
467Q90.9Very high77.4Confident69 Ų6963.5 Ų63.532%0.32233%0.333SS..  trans-74.5-40.4180-64.3-179.521.800112.1H362H362-Q467 PolarHBondContact NE2-OE1 3.24Å
468H94Very high80.1Confident19 Ų1962.1 Ų62.19%0.08832%0.324CS..  trans-63.8136.8179166.4-84.6000110.7T227 L230 A360 C361T227-H468 PolarHBondContact OG1-CE1 3.46Å; L230-H468 HydrophobicContact CD1-CB 3.75Å; L230-H468 VanDerWaalsContact CD1-ND1 3.35Å; L230-H468 WeakPolarHBondContact CD1-ND1 3.46Å; A360-H468 HydrophobicContact CB-CB 4.05Å; C361-H468 PolarHBondContact SG-N 2.71Å
469K94Very high83Confident143 Ų14356 Ų5662%0.62229%0.292SS*.  trans-116.9133.5170.2-63.6-171.1179.6-176.60108.9
470P96.7Very high85.5Confident3 Ų348 Ų482%0.01927%0.265CS..  trans-54.7144.2176.2-25.233.5000111.5T227 L472 S473 E515 E516 A519T227-P470 HydrophobicContact CG2-CB 4.18Å; T227-P470 HydrophobicContact CG2-CG 3.97Å; T227-P470 WeakPolarHBondContact OG1-CA 3.3Å; P470-L472 HydrophobicContact CB-CB 4.44Å; P470-L472 PolarHBondContact O-N 3.44Å; P470-S473 VanDerWaalsContact O-CB 3.27Å; P470-S473 WeakPolarHBondContact O-CB 3.48Å; P470-S473 PolarHBondContact O-N 2.94Å; P470-S473 PolarHBondContact O-OG 3.19Å; P470-E515 HydrophobicContact CG-CG 3.87Å; P470-E516 HydrophobicContact CB-CG 3.8Å; P470-E516 HydrophobicContact CG-CG 4.1Å; P470-A519 HydrophobicContact CG-CB 4.35Å
471V95.4Very high88Confident10 Ų1051.2 Ų51.26%0.06127%0.267CS..Hα-helixtrans-56-29.7179.5178.30000111.1F223 D224 P441 S473 E474 L475F223-V471 HydrophobicContact CD2-CB 4.08Å; F223-V471 HydrophobicContact CD2-CG1 3.82Å; F223-V471 HydrophobicContact CE2-CB 3.71Å; F223-V471 HydrophobicContact CE2-CG1 3.77Å; D224-V471 HydrophobicContact CB-CB 4.06Å; D224-V471 HydrophobicContact CB-CG2 3.83Å; D224-V471 PolarHBondContact OD2-N 3.43Å; P441-V471 HydrophobicContact CG-CG2 4.01Å; V471-S473 PolarHBondContact O-N 3.48Å; V471-E474 PolarHBondContact O-N 3.49Å; V471-E474 VanDerWaalsContact O-N 3.1Å; V471-L475 HydrophobicContact CG1-CG 4.46Å; V471-L475 PolarHBondContact O-N 2.86Å
472L96.7Very high90.2Very high0 Ų049.6 Ų49.60%025%0.253CS..Hα-helixtrans-51.3-36.7172.5-178.459.7000113.4L219 P470 E474 L475 L476 V506 I508 E516 V520 L533L219-L472 HydrophobicContact CD1-CD1 4.19Å; P470-L472 HydrophobicContact CB-CB 4.44Å; P470-L472 PolarHBondContact O-N 3.44Å; L472-E474 VanDerWaalsContact C-N 3.3Å; L472-E474 PolarHBondContact O-N 3.3Å; L472-L475 PolarHBondContact O-N 3.23Å; L472-L476 HydrophobicContact CD1-CD1 4.39Å; L472-L476 HydrophobicContact CD1-CD2 4.46Å; L472-L476 HydrophobicContact CD1-CG 4.09Å; L472-L476 HydrophobicContact CG-CD1 4.1Å; L472-L476 HydrophobicContact CG-CG 4.25Å; L472-L476 VanDerWaalsContact O-CG 3.3Å; L472-L476 WeakPolarHBondContact O-CG 3.3Å; L472-L476 PolarHBondContact O-N 2.83Å; L472-V506 HydrophobicContact CD1-CG1 3.86Å; L472-V506 HydrophobicContact CD1-CG2 4.19Å; L472-I508 HydrophobicContact CD2-CD1 4.48Å; L472-E516 HydrophobicContact CD2-CB 4.01Å; L472-E516 HydrophobicContact CD2-CG 4.36Å; L472-V520 HydrophobicContact CD2-CG2 3.71Å; L472-L533 HydrophobicContact CD2-CD1 4.08Å
473S96Very high92.1Very high34 Ų3454 Ų5424%0.23827%0.266CS..Hα-helixtrans-61-41-179.9-500000111.8P470 V471 G477P470-S473 VanDerWaalsContact O-CB 3.27Å; P470-S473 WeakPolarHBondContact O-CB 3.48Å; P470-S473 PolarHBondContact O-N 2.94Å; P470-S473 PolarHBondContact O-OG 3.19Å; V471-S473 PolarHBondContact O-N 3.48Å; S473-G477 PolarHBondContact O-N 3.15Å; S473-G477 VanDerWaalsContact O-N 3.08Å
474E93.7Very high92.9Very high94 Ų9452 Ų5244%0.43926%0.255SS..Hα-helixtrans-69.9-43.9177-173.9179167.300111V471 L472 L476 G477 E478V471-E474 PolarHBondContact O-N 3.49Å; V471-E474 VanDerWaalsContact O-N 3.1Å; L472-E474 VanDerWaalsContact C-N 3.3Å; L472-E474 PolarHBondContact O-N 3.3Å; E474-L476 VanDerWaalsContact C-N 3.31Å; E474-L476 PolarHBondContact O-N 2.67Å; E474-G477 WeakPolarHBondContact O-CA 3.38Å; E474-G477 PolarHBondContact O-N 2.87Å; E474-G477 VanDerWaalsContact O-N 3.07Å; E474-E478 PolarHBondContact O-N 3.45Å
475L95.5Very high93.2Very high1 Ų155.6 Ų55.61%0.00527%0.268CS..Hα-helixtrans-58.6-43.2177-63.3178.9000112.1L219 F223 I439 V471 L472 E478 L479 L484 Y489L219-L475 HydrophobicContact CD1-CD1 3.92Å; L219-L475 HydrophobicContact CD2-CD1 4.26Å; F223-L475 HydrophobicContact CD2-CD1 4.19Å; F223-L475 HydrophobicContact CE2-CD1 3.78Å; I439-L475 HydrophobicContact CD1-CD2 3.76Å; V471-L475 HydrophobicContact CG1-CG 4.46Å; V471-L475 PolarHBondContact O-N 2.86Å; L472-L475 PolarHBondContact O-N 3.23Å; L475-E478 PolarHBondContact O-N 2.99Å; L475-L479 WeakPolarHBondContact O-CB 3.43Å; L475-L479 WeakPolarHBondContact O-CG 3.5Å; L475-L479 PolarHBondContact O-N 2.89Å; L475-L484 HydrophobicContact CD2-CD1 3.8Å; L475-Y489 HydrophobicContact CD2-CE1 4.46Å; L475-Y489 HydrophobicContact CD2-CE2 3.75Å; L475-Y489 VanDerWaalsContact CD2-OH 3.25Å; L475-Y489 WeakPolarHBondContact CD2-OH 3.27Å
476L96.6Very high93.5Very high0 Ų058.8 Ų58.80%029%0.285CS..Hα-helixtrans-64.7-40175-68.6178000111.5L472 E474 L479 A480 V506 V520 F523 V531L472-L476 HydrophobicContact CD1-CD1 4.39Å; L472-L476 HydrophobicContact CD1-CD2 4.46Å; L472-L476 HydrophobicContact CD1-CG 4.09Å; L472-L476 HydrophobicContact CG-CD1 4.1Å; L472-L476 HydrophobicContact CG-CG 4.25Å; L472-L476 VanDerWaalsContact O-CG 3.3Å; L472-L476 WeakPolarHBondContact O-CG 3.3Å; L472-L476 PolarHBondContact O-N 2.83Å; E474-L476 VanDerWaalsContact C-N 3.31Å; E474-L476 PolarHBondContact O-N 2.67Å; L476-L479 HydrophobicContact CD2-CD1 4.39Å; L476-L479 PolarHBondContact O-N 3.38Å; L476-A480 WeakPolarHBondContact O-CB 3.4Å; L476-A480 PolarHBondContact O-N 2.91Å; L476-V506 HydrophobicContact CD2-CG2 4.06Å; L476-V520 HydrophobicContact CD1-CG2 4.02Å; L476-F523 HydrophobicContact CB-CD1 4.33Å; L476-F523 HydrophobicContact CB-CD2 3.75Å; L476-F523 HydrophobicContact CB-CE1 4.24Å; L476-F523 HydrophobicContact CB-CE2 3.66Å; L476-F523 HydrophobicContact CB-CG 4.1Å; L476-F523 HydrophobicContact CB-CZ 3.91Å; L476-F523 HydrophobicContact CD1-CB 4.21Å; L476-F523 HydrophobicContact CD1-CD1 4.21Å; L476-F523 HydrophobicContact CD1-CD2 4.43Å; L476-F523 HydrophobicContact CD1-CG 4.02Å; L476-F523 WeakPolarHBondContact O-CZ 3.33Å; L476-V531 HydrophobicContact CD1-CG1 4.13Å; L476-V531 HydrophobicContact CD1-CG2 4.35Å; L476-V531 HydrophobicContact CD2-CG1 3.85Å; L476-V531 HydrophobicContact CD2-CG2 3.96Å
477G94.8Very high93.8Very high13 Ų1360.8 Ų60.813%0.13430%0.301CS..Hα-helixtrans-60.7-43174.600000113.3S473 E474 K481S473-G477 PolarHBondContact O-N 3.15Å; S473-G477 VanDerWaalsContact O-N 3.08Å; E474-G477 WeakPolarHBondContact O-CA 3.38Å; E474-G477 PolarHBondContact O-N 2.87Å; E474-G477 VanDerWaalsContact O-N 3.07Å; G477-K481 WeakPolarHBondContact O-CG 3.42Å; G477-K481 PolarHBondContact O-N 3.23Å
478E94.3Very high94Very high53 Ų5360 Ų6025%0.24830%0.303CS..Hα-helixtrans-73.5-33.1177-68-54.4110.700112.4E474 L475 K481 N482 R483 L484E474-E478 PolarHBondContact O-N 3.45Å; L475-E478 PolarHBondContact O-N 2.99Å; E478-K481 PolarHBondContact O-N 3.41Å; E478-K481 IonicContact OE1-NZ 3.43Å; E478-K481 PolarHBondContact OE1-NZ 3.21Å; E478-N482 PolarHBondContact O-N 3.49Å; E478-R483 PolarHBondContact O-N 3.02Å; E478-R483 WeakPolarHBondContact OE2-CB 3.39Å; E478-L484 HydrophobicContact CB-CB 4.48Å; E478-L484 HydrophobicContact CB-CD1 4.35Å; E478-L484 PolarHBondContact O-N 2.85Å
479L92.7Very high94.1Very high6 Ų660 Ų603%0.03130%0.302CS..Hα-helixtrans-62.9-45.4169.9-82.2172.1000112.2L215 L217 L475 L476 K481 N482 L484 V504L215-L479 HydrophobicContact CD1-CD2 4.18Å; L215-L479 HydrophobicContact CD2-CD2 4.39Å; L217-L479 HydrophobicContact CD2-CD1 3.91Å; L475-L479 WeakPolarHBondContact O-CB 3.43Å; L475-L479 WeakPolarHBondContact O-CG 3.5Å; L475-L479 PolarHBondContact O-N 2.89Å; L476-L479 HydrophobicContact CD2-CD1 4.39Å; L476-L479 PolarHBondContact O-N 3.38Å; L479-K481 PolarHBondContact O-N 3.2Å; L479-N482 PolarHBondContact O-N 3.1Å; L479-L484 HydrophobicContact CD1-CD2 4.36Å; L479-L484 HydrophobicContact CD2-CB 3.95Å; L479-L484 HydrophobicContact CD2-CD2 3.53Å; L479-L484 HydrophobicContact CD2-CG 4.33Å; L479-L484 HydrophobicContact CG-CB 4.2Å; L479-L484 HydrophobicContact CG-CD2 3.78Å; L479-L484 HydrophobicContact CG-CG 4.46Å; L479-V504 HydrophobicContact CD1-CG1 4.2Å; L479-V504 HydrophobicContact CD1-CG2 4.37Å
480A92.5Very high94.3Very high44 Ų4454.3 Ų54.336%0.36428%0.281SS..Hα-helixtrans-58-33.8178.900000112.5L476 N482 F523 L529L476-A480 WeakPolarHBondContact O-CB 3.4Å; L476-A480 PolarHBondContact O-N 2.91Å; A480-N482 VanDerWaalsContact C-N 3.35Å; A480-F523 HydrophobicContact CB-CE2 4.37Å; A480-F523 HydrophobicContact CB-CZ 3.86Å; A480-L529 HydrophobicContact CB-CD2 4.35Å
