A0A087YP56_POEFO Loading...

GTP:AMP phosphotransferase AK3, mitochondrial

Involved in maintaining the homeostasis of cellular nucleotides by catalyzing the interconversion of nucleoside phosphates. Has GTP:AMP phosphotransferase and ITP:AMP phosphotransferase activities.

AlphaFold DB , UniProt , Accession A0A087YP56, Species POEFO (Poecilia formosa, Amazon molly), Gene AK3, Length 223 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
1M41.2Very low76.8Confident230 Ų23079.4 Ų79.4100%1.13339%0.392SS*.  0111.90-111.3168.568.400106.6L3M1-L3 PolarHBondContact O-N 3.26Å
2V43.7Very low78.4Confident106 Ų10673.3 Ų73.364%0.64236%0.362SS*.  trans-69.2116.1172.8-177.60000106.1Q4 A223V2-Q4 PolarHBondContact O-N 3.16Å; V2-A223 HydrophobicContact CG1-CB 4.08Å
3L50.4Low79.5Confident149 Ų14968.1 Ų68.178%0.7834%0.338SS*.  trans-65.6106.7173.7-88154.7000107.2M1 R5M1-L3 PolarHBondContact O-N 3.26Å; L3-R5 PolarHBondContact O-N 3.05Å; L3-R5 VanDerWaalsContact O-N 3.16Å
4Q60.5Low80.3Confident168 Ų16864.1 Ų64.179%0.78532%0.32SS*.  trans-66.5115.7176-161.4174.15.300107.8V2 V6V2-Q4 PolarHBondContact O-N 3.16Å; Q4-V6 PolarHBondContact O-N 3.08Å
5R76.9Confident80.7Confident101 Ų10161 Ų6138%0.38131%0.306SS..PPolyproline II helixtrans-59.7128.6179.3176.9175.1169159.82.3109.8L3 I7 D108 A222L3-R5 PolarHBondContact O-N 3.05Å; L3-R5 VanDerWaalsContact O-N 3.16Å; R5-I7 PolarHBondContact O-N 2.87Å; R5-D108 IonicContact CZ-OD1 3.51Å; R5-D108 IonicContact NE-OD1 2.81Å; R5-D108 PolarHBondContact NE-OD1 2.72Å; R5-D108 IonicContact NH2-OD1 2.61Å; R5-D108 PolarHBondContact NH2-OD1 3.4Å; R5-A222 HydrophobicContact CB-CB 4.03Å
6V88.4Confident81.1Confident48 Ų4858.3 Ų58.329%0.29130%0.299SS..PPolyproline II helixtrans-67.7125.7175.11730000109.5Q4 R8 S84Q4-V6 PolarHBondContact O-N 3.08Å; V6-R8 HydrophobicContact CG1-CG 4.4Å; V6-S84 VanDerWaalsContact CG1-C 3.43Å; V6-S84 WeakPolarHBondContact CG1-O 3.3Å
7I93.6Very high81.8Confident18 Ų1854.9 Ų54.99%0.09228%0.281CS..PPolyproline II helixtrans-86131179.1-65.1-61000110.6R5 L32 G85 W86 D108 F215 L218R5-I7 PolarHBondContact O-N 2.87Å; I7-L32 HydrophobicContact CB-CD2 3.99Å; I7-L32 HydrophobicContact CG2-CD1 4.29Å; I7-L32 HydrophobicContact CG2-CD2 4.06Å; I7-G85 CarbonylContact O-C 3.58Å; I7-G85 WeakPolarHBondContact O-CA 3.38Å; I7-W86 PolarHBondContact O-N 3.44Å; I7-D108 WeakPolarHBondContact CA-OD2 3.13Å; I7-F215 HydrophobicContact CB-CE1 4.49Å; I7-F215 HydrophobicContact CD1-CB 4.19Å; I7-F215 HydrophobicContact CD1-CD1 3.56Å; I7-F215 HydrophobicContact CD1-CE1 4.1Å; I7-F215 HydrophobicContact CD1-CG 3.89Å; I7-F215 HydrophobicContact CG1-CD1 4.08Å; I7-F215 HydrophobicContact CG1-CD2 4.4Å; I7-F215 HydrophobicContact CG1-CE1 4.36Å; I7-F215 HydrophobicContact CG1-CG 4.12Å; I7-F215 HydrophobicContact CG2-CD1 3.95Å; I7-F215 HydrophobicContact CG2-CD2 4.49Å; I7-F215 HydrophobicContact CG2-CE1 3.36Å; I7-F215 HydrophobicContact CG2-CE2 3.98Å; I7-F215 HydrophobicContact CG2-CZ 3.37Å; I7-L218 HydrophobicContact CD1-CB 4.42Å; I7-L218 HydrophobicContact CD1-CD1 3.68Å
8R95.9Very high82.2Confident51 Ų5152.8 Ų52.819%0.19228%0.275CS..EExtended strand (participates in β ladder)trans-124.6109.5178.2-61.3-179.9173.8160.2-1.8110.1V6 D82 W86 S106 L107 D108V6-R8 HydrophobicContact CG1-CG 4.4Å; R8-D82 IonicContact CZ-OD1 3.35Å; R8-D82 VanDerWaalsContact CZ-OD1 3.29Å; R8-D82 IonicContact NE-OD1 3.48Å; R8-D82 PolarHBondContact NE-OD1 2.87Å; R8-D82 VanDerWaalsContact NH2-CG 3.3Å; R8-D82 IonicContact NH2-OD1 2.65Å; R8-D82 PolarHBondContact NH2-OD1 2.95Å; R8-D82 IonicContact NH2-OD2 3.29Å; R8-D82 PolarHBondContact NH2-OD2 3.47Å; R8-W86 HydrophobicContact CB-CD2 4.29Å; R8-W86 HydrophobicContact CB-CE3 4.39Å; R8-W86 HydrophobicContact CB-CH2 3.78Å; R8-W86 HydrophobicContact CB-CZ2 3.64Å; R8-W86 HydrophobicContact CB-CZ3 4.15Å; R8-W86 HydrophobicContact CG-CD2 4.22Å; R8-W86 HydrophobicContact CG-CH2 4.23Å; R8-W86 HydrophobicContact CG-CZ2 3.54Å; R8-S106 VanDerWaalsContact CD-O 3.28Å; R8-S106 WeakPolarHBondContact CD-O 3.47Å; R8-L107 HydrophobicContact CB-CD2 4.36Å; R8-D108 PolarHBondContact N-OD2 3.23Å; R8-D108 PolarHBondContact O-N 2.96Å
9A97.6Very high82.7Confident1 Ų151.6 Ų51.61%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-126.6149.7-175.700000112.2W86 L87 L88 T109A9-W86 PolarHBondContact N-O 3.11Å; A9-L87 HydrophobicContact CB-CD1 3.83Å; A9-L87 WeakPolarHBondContact O-CA 3.43Å; A9-L88 PolarHBondContact O-N 3.49Å; A9-T109 WeakPolarHBondContact CA-O 3.5Å; A9-T109 HydrophobicContact CB-CG2 3.86Å
10V98.3Very high83.1Confident0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-118.1143.8170.71750000108.7M12 L88 F91 L101 L107 T109 V110 I111V10-M12 HydrophobicContact CG1-CG 3.78Å; V10-M12 HydrophobicContact CG1-SD 4.42Å; V10-L88 WeakPolarHBondContact CA-O 3.2Å; V10-L88 HydrophobicContact CG2-CB 4.23Å; V10-L88 HydrophobicContact CG2-CD2 4.37Å; V10-F91 WeakPolarHBondContact CG1-O 3.4Å; V10-L101 HydrophobicContact CG2-CD2 3.91Å; V10-L107 HydrophobicContact CG2-CD1 3.75Å; V10-L107 HydrophobicContact CG2-CD2 4.04Å; V10-T109 PolarHBondContact N-O 3.49Å; V10-T109 VanDerWaalsContact N-O 3.08Å; V10-V110 HydrophobicContact CB-CG1 4.2Å; V10-V110 HydrophobicContact CB-CG2 4.15Å; V10-V110 HydrophobicContact CG1-CG1 4.24Å; V10-V110 CarbonylContact O-C 3.58Å; V10-V110 WeakPolarHBondContact O-CA 3.34Å; V10-I111 PolarHBondContact O-N 2.84Å
11I97.8Very high83.5Confident1 Ų152.1 Ų52.11%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-116.4128.9167.8-172.2169.8000111.4K19 M22 S23 I26 L87 L88 D89 I111 L113I11-K19 HydrophobicContact CD1-CB 4.42Å; I11-K19 HydrophobicContact CD1-CG 4.49Å; I11-K19 HydrophobicContact CG1-CG 4.27Å; I11-M22 HydrophobicContact CD1-CB 3.74Å; I11-M22 HydrophobicContact CD1-CG 3.8Å; I11-S23 WeakPolarHBondContact CG2-OG 3.25Å; I11-I26 HydrophobicContact CD1-CD1 4.3Å; I11-L87 HydrophobicContact CB-CD1 4.17Å; I11-L87 HydrophobicContact CG2-CD1 4.18Å; I11-L87 HydrophobicContact CG2-CD2 4.29Å; I11-L87 HydrophobicContact CG2-CG 4.23Å; I11-L88 PolarHBondContact N-O 3.4Å; I11-D89 HydrophobicContact CG2-CB 3.74Å; I11-I111 CarbonylContact C-O 3.59Å; I11-I111 WeakPolarHBondContact CA-O 3.33Å; I11-I111 HydrophobicContact CG1-CB 4.38Å; I11-I111 HydrophobicContact CG1-CG2 4.4Å; I11-L113 HydrophobicContact CD1-CD1 4.25Å; I11-L113 HydrophobicContact CD1-CG 4.47Å
12M96.1Very high86Confident7 Ų741.2 Ų41.23%0.03423%0.231CC..EExtended strand (participates in β ladder)trans-124.1166.8-176.3-57.6-165.970.200111V10 V110 I111 L113 T179 V182 L183 Y186V10-M12 HydrophobicContact CG1-CG 3.78Å; V10-M12 HydrophobicContact CG1-SD 4.42Å; M12-V110 HydrophobicContact CG-CG1 3.81Å; M12-V110 HydrophobicContact SD-CG1 3.63Å; M12-I111 PolarHBondContact N-O 2.77Å; M12-L113 PolarHBondContact O-N 3.08Å; M12-T179 HydrophobicContact CE-CG2 3.41Å; M12-T179 VanDerWaalsContact CE-CG2 3.41Å; M12-V182 HydrophobicContact CE-CB 3.91Å; M12-V182 HydrophobicContact CE-CG1 3.69Å; M12-V182 HydrophobicContact SD-CG1 4.09Å; M12-L183 HydrophobicContact CB-CD2 4.13Å; M12-L183 HydrophobicContact CE-CD2 4.06Å; M12-L183 HydrophobicContact SD-CD2 3.85Å; M12-Y186 HydrophobicContact SD-CD2 4.07Å; M12-Y186 HydrophobicContact SD-CE2 4.19Å
13G93.7Very high88.5Confident5 Ų536.1 Ų36.15%0.05220%0.2CC..  trans139.7156-175.400000111.4K19 Y175G13-K19 WeakPolarHBondContact O-CD 3.1Å; G13-K19 VanDerWaalsContact O-CE 3.29Å; G13-K19 WeakPolarHBondContact O-CE 3.37Å; G13-K19 PolarHBondContact O-NZ 3.37Å; G13-Y175 VanDerWaalsContact C-CZ 3.45Å; G13-Y175 WeakPolarHBondContact CA-OH 3.27Å; G13-Y175 PolarHBondContact N-OH 3.45Å; G13-Y175 VanDerWaalsContact O-CE2 3.25Å; G13-Y175 WeakPolarHBondContact O-CE2 3.42Å
14P90.6Very high90.5Very high12 Ų1231.7 Ų31.78%0.07819%0.185CC..  trans-65.5161.1-178.425.1-33.8000112.4G16 S17 K19 L113 I120 L172 Y175P14-G16 PolarHBondContact O-N 3.38Å; P14-S17 WeakPolarHBondContact O-CB 3.35Å; P14-S17 PolarHBondContact O-N 3.16Å; P14-S17 PolarHBondContact O-OG 3.31Å; P14-K19 PolarHBondContact O-NZ 3.32Å; P14-L113 WeakPolarHBondContact CD-O 3.37Å; P14-I120 HydrophobicContact CB-CD1 3.88Å; P14-I120 HydrophobicContact CG-CD1 3.23Å; P14-I120 HydrophobicContact CG-CG1 4.29Å; P14-L172 HydrophobicContact CB-CD2 4Å; P14-Y175 HydrophobicContact CB-CD1 3.93Å; P14-Y175 HydrophobicContact CB-CD2 4.33Å; P14-Y175 HydrophobicContact CB-CE1 4.09Å; P14-Y175 HydrophobicContact CB-CE2 4.44Å; P14-Y175 HydrophobicContact CB-CG 4.07Å; P14-Y175 HydrophobicContact CG-CE1 4.42Å
15P86Confident92.1Very high18 Ų1827 Ų2712%0.11716%0.16CC..THydrogen-bonded Turntrans-48.1141.2166.7-2332.1000110.3S17 I120 L124 R171P15-S17 PolarHBondContact O-N 3.49Å; P15-I120 WeakPolarHBondContact O-CG2 3.19Å; P15-L124 HydrophobicContact CB-CD1 4.16Å; P15-L124 HydrophobicContact CB-CD2 4.45Å; P15-R171 HydrophobicContact CG-CB 4.02Å
16G87.3Confident93Very high18 Ų1822.3 Ų22.319%0.18614%0.142CC..THydrogen-bonded Turntrans76.5-4.2179.900000116.4P14 G18 R123P14-G16 PolarHBondContact O-N 3.38Å; G16-G18 PolarHBondContact O-N 2.92Å; G16-R123 WeakPolarHBondContact O-CD 3.31Å; G16-R123 PolarHBondContact O-NH1 3.12Å
17S91.8Very high93.3Very high0 Ų022 Ų220%014%0.139CC..SBendtrans-67.9-15.3176.767.40000114.4P14 P15 K19 R123P14-S17 WeakPolarHBondContact O-CB 3.35Å; P14-S17 PolarHBondContact O-N 3.16Å; P14-S17 PolarHBondContact O-OG 3.31Å; P15-S17 PolarHBondContact O-N 3.49Å; S17-K19 WeakPolarHBondContact OG-CG 3.29Å; S17-R123 VanDerWaalsContact C-NH1 3.28Å; S17-R123 PolarHBondContact O-NH1 2.82Å
18G90.1Very high93.3Very high17 Ų1730.1 Ų30.118%0.17517%0.173CC..SBendtrans97.313.7-177.700000114.3G16 G20 T21 M22G16-G18 PolarHBondContact O-N 2.92Å; G18-G20 PolarHBondContact O-N 3.34Å; G18-T21 PolarHBondContact O-N 2.65Å; G18-T21 VanDerWaalsContact O-N 3.17Å; G18-M22 PolarHBondContact O-N 3.49Å
19K92.1Very high93.3Very high30 Ų3030.4 Ų30.413%0.1318%0.183CC..Hα-helixtrans-44.9-56.4175.6-70.3-173.6-56.7-63.20113I11 G13 P14 S17 T21 M22 S23 L113I11-K19 HydrophobicContact CD1-CB 4.42Å; I11-K19 HydrophobicContact CD1-CG 4.49Å; I11-K19 HydrophobicContact CG1-CG 4.27Å; G13-K19 WeakPolarHBondContact O-CD 3.1Å; G13-K19 VanDerWaalsContact O-CE 3.29Å; G13-K19 WeakPolarHBondContact O-CE 3.37Å; G13-K19 PolarHBondContact O-NZ 3.37Å; P14-K19 PolarHBondContact O-NZ 3.32Å; S17-K19 WeakPolarHBondContact OG-CG 3.29Å; K19-T21 VanDerWaalsContact C-N 3.29Å; K19-T21 PolarHBondContact O-N 3.15Å; K19-M22 CarbonylContact O-C 3.41Å; K19-M22 WeakPolarHBondContact O-CA 3.32Å; K19-M22 VanDerWaalsContact O-CB 3.29Å; K19-M22 WeakPolarHBondContact O-CB 3.4Å; K19-M22 PolarHBondContact O-N 3.23Å; K19-S23 PolarHBondContact O-N 3.13Å; K19-S23 PolarHBondContact O-OG 3.01Å; K19-L113 HydrophobicContact CG-CD1 4.06Å
20G89.9Confident93.1Very high46 Ų4632.3 Ų32.347%0.47419%0.191SC..Hα-helixtrans-57.1-39.9-176.800000113.7G18 A24G18-G20 PolarHBondContact O-N 3.34Å; G20-A24 WeakPolarHBondContact O-CB 3.28Å; G20-A24 PolarHBondContact O-N 3.19Å
21T90.9Very high92.8Very high69 Ų6935.4 Ų35.442%0.42322%0.223SC..Hα-helixtrans-65.5-42.1173.9-52.80000111.4G18 K19 R25 T200G18-T21 PolarHBondContact O-N 2.65Å; G18-T21 VanDerWaalsContact O-N 3.17Å; K19-T21 VanDerWaalsContact C-N 3.29Å; K19-T21 PolarHBondContact O-N 3.15Å; T21-R25 WeakPolarHBondContact O-CG 3.49Å; T21-R25 PolarHBondContact O-N 2.66Å; T21-T200 HydrophobicContact CG2-CG2 4Å
22M94.9Very high92.6Very high0 Ų035.9 Ų35.90%023%0.226CC..Hα-helixtrans-64-48176.4-163.568.976.200111.3I11 G18 K19 A24 R25 I26 L113 T200 I203 W204 V207I11-M22 HydrophobicContact CD1-CB 3.74Å; I11-M22 HydrophobicContact CD1-CG 3.8Å; G18-M22 PolarHBondContact O-N 3.49Å; K19-M22 CarbonylContact O-C 3.41Å; K19-M22 WeakPolarHBondContact O-CA 3.32Å; K19-M22 VanDerWaalsContact O-CB 3.29Å; K19-M22 WeakPolarHBondContact O-CB 3.4Å; K19-M22 PolarHBondContact O-N 3.23Å; M22-A24 VanDerWaalsContact C-N 3.35Å; M22-A24 PolarHBondContact O-N 3.08Å; M22-R25 PolarHBondContact O-N 2.89Å; M22-R25 VanDerWaalsContact O-N 3.12Å; M22-I26 HydrophobicContact CG-CD1 4.1Å; M22-I26 WeakPolarHBondContact O-CG1 3.28Å; M22-I26 PolarHBondContact O-N 3.44Å; M22-L113 HydrophobicContact CB-CD1 3.94Å; M22-L113 HydrophobicContact CE-CD1 4.2Å; M22-L113 HydrophobicContact CE-CD2 3.77Å; M22-L113 HydrophobicContact CG-CD1 4.22Å; M22-L113 HydrophobicContact CG-CD2 4.33Å; M22-T200 HydrophobicContact CE-CG2 4.04Å; M22-I203 HydrophobicContact CE-CB 3.92Å; M22-I203 HydrophobicContact CE-CG2 3.5Å; M22-I203 VanDerWaalsContact CE-CG2 3.5Å; M22-W204 HydrophobicContact SD-CB 4.46Å; M22-W204 HydrophobicContact SD-CE3 3.54Å; M22-W204 VanDerWaalsContact SD-CE3 3.54Å; M22-W204 HydrophobicContact SD-CZ3 4.21Å; M22-V207 HydrophobicContact CE-CG2 4.06Å; M22-V207 HydrophobicContact CG-CG1 4.46Å; M22-V207 HydrophobicContact SD-CB 4.16Å; M22-V207 HydrophobicContact SD-CG1 4.18Å; M22-V207 HydrophobicContact SD-CG2 4.01Å
23S95.3Very high92.6Very high0 Ų040.3 Ų40.30%025%0.247CC..Hα-helixtrans-52.7-52.1175.3-54.80000110.4I11 K19 R25 I26 I27 D89I11-S23 WeakPolarHBondContact CG2-OG 3.25Å; K19-S23 PolarHBondContact O-N 3.13Å; K19-S23 PolarHBondContact O-OG 3.01Å; S23-R25 VanDerWaalsContact C-N 3.27Å; S23-R25 PolarHBondContact O-N 2.9Å; S23-I26 PolarHBondContact O-N 3.08Å; S23-I26 VanDerWaalsContact O-N 3.1Å; S23-I27 WeakPolarHBondContact O-CD1 3.38Å; S23-I27 VanDerWaalsContact O-CG1 3.25Å; S23-I27 WeakPolarHBondContact O-CG1 3.48Å; S23-I27 PolarHBondContact O-N 3.45Å; S23-D89 PolarHBondContact OG-OD2 3.15Å
24A92.7Very high92.6Very high55 Ų5543.8 Ų43.846%0.45526%0.261SS..Hα-helixtrans-57.2-38.7179.300000113G20 M22 K28G20-A24 WeakPolarHBondContact O-CB 3.28Å; G20-A24 PolarHBondContact O-N 3.19Å; M22-A24 VanDerWaalsContact C-N 3.35Å; M22-A24 PolarHBondContact O-N 3.08Å; A24-K28 WeakPolarHBondContact O-CB 3.42Å; A24-K28 PolarHBondContact O-N 3.04Å; A24-K28 VanDerWaalsContact O-N 3.16Å
25R95.1Very high92.8Very high71 Ų7144 Ų4427%0.26826%0.261SS..Hα-helixtrans-69.7-44.4175.1-67.5-179.2-175.2-171.50.6112.1T21 M22 S23 I27 K28 S29 N201 W204T21-R25 WeakPolarHBondContact O-CG 3.49Å; T21-R25 PolarHBondContact O-N 2.66Å; M22-R25 PolarHBondContact O-N 2.89Å; M22-R25 VanDerWaalsContact O-N 3.12Å; S23-R25 VanDerWaalsContact C-N 3.27Å; S23-R25 PolarHBondContact O-N 2.9Å; R25-I27 PolarHBondContact O-N 3.06Å; R25-K28 PolarHBondContact O-N 3.24Å; R25-S29 WeakPolarHBondContact O-CB 3.37Å; R25-S29 PolarHBondContact O-N 3.37Å; R25-S29 PolarHBondContact O-OG 3.1Å; R25-N201 PolarHBondContact NH1-OD1 3.43Å; R25-N201 PolarHBondContact NH2-OD1 3.2Å; R25-W204 HydrophobicContact CB-CD2 4.03Å; R25-W204 HydrophobicContact CB-CE3 3.69Å; R25-W204 HydrophobicContact CB-CH2 3.44Å; R25-W204 VanDerWaalsContact CB-CH2 3.44Å; R25-W204 HydrophobicContact CB-CZ2 3.79Å; R25-W204 HydrophobicContact CB-CZ3 3.4Å; R25-W204 HydrophobicContact CG-CD2 4.42Å; R25-W204 HydrophobicContact CG-CE3 4.42Å
26I95.9Very high93.1Very high1 Ų144 Ų441%0.00526%0.262CS..Hα-helixtrans-58.3-49.6177.3-66.4169000110.3I11 M22 S23 K28 S29 F30 L32 L87 I111 W204 V207 L211I11-I26 HydrophobicContact CD1-CD1 4.3Å; M22-I26 HydrophobicContact CG-CD1 4.1Å; M22-I26 WeakPolarHBondContact O-CG1 3.28Å; M22-I26 PolarHBondContact O-N 3.44Å; S23-I26 PolarHBondContact O-N 3.08Å; S23-I26 VanDerWaalsContact O-N 3.1Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.24Å; I26-S29 PolarHBondContact O-N 3.4Å; I26-F30 HydrophobicContact CG2-CD2 4.06Å; I26-F30 WeakPolarHBondContact O-CB 3.33Å; I26-F30 WeakPolarHBondContact O-CD2 3.22Å; I26-F30 PolarHBondContact O-N 2.81Å; I26-L32 HydrophobicContact CG2-CD1 3.95Å; I26-L87 HydrophobicContact CB-CD2 4.04Å; I26-L87 HydrophobicContact CD1-CD2 4.14Å; I26-L87 HydrophobicContact CG2-CD2 3.97Å; I26-I111 HydrophobicContact CD1-CD1 3.72Å; I26-W204 HydrophobicContact CG1-CH2 4.46Å; I26-W204 HydrophobicContact CG1-CZ3 3.86Å; I26-V207 HydrophobicContact CD1-CG1 4.21Å; I26-V207 HydrophobicContact CG1-CG1 4.4Å; I26-L211 HydrophobicContact CB-CD1 4.47Å; I26-L211 HydrophobicContact CD1-CD1 4.02Å; I26-L211 HydrophobicContact CG1-CD1 3.77Å; I26-L211 HydrophobicContact CG2-CD1 3.99Å
27I94.5Very high93.3Very high42 Ų4243.2 Ų43.222%0.21525%0.254CS..Hα-helixtrans-56.8-47.1179-68.8150.4000110.7S23 R25 G31 L32 H34 L87S23-I27 WeakPolarHBondContact O-CD1 3.38Å; S23-I27 VanDerWaalsContact O-CG1 3.25Å; S23-I27 WeakPolarHBondContact O-CG1 3.48Å; S23-I27 PolarHBondContact O-N 3.45Å; R25-I27 PolarHBondContact O-N 3.06Å; I27-G31 WeakPolarHBondContact O-CA 3.29Å; I27-G31 PolarHBondContact O-N 2.82Å; I27-L32 VanDerWaalsContact CG2-O 3.31Å; I27-L32 WeakPolarHBondContact CG2-O 3.42Å; I27-H34 HydrophobicContact CD1-CB 3.34Å; I27-H34 HydrophobicContact CG1-CB 4.01Å; I27-L87 HydrophobicContact CG1-CD2 4.43Å
28K93.4Very high93Very high188 Ų18843.7 Ų43.782%0.81726%0.258SS*.Hα-helixtrans-65.3-43.2-179.7-174.8178.7177.8-178.10112.7A24 R25 I26A24-K28 WeakPolarHBondContact O-CB 3.42Å; A24-K28 PolarHBondContact O-N 3.04Å; A24-K28 VanDerWaalsContact O-N 3.16Å; R25-K28 PolarHBondContact O-N 3.24Å; I26-K28 VanDerWaalsContact C-N 3.31Å; I26-K28 PolarHBondContact O-N 3.24Å
29S94.5Very high92.8Very high58 Ų5846.4 Ų46.441%0.40627%0.269SS..Hα-helixtrans-77.4-31.2-176.6-67.30000113.4R25 I26 W204R25-S29 WeakPolarHBondContact O-CB 3.37Å; R25-S29 PolarHBondContact O-N 3.37Å; R25-S29 PolarHBondContact O-OG 3.1Å; I26-S29 PolarHBondContact O-N 3.4Å; S29-W204 WeakPolarHBondContact OG-CZ2 3.47Å