481K91.9Very high94.2Very high115 Ų11555.8 Ų55.850%0.529%0.286SS..THydrogen-bonded Turntrans-89.3-0.2178.7-62.4169.3-164161.40113.1G477 E478 L479 R483G477-K481 WeakPolarHBondContact O-CG 3.42Å; G477-K481 PolarHBondContact O-N 3.23Å; E478-K481 PolarHBondContact O-N 3.41Å; E478-K481 IonicContact OE1-NZ 3.43Å; E478-K481 PolarHBondContact OE1-NZ 3.21Å; L479-K481 PolarHBondContact O-N 3.2Å; K481-R483 VanDerWaalsContact C-N 3.28Å; K481-R483 HydrophobicContact CB-CB 4.38Å; K481-R483 HydrophobicContact CB-CG 4.02Å; K481-R483 PolarHBondContact O-N 2.73Å
482N89.6Confident94.2Very high116 Ų11655.4 Ų55.462%0.6228%0.284SS*.THydrogen-bonded Turntrans54.240.1-172.2-16332.2000113.6E478 L479 A480E478-N482 PolarHBondContact O-N 3.49Å; L479-N482 PolarHBondContact O-N 3.1Å; A480-N482 VanDerWaalsContact C-N 3.35Å
483R92.2Very high93.8Very high172 Ų17259.3 Ų59.365%0.64931%0.311SS*.  trans-116.10.4-176.7-71.1178.9-170.8-167.5-0.4114E478 K481 K485E478-R483 PolarHBondContact O-N 3.02Å; E478-R483 WeakPolarHBondContact OE2-CB 3.39Å; K481-R483 VanDerWaalsContact C-N 3.28Å; K481-R483 HydrophobicContact CB-CB 4.38Å; K481-R483 HydrophobicContact CB-CG 4.02Å; K481-R483 PolarHBondContact O-N 2.73Å; R483-K485 PolarHBondContact O-N 2.92Å; R483-K485 VanDerWaalsContact O-N 3.11Å
484L92.5Very high93.3Very high16 Ų1661 Ų618%0.08434%0.335CS..  trans-61.3117.9176.3-169.874.1000109.8R177 L217 L475 E478 L479 E486 Y489R177-L484 PolarHBondContact NH1-O 2.81Å; R177-L484 PolarHBondContact NH2-O 3.38Å; L217-L484 HydrophobicContact CD1-CD2 4.39Å; L475-L484 HydrophobicContact CD2-CD1 3.8Å; E478-L484 HydrophobicContact CB-CB 4.48Å; E478-L484 HydrophobicContact CB-CD1 4.35Å; E478-L484 PolarHBondContact O-N 2.85Å; L479-L484 HydrophobicContact CD1-CD2 4.36Å; L479-L484 HydrophobicContact CD2-CB 3.95Å; L479-L484 HydrophobicContact CD2-CD2 3.53Å; L479-L484 HydrophobicContact CD2-CG 4.33Å; L479-L484 HydrophobicContact CG-CB 4.2Å; L479-L484 HydrophobicContact CG-CD2 3.78Å; L479-L484 HydrophobicContact CG-CG 4.46Å; L484-E486 PolarHBondContact O-N 3.09Å; L484-Y489 HydrophobicContact CD1-CD2 3.48Å; L484-Y489 VanDerWaalsContact CD1-CD2 3.48Å; L484-Y489 HydrophobicContact CD1-CE2 3.69Å; L484-Y489 HydrophobicContact CD1-CG 4.2Å; L484-Y489 HydrophobicContact CD2-CD1 4.41Å; L484-Y489 HydrophobicContact CD2-CD2 3.84Å; L484-Y489 HydrophobicContact CD2-CG 3.7Å; L484-Y489 HydrophobicContact CG-CD2 3.56Å; L484-Y489 HydrophobicContact CG-CE2 4.3Å; L484-Y489 HydrophobicContact CG-CG 3.96Å
485K92.8Very high93.1Very high147 Ų14757.7 Ų57.764%0.63932%0.321SS*.  trans-62130.1-172.8-64.9178-177.81730112R177 R483 S487 S488 Y489R177-K485 PolarHBondContact NH2-O 3.14Å; R483-K485 PolarHBondContact O-N 2.92Å; R483-K485 VanDerWaalsContact O-N 3.11Å; K485-S487 VanDerWaalsContact C-N 3.31Å; K485-S487 PolarHBondContact O-N 3.34Å; K485-S488 PolarHBondContact O-N 3.16Å; K485-Y489 PolarHBondContact O-N 2.82Å
486E93.5Very high92.6Very high123 Ų12361.1 Ų61.158%0.57535%0.345SS*.THydrogen-bonded Turntrans-67.9-30.5177.4-167.9170168.200112.5L484 S488 Y489 P490 Y491L484-E486 PolarHBondContact O-N 3.09Å; E486-S488 VanDerWaalsContact C-N 3.27Å; E486-S488 PolarHBondContact O-N 3.23Å; E486-Y489 CarbonylContact O-C 3.55Å; E486-Y489 PolarHBondContact O-N 2.91Å; E486-P490 WeakPolarHBondContact O-CA 3.41Å; E486-P490 WeakPolarHBondContact O-CB 3.29Å; E486-P490 VanDerWaalsContact O-CD 3.3Å; E486-P490 WeakPolarHBondContact O-CD 3.44Å; E486-Y491 HydrophobicContact CG-CD2 4.3Å
487S94.1Very high92.1Very high99 Ų9963.4 Ų63.469%0.69236%0.364SS*.THydrogen-bonded Turntrans-63.2-32.2174.859.30000113.5A180 K485A180-S487 WeakPolarHBondContact CB-O 3.36Å; K485-S487 VanDerWaalsContact C-N 3.31Å; K485-S487 PolarHBondContact O-N 3.34Å
488S94.6Very high91.6Very high51 Ų5163.5 Ų63.536%0.35736%0.362SS..THydrogen-bonded Turntrans-94.5-30.5-179.4-57.30000111.9A180 K485 E486A180-S488 VanDerWaalsContact CB-O 3.32Å; A180-S488 WeakPolarHBondContact CB-O 3.26Å; A180-S488 PolarHBondContact N-O 3.39Å; K485-S488 PolarHBondContact O-N 3.16Å; E486-S488 VanDerWaalsContact C-N 3.27Å; E486-S488 PolarHBondContact O-N 3.23Å
489Y96.5Very high90.9Very high19 Ų1967.7 Ų67.78%0.07539%0.391CS..SBendtrans-135.471.3-178.5-57.5-83.8000110.6R177 Y178 Q179 L217 L219 L475 L484 K485 E486R177-Y489 PolarHBondContact NE-O 2.84Å; R177-Y489 PolarHBondContact NH2-O 3.42Å; Y178-Y489 CarbonylContact O-C 3.58Å; Y178-Y489 WeakPolarHBondContact O-CA 3.38Å; Q179-Y489 HydrophobicContact CB-CD1 4.31Å; Q179-Y489 HydrophobicContact CB-CE1 4.09Å; Q179-Y489 HydrophobicContact CG-CE1 4.24Å; L217-Y489 HydrophobicContact CD1-CD1 4Å; L219-Y489 HydrophobicContact CD2-CD1 4.18Å; L219-Y489 HydrophobicContact CD2-CE1 3.63Å; L475-Y489 HydrophobicContact CD2-CE1 4.46Å; L475-Y489 HydrophobicContact CD2-CE2 3.75Å; L475-Y489 VanDerWaalsContact CD2-OH 3.25Å; L475-Y489 WeakPolarHBondContact CD2-OH 3.27Å; L484-Y489 HydrophobicContact CD1-CD2 3.48Å; L484-Y489 VanDerWaalsContact CD1-CD2 3.48Å; L484-Y489 HydrophobicContact CD1-CE2 3.69Å; L484-Y489 HydrophobicContact CD1-CG 4.2Å; L484-Y489 HydrophobicContact CD2-CD1 4.41Å; L484-Y489 HydrophobicContact CD2-CD2 3.84Å; L484-Y489 HydrophobicContact CD2-CG 3.7Å; L484-Y489 HydrophobicContact CG-CD2 3.56Å; L484-Y489 HydrophobicContact CG-CE2 4.3Å; L484-Y489 HydrophobicContact CG-CG 3.96Å; K485-Y489 PolarHBondContact O-N 2.82Å; E486-Y489 CarbonylContact O-C 3.55Å; E486-Y489 PolarHBondContact O-N 2.91Å
490P96.8Very high90.6Very high25 Ų2575.4 Ų75.416%0.16242%0.42CS..PPolyproline II helixtrans-66.9163.3-177.327.4-37.8000112.1R177 Y178 A180 E486R177-P490 VanDerWaalsContact CA-O 3.24Å; R177-P490 WeakPolarHBondContact CA-O 3.47Å; Y178-P490 HydrophobicContact CD2-CG 4.16Å; Y178-P490 HydrophobicContact CE1-CG 4.03Å; Y178-P490 HydrophobicContact CE2-CG 3.52Å; Y178-P490 VanDerWaalsContact CZ-CG 3.45Å; Y178-P490 PolarHBondContact N-O 3.41Å; Y178-P490 VanDerWaalsContact O-CD 3.32Å; Y178-P490 WeakPolarHBondContact O-CD 3.37Å; A180-P490 HydrophobicContact CB-CG 4.17Å; E486-P490 WeakPolarHBondContact O-CA 3.41Å; E486-P490 WeakPolarHBondContact O-CB 3.29Å; E486-P490 VanDerWaalsContact O-CD 3.3Å; E486-P490 WeakPolarHBondContact O-CD 3.44Å
491Y95.8Very high90.5Very high33 Ų3375.4 Ų75.413%0.12941%0.414CS..BIsolated β-bridgetrans-76.4146168.8-67.3-82.2000110.7T175 I176 R177 E486 C495 A497T175-Y491 HydrophobicContact CG2-CE1 4.46Å; I176-Y491 CarbonylContact O-C 3.43Å; I176-Y491 WeakPolarHBondContact O-CA 3.4Å; R177-Y491 HydrophobicContact CG-CD1 3.57Å; R177-Y491 HydrophobicContact CG-CE1 3.56Å; R177-Y491 HydrophobicContact CG-CG 4.22Å; E486-Y491 HydrophobicContact CG-CD2 4.3Å; Y491-C495 HydrophobicContact CD1-CB 4.37Å; Y491-A497 HydrophobicContact CE2-CB 4.39Å; Y491-A497 VanDerWaalsContact OH-CA 3.31Å; Y491-A497 WeakPolarHBondContact OH-CA 3.47Å; Y491-A497 VanDerWaalsContact OH-CB 3.29Å; Y491-A497 WeakPolarHBondContact OH-CB 3.43Å
492A95.1Very high90.5Very high2 Ų273.7 Ų73.72%0.01741%0.407CS..PPolyproline II helixtrans-61.9159.4167.500000111.1I176 A189 G494 C495I176-A492 HydrophobicContact CB-CB 3.83Å; I176-A492 HydrophobicContact CG2-CB 4.15Å; I176-A492 PolarHBondContact O-N 3.15Å; A189-A492 HydrophobicContact CB-CB 4.06Å; A492-G494 PolarHBondContact O-N 2.91Å; A492-G494 VanDerWaalsContact O-N 3.15Å; A492-C495 WeakPolarHBondContact O-CB 3.36Å; A492-C495 PolarHBondContact O-N 2.98Å
493S89.4Confident90.8Very high82 Ų8269 Ų6957%0.57338%0.382SS*.THydrogen-bonded Turntrans-54.5120.8-177.2-57.20000111.8D190 R193 C495D190-S493 PolarHBondContact OD1-N 3.35Å; D190-S493 PolarHBondContact OD1-OG 3.27Å; R193-S493 WeakPolarHBondContact CG-O 3.33Å; S493-C495 VanDerWaalsContact C-N 3.31Å; S493-C495 PolarHBondContact O-N 3.44Å
494G85.3Confident91Very high71 Ų7160.8 Ų60.873%0.73235%0.351SS*.THydrogen-bonded Turntrans73.616.7-179.100000115.2R193 A492R193-G494 PolarHBondContact NH2-O 3.41Å; A492-G494 PolarHBondContact O-N 2.91Å; A492-G494 VanDerWaalsContact O-N 3.15Å
495C89.1Confident91.2Very high23 Ų2360 Ų6016%0.15535%0.347CS..  trans-98.4153.4165.4-71.70000110.4Y491 A492 S493Y491-C495 HydrophobicContact CD1-CB 4.37Å; A492-C495 WeakPolarHBondContact O-CB 3.36Å; A492-C495 PolarHBondContact O-N 2.98Å; S493-C495 VanDerWaalsContact C-N 3.31Å; S493-C495 PolarHBondContact O-N 3.44Å
496S85.4Confident91.5Very high73 Ų7353 Ų5351%0.5132%0.317SS..  trans-135.5168175.963.50000110.6T175T175-S496 WeakPolarHBondContact CB-O 3.31Å; T175-S496 PolarHBondContact OG1-O 3.38Å