30F93.2Very high92.7Very high40 Ų4046.2 Ų46.218%0.17527%0.269CS..Hα-helixtrans-116.4-1.6-170.9-60.7-79.2000114.5I26 L32 W204 E208 L211 H212 F215I26-F30 HydrophobicContact CG2-CD2 4.06Å; I26-F30 WeakPolarHBondContact O-CB 3.33Å; I26-F30 WeakPolarHBondContact O-CD2 3.22Å; I26-F30 PolarHBondContact O-N 2.81Å; F30-L32 VanDerWaalsContact C-N 3.32Å; F30-L32 HydrophobicContact CB-CD1 4.49Å; F30-L32 HydrophobicContact CB-CG 4.1Å; F30-L32 PolarHBondContact O-N 2.85Å; F30-W204 HydrophobicContact CE2-CH2 4.44Å; F30-E208 HydrophobicContact CZ-CG 4.44Å; F30-L211 HydrophobicContact CD2-CB 4.45Å; F30-L211 HydrophobicContact CD2-CD1 4.08Å; F30-L211 HydrophobicContact CE1-CB 3.91Å; F30-L211 HydrophobicContact CE2-CB 3.74Å; F30-L211 HydrophobicContact CE2-CD1 3.69Å; F30-L211 HydrophobicContact CE2-CG 4.38Å; F30-L211 HydrophobicContact CZ-CB 3.43Å; F30-L211 VanDerWaalsContact CZ-CB 3.43Å; F30-L211 HydrophobicContact CZ-CD1 4.29Å; F30-H212 AromaticContact CE1-CE1 3.72Å; F30-H212 AromaticContact CE1-CG 3.91Å; F30-H212 AromaticContact CE1-ND1 3.69Å; F30-H212 AromaticContact CE1-NE2 3.97Å; F30-H212 AromaticContact CZ-CD2 3.87Å; F30-H212 AromaticContact CZ-NE2 3.86Å; F30-F215 HydrophobicContact CB-CD2 4.4Å; F30-F215 HydrophobicContact CB-CE2 4.04Å; F30-F215 AromaticContact CD1-CD2 3.57Å; F30-F215 HydrophobicContact CD1-CD2 3.57Å; F30-F215 AromaticContact CD1-CE2 3.8Å; F30-F215 HydrophobicContact CD1-CE2 3.8Å; F30-F215 HydrophobicContact CD2-CE2 4.45Å; F30-F215 HydrophobicContact CE1-CD2 4.08Å; F30-F215 HydrophobicContact CE1-CE2 4.39Å; F30-F215 HydrophobicContact CG-CD2 4.09Å; F30-F215 AromaticContact CG-CE2 3.83Å; F30-F215 HydrophobicContact CG-CE2 3.83Å
31G92.4Very high92.5Very high65 Ų6545.6 Ų45.667%0.6725%0.254SS*.  trans66.630.2175.900000114.2I27I27-G31 WeakPolarHBondContact O-CA 3.29Å; I27-G31 PolarHBondContact O-N 2.82Å
32L94Very high92.2Very high12 Ų1246.6 Ų46.66%0.06325%0.251CS..PPolyproline II helixtrans-84.9144.6-179.9-56.7-177.5000111.4I7 I26 I27 F30 L87 F215I7-L32 HydrophobicContact CB-CD2 3.99Å; I7-L32 HydrophobicContact CG2-CD1 4.29Å; I7-L32 HydrophobicContact CG2-CD2 4.06Å; I26-L32 HydrophobicContact CG2-CD1 3.95Å; I27-L32 VanDerWaalsContact CG2-O 3.31Å; I27-L32 WeakPolarHBondContact CG2-O 3.42Å; F30-L32 VanDerWaalsContact C-N 3.32Å; F30-L32 HydrophobicContact CB-CD1 4.49Å; F30-L32 HydrophobicContact CB-CG 4.1Å; F30-L32 PolarHBondContact O-N 2.85Å; L32-L87 HydrophobicContact CB-CB 4.48Å; L32-L87 HydrophobicContact CD1-CB 4.26Å; L32-F215 HydrophobicContact CD1-CE2 4.31Å; L32-F215 HydrophobicContact CD1-CZ 4.36Å
33Q95.5Very high91.9Very high100 Ų10048.6 Ų48.647%0.46727%0.267SS..EExtended strand (participates in β ladder)trans-66.8139.7165.9-65.9-64.8-33.600109.9I81 G85 W86 L87Q33-I81 HydrophobicContact CB-CD1 3.96Å; Q33-G85 PolarHBondContact N-O 3.13Å; Q33-W86 HydrophobicContact CB-CB 4.28Å; Q33-W86 CarbonylContact O-C 3.54Å; Q33-W86 VanDerWaalsContact O-CA 3.29Å; Q33-W86 WeakPolarHBondContact O-CA 3.48Å; Q33-L87 PolarHBondContact O-N 2.83Å
34H94.7Very high91.7Very high77 Ų7750 Ų5036%0.35627%0.274SS..EExtended strand (participates in β ladder)trans-99.5132.5177.7-171.1-147.5000111.1I27 D89I27-H34 HydrophobicContact CD1-CB 3.34Å; I27-H34 HydrophobicContact CG1-CB 4.01Å; H34-D89 IonicContact NE2-OD2 2.71Å
35M95.3Very high91.4Very high16 Ų1649.7 Ų49.78%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-126.1111.3167.5-172.5166.6-69.400110.2I40 I74 D77 L78 I81 L87 L88 D89M35-I40 HydrophobicContact CG-CD1 3.58Å; M35-I40 HydrophobicContact SD-CD1 3.94Å; M35-I74 HydrophobicContact SD-CG2 4.33Å; M35-D77 VanDerWaalsContact CE-C 3.46Å; M35-D77 HydrophobicContact CE-CB 3.72Å; M35-D77 HydrophobicContact SD-CB 4.09Å; M35-L78 HydrophobicContact CB-CD2 4.46Å; M35-L78 HydrophobicContact CE-CD2 3.95Å; M35-L78 HydrophobicContact CE-CG 4.2Å; M35-L78 HydrophobicContact SD-CB 4.41Å; M35-L78 HydrophobicContact SD-CD2 3.51Å; M35-L78 VanDerWaalsContact SD-CD2 3.51Å; M35-L78 HydrophobicContact SD-CG 3.52Å; M35-L78 VanDerWaalsContact SD-CG 3.52Å; M35-I81 HydrophobicContact CE-CD1 3.72Å; M35-I81 HydrophobicContact CE-CG1 4.19Å; M35-L87 PolarHBondContact N-O 3.02Å; M35-L88 HydrophobicContact CB-CD1 3.87Å; M35-L88 HydrophobicContact CG-CD1 3.78Å; M35-L88 WeakPolarHBondContact O-CA 3.29Å; M35-L88 HydrophobicContact SD-CD1 4.04Å; M35-D89 PolarHBondContact O-N 2.69Å
36S92.6Very high91.1Very high19 Ų1953.3 Ų53.313%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-100.2116.2171.5-175.30000110.1G38 D39 I40 D89S36-G38 PolarHBondContact O-N 3.41Å; S36-D39 VanDerWaalsContact CB-OD2 3.28Å; S36-D39 WeakPolarHBondContact CB-OD2 3.41Å; S36-D39 PolarHBondContact O-N 2.71Å; S36-I40 WeakPolarHBondContact O-CG1 3.48Å; S36-I40 PolarHBondContact O-N 3.35Å; S36-I40 VanDerWaalsContact O-N 3.09Å; S36-D89 WeakPolarHBondContact CA-O 3.21Å
37S89.8Confident90.9Very high2 Ų258.7 Ų58.71%0.01431%0.313CS..Hα-helixtrans-60.3-37.9174.868.90000110.8D39 I40 L41 D89 G90S37-D39 VanDerWaalsContact C-N 3.33Å; S37-D39 PolarHBondContact O-N 3.46Å; S37-I40 PolarHBondContact O-N 2.83Å; S37-L41 WeakPolarHBondContact O-CB 3.45Å; S37-L41 WeakPolarHBondContact O-CG 3.41Å; S37-L41 PolarHBondContact O-N 3.32Å; S37-D89 PolarHBondContact N-O 3.09Å; S37-G90 PolarHBondContact OG-O 2.87Å
38G85.4Confident90.8Very high9 Ų964 Ų649%0.09334%0.335CS..Hα-helixtrans-61-39.717800000113.2S36 R42S36-G38 PolarHBondContact O-N 3.41Å; G38-R42 VanDerWaalsContact C-CZ 3.45Å; G38-R42 VanDerWaalsContact C-NH2 3.34Å; G38-R42 WeakPolarHBondContact O-CB 3.16Å; G38-R42 WeakPolarHBondContact O-CG 3.25Å; G38-R42 PolarHBondContact O-N 3.19Å; G38-R42 VanDerWaalsContact O-N 3.09Å; G38-R42 PolarHBondContact O-NE 3.27Å; G38-R42 PolarHBondContact O-NH1 3.31Å
39D86.7Confident90.7Very high75 Ų7557.2 Ų57.240%0.40131%0.309SS..Hα-helixtrans-71.3-42.5177.2-67.1-31.5000111.4S36 S37 L41 R42 A43S36-D39 VanDerWaalsContact CB-OD2 3.28Å; S36-D39 WeakPolarHBondContact CB-OD2 3.41Å; S36-D39 PolarHBondContact O-N 2.71Å; S37-D39 VanDerWaalsContact C-N 3.33Å; S37-D39 PolarHBondContact O-N 3.46Å; D39-L41 VanDerWaalsContact C-N 3.33Å; D39-L41 PolarHBondContact O-N 3.25Å; D39-R42 PolarHBondContact O-N 3.12Å; D39-R42 IonicContact OD1-CZ 2.91Å; D39-R42 IonicContact OD1-NE 3.38Å; D39-R42 IonicContact OD1-NH2 3.07Å; D39-R42 PolarHBondContact OD1-NH2 2.89Å; D39-A43 WeakPolarHBondContact O-CB 2.98Å; D39-A43 PolarHBondContact O-N 2.91Å
40I89.6Confident90.5Very high26 Ų2663.1 Ų63.113%0.13333%0.33CS..Hα-helixtrans-57.3-46.8175.2-68.8167.7000110.9M35 S36 S37 A43 N44 L73 I74 D77M35-I40 HydrophobicContact CG-CD1 3.58Å; M35-I40 HydrophobicContact SD-CD1 3.94Å; S36-I40 WeakPolarHBondContact O-CG1 3.48Å; S36-I40 PolarHBondContact O-N 3.35Å; S36-I40 VanDerWaalsContact O-N 3.09Å; S37-I40 PolarHBondContact O-N 2.83Å; I40-A43 PolarHBondContact O-N 3.1Å; I40-N44 PolarHBondContact O-N 3.32Å; I40-N44 VanDerWaalsContact O-N 3.09Å; I40-N44 PolarHBondContact O-ND2 3.02Å; I40-L73 HydrophobicContact CG2-CD1 4.42Å; I40-L73 HydrophobicContact CG2-CD2 3.65Å; I40-L73 HydrophobicContact CG2-CG 4.01Å; I40-I74 HydrophobicContact CB-CD1 4.41Å; I40-I74 HydrophobicContact CD1-CD1 3.87Å; I40-I74 HydrophobicContact CG2-CD1 4.29Å; I40-D77 HydrophobicContact CD1-CB 4.41Å
41L86.3Confident90.2Very high32 Ų3263 Ų6317%0.16833%0.331CS..Hα-helixtrans-65.3-43180-63171.1000111.4S37 D39 N44 I45 M55 I70 L73S37-L41 WeakPolarHBondContact O-CB 3.45Å; S37-L41 WeakPolarHBondContact O-CG 3.41Å; S37-L41 PolarHBondContact O-N 3.32Å; D39-L41 VanDerWaalsContact C-N 3.33Å; D39-L41 PolarHBondContact O-N 3.25Å; L41-N44 PolarHBondContact O-N 3.39Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.23Å; L41-I45 VanDerWaalsContact O-N 3.12Å; L41-M55 HydrophobicContact CD2-CE 4.07Å; L41-M55 HydrophobicContact CD2-SD 3.25Å; L41-M55 WeakPolarHBondContact CD2-SD 3.32Å; L41-M55 HydrophobicContact CG-SD 4.45Å; L41-I70 HydrophobicContact CD1-CD1 4.37Å; L41-I70 HydrophobicContact CD2-CD1 3.47Å; L41-I70 VanDerWaalsContact CD2-CD1 3.47Å; L41-L73 HydrophobicContact CD2-CD2 3.92Å
42R84.4Confident90Very high91 Ų9160 Ų6034%0.34330%0.3SS..Hα-helixtrans-62.3-45176.4-80.9-175.5-72.7-86.21.8112.3G38 D39 N44 I45 Q46G38-R42 VanDerWaalsContact C-CZ 3.45Å; G38-R42 VanDerWaalsContact C-NH2 3.34Å; G38-R42 WeakPolarHBondContact O-CB 3.16Å; G38-R42 WeakPolarHBondContact O-CG 3.25Å; G38-R42 PolarHBondContact O-N 3.19Å; G38-R42 VanDerWaalsContact O-N 3.09Å; G38-R42 PolarHBondContact O-NE 3.27Å; G38-R42 PolarHBondContact O-NH1 3.31Å; D39-R42 PolarHBondContact O-N 3.12Å; D39-R42 IonicContact OD1-CZ 2.91Å; D39-R42 IonicContact OD1-NE 3.38Å; D39-R42 IonicContact OD1-NH2 3.07Å; D39-R42 PolarHBondContact OD1-NH2 2.89Å; R42-N44 PolarHBondContact O-N 2.89Å; R42-I45 PolarHBondContact O-N 3.16Å; R42-Q46 WeakPolarHBondContact O-CB 3.44Å; R42-Q46 PolarHBondContact O-N 3.37Å
43A88.9Confident89.9Confident41 Ų4163.9 Ų63.934%0.33932%0.321SS..Hα-helixtrans-59.2-47178.100000111D39 I40 I45 Q46 D47D39-A43 WeakPolarHBondContact O-CB 2.98Å; D39-A43 PolarHBondContact O-N 2.91Å; I40-A43 PolarHBondContact O-N 3.1Å; A43-I45 VanDerWaalsContact C-N 3.34Å; A43-I45 PolarHBondContact O-N 3.47Å; A43-Q46 PolarHBondContact O-N 3.28Å; A43-D47 VanDerWaalsContact O-CB 3.32Å; A43-D47 WeakPolarHBondContact O-CB 3.45Å; A43-D47 VanDerWaalsContact O-CG 3.26Å; A43-D47 PolarHBondContact O-N 3.32Å
44N90Very high89.5Confident30 Ų3062.8 Ų62.816%0.1632%0.318CS..Hα-helixtrans-58.6-43.4176.6-85.2-87.3000112.9I40 L41 R42 K48 T49 G52 M55I40-N44 PolarHBondContact O-N 3.32Å; I40-N44 VanDerWaalsContact O-N 3.09Å; I40-N44 PolarHBondContact O-ND2 3.02Å; L41-N44 PolarHBondContact O-N 3.39Å; R42-N44 PolarHBondContact O-N 2.89Å; N44-K48 PolarHBondContact O-N 2.88Å; N44-K48 VanDerWaalsContact O-N 3.14Å; N44-T49 PolarHBondContact O-N 2.96Å; N44-T49 VanDerWaalsContact O-N 3.16Å; N44-T49 PolarHBondContact O-OG1 2.85Å; N44-T49 PolarHBondContact OD1-OG1 3.44Å; N44-G52 WeakPolarHBondContact O-CA 3.39Å; N44-M55 HydrophobicContact CB-CE 3.43Å; N44-M55 VanDerWaalsContact CB-CE 3.43Å
45I86.8Confident89Confident49 Ų4959.3 Ų59.325%0.25130%0.301SS..Hα-helixtrans-65-44177.3-68.1167.1000111L41 R42 A43 K48 M55 K56 I59L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.23Å; L41-I45 VanDerWaalsContact O-N 3.12Å; R42-I45 PolarHBondContact O-N 3.16Å; A43-I45 VanDerWaalsContact C-N 3.34Å; A43-I45 PolarHBondContact O-N 3.47Å; I45-K48 PolarHBondContact O-N 2.8Å; I45-M55 HydrophobicContact CD1-CB 4.44Å; I45-M55 HydrophobicContact CG1-CB 4.31Å; I45-K56 HydrophobicContact CG2-CB 4.37Å; I45-K56 HydrophobicContact CG2-CD 4.38Å; I45-I59 HydrophobicContact CD1-CD1 3.88Å
46Q88.6Confident88.4Confident147 Ų14763.3 Ų63.369%0.68732%0.318SS*.Hα-helixtrans-64.3-45179.8178.5175.6-9.600111.7R42 A43 K48R42-Q46 WeakPolarHBondContact O-CB 3.44Å; R42-Q46 PolarHBondContact O-N 3.37Å; A43-Q46 PolarHBondContact O-N 3.28Å; Q46-K48 PolarHBondContact O-N 3.49Å
47D92.2Very high88.1Confident114 Ų11464.9 Ų64.961%0.6133%0.329SS*.THydrogen-bonded Turntrans-77-3.5-179.5-64.8-16.9000112.6A43 T49A43-D47 VanDerWaalsContact O-CB 3.32Å; A43-D47 WeakPolarHBondContact O-CB 3.45Å; A43-D47 VanDerWaalsContact O-CG 3.26Å; A43-D47 PolarHBondContact O-N 3.32Å; D47-T49 HydrophobicContact CB-CG2 4.08Å; D47-T49 PolarHBondContact O-N 2.72Å
48K92.6Very high87.6Confident154 Ų15465.3 Ų65.367%0.6733%0.332SS*.THydrogen-bonded Turntrans52.740.3-179.6-57.1175.7-177.2174.40112.2N44 I45 Q46 L53N44-K48 PolarHBondContact O-N 2.88Å; N44-K48 VanDerWaalsContact O-N 3.14Å; I45-K48 PolarHBondContact O-N 2.8Å; Q46-K48 PolarHBondContact O-N 3.49Å; K48-L53 HydrophobicContact CB-CD2 4.2Å
49T91.7Very high87.1Confident45 Ų4569.6 Ų69.628%0.27635%0.352SS..  trans-61.7160171.969.60000109.6N44 D47 L51 G52 L53N44-T49 PolarHBondContact O-N 2.96Å; N44-T49 VanDerWaalsContact O-N 3.16Å; N44-T49 PolarHBondContact O-OG1 2.85Å; N44-T49 PolarHBondContact OD1-OG1 3.44Å; D47-T49 HydrophobicContact CB-CG2 4.08Å; D47-T49 PolarHBondContact O-N 2.72Å; T49-L51 PolarHBondContact O-N 2.91Å; T49-G52 CarbonylContact O-C 3.55Å; T49-G52 WeakPolarHBondContact O-CA 3.41Å; T49-G52 PolarHBondContact O-N 3.07Å; T49-G52 PolarHBondContact OG1-N 3.14Å; T49-L53 WeakPolarHBondContact O-CG 3.49Å; T49-L53 PolarHBondContact O-N 3.39Å
50E89.5Confident86.6Confident182 Ų18271.7 Ų71.785%0.8536%0.363SS*.Hα-helixtrans-51.8-44.6176-176.2-179.6-179.700111.3L53 L54E50-L53 PolarHBondContact O-N 3.28Å; E50-L54 PolarHBondContact O-N 3.46Å; E50-L54 VanDerWaalsContact O-N 3.13Å
51L87.5Confident86Confident37 Ų3776.1 Ų76.119%0.19438%0.383CS..Hα-helixtrans-66.1-42.5174.9-176.458000112.1T49 L53 L54 M55 I69 L73T49-L51 PolarHBondContact O-N 2.91Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 3.19Å; L51-L54 HydrophobicContact CD1-CD2 4.47Å; L51-L54 PolarHBondContact O-N 3.48Å; L51-M55 HydrophobicContact CB-CE 4.44Å; L51-M55 HydrophobicContact CD1-CG 4.2Å; L51-M55 HydrophobicContact CD1-SD 4.38Å; L51-M55 HydrophobicContact CD2-CE 4.26Å; L51-M55 HydrophobicContact CG-CE 3.7Å; L51-M55 HydrophobicContact CG-CG 4.34Å; L51-M55 HydrophobicContact CG-SD 4.09Å; L51-M55 WeakPolarHBondContact O-CB 3.36Å; L51-M55 WeakPolarHBondContact O-CG 3.49Å; L51-M55 PolarHBondContact O-N 3.37Å; L51-I69 HydrophobicContact CD1-CG2 3.23Å; L51-L73 HydrophobicContact CD2-CB 3.99Å; L51-L73 HydrophobicContact CD2-CD1 3.72Å; L51-L73 HydrophobicContact CD2-CD2 3.61Å; L51-L73 HydrophobicContact CD2-CG 3.96Å
52G88.9Confident85Confident1 Ų178 Ų781%0.0141%0.41CS..Hα-helixtrans-56.5-41.9175.500000113.5N44 T49 M55 K56N44-G52 WeakPolarHBondContact O-CA 3.39Å; T49-G52 CarbonylContact O-C 3.55Å; T49-G52 WeakPolarHBondContact O-CA 3.41Å; T49-G52 PolarHBondContact O-N 3.07Å; T49-G52 PolarHBondContact OG1-N 3.14Å; G52-M55 PolarHBondContact O-N 3.34Å; G52-K56 VanDerWaalsContact O-CB 3.27Å; G52-K56 WeakPolarHBondContact O-CB 3.36Å; G52-K56 PolarHBondContact O-N 2.7Å
53L89.9Confident84.4Confident95 Ų9578.9 Ų78.950%0.49742%0.418SS..Hα-helixtrans-67.3-42.3176.7-66.7174000111.7K48 T49 E50 L51 K56 S57K48-L53 HydrophobicContact CB-CD2 4.2Å; T49-L53 WeakPolarHBondContact O-CG 3.49Å; T49-L53 PolarHBondContact O-N 3.39Å; E50-L53 PolarHBondContact O-N 3.28Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 3.19Å; L53-K56 PolarHBondContact O-N 3.13Å; L53-S57 WeakPolarHBondContact O-CB 3.36Å; L53-S57 PolarHBondContact O-N 3.37Å
54L87.6Confident83.4Confident77 Ų7782.6 Ų82.640%0.40343%0.432SS..Hα-helixtrans-60.9-48.2174.2-18065.7000111.1E50 L51 K56 S57 C58 I69E50-L54 PolarHBondContact O-N 3.46Å; E50-L54 VanDerWaalsContact O-N 3.13Å; L51-L54 HydrophobicContact CD1-CD2 4.47Å; L51-L54 PolarHBondContact O-N 3.48Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 3.32Å; L54-S57 WeakPolarHBondContact O-CB 3.4Å; L54-S57 PolarHBondContact O-N 2.86Å; L54-C58 PolarHBondContact O-N 3.35Å; L54-C58 PolarHBondContact O-SG 2.94Å; L54-C58 VanDerWaalsContact O-SG 3.4Å; L54-I69 HydrophobicContact CD2-CD1 3.73Å
55M85.1Confident83Confident3 Ų382.3 Ų82.32%0.01543%0.431CS..Hα-helixtrans-61.2-44.6178.7-69.9-174.1-65.800111.7L41 N44 I45 L51 G52 S57 C58 I59 V65 I70L41-M55 HydrophobicContact CD2-CE 4.07Å; L41-M55 HydrophobicContact CD2-SD 3.25Å; L41-M55 WeakPolarHBondContact CD2-SD 3.32Å; L41-M55 HydrophobicContact CG-SD 4.45Å; N44-M55 HydrophobicContact CB-CE 3.43Å; N44-M55 VanDerWaalsContact CB-CE 3.43Å; I45-M55 HydrophobicContact CD1-CB 4.44Å; I45-M55 HydrophobicContact CG1-CB 4.31Å; L51-M55 HydrophobicContact CB-CE 4.44Å; L51-M55 HydrophobicContact CD1-CG 4.2Å; L51-M55 HydrophobicContact CD1-SD 4.38Å; L51-M55 HydrophobicContact CD2-CE 4.26Å; L51-M55 HydrophobicContact CG-CE 3.7Å; L51-M55 HydrophobicContact CG-CG 4.34Å; L51-M55 HydrophobicContact CG-SD 4.09Å; L51-M55 WeakPolarHBondContact O-CB 3.36Å; L51-M55 WeakPolarHBondContact O-CG 3.49Å; L51-M55 PolarHBondContact O-N 3.37Å; G52-M55 PolarHBondContact O-N 3.34Å; M55-S57 VanDerWaalsContact C-N 3.34Å; M55-S57 PolarHBondContact O-N 2.88Å; M55-C58 PolarHBondContact O-N 2.88Å; M55-I59 WeakPolarHBondContact O-CD1 3.4Å; M55-I59 VanDerWaalsContact O-CG1 3.25Å; M55-I59 WeakPolarHBondContact O-CG1 3.44Å; M55-I59 PolarHBondContact O-N 2.98Å; M55-V65 HydrophobicContact CB-CG2 4.02Å; M55-V65 HydrophobicContact CG-CG1 3.92Å; M55-V65 HydrophobicContact CG-CG2 3.83Å; M55-I70 HydrophobicContact SD-CD1 4.09Å
56K83.1Confident83Confident101 Ų10182.6 Ų82.644%0.43944%0.436SS..Hα-helixtrans-60-45.2175.7-173.5177.2179.81800111.3I45 G52 L53 L54 C58 I59 D60I45-K56 HydrophobicContact CG2-CB 4.37Å; I45-K56 HydrophobicContact CG2-CD 4.38Å; G52-K56 VanDerWaalsContact O-CB 3.27Å; G52-K56 WeakPolarHBondContact O-CB 3.36Å; G52-K56 PolarHBondContact O-N 2.7Å; L53-K56 PolarHBondContact O-N 3.13Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 3.32Å; K56-C58 PolarHBondContact O-N 2.73Å; K56-I59 PolarHBondContact O-N 3.11Å; K56-D60 WeakPolarHBondContact O-CB 3.38Å; K56-D60 PolarHBondContact O-N 3.49Å