497A85.3Confident91.8Very high48 Ų4847.2 Ų47.240%0.39729%0.289SS..  trans-56.2138.7174.500000111.3Y491Y491-A497 HydrophobicContact CE2-CB 4.39Å; Y491-A497 VanDerWaalsContact OH-CA 3.31Å; Y491-A497 WeakPolarHBondContact OH-CA 3.47Å; Y491-A497 VanDerWaalsContact OH-CB 3.29Å; Y491-A497 WeakPolarHBondContact OH-CB 3.43Å
498P83.8Confident92Very high15 Ų1542.5 Ų42.510%0.09726%0.256CS..  trans-70.9145.217527.3-25.3000110.4T175 N212 R500 L501T175-P498 HydrophobicContact CG2-CB 4.27Å; T175-P498 HydrophobicContact CG2-CG 4.03Å; N212-P498 HydrophobicContact CB-CB 4.22Å; N212-P498 WeakPolarHBondContact O-CB 3.43Å; P498-R500 VanDerWaalsContact C-N 3.26Å; P498-R500 PolarHBondContact O-N 2.82Å; P498-L501 HydrophobicContact CG-CB 4.22Å; P498-L501 HydrophobicContact CG-CD1 4.15Å
499V80.2Confident92Very high142 Ų14240 Ų4086%0.86124%0.239SC*.SBendtrans-63.7-38.2176.6178.50000110.3
500R86.3Confident92Very high167 Ų16739.1 Ų39.163%0.6324%0.236SC*.SBendtrans-147.1119.3176.6-177.4-178.5-176.8179.51109.4E213 P498 Q502E213-R500 VanDerWaalsContact CA-O 3.3Å; E213-R500 WeakPolarHBondContact CA-O 3.38Å; P498-R500 VanDerWaalsContact C-N 3.26Å; P498-R500 PolarHBondContact O-N 2.82Å; R500-Q502 HydrophobicContact CG-CG 4.4Å
501L90.9Very high92.1Very high44 Ų4438 Ų3823%0.2323%0.228CC..  trans-86.1118.6177.9-174.563.2000110.6L215 P498 E503 V504 L529L215-L501 HydrophobicContact CB-CD1 3.43Å; L215-L501 VanDerWaalsContact CB-CD1 3.43Å; L215-L501 HydrophobicContact CD1-CD1 4.4Å; P498-L501 HydrophobicContact CG-CB 4.22Å; P498-L501 HydrophobicContact CG-CD1 4.15Å; L501-E503 WeakPolarHBondContact CD1-O 3.18Å; L501-V504 HydrophobicContact CD1-CG2 4.13Å; L501-V504 HydrophobicContact CD2-CG2 3.84Å; L501-V504 HydrophobicContact CG-CG2 4.24Å; L501-L529 HydrophobicContact CD2-CD1 4.14Å; L501-L529 HydrophobicContact CD2-CD2 4.09Å; L501-L529 HydrophobicContact CG-CD1 3.72Å
502Q92.2Very high92.2Very high79 Ų7936.4 Ų36.437%0.36922%0.222SC..  trans-113.1-25.1177.3-61-163.512.100113.4E213 R500 L529 K530E213-Q502 HydrophobicContact CB-CB 4.26Å; E213-Q502 HydrophobicContact CB-CG 4.1Å; E213-Q502 VanDerWaalsContact CD-CD 3.5Å; E213-Q502 HydrophobicContact CG-CG 4.36Å; E213-Q502 PolarHBondContact O-N 3.31Å; E213-Q502 PolarHBondContact OE1-NE2 2.77Å; E213-Q502 VanDerWaalsContact OE2-CD 3.32Å; E213-Q502 PolarHBondContact OE2-NE2 2.86Å; E213-Q502 VanDerWaalsContact OE2-NE2 3.17Å; R500-Q502 HydrophobicContact CG-CG 4.4Å; Q502-L529 VanDerWaalsContact C-CD1 3.42Å; Q502-K530 PolarHBondContact O-N 2.88Å; Q502-K530 VanDerWaalsContact O-N 3.13Å
503E94.2Very high92.3Very high17 Ų1736.4 Ų36.48%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-143.6141.2-178-168.6-179.6-106.700111.1R172 E213 T214 L215 L501 K530R172-E503 WeakPolarHBondContact CD-OE2 3.35Å; R172-E503 IonicContact CZ-OE1 3.62Å; R172-E503 IonicContact CZ-OE2 2.86Å; R172-E503 IonicContact NE-OE1 2.72Å; R172-E503 IonicContact NE-OE2 2.73Å; R172-E503 PolarHBondContact NE-OE2 3.06Å; R172-E503 IonicContact NH2-OE1 3.83Å; R172-E503 PolarHBondContact NH2-OE1 3.33Å; R172-E503 IonicContact NH2-OE2 2.72Å; E213-E503 PolarHBondContact O-N 3.15Å; T214-E503 CarbonylContact C-O 3.57Å; T214-E503 VanDerWaalsContact CA-O 3.31Å; T214-E503 WeakPolarHBondContact CA-O 3.46Å; T214-E503 HydrophobicContact CG2-CB 4.13Å; T214-E503 HydrophobicContact CG2-CG 4.29Å; T214-E503 WeakPolarHBondContact CG2-OE2 3.48Å; T214-E503 PolarHBondContact OG1-OE2 3.02Å; L215-E503 PolarHBondContact N-O 3.38Å; L501-E503 WeakPolarHBondContact CD1-O 3.18Å; E503-K530 CarbonylContact C-O 3.6Å; E503-K530 VanDerWaalsContact CA-O 3.25Å; E503-K530 WeakPolarHBondContact CA-O 3.48Å; E503-K530 HydrophobicContact CG-CB 4.19Å
504V96.6Very high92.8Very high0 Ų032.7 Ų32.70%020%0.195CC..EExtended strand (participates in β ladder)trans-121.1130.3170.8-179.40000109.3L215 L217 L479 L501 V506 L529 K530 V531 I532L215-V504 HydrophobicContact CB-CG2 4.45Å; L215-V504 HydrophobicContact CD2-CG1 4.05Å; L215-V504 CarbonylContact O-C 3.46Å; L215-V504 VanDerWaalsContact O-CA 3.3Å; L215-V504 WeakPolarHBondContact O-CA 3.44Å; L217-V504 HydrophobicContact CB-CG1 4.45Å; L479-V504 HydrophobicContact CD1-CG1 4.2Å; L479-V504 HydrophobicContact CD1-CG2 4.37Å; L501-V504 HydrophobicContact CD1-CG2 4.13Å; L501-V504 HydrophobicContact CD2-CG2 3.84Å; L501-V504 HydrophobicContact CG-CG2 4.24Å; V504-V506 HydrophobicContact CG1-CG2 3.66Å; V504-L529 HydrophobicContact CG2-CD1 4.04Å; V504-L529 HydrophobicContact CG2-CD2 3.86Å; V504-L529 HydrophobicContact CG2-CG 4.19Å; V504-K530 PolarHBondContact N-O 3.27Å; V504-V531 HydrophobicContact CB-CG2 4.43Å; V504-V531 CarbonylContact O-C 3.51Å; V504-V531 VanDerWaalsContact O-CA 3.29Å; V504-V531 WeakPolarHBondContact O-CA 3.36Å; V504-I532 PolarHBondContact O-N 2.69Å
505I98.1Very high93.4Very high1 Ų130.4 Ų30.41%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-101.6117.6164.6-57.2172.6000106.2F138 V166 L167 L170 T214 L215 L216 L217 I532F138-I505 HydrophobicContact CE1-CG2 4.3Å; V166-I505 HydrophobicContact CG1-CD1 4.48Å; L167-I505 HydrophobicContact CD2-CD1 3.69Å; L170-I505 HydrophobicContact CD1-CD1 4.29Å; T214-I505 HydrophobicContact CG2-CD1 4.12Å; T214-I505 HydrophobicContact CG2-CG1 4.19Å; L215-I505 PolarHBondContact O-N 3.21Å; L216-I505 CarbonylContact C-O 3.59Å; L216-I505 VanDerWaalsContact CA-O 3.31Å; L216-I505 WeakPolarHBondContact CA-O 3.46Å; L216-I505 HydrophobicContact CD1-CB 4.03Å; L216-I505 HydrophobicContact CD1-CG2 3.84Å; L216-I505 WeakPolarHBondContact CD1-O 3.06Å; L217-I505 PolarHBondContact N-O 3.13Å; I505-I532 CarbonylContact C-O 3.55Å; I505-I532 WeakPolarHBondContact CA-O 3.32Å; I505-I532 HydrophobicContact CG1-CB 4.31Å; I505-I532 HydrophobicContact CG1-CD1 4.46Å; I505-I532 HydrophobicContact CG2-CG2 4.49Å
506V98.7Very high93.8Very high0 Ų029.3 Ų29.30%016%0.158CC..EExtended strand (participates in β ladder)trans-101.1129174.3-1770000108.4L217 L219 L472 L476 V504 I508 V531 I532 L533 G534L217-V506 HydrophobicContact CB-CG2 4.47Å; L217-V506 CarbonylContact O-C 3.58Å; L217-V506 WeakPolarHBondContact O-CA 3.45Å; L219-V506 HydrophobicContact CD1-CG1 3.81Å; L219-V506 HydrophobicContact CG-CG1 4.36Å; L472-V506 HydrophobicContact CD1-CG1 3.86Å; L472-V506 HydrophobicContact CD1-CG2 4.19Å; L476-V506 HydrophobicContact CD2-CG2 4.06Å; V504-V506 HydrophobicContact CG1-CG2 3.66Å; V506-I508 HydrophobicContact CG1-CG1 4.13Å; V506-V531 HydrophobicContact CG2-CG1 4.15Å; V506-I532 PolarHBondContact N-O 3.44Å; V506-L533 HydrophobicContact CB-CD1 4.15Å; V506-L533 HydrophobicContact CG1-CD1 4.15Å; V506-L533 CarbonylContact O-C 3.52Å; V506-G534 PolarHBondContact O-N 2.94Å
507F98.7Very high94.4Very high0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans-119.9113.4173.3-174.5-105.1000110.4F138 V140 L163 L216 L217 L219 F509 G534 T536F138-F507 HydrophobicContact CE2-CD2 4.06Å; F138-F507 HydrophobicContact CE2-CE2 4.16Å; F138-F507 AromaticContact CZ-CD2 3.96Å; F138-F507 HydrophobicContact CZ-CD2 3.96Å; V140-F507 HydrophobicContact CG2-CE2 3.76Å; V140-F507 HydrophobicContact CG2-CZ 4.02Å; L163-F507 HydrophobicContact CD1-CD1 3.97Å; L163-F507 HydrophobicContact CD1-CE1 4.38Å; L163-F507 HydrophobicContact CD1-CG 4.16Å; L163-F507 HydrophobicContact CD2-CB 3.87Å; L163-F507 HydrophobicContact CD2-CD1 4.4Å; L163-F507 HydrophobicContact CD2-CD2 3.84Å; L163-F507 HydrophobicContact CD2-CG 3.77Å; L163-F507 HydrophobicContact CG-CD1 4.48Å; L163-F507 HydrophobicContact CG-CD2 4.45Å; L163-F507 HydrophobicContact CG-CG 4.31Å; L216-F507 HydrophobicContact CD1-CB 4.38Å; L217-F507 PolarHBondContact O-N 3.1Å; L219-F507 PolarHBondContact N-O 3.22Å; F507-F509 HydrophobicContact CE1-CB 4.2Å; F507-F509 HydrophobicContact CE1-CD2 4.2Å; F507-G534 CarbonylContact C-O 3.45Å; F507-G534 VanDerWaalsContact CA-O 3.32Å; F507-G534 WeakPolarHBondContact CA-O 3.18Å; F507-T536 HydrophobicContact CE1-CG2 4.24Å; F507-T536 HydrophobicContact CZ-CG2 3.74Å
508I98.2Very high95Very high0 Ų024.2 Ų24.20%012%0.118CC..EExtended strand (participates in β ladder)trans-98104.7176.5-48.5179.1000108.6L219 R221 F223 L472 V506 G511 A512 E516 L533 G534 G535 T536L219-I508 HydrophobicContact CB-CG1 4.33Å; L219-I508 HydrophobicContact CD1-CG1 4.36Å; R221-I508 HydrophobicContact CB-CG2 4.18Å; F223-I508 HydrophobicContact CE1-CD1 4.28Å; F223-I508 HydrophobicContact CE1-CG2 4.1Å; F223-I508 HydrophobicContact CZ-CD1 4.41Å; L472-I508 HydrophobicContact CD2-CD1 4.48Å; V506-I508 HydrophobicContact CG1-CG1 4.13Å; I508-G511 WeakPolarHBondContact CG2-O 3.32Å; I508-G511 PolarHBondContact O-N 3.36Å; I508-A512 HydrophobicContact CB-CB 4.49Å; I508-A512 HydrophobicContact CD1-CB 4.19Å; I508-E516 WeakPolarHBondContact CD1-OE2 3.48Å; I508-L533 HydrophobicContact CD1-CD1 3.93Å; I508-L533 HydrophobicContact CG1-CD1 4.09Å; I508-G534 PolarHBondContact N-O 3.23Å; I508-G535 VanDerWaalsContact O-CA 3.26Å; I508-G535 WeakPolarHBondContact O-CA 3.19Å; I508-T536 PolarHBondContact O-N 2.96Å