57S85.2Confident83.1Confident51 Ų5178 Ų7836%0.35742%0.416SS..Hα-helixtrans-58.8-45.9176.6-174.20000112.2L53 L54 M55 I59 D60 Q61L53-S57 WeakPolarHBondContact O-CB 3.36Å; L53-S57 PolarHBondContact O-N 3.37Å; L54-S57 WeakPolarHBondContact O-CB 3.4Å; L54-S57 PolarHBondContact O-N 2.86Å; M55-S57 VanDerWaalsContact C-N 3.34Å; M55-S57 PolarHBondContact O-N 2.88Å; S57-I59 PolarHBondContact O-N 2.87Å; S57-D60 PolarHBondContact O-N 3.32Å; S57-Q61 WeakPolarHBondContact O-CB 3.1Å; S57-Q61 WeakPolarHBondContact O-CG 3.23Å; S57-Q61 PolarHBondContact O-N 3.09Å; S57-Q61 PolarHBondContact OG-NE2 3.22Å
58C80.4Confident83.1Confident12 Ų1276.4 Ų76.48%0.08141%0.408CS..Hα-helixtrans-58.9-49174.9-66.60000111.3L54 M55 K56 D60 Q61 G62 Q63 V65L54-C58 PolarHBondContact O-N 3.35Å; L54-C58 PolarHBondContact O-SG 2.94Å; L54-C58 VanDerWaalsContact O-SG 3.4Å; M55-C58 PolarHBondContact O-N 2.88Å; K56-C58 PolarHBondContact O-N 2.73Å; C58-D60 PolarHBondContact O-N 3.21Å; C58-Q61 CarbonylContact O-C 3.5Å; C58-Q61 PolarHBondContact O-N 2.83Å; C58-G62 PolarHBondContact O-N 3.46Å; C58-G62 VanDerWaalsContact O-N 3.1Å; C58-Q63 CarbonylContact C-O 3.31Å; C58-Q63 VanDerWaalsContact C-O 3.31Å; C58-Q63 HydrophobicContact CB-CB 4.25Å; C58-Q63 WeakPolarHBondContact O-CA 3.34Å; C58-Q63 PolarHBondContact O-N 2.85Å; C58-Q63 VanDerWaalsContact O-O 3.06Å; C58-V65 HydrophobicContact CB-CG2 4.1Å
59I74.4Confident82.9Confident99 Ų9971.1 Ų71.151%0.50839%0.387SS..Hα-helixtrans-60.7-47.1180-68164000111.3I45 M55 K56 S57 Q61 G62I45-I59 HydrophobicContact CD1-CD1 3.88Å; M55-I59 WeakPolarHBondContact O-CD1 3.4Å; M55-I59 VanDerWaalsContact O-CG1 3.25Å; M55-I59 WeakPolarHBondContact O-CG1 3.44Å; M55-I59 PolarHBondContact O-N 2.98Å; K56-I59 PolarHBondContact O-N 3.11Å; S57-I59 PolarHBondContact O-N 2.87Å; I59-Q61 PolarHBondContact O-N 3.41Å; I59-G62 PolarHBondContact O-N 2.87Å
60D76.2Confident82.9Confident118 Ų11869.7 Ų69.763%0.63138%0.377SS*.Hα-helixtrans-62.7-32.1179.9-70.3-12.2000111.2K56 S57 C58 G62K56-D60 WeakPolarHBondContact O-CB 3.38Å; K56-D60 PolarHBondContact O-N 3.49Å; S57-D60 PolarHBondContact O-N 3.32Å; C58-D60 PolarHBondContact O-N 3.21Å; D60-G62 VanDerWaalsContact C-N 3.32Å
61Q77.3Confident83.1Confident119 Ų11961.4 Ų61.456%0.55634%0.339SS*.THydrogen-bonded Turntrans-85.61.2175-65.9176.119.900113.7S57 C58 I59 Q63S57-Q61 WeakPolarHBondContact O-CB 3.1Å; S57-Q61 WeakPolarHBondContact O-CG 3.23Å; S57-Q61 PolarHBondContact O-N 3.09Å; S57-Q61 PolarHBondContact OG-NE2 3.22Å; C58-Q61 CarbonylContact O-C 3.5Å; C58-Q61 PolarHBondContact O-N 2.83Å; I59-Q61 PolarHBondContact O-N 3.41Å; Q61-Q63 HydrophobicContact CB-CG 4.13Å; Q61-Q63 PolarHBondContact O-N 3.09Å
62G64.4Low83.4Confident72 Ų7268.2 Ų68.274%0.74236%0.362SS*.THydrogen-bonded Turntrans67.215.5-175.300000114.2C58 I59 D60C58-G62 PolarHBondContact O-N 3.46Å; C58-G62 VanDerWaalsContact O-N 3.1Å; I59-G62 PolarHBondContact O-N 2.87Å; D60-G62 VanDerWaalsContact C-N 3.32Å
63Q72.1Confident83.6Confident109 Ų10969.3 Ų69.351%0.50937%0.368SS..PPolyproline II helixtrans-88.6150175.5-63.2-179-2.700110.7C58 Q61C58-Q63 CarbonylContact C-O 3.31Å; C58-Q63 VanDerWaalsContact C-O 3.31Å; C58-Q63 HydrophobicContact CB-CB 4.25Å; C58-Q63 WeakPolarHBondContact O-CA 3.34Å; C58-Q63 PolarHBondContact O-N 2.85Å; C58-Q63 VanDerWaalsContact O-O 3.06Å; Q61-Q63 HydrophobicContact CB-CG 4.13Å; Q61-Q63 PolarHBondContact O-N 3.09Å
64L68.4Low83.9Confident120 Ų12064.8 Ų64.863%0.62834%0.344SS*.PPolyproline II helixtrans-79.5140.5170.9-64.4171.7000109.3Q178L64-Q178 VanDerWaalsContact CD1-NE2 3.26Å
65V80.8Confident84.3Confident24 Ų2461.9 Ų61.915%0.14533%0.329CS..PPolyproline II helixtrans-64.7130.8168.2-172.70000107.8M55 C58 I69 I70M55-V65 HydrophobicContact CB-CG2 4.02Å; M55-V65 HydrophobicContact CG-CG1 3.92Å; M55-V65 HydrophobicContact CG-CG2 3.83Å; C58-V65 HydrophobicContact CB-CG2 4.1Å; V65-I69 HydrophobicContact CG1-CB 4.44Å; V65-I69 HydrophobicContact CG1-CG2 4.29Å; V65-I70 HydrophobicContact CB-CD1 3.84Å; V65-I70 HydrophobicContact CB-CG1 3.93Å; V65-I70 HydrophobicContact CG1-CD1 3.57Å; V65-I70 HydrophobicContact CG1-CG1 3.72Å; V65-I70 HydrophobicContact CG2-CD1 4.44Å
66P87.9Confident84.7Confident55 Ų5565.7 Ų65.736%0.35735%0.349SS..PPolyproline II helixtrans-54138.7179.3-28.935.7000113.3D68 I69 I70P66-D68 VanDerWaalsContact C-N 3.28Å; P66-D68 WeakPolarHBondContact CB-OD1 3.16Å; P66-D68 PolarHBondContact O-N 3.27Å; P66-I69 HydrophobicContact CB-CD1 4.11Å; P66-I69 HydrophobicContact CB-CG1 4.16Å; P66-I69 HydrophobicContact CG-CD1 4Å; P66-I69 PolarHBondContact O-N 3.41Å; P66-I70 PolarHBondContact O-N 3.42Å
67D90.8Very high85.2Confident49 Ų4962.3 Ų62.326%0.26234%0.336SS..Hα-helixtrans-61.9-34.4-175.6-81.4-14.5000113.1I69 I70 S71 T94 Q97D67-I69 VanDerWaalsContact C-N 3.34Å; D67-I70 PolarHBondContact O-N 2.91Å; D67-S71 WeakPolarHBondContact O-CB 3.35Å; D67-S71 PolarHBondContact O-N 3.34Å; D67-S71 PolarHBondContact O-OG 3.44Å; D67-T94 PolarHBondContact OD1-OG1 3.31Å; D67-T94 WeakPolarHBondContact OD2-CB 3.41Å; D67-T94 WeakPolarHBondContact OD2-CG2 3.44Å; D67-T94 PolarHBondContact OD2-OG1 2.87Å; D67-Q97 HydrophobicContact CB-CG 4.04Å; D67-Q97 PolarHBondContact OD1-NE2 3.29Å
68D90.8Very high85.7Confident82 Ų8259.9 Ų59.944%0.43932%0.319SS..Hα-helixtrans-66.3-38.317969.9-55.5000111.4P66 R72P66-D68 VanDerWaalsContact C-N 3.28Å; P66-D68 WeakPolarHBondContact CB-OD1 3.16Å; P66-D68 PolarHBondContact O-N 3.27Å; D68-R72 WeakPolarHBondContact O-CB 3.24Å; D68-R72 WeakPolarHBondContact O-CG 3.44Å; D68-R72 PolarHBondContact O-N 3.44Å
69I89.4Confident86.4Confident43 Ų4366.9 Ų66.922%0.22134%0.344CS..Hα-helixtrans-66.5-49.8177.1-63.6-178000110.1L51 L54 V65 P66 D67 S71 R72 L73L51-I69 HydrophobicContact CD1-CG2 3.23Å; L54-I69 HydrophobicContact CD2-CD1 3.73Å; V65-I69 HydrophobicContact CG1-CB 4.44Å; V65-I69 HydrophobicContact CG1-CG2 4.29Å; P66-I69 HydrophobicContact CB-CD1 4.11Å; P66-I69 HydrophobicContact CB-CG1 4.16Å; P66-I69 HydrophobicContact CG-CD1 4Å; P66-I69 PolarHBondContact O-N 3.41Å; D67-I69 VanDerWaalsContact C-N 3.34Å; I69-S71 PolarHBondContact O-N 3.1Å; I69-R72 PolarHBondContact O-N 3.28Å; I69-L73 PolarHBondContact O-N 3.3Å; I69-L73 VanDerWaalsContact O-N 3.11Å
70I91Very high87.3Confident15 Ų1569 Ų698%0.07735%0.35CS..Hα-helixtrans-61.7-45.6177.8-61.7-66.1000110.5L41 M55 V65 P66 D67 R72 L73 I74 F91L41-I70 HydrophobicContact CD1-CD1 4.37Å; L41-I70 HydrophobicContact CD2-CD1 3.47Å; L41-I70 VanDerWaalsContact CD2-CD1 3.47Å; M55-I70 HydrophobicContact SD-CD1 4.09Å; V65-I70 HydrophobicContact CB-CD1 3.84Å; V65-I70 HydrophobicContact CB-CG1 3.93Å; V65-I70 HydrophobicContact CG1-CD1 3.57Å; V65-I70 HydrophobicContact CG1-CG1 3.72Å; V65-I70 HydrophobicContact CG2-CD1 4.44Å; P66-I70 PolarHBondContact O-N 3.42Å; D67-I70 PolarHBondContact O-N 2.91Å; I70-R72 PolarHBondContact O-N 3.14Å; I70-L73 PolarHBondContact O-N 3.25Å; I70-I74 HydrophobicContact CG2-CG1 4.28Å; I70-I74 WeakPolarHBondContact O-CG1 3.41Å; I70-I74 PolarHBondContact O-N 3.16Å; I70-F91 HydrophobicContact CG2-CD2 3.95Å; I70-F91 HydrophobicContact CG2-CE2 3.88Å
71S95Very high88.1Confident7 Ų765.2 Ų65.25%0.04933%0.329CS..Hα-helixtrans-61.2-45.3179.8-59.50000111.2D67 I69 L73 I74 L75D67-S71 WeakPolarHBondContact O-CB 3.35Å; D67-S71 PolarHBondContact O-N 3.34Å; D67-S71 PolarHBondContact O-OG 3.44Å; I69-S71 PolarHBondContact O-N 3.1Å; S71-L73 VanDerWaalsContact C-N 3.35Å; S71-L73 PolarHBondContact O-N 2.84Å; S71-I74 PolarHBondContact O-N 3.43Å; S71-L75 VanDerWaalsContact O-CB 3.23Å; S71-L75 WeakPolarHBondContact O-CB 3.44Å; S71-L75 WeakPolarHBondContact O-CG 3.28Å; S71-L75 PolarHBondContact O-N 3.35Å
72R93.6Very high88.6Confident180 Ų18061.8 Ų61.868%0.67931%0.314SS*.Hα-helixtrans-59.4-44.3177.2-75.9171.1-171.1-164.56.7112.2D68 I69 I70 N76D68-R72 WeakPolarHBondContact O-CB 3.24Å; D68-R72 WeakPolarHBondContact O-CG 3.44Å; D68-R72 PolarHBondContact O-N 3.44Å; I69-R72 PolarHBondContact O-N 3.28Å; I70-R72 PolarHBondContact O-N 3.14Å; R72-N76 WeakPolarHBondContact O-CB 3.42Å; R72-N76 PolarHBondContact O-N 2.79Å
73L92.4Very high89.8Confident24 Ų2465.7 Ų65.713%0.12632%0.318CS..Hα-helixtrans-59.1-55177.7177.965.2000111.1I40 L41 L51 I69 I70 S71 N76 D77I40-L73 HydrophobicContact CG2-CD1 4.42Å; I40-L73 HydrophobicContact CG2-CD2 3.65Å; I40-L73 HydrophobicContact CG2-CG 4.01Å; L41-L73 HydrophobicContact CD2-CD2 3.92Å; L51-L73 HydrophobicContact CD2-CB 3.99Å; L51-L73 HydrophobicContact CD2-CD1 3.72Å; L51-L73 HydrophobicContact CD2-CD2 3.61Å; L51-L73 HydrophobicContact CD2-CG 3.96Å; I69-L73 PolarHBondContact O-N 3.3Å; I69-L73 VanDerWaalsContact O-N 3.11Å; I70-L73 PolarHBondContact O-N 3.25Å; S71-L73 VanDerWaalsContact C-N 3.35Å; S71-L73 PolarHBondContact O-N 2.84Å; L73-N76 PolarHBondContact O-N 3.44Å; L73-D77 PolarHBondContact O-N 2.87Å; L73-D77 VanDerWaalsContact O-N 3.12Å
74I95.4Very high90.8Very high0 Ų063 Ų630%031%0.312CS..Hα-helixtrans-66.3-43.1-175.1-61.1-58.2000111.3M35 I40 I70 S71 N76 D77 L78 L88 F91M35-I74 HydrophobicContact SD-CG2 4.33Å; I40-I74 HydrophobicContact CB-CD1 4.41Å; I40-I74 HydrophobicContact CD1-CD1 3.87Å; I40-I74 HydrophobicContact CG2-CD1 4.29Å; I70-I74 HydrophobicContact CG2-CG1 4.28Å; I70-I74 WeakPolarHBondContact O-CG1 3.41Å; I70-I74 PolarHBondContact O-N 3.16Å; S71-I74 PolarHBondContact O-N 3.43Å; I74-N76 VanDerWaalsContact C-N 3.31Å; I74-N76 PolarHBondContact O-N 3.2Å; I74-D77 PolarHBondContact O-N 3.4Å; I74-L78 HydrophobicContact CG2-CD1 4.15Å; I74-L78 HydrophobicContact CG2-CG 4.41Å; I74-L78 WeakPolarHBondContact O-CG 3.33Å; I74-L78 PolarHBondContact O-N 3.42Å; I74-L88 HydrophobicContact CG2-CD1 3.99Å; I74-L88 HydrophobicContact CG2-CD2 4.45Å; I74-F91 HydrophobicContact CB-CD2 4.36Å; I74-F91 HydrophobicContact CB-CE2 4.43Å; I74-F91 HydrophobicContact CB-CG 4.43Å; I74-F91 HydrophobicContact CG1-CD2 3.99Å; I74-F91 HydrophobicContact CG1-CE2 4.34Å; I74-F91 HydrophobicContact CG1-CG 4.29Å; I74-F91 HydrophobicContact CG2-CB 4.38Å; I74-F91 HydrophobicContact CG2-CD1 3.93Å; I74-F91 HydrophobicContact CG2-CD2 4.43Å; I74-F91 HydrophobicContact CG2-CE1 4.26Å; I74-F91 HydrophobicContact CG2-CG 4Å
75L95.9Very high92Very high17 Ų1758.1 Ų58.19%0.08929%0.29CS..Hα-helixtrans-64.9-36.2178.4-66.2175.9000112S71 L78 R79 A100 L101 A104 F105S71-L75 VanDerWaalsContact O-CB 3.23Å; S71-L75 WeakPolarHBondContact O-CB 3.44Å; S71-L75 WeakPolarHBondContact O-CG 3.28Å; S71-L75 PolarHBondContact O-N 3.35Å; L75-L78 HydrophobicContact CD2-CD1 4.42Å; L75-L78 PolarHBondContact O-N 3.29Å; L75-R79 VanDerWaalsContact O-CG 3.27Å; L75-R79 WeakPolarHBondContact O-CG 3.39Å; L75-R79 PolarHBondContact O-N 3.11Å; L75-R79 VanDerWaalsContact O-N 3.09Å; L75-A100 HydrophobicContact CD1-CB 4.41Å; L75-L101 HydrophobicContact CD2-CD1 3.85Å; L75-A104 HydrophobicContact CD1-CB 4.21Å; L75-A104 HydrophobicContact CD2-CB 3.78Å; L75-F105 HydrophobicContact CD2-CD2 3.92Å; L75-F105 HydrophobicContact CD2-CE2 3.72Å
76N94.4Very high92.8Very high83 Ų8357 Ų5744%0.44428%0.283SS..Hα-helixtrans-65-40.5175.6-173.556.8000111.8R72 L73 I74R72-N76 WeakPolarHBondContact O-CB 3.42Å; R72-N76 PolarHBondContact O-N 2.79Å; L73-N76 PolarHBondContact O-N 3.44Å; I74-N76 VanDerWaalsContact C-N 3.31Å; I74-N76 PolarHBondContact O-N 3.2Å
77D93.5Very high93.2Very high30 Ų3054.3 Ų54.316%0.1627%0.266CS..Hα-helixtrans-70.4-40.3176.1-75.6-11.1000111.9M35 I40 L73 I74 R79 K80M35-D77 VanDerWaalsContact CE-C 3.46Å; M35-D77 HydrophobicContact CE-CB 3.72Å; M35-D77 HydrophobicContact SD-CB 4.09Å; I40-D77 HydrophobicContact CD1-CB 4.41Å; L73-D77 PolarHBondContact O-N 2.87Å; L73-D77 VanDerWaalsContact O-N 3.12Å; I74-D77 PolarHBondContact O-N 3.4Å; D77-R79 VanDerWaalsContact C-N 3.29Å; D77-R79 PolarHBondContact O-N 3.46Å; D77-K80 WeakPolarHBondContact O-CB 3.37Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 VanDerWaalsContact O-N 3.08Å; D77-K80 IonicContact OD1-NZ 3.91Å; D77-K80 PolarHBondContact OD1-NZ 3.02Å
78L94.9Very high93.5Very high0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-59.1-39.6176.3-81.2174.4000112.1M35 I74 L75 K80 I81 D82 W86 L88 L101 F105M35-L78 HydrophobicContact CB-CD2 4.46Å; M35-L78 HydrophobicContact CE-CD2 3.95Å; M35-L78 HydrophobicContact CE-CG 4.2Å; M35-L78 HydrophobicContact SD-CB 4.41Å; M35-L78 HydrophobicContact SD-CD2 3.51Å; M35-L78 VanDerWaalsContact SD-CD2 3.51Å; M35-L78 HydrophobicContact SD-CG 3.52Å; M35-L78 VanDerWaalsContact SD-CG 3.52Å; I74-L78 HydrophobicContact CG2-CD1 4.15Å; I74-L78 HydrophobicContact CG2-CG 4.41Å; I74-L78 WeakPolarHBondContact O-CG 3.33Å; I74-L78 PolarHBondContact O-N 3.42Å; L75-L78 HydrophobicContact CD2-CD1 4.42Å; L75-L78 PolarHBondContact O-N 3.29Å; L78-K80 PolarHBondContact O-N 2.92Å; L78-I81 HydrophobicContact CD2-CD1 4.29Å; L78-I81 CarbonylContact O-C 3.57Å; L78-I81 VanDerWaalsContact O-CG1 3.25Å; L78-I81 WeakPolarHBondContact O-CG1 3.42Å; L78-I81 PolarHBondContact O-N 3.35Å; L78-D82 PolarHBondContact O-N 3.4Å; L78-D82 VanDerWaalsContact O-N 3.15Å; L78-W86 HydrophobicContact CD1-CH2 4.44Å; L78-W86 HydrophobicContact CD2-CD2 3.9Å; L78-W86 HydrophobicContact CD2-CE3 4.06Å; L78-W86 HydrophobicContact CD2-CG 4.27Å; L78-W86 HydrophobicContact CD2-CZ2 4.39Å; L78-W86 HydrophobicContact CD2-CZ3 4.39Å; L78-L88 HydrophobicContact CD1-CD2 3.97Å; L78-L88 HydrophobicContact CD2-CD1 4.38Å; L78-L101 HydrophobicContact CD1-CD1 3.8Å; L78-F105 HydrophobicContact CB-CE2 3.8Å; L78-F105 HydrophobicContact CB-CZ 3.82Å; L78-F105 HydrophobicContact CD1-CD2 4.31Å; L78-F105 HydrophobicContact CD1-CE2 4.03Å
79R94.8Very high93.7Very high158 Ų15848.8 Ų48.860%0.59624%0.236SC*.Hα-helixtrans-59.6-28.4177.2-74.4171.8-170164.82.4113.1L75 D77 I81 D82 F105L75-R79 VanDerWaalsContact O-CG 3.27Å; L75-R79 WeakPolarHBondContact O-CG 3.39Å; L75-R79 PolarHBondContact O-N 3.11Å; L75-R79 VanDerWaalsContact O-N 3.09Å; D77-R79 VanDerWaalsContact C-N 3.29Å; D77-R79 PolarHBondContact O-N 3.46Å; R79-I81 PolarHBondContact O-N 3.09Å; R79-D82 PolarHBondContact O-N 2.94Å; R79-F105 HydrophobicContact CG-CZ 3.88Å
80K94.1Very high93.7Very high145 Ų14547.4 Ų47.463%0.6323%0.232SC*.Hα-helixtrans-68.6-23.6177.4-60.3170.4-175164.20112.4D77 L78D77-K80 WeakPolarHBondContact O-CB 3.37Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 VanDerWaalsContact O-N 3.08Å; D77-K80 IonicContact OD1-NZ 3.91Å; D77-K80 PolarHBondContact OD1-NZ 3.02Å; L78-K80 PolarHBondContact O-N 2.92Å
81I92.9Very high93.9Very high37 Ų3746.8 Ų46.819%0.1923%0.229CC..THydrogen-bonded Turntrans-113.811.1-178.564.8169.5000113Q33 M35 L78 R79 N83 S84 W86Q33-I81 HydrophobicContact CB-CD1 3.96Å; M35-I81 HydrophobicContact CE-CD1 3.72Å; M35-I81 HydrophobicContact CE-CG1 4.19Å; L78-I81 HydrophobicContact CD2-CD1 4.29Å; L78-I81 CarbonylContact O-C 3.57Å; L78-I81 VanDerWaalsContact O-CG1 3.25Å; L78-I81 WeakPolarHBondContact O-CG1 3.42Å; L78-I81 PolarHBondContact O-N 3.35Å; R79-I81 PolarHBondContact O-N 3.09Å; I81-N83 PolarHBondContact O-N 2.94Å; I81-N83 VanDerWaalsContact O-N 3.13Å; I81-S84 PolarHBondContact O-N 3.22Å; I81-S84 VanDerWaalsContact O-O 3.09Å; I81-W86 HydrophobicContact CD1-CB 3.71Å; I81-W86 HydrophobicContact CD1-CG 4.21Å; I81-W86 HydrophobicContact CG1-CB 4.49Å
82D88.8Confident93.9Very high47 Ų4746.6 Ų46.625%0.25123%0.228SC..THydrogen-bonded Turntrans-65.6-21.4-170.4-166.133.6000114.4R8 L78 R79 S84 F105R8-D82 IonicContact CZ-OD1 3.35Å; R8-D82 VanDerWaalsContact CZ-OD1 3.29Å; R8-D82 IonicContact NE-OD1 3.48Å; R8-D82 PolarHBondContact NE-OD1 2.87Å; R8-D82 VanDerWaalsContact NH2-CG 3.3Å; R8-D82 IonicContact NH2-OD1 2.65Å; R8-D82 PolarHBondContact NH2-OD1 2.95Å; R8-D82 IonicContact NH2-OD2 3.29Å; R8-D82 PolarHBondContact NH2-OD2 3.47Å; L78-D82 PolarHBondContact O-N 3.4Å; L78-D82 VanDerWaalsContact O-N 3.15Å; R79-D82 PolarHBondContact O-N 2.94Å; D82-S84 PolarHBondContact O-N 2.93Å; D82-F105 HydrophobicContact CB-CE1 4.29Å; D82-F105 WeakPolarHBondContact OD1-CE1 3.43Å
83N89.6Confident93.9Very high154 Ų15443.2 Ų43.282%0.82422%0.215SC*.THydrogen-bonded Turntrans-76.5-1.8174.2-63.5-32.2000113.1I81I81-N83 PolarHBondContact O-N 2.94Å; I81-N83 VanDerWaalsContact O-N 3.13Å
84S91.4Very high94Very high54 Ų5443 Ų4338%0.37821%0.214SC..SBendtrans-127.4151.4-177.7-650000110.9V6 I81 D82 W86V6-S84 VanDerWaalsContact CG1-C 3.43Å; V6-S84 WeakPolarHBondContact CG1-O 3.3Å; I81-S84 PolarHBondContact O-N 3.22Å; I81-S84 VanDerWaalsContact O-O 3.09Å; D82-S84 PolarHBondContact O-N 2.93Å; S84-W86 VanDerWaalsContact O-CD1 3.26Å
85G94.3Very high94Very high16 Ų1645.2 Ų45.217%0.16523%0.228CC..  trans-63.9138.5173.700000110.7I7 Q33I7-G85 CarbonylContact O-C 3.58Å; I7-G85 WeakPolarHBondContact O-CA 3.38Å; Q33-G85 PolarHBondContact N-O 3.13Å
86W96.9Very high94.1Very high0 Ų047.7 Ų47.70%025%0.247CC..EExtended strand (participates in β ladder)trans-137.7150.4-176.151.4-105.9000113.9I7 R8 A9 Q33 L78 I81 S84 L88 F105 L107I7-W86 PolarHBondContact O-N 3.44Å; R8-W86 HydrophobicContact CB-CD2 4.29Å; R8-W86 HydrophobicContact CB-CE3 4.39Å; R8-W86 HydrophobicContact CB-CH2 3.78Å; R8-W86 HydrophobicContact CB-CZ2 3.64Å; R8-W86 HydrophobicContact CB-CZ3 4.15Å; R8-W86 HydrophobicContact CG-CD2 4.22Å; R8-W86 HydrophobicContact CG-CH2 4.23Å; R8-W86 HydrophobicContact CG-CZ2 3.54Å; A9-W86 PolarHBondContact N-O 3.11Å; Q33-W86 HydrophobicContact CB-CB 4.28Å; Q33-W86 CarbonylContact O-C 3.54Å; Q33-W86 VanDerWaalsContact O-CA 3.29Å; Q33-W86 WeakPolarHBondContact O-CA 3.48Å; L78-W86 HydrophobicContact CD1-CH2 4.44Å; L78-W86 HydrophobicContact CD2-CD2 3.9Å; L78-W86 HydrophobicContact CD2-CE3 4.06Å; L78-W86 HydrophobicContact CD2-CG 4.27Å; L78-W86 HydrophobicContact CD2-CZ2 4.39Å; L78-W86 HydrophobicContact CD2-CZ3 4.39Å; I81-W86 HydrophobicContact CD1-CB 3.71Å; I81-W86 HydrophobicContact CD1-CG 4.21Å; I81-W86 HydrophobicContact CG1-CB 4.49Å; S84-W86 VanDerWaalsContact O-CD1 3.26Å; W86-L88 HydrophobicContact CE3-CB 4.17Å; W86-L88 HydrophobicContact CZ3-CB 4.02Å; W86-F105 HydrophobicContact CH2-CB 4.36Å; W86-F105 HydrophobicContact CZ2-CB 4.07Å; W86-F105 HydrophobicContact CZ2-CD1 4.14Å; W86-F105 HydrophobicContact CZ2-CD2 4.49Å; W86-F105 AromaticContact CZ2-CG 3.99Å; W86-F105 HydrophobicContact CZ2-CG 3.99Å; W86-L107 HydrophobicContact CH2-CD2 3.47Å; W86-L107 VanDerWaalsContact CH2-CD2 3.47Å; W86-L107 HydrophobicContact CZ3-CD2 3.91Å
87L97.7Very high94.2Very high0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-116.9118.3170.2-179.170.1000109A9 I11 I26 I27 L32 Q33 M35A9-L87 HydrophobicContact CB-CD1 3.83Å; A9-L87 WeakPolarHBondContact O-CA 3.43Å; I11-L87 HydrophobicContact CB-CD1 4.17Å; I11-L87 HydrophobicContact CG2-CD1 4.18Å; I11-L87 HydrophobicContact CG2-CD2 4.29Å; I11-L87 HydrophobicContact CG2-CG 4.23Å; I26-L87 HydrophobicContact CB-CD2 4.04Å; I26-L87 HydrophobicContact CD1-CD2 4.14Å; I26-L87 HydrophobicContact CG2-CD2 3.97Å; I27-L87 HydrophobicContact CG1-CD2 4.43Å; L32-L87 HydrophobicContact CB-CB 4.48Å; L32-L87 HydrophobicContact CD1-CB 4.26Å; Q33-L87 PolarHBondContact O-N 2.83Å; M35-L87 PolarHBondContact N-O 3.02Å
88L97.6Very high94.4Very high0 Ų042.9 Ų42.90%022%0.221CC..EExtended strand (participates in β ladder)trans-95.7121176.3-17462.2000110.6A9 V10 I11 M35 I74 L78 W86 F91 L101A9-L88 PolarHBondContact O-N 3.49Å; V10-L88 WeakPolarHBondContact CA-O 3.2Å; V10-L88 HydrophobicContact CG2-CB 4.23Å; V10-L88 HydrophobicContact CG2-CD2 4.37Å; I11-L88 PolarHBondContact N-O 3.4Å; M35-L88 HydrophobicContact CB-CD1 3.87Å; M35-L88 HydrophobicContact CG-CD1 3.78Å; M35-L88 WeakPolarHBondContact O-CA 3.29Å; M35-L88 HydrophobicContact SD-CD1 4.04Å; I74-L88 HydrophobicContact CG2-CD1 3.99Å; I74-L88 HydrophobicContact CG2-CD2 4.45Å; L78-L88 HydrophobicContact CD1-CD2 3.97Å; L78-L88 HydrophobicContact CD2-CD1 4.38Å; W86-L88 HydrophobicContact CE3-CB 4.17Å; W86-L88 HydrophobicContact CZ3-CB 4.02Å; L88-F91 HydrophobicContact CD1-CB 4.36Å; L88-F91 HydrophobicContact CD2-CB 4.16Å; L88-F91 HydrophobicContact CD2-CD1 3.67Å; L88-F91 HydrophobicContact CD2-CG 4.38Å; L88-F91 WeakPolarHBondContact CD2-O 3.32Å; L88-F91 HydrophobicContact CG-CB 4.24Å; L88-F91 WeakPolarHBondContact CG-O 3.36Å; L88-L101 HydrophobicContact CD2-CD1 4.25Å; L88-L101 HydrophobicContact CD2-CD2 3.82Å
89D94.6Very high94.5Very high14 Ų1447.2 Ų47.28%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-112.7121.5-179.4-171.5-18.8000110.6I11 S23 H34 M35 S36 S37I11-D89 HydrophobicContact CG2-CB 3.74Å; S23-D89 PolarHBondContact OG-OD2 3.15Å; H34-D89 IonicContact NE2-OD2 2.71Å; M35-D89 PolarHBondContact O-N 2.69Å; S36-D89 WeakPolarHBondContact CA-O 3.21Å; S37-D89 PolarHBondContact N-O 3.09Å
90G88.9Confident94.7Very high14 Ų1441 Ų4114%0.14422%0.223CC..SBendtrans85.88.6172.700000115.5S37 R93S37-G90 PolarHBondContact OG-O 2.87Å; G90-R93 WeakPolarHBondContact O-CG 3.39Å; G90-R93 PolarHBondContact O-NE 3.09Å
91F94.6Very high94.9Very high3 Ų334.1 Ų34.11%0.01319%0.193CC..  trans-138.7141.5166.5-178.3-83.3000108.4V10 I70 I74 L88 Q97 L101V10-F91 WeakPolarHBondContact CG1-O 3.4Å; I70-F91 HydrophobicContact CG2-CD2 3.95Å; I70-F91 HydrophobicContact CG2-CE2 3.88Å; I74-F91 HydrophobicContact CB-CD2 4.36Å; I74-F91 HydrophobicContact CB-CE2 4.43Å; I74-F91 HydrophobicContact CB-CG 4.43Å; I74-F91 HydrophobicContact CG1-CD2 3.99Å; I74-F91 HydrophobicContact CG1-CE2 4.34Å; I74-F91 HydrophobicContact CG1-CG 4.29Å; I74-F91 HydrophobicContact CG2-CB 4.38Å; I74-F91 HydrophobicContact CG2-CD1 3.93Å; I74-F91 HydrophobicContact CG2-CD2 4.43Å; I74-F91 HydrophobicContact CG2-CE1 4.26Å; I74-F91 HydrophobicContact CG2-CG 4Å; L88-F91 HydrophobicContact CD1-CB 4.36Å; L88-F91 HydrophobicContact CD2-CB 4.16Å; L88-F91 HydrophobicContact CD2-CD1 3.67Å; L88-F91 HydrophobicContact CD2-CG 4.38Å; L88-F91 WeakPolarHBondContact CD2-O 3.32Å; L88-F91 HydrophobicContact CG-CB 4.24Å; L88-F91 WeakPolarHBondContact CG-O 3.36Å; F91-Q97 HydrophobicContact CD2-CB 4.42Å; F91-Q97 HydrophobicContact CD2-CG 4.42Å; F91-Q97 HydrophobicContact CE1-CB 4.44Å; F91-Q97 HydrophobicContact CE2-CB 3.66Å; F91-Q97 HydrophobicContact CE2-CG 3.61Å; F91-Q97 HydrophobicContact CZ-CB 3.67Å; F91-Q97 HydrophobicContact CZ-CG 4.06Å; F91-L101 HydrophobicContact CD1-CD2 4.31Å; F91-L101 HydrophobicContact CE1-CB 4.07Å; F91-L101 HydrophobicContact CE1-CD1 4.43Å; F91-L101 HydrophobicContact CE1-CD2 4.35Å
92P95.9Very high95Very high3 Ų334.6 Ų34.62%0.01920%0.197CC..  cis-77.9158.8-2.433.2-37.2000113.4Q97 A98 L101 V182 Y186P92-Q97 HydrophobicContact CB-CB 3.55Å; P92-A98 HydrophobicContact CB-CB 3.94Å; P92-A98 HydrophobicContact CG-CB 3.69Å; P92-L101 HydrophobicContact CG-CD2 4.44Å; P92-V182 HydrophobicContact CG-CG1 3.88Å; P92-Y186 HydrophobicContact CG-CE2 3.77Å; P92-Y186 WeakPolarHBondContact CG-OH 3.42Å
93R92.9Very high95.4Very high108 Ų10838.9 Ų38.941%0.40822%0.22SC..  trans-117.3-14175.5-64.5-169.7-174.9179.14114.5G90 Q178 T179G90-R93 WeakPolarHBondContact O-CG 3.39Å; G90-R93 PolarHBondContact O-NE 3.09Å; R93-Q178 CarbonylContact O-C 3.1Å; R93-T179 VanDerWaalsContact O-CA 3.28Å; R93-T179 WeakPolarHBondContact O-CA 3.15Å; R93-T179 PolarHBondContact O-N 3.12Å; R93-T179 PolarHBondContact O-OG1 3.02Å
94T94.6Very high95.7Very high19 Ų1933.6 Ų33.612%0.11720%0.197CC..SBendtrans-129161.8175.871.20000109.3D67 S96 Q97 A98 Q178 V182D67-T94 PolarHBondContact OD1-OG1 3.31Å; D67-T94 WeakPolarHBondContact OD2-CB 3.41Å; D67-T94 WeakPolarHBondContact OD2-CG2 3.44Å; D67-T94 PolarHBondContact OD2-OG1 2.87Å; T94-S96 VanDerWaalsContact C-N 3.32Å; T94-S96 PolarHBondContact O-N 2.86Å; T94-Q97 PolarHBondContact O-N 3.2Å; T94-Q97 VanDerWaalsContact OG1-CG 3.27Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.36Å; T94-Q97 PolarHBondContact OG1-N 3.21Å; T94-A98 PolarHBondContact O-N 3.21Å; T94-Q178 HydrophobicContact CG2-CB 4.42Å; T94-V182 WeakPolarHBondContact O-CG2 3.2Å
95V96.4Very high95.9Very high48 Ų4831.3 Ų31.329%0.29118%0.18SC..Hα-helixtrans-62.5-41.1177.9178.60000110.9Q97 A98 E99 P181 V182 F185V95-Q97 VanDerWaalsContact C-N 3.3Å; V95-Q97 PolarHBondContact O-N 2.9Å; V95-A98 CarbonylContact O-C 3.6Å; V95-A98 WeakPolarHBondContact O-CA 3.43Å; V95-A98 WeakPolarHBondContact O-CB 3.41Å; V95-A98 PolarHBondContact O-N 3.12Å; V95-E99 HydrophobicContact CG1-CG 4.3Å; V95-E99 WeakPolarHBondContact O-CG 3.38Å; V95-E99 PolarHBondContact O-N 2.95Å; V95-P181 HydrophobicContact CG2-CB 3.75Å; V95-V182 HydrophobicContact CG2-CG2 4.34Å; V95-F185 HydrophobicContact CG1-CD2 4.35Å
96S96.6Very high95.9Very high68 Ų6834.4 Ų34.448%0.47620%0.2SC..Hα-helixtrans-61.5-37177.7-57.50000112.8T94 A100T94-S96 VanDerWaalsContact C-N 3.32Å; T94-S96 PolarHBondContact O-N 2.86Å; S96-A100 WeakPolarHBondContact O-CB 3.28Å; S96-A100 PolarHBondContact O-N 3.26Å
97Q97.1Very high95.8Very high12 Ų1235 Ų356%0.05620%0.203CC..Hα-helixtrans-66.4-38.2171.4-70.1174.91500112D67 F91 P92 T94 V95 A100 L101D67-Q97 HydrophobicContact CB-CG 4.04Å; D67-Q97 PolarHBondContact OD1-NE2 3.29Å; F91-Q97 HydrophobicContact CD2-CB 4.42Å; F91-Q97 HydrophobicContact CD2-CG 4.42Å; F91-Q97 HydrophobicContact CE1-CB 4.44Å; F91-Q97 HydrophobicContact CE2-CB 3.66Å; F91-Q97 HydrophobicContact CE2-CG 3.61Å; F91-Q97 HydrophobicContact CZ-CB 3.67Å; F91-Q97 HydrophobicContact CZ-CG 4.06Å; P92-Q97 HydrophobicContact CB-CB 3.55Å; T94-Q97 PolarHBondContact O-N 3.2Å; T94-Q97 VanDerWaalsContact OG1-CG 3.27Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.36Å; T94-Q97 PolarHBondContact OG1-N 3.21Å; V95-Q97 VanDerWaalsContact C-N 3.3Å; V95-Q97 PolarHBondContact O-N 2.9Å; Q97-A100 PolarHBondContact O-N 3.04Å; Q97-L101 WeakPolarHBondContact O-CB 3.48Å; Q97-L101 PolarHBondContact O-N 2.99Å
98A97.7Very high95.8Very high0 Ų035.5 Ų35.50%021%0.205CC..Hα-helixtrans-67.6-40.5178.800000112.3P92 T94 V95 L101 D102 V182 F185 Y186P92-A98 HydrophobicContact CB-CB 3.94Å; P92-A98 HydrophobicContact CG-CB 3.69Å; T94-A98 PolarHBondContact O-N 3.21Å; V95-A98 CarbonylContact O-C 3.6Å; V95-A98 WeakPolarHBondContact O-CA 3.43Å; V95-A98 WeakPolarHBondContact O-CB 3.41Å; V95-A98 PolarHBondContact O-N 3.12Å; A98-L101 PolarHBondContact O-N 3.26Å; A98-D102 VanDerWaalsContact O-CB 3.3Å; A98-D102 WeakPolarHBondContact O-CB 3.45Å; A98-D102 PolarHBondContact O-N 2.87Å; A98-V182 HydrophobicContact CB-CG1 3.74Å; A98-F185 HydrophobicContact CB-CD1 3.77Å; A98-F185 HydrophobicContact CB-CE1 3.85Å; A98-F185 HydrophobicContact CB-CG 4.39Å; A98-Y186 HydrophobicContact CB-CE2 4.17Å
99E97.6Very high95.7Very high91 Ų9135.5 Ų35.543%0.42521%0.205SC..Hα-helixtrans-62.3-45.3171.6-69.7172.715800111.3V95 L101 D102 N103 F185V95-E99 HydrophobicContact CG1-CG 4.3Å; V95-E99 WeakPolarHBondContact O-CG 3.38Å; V95-E99 PolarHBondContact O-N 2.95Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 2.85Å; E99-D102 PolarHBondContact O-N 3.3Å; E99-N103 WeakPolarHBondContact O-CB 3.36Å; E99-N103 PolarHBondContact O-N 3.41Å; E99-N103 PolarHBondContact O-ND2 2.91Å; E99-N103 VanDerWaalsContact O-ND2 3.09Å; E99-F185 HydrophobicContact CG-CE2 3.8Å; E99-F185 HydrophobicContact CG-CZ 4.14Å
100A97.9Very high95.9Very high28 Ų2834.8 Ų34.823%0.23120%0.202CC..Hα-helixtrans-60.7-39.7176.300000112.2L75 S96 Q97 A104L75-A100 HydrophobicContact CD1-CB 4.41Å; S96-A100 WeakPolarHBondContact O-CB 3.28Å; S96-A100 PolarHBondContact O-N 3.26Å; Q97-A100 PolarHBondContact O-N 3.04Å; A100-A104 PolarHBondContact O-N 2.97Å
101L97.9Very high96.4Very high0 Ų034.1 Ų34.10%020%0.195CC..Hα-helixtrans-66-48.3175.6-174.158.8000112.1V10 L75 L78 L88 F91 P92 Q97 A98 E99 N103 A104 F105 L107V10-L101 HydrophobicContact CG2-CD2 3.91Å; L75-L101 HydrophobicContact CD2-CD1 3.85Å; L78-L101 HydrophobicContact CD1-CD1 3.8Å; L88-L101 HydrophobicContact CD2-CD1 4.25Å; L88-L101 HydrophobicContact CD2-CD2 3.82Å; F91-L101 HydrophobicContact CD1-CD2 4.31Å; F91-L101 HydrophobicContact CE1-CB 4.07Å; F91-L101 HydrophobicContact CE1-CD1 4.43Å; F91-L101 HydrophobicContact CE1-CD2 4.35Å; P92-L101 HydrophobicContact CG-CD2 4.44Å; Q97-L101 WeakPolarHBondContact O-CB 3.48Å; Q97-L101 PolarHBondContact O-N 2.99Å; A98-L101 PolarHBondContact O-N 3.26Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 2.85Å; L101-N103 VanDerWaalsContact C-N 3.32Å; L101-N103 PolarHBondContact O-N 3.23Å; L101-A104 PolarHBondContact O-N 3.45Å; L101-A104 VanDerWaalsContact O-N 3.1Å; L101-F105 HydrophobicContact CD1-CD2 3.93Å; L101-F105 PolarHBondContact O-N 3.2Å; L101-L107 HydrophobicContact CD2-CD1 4.03Å; L101-L107 HydrophobicContact CD2-CD2 4.31Å; L101-L107 HydrophobicContact CG-CD1 4.48Å; L101-L107 HydrophobicContact CG-CD2 4.47Å
102D96.4Very high96.5Very high48 Ų4834.4 Ų34.426%0.25720%0.196SC..Hα-helixtrans-65.4-35.2-177.3-173.588.1000112.3A98 E99 A104 F185 K189A98-D102 VanDerWaalsContact O-CB 3.3Å; A98-D102 WeakPolarHBondContact O-CB 3.45Å; A98-D102 PolarHBondContact O-N 2.87Å; E99-D102 PolarHBondContact O-N 3.3Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3Å; D102-F185 HydrophobicContact CB-CE1 4.28Å; D102-F185 HydrophobicContact CB-CZ 4.15Å; D102-K189 VanDerWaalsContact OD1-CE 3.29Å; D102-K189 WeakPolarHBondContact OD1-CE 3.21Å; D102-K189 IonicContact OD1-NZ 2.7Å; D102-K189 PolarHBondContact OD1-NZ 3.1Å; D102-K189 WeakPolarHBondContact OD2-CE 3.23Å; D102-K189 IonicContact OD2-NZ 3.37Å; D102-K189 PolarHBondContact OD2-NZ 3.33Å
103N96.8Very high96.6Very high137 Ų13734.3 Ų34.373%0.73320%0.195SC*.Hα-helixtrans-66.6-29.9173-74-31.1000113E99 L101E99-N103 WeakPolarHBondContact O-CB 3.36Å; E99-N103 PolarHBondContact O-N 3.41Å; E99-N103 PolarHBondContact O-ND2 2.91Å; E99-N103 VanDerWaalsContact O-ND2 3.09Å; L101-N103 VanDerWaalsContact C-N 3.32Å; L101-N103 PolarHBondContact O-N 3.23Å
104A96.4Very high96.6Very high42 Ų4232.7 Ų32.735%0.34720%0.195SC..Hα-helixtrans-91.5-34.2-17800000112.9L75 A100 L101 D102L75-A104 HydrophobicContact CD1-CB 4.21Å; L75-A104 HydrophobicContact CD2-CB 3.78Å; A100-A104 PolarHBondContact O-N 2.97Å; L101-A104 PolarHBondContact O-N 3.45Å; L101-A104 VanDerWaalsContact O-N 3.1Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3Å
105F95.5Very high96.6Very high6 Ų632 Ų323%0.02619%0.191CC..  trans-143.4131.1-172.6-60.4-78.9000111.6L75 L78 R79 D82 W86 L101 L107L75-F105 HydrophobicContact CD2-CD2 3.92Å; L75-F105 HydrophobicContact CD2-CE2 3.72Å; L78-F105 HydrophobicContact CB-CE2 3.8Å; L78-F105 HydrophobicContact CB-CZ 3.82Å; L78-F105 HydrophobicContact CD1-CD2 4.31Å; L78-F105 HydrophobicContact CD1-CE2 4.03Å; R79-F105 HydrophobicContact CG-CZ 3.88Å; D82-F105 HydrophobicContact CB-CE1 4.29Å; D82-F105 WeakPolarHBondContact OD1-CE1 3.43Å; W86-F105 HydrophobicContact CH2-CB 4.36Å; W86-F105 HydrophobicContact CZ2-CB 4.07Å; W86-F105 HydrophobicContact CZ2-CD1 4.14Å; W86-F105 HydrophobicContact CZ2-CD2 4.49Å; W86-F105 AromaticContact CZ2-CG 3.99Å; W86-F105 HydrophobicContact CZ2-CG 3.99Å; L101-F105 HydrophobicContact CD1-CD2 3.93Å; L101-F105 PolarHBondContact O-N 3.2Å; F105-L107 PolarHBondContact O-N 3.17Å
106S93.7Very high96.3Very high82 Ų8232.5 Ų32.557%0.57320%0.195SC*.  trans-75118.8167.2-173.20000110R8R8-S106 VanDerWaalsContact CD-O 3.28Å; R8-S106 WeakPolarHBondContact CD-O 3.47Å
107L95.8Very high95.8Very high13 Ų1333.8 Ų33.87%0.06819%0.192CC..  trans-87.2138.3178.1-60.6-179.3000111.3R8 V10 W86 L101 F105 V110 Y186R8-L107 HydrophobicContact CB-CD2 4.36Å; V10-L107 HydrophobicContact CG2-CD1 3.75Å; V10-L107 HydrophobicContact CG2-CD2 4.04Å; W86-L107 HydrophobicContact CH2-CD2 3.47Å; W86-L107 VanDerWaalsContact CH2-CD2 3.47Å; W86-L107 HydrophobicContact CZ3-CD2 3.91Å; L101-L107 HydrophobicContact CD2-CD1 4.03Å; L101-L107 HydrophobicContact CD2-CD2 4.31Å; L101-L107 HydrophobicContact CG-CD1 4.48Å; L101-L107 HydrophobicContact CG-CD2 4.47Å; F105-L107 PolarHBondContact O-N 3.17Å; L107-V110 HydrophobicContact CD1-CG2 3.98Å; L107-Y186 HydrophobicContact CD1-CD1 4.47Å; L107-Y186 HydrophobicContact CD1-CE1 3.6Å
108D95.9Very high95.2Very high9 Ų938.2 Ų38.25%0.04821%0.213CC..SBendtrans-83.5-35.5174.9-65.1-59.5000112R5 I7 R8 K214 L218R5-D108 IonicContact CZ-OD1 3.51Å; R5-D108 IonicContact NE-OD1 2.81Å; R5-D108 PolarHBondContact NE-OD1 2.72Å; R5-D108 IonicContact NH2-OD1 2.61Å; R5-D108 PolarHBondContact NH2-OD1 3.4Å; I7-D108 WeakPolarHBondContact CA-OD2 3.13Å; R8-D108 PolarHBondContact N-OD2 3.23Å; R8-D108 PolarHBondContact O-N 2.96Å; D108-K214 WeakPolarHBondContact O-CE 3.44Å; D108-K214 PolarHBondContact O-NZ 3.47Å; D108-L218 HydrophobicContact CB-CD1 3.83Å
109T97.4Very high94.8Very high0 Ų039.3 Ų39.30%022%0.219CC..EExtended strand (participates in β ladder)trans-160.6149.7179.8-168.40000112.9A9 V10 I111 V191 F210 L211 F215A9-T109 WeakPolarHBondContact CA-O 3.5Å; A9-T109 HydrophobicContact CB-CG2 3.86Å; V10-T109 PolarHBondContact N-O 3.49Å; V10-T109 VanDerWaalsContact N-O 3.08Å; T109-I111 HydrophobicContact CG2-CG1 4.42Å; T109-V191 CarbonylContact C-O 3.48Å; T109-V191 WeakPolarHBondContact CA-O 3.31Å; T109-V191 PolarHBondContact OG1-O 3.48Å; T109-F210 HydrophobicContact CG2-CE1 4.46Å; T109-F210 WeakPolarHBondContact OG1-CE1 3.47Å; T109-F210 WeakPolarHBondContact OG1-CZ 3.34Å; T109-L211 HydrophobicContact CG2-CD2 4.22Å; T109-F215 HydrophobicContact CG2-CE1 4.4Å
110V98.3Very high94.4Very high0 Ų035.1 Ų35.10%020%0.2CC..EExtended strand (participates in β ladder)trans-119.2121.3168.3-178.20000107.7V10 M12 L107 Y186 V191 L192 E193V10-V110 HydrophobicContact CB-CG1 4.2Å; V10-V110 HydrophobicContact CB-CG2 4.15Å; V10-V110 HydrophobicContact CG1-CG1 4.24Å; V10-V110 CarbonylContact O-C 3.58Å; V10-V110 WeakPolarHBondContact O-CA 3.34Å; M12-V110 HydrophobicContact CG-CG1 3.81Å; M12-V110 HydrophobicContact SD-CG1 3.63Å; L107-V110 HydrophobicContact CD1-CG2 3.98Å; V110-Y186 HydrophobicContact CB-CD2 4.32Å; V110-Y186 HydrophobicContact CB-CG 4.27Å; V110-Y186 HydrophobicContact CG1-CD2 3.94Å; V110-Y186 HydrophobicContact CG1-CE2 4.45Å; V110-Y186 HydrophobicContact CG1-CG 4.36Å; V110-Y186 HydrophobicContact CG2-CD1 3.78Å; V110-Y186 HydrophobicContact CG2-CD2 3.82Å; V110-Y186 HydrophobicContact CG2-CE1 4.11Å; V110-Y186 HydrophobicContact CG2-CE2 4.11Å; V110-Y186 HydrophobicContact CG2-CG 3.65Å; V110-V191 HydrophobicContact CG2-CG2 4.03Å; V110-V191 PolarHBondContact N-O 3.42Å; V110-L192 HydrophobicContact CB-CD1 4.1Å; V110-L192 HydrophobicContact CG1-CD1 3.8Å; V110-L192 CarbonylContact O-C 3.58Å; V110-L192 WeakPolarHBondContact O-CA 3.24Å; V110-E193 PolarHBondContact O-N 3.48Å
111I98.4Very high93.7Very high0 Ų038.8 Ų38.80%021%0.211CC..EExtended strand (participates in β ladder)trans-99.5118.2-178.2-57.8162.6000107.4V10 I11 M12 I26 T109 L113 F195 L211V10-I111 PolarHBondContact O-N 2.84Å; I11-I111 CarbonylContact C-O 3.59Å; I11-I111 WeakPolarHBondContact CA-O 3.33Å; I11-I111 HydrophobicContact CG1-CB 4.38Å; I11-I111 HydrophobicContact CG1-CG2 4.4Å; M12-I111 PolarHBondContact N-O 2.77Å; I26-I111 HydrophobicContact CD1-CD1 3.72Å; T109-I111 HydrophobicContact CG2-CG1 4.42Å; I111-L113 HydrophobicContact CG2-CD2 4.46Å; I111-F195 HydrophobicContact CG2-CD2 3.9Å; I111-F195 HydrophobicContact CG2-CE2 3.89Å; I111-L211 HydrophobicContact CD1-CD1 4.11Å; I111-L211 HydrophobicContact CD1-CD2 3.8Å; I111-L211 HydrophobicContact CD1-CG 4.42Å; I111-L211 HydrophobicContact CG1-CD2 4.4Å