509F96.3Very high95.7Very high0 Ų024.1 Ų24.10%012%0.119CC..EExtended strand (participates in β ladder)trans-73.8143.5170.3-171.2-80.6000110.4C145 Y146 W151 A155 S159 L219 R221 F507 T536C145-F509 HydrophobicContact CB-CD1 4.19Å; C145-F509 HydrophobicContact CB-CE1 3.36Å; C145-F509 HydrophobicContact CB-CE2 4.31Å; C145-F509 HydrophobicContact CB-CZ 3.46Å; C145-F509 VanDerWaalsContact CB-CZ 3.46Å; Y146-F509 HydrophobicContact CE1-CE1 4.5Å; Y146-F509 PolarHBondContact OH-O 3.44Å; W151-F509 HydrophobicContact CB-CE1 3.74Å; W151-F509 HydrophobicContact CB-CZ 3.69Å; W151-F509 AromaticContact CD1-CD1 3.89Å; W151-F509 AromaticContact CD1-CE1 3.55Å; W151-F509 HydrophobicContact CD2-CB 4.34Å; W151-F509 AromaticContact CD2-CD1 3.07Å; W151-F509 HydrophobicContact CD2-CD1 3.07Å; W151-F509 AromaticContact CD2-CD2 3.87Å; W151-F509 HydrophobicContact CD2-CD2 3.87Å; W151-F509 AromaticContact CD2-CE1 2.97Å; W151-F509 HydrophobicContact CD2-CE1 2.97Å; W151-F509 AromaticContact CD2-CE2 3.79Å; W151-F509 HydrophobicContact CD2-CE2 3.79Å; W151-F509 AromaticContact CD2-CG 3.51Å; W151-F509 HydrophobicContact CD2-CG 3.51Å; W151-F509 AromaticContact CD2-CZ 3.34Å; W151-F509 HydrophobicContact CD2-CZ 3.34Å; W151-F509 AromaticContact CE2-CD1 3.05Å; W151-F509 AromaticContact CE2-CE1 3.46Å; W151-F509 VanDerWaalsContact CE2-CE1 3.46Å; W151-F509 AromaticContact CE2-CG 3.54Å; W151-F509 HydrophobicContact CE3-CB 4.06Å; W151-F509 AromaticContact CE3-CD1 3.37Å; W151-F509 HydrophobicContact CE3-CD1 3.37Å; W151-F509 AromaticContact CE3-CD2 3.18Å; W151-F509 HydrophobicContact CE3-CD2 3.18Å; W151-F509 AromaticContact CE3-CE1 3.36Å; W151-F509 HydrophobicContact CE3-CE1 3.36Å; W151-F509 AromaticContact CE3-CE2 3.18Å; W151-F509 HydrophobicContact CE3-CE2 3.18Å; W151-F509 AromaticContact CE3-CG 3.25Å; W151-F509 HydrophobicContact CE3-CG 3.25Å; W151-F509 AromaticContact CE3-CZ 3.24Å; W151-F509 HydrophobicContact CE3-CZ 3.24Å; W151-F509 AromaticContact CG-CD1 3.7Å; W151-F509 HydrophobicContact CG-CD1 3.7Å; W151-F509 AromaticContact CG-CE1 3.13Å; W151-F509 HydrophobicContact CG-CE1 3.13Å; W151-F509 HydrophobicContact CG-CE2 4.42Å; W151-F509 AromaticContact CG-CZ 3.54Å; W151-F509 HydrophobicContact CG-CZ 3.54Å; W151-F509 HydrophobicContact CH2-CB 3.02Å; W151-F509 AromaticContact CH2-CD1 3.75Å; W151-F509 HydrophobicContact CH2-CD1 3.75Å; W151-F509 AromaticContact CH2-CD2 3.76Å; W151-F509 HydrophobicContact CH2-CD2 3.76Å; W151-F509 AromaticContact CH2-CG 3.24Å; W151-F509 HydrophobicContact CH2-CG 3.24Å; W151-F509 HydrophobicContact CZ2-CB 3.31Å; W151-F509 AromaticContact CZ2-CD1 3.42Å; W151-F509 HydrophobicContact CZ2-CD1 3.42Å; W151-F509 VanDerWaalsContact CZ2-CD1 3.42Å; W151-F509 HydrophobicContact CZ2-CD2 4.31Å; W151-F509 HydrophobicContact CZ2-CE1 4.24Å; W151-F509 AromaticContact CZ2-CG 3.43Å; W151-F509 HydrophobicContact CZ2-CG 3.43Å; W151-F509 VanDerWaalsContact CZ2-CG 3.43Å; W151-F509 HydrophobicContact CZ3-CB 3.43Å; W151-F509 VanDerWaalsContact CZ3-CB 3.43Å; W151-F509 AromaticContact CZ3-CD1 3.7Å; W151-F509 HydrophobicContact CZ3-CD1 3.7Å; W151-F509 AromaticContact CZ3-CD2 3.12Å; W151-F509 HydrophobicContact CZ3-CD2 3.12Å; W151-F509 HydrophobicContact CZ3-CE1 4.15Å; W151-F509 AromaticContact CZ3-CE2 3.65Å; W151-F509 HydrophobicContact CZ3-CE2 3.65Å; W151-F509 AromaticContact CZ3-CG 3.12Å; W151-F509 HydrophobicContact CZ3-CG 3.12Å; W151-F509 HydrophobicContact CZ3-CZ 4.11Å; W151-F509 AromaticContact NE1-CD1 3.52Å; W151-F509 AromaticContact NE1-CE1 3.71Å; A155-F509 HydrophobicContact CB-CE2 3.88Å; A155-F509 HydrophobicContact CB-CZ 3.61Å; S159-F509 WeakPolarHBondContact OG-CD2 3.36Å; S159-F509 WeakPolarHBondContact OG-CE2 3.44Å; L219-F509 PolarHBondContact O-N 3.28Å; R221-F509 VanDerWaalsContact CB-O 3.31Å; R221-F509 WeakPolarHBondContact CB-O 3.4Å; R221-F509 PolarHBondContact N-O 3.23Å; F507-F509 HydrophobicContact CE1-CB 4.2Å; F507-F509 HydrophobicContact CE1-CD2 4.2Å; F509-T536 HydrophobicContact CB-CG2 4.43Å; F509-T536 HydrophobicContact CD2-CG2 3.52Å; F509-T536 HydrophobicContact CE2-CG2 3.92Å; F509-T536 HydrophobicContact CG-CG2 3.96Å
510G96Very high96.5Very high0 Ų017.3 Ų17.30%08%0.078CC..THydrogen-bonded Turntrans7814.6-165.100000112.2R221 T536 H539R221-G510 WeakPolarHBondContact CB-O 3.37Å; R221-G510 WeakPolarHBondContact CG-O 3.39Å; G510-T536 WeakPolarHBondContact CA-OG1 3.35Å; G510-T536 PolarHBondContact N-OG1 3.33Å; G510-H539 PolarHBondContact O-CD2 2.9Å; G510-H539 PolarHBondContact O-NE2 2.91Å
511G97.4Very high97Very high0 Ų013.3 Ų13.30%06%0.063CC..  trans87.7160.5168.400000115.8R221 I508 T536 A537R221-G511 WeakPolarHBondContact CD-O 3.45Å; R221-G511 PolarHBondContact NH1-O 3.41Å; I508-G511 WeakPolarHBondContact CG2-O 3.32Å; I508-G511 PolarHBondContact O-N 3.36Å; G511-T536 PolarHBondContact N-OG1 2.66Å; G511-A537 CarbonylContact C-O 3.3Å; G511-A537 WeakPolarHBondContact CA-O 3.32Å
512A98.4Very high97.2Very high0 Ų014.7 Ų14.70%07%0.07CC..BIsolated β-bridgetrans-113.6174175.400000110.1I508 E516 L533 A537 M538 H539I508-A512 HydrophobicContact CB-CB 4.49Å; I508-A512 HydrophobicContact CD1-CB 4.19Å; A512-E516 VanDerWaalsContact CA-OE2 3.23Å; A512-E516 WeakPolarHBondContact CA-OE2 3.5Å; A512-L533 HydrophobicContact CB-CD1 4.3Å; A512-L533 HydrophobicContact CB-CD2 4.05Å; A512-L533 HydrophobicContact CB-CG 4.19Å; A512-A537 PolarHBondContact N-O 3.41Å; A512-M538 HydrophobicContact CB-CE 4.36Å; A512-M538 HydrophobicContact CB-SD 4.14Å; A512-M538 CarbonylContact O-C 3.52Å; A512-M538 WeakPolarHBondContact O-CA 3.48Å; A512-H539 PolarHBondContact O-N 3.02Å
513T98.7Very high97.4Very high2 Ų211.7 Ų11.71%0.0126%0.056CC..  trans-119161.517372.90000111.3T227 P228 E515 E516 S517 M538T227-T513 HydrophobicContact CG2-CG2 4.09Å; T227-T513 WeakPolarHBondContact CG2-OG1 3.42Å; P228-T513 HydrophobicContact CB-CG2 3.83Å; T513-E515 PolarHBondContact O-N 2.93Å; T513-E515 PolarHBondContact OG1-N 3.2Å; T513-E516 PolarHBondContact N-OE2 3.04Å; T513-E516 PolarHBondContact O-N 3.14Å; T513-E516 WeakPolarHBondContact OG1-CG 3.48Å; T513-E516 PolarHBondContact OG1-N 3.1Å; T513-E516 VanDerWaalsContact OG1-N 3.08Å; T513-S517 PolarHBondContact O-N 3.2Å; T513-S517 VanDerWaalsContact O-N 3.1Å; T513-M538 WeakPolarHBondContact O-CE 3.39Å
514Y98.5Very high97.5Very high5 Ų512.5 Ų12.52%0.026%0.064CC..Hα-helixtrans-68.2-22.1171.6-77.9-67.9000112.7L137 Q236 H240 I245 S517 L518 M538L137-Y514 HydrophobicContact CD2-CD1 3.92Å; L137-Y514 HydrophobicContact CD2-CE1 3.54Å; Q236-Y514 HydrophobicContact CG-CD1 3.62Å; Q236-Y514 HydrophobicContact CG-CD2 4.34Å; Q236-Y514 HydrophobicContact CG-CE1 3.9Å; Q236-Y514 HydrophobicContact CG-CG 3.84Å; H240-Y514 HydrophobicContact CB-CD2 3.49Å; H240-Y514 VanDerWaalsContact CB-CD2 3.49Å; H240-Y514 HydrophobicContact CB-CE2 3.79Å; H240-Y514 AromaticContact CD2-CD2 3.67Å; H240-Y514 AromaticContact CD2-CE2 3.98Å; H240-Y514 AromaticContact CE1-CE2 4Å; H240-Y514 AromaticContact CG-CD2 3.42Å; H240-Y514 VanDerWaalsContact CG-CD2 3.42Å; H240-Y514 AromaticContact CG-CE2 3.5Å; H240-Y514 AromaticContact ND1-CD2 3.95Å; H240-Y514 AromaticContact ND1-CE2 3.51Å; I245-Y514 HydrophobicContact CB-CE2 4.14Å; I245-Y514 HydrophobicContact CD1-CE2 4.05Å; Y514-S517 WeakPolarHBondContact O-CB 3.46Å; Y514-S517 PolarHBondContact O-N 3.48Å; Y514-L518 PolarHBondContact O-N 3.18Å; Y514-M538 HydrophobicContact CD1-CE 4.03Å; Y514-M538 HydrophobicContact CD2-CE 4.23Å; Y514-M538 HydrophobicContact CE1-CE 4.22Å; Y514-M538 HydrophobicContact CE2-CB 4.3Å; Y514-M538 HydrophobicContact CE2-CE 4.4Å; Y514-M538 HydrophobicContact CG-CE 4.07Å
515E97.8Very high97.3Very high23 Ų2318.4 Ų18.411%0.1079%0.092CC..Hα-helixtrans-67.9-37.7171.3-171.856.5-153.700111.8T227 Q232 P470 T513 S517 L518 A519T227-E515 HydrophobicContact CG2-CB 4.3Å; T227-E515 HydrophobicContact CG2-CG 4.46Å; Q232-E515 VanDerWaalsContact OE1-CB 3.3Å; Q232-E515 VanDerWaalsContact OE1-CG 3.3Å; Q232-E515 PolarHBondContact OE1-OE2 3.24Å; P470-E515 HydrophobicContact CG-CG 3.87Å; T513-E515 PolarHBondContact O-N 2.93Å; T513-E515 PolarHBondContact OG1-N 3.2Å; E515-S517 VanDerWaalsContact C-N 3.33Å; E515-L518 WeakPolarHBondContact O-CB 3.31Å; E515-L518 PolarHBondContact O-N 3.45Å; E515-A519 PolarHBondContact O-N 2.92Å
516E98.5Very high97.1Very high0 Ų024.2 Ų24.20%012%0.122CC..Hα-helixtrans-68.6-34.9171.5-71.3168.315100111.9R221 T227 P470 L472 I508 A512 T513 L518 A519 V520 L533R221-E516 IonicContact CZ-OE1 3.58Å; R221-E516 IonicContact CZ-OE2 3.51Å; R221-E516 IonicContact NH1-OE1 2.77Å; R221-E516 PolarHBondContact NH1-OE1 3.43Å; R221-E516 IonicContact NH1-OE2 3.66Å; R221-E516 PolarHBondContact NH1-OE2 2.89Å; R221-E516 IonicContact NH2-OE1 3.56Å; R221-E516 PolarHBondContact NH2-OE1 3.22Å; T227-E516 HydrophobicContact CG2-CG 4.09Å; P470-E516 HydrophobicContact CB-CG 3.8Å; P470-E516 HydrophobicContact CG-CG 4.1Å; L472-E516 HydrophobicContact CD2-CB 4.01Å; L472-E516 HydrophobicContact CD2-CG 4.36Å; I508-E516 WeakPolarHBondContact CD1-OE2 3.48Å; A512-E516 VanDerWaalsContact CA-OE2 3.23Å; A512-E516 WeakPolarHBondContact CA-OE2 3.5Å; T513-E516 PolarHBondContact N-OE2 3.04Å; T513-E516 PolarHBondContact O-N 3.14Å; T513-E516 WeakPolarHBondContact OG1-CG 3.48Å; T513-E516 PolarHBondContact OG1-N 3.1Å; T513-E516 VanDerWaalsContact OG1-N 3.08Å; E516-L518 VanDerWaalsContact C-N 3.34Å; E516-A519 PolarHBondContact O-N 3.16Å; E516-V520 WeakPolarHBondContact O-CB 3.49Å; E516-V520 VanDerWaalsContact O-CG2 3.3Å; E516-V520 WeakPolarHBondContact O-CG2 3.28Å; E516-V520 PolarHBondContact O-N 3.4Å; E516-L533 HydrophobicContact CB-CD2 3.75Å
517S98.3Very high96.8Very high0 Ų028.6 Ų28.60%014%0.142CC..Hα-helixtrans-62.2-42.3172.1-169.30000111.5Y280 T513 Y514 E515 V520 Y521Y280-S517 PolarHBondContact OH-OG 3.45Å; T513-S517 PolarHBondContact O-N 3.2Å; T513-S517 VanDerWaalsContact O-N 3.1Å; Y514-S517 WeakPolarHBondContact O-CB 3.46Å; Y514-S517 PolarHBondContact O-N 3.48Å; E515-S517 VanDerWaalsContact C-N 3.33Å; S517-V520 PolarHBondContact O-N 2.96Å; S517-Y521 WeakPolarHBondContact O-CB 3.46Å; S517-Y521 PolarHBondContact O-N 2.98Å
518L97.5Very high96.4Very high13 Ų1334.8 Ų34.87%0.06818%0.182CC..Hα-helixtrans-61.2-45.3173.2172.465.8000111.3T234 Y280 Y514 E515 E516 V520 Y521 N522T234-L518 HydrophobicContact CG2-CD2 3.45Å; T234-L518 VanDerWaalsContact CG2-CD2 3.45Å; Y280-L518 HydrophobicContact CD1-CB 4.17Å; Y280-L518 HydrophobicContact CD1-CD1 3.64Å; Y280-L518 HydrophobicContact CE1-CB 4.37Å; Y280-L518 HydrophobicContact CE1-CD1 4.47Å; Y280-L518 HydrophobicContact CG-CD1 3.73Å; Y514-L518 PolarHBondContact O-N 3.18Å; E515-L518 WeakPolarHBondContact O-CB 3.31Å; E515-L518 PolarHBondContact O-N 3.45Å; E516-L518 VanDerWaalsContact C-N 3.34Å; L518-V520 VanDerWaalsContact C-N 3.31Å; L518-V520 PolarHBondContact O-N 2.84Å; L518-Y521 PolarHBondContact O-N 3.41Å; L518-N522 WeakPolarHBondContact CD1-ND2 3.17Å; L518-N522 WeakPolarHBondContact O-CB 3.38Å; L518-N522 PolarHBondContact O-N 3Å; L518-N522 PolarHBondContact O-ND2 3.28Å
519A97.3Very high96.2Very high13 Ų1335.3 Ų35.311%0.10718%0.184CC..Hα-helixtrans-59.2-43.1176.900000111.9P470 E515 E516 F523P470-A519 HydrophobicContact CG-CB 4.35Å; E515-A519 PolarHBondContact O-N 2.92Å; E516-A519 PolarHBondContact O-N 3.16Å; A519-F523 WeakPolarHBondContact O-CB 3.47Å; A519-F523 PolarHBondContact O-N 2.71Å
520V98.1Very high96.1Very high0 Ų041.8 Ų41.80%021%0.213CC..Hα-helixtrans-63.5-43.2175.3159.40000112.1L472 L476 E516 S517 L518 S524 V531 L533L472-V520 HydrophobicContact CD2-CG2 3.71Å; L476-V520 HydrophobicContact CD1-CG2 4.02Å; E516-V520 WeakPolarHBondContact O-CB 3.49Å; E516-V520 VanDerWaalsContact O-CG2 3.3Å; E516-V520 WeakPolarHBondContact O-CG2 3.28Å; E516-V520 PolarHBondContact O-N 3.4Å; S517-V520 PolarHBondContact O-N 2.96Å; L518-V520 VanDerWaalsContact C-N 3.31Å; L518-V520 PolarHBondContact O-N 2.84Å; V520-S524 WeakPolarHBondContact O-CB 3.38Å; V520-S524 PolarHBondContact O-N 3.48Å; V520-S524 PolarHBondContact O-OG 2.86Å; V520-V531 HydrophobicContact CB-CG1 4.39Å; V520-V531 HydrophobicContact CG1-CB 3.9Å; V520-V531 HydrophobicContact CG1-CG1 3.81Å; V520-V531 WeakPolarHBondContact CG1-O 3.45Å; V520-V531 HydrophobicContact CG2-CG1 3.9Å; V520-L533 HydrophobicContact CG1-CB 4.32Å; V520-L533 HydrophobicContact CG2-CB 4.04Å; V520-L533 HydrophobicContact CG2-CD2 4.27Å
521Y96.1Very high96.2Very high83 Ų8342 Ų4233%0.32521%0.214SC..Hα-helixtrans-61.6-54.5176.2174.9-98.4000110.8H136 Y280 S517 L518 F523 S524 Q525H136-Y521 AromaticContact CE1-CD2 3.94Å; Y280-Y521 AromaticContact CD2-CD1 3.44Å; Y280-Y521 HydrophobicContact CD2-CD1 3.44Å; Y280-Y521 VanDerWaalsContact CD2-CD1 3.44Å; Y280-Y521 HydrophobicContact CD2-CD2 4.04Å; Y280-Y521 AromaticContact CD2-CE1 3.65Å; Y280-Y521 HydrophobicContact CD2-CE1 3.65Å; Y280-Y521 HydrophobicContact CD2-CE2 4.21Å; Y280-Y521 AromaticContact CD2-CG 3.64Å; Y280-Y521 HydrophobicContact CD2-CG 3.64Å; Y280-Y521 AromaticContact CE2-CD1 3.69Å; Y280-Y521 HydrophobicContact CE2-CD1 3.69Å; Y280-Y521 AromaticContact CE2-CD2 3.51Å; Y280-Y521 HydrophobicContact CE2-CD2 3.51Å; Y280-Y521 HydrophobicContact CE2-CE1 4.15Å; Y280-Y521 AromaticContact CE2-CE2 3.98Å; Y280-Y521 HydrophobicContact CE2-CE2 3.98Å; Y280-Y521 AromaticContact CE2-CG 3.34Å; Y280-Y521 HydrophobicContact CE2-CG 3.34Å; Y280-Y521 HydrophobicContact CG-CD1 4.21Å; S517-Y521 WeakPolarHBondContact O-CB 3.46Å; S517-Y521 PolarHBondContact O-N 2.98Å; L518-Y521 PolarHBondContact O-N 3.41Å; Y521-F523 VanDerWaalsContact C-N 3.28Å; Y521-F523 PolarHBondContact O-N 3.02Å; Y521-S524 PolarHBondContact O-N 3.16Å; Y521-S524 VanDerWaalsContact O-N 3.12Å; Y521-Q525 HydrophobicContact CD1-CG 4.44Å; Y521-Q525 HydrophobicContact CE1-CG 4.04Å; Y521-Q525 HydrophobicContact CE2-CG 4.36Å; Y521-Q525 WeakPolarHBondContact O-CG 3.47Å; Y521-Q525 PolarHBondContact O-N 3.42Å
522N95.5Very high96.2Very high72 Ų7242.6 Ų42.639%0.38522%0.217SC..Hα-helixtrans-59.5-41179.3-73.7-21.9000111.5L518 Q525 N526L518-N522 WeakPolarHBondContact CD1-ND2 3.17Å; L518-N522 WeakPolarHBondContact O-CB 3.38Å; L518-N522 PolarHBondContact O-N 3Å; L518-N522 PolarHBondContact O-ND2 3.28Å; N522-Q525 PolarHBondContact O-N 2.95Å; N522-N526 PolarHBondContact O-N 3.41Å; N522-N526 PolarHBondContact O-ND2 3.34Å
523F97.1Very high96.2Very high16 Ų1642.6 Ų42.67%0.0722%0.217CC..Hα-helixtrans-60.8-47.8175.5-179.9-86.2000111.4L476 A480 A519 Y521 Q525 N526 F527 L529 V531L476-F523 HydrophobicContact CB-CD1 4.33Å; L476-F523 HydrophobicContact CB-CD2 3.75Å; L476-F523 HydrophobicContact CB-CE1 4.24Å; L476-F523 HydrophobicContact CB-CE2 3.66Å; L476-F523 HydrophobicContact CB-CG 4.1Å; L476-F523 HydrophobicContact CB-CZ 3.91Å; L476-F523 HydrophobicContact CD1-CB 4.21Å; L476-F523 HydrophobicContact CD1-CD1 4.21Å; L476-F523 HydrophobicContact CD1-CD2 4.43Å; L476-F523 HydrophobicContact CD1-CG 4.02Å; L476-F523 WeakPolarHBondContact O-CZ 3.33Å; A480-F523 HydrophobicContact CB-CE2 4.37Å; A480-F523 HydrophobicContact CB-CZ 3.86Å; A519-F523 WeakPolarHBondContact O-CB 3.47Å; A519-F523 PolarHBondContact O-N 2.71Å; Y521-F523 VanDerWaalsContact C-N 3.28Å; Y521-F523 PolarHBondContact O-N 3.02Å; F523-Q525 PolarHBondContact O-N 3.24Å; F523-N526 PolarHBondContact O-N 3.39Å; F523-N526 VanDerWaalsContact O-N 3.11Å; F523-F527 HydrophobicContact CD1-CB 4.47Å; F523-F527 HydrophobicContact CD1-CD2 4.44Å; F523-F527 AromaticContact CD2-CD2 3.51Å; F523-F527 HydrophobicContact CD2-CD2 3.51Å; F523-F527 AromaticContact CD2-CE2 3.83Å; F523-F527 HydrophobicContact CD2-CE2 3.83Å; F523-F527 HydrophobicContact CD2-CG 4.33Å; F523-F527 HydrophobicContact CE1-CB 4.03Å; F523-F527 HydrophobicContact CE1-CD2 4.41Å; F523-F527 HydrophobicContact CE1-CG 4.42Å; F523-F527 HydrophobicContact CE2-CB 4.39Å; F523-F527 AromaticContact CE2-CD2 3.47Å; F523-F527 HydrophobicContact CE2-CD2 3.47Å; F523-F527 VanDerWaalsContact CE2-CD2 3.47Å; F523-F527 AromaticContact CE2-CE2 3.82Å; F523-F527 HydrophobicContact CE2-CE2 3.82Å; F523-F527 AromaticContact CE2-CG 3.89Å; F523-F527 HydrophobicContact CE2-CG 3.89Å; F523-F527 HydrophobicContact CE2-CZ 4.49Å; F523-F527 HydrophobicContact CG-CD2 4.01Å; F523-F527 HydrophobicContact CZ-CB 3.98Å; F523-F527 AromaticContact CZ-CD2 3.95Å; F523-F527 HydrophobicContact CZ-CD2 3.95Å; F523-F527 AromaticContact CZ-CG 3.94Å; F523-F527 HydrophobicContact CZ-CG 3.94Å; F523-F527 WeakPolarHBondContact O-CD2 3.4Å; F523-F527 PolarHBondContact O-N 3.06Å; F523-L529 HydrophobicContact CE1-CB 3.97Å; F523-L529 HydrophobicContact CE1-CD2 3.97Å; F523-L529 HydrophobicContact CE1-CG 4.12Å; F523-L529 HydrophobicContact CZ-CB 4.44Å; F523-L529 HydrophobicContact CZ-CD2 4.09Å; F523-V531 HydrophobicContact CD1-CG2 3.52Å; F523-V531 HydrophobicContact CE1-CG2 3.63Å
524S95.2Very high96.2Very high34 Ų3442.5 Ų42.524%0.23822%0.216CC..Hα-helixtrans-67.6-20.7-179.1-57.30000113.8V520 Y521 V531V520-S524 WeakPolarHBondContact O-CB 3.38Å; V520-S524 PolarHBondContact O-N 3.48Å; V520-S524 PolarHBondContact O-OG 2.86Å; Y521-S524 PolarHBondContact O-N 3.16Å; Y521-S524 VanDerWaalsContact O-N 3.12Å; S524-V531 PolarHBondContact OG-N 2.56Å; S524-V531 VanDerWaalsContact OG-N 3.12Å