112N97.8Very high93Very high9 Ų943.3 Ų43.35%0.04823%0.232CC..EExtended strand (participates in β ladder)trans-106.2129.1174.7176.146.6000110.9L183 L192 E193 S194 F195N112-L183 HydrophobicContact CB-CD2 4.02Å; N112-L192 HydrophobicContact CB-CD1 3.82Å; N112-E193 PolarHBondContact N-O 3.35Å; N112-S194 PolarHBondContact ND2-OG 2.9Å; N112-S194 WeakPolarHBondContact O-CA 3.4Å; N112-F195 PolarHBondContact O-N 2.81Å
113L96.8Very high92.6Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-96.3105.8170.9-58.4-174.3000109.6I11 M12 P14 K19 M22 I111 F195 I203I11-L113 HydrophobicContact CD1-CD1 4.25Å; I11-L113 HydrophobicContact CD1-CG 4.47Å; M12-L113 PolarHBondContact O-N 3.08Å; P14-L113 WeakPolarHBondContact CD-O 3.37Å; K19-L113 HydrophobicContact CG-CD1 4.06Å; M22-L113 HydrophobicContact CB-CD1 3.94Å; M22-L113 HydrophobicContact CE-CD1 4.2Å; M22-L113 HydrophobicContact CE-CD2 3.77Å; M22-L113 HydrophobicContact CG-CD1 4.22Å; M22-L113 HydrophobicContact CG-CD2 4.33Å; I111-L113 HydrophobicContact CG2-CD2 4.46Å; L113-F195 HydrophobicContact CD2-CB 4.39Å; L113-I203 HydrophobicContact CD2-CG2 4.18Å
114D94.4Very high91.9Very high74 Ų7435.5 Ų35.540%0.39619%0.189SC..EExtended strand (participates in β ladder)trans-93.8104.5177.717627.4000109.6F195 T196 G197D114-F195 PolarHBondContact N-O 3.47Å; D114-T196 VanDerWaalsContact O-CA 3.23Å; D114-T196 WeakPolarHBondContact O-CA 3.28Å; D114-T196 WeakPolarHBondContact OD2-CG2 3.32Å; D114-T196 PolarHBondContact OD2-OG1 2.82Å; D114-G197 PolarHBondContact O-N 3.24Å
115V92.9Very high91.1Very high6 Ų637 Ų374%0.03619%0.193CC..  trans-123134.5-175.9-178.80000108F117 T119 I120 G197 I203V115-F117 PolarHBondContact O-N 3.3Å; V115-T119 HydrophobicContact CG1-CG2 3.91Å; V115-I120 HydrophobicContact CB-CD1 4.14Å; V115-I120 HydrophobicContact CB-CG1 4.11Å; V115-I120 HydrophobicContact CG1-CD1 4.42Å; V115-I120 HydrophobicContact CG1-CG1 3.94Å; V115-I120 WeakPolarHBondContact O-CD1 3.3Å; V115-G197 WeakPolarHBondContact CG2-O 3.46Å; V115-I203 HydrophobicContact CG2-CD1 4.49Å
116P91Very high90.6Very high58 Ų5837.6 Ų37.638%0.37720%0.198SC..  trans-56.4139.7179.8-26.935.4000113Q118 T119 I120 T198P116-Q118 VanDerWaalsContact C-N 3.26Å; P116-Q118 PolarHBondContact O-N 3.38Å; P116-T119 WeakPolarHBondContact O-CB 3.43Å; P116-T119 PolarHBondContact O-N 2.65Å; P116-I120 PolarHBondContact O-N 3.02Å; P116-I120 VanDerWaalsContact O-N 3.1Å; P116-T198 HydrophobicContact CG-CG2 3.98Å
117F86.4Confident90.4Very high95 Ų9536.4 Ų36.442%0.41718%0.181SC..Hα-helixtrans-50.8-43.6-179.3177.7-90.8000113.2V115 T119 I120 K121 L172V115-F117 PolarHBondContact O-N 3.3Å; F117-T119 VanDerWaalsContact C-N 3.35Å; F117-T119 PolarHBondContact O-N 3.38Å; F117-I120 WeakPolarHBondContact O-CB 3.44Å; F117-I120 PolarHBondContact O-N 2.88Å; F117-K121 HydrophobicContact CE1-CD 4.42Å; F117-K121 PolarHBondContact O-N 3.49Å; F117-L172 HydrophobicContact CD2-CD1 4.01Å; F117-L172 HydrophobicContact CE2-CB 3.96Å; F117-L172 HydrophobicContact CE2-CD1 3.42Å; F117-L172 VanDerWaalsContact CE2-CD1 3.42Å; F117-L172 HydrophobicContact CE2-CG 4.2Å; F117-L172 HydrophobicContact CZ-CD1 4.01Å
118Q84.9Confident90.2Very high105 Ų10539.4 Ų39.449%0.49119%0.192SC..Hα-helixtrans-62.5-43.1-178.7-175.157.231.900111.7P116 I120 K121 E122P116-Q118 VanDerWaalsContact C-N 3.26Å; P116-Q118 PolarHBondContact O-N 3.38Å; Q118-I120 VanDerWaalsContact C-N 3.32Å; Q118-I120 PolarHBondContact O-N 3.26Å; Q118-K121 PolarHBondContact O-N 3.35Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.35Å; Q118-E122 PolarHBondContact NE2-OE1 2.97Å; Q118-E122 WeakPolarHBondContact O-CG 3.29Å; Q118-E122 PolarHBondContact O-N 3.09Å; Q118-E122 VanDerWaalsContact O-N 3.16Å
119T88.8Confident89.9Confident22 Ų2239 Ų3914%0.13519%0.19CC..Hα-helixtrans-63.1-39.3176-54.10000111.6V115 P116 F117 R123V115-T119 HydrophobicContact CG1-CG2 3.91Å; P116-T119 WeakPolarHBondContact O-CB 3.43Å; P116-T119 PolarHBondContact O-N 2.65Å; F117-T119 VanDerWaalsContact C-N 3.35Å; F117-T119 PolarHBondContact O-N 3.38Å; T119-R123 WeakPolarHBondContact O-CB 3.25Å; T119-R123 WeakPolarHBondContact O-CG 3.4Å; T119-R123 PolarHBondContact O-N 3.36Å; T119-R123 VanDerWaalsContact O-N 3.08Å
120I88.6Confident89.7Confident3 Ų339.1 Ų39.12%0.01519%0.19CC..Hα-helixtrans-63.3-45.5176.6-73.1157.7000111.5P14 P15 V115 P116 F117 Q118 E122 R123 L124 L172P14-I120 HydrophobicContact CB-CD1 3.88Å; P14-I120 HydrophobicContact CG-CD1 3.23Å; P14-I120 HydrophobicContact CG-CG1 4.29Å; P15-I120 WeakPolarHBondContact O-CG2 3.19Å; V115-I120 HydrophobicContact CB-CD1 4.14Å; V115-I120 HydrophobicContact CB-CG1 4.11Å; V115-I120 HydrophobicContact CG1-CD1 4.42Å; V115-I120 HydrophobicContact CG1-CG1 3.94Å; V115-I120 WeakPolarHBondContact O-CD1 3.3Å; P116-I120 PolarHBondContact O-N 3.02Å; P116-I120 VanDerWaalsContact O-N 3.1Å; F117-I120 WeakPolarHBondContact O-CB 3.44Å; F117-I120 PolarHBondContact O-N 2.88Å; Q118-I120 VanDerWaalsContact C-N 3.32Å; Q118-I120 PolarHBondContact O-N 3.26Å; I120-E122 PolarHBondContact O-N 2.92Å; I120-R123 PolarHBondContact O-N 2.61Å; I120-L124 HydrophobicContact CG2-CD1 3.64Å; I120-L124 HydrophobicContact CG2-CG 4.4Å; I120-L124 WeakPolarHBondContact O-CG 3.27Å; I120-L124 PolarHBondContact O-N 3.4Å; I120-L172 HydrophobicContact CG2-CD1 4.12Å; I120-L172 HydrophobicContact CG2-CD2 3.61Å; I120-L172 HydrophobicContact CG2-CG 4.47Å
121K83.3Confident89.1Confident105 Ų10543.3 Ų43.346%0.45721%0.212SC..Hα-helixtrans-59.3-47.8-179.4-173.4179.8177-176.50111.3F117 Q118 R123 L124 T125F117-K121 HydrophobicContact CE1-CD 4.42Å; F117-K121 PolarHBondContact O-N 3.49Å; Q118-K121 PolarHBondContact O-N 3.35Å; K121-R123 VanDerWaalsContact C-N 3.34Å; K121-R123 PolarHBondContact O-N 2.81Å; K121-L124 PolarHBondContact O-N 2.67Å; K121-T125 PolarHBondContact O-N 3.02Å; K121-T125 PolarHBondContact O-OG1 2.85Å
122E83.5Confident88.6Confident96 Ų9648 Ų4845%0.44924%0.243SC..Hα-helixtrans-60.9-41.7176.8-70.4162.6-169.900111.8Q118 I120 L124 T125 S126Q118-E122 WeakPolarHBondContact CG-OE1 3.35Å; Q118-E122 PolarHBondContact NE2-OE1 2.97Å; Q118-E122 WeakPolarHBondContact O-CG 3.29Å; Q118-E122 PolarHBondContact O-N 3.09Å; Q118-E122 VanDerWaalsContact O-N 3.16Å; I120-E122 PolarHBondContact O-N 2.92Å; E122-L124 PolarHBondContact O-N 2.79Å; E122-T125 PolarHBondContact O-OG1 3.05Å; E122-S126 PolarHBondContact O-OG 3.44Å
123R87.1Confident88Confident19 Ų1949.9 Ų49.97%0.07226%0.256CS..Hα-helixtrans-66-36.2179.2-76.7172.2175.2-171.10.6113.9G16 S17 T119 I120 K121 R127 N138 F141 T198G16-R123 WeakPolarHBondContact O-CD 3.31Å; G16-R123 PolarHBondContact O-NH1 3.12Å; S17-R123 VanDerWaalsContact C-NH1 3.28Å; S17-R123 PolarHBondContact O-NH1 2.82Å; T119-R123 WeakPolarHBondContact O-CB 3.25Å; T119-R123 WeakPolarHBondContact O-CG 3.4Å; T119-R123 PolarHBondContact O-N 3.36Å; T119-R123 VanDerWaalsContact O-N 3.08Å; I120-R123 PolarHBondContact O-N 2.61Å; K121-R123 VanDerWaalsContact C-N 3.34Å; K121-R123 PolarHBondContact O-N 2.81Å; R123-R127 PolarHBondContact O-N 3.39Å; R123-N138 PolarHBondContact O-ND2 2.84Å; R123-F141 HydrophobicContact CG-CD2 4.2Å; R123-F141 HydrophobicContact CG-CE2 3.58Å; R123-F141 HydrophobicContact CG-CZ 4.34Å; R123-T198 VanDerWaalsContact NH2-C 3.29Å; R123-T198 PolarHBondContact NH2-O 3.49Å
124L82.3Confident87.4Confident1 Ų151.6 Ų51.61%0.00527%0.273CS..Hα-helixtrans-73.4-36.3-176-72.8167.4000111.7P15 I120 K121 E122 S126 R127 V168P15-L124 HydrophobicContact CB-CD1 4.16Å; P15-L124 HydrophobicContact CB-CD2 4.45Å; I120-L124 HydrophobicContact CG2-CD1 3.64Å; I120-L124 HydrophobicContact CG2-CG 4.4Å; I120-L124 WeakPolarHBondContact O-CG 3.27Å; I120-L124 PolarHBondContact O-N 3.4Å; K121-L124 PolarHBondContact O-N 2.67Å; E122-L124 PolarHBondContact O-N 2.79Å; L124-S126 PolarHBondContact O-N 2.92Å; L124-R127 PolarHBondContact O-N 2.88Å; L124-V168 HydrophobicContact CB-CG1 4.23Å; L124-V168 HydrophobicContact CB-CG2 3.83Å; L124-V168 HydrophobicContact CD1-CB 4.22Å; L124-V168 HydrophobicContact CD1-CG1 3.38Å; L124-V168 HydrophobicContact CD1-CG2 3.88Å; L124-V168 HydrophobicContact CG-CG1 4.42Å; L124-V168 HydrophobicContact CG-CG2 4.32Å
125T79.9Confident87Confident73 Ų7351.7 Ų51.745%0.44827%0.268SS..Hα-helixtrans-66.3-28.1176.348.50000113.2K121 E122 Q159K121-T125 PolarHBondContact O-N 3.02Å; K121-T125 PolarHBondContact O-OG1 2.85Å; E122-T125 PolarHBondContact O-OG1 3.05Å; T125-Q159 PolarHBondContact O-NE2 3.33Å; T125-Q159 VanDerWaalsContact O-NE2 3.1Å
126S86Confident86.8Confident19 Ų1954.1 Ų54.113%0.13328%0.283CS..THydrogen-bonded Turntrans-95.66-177.9-650000113.9E122 L124 N138 T139 D140E122-S126 PolarHBondContact O-OG 3.44Å; L124-S126 PolarHBondContact O-N 2.92Å; S126-N138 WeakPolarHBondContact CB-ND2 3.23Å; S126-N138 VanDerWaalsContact O-CA 3.31Å; S126-N138 WeakPolarHBondContact O-CA 3.33Å; S126-T139 VanDerWaalsContact CB-OG1 3.26Å; S126-T139 WeakPolarHBondContact CB-OG1 3.4Å; S126-T139 PolarHBondContact O-N 2.78Å; S126-T139 PolarHBondContact OG-OG1 2.72Å; S126-D140 WeakPolarHBondContact CB-OD2 3.2Å; S126-D140 PolarHBondContact OG-OD2 3.32Å
127R89.4Confident86.7Confident57 Ų5751.9 Ų51.922%0.21527%0.267CS..EExtended strand (participates in β ladder)trans-83.8136.8-174.2-173.21801791742.8112.4R123 L124 V136 Q159 D163R123-R127 PolarHBondContact O-N 3.39Å; L124-R127 PolarHBondContact O-N 2.88Å; R127-V136 HydrophobicContact CG-CG1 3.74Å; R127-Q159 WeakPolarHBondContact O-CG 3.34Å; R127-Q159 PolarHBondContact O-NE2 3.48Å; R127-Q159 VanDerWaalsContact O-NE2 3.11Å; R127-D163 IonicContact NH1-OD1 3.19Å
128W90.4Very high86.8Confident77 Ų7748.2 Ų48.229%0.29225%0.252SS..EExtended strand (participates in β ladder)trans-131.5145.5174.1-70.182.8000110.1V136 Y137 L157 Q159W128-V136 WeakPolarHBondContact O-CA 3.45Å; W128-Y137 PolarHBondContact N-O 2.81Å; W128-Y137 PolarHBondContact O-N 2.81Å; W128-L157 HydrophobicContact CB-CB 4.13Å; W128-L157 HydrophobicContact CB-CD1 4.06Å; W128-L157 HydrophobicContact CE3-CB 3.84Å; W128-Q159 HydrophobicContact CD2-CG 3.81Å; W128-Q159 HydrophobicContact CE3-CG 3.93Å; W128-Q159 HydrophobicContact CG-CG 4.42Å; W128-Q159 HydrophobicContact CH2-CG 4.04Å; W128-Q159 HydrophobicContact CZ2-CG 3.91Å; W128-Q159 HydrophobicContact CZ3-CG 4.05Å
129T90.4Very high86.8Confident0 Ų046.3 Ų46.30%025%0.248CC..EExtended strand (participates in β ladder)trans-133.9135.3-177.6-52.20000111.7R135 V136 V158T129-R135 WeakPolarHBondContact CA-O 3.22Å; T129-V136 HydrophobicContact CG2-CG2 4.42Å; T129-V158 PolarHBondContact N-O 3.21Å; T129-V158 PolarHBondContact O-N 3.46Å
130H92.8Very high86.5Confident2 Ų250.2 Ų50.21%0.00927%0.267CS..  trans-85.7105.7167.3-175.6-136.8000109.3P132 S133 G134 R135 D150 T153 E155 L157H130-P132 WeakPolarHBondContact NE2-CD 3.17Å; H130-S133 PolarHBondContact ND1-OG 3.17Å; H130-S133 PolarHBondContact O-N 2.86Å; H130-S133 PolarHBondContact O-OG 3.49Å; H130-G134 WeakPolarHBondContact O-CA 3.27Å; H130-G134 PolarHBondContact O-N 3.31Å; H130-R135 HydrophobicContact CB-CB 4.32Å; H130-R135 PolarHBondContact N-O 2.71Å; H130-R135 PolarHBondContact ND1-NH2 3.23Å; H130-R135 VanDerWaalsContact ND1-NH2 3.13Å; H130-D150 HydrophobicContact CB-CB 4.09Å; H130-D150 VanDerWaalsContact CB-OD1 3.3Å; H130-D150 WeakPolarHBondContact CB-OD1 3.43Å; H130-D150 IonicContact CG-OD1 2.69Å; H130-D150 IonicContact ND1-OD1 3.4Å; H130-D150 PolarHBondContact ND1-OD1 3.2Å; H130-D150 IonicContact ND1-OD2 3.32Å; H130-T153 PolarHBondContact CE1-OG1 3.23Å; H130-T153 PolarHBondContact NE2-OG1 2.82Å; H130-E155 IonicContact CE1-OE2 3.72Å; H130-E155 PolarHBondContact CE1-OE2 3.29Å; H130-E155 WeakPolarHBondContact NE2-CB 3.36Å; H130-E155 IonicContact NE2-OE2 3.43Å; H130-E155 PolarHBondContact NE2-OE2 3.47Å; H130-L157 HydrophobicContact CB-CD2 3.59Å
131I87.1Confident86Confident89 Ų8955.6 Ų55.646%0.45629%0.291SS..THydrogen-bonded Turntrans-57.7-49.7-170.1-61.5-59.5000113.7S133 G134 V158 R160I131-S133 PolarHBondContact O-N 3.24Å; I131-G134 PolarHBondContact O-N 3.27Å; I131-V158 HydrophobicContact CD1-CG2 3.51Å; I131-V158 HydrophobicContact CG1-CG2 3.43Å; I131-V158 VanDerWaalsContact CG1-CG2 3.43Å; I131-R160 HydrophobicContact CD1-CG 4.35Å
132P87.4Confident86Confident99 Ų9955 Ų5564%0.64329%0.292SS*.THydrogen-bonded Turntrans-58.9-34.2-177.3-25.434.3000114H130H130-P132 WeakPolarHBondContact NE2-CD 3.17Å
133S85.3Confident86.3Confident48 Ų4853.8 Ų53.834%0.33629%0.293SS..THydrogen-bonded Turntrans-103.1-17.5-17572.30000114.8H130 I131 R135H130-S133 PolarHBondContact ND1-OG 3.17Å; H130-S133 PolarHBondContact O-N 2.86Å; H130-S133 PolarHBondContact O-OG 3.49Å; I131-S133 PolarHBondContact O-N 3.24Å; S133-R135 PolarHBondContact O-N 2.73Å; S133-R135 WeakPolarHBondContact OG-CB 3.42Å; S133-R135 WeakPolarHBondContact OG-CG 3.41Å; S133-R135 PolarHBondContact OG-N 3.19Å; S133-R135 VanDerWaalsContact OG-N 3.11Å; S133-R135 PolarHBondContact OG-NE 3.29Å; S133-R135 PolarHBondContact OG-NH1 3.13Å; S133-R135 PolarHBondContact OG-NH2 3.07Å
134G82.6Confident86.7Confident35 Ų3553.7 Ų53.736%0.36130%0.295SS..  trans71.72.1-169.500000115.2H130 I131 V136H130-G134 WeakPolarHBondContact O-CA 3.27Å; H130-G134 PolarHBondContact O-N 3.31Å; I131-G134 PolarHBondContact O-N 3.27Å; G134-V136 WeakPolarHBondContact O-CG2 3.41Å; G134-V136 PolarHBondContact O-N 3.27Å
135R87.1Confident87.3Confident77 Ų7761.9 Ų61.929%0.29133%0.331SS..  trans-59135177-76-175.4-69-83.8-1.2110.9T129 H130 S133 Y137 D150T129-R135 WeakPolarHBondContact CA-O 3.22Å; H130-R135 HydrophobicContact CB-CB 4.32Å; H130-R135 PolarHBondContact N-O 2.71Å; H130-R135 PolarHBondContact ND1-NH2 3.23Å; H130-R135 VanDerWaalsContact ND1-NH2 3.13Å; S133-R135 PolarHBondContact O-N 2.73Å; S133-R135 WeakPolarHBondContact OG-CB 3.42Å; S133-R135 WeakPolarHBondContact OG-CG 3.41Å; S133-R135 PolarHBondContact OG-N 3.19Å; S133-R135 VanDerWaalsContact OG-N 3.11Å; S133-R135 PolarHBondContact OG-NE 3.29Å; S133-R135 PolarHBondContact OG-NH1 3.13Å; S133-R135 PolarHBondContact OG-NH2 3.07Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-D150 IonicContact CZ-OD1 2.65Å; R135-D150 IonicContact CZ-OD2 3.32Å; R135-D150 IonicContact NE-OD1 3.41Å; R135-D150 PolarHBondContact NE-OD1 3.17Å; R135-D150 IonicContact NE-OD2 2.69Å; R135-D150 PolarHBondContact NE-OD2 3.19Å; R135-D150 IonicContact NH2-OD1 3.37Å; R135-D150 PolarHBondContact NH2-OD1 3.12Å; R135-D150 IonicContact NH2-OD2 3.23Å; R135-D150 PolarHBondContact NH2-OD2 2.93Å
136V88.3Confident88Confident56 Ų5662.2 Ų62.234%0.33933%0.332SS..EExtended strand (participates in β ladder)trans-114.3133.2-176.8-178.60000109.7R127 W128 T129 G134R127-V136 HydrophobicContact CG-CG1 3.74Å; W128-V136 WeakPolarHBondContact O-CA 3.45Å; T129-V136 HydrophobicContact CG2-CG2 4.42Å; G134-V136 WeakPolarHBondContact O-CG2 3.41Å; G134-V136 PolarHBondContact O-N 3.27Å
137Y88.4Confident88.5Confident11 Ų1167 Ų674%0.04336%0.363CS..EExtended strand (participates in β ladder)trans-116.7152.4174.3-63.1-89.8000109.4W128 R135 P144 D150 D151 L157W128-Y137 PolarHBondContact N-O 2.81Å; W128-Y137 PolarHBondContact O-N 2.81Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; Y137-P144 HydrophobicContact CD1-CB 3.8Å; Y137-P144 HydrophobicContact CE1-CB 4.06Å; Y137-P144 HydrophobicContact CG-CB 4.26Å; Y137-D150 PolarHBondContact OH-OD1 3.35Å; Y137-D151 HydrophobicContact CE1-CB 4.41Å; Y137-D151 WeakPolarHBondContact CE1-OD2 2.95Å; Y137-D151 WeakPolarHBondContact OH-CB 3.39Å; Y137-D151 PolarHBondContact OH-N 3.37Å; Y137-L157 HydrophobicContact CD2-CD1 3.61Å; Y137-L157 HydrophobicContact CD2-CD2 3.64Å; Y137-L157 HydrophobicContact CD2-CG 4.3Å; Y137-L157 HydrophobicContact CE2-CD1 4.2Å; Y137-L157 HydrophobicContact CE2-CD2 3.71Å; Y137-L157 HydrophobicContact CG-CD1 3.93Å
138N88.9Confident88.7Confident19 Ų1965.5 Ų65.510%0.10237%0.365CS..EExtended strand (participates in β ladder)trans-137.7127.4170.1176.3-67.7000107.6R123 S126 D140 F141 N142 P143R123-N138 PolarHBondContact O-ND2 2.84Å; S126-N138 WeakPolarHBondContact CB-ND2 3.23Å; S126-N138 VanDerWaalsContact O-CA 3.31Å; S126-N138 WeakPolarHBondContact O-CA 3.33Å; N138-D140 PolarHBondContact O-N 2.97Å; N138-D140 WeakPolarHBondContact OD1-CA 3.39Å; N138-D140 WeakPolarHBondContact OD1-CB 3.41Å; N138-D140 PolarHBondContact OD1-N 2.95Å; N138-F141 PolarHBondContact O-N 2.83Å; N138-F141 VanDerWaalsContact OD1-CD2 3.32Å; N138-F141 WeakPolarHBondContact OD1-CD2 3.5Å; N138-F141 PolarHBondContact OD1-N 2.74Å; N138-N142 PolarHBondContact N-O 2.84Å; N138-N142 VanDerWaalsContact N-O 3.12Å; N138-N142 CarbonylContact O-C 3.53Å; N138-N142 WeakPolarHBondContact O-CA 3.49Å; N138-N142 PolarHBondContact O-N 2.83Å; N138-N142 VanDerWaalsContact O-O 3.07Å; N138-P143 WeakPolarHBondContact O-CA 3.43Å
139T85.5Confident89Confident65 Ų6564.9 Ų64.940%0.39937%0.367SS..THydrogen-bonded Turntrans-58.1-24.2-173.550.40000114S126S126-T139 VanDerWaalsContact CB-OG1 3.26Å; S126-T139 WeakPolarHBondContact CB-OG1 3.4Å; S126-T139 PolarHBondContact O-N 2.78Å; S126-T139 PolarHBondContact OG-OG1 2.72Å