525Q93.3Very high96.2Very high125 Ų12542.2 Ų42.258%0.58422%0.215SC*.Hα-helixtrans-78.4-34.3171.8-66.4-55.5-44.600112.4Y521 N522 F523Y521-Q525 HydrophobicContact CD1-CG 4.44Å; Y521-Q525 HydrophobicContact CE1-CG 4.04Å; Y521-Q525 HydrophobicContact CE2-CG 4.36Å; Y521-Q525 WeakPolarHBondContact O-CG 3.47Å; Y521-Q525 PolarHBondContact O-N 3.42Å; N522-Q525 PolarHBondContact O-N 2.95Å; F523-Q525 PolarHBondContact O-N 3.24Å
526N93.5Very high96.2Very high122 Ų12241.2 Ų41.265%0.65221%0.211SC*.Hα-helixtrans-93.6-18.5-173.9-70.3-60.7000113.6N522 F523N522-N526 PolarHBondContact O-N 3.41Å; N522-N526 PolarHBondContact O-ND2 3.34Å; F523-N526 PolarHBondContact O-N 3.39Å; F523-N526 VanDerWaalsContact O-N 3.11Å
527F92.2Very high96.2Very high93 Ų9341.7 Ų41.741%0.40822%0.215SC..SBendtrans-124.7147.1-179.6-64.8-86.8000110.7F523 L529F523-F527 HydrophobicContact CD1-CB 4.47Å; F523-F527 HydrophobicContact CD1-CD2 4.44Å; F523-F527 AromaticContact CD2-CD2 3.51Å; F523-F527 HydrophobicContact CD2-CD2 3.51Å; F523-F527 AromaticContact CD2-CE2 3.83Å; F523-F527 HydrophobicContact CD2-CE2 3.83Å; F523-F527 HydrophobicContact CD2-CG 4.33Å; F523-F527 HydrophobicContact CE1-CB 4.03Å; F523-F527 HydrophobicContact CE1-CD2 4.41Å; F523-F527 HydrophobicContact CE1-CG 4.42Å; F523-F527 HydrophobicContact CE2-CB 4.39Å; F523-F527 AromaticContact CE2-CD2 3.47Å; F523-F527 HydrophobicContact CE2-CD2 3.47Å; F523-F527 VanDerWaalsContact CE2-CD2 3.47Å; F523-F527 AromaticContact CE2-CE2 3.82Å; F523-F527 HydrophobicContact CE2-CE2 3.82Å; F523-F527 AromaticContact CE2-CG 3.89Å; F523-F527 HydrophobicContact CE2-CG 3.89Å; F523-F527 HydrophobicContact CE2-CZ 4.49Å; F523-F527 HydrophobicContact CG-CD2 4.01Å; F523-F527 HydrophobicContact CZ-CB 3.98Å; F523-F527 AromaticContact CZ-CD2 3.95Å; F523-F527 HydrophobicContact CZ-CD2 3.95Å; F523-F527 AromaticContact CZ-CG 3.94Å; F523-F527 HydrophobicContact CZ-CG 3.94Å; F523-F527 WeakPolarHBondContact O-CD2 3.4Å; F523-F527 PolarHBondContact O-N 3.06Å; F527-L529 PolarHBondContact O-N 2.91Å; F527-L529 VanDerWaalsContact O-N 3.13Å
528P90.4Very high96.2Very high130 Ų13042.7 Ų42.784%0.84422%0.22SC*.SBendtrans-66.3-14.4176.428.1-35.7000113.2K530P528-K530 PolarHBondContact O-N 3.37Å
529L93.5Very high96.2Very high10 Ų1042.4 Ų42.45%0.05222%0.218CC..SBendtrans-75.6113.3179.2-178.961000110.1A480 L501 Q502 V504 F523 F527 V531A480-L529 HydrophobicContact CB-CD2 4.35Å; L501-L529 HydrophobicContact CD2-CD1 4.14Å; L501-L529 HydrophobicContact CD2-CD2 4.09Å; L501-L529 HydrophobicContact CG-CD1 3.72Å; Q502-L529 VanDerWaalsContact C-CD1 3.42Å; V504-L529 HydrophobicContact CG2-CD1 4.04Å; V504-L529 HydrophobicContact CG2-CD2 3.86Å; V504-L529 HydrophobicContact CG2-CG 4.19Å; F523-L529 HydrophobicContact CE1-CB 3.97Å; F523-L529 HydrophobicContact CE1-CD2 3.97Å; F523-L529 HydrophobicContact CE1-CG 4.12Å; F523-L529 HydrophobicContact CZ-CB 4.44Å; F523-L529 HydrophobicContact CZ-CD2 4.09Å; F527-L529 PolarHBondContact O-N 2.91Å; F527-L529 VanDerWaalsContact O-N 3.13Å; L529-V531 HydrophobicContact CG-CG2 4.43Å
530K94.7Very high96.3Very high137 Ų13742.8 Ų42.860%0.59622%0.218SC*.EExtended strand (participates in β ladder)trans-76.8136.7176.7-67-178.7-177.6176.90110.3Q502 E503 V504 P528Q502-K530 PolarHBondContact O-N 2.88Å; Q502-K530 VanDerWaalsContact O-N 3.13Å; E503-K530 CarbonylContact C-O 3.6Å; E503-K530 VanDerWaalsContact CA-O 3.25Å; E503-K530 WeakPolarHBondContact CA-O 3.48Å; E503-K530 HydrophobicContact CG-CB 4.19Å; V504-K530 PolarHBondContact N-O 3.27Å; P528-K530 PolarHBondContact O-N 3.37Å
531V97.8Very high96.2Very high4 Ų442.8 Ų42.82%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-125.3133.5-179.7-173.80000110.7L476 V504 V506 V520 F523 S524 L529L476-V531 HydrophobicContact CD1-CG1 4.13Å; L476-V531 HydrophobicContact CD1-CG2 4.35Å; L476-V531 HydrophobicContact CD2-CG1 3.85Å; L476-V531 HydrophobicContact CD2-CG2 3.96Å; V504-V531 HydrophobicContact CB-CG2 4.43Å; V504-V531 CarbonylContact O-C 3.51Å; V504-V531 VanDerWaalsContact O-CA 3.29Å; V504-V531 WeakPolarHBondContact O-CA 3.36Å; V506-V531 HydrophobicContact CG2-CG1 4.15Å; V520-V531 HydrophobicContact CB-CG1 4.39Å; V520-V531 HydrophobicContact CG1-CB 3.9Å; V520-V531 HydrophobicContact CG1-CG1 3.81Å; V520-V531 WeakPolarHBondContact CG1-O 3.45Å; V520-V531 HydrophobicContact CG2-CG1 3.9Å; F523-V531 HydrophobicContact CD1-CG2 3.52Å; F523-V531 HydrophobicContact CE1-CG2 3.63Å; S524-V531 PolarHBondContact OG-N 2.56Å; S524-V531 VanDerWaalsContact OG-N 3.12Å; L529-V531 HydrophobicContact CG-CG2 4.43Å
532I98.4Very high96.3Very high12 Ų1245.5 Ų45.56%0.06223%0.228CC..EExtended strand (participates in β ladder)trans-112.8131.7170.5-64.3176.2000107.6L3 H136 F138 L170 V504 I505 V506L3-I532 HydrophobicContact CD1-CG2 3.65Å; L3-I532 HydrophobicContact CD2-CG2 4.42Å; L3-I532 HydrophobicContact CG-CG2 4.28Å; H136-I532 CarbonylContact O-C 3.58Å; H136-I532 WeakPolarHBondContact O-CA 3.43Å; F138-I532 HydrophobicContact CD1-CG2 3.97Å; F138-I532 HydrophobicContact CE1-CG2 4.03Å; L170-I532 HydrophobicContact CD1-CD1 3.52Å; V504-I532 PolarHBondContact O-N 2.69Å; I505-I532 CarbonylContact C-O 3.55Å; I505-I532 WeakPolarHBondContact CA-O 3.32Å; I505-I532 HydrophobicContact CG1-CB 4.31Å; I505-I532 HydrophobicContact CG1-CD1 4.46Å; I505-I532 HydrophobicContact CG2-CG2 4.49Å; V506-I532 PolarHBondContact N-O 3.44Å
533L98.8Very high96.4Very high0 Ų043.9 Ų43.90%022%0.222CC..EExtended strand (participates in β ladder)trans-105.2135.3175-177.761000110.6H136 L137 F138 L472 V506 I508 A512 E516 V520H136-L533 PolarHBondContact O-N 2.94Å; L137-L533 VanDerWaalsContact CA-O 3.31Å; L137-L533 WeakPolarHBondContact CA-O 3.28Å; L137-L533 HydrophobicContact CD1-CB 3.93Å; L137-L533 HydrophobicContact CD1-CD2 3.93Å; L137-L533 HydrophobicContact CD1-CG 3.9Å; F138-L533 WeakPolarHBondContact CD1-O 3.43Å; F138-L533 PolarHBondContact N-O 3.02Å; L472-L533 HydrophobicContact CD2-CD1 4.08Å; V506-L533 HydrophobicContact CB-CD1 4.15Å; V506-L533 HydrophobicContact CG1-CD1 4.15Å; V506-L533 CarbonylContact O-C 3.52Å; I508-L533 HydrophobicContact CD1-CD1 3.93Å; I508-L533 HydrophobicContact CG1-CD1 4.09Å; A512-L533 HydrophobicContact CB-CD1 4.3Å; A512-L533 HydrophobicContact CB-CD2 4.05Å; A512-L533 HydrophobicContact CB-CG 4.19Å; E516-L533 HydrophobicContact CB-CD2 3.75Å; V520-L533 HydrophobicContact CG1-CB 4.32Å; V520-L533 HydrophobicContact CG2-CB 4.04Å; V520-L533 HydrophobicContact CG2-CD2 4.27Å
534G98.6Very high96.5Very high0 Ų043.1 Ų43.10%022%0.219CC..EExtended strand (participates in β ladder)trans-130.8148.2171.300000110.9F138 V506 F507 I508F138-G534 VanDerWaalsContact CZ-CA 3.49Å; F138-G534 WeakPolarHBondContact O-CA 3.47Å; V506-G534 PolarHBondContact O-N 2.94Å; F507-G534 CarbonylContact C-O 3.45Å; F507-G534 VanDerWaalsContact CA-O 3.32Å; F507-G534 WeakPolarHBondContact CA-O 3.18Å; I508-G534 PolarHBondContact N-O 3.23Å
535G98.1Very high96.6Very high0 Ų041.5 Ų41.50%021%0.207CC..EExtended strand (participates in β ladder)trans-141.8163.5170.500000112.1F138 T139 V140 I508 A537F138-G535 PolarHBondContact O-N 3.19Å; T139-G535 WeakPolarHBondContact CA-O 3.47Å; V140-G535 PolarHBondContact N-O 3.25Å; I508-G535 VanDerWaalsContact O-CA 3.26Å; I508-G535 WeakPolarHBondContact O-CA 3.19Å; G535-A537 VanDerWaalsContact C-N 3.27Å
536T97.7Very high96.8Very high1 Ų137.9 Ų37.91%0.00619%0.19CC..SBendtrans-65.6-36.4169.851.20000111.1T139 N141 L142 C145 F507 I508 F509 G510 G511T139-T536 PolarHBondContact OG1-O 3.17Å; N141-T536 PolarHBondContact N-O 3.06Å; N141-T536 VanDerWaalsContact N-O 3.08Å; L142-T536 CarbonylContact C-O 3.46Å; L142-T536 PolarHBondContact N-O 3.16Å; L142-T536 CarbonylContact O-C 3.47Å; L142-T536 WeakPolarHBondContact O-CB 3.36Å; C145-T536 VanDerWaalsContact SG-CB 3.51Å; F507-T536 HydrophobicContact CE1-CG2 4.24Å; F507-T536 HydrophobicContact CZ-CG2 3.74Å; I508-T536 PolarHBondContact O-N 2.96Å; F509-T536 HydrophobicContact CB-CG2 4.43Å; F509-T536 HydrophobicContact CD2-CG2 3.52Å; F509-T536 HydrophobicContact CE2-CG2 3.92Å; F509-T536 HydrophobicContact CG-CG2 3.96Å; G510-T536 WeakPolarHBondContact CA-OG1 3.35Å; G510-T536 PolarHBondContact N-OG1 3.33Å; G511-T536 PolarHBondContact N-OG1 2.66Å
537A97.5Very high97Very high10 Ų1032.1 Ų32.18%0.08316%0.16CC..SBendtrans-142.7169.5172.900000110.9G511 A512 G535G511-A537 CarbonylContact C-O 3.3Å; G511-A537 WeakPolarHBondContact CA-O 3.32Å; A512-A537 PolarHBondContact N-O 3.41Å; G535-A537 VanDerWaalsContact C-N 3.27Å
538M98.3Very high97.3Very high22 Ų2227.7 Ų27.711%0.10814%0.14CC..BIsolated β-bridgetrans-103.6119165.2-63.3-54.6-60.300108.5L133 L137 H240 A512 T513 Y514L133-M538 HydrophobicContact CD1-CG 3.56Å; L133-M538 HydrophobicContact CD1-SD 4.21Å; L137-M538 HydrophobicContact CD1-CE 4.17Å; L137-M538 HydrophobicContact CD1-SD 4.03Å; L137-M538 HydrophobicContact CD2-CE 3.97Å; L137-M538 HydrophobicContact CD2-SD 4.25Å; L137-M538 HydrophobicContact CG-SD 4.43Å; H240-M538 PolarHBondContact NE2-O 3.27Å; A512-M538 HydrophobicContact CB-CE 4.36Å; A512-M538 HydrophobicContact CB-SD 4.14Å; A512-M538 CarbonylContact O-C 3.52Å; A512-M538 WeakPolarHBondContact O-CA 3.48Å; T513-M538 WeakPolarHBondContact O-CE 3.39Å; Y514-M538 HydrophobicContact CD1-CE 4.03Å; Y514-M538 HydrophobicContact CD2-CE 4.23Å; Y514-M538 HydrophobicContact CE1-CE 4.22Å; Y514-M538 HydrophobicContact CE2-CB 4.3Å; Y514-M538 HydrophobicContact CE2-CE 4.4Å; Y514-M538 HydrophobicContact CG-CE 4.07Å
539H98.4Very high97.6Very high7 Ų722.4 Ų22.43%0.03211%0.105CC..  trans-99.2138.2-176.7-71.9-60.8000112.6H240 G510 A512 S543 F544 E547H240-H539 VanDerWaalsContact NE2-C 3.3Å; G510-H539 PolarHBondContact O-CD2 2.9Å; G510-H539 PolarHBondContact O-NE2 2.91Å; A512-H539 PolarHBondContact O-N 3.02Å; H539-S543 WeakPolarHBondContact CA-OG 3.35Å; H539-S543 PolarHBondContact ND1-OG 3.33Å; H539-F544 HydrophobicContact CB-CB 4.12Å; H539-E547 IonicContact CE1-OE2 3.03Å
540N98.1Very high97.7Very high21 Ų2124 Ų2411%0.11211%0.113CC..  trans-104.1174.8152.56115.5000110H240 E241 R542 S543 F544H240-N540 PolarHBondContact NE2-N 2.7Å; H240-N540 WeakPolarHBondContact O-CB 3.47Å; H240-N540 PolarHBondContact O-ND2 2.79Å; E241-N540 WeakPolarHBondContact OE2-CA 3.39Å; E241-N540 VanDerWaalsContact OE2-CB 3.28Å; E241-N540 WeakPolarHBondContact OE2-CB 3.3Å; N540-R542 VanDerWaalsContact C-N 3.3Å; N540-R542 PolarHBondContact O-N 2.61Å; N540-R542 PolarHBondContact OD1-N 3.28Å; N540-S543 PolarHBondContact N-OG 3.21Å; N540-S543 PolarHBondContact O-N 3.32Å; N540-S543 PolarHBondContact O-OG 3.07Å; N540-S543 VanDerWaalsContact O-OG 3.12Å; N540-S543 WeakPolarHBondContact OD1-CB 3.32Å; N540-S543 PolarHBondContact OD1-N 3.46Å; N540-S543 PolarHBondContact OD1-OG 3.17Å; N540-F544 WeakPolarHBondContact O-CB 3.26Å; N540-F544 PolarHBondContact O-N 2.98Å
541G98Very high97.7Very high0 Ų017.5 Ų17.50%09%0.085CC..Hα-helixtrans-52.2-45.3-179.600000113.4P228 E241 I545P228-G541 WeakPolarHBondContact O-CA 3.47Å; P228-G541 PolarHBondContact O-N 3.38Å; E241-G541 PolarHBondContact OE1-N 2.61Å; E241-G541 PolarHBondContact OE2-N 2.87Å; G541-I545 VanDerWaalsContact O-CG1 3.24Å; G541-I545 WeakPolarHBondContact O-CG1 3.46Å; G541-I545 PolarHBondContact O-N 3.02Å; G541-I545 VanDerWaalsContact O-N 3.09Å
542R97.6Very high97.5Very high139 Ų13917.6 Ų17.653%0.5259%0.086SC..Hα-helixtrans-62.8-53.9178.7-174.4-179.5-66.1-132.4-0.9112.5L384 N540 F544 I545 E546L384-R542 HydrophobicContact CD1-CB 4.43Å; L384-R542 HydrophobicContact CD2-CB 3.93Å; N540-R542 VanDerWaalsContact C-N 3.3Å; N540-R542 PolarHBondContact O-N 2.61Å; N540-R542 PolarHBondContact OD1-N 3.28Å; R542-F544 VanDerWaalsContact C-N 3.28Å; R542-F544 PolarHBondContact O-N 3.26Å; R542-I545 PolarHBondContact O-N 3.47Å; R542-E546 WeakPolarHBondContact O-CG 3.34Å; R542-E546 PolarHBondContact O-N 3.34Å
543S97.9Very high97Very high38 Ų3822.6 Ų22.627%0.26611%0.109SC..Hα-helixtrans-67.1-30.8-176.257.10000112.4H539 N540 E547H539-S543 WeakPolarHBondContact CA-OG 3.35Å; H539-S543 PolarHBondContact ND1-OG 3.33Å; N540-S543 PolarHBondContact N-OG 3.21Å; N540-S543 PolarHBondContact O-N 3.32Å; N540-S543 PolarHBondContact O-OG 3.07Å; N540-S543 VanDerWaalsContact O-OG 3.12Å; N540-S543 WeakPolarHBondContact OD1-CB 3.32Å; N540-S543 PolarHBondContact OD1-N 3.46Å; N540-S543 PolarHBondContact OD1-OG 3.17Å; S543-E547 PolarHBondContact O-N 3.01Å
544F98.4Very high96Very high0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-66.9-42.8172.2179.5-113000112.1R221 A225 P228 L229 V428 F431 H539 N540 R542 E546 E547 V548R221-F544 HydrophobicContact CG-CD2 4.39Å; R221-F544 HydrophobicContact CG-CE2 3.74Å; A225-F544 HydrophobicContact CB-CE1 4.36Å; A225-F544 HydrophobicContact CB-CZ 3.89Å; A225-F544 WeakPolarHBondContact O-CE1 3.41Å; P228-F544 HydrophobicContact CB-CB 3.76Å; P228-F544 HydrophobicContact CB-CD1 3.78Å; P228-F544 HydrophobicContact CB-CD2 3.92Å; P228-F544 HydrophobicContact CB-CE1 4.36Å; P228-F544 HydrophobicContact CB-CE2 4.5Å; P228-F544 HydrophobicContact CB-CG 3.52Å; P228-F544 HydrophobicContact CG-CB 4.33Å; P228-F544 HydrophobicContact CG-CD1 3.5Å; P228-F544 VanDerWaalsContact CG-CD1 3.5Å; P228-F544 HydrophobicContact CG-CD2 3.65Å; P228-F544 HydrophobicContact CG-CE1 3.57Å; P228-F544 HydrophobicContact CG-CE2 3.73Å; P228-F544 HydrophobicContact CG-CG 3.53Å; P228-F544 HydrophobicContact CG-CZ 3.68Å; L229-F544 HydrophobicContact CD1-CE1 4.35Å; L229-F544 HydrophobicContact CD2-CD1 3.73Å; L229-F544 HydrophobicContact CD2-CE1 4.03Å; L229-F544 HydrophobicContact CG-CD1 3.92Å; L229-F544 HydrophobicContact CG-CE1 3.88Å; V428-F544 HydrophobicContact CG2-CE1 4.33Å; F431-F544 HydrophobicContact CD1-CZ 4.31Å; F431-F544 AromaticContact CE1-CE2 3.89Å; F431-F544 HydrophobicContact CE1-CE2 3.89Å; F431-F544 HydrophobicContact CE1-CZ 4.03Å; H539-F544 HydrophobicContact CB-CB 4.12Å; N540-F544 WeakPolarHBondContact O-CB 3.26Å; N540-F544 PolarHBondContact O-N 2.98Å; R542-F544 VanDerWaalsContact C-N 3.28Å; R542-F544 PolarHBondContact O-N 3.26Å; F544-E546 VanDerWaalsContact C-N 3.31Å; F544-E546 PolarHBondContact O-N 2.91Å; F544-E547 WeakPolarHBondContact O-CB 3.42Å; F544-E547 PolarHBondContact O-N 3.3Å; F544-E547 VanDerWaalsContact O-N 3.15Å; F544-V548 HydrophobicContact CD1-CG2 4.34Å; F544-V548 HydrophobicContact CD2-CG2 4.41Å; F544-V548 HydrophobicContact CE1-CG2 3.89Å; F544-V548 HydrophobicContact CE2-CG2 3.96Å; F544-V548 HydrophobicContact CZ-CG2 3.68Å; F544-V548 WeakPolarHBondContact O-CG2 3.35Å; F544-V548 PolarHBondContact O-N 3.45Å
545I98.3Very high94.6Very high0 Ų025.3 Ų25.30%014%0.136CC..Hα-helixtrans-61.1-42.6175.5-69.5171.8000111.1L229 L384 T387 R388 M391 Y421 A424 G541 R542 E547 V548 I549L229-I545 HydrophobicContact CD2-CD1 4.35Å; L229-I545 HydrophobicContact CD2-CG1 3.99Å; L384-I545 HydrophobicContact CD1-CD1 3.63Å; T387-I545 HydrophobicContact CG2-CD1 4.43Å; R388-I545 HydrophobicContact CG-CD1 3.75Å; M391-I545 HydrophobicContact CE-CB 4.48Å; M391-I545 HydrophobicContact CE-CD1 4.22Å; M391-I545 HydrophobicContact CE-CG1 3.92Å; M391-I545 HydrophobicContact CE-CG2 3.93Å; M391-I545 HydrophobicContact SD-CD1 3.82Å; M391-I545 HydrophobicContact SD-CG1 3.69Å; Y421-I545 HydrophobicContact CD1-CG2 3.78Å; Y421-I545 HydrophobicContact CE1-CG2 4Å; A424-I545 HydrophobicContact CB-CG2 4.23Å; G541-I545 VanDerWaalsContact O-CG1 3.24Å; G541-I545 WeakPolarHBondContact O-CG1 3.46Å; G541-I545 PolarHBondContact O-N 3.02Å; G541-I545 VanDerWaalsContact O-N 3.09Å; R542-I545 PolarHBondContact O-N 3.47Å; I545-E547 VanDerWaalsContact C-N 3.32Å; I545-E547 PolarHBondContact O-N 3.08Å; I545-V548 PolarHBondContact O-N 3.18Å; I545-I549 HydrophobicContact CG2-CD1 3.78Å; I545-I549 HydrophobicContact CG2-CG1 4.41Å; I545-I549 VanDerWaalsContact O-CG1 3.26Å; I545-I549 WeakPolarHBondContact O-CG1 3.47Å; I545-I549 PolarHBondContact O-N 3.35Å
546E97.7Very high92.5Very high49 Ų4929.1 Ų29.123%0.22916%0.163CC..Hα-helixtrans-64.5-36.2175.5-62.2-64.6158.300112F144 K420 Y421 R542 F544 N550F144-E546 HydrophobicContact CE1-CB 4.14Å; F144-E546 HydrophobicContact CZ-CB 4.49Å; K420-E546 IonicContact NZ-OE1 2.62Å; K420-E546 PolarHBondContact NZ-OE1 3.32Å; K420-E546 IonicContact NZ-OE2 2.87Å; K420-E546 PolarHBondContact NZ-OE2 3.02Å; Y421-E546 WeakPolarHBondContact CE1-OE1 3.3Å; Y421-E546 PolarHBondContact OH-OE1 2.62Å; R542-E546 WeakPolarHBondContact O-CG 3.34Å; R542-E546 PolarHBondContact O-N 3.34Å; F544-E546 VanDerWaalsContact C-N 3.31Å; F544-E546 PolarHBondContact O-N 2.91Å; E546-N550 WeakPolarHBondContact O-CB 3.33Å; E546-N550 PolarHBondContact O-N 3.23Å
547E97Very high90.1Very high1 Ų132.8 Ų32.81%0.00519%0.193CC..Hα-helixtrans-61.1-47.7172.6-172.572.7-155.200111.2F144 C145 Y146 H539 S543 F544 I545 N550 A551F144-E547 WeakPolarHBondContact CA-OE1 3.4Å; F144-E547 VanDerWaalsContact CA-OE2 3.28Å; F144-E547 WeakPolarHBondContact CA-OE2 3.35Å; F144-E547 PolarHBondContact N-OE1 3.32Å; F144-E547 PolarHBondContact N-OE2 3.45Å; C145-E547 PolarHBondContact N-OE1 3.25Å; Y146-E547 HydrophobicContact CD2-CG 4.24Å; Y146-E547 VanDerWaalsContact CD2-OE1 3.3Å; Y146-E547 WeakPolarHBondContact CD2-OE1 3.41Å; Y146-E547 HydrophobicContact CE2-CG 4.37Å; H539-E547 IonicContact CE1-OE2 3.03Å; S543-E547 PolarHBondContact O-N 3.01Å; F544-E547 WeakPolarHBondContact O-CB 3.42Å; F544-E547 PolarHBondContact O-N 3.3Å; F544-E547 VanDerWaalsContact O-N 3.15Å; I545-E547 VanDerWaalsContact C-N 3.32Å; I545-E547 PolarHBondContact O-N 3.08Å; E547-N550 PolarHBondContact O-N 3.15Å; E547-A551 VanDerWaalsContact O-CB 3.3Å; E547-A551 WeakPolarHBondContact O-CB 3.37Å; E547-A551 PolarHBondContact O-N 2.84Å