140D81.6Confident89.3Confident103 Ų10365.1 Ų65.155%0.55137%0.368SS*.THydrogen-bonded Turntrans-96.9-36.2-174.7-48.3-45.1000112.3S126 N138S126-D140 WeakPolarHBondContact CB-OD2 3.2Å; S126-D140 PolarHBondContact OG-OD2 3.32Å; N138-D140 PolarHBondContact O-N 2.97Å; N138-D140 WeakPolarHBondContact OD1-CA 3.39Å; N138-D140 WeakPolarHBondContact OD1-CB 3.41Å; N138-D140 PolarHBondContact OD1-N 2.95Å
141F77.8Confident89.4Confident117 Ų11767.7 Ų67.751%0.51338%0.382SS..THydrogen-bonded Turntrans-106.3-34.7-172.4-63.4-79.2000114.5R123 N138R123-F141 HydrophobicContact CG-CD2 4.2Å; R123-F141 HydrophobicContact CG-CE2 3.58Å; R123-F141 HydrophobicContact CG-CZ 4.34Å; N138-F141 PolarHBondContact O-N 2.83Å; N138-F141 VanDerWaalsContact OD1-CD2 3.32Å; N138-F141 WeakPolarHBondContact OD1-CD2 3.5Å; N138-F141 PolarHBondContact OD1-N 2.74Å
142N84.8Confident89.8Confident91 Ų9168.5 Ų68.549%0.48739%0.391SS..BIsolated β-bridgetrans-150.468.2-178.1-176.247.7000108.5N138N138-N142 PolarHBondContact N-O 2.84Å; N138-N142 VanDerWaalsContact N-O 3.12Å; N138-N142 CarbonylContact O-C 3.53Å; N138-N142 WeakPolarHBondContact O-CA 3.49Å; N138-N142 PolarHBondContact O-N 2.83Å; N138-N142 VanDerWaalsContact O-O 3.07Å
143P90.3Very high90.2Very high72 Ų7267 Ų6747%0.46838%0.381SS..  trans-65.7146.2-179.326.4-33.2000109.7N138N138-P143 WeakPolarHBondContact O-CA 3.43Å
144P94.1Very high90.7Very high16 Ų1666.8 Ų66.810%0.10439%0.385CS..  trans-63.1151.6169.731-34.9000109.7Y137 V146 L149 L157Y137-P144 HydrophobicContact CD1-CB 3.8Å; Y137-P144 HydrophobicContact CE1-CB 4.06Å; Y137-P144 HydrophobicContact CG-CB 4.26Å; P144-V146 WeakPolarHBondContact CB-O 3.29Å; P144-V146 WeakPolarHBondContact CG-O 3.42Å; P144-V146 PolarHBondContact O-N 3.48Å; P144-L149 WeakPolarHBondContact CB-O 3.43Å; P144-L157 HydrophobicContact CB-CD1 4Å; P144-L157 HydrophobicContact CG-CD1 3.95Å
145K95.1Very high91.4Very high174 Ų17469.2 Ų69.276%0.75739%0.387SS*.SBendtrans-57.1-36.5175.5-68.4174-176.5173.60111.6D151K145-D151 WeakPolarHBondContact CB-OD1 3.49Å; K145-D151 HydrophobicContact CD-CB 4.35Å; K145-D151 WeakPolarHBondContact CG-OD1 3.47Å; K145-D151 PolarHBondContact N-OD1 3.44Å
146V95.4Very high91.8Very high80 Ų8070 Ų7049%0.48540%0.403SS..SBendtrans-120.9123.8173.2-177.10000108.6P144 G148 L149P144-V146 WeakPolarHBondContact CB-O 3.29Å; P144-V146 WeakPolarHBondContact CG-O 3.42Å; P144-V146 PolarHBondContact O-N 3.48Å; V146-G148 PolarHBondContact O-N 3.32Å; V146-L149 HydrophobicContact CB-CB 4.27Å; V146-L149 HydrophobicContact CB-CD1 4.21Å; V146-L149 HydrophobicContact CB-CG 4.49Å; V146-L149 HydrophobicContact CG1-CB 4.48Å; V146-L149 HydrophobicContact CG1-CD1 3.76Å; V146-L149 HydrophobicContact CG1-CG 4.17Å; V146-L149 PolarHBondContact O-N 3.06Å; V146-L149 VanDerWaalsContact O-N 3.07Å
147P95.3Very high92.2Very high118 Ų11867.8 Ų67.877%0.76639%0.389SS*.THydrogen-bonded Turntrans-51.5126.6179.7-29.235.9000112.6L149P147-L149 VanDerWaalsContact C-N 3.32Å; P147-L149 PolarHBondContact O-N 2.96Å
148G94Very high92.3Very high26 Ų2670.1 Ų70.127%0.26840%0.404SS..THydrogen-bonded Turntrans79.72.4177.700000115.7V146 P156 L157V146-G148 PolarHBondContact O-N 3.32Å; G148-P156 WeakPolarHBondContact O-CA 3.34Å; G148-L157 PolarHBondContact O-N 2.73Å
149L96.4Very high92.2Very high64 Ų6473.6 Ų73.634%0.33542%0.42SS..BIsolated β-bridgetrans-121.3146.5179.5-56.4-177.2000112.4P144 V146 P147 E155P144-L149 WeakPolarHBondContact CB-O 3.43Å; V146-L149 HydrophobicContact CB-CB 4.27Å; V146-L149 HydrophobicContact CB-CD1 4.21Å; V146-L149 HydrophobicContact CB-CG 4.49Å; V146-L149 HydrophobicContact CG1-CB 4.48Å; V146-L149 HydrophobicContact CG1-CD1 3.76Å; V146-L149 HydrophobicContact CG1-CG 4.17Å; V146-L149 PolarHBondContact O-N 3.06Å; V146-L149 VanDerWaalsContact O-N 3.07Å; P147-L149 VanDerWaalsContact C-N 3.32Å; P147-L149 PolarHBondContact O-N 2.96Å; L149-E155 CarbonylContact C-O 2.92Å; L149-E155 WeakPolarHBondContact CA-O 3.47Å
150D96.6Very high92.1Very high5 Ų572.2 Ų72.23%0.02741%0.407CS..  trans-72.1135.4174.4-178.987.1000111.8H130 R135 Y137 V152 T153 G154 E155 L157H130-D150 HydrophobicContact CB-CB 4.09Å; H130-D150 VanDerWaalsContact CB-OD1 3.3Å; H130-D150 WeakPolarHBondContact CB-OD1 3.43Å; H130-D150 IonicContact CG-OD1 2.69Å; H130-D150 IonicContact ND1-OD1 3.4Å; H130-D150 PolarHBondContact ND1-OD1 3.2Å; H130-D150 IonicContact ND1-OD2 3.32Å; R135-D150 IonicContact CZ-OD1 2.65Å; R135-D150 IonicContact CZ-OD2 3.32Å; R135-D150 IonicContact NE-OD1 3.41Å; R135-D150 PolarHBondContact NE-OD1 3.17Å; R135-D150 IonicContact NE-OD2 2.69Å; R135-D150 PolarHBondContact NE-OD2 3.19Å; R135-D150 IonicContact NH2-OD1 3.37Å; R135-D150 PolarHBondContact NH2-OD1 3.12Å; R135-D150 IonicContact NH2-OD2 3.23Å; R135-D150 PolarHBondContact NH2-OD2 2.93Å; Y137-D150 PolarHBondContact OH-OD1 3.35Å; D150-V152 PolarHBondContact O-N 3.28Å; D150-V152 WeakPolarHBondContact OD2-CA 3.37Å; D150-V152 WeakPolarHBondContact OD2-CB 3.43Å; D150-V152 PolarHBondContact OD2-N 3.45Å; D150-T153 PolarHBondContact OD2-N 3.5Å; D150-T153 PolarHBondContact OD2-OG1 3.37Å; D150-G154 VanDerWaalsContact O-CA 3.24Å; D150-G154 WeakPolarHBondContact O-CA 3.4Å; D150-G154 PolarHBondContact O-N 2.74Å; D150-E155 PolarHBondContact N-O 2.95Å; D150-L157 HydrophobicContact CB-CD2 3.98Å
151D95.4Very high92Very high56 Ų5672.5 Ų72.530%0.29941%0.409SS..THydrogen-bonded Turntrans-69.1-17.9-175-71.9-15.8000114.6Y137 K145Y137-D151 HydrophobicContact CE1-CB 4.41Å; Y137-D151 WeakPolarHBondContact CE1-OD2 2.95Å; Y137-D151 WeakPolarHBondContact OH-CB 3.39Å; Y137-D151 PolarHBondContact OH-N 3.37Å; K145-D151 WeakPolarHBondContact CB-OD1 3.49Å; K145-D151 HydrophobicContact CD-CB 4.35Å; K145-D151 WeakPolarHBondContact CG-OD1 3.47Å; K145-D151 PolarHBondContact N-OD1 3.44Å
152V95Very high91.7Very high107 Ų10768.8 Ų68.865%0.64839%0.394SS*.THydrogen-bonded Turntrans-101.9-44.2-175.4-179.10000110.7D150D150-V152 PolarHBondContact O-N 3.28Å; D150-V152 WeakPolarHBondContact OD2-CA 3.37Å; D150-V152 WeakPolarHBondContact OD2-CB 3.43Å; D150-V152 PolarHBondContact OD2-N 3.45Å
153T96.6Very high91.3Very high68 Ų6864.8 Ų64.842%0.41737%0.373SS..THydrogen-bonded Turntrans-103.6-18.9-175.261.90000113.6H130 D150 E155H130-T153 PolarHBondContact CE1-OG1 3.23Å; H130-T153 PolarHBondContact NE2-OG1 2.82Å; D150-T153 PolarHBondContact OD2-N 3.5Å; D150-T153 PolarHBondContact OD2-OG1 3.37Å; T153-E155 WeakPolarHBondContact CB-OE2 3.45Å; T153-E155 PolarHBondContact O-N 2.92Å; T153-E155 WeakPolarHBondContact OG1-CB 3.37Å; T153-E155 WeakPolarHBondContact OG1-CG 3.25Å; T153-E155 PolarHBondContact OG1-N 3.33Å; T153-E155 PolarHBondContact OG1-OE2 3.09Å
154G95.4Very high90.8Very high42 Ų4268.2 Ų68.243%0.43338%0.376SS..  trans70.97.6-171.500000113.8D150D150-G154 VanDerWaalsContact O-CA 3.24Å; D150-G154 WeakPolarHBondContact O-CA 3.4Å; D150-G154 PolarHBondContact O-N 2.74Å
155E96.9Very high90.1Very high86 Ų8671 Ų7140%0.40239%0.394SS..PPolyproline II helixtrans-78157.5179.6-69169.6132.100111.7H130 L149 D150 T153H130-E155 IonicContact CE1-OE2 3.72Å; H130-E155 PolarHBondContact CE1-OE2 3.29Å; H130-E155 WeakPolarHBondContact NE2-CB 3.36Å; H130-E155 IonicContact NE2-OE2 3.43Å; H130-E155 PolarHBondContact NE2-OE2 3.47Å; L149-E155 CarbonylContact C-O 2.92Å; L149-E155 WeakPolarHBondContact CA-O 3.47Å; D150-E155 PolarHBondContact N-O 2.95Å; T153-E155 WeakPolarHBondContact CB-OE2 3.45Å; T153-E155 PolarHBondContact O-N 2.92Å; T153-E155 WeakPolarHBondContact OG1-CB 3.37Å; T153-E155 WeakPolarHBondContact OG1-CG 3.25Å; T153-E155 PolarHBondContact OG1-N 3.33Å; T153-E155 PolarHBondContact OG1-OE2 3.09Å
156P96.7Very high89.4Confident95 Ų9568.3 Ų68.362%0.61738%0.384SS*.BIsolated β-bridgetrans-62.1137.1-178.8-23.234.1000113.8G148G148-P156 WeakPolarHBondContact O-CA 3.34Å
157L95.4Very high88.6Confident9 Ų966.7 Ų66.75%0.04738%0.375CS..PPolyproline II helixtrans-84.5148.7166.5-57.7179.2000110.2W128 H130 Y137 P144 G148 D150W128-L157 HydrophobicContact CB-CB 4.13Å; W128-L157 HydrophobicContact CB-CD1 4.06Å; W128-L157 HydrophobicContact CE3-CB 3.84Å; H130-L157 HydrophobicContact CB-CD2 3.59Å; Y137-L157 HydrophobicContact CD2-CD1 3.61Å; Y137-L157 HydrophobicContact CD2-CD2 3.64Å; Y137-L157 HydrophobicContact CD2-CG 4.3Å; Y137-L157 HydrophobicContact CE2-CD1 4.2Å; Y137-L157 HydrophobicContact CE2-CD2 3.71Å; Y137-L157 HydrophobicContact CG-CD1 3.93Å; P144-L157 HydrophobicContact CB-CD1 4Å; P144-L157 HydrophobicContact CG-CD1 3.95Å; G148-L157 PolarHBondContact O-N 2.73Å; D150-L157 HydrophobicContact CB-CD2 3.98Å
158V91.9Very high87.9Confident59 Ų5961.4 Ų61.436%0.35834%0.34SS..BIsolated β-bridgetrans-127.6148.2175.2-54.20000110.9T129 I131T129-V158 PolarHBondContact N-O 3.21Å; T129-V158 PolarHBondContact O-N 3.46Å; I131-V158 HydrophobicContact CD1-CG2 3.51Å; I131-V158 HydrophobicContact CG1-CG2 3.43Å; I131-V158 VanDerWaalsContact CG1-CG2 3.43Å
159Q86.6Confident87.3Confident93 Ų9364.2 Ų64.244%0.43535%0.352SS..  trans-83.4131161.1-59.9-158.9-56.500108.1T125 R127 W128T125-Q159 PolarHBondContact O-NE2 3.33Å; T125-Q159 VanDerWaalsContact O-NE2 3.1Å; R127-Q159 WeakPolarHBondContact O-CG 3.34Å; R127-Q159 PolarHBondContact O-NE2 3.48Å; R127-Q159 VanDerWaalsContact O-NE2 3.11Å; W128-Q159 HydrophobicContact CD2-CG 3.81Å; W128-Q159 HydrophobicContact CE3-CG 3.93Å; W128-Q159 HydrophobicContact CG-CG 4.42Å; W128-Q159 HydrophobicContact CH2-CG 4.04Å; W128-Q159 HydrophobicContact CZ2-CG 3.91Å; W128-Q159 HydrophobicContact CZ3-CG 4.05Å
160R82.8Confident86.6Confident36 Ų3670.3 Ų70.314%0.13637%0.371CS..  trans-78.4153.1179.8-63.6176.6169.7175.3-4109.7I131 D162 D163I131-R160 HydrophobicContact CD1-CG 4.35Å; R160-D162 WeakPolarHBondContact CB-OD1 3.43Å; R160-D162 PolarHBondContact O-N 2.82Å; R160-D162 VanDerWaalsContact O-N 3.12Å; R160-D163 WeakPolarHBondContact O-CB 3.17Å; R160-D163 PolarHBondContact O-N 3.23Å
161D78.5Confident85.9Confident109 Ų10973.1 Ų73.158%0.58338%0.381SS*.G310 helixtrans-59.8-25.5177-70-38000112.8D163 R164 T167D161-D163 VanDerWaalsContact C-N 3.27Å; D161-D163 PolarHBondContact O-N 3.46Å; D161-R164 WeakPolarHBondContact O-CG 3.18Å; D161-R164 PolarHBondContact O-N 2.97Å; D161-R164 IonicContact OD1-CZ 3.33Å; D161-R164 IonicContact OD1-NE 3.31Å; D161-R164 PolarHBondContact OD1-NE 3.49Å; D161-R164 IonicContact OD1-NH2 2.73Å; D161-R164 PolarHBondContact OD1-NH2 3.22Å; D161-T167 PolarHBondContact O-OG1 2.59Å
162D72.9Confident85.3Confident39 Ų3970.8 Ų70.821%0.20937%0.369CS..G310 helixtrans-79.5-3.2176.971.7-44.7000114.9R160 T167 R171R160-D162 WeakPolarHBondContact CB-OD1 3.43Å; R160-D162 PolarHBondContact O-N 2.82Å; R160-D162 VanDerWaalsContact O-N 3.12Å; D162-T167 HydrophobicContact CB-CG2 4.25Å; D162-R171 VanDerWaalsContact CG-NH1 3.28Å; D162-R171 PolarHBondContact O-NH1 2.85Å; D162-R171 IonicContact OD2-CZ 2.73Å; D162-R171 IonicContact OD2-NH1 3.84Å; D162-R171 PolarHBondContact OD2-NH1 2.62Å; D162-R171 IonicContact OD2-NH2 3.9Å; D162-R171 PolarHBondContact OD2-NH2 2.86Å
163D76.7Confident84.9Confident7 Ų772.5 Ų72.54%0.03737%0.368CS..G310 helixtrans-99.6-0173.9-63.7-40.8000112.5R127 R160 D161 V168R127-D163 IonicContact NH1-OD1 3.19Å; R160-D163 WeakPolarHBondContact O-CB 3.17Å; R160-D163 PolarHBondContact O-N 3.23Å; D161-D163 VanDerWaalsContact C-N 3.27Å; D161-D163 PolarHBondContact O-N 3.46Å; D163-V168 WeakPolarHBondContact O-CG2 3.21Å
164R79.9Confident84.3Confident144 Ų14471.2 Ų71.254%0.54336%0.361SS..SBendtrans-66.1144.7174.1-64.6-176-171.1-169.55.4111.9D161 E166 T167 V168D161-R164 WeakPolarHBondContact O-CG 3.18Å; D161-R164 PolarHBondContact O-N 2.97Å; D161-R164 IonicContact OD1-CZ 3.33Å; D161-R164 IonicContact OD1-NE 3.31Å; D161-R164 PolarHBondContact OD1-NE 3.49Å; D161-R164 IonicContact OD1-NH2 2.73Å; D161-R164 PolarHBondContact OD1-NH2 3.22Å; R164-E166 VanDerWaalsContact C-N 3.31Å; R164-E166 PolarHBondContact O-N 3.49Å; R164-E166 VanDerWaalsContact O-N 3.16Å; R164-T167 PolarHBondContact O-N 3.4Å; R164-V168 WeakPolarHBondContact O-CG2 3.36Å; R164-V168 PolarHBondContact O-N 3.33Å
165P78.6Confident83.9Confident74 Ų7470.2 Ų70.248%0.48134%0.344SS..Hα-helixtrans-53.1-40.9-173.6-28.435.6000115.3T169P165-T169 PolarHBondContact O-N 3.07Å; P165-T169 PolarHBondContact O-OG1 3.44Å
166E79.7Confident83.5Confident117 Ų11771.4 Ų71.455%0.54735%0.35SS..Hα-helixtrans-67.9-42.5179.4-55.776.4-165.200110.8R164 T169 R170R164-E166 VanDerWaalsContact C-N 3.31Å; R164-E166 PolarHBondContact O-N 3.49Å; R164-E166 VanDerWaalsContact O-N 3.16Å; E166-T169 PolarHBondContact O-N 3.34Å; E166-R170 WeakPolarHBondContact O-CG 3.31Å; E166-R170 PolarHBondContact O-N 3.45Å; E166-R170 VanDerWaalsContact O-N 3.16Å
167T78.9Confident83.1Confident47 Ų4771 Ų7129%0.28835%0.346SS..Hα-helixtrans-67.4-42.3178-48.70000111D161 D162 R164 T169 R170 R171D161-T167 PolarHBondContact O-OG1 2.59Å; D162-T167 HydrophobicContact CB-CG2 4.25Å; R164-T167 PolarHBondContact O-N 3.4Å; T167-T169 VanDerWaalsContact C-N 3.33Å; T167-T169 PolarHBondContact O-N 3Å; T167-R170 PolarHBondContact O-N 2.97Å; T167-R171 HydrophobicContact CG2-CG 4.34Å; T167-R171 WeakPolarHBondContact O-CB 3.34Å; T167-R171 VanDerWaalsContact O-CG 3.24Å; T167-R171 WeakPolarHBondContact O-CG 3.32Å; T167-R171 PolarHBondContact O-N 3.46Å
168V80.1Confident82.7Confident6 Ų673.3 Ų73.34%0.03636%0.357CS..Hα-helixtrans-56.1-48.9175165.30000110.7L124 D163 R164 R170 R171 L172L124-V168 HydrophobicContact CB-CG1 4.23Å; L124-V168 HydrophobicContact CB-CG2 3.83Å; L124-V168 HydrophobicContact CD1-CB 4.22Å; L124-V168 HydrophobicContact CD1-CG1 3.38Å; L124-V168 HydrophobicContact CD1-CG2 3.88Å; L124-V168 HydrophobicContact CG-CG1 4.42Å; L124-V168 HydrophobicContact CG-CG2 4.32Å; D163-V168 WeakPolarHBondContact O-CG2 3.21Å; R164-V168 WeakPolarHBondContact O-CG2 3.36Å; R164-V168 PolarHBondContact O-N 3.33Å; V168-R170 PolarHBondContact O-N 3.21Å; V168-R171 PolarHBondContact O-N 3.43Å; V168-L172 HydrophobicContact CG1-CD1 3.7Å; V168-L172 HydrophobicContact CG1-CG 4.37Å; V168-L172 WeakPolarHBondContact O-CG 3.42Å; V168-L172 PolarHBondContact O-N 3.37Å
169T81.9Confident82.4Confident85 Ų8570.9 Ų70.952%0.52134%0.342SS..Hα-helixtrans-59.8-45.5179.6-56.10000111.5P165 E166 T167 R171 L172 K173P165-T169 PolarHBondContact O-N 3.07Å; P165-T169 PolarHBondContact O-OG1 3.44Å; E166-T169 PolarHBondContact O-N 3.34Å; T167-T169 VanDerWaalsContact C-N 3.33Å; T167-T169 PolarHBondContact O-N 3Å; T169-R171 PolarHBondContact O-N 2.92Å; T169-L172 PolarHBondContact O-N 3.43Å; T169-K173 PolarHBondContact O-N 3.19Å
170R82Confident82.5Confident192 Ų19270.7 Ų70.773%0.72534%0.341SS*.Hα-helixtrans-61.9-42.2176.4-68.6-179.7-155-175.86.1112.1E166 T167 V168 K173 S174E166-R170 WeakPolarHBondContact O-CG 3.31Å; E166-R170 PolarHBondContact O-N 3.45Å; E166-R170 VanDerWaalsContact O-N 3.16Å; T167-R170 PolarHBondContact O-N 2.97Å; V168-R170 PolarHBondContact O-N 3.21Å; R170-K173 PolarHBondContact O-N 3.19Å; R170-S174 WeakPolarHBondContact O-CB 3.44Å; R170-S174 PolarHBondContact O-N 3.05Å
171R81.1Confident83.2Confident65 Ų6571.7 Ų71.725%0.24535%0.352CS..Hα-helixtrans-67.3-37.8179.8-70.4174.870.4177.816.8112.5P15 D162 T167 V168 T169 S174 Y175P15-R171 HydrophobicContact CG-CB 4.02Å; D162-R171 VanDerWaalsContact CG-NH1 3.28Å; D162-R171 PolarHBondContact O-NH1 2.85Å; D162-R171 IonicContact OD2-CZ 2.73Å; D162-R171 IonicContact OD2-NH1 3.84Å; D162-R171 PolarHBondContact OD2-NH1 2.62Å; D162-R171 IonicContact OD2-NH2 3.9Å; D162-R171 PolarHBondContact OD2-NH2 2.86Å; T167-R171 HydrophobicContact CG2-CG 4.34Å; T167-R171 WeakPolarHBondContact O-CB 3.34Å; T167-R171 VanDerWaalsContact O-CG 3.24Å; T167-R171 WeakPolarHBondContact O-CG 3.32Å; T167-R171 PolarHBondContact O-N 3.46Å; V168-R171 PolarHBondContact O-N 3.43Å; T169-R171 PolarHBondContact O-N 2.92Å; R171-S174 PolarHBondContact O-N 3.35Å; R171-Y175 WeakPolarHBondContact O-CB 3.23Å; R171-Y175 PolarHBondContact O-N 3.2Å
172L84.2Confident84.1Confident7 Ų766.5 Ų66.54%0.03732%0.324CS..Hα-helixtrans-66.5-44.8175.6-68.6168000110.9P14 F117 I120 V168 T169 S174 Y175 E176P14-L172 HydrophobicContact CB-CD2 4Å; F117-L172 HydrophobicContact CD2-CD1 4.01Å; F117-L172 HydrophobicContact CE2-CB 3.96Å; F117-L172 HydrophobicContact CE2-CD1 3.42Å; F117-L172 VanDerWaalsContact CE2-CD1 3.42Å; F117-L172 HydrophobicContact CE2-CG 4.2Å; F117-L172 HydrophobicContact CZ-CD1 4.01Å; I120-L172 HydrophobicContact CG2-CD1 4.12Å; I120-L172 HydrophobicContact CG2-CD2 3.61Å; I120-L172 HydrophobicContact CG2-CG 4.47Å; V168-L172 HydrophobicContact CG1-CD1 3.7Å; V168-L172 HydrophobicContact CG1-CG 4.37Å; V168-L172 WeakPolarHBondContact O-CG 3.42Å; V168-L172 PolarHBondContact O-N 3.37Å; T169-L172 PolarHBondContact O-N 3.43Å; L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 2.97Å; L172-Y175 WeakPolarHBondContact O-CB 3.42Å; L172-Y175 PolarHBondContact O-N 3.04Å; L172-Y175 VanDerWaalsContact O-N 3.17Å; L172-E176 PolarHBondContact O-N 2.99Å