548V97.5Very high87.4Confident1 Ų137.9 Ų37.91%0.00622%0.218CC..Hα-helixtrans-60.9-47.5178.7168.50000110.9D427 V428 F431 F544 I545 N550 A551 T552D427-V548 HydrophobicContact CB-CG1 3.72Å; V428-V548 HydrophobicContact CB-CG1 4.05Å; V428-V548 HydrophobicContact CG2-CG1 4.47Å; V428-V548 HydrophobicContact CG2-CG2 4.38Å; F431-V548 HydrophobicContact CB-CG1 4.2Å; F431-V548 HydrophobicContact CB-CG2 4.48Å; F431-V548 HydrophobicContact CD1-CG2 3.86Å; F431-V548 HydrophobicContact CE1-CG2 4.22Å; F431-V548 HydrophobicContact CG-CG2 4.07Å; F544-V548 HydrophobicContact CD1-CG2 4.34Å; F544-V548 HydrophobicContact CD2-CG2 4.41Å; F544-V548 HydrophobicContact CE1-CG2 3.89Å; F544-V548 HydrophobicContact CE2-CG2 3.96Å; F544-V548 HydrophobicContact CZ-CG2 3.68Å; F544-V548 WeakPolarHBondContact O-CG2 3.35Å; F544-V548 PolarHBondContact O-N 3.45Å; I545-V548 PolarHBondContact O-N 3.18Å; V548-N550 VanDerWaalsContact C-N 3.29Å; V548-N550 PolarHBondContact O-N 3.49Å; V548-A551 PolarHBondContact O-N 2.73Å; V548-T552 PolarHBondContact O-N 3.09Å; V548-T552 VanDerWaalsContact O-N 3.13Å; V548-T552 PolarHBondContact O-OG1 2.99Å
549I96.9Very high84.4Confident18 Ų1838.1 Ų38.19%0.09223%0.226CC..Hα-helixtrans-58.1-44.5176.4-70.1165.4000110.4K420 Y421 A424 I545 T552 Q553K420-I549 HydrophobicContact CB-CD1 4.39Å; Y421-I549 HydrophobicContact CD1-CD1 4.26Å; A424-I549 HydrophobicContact CB-CD1 3.87Å; A424-I549 HydrophobicContact CB-CG1 3.55Å; I545-I549 HydrophobicContact CG2-CD1 3.78Å; I545-I549 HydrophobicContact CG2-CG1 4.41Å; I545-I549 VanDerWaalsContact O-CG1 3.26Å; I545-I549 WeakPolarHBondContact O-CG1 3.47Å; I545-I549 PolarHBondContact O-N 3.35Å; I549-T552 PolarHBondContact O-OG1 3.24Å; I549-Q553 WeakPolarHBondContact O-CG 3.37Å; I549-Q553 PolarHBondContact O-N 3.18Å
550N95.3Very high81.4Confident44 Ų4440.3 Ų40.324%0.23525%0.245CC..Hα-helixtrans-67.2-40.2178.7-177-103.8000112F144 Y146 E546 E547 V548 T552 Q553F144-N550 WeakPolarHBondContact CB-OD1 3.46Å; F144-N550 HydrophobicContact CD1-CB 3.67Å; F144-N550 HydrophobicContact CE1-CB 4.27Å; Y146-N550 PolarHBondContact O-OD1 3.14Å; E546-N550 WeakPolarHBondContact O-CB 3.33Å; E546-N550 PolarHBondContact O-N 3.23Å; E547-N550 PolarHBondContact O-N 3.15Å; V548-N550 VanDerWaalsContact C-N 3.29Å; V548-N550 PolarHBondContact O-N 3.49Å; N550-T552 VanDerWaalsContact C-N 3.31Å; N550-T552 PolarHBondContact O-N 2.76Å; N550-Q553 WeakPolarHBondContact O-CB 3.41Å; N550-Q553 PolarHBondContact O-N 3.28Å
551A95.3Very high78.5Confident0 Ų042.5 Ų42.50%027%0.266CS..Hα-helixtrans-61.6-36.7-179.400000112.8Y146 G148 L149 F431 E547 V548Y146-A551 VanDerWaalsContact CB-CB 3.41Å; Y146-A551 HydrophobicContact CD2-CB 4.13Å; Y146-A551 HydrophobicContact CG-CB 3.89Å; G148-A551 CarbonylContact C-O 3.36Å; G148-A551 PolarHBondContact N-O 2.87Å; L149-A551 HydrophobicContact CD2-CB 4.41Å; L149-A551 PolarHBondContact N-O 3.4Å; F431-A551 HydrophobicContact CD2-CB 3.71Å; F431-A551 HydrophobicContact CE2-CB 3.8Å; E547-A551 VanDerWaalsContact O-CB 3.3Å; E547-A551 WeakPolarHBondContact O-CB 3.37Å; E547-A551 PolarHBondContact O-N 2.84Å; V548-A551 PolarHBondContact O-N 2.73Å
552T94.2Very high75.5Confident6 Ų652.2 Ų52.24%0.03730%0.303CS..Hα-helixtrans-88.4-7.7-178.8600000114L149 D427 V548 I549 N550 G554 A555L149-T552 HydrophobicContact CD2-CG2 3.82Å; L149-T552 HydrophobicContact CG-CG2 4.39Å; D427-T552 HydrophobicContact CB-CG2 3.68Å; D427-T552 WeakPolarHBondContact CB-OG1 3.32Å; D427-T552 WeakPolarHBondContact OD1-CB 3.48Å; D427-T552 PolarHBondContact OD1-OG1 3.47Å; V548-T552 PolarHBondContact O-N 3.09Å; V548-T552 VanDerWaalsContact O-N 3.13Å; V548-T552 PolarHBondContact O-OG1 2.99Å; I549-T552 PolarHBondContact O-OG1 3.24Å; N550-T552 VanDerWaalsContact C-N 3.31Å; N550-T552 PolarHBondContact O-N 2.76Å; T552-G554 PolarHBondContact O-N 3.19Å; T552-A555 WeakPolarHBondContact O-CB 3.33Å; T552-A555 PolarHBondContact O-N 2.99Å; T552-A555 VanDerWaalsContact O-N 3.07Å
553Q88.5Confident72.5Confident117 Ų11752.6 Ų52.655%0.54731%0.31SS..THydrogen-bonded Turntrans-58.1125.2173.2-78.7170.523.100110.6I549 N550 A555I549-Q553 WeakPolarHBondContact O-CG 3.37Å; I549-Q553 PolarHBondContact O-N 3.18Å; N550-Q553 WeakPolarHBondContact O-CB 3.41Å; N550-Q553 PolarHBondContact O-N 3.28Å; Q553-A555 VanDerWaalsContact C-N 3.28Å; Q553-A555 PolarHBondContact O-N 3.48Å
554G76.6Confident69.5Low50 Ų5058.5 Ų58.552%0.51533%0.333SS..THydrogen-bonded Turntrans83-13.8-178.800000115.6T552 S556 A557T552-G554 PolarHBondContact O-N 3.19Å; G554-S556 VanDerWaalsContact C-N 3.32Å; G554-S556 PolarHBondContact O-N 2.75Å; G554-A557 PolarHBondContact O-N 3.11Å
555A70.3Confident66.3Low7 Ų766.3 Ų66.36%0.05837%0.374CS..Hα-helixtrans-66.1-35.6177.200000112L149 T552 Q553 A557 I558 G559L149-A555 HydrophobicContact CD1-CB 3.88Å; L149-A555 HydrophobicContact CG-CB 4.08Å; T552-A555 WeakPolarHBondContact O-CB 3.33Å; T552-A555 PolarHBondContact O-N 2.99Å; T552-A555 VanDerWaalsContact O-N 3.07Å; Q553-A555 VanDerWaalsContact C-N 3.28Å; Q553-A555 PolarHBondContact O-N 3.48Å; A555-A557 VanDerWaalsContact C-N 3.26Å; A555-A557 PolarHBondContact O-N 3.18Å; A555-I558 WeakPolarHBondContact O-CA 3.47Å; A555-I558 WeakPolarHBondContact O-CB 3.49Å; A555-I558 PolarHBondContact O-N 3.39Å; A555-G559 PolarHBondContact O-N 2.98Å; A555-G559 VanDerWaalsContact O-N 3.08Å
556S53.7Low63.1Low81 Ų8173.3 Ų73.357%0.56642%0.423SS*.Hα-helixtrans-64.6-22.8179.8320000114.1G554 I558 G559 A560G554-S556 VanDerWaalsContact C-N 3.32Å; G554-S556 PolarHBondContact O-N 2.75Å; S556-I558 PolarHBondContact O-N 3.27Å; S556-G559 PolarHBondContact O-N 3.41Å; S556-A560 VanDerWaalsContact O-CB 3.28Å; S556-A560 WeakPolarHBondContact O-CB 3.48Å; S556-A560 PolarHBondContact O-N 3.45Å
557A47.1Very low61.4Low78 Ų7874.5 Ų74.565%0.64543%0.433SS*.Hα-helixtrans-67.1-28.2170.800000112.2G554 A555G554-A557 PolarHBondContact O-N 3.11Å; A555-A557 VanDerWaalsContact C-N 3.26Å; A555-A557 PolarHBondContact O-N 3.18Å
558I39.7Very low59.5Low117 Ų11778.4 Ų78.460%0.646%0.455SS*.Hα-helixtrans-86.3-34.3177.5-54.7174.3000110.3A555 S556A555-I558 WeakPolarHBondContact O-CA 3.47Å; A555-I558 WeakPolarHBondContact O-CB 3.49Å; A555-I558 PolarHBondContact O-N 3.39Å; S556-I558 PolarHBondContact O-N 3.27Å
559G36Very low57.4Low26 Ų2682.7 Ų82.727%0.26848%0.48SS..Hα-helixtrans-72.5-39.6176.600000114.6A555 S556 A561 R562 H563A555-G559 PolarHBondContact O-N 2.98Å; A555-G559 VanDerWaalsContact O-N 3.08Å; S556-G559 PolarHBondContact O-N 3.41Å; G559-A561 VanDerWaalsContact C-N 3.26Å; G559-A561 PolarHBondContact O-N 3.19Å; G559-R562 WeakPolarHBondContact O-CB 3.33Å; G559-R562 PolarHBondContact O-N 2.97Å; G559-H563 PolarHBondContact O-N 3.15Å
560A35.2Very low55.1Low54 Ų5486.5 Ų86.545%0.44650%0.503SS..Hα-helixtrans-64.7-30178.900000112.6S556 R562 H563 H564S556-A560 VanDerWaalsContact O-CB 3.28Å; S556-A560 WeakPolarHBondContact O-CB 3.48Å; S556-A560 PolarHBondContact O-N 3.45Å; A560-R562 PolarHBondContact O-N 3.35Å; A560-H563 PolarHBondContact O-N 3.47Å; A560-H564 PolarHBondContact O-CD2 2.9Å
561A37Very low52.6Low66 Ų6689.1 Ų89.155%0.54552%0.52SS..Hα-helixtrans-66.5-2417200000113G559G559-A561 VanDerWaalsContact C-N 3.26Å; G559-A561 PolarHBondContact O-N 3.19Å
562R34.6Very low49.7Very low204 Ų20495.1 Ų95.177%0.7755%0.554SS**Hα-helixtrans-86-30.1176.8-71.9-174.5173.6-173.7-1.5113.3G559 A560 H564G559-R562 WeakPolarHBondContact O-CB 3.33Å; G559-R562 PolarHBondContact O-N 2.97Å; A560-R562 PolarHBondContact O-N 3.35Å; R562-H564 VanDerWaalsContact C-N 3.35Å
563H34.9Very low46.5Very low147 Ų147101.4 Ų101.468%0.68159%0.591SS**Hα-helixtrans-80.7-9.3179.8-84.1-67.1000115G559 A560G559-H563 PolarHBondContact O-N 3.15Å; A560-H563 PolarHBondContact O-N 3.47Å
564H35.2Very low43.3Very low163 Ų163100.2 Ų100.276%0.75560%0.595SS**THydrogen-bonded Turntrans-93.91.7174.2-79.8-57000114.6A560 R562A560-H564 PolarHBondContact O-CD2 2.9Å; R562-H564 VanDerWaalsContact C-N 3.35Å
565L32.3Very low40.5Very low163 Ų163104.4 Ų104.485%0.85360%0.601SS**  trans-117.915.7175.9-72.1171.9000113.8
566S30.6Very low37.8Very low147 Ų147113.3 Ų113.3100%1.02865%0.651SS**  trans-121.1016463.20000108.8

Retrieved 566 of 566 residues in 452.2 ms (Link to these results)

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