173K86.1Confident85.2Confident143 Ų14364.7 Ų64.762%0.62232%0.315SS*.Hα-helixtrans-60.6-43.2174.2-173.7174.4-177.91770112.4T169 R170 Y175 E176 T177T169-K173 PolarHBondContact O-N 3.19Å; R170-K173 PolarHBondContact O-N 3.19Å; K173-Y175 VanDerWaalsContact C-N 3.32Å; K173-Y175 PolarHBondContact O-N 3.3Å; K173-E176 PolarHBondContact O-N 2.97Å; K173-T177 WeakPolarHBondContact O-CG2 3.5Å; K173-T177 PolarHBondContact O-N 2.95Å; K173-T177 PolarHBondContact O-OG1 3.11Å; K173-T177 VanDerWaalsContact O-OG1 3.08Å
174S84.6Confident86.1Confident40 Ų4069.3 Ų69.328%0.2834%0.336SS..Hα-helixtrans-62.8-38.9175.7165.80000111.8R170 R171 L172 T177 Q178R170-S174 WeakPolarHBondContact O-CB 3.44Å; R170-S174 PolarHBondContact O-N 3.05Å; R171-S174 PolarHBondContact O-N 3.35Å; L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 2.97Å; S174-T177 PolarHBondContact O-N 3.23Å; S174-T177 PolarHBondContact O-OG1 3.19Å; S174-Q178 VanDerWaalsContact O-CB 3.23Å; S174-Q178 WeakPolarHBondContact O-CB 3.39Å; S174-Q178 PolarHBondContact O-N 3.47Å; S174-Q178 PolarHBondContact OG-OE1 2.94Å
175Y87.1Confident87Confident21 Ų2164.1 Ų64.18%0.08232%0.317CS..Iπ-helixtrans-60.9-49.4174.3-178.4-87000111.5G13 P14 R171 L172 K173 T177 T179 E180G13-Y175 VanDerWaalsContact C-CZ 3.45Å; G13-Y175 WeakPolarHBondContact CA-OH 3.27Å; G13-Y175 PolarHBondContact N-OH 3.45Å; G13-Y175 VanDerWaalsContact O-CE2 3.25Å; G13-Y175 WeakPolarHBondContact O-CE2 3.42Å; P14-Y175 HydrophobicContact CB-CD1 3.93Å; P14-Y175 HydrophobicContact CB-CD2 4.33Å; P14-Y175 HydrophobicContact CB-CE1 4.09Å; P14-Y175 HydrophobicContact CB-CE2 4.44Å; P14-Y175 HydrophobicContact CB-CG 4.07Å; P14-Y175 HydrophobicContact CG-CE1 4.42Å; R171-Y175 WeakPolarHBondContact O-CB 3.23Å; R171-Y175 PolarHBondContact O-N 3.2Å; L172-Y175 WeakPolarHBondContact O-CB 3.42Å; L172-Y175 PolarHBondContact O-N 3.04Å; L172-Y175 VanDerWaalsContact O-N 3.17Å; K173-Y175 VanDerWaalsContact C-N 3.32Å; K173-Y175 PolarHBondContact O-N 3.3Å; Y175-T177 VanDerWaalsContact C-N 3.34Å; Y175-T177 PolarHBondContact O-N 3.43Å; Y175-T179 HydrophobicContact CD2-CG2 3.68Å; Y175-T179 HydrophobicContact CE2-CG2 3.33Å; Y175-T179 CarbonylContact O-C 3.56Å; Y175-T179 WeakPolarHBondContact O-CA 3.43Å; Y175-T179 VanDerWaalsContact O-CB 3.29Å; Y175-T179 WeakPolarHBondContact O-CB 2.93Å; Y175-T179 PolarHBondContact O-N 3.4Å; Y175-E180 PolarHBondContact O-N 3.45Å
176E87.1Confident87.9Confident112 Ų11260.7 Ų60.752%0.52330%0.295SS..Iπ-helixtrans-59.8-42.6178.4-72.2173.5-179.700112.3L172 K173 E180L172-E176 PolarHBondContact O-N 2.99Å; K173-E176 PolarHBondContact O-N 2.97Å; E176-E180 WeakPolarHBondContact O-CB 3.48Å
177T88.9Confident88.7Confident87 Ų8760.7 Ų60.753%0.53429%0.29SS..Iπ-helixtrans-81.6-29.2-175.457.90000113.9K173 S174 Y175K173-T177 WeakPolarHBondContact O-CG2 3.5Å; K173-T177 PolarHBondContact O-N 2.95Å; K173-T177 PolarHBondContact O-OG1 3.11Å; K173-T177 VanDerWaalsContact O-OG1 3.08Å; S174-T177 PolarHBondContact O-N 3.23Å; S174-T177 PolarHBondContact O-OG1 3.19Å; Y175-T177 VanDerWaalsContact C-N 3.34Å; Y175-T177 PolarHBondContact O-N 3.43Å
178Q86.4Confident89.6Confident57 Ų5762.8 Ų62.827%0.26631%0.306SS..Iπ-helixtrans-113.2-38.8-171.1-61.3174.1-14.800113.1L64 R93 T94 S174L64-Q178 VanDerWaalsContact CD1-NE2 3.26Å; R93-Q178 CarbonylContact O-C 3.1Å; T94-Q178 HydrophobicContact CG2-CB 4.42Å; S174-Q178 VanDerWaalsContact O-CB 3.23Å; S174-Q178 WeakPolarHBondContact O-CB 3.39Å; S174-Q178 PolarHBondContact O-N 3.47Å; S174-Q178 PolarHBondContact OG-OE1 2.94Å
179T86.6Confident90.4Very high8 Ų866.7 Ų66.75%0.04932%0.323CS..Iπ-helixtrans-94-30.9-173.2-51.50000112.5M12 R93 Y175 V182 L183M12-T179 HydrophobicContact CE-CG2 3.41Å; M12-T179 VanDerWaalsContact CE-CG2 3.41Å; R93-T179 VanDerWaalsContact O-CA 3.28Å; R93-T179 WeakPolarHBondContact O-CA 3.15Å; R93-T179 PolarHBondContact O-N 3.12Å; R93-T179 PolarHBondContact O-OG1 3.02Å; Y175-T179 HydrophobicContact CD2-CG2 3.68Å; Y175-T179 HydrophobicContact CE2-CG2 3.33Å; Y175-T179 CarbonylContact O-C 3.56Å; Y175-T179 WeakPolarHBondContact O-CA 3.43Å; Y175-T179 VanDerWaalsContact O-CB 3.29Å; Y175-T179 WeakPolarHBondContact O-CB 2.93Å; Y175-T179 PolarHBondContact O-N 3.4Å; T179-V182 WeakPolarHBondContact O-CB 3.34Å; T179-V182 PolarHBondContact O-N 2.69Å; T179-L183 PolarHBondContact O-N 2.97Å
180E88.8Confident91.1Very high89 Ų8965.5 Ų65.542%0.41633%0.327SS..Hα-helixtrans-57.9-42.4173.9-160.967.6-158.800113Y175 E176 V182 L183 E184Y175-E180 PolarHBondContact O-N 3.45Å; E176-E180 WeakPolarHBondContact O-CB 3.48Å; E180-V182 PolarHBondContact O-N 3.47Å; E180-V182 VanDerWaalsContact O-N 3.14Å; E180-L183 VanDerWaalsContact O-CB 3.31Å; E180-L183 WeakPolarHBondContact O-CB 3.49Å; E180-L183 PolarHBondContact O-N 2.99Å; E180-E184 PolarHBondContact O-N 2.66Å
181P96.4Very high91.8Very high57 Ų5757.7 Ų57.737%0.3730%0.301SS..Hα-helixtrans-58.7-26.1173.4-26.436.5000114.3V95 L183 E184 F185V95-P181 HydrophobicContact CG2-CB 3.75Å; P181-L183 VanDerWaalsContact C-N 3.33Å; P181-E184 PolarHBondContact O-N 2.73Å; P181-F185 PolarHBondContact O-N 3.31Å; P181-F185 VanDerWaalsContact O-N 3.09Å
182V97.2Very high92.6Very high0 Ų055.9 Ų55.90%030%0.296CS..Hα-helixtrans-71.5-31.4176.5-176.10000111.5M12 P92 T94 V95 A98 T179 E180 E184 F185 Y186M12-V182 HydrophobicContact CE-CB 3.91Å; M12-V182 HydrophobicContact CE-CG1 3.69Å; M12-V182 HydrophobicContact SD-CG1 4.09Å; P92-V182 HydrophobicContact CG-CG1 3.88Å; T94-V182 WeakPolarHBondContact O-CG2 3.2Å; V95-V182 HydrophobicContact CG2-CG2 4.34Å; A98-V182 HydrophobicContact CB-CG1 3.74Å; T179-V182 WeakPolarHBondContact O-CB 3.34Å; T179-V182 PolarHBondContact O-N 2.69Å; E180-V182 PolarHBondContact O-N 3.47Å; E180-V182 VanDerWaalsContact O-N 3.14Å; V182-E184 VanDerWaalsContact C-N 3.3Å; V182-F185 WeakPolarHBondContact O-CB 3.25Å; V182-F185 PolarHBondContact O-N 3.32Å; V182-Y186 HydrophobicContact CG1-CD2 3.74Å; V182-Y186 HydrophobicContact CG1-CE2 3.53Å; V182-Y186 WeakPolarHBondContact O-CD2 3.44Å; V182-Y186 PolarHBondContact O-N 3.49Å
183L96.3Very high93.3Very high1 Ų159.4 Ų59.41%0.00531%0.312CS..Hα-helixtrans-62.5-42.6172.5-57.6-177000110M12 N112 T179 E180 P181 F185 Y186 R187 L192M12-L183 HydrophobicContact CB-CD2 4.13Å; M12-L183 HydrophobicContact CE-CD2 4.06Å; M12-L183 HydrophobicContact SD-CD2 3.85Å; N112-L183 HydrophobicContact CB-CD2 4.02Å; T179-L183 PolarHBondContact O-N 2.97Å; E180-L183 VanDerWaalsContact O-CB 3.31Å; E180-L183 WeakPolarHBondContact O-CB 3.49Å; E180-L183 PolarHBondContact O-N 2.99Å; P181-L183 VanDerWaalsContact C-N 3.33Å; L183-F185 PolarHBondContact O-N 3.14Å; L183-Y186 PolarHBondContact O-N 2.96Å; L183-R187 VanDerWaalsContact O-CB 3.23Å; L183-R187 WeakPolarHBondContact O-CB 3.39Å; L183-R187 PolarHBondContact O-N 3Å; L183-L192 HydrophobicContact CB-CD2 4.17Å; L183-L192 HydrophobicContact CD2-CD1 4.08Å; L183-L192 WeakPolarHBondContact O-CD2 3.29Å
184E96.4Very high93.8Very high103 Ų10354.9 Ų54.948%0.48130%0.299SS..Hα-helixtrans-63.3-42.1175.7-172.554.6-145.400112.1E180 P181 V182 Y186 R187 S188E180-E184 PolarHBondContact O-N 2.66Å; P181-E184 PolarHBondContact O-N 2.73Å; V182-E184 VanDerWaalsContact C-N 3.3Å; E184-Y186 VanDerWaalsContact C-N 3.35Å; E184-Y186 PolarHBondContact O-N 2.99Å; E184-R187 PolarHBondContact O-N 3.29Å; E184-R187 IonicContact OE2-CZ 3.32Å; E184-R187 IonicContact OE2-NH1 3.23Å; E184-R187 PolarHBondContact OE2-NH1 2.83Å; E184-S188 PolarHBondContact O-N 3.44Å
185F97.9Very high94.5Very high36 Ų3653.9 Ų53.916%0.15829%0.29CS..Hα-helixtrans-53.4-50.2173.9176.3-94000111.8V95 A98 E99 D102 P181 V182 L183 S188 K189V95-F185 HydrophobicContact CG1-CD2 4.35Å; A98-F185 HydrophobicContact CB-CD1 3.77Å; A98-F185 HydrophobicContact CB-CE1 3.85Å; A98-F185 HydrophobicContact CB-CG 4.39Å; E99-F185 HydrophobicContact CG-CE2 3.8Å; E99-F185 HydrophobicContact CG-CZ 4.14Å; D102-F185 HydrophobicContact CB-CE1 4.28Å; D102-F185 HydrophobicContact CB-CZ 4.15Å; P181-F185 PolarHBondContact O-N 3.31Å; P181-F185 VanDerWaalsContact O-N 3.09Å; V182-F185 WeakPolarHBondContact O-CB 3.25Å; V182-F185 PolarHBondContact O-N 3.32Å; L183-F185 PolarHBondContact O-N 3.14Å; F185-S188 PolarHBondContact O-N 3.49Å; F185-S188 PolarHBondContact O-OG 3.34Å; F185-K189 HydrophobicContact CD1-CD 4.3Å; F185-K189 HydrophobicContact CE1-CD 3.82Å; F185-K189 HydrophobicContact CZ-CD 4.07Å; F185-K189 PolarHBondContact O-N 2.78Å
186Y98.1Very high94.9Very high1 Ų157.7 Ų57.70%0.00432%0.315CS..Hα-helixtrans-76.4-26.2179.9-71.4-53.9000114.5M12 P92 A98 L107 V110 V182 L183 E184 K189 G190 V191 L192M12-Y186 HydrophobicContact SD-CD2 4.07Å; M12-Y186 HydrophobicContact SD-CE2 4.19Å; P92-Y186 HydrophobicContact CG-CE2 3.77Å; P92-Y186 WeakPolarHBondContact CG-OH 3.42Å; A98-Y186 HydrophobicContact CB-CE2 4.17Å; L107-Y186 HydrophobicContact CD1-CD1 4.47Å; L107-Y186 HydrophobicContact CD1-CE1 3.6Å; V110-Y186 HydrophobicContact CB-CD2 4.32Å; V110-Y186 HydrophobicContact CB-CG 4.27Å; V110-Y186 HydrophobicContact CG1-CD2 3.94Å; V110-Y186 HydrophobicContact CG1-CE2 4.45Å; V110-Y186 HydrophobicContact CG1-CG 4.36Å; V110-Y186 HydrophobicContact CG2-CD1 3.78Å; V110-Y186 HydrophobicContact CG2-CD2 3.82Å; V110-Y186 HydrophobicContact CG2-CE1 4.11Å; V110-Y186 HydrophobicContact CG2-CE2 4.11Å; V110-Y186 HydrophobicContact CG2-CG 3.65Å; V182-Y186 HydrophobicContact CG1-CD2 3.74Å; V182-Y186 HydrophobicContact CG1-CE2 3.53Å; V182-Y186 WeakPolarHBondContact O-CD2 3.44Å; V182-Y186 PolarHBondContact O-N 3.49Å; L183-Y186 PolarHBondContact O-N 2.96Å; E184-Y186 VanDerWaalsContact C-N 3.35Å; E184-Y186 PolarHBondContact O-N 2.99Å; Y186-K189 HydrophobicContact CD1-CD 4.4Å; Y186-K189 PolarHBondContact O-N 3.28Å; Y186-G190 PolarHBondContact O-N 3.22Å; Y186-V191 HydrophobicContact CD1-CG2 3.76Å; Y186-V191 HydrophobicContact CG-CG2 4.31Å; Y186-V191 PolarHBondContact O-N 2.69Å; Y186-L192 PolarHBondContact O-N 3.04Å
187R97.2Very high95.2Very high118 Ų11853.3 Ų53.345%0.44530%0.3SS..Hα-helixtrans-63.2-47.1171.3-173.8179.6-68.11160.9110.5L183 E184 K189 G190 L192L183-R187 VanDerWaalsContact O-CB 3.23Å; L183-R187 WeakPolarHBondContact O-CB 3.39Å; L183-R187 PolarHBondContact O-N 3Å; E184-R187 PolarHBondContact O-N 3.29Å; E184-R187 IonicContact OE2-CZ 3.32Å; E184-R187 IonicContact OE2-NH1 3.23Å; E184-R187 PolarHBondContact OE2-NH1 2.83Å; R187-K189 PolarHBondContact O-N 2.97Å; R187-G190 PolarHBondContact O-N 3.01Å; R187-L192 HydrophobicContact CB-CD2 3.95Å
188S97Very high95.2Very high90 Ų9052.1 Ų52.163%0.62929%0.293SS*.Hα-helixtrans-60.5-28177.878.30000113.1E184 F185E184-S188 PolarHBondContact O-N 3.44Å; F185-S188 PolarHBondContact O-N 3.49Å; F185-S188 PolarHBondContact O-OG 3.34Å
189K96.4Very high95.3Very high88 Ų8852.7 Ų52.738%0.38330%0.295SS..THydrogen-bonded Turntrans-84.1-8.5175.7-74.5174.1168-85.10114.4D102 F185 Y186 R187 V191D102-K189 VanDerWaalsContact OD1-CE 3.29Å; D102-K189 WeakPolarHBondContact OD1-CE 3.21Å; D102-K189 IonicContact OD1-NZ 2.7Å; D102-K189 PolarHBondContact OD1-NZ 3.1Å; D102-K189 WeakPolarHBondContact OD2-CE 3.23Å; D102-K189 IonicContact OD2-NZ 3.37Å; D102-K189 PolarHBondContact OD2-NZ 3.33Å; F185-K189 HydrophobicContact CD1-CD 4.3Å; F185-K189 HydrophobicContact CE1-CD 3.82Å; F185-K189 HydrophobicContact CZ-CD 4.07Å; F185-K189 PolarHBondContact O-N 2.78Å; Y186-K189 HydrophobicContact CD1-CD 4.4Å; Y186-K189 PolarHBondContact O-N 3.28Å; R187-K189 PolarHBondContact O-N 2.97Å; K189-V191 VanDerWaalsContact C-N 3.28Å; K189-V191 HydrophobicContact CB-CG2 4.11Å; K189-V191 PolarHBondContact O-N 2.74Å
190G96.9Very high95.5Very high60 Ų6053.3 Ų53.362%0.61930%0.299SS*.THydrogen-bonded Turntrans69.121.7-179.800000114.7Y186 R187Y186-G190 PolarHBondContact O-N 3.22Å; R187-G190 PolarHBondContact O-N 3.01Å
191V97.3Very high95.5Very high29 Ų2954.3 Ų54.318%0.17631%0.307CS..  trans-106.6-11.9178.3-63.70000113.3T109 V110 Y186 K189T109-V191 CarbonylContact C-O 3.48Å; T109-V191 WeakPolarHBondContact CA-O 3.31Å; T109-V191 PolarHBondContact OG1-O 3.48Å; V110-V191 HydrophobicContact CG2-CG2 4.03Å; V110-V191 PolarHBondContact N-O 3.42Å; Y186-V191 HydrophobicContact CD1-CG2 3.76Å; Y186-V191 HydrophobicContact CG-CG2 4.31Å; Y186-V191 PolarHBondContact O-N 2.69Å; K189-V191 VanDerWaalsContact C-N 3.28Å; K189-V191 HydrophobicContact CB-CG2 4.11Å; K189-V191 PolarHBondContact O-N 2.74Å
192L98.1Very high95.4Very high27 Ų2757.7 Ų57.714%0.14132%0.316CS..EExtended strand (participates in β ladder)trans-78.9128.5178.3-176.472.2000112.2V110 N112 L183 Y186 R187V110-L192 HydrophobicContact CB-CD1 4.1Å; V110-L192 HydrophobicContact CG1-CD1 3.8Å; V110-L192 CarbonylContact O-C 3.58Å; V110-L192 WeakPolarHBondContact O-CA 3.24Å; N112-L192 HydrophobicContact CB-CD1 3.82Å; L183-L192 HydrophobicContact CB-CD2 4.17Å; L183-L192 HydrophobicContact CD2-CD1 4.08Å; L183-L192 WeakPolarHBondContact O-CD2 3.29Å; Y186-L192 PolarHBondContact O-N 3.04Å; R187-L192 HydrophobicContact CB-CD2 3.95Å
193E98.2Very high95.3Very high80 Ų8058 Ų5837%0.37432%0.318SS..EExtended strand (participates in β ladder)trans-121.1128.5165.8-171.969.8-155.600108.8V110 N112 F195 F210V110-E193 PolarHBondContact O-N 3.48Å; N112-E193 PolarHBondContact N-O 3.35Å; E193-F195 HydrophobicContact CB-CE2 4.03Å; E193-F195 HydrophobicContact CB-CZ 4.44Å; E193-F195 HydrophobicContact CG-CD2 4.37Å; E193-F195 HydrophobicContact CG-CE1 4.38Å; E193-F195 HydrophobicContact CG-CE2 3.49Å; E193-F195 VanDerWaalsContact CG-CE2 3.49Å; E193-F195 HydrophobicContact CG-CZ 3.5Å; E193-F195 VanDerWaalsContact CG-CZ 3.5Å; E193-F210 HydrophobicContact CB-CD2 4.47Å; E193-F210 HydrophobicContact CB-CE1 3.96Å; E193-F210 HydrophobicContact CB-CE2 3.83Å; E193-F210 HydrophobicContact CB-CZ 3.55Å; E193-F210 HydrophobicContact CG-CD1 4.35Å; E193-F210 HydrophobicContact CG-CD2 3.83Å; E193-F210 HydrophobicContact CG-CE1 4.19Å; E193-F210 HydrophobicContact CG-CE2 3.64Å; E193-F210 HydrophobicContact CG-CG 4.18Å; E193-F210 HydrophobicContact CG-CZ 3.83Å
194S97.7Very high95.3Very high49 Ų4959.3 Ų59.334%0.34332%0.322SS..EExtended strand (participates in β ladder)trans-109.8136-178.8-64.70000111.6N112N112-S194 PolarHBondContact ND2-OG 2.9Å; N112-S194 WeakPolarHBondContact O-CA 3.4Å
195F97.8Very high95.4Very high19 Ų1957.6 Ų57.68%0.08332%0.32CS..EExtended strand (participates in β ladder)trans-121.2110.8178.9-60.8-91.6000110I111 N112 L113 D114 E193 I203 H206 V207 F210I111-F195 HydrophobicContact CG2-CD2 3.9Å; I111-F195 HydrophobicContact CG2-CE2 3.89Å; N112-F195 PolarHBondContact O-N 2.81Å; L113-F195 HydrophobicContact CD2-CB 4.39Å; D114-F195 PolarHBondContact N-O 3.47Å; E193-F195 HydrophobicContact CB-CE2 4.03Å; E193-F195 HydrophobicContact CB-CZ 4.44Å; E193-F195 HydrophobicContact CG-CD2 4.37Å; E193-F195 HydrophobicContact CG-CE1 4.38Å; E193-F195 HydrophobicContact CG-CE2 3.49Å; E193-F195 VanDerWaalsContact CG-CE2 3.49Å; E193-F195 HydrophobicContact CG-CZ 3.5Å; E193-F195 VanDerWaalsContact CG-CZ 3.5Å; F195-I203 HydrophobicContact CB-CG2 3.73Å; F195-I203 HydrophobicContact CG-CG2 4.46Å; F195-H206 HydrophobicContact CD1-CB 3.95Å; F195-H206 HydrophobicContact CE1-CB 4.03Å; F195-V207 HydrophobicContact CB-CG2 4.28Å; F195-V207 HydrophobicContact CD1-CG2 3.7Å; F195-V207 HydrophobicContact CD2-CG2 3.77Å; F195-V207 HydrophobicContact CE1-CB 4.43Å; F195-V207 HydrophobicContact CE1-CG2 3.91Å; F195-V207 HydrophobicContact CE2-CG2 3.97Å; F195-V207 HydrophobicContact CG-CG2 3.63Å; F195-V207 HydrophobicContact CZ-CB 4.44Å; F195-V207 HydrophobicContact CZ-CG2 4.03Å; F195-F210 HydrophobicContact CE1-CB 4.2Å; F195-F210 HydrophobicContact CE2-CD1 4.35Å; F195-F210 HydrophobicContact CZ-CB 3.72Å; F195-F210 AromaticContact CZ-CD1 3.87Å; F195-F210 HydrophobicContact CZ-CD1 3.87Å; F195-F210 AromaticContact CZ-CG 3.8Å; F195-F210 HydrophobicContact CZ-CG 3.8Å
196T96.3Very high95.3Very high101 Ų10161.9 Ų61.962%0.6234%0.34SS*.EExtended strand (participates in β ladder)trans-92.8134.6-178.8-53.10000111.3D114D114-T196 VanDerWaalsContact O-CA 3.23Å; D114-T196 WeakPolarHBondContact O-CA 3.28Å; D114-T196 WeakPolarHBondContact OD2-CG2 3.32Å; D114-T196 PolarHBondContact OD2-OG1 2.82Å
197G92.9Very high95.3Very high19 Ų1961.8 Ų61.820%0.19634%0.34CS..  trans173171.9172.200000114.7D114 V115D114-G197 PolarHBondContact O-N 3.24Å; V115-G197 WeakPolarHBondContact CG2-O 3.46Å
198T90Very high95.3Very high63 Ų6358.9 Ų58.939%0.38733%0.331SS..SBendtrans-107-8.1-177.954.20000113.8P116 R123P116-T198 HydrophobicContact CG-CG2 3.98Å; R123-T198 VanDerWaalsContact NH2-C 3.29Å; R123-T198 PolarHBondContact NH2-O 3.49Å
199E88.5Confident95.3Very high69 Ų6956.4 Ų56.432%0.32232%0.317SS..  trans-136.7121.1-175.5-71.3172.6-121.100110.4N201 K202 I203E199-N201 PolarHBondContact O-N 2.89Å; E199-K202 HydrophobicContact CB-CB 4.24Å; E199-K202 HydrophobicContact CB-CD 4.14Å; E199-K202 HydrophobicContact CB-CG 4.09Å; E199-K202 PolarHBondContact O-N 3.1Å; E199-K202 WeakPolarHBondContact OE1-CE 3.26Å; E199-K202 IonicContact OE1-NZ 2.69Å; E199-K202 PolarHBondContact OE1-NZ 3.08Å; E199-K202 WeakPolarHBondContact OE2-CE 3.22Å; E199-K202 IonicContact OE2-NZ 2.66Å; E199-K202 PolarHBondContact OE2-NZ 3.44Å; E199-I203 WeakPolarHBondContact O-CG1 3.45Å; E199-I203 PolarHBondContact O-N 3.19Å
200T89.2Confident95.4Very high21 Ų2153.2 Ų53.213%0.12930%0.303CS..Hα-helixtrans-58.1-33.8-178.7-56.60000112.6T21 M22 K202 I203 W204T21-T200 HydrophobicContact CG2-CG2 4Å; M22-T200 HydrophobicContact CE-CG2 4.04Å; T200-K202 VanDerWaalsContact C-N 3.31Å; T200-K202 PolarHBondContact O-N 3.07Å; T200-I203 PolarHBondContact O-N 3.47Å; T200-W204 WeakPolarHBondContact O-CB 3.22Å; T200-W204 PolarHBondContact O-N 2.86Å
201N90.2Very high95.3Very high109 Ų10950.4 Ų50.458%0.58327%0.274SS*.Hα-helixtrans-66.7-30.7177.4-71.9-21.6000113.4R25 E199 P205R25-N201 PolarHBondContact NH1-OD1 3.43Å; R25-N201 PolarHBondContact NH2-OD1 3.2Å; E199-N201 PolarHBondContact O-N 2.89Å; N201-P205 VanDerWaalsContact O-CD 3.23Å; N201-P205 WeakPolarHBondContact O-CD 3.38Å
202K93.4Very high95.2Very high129 Ų12953.4 Ų53.456%0.56129%0.285SS*.Hα-helixtrans-82.1-31.9176-65.5-178.2178.4164.90111.6E199 T200 H206E199-K202 HydrophobicContact CB-CB 4.24Å; E199-K202 HydrophobicContact CB-CD 4.14Å; E199-K202 HydrophobicContact CB-CG 4.09Å; E199-K202 PolarHBondContact O-N 3.1Å; E199-K202 WeakPolarHBondContact OE1-CE 3.26Å; E199-K202 IonicContact OE1-NZ 2.69Å; E199-K202 PolarHBondContact OE1-NZ 3.08Å; E199-K202 WeakPolarHBondContact OE2-CE 3.22Å; E199-K202 IonicContact OE2-NZ 2.66Å; E199-K202 PolarHBondContact OE2-NZ 3.44Å; T200-K202 VanDerWaalsContact C-N 3.31Å; T200-K202 PolarHBondContact O-N 3.07Å; K202-H206 PolarHBondContact O-CD2 3.16Å
203I95.5Very high95Very high6 Ų659.9 Ų59.93%0.03131%0.308CS..Hα-helixtrans-72.8-38.7177.5-61167.6000111.5M22 L113 V115 F195 E199 T200 H206 V207M22-I203 HydrophobicContact CE-CB 3.92Å; M22-I203 HydrophobicContact CE-CG2 3.5Å; M22-I203 VanDerWaalsContact CE-CG2 3.5Å; L113-I203 HydrophobicContact CD2-CG2 4.18Å; V115-I203 HydrophobicContact CG2-CD1 4.49Å; F195-I203 HydrophobicContact CB-CG2 3.73Å; F195-I203 HydrophobicContact CG-CG2 4.46Å; E199-I203 WeakPolarHBondContact O-CG1 3.45Å; E199-I203 PolarHBondContact O-N 3.19Å; T200-I203 PolarHBondContact O-N 3.47Å; I203-H206 PolarHBondContact O-N 2.98Å; I203-H206 VanDerWaalsContact O-N 3.13Å; I203-V207 HydrophobicContact CG2-CG2 3.87Å; I203-V207 PolarHBondContact O-N 3.01Å
204W96.5Very high94.7Very high28 Ų2858.7 Ų58.711%0.10630%0.302CS..Hα-helixtrans-52.6-49.5-172.1168.1-105.8000115.2M22 R25 I26 S29 F30 T200 H206 V207 E208M22-W204 HydrophobicContact SD-CB 4.46Å; M22-W204 HydrophobicContact SD-CE3 3.54Å; M22-W204 VanDerWaalsContact SD-CE3 3.54Å; M22-W204 HydrophobicContact SD-CZ3 4.21Å; R25-W204 HydrophobicContact CB-CD2 4.03Å; R25-W204 HydrophobicContact CB-CE3 3.69Å; R25-W204 HydrophobicContact CB-CH2 3.44Å; R25-W204 VanDerWaalsContact CB-CH2 3.44Å; R25-W204 HydrophobicContact CB-CZ2 3.79Å; R25-W204 HydrophobicContact CB-CZ3 3.4Å; R25-W204 HydrophobicContact CG-CD2 4.42Å; R25-W204 HydrophobicContact CG-CE3 4.42Å; I26-W204 HydrophobicContact CG1-CH2 4.46Å; I26-W204 HydrophobicContact CG1-CZ3 3.86Å; S29-W204 WeakPolarHBondContact OG-CZ2 3.47Å; F30-W204 HydrophobicContact CE2-CH2 4.44Å; T200-W204 WeakPolarHBondContact O-CB 3.22Å; T200-W204 PolarHBondContact O-N 2.86Å; W204-H206 PolarHBondContact O-N 3.1Å; W204-H206 VanDerWaalsContact O-N 3.15Å; W204-V207 HydrophobicContact CE3-CB 4.48Å; W204-V207 HydrophobicContact CZ3-CG1 4.43Å; W204-V207 PolarHBondContact O-N 3.38Å; W204-V207 VanDerWaalsContact O-N 3.09Å; W204-E208 HydrophobicContact CD2-CB 4.33Å; W204-E208 HydrophobicContact CH2-CB 4.18Å; W204-E208 HydrophobicContact CH2-CG 4.45Å; W204-E208 HydrophobicContact CZ2-CB 3.87Å; W204-E208 VanDerWaalsContact CZ2-CD 3.49Å; W204-E208 HydrophobicContact CZ2-CG 3.95Å; W204-E208 VanDerWaalsContact CZ2-OE1 3.28Å; W204-E208 WeakPolarHBondContact CZ2-OE1 3.46Å; W204-E208 PolarHBondContact NE1-OE2 3.04Å; W204-E208 VanDerWaalsContact NE1-OE2 3.11Å; W204-E208 WeakPolarHBondContact O-CB 3.12Å; W204-E208 PolarHBondContact O-N 3.36Å
205P97.5Very high94.2Very high67 Ų6757.3 Ų57.344%0.43529%0.29SS..Hα-helixtrans-57.6-32.9-178.8-26.335.2000113.5N201 A209N201-P205 VanDerWaalsContact O-CD 3.23Å; N201-P205 WeakPolarHBondContact O-CD 3.38Å; P205-A209 VanDerWaalsContact O-CB 3.28Å; P205-A209 WeakPolarHBondContact O-CB 3.45Å; P205-A209 PolarHBondContact O-N 2.89Å
206H97.7Very high93.7Very high126 Ų12659.3 Ų59.358%0.58331%0.306SS*.Hα-helixtrans-72.5-42.6177.9-58.1-70.7000111.8F195 K202 I203 W204 F210F195-H206 HydrophobicContact CD1-CB 3.95Å; F195-H206 HydrophobicContact CE1-CB 4.03Å; K202-H206 PolarHBondContact O-CD2 3.16Å; I203-H206 PolarHBondContact O-N 2.98Å; I203-H206 VanDerWaalsContact O-N 3.13Å; W204-H206 PolarHBondContact O-N 3.1Å; W204-H206 VanDerWaalsContact O-N 3.15Å; H206-F210 WeakPolarHBondContact O-CB 3.36Å; H206-F210 PolarHBondContact O-N 3.41Å
207V97.5Very high93Very high0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-61.9-48175175.30000110.3M22 I26 F195 I203 W204 A209 F210 L211M22-V207 HydrophobicContact CE-CG2 4.06Å; M22-V207 HydrophobicContact CG-CG1 4.46Å; M22-V207 HydrophobicContact SD-CB 4.16Å; M22-V207 HydrophobicContact SD-CG1 4.18Å; M22-V207 HydrophobicContact SD-CG2 4.01Å; I26-V207 HydrophobicContact CD1-CG1 4.21Å; I26-V207 HydrophobicContact CG1-CG1 4.4Å; F195-V207 HydrophobicContact CB-CG2 4.28Å; F195-V207 HydrophobicContact CD1-CG2 3.7Å; F195-V207 HydrophobicContact CD2-CG2 3.77Å; F195-V207 HydrophobicContact CE1-CB 4.43Å; F195-V207 HydrophobicContact CE1-CG2 3.91Å; F195-V207 HydrophobicContact CE2-CG2 3.97Å; F195-V207 HydrophobicContact CG-CG2 3.63Å; F195-V207 HydrophobicContact CZ-CB 4.44Å; F195-V207 HydrophobicContact CZ-CG2 4.03Å; I203-V207 HydrophobicContact CG2-CG2 3.87Å; I203-V207 PolarHBondContact O-N 3.01Å; W204-V207 HydrophobicContact CE3-CB 4.48Å; W204-V207 HydrophobicContact CZ3-CG1 4.43Å; W204-V207 PolarHBondContact O-N 3.38Å; W204-V207 VanDerWaalsContact O-N 3.09Å; V207-A209 PolarHBondContact O-N 3.4Å; V207-F210 PolarHBondContact O-N 2.84Å; V207-L211 HydrophobicContact CG1-CD1 3.9Å; V207-L211 HydrophobicContact CG1-CG 4.38Å; V207-L211 WeakPolarHBondContact O-CG 3.33Å; V207-L211 PolarHBondContact O-N 3.47Å
208E97.3Very high92.4Very high56 Ų5656.1 Ų56.126%0.26228%0.284SS..Hα-helixtrans-59.2-49.3179.1-177.3167.6-129.800111.4F30 W204 F210 L211 H212F30-E208 HydrophobicContact CZ-CG 4.44Å; W204-E208 HydrophobicContact CD2-CB 4.33Å; W204-E208 HydrophobicContact CH2-CB 4.18Å; W204-E208 HydrophobicContact CH2-CG 4.45Å; W204-E208 HydrophobicContact CZ2-CB 3.87Å; W204-E208 VanDerWaalsContact CZ2-CD 3.49Å; W204-E208 HydrophobicContact CZ2-CG 3.95Å; W204-E208 VanDerWaalsContact CZ2-OE1 3.28Å; W204-E208 WeakPolarHBondContact CZ2-OE1 3.46Å; W204-E208 PolarHBondContact NE1-OE2 3.04Å; W204-E208 VanDerWaalsContact NE1-OE2 3.11Å; W204-E208 WeakPolarHBondContact O-CB 3.12Å; W204-E208 PolarHBondContact O-N 3.36Å; E208-F210 VanDerWaalsContact C-N 3.33Å; E208-F210 PolarHBondContact O-N 3.05Å; E208-L211 PolarHBondContact O-N 3.45Å; E208-H212 PolarHBondContact O-CD2 3.43Å; E208-H212 PolarHBondContact O-N 3.43Å
209A97.3Very high91.5Very high39 Ų3955.5 Ų55.532%0.32228%0.282SS..Hα-helixtrans-61.6-39.3177.600000112.7P205 V207 R213P205-A209 VanDerWaalsContact O-CB 3.28Å; P205-A209 WeakPolarHBondContact O-CB 3.45Å; P205-A209 PolarHBondContact O-N 2.89Å; V207-A209 PolarHBondContact O-N 3.4Å; A209-R213 WeakPolarHBondContact O-CG 3.2Å; A209-R213 PolarHBondContact O-N 3.18Å
210F97.4Very high90.5Very high21 Ų2159.5 Ų59.59%0.09230%0.301CS..Hα-helixtrans-61.8-49.2175.1166.1-100.4000111.7T109 E193 F195 H206 V207 E208 H212 R213 K214T109-F210 HydrophobicContact CG2-CE1 4.46Å; T109-F210 WeakPolarHBondContact OG1-CE1 3.47Å; T109-F210 WeakPolarHBondContact OG1-CZ 3.34Å; E193-F210 HydrophobicContact CB-CD2 4.47Å; E193-F210 HydrophobicContact CB-CE1 3.96Å; E193-F210 HydrophobicContact CB-CE2 3.83Å; E193-F210 HydrophobicContact CB-CZ 3.55Å; E193-F210 HydrophobicContact CG-CD1 4.35Å; E193-F210 HydrophobicContact CG-CD2 3.83Å; E193-F210 HydrophobicContact CG-CE1 4.19Å; E193-F210 HydrophobicContact CG-CE2 3.64Å; E193-F210 HydrophobicContact CG-CG 4.18Å; E193-F210 HydrophobicContact CG-CZ 3.83Å; F195-F210 HydrophobicContact CE1-CB 4.2Å; F195-F210 HydrophobicContact CE2-CD1 4.35Å; F195-F210 HydrophobicContact CZ-CB 3.72Å; F195-F210 AromaticContact CZ-CD1 3.87Å; F195-F210 HydrophobicContact CZ-CD1 3.87Å; F195-F210 AromaticContact CZ-CG 3.8Å; F195-F210 HydrophobicContact CZ-CG 3.8Å; H206-F210 WeakPolarHBondContact O-CB 3.36Å; H206-F210 PolarHBondContact O-N 3.41Å; V207-F210 PolarHBondContact O-N 2.84Å; E208-F210 VanDerWaalsContact C-N 3.33Å; E208-F210 PolarHBondContact O-N 3.05Å; F210-H212 PolarHBondContact O-N 3.17Å; F210-R213 PolarHBondContact O-N 2.91Å; F210-K214 HydrophobicContact CZ-CD 4.42Å; F210-K214 WeakPolarHBondContact O-CB 3.41Å; F210-K214 PolarHBondContact O-N 2.92Å
211L95.4Very high89.1Confident0 Ų068 Ų680%033%0.331CS..Hα-helixtrans-66.1-39.1-178-66.6175.6000112.1I26 F30 T109 I111 V207 E208 R213 K214 F215I26-L211 HydrophobicContact CB-CD1 4.47Å; I26-L211 HydrophobicContact CD1-CD1 4.02Å; I26-L211 HydrophobicContact CG1-CD1 3.77Å; I26-L211 HydrophobicContact CG2-CD1 3.99Å; F30-L211 HydrophobicContact CD2-CB 4.45Å; F30-L211 HydrophobicContact CD2-CD1 4.08Å; F30-L211 HydrophobicContact CE1-CB 3.91Å; F30-L211 HydrophobicContact CE2-CB 3.74Å; F30-L211 HydrophobicContact CE2-CD1 3.69Å; F30-L211 HydrophobicContact CE2-CG 4.38Å; F30-L211 HydrophobicContact CZ-CB 3.43Å; F30-L211 VanDerWaalsContact CZ-CB 3.43Å; F30-L211 HydrophobicContact CZ-CD1 4.29Å; T109-L211 HydrophobicContact CG2-CD2 4.22Å; I111-L211 HydrophobicContact CD1-CD1 4.11Å; I111-L211 HydrophobicContact CD1-CD2 3.8Å; I111-L211 HydrophobicContact CD1-CG 4.42Å; I111-L211 HydrophobicContact CG1-CD2 4.4Å; V207-L211 HydrophobicContact CG1-CD1 3.9Å; V207-L211 HydrophobicContact CG1-CG 4.38Å; V207-L211 WeakPolarHBondContact O-CG 3.33Å; V207-L211 PolarHBondContact O-N 3.47Å; E208-L211 PolarHBondContact O-N 3.45Å; L211-R213 PolarHBondContact O-N 3.27Å; L211-K214 PolarHBondContact O-N 2.99Å; L211-F215 HydrophobicContact CB-CD2 4.45Å; L211-F215 HydrophobicContact CB-CE2 4.12Å; L211-F215 HydrophobicContact CB-CZ 4.3Å; L211-F215 HydrophobicContact CD2-CE1 3.97Å; L211-F215 HydrophobicContact CD2-CE2 4.27Å; L211-F215 HydrophobicContact CD2-CZ 3.62Å; L211-F215 HydrophobicContact CG-CZ 4.4Å; L211-F215 WeakPolarHBondContact O-CB 3.48Å; L211-F215 VanDerWaalsContact O-CG 3.29Å; L211-F215 WeakPolarHBondContact O-CG 3.49Å; L211-F215 PolarHBondContact O-N 3.47Å
212H94.4Very high87.5Confident92 Ų9265 Ų6543%0.42632%0.321SS..Hα-helixtrans-56.9-48.2172.1-83.2-63.4000112F30 E208 F210 S216F30-H212 AromaticContact CE1-CE1 3.72Å; F30-H212 AromaticContact CE1-CG 3.91Å; F30-H212 AromaticContact CE1-ND1 3.69Å; F30-H212 AromaticContact CE1-NE2 3.97Å; F30-H212 AromaticContact CZ-CD2 3.87Å; F30-H212 AromaticContact CZ-NE2 3.86Å; E208-H212 PolarHBondContact O-CD2 3.43Å; E208-H212 PolarHBondContact O-N 3.43Å; F210-H212 PolarHBondContact O-N 3.17Å; H212-S216 WeakPolarHBondContact O-CB 3.38Å; H212-S216 PolarHBondContact O-N 3.16Å; H212-S216 PolarHBondContact O-OG 2.92Å
213R93.9Very high85.3Confident164 Ų16464.4 Ų64.462%0.61934%0.34SS*.Hα-helixtrans-63-47177.6-70.1-171.3-58.1-99.42.8111.6A209 F210 L211 S217A209-R213 WeakPolarHBondContact O-CG 3.2Å; A209-R213 PolarHBondContact O-N 3.18Å; F210-R213 PolarHBondContact O-N 2.91Å; L211-R213 PolarHBondContact O-N 3.27Å; R213-S217 WeakPolarHBondContact O-CB 3.23Å; R213-S217 PolarHBondContact O-N 3.46Å
214K91.7Very high84.8Confident55 Ų5567.3 Ų67.324%0.23936%0.355CS..Hα-helixtrans-61.2-54.1-177.9-170.273.9173.4-164.90110.9D108 F210 L211 S216 S217 L218D108-K214 WeakPolarHBondContact O-CE 3.44Å; D108-K214 PolarHBondContact O-NZ 3.47Å; F210-K214 HydrophobicContact CZ-CD 4.42Å; F210-K214 WeakPolarHBondContact O-CB 3.41Å; F210-K214 PolarHBondContact O-N 2.92Å; L211-K214 PolarHBondContact O-N 2.99Å; K214-S216 PolarHBondContact O-N 3.37Å; K214-S217 PolarHBondContact O-N 3.08Å; K214-S217 PolarHBondContact O-OG 3.01Å; K214-L218 HydrophobicContact CG-CD1 4.24Å; K214-L218 VanDerWaalsContact O-CG 3.32Å; K214-L218 WeakPolarHBondContact O-CG 3.4Å; K214-L218 PolarHBondContact O-N 3.04Å; K214-L218 VanDerWaalsContact O-N 3.1Å
215F88.9Confident84.2Confident20 Ų2069.4 Ų69.49%0.08837%0.368CS..Hα-helixtrans-70.5-31.6-175.4-59.7-11.5000112.5I7 F30 L32 T109 L211 L218 S219I7-F215 HydrophobicContact CB-CE1 4.49Å; I7-F215 HydrophobicContact CD1-CB 4.19Å; I7-F215 HydrophobicContact CD1-CD1 3.56Å; I7-F215 HydrophobicContact CD1-CE1 4.1Å; I7-F215 HydrophobicContact CD1-CG 3.89Å; I7-F215 HydrophobicContact CG1-CD1 4.08Å; I7-F215 HydrophobicContact CG1-CD2 4.4Å; I7-F215 HydrophobicContact CG1-CE1 4.36Å; I7-F215 HydrophobicContact CG1-CG 4.12Å; I7-F215 HydrophobicContact CG2-CD1 3.95Å; I7-F215 HydrophobicContact CG2-CD2 4.49Å; I7-F215 HydrophobicContact CG2-CE1 3.36Å; I7-F215 HydrophobicContact CG2-CE2 3.98Å; I7-F215 HydrophobicContact CG2-CZ 3.37Å; F30-F215 HydrophobicContact CB-CD2 4.4Å; F30-F215 HydrophobicContact CB-CE2 4.04Å; F30-F215 AromaticContact CD1-CD2 3.57Å; F30-F215 HydrophobicContact CD1-CD2 3.57Å; F30-F215 AromaticContact CD1-CE2 3.8Å; F30-F215 HydrophobicContact CD1-CE2 3.8Å; F30-F215 HydrophobicContact CD2-CE2 4.45Å; F30-F215 HydrophobicContact CE1-CD2 4.08Å; F30-F215 HydrophobicContact CE1-CE2 4.39Å; F30-F215 HydrophobicContact CG-CD2 4.09Å; F30-F215 AromaticContact CG-CE2 3.83Å; F30-F215 HydrophobicContact CG-CE2 3.83Å; L32-F215 HydrophobicContact CD1-CE2 4.31Å; L32-F215 HydrophobicContact CD1-CZ 4.36Å; T109-F215 HydrophobicContact CG2-CE1 4.4Å; L211-F215 HydrophobicContact CB-CD2 4.45Å; L211-F215 HydrophobicContact CB-CE2 4.12Å; L211-F215 HydrophobicContact CB-CZ 4.3Å; L211-F215 HydrophobicContact CD2-CE1 3.97Å; L211-F215 HydrophobicContact CD2-CE2 4.27Å; L211-F215 HydrophobicContact CD2-CZ 3.62Å; L211-F215 HydrophobicContact CG-CZ 4.4Å; L211-F215 WeakPolarHBondContact O-CB 3.48Å; L211-F215 VanDerWaalsContact O-CG 3.29Å; L211-F215 WeakPolarHBondContact O-CG 3.49Å; L211-F215 PolarHBondContact O-N 3.47Å; F215-L218 HydrophobicContact CD1-CD1 4.3Å; F215-L218 PolarHBondContact O-N 2.9Å; F215-S219 PolarHBondContact O-N 3.44Å; F215-S219 VanDerWaalsContact O-N 3.08Å; F215-S219 PolarHBondContact O-OG 3.48Å
216S86.7Confident83.5Confident61 Ų6169.5 Ų69.543%0.42737%0.365SS..Hα-helixtrans-64.1-45.7171.5-58.40000111.5H212 K214 L218 S219 Q220H212-S216 WeakPolarHBondContact O-CB 3.38Å; H212-S216 PolarHBondContact O-N 3.16Å; H212-S216 PolarHBondContact O-OG 2.92Å; K214-S216 PolarHBondContact O-N 3.37Å; S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact O-N 3.5Å; S216-S219 PolarHBondContact O-N 3.38Å; S216-Q220 WeakPolarHBondContact O-CG 3.45Å; S216-Q220 PolarHBondContact O-N 3.16Å; S216-Q220 VanDerWaalsContact O-N 3.08Å
217S81.9Confident82.6Confident42 Ų4266.2 Ų66.229%0.29435%0.352SS..Hα-helixtrans-63.5-34.6178.576.20000113R213 K214 Q220 R221R213-S217 WeakPolarHBondContact O-CB 3.23Å; R213-S217 PolarHBondContact O-N 3.46Å; K214-S217 PolarHBondContact O-N 3.08Å; K214-S217 PolarHBondContact O-OG 3.01Å; S217-Q220 PolarHBondContact O-N 2.84Å; S217-R221 WeakPolarHBondContact O-CG 3.5Å; S217-R221 PolarHBondContact O-N 3.44Å; S217-R221 VanDerWaalsContact O-N 3.16Å
218L79.5Confident81.7Confident10 Ų1070.3 Ų70.35%0.05237%0.374CS..Hα-helixtrans-70.9-35.7177.8-68.7169.9000111.9I7 D108 K214 F215 S216 R221 A222I7-L218 HydrophobicContact CD1-CB 4.42Å; I7-L218 HydrophobicContact CD1-CD1 3.68Å; D108-L218 HydrophobicContact CB-CD1 3.83Å; K214-L218 HydrophobicContact CG-CD1 4.24Å; K214-L218 VanDerWaalsContact O-CG 3.32Å; K214-L218 WeakPolarHBondContact O-CG 3.4Å; K214-L218 PolarHBondContact O-N 3.04Å; K214-L218 VanDerWaalsContact O-N 3.1Å; F215-L218 HydrophobicContact CD1-CD1 4.3Å; F215-L218 PolarHBondContact O-N 2.9Å; S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact O-N 3.5Å; L218-R221 PolarHBondContact O-N 3.28Å; L218-A222 PolarHBondContact O-N 2.85Å
219S72.1Confident80.7Confident51 Ų5171.3 Ų71.336%0.35738%0.381SS..Hα-helixtrans-67.9-38.4175.4-57.10000111.6F215 S216 A222 A223F215-S219 PolarHBondContact O-N 3.44Å; F215-S219 VanDerWaalsContact O-N 3.08Å; F215-S219 PolarHBondContact O-OG 3.48Å; S216-S219 PolarHBondContact O-N 3.38Å; S219-A222 PolarHBondContact O-N 3.41Å; S219-A223 PolarHBondContact O-N 3.44Å
220Q66.6Low79.5Confident152 Ų15273.6 Ų73.671%0.7139%0.385SS*.Hα-helixtrans-69.5-32.2176.7-71.8176.2-5.600113.5S216 S217 A222S216-Q220 WeakPolarHBondContact O-CG 3.45Å; S216-Q220 PolarHBondContact O-N 3.16Å; S216-Q220 VanDerWaalsContact O-N 3.08Å; S217-Q220 PolarHBondContact O-N 2.84Å; Q220-A222 VanDerWaalsContact C-N 3.29Å
221R60.6Low78.1Confident200 Ų20077.6 Ų77.676%0.75541%0.408SS*.THydrogen-bonded Turntrans-76.5-15.1176.7-72.4178-178-172.61.1113.9S217 L218S217-R221 WeakPolarHBondContact O-CG 3.5Å; S217-R221 PolarHBondContact O-N 3.44Å; S217-R221 VanDerWaalsContact O-N 3.16Å; L218-R221 PolarHBondContact O-N 3.28Å
222A55.9Low76.7Confident46 Ų4684.1 Ų84.138%0.3844%0.442SS..  trans-98-8.5-17900000113.3R5 L218 S219 Q220R5-A222 HydrophobicContact CB-CB 4.03Å; L218-A222 PolarHBondContact O-N 2.85Å; S219-A222 PolarHBondContact O-N 3.41Å; Q220-A222 VanDerWaalsContact C-N 3.29Å
223A47.7Very low75Confident116 Ų11683.4 Ų83.496%0.95944%0.444SS*.  trans-95.80174.700000110.6V2 S219V2-A223 HydrophobicContact CG1-CB 4.08Å; S219-A223 PolarHBondContact O-N 3.44Å

Retrieved 223 of 223 residues in 53.3 ms (Link to these results)

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