A0A077ZCQ9_TRITR Loading...

Phosphoglycolate phosphatase

AlphaFold DB , UniProt , Accession A0A077ZCQ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 263 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
1G71.1Confident84Confident134 Ų13462.3 Ų62.3100%1.38137%0.374SS*.  0167.1000000109.8
2K79.6Confident82.8Confident139 Ų13962.3 Ų62.360%0.60438%0.379SS*.  trans-82.6140.5171.5-69.8174.6-176.4-90.10109.4F257K2-F257 HydrophobicContact CD-CD2 4.07Å; K2-F257 HydrophobicContact CD-CE2 3.52Å; K2-F257 HydrophobicContact CD-CZ 3.88Å
3R82.5Confident81.7Confident128 Ų12863.4 Ų63.448%0.48338%0.375SS..  trans-87.4138.3174.8-174.2-179.6-179.9-169.6-0.1108.9I5 D34 L186R3-I5 HydrophobicContact CG-CG1 4.35Å; R3-D34 IonicContact CZ-OD1 3Å; R3-D34 IonicContact NE-OD1 3.41Å; R3-D34 PolarHBondContact NE-OD1 2.8Å; R3-D34 IonicContact NH2-OD1 2.65Å; R3-D34 PolarHBondContact NH2-OD1 3.33Å; R3-L186 PolarHBondContact NH1-O 3.33Å
4V83.8Confident81.1Confident78 Ų7862.2 Ų62.247%0.47337%0.372SS..  trans-109.6127.8174.51780000107.9L6V4-L6 HydrophobicContact CG1-CD2 4.28Å
5I88.4Confident80.7Confident39 Ų3958.3 Ų58.320%0.235%0.348CS..  trans-118.7129.4176.1-60.9164.1000107.2R3 V7 D34 V36 V182 L186 I188R3-I5 HydrophobicContact CG-CG1 4.35Å; I5-V7 HydrophobicContact CG2-CG2 4Å; I5-D34 CarbonylContact C-O 3.58Å; I5-D34 WeakPolarHBondContact CA-O 3.13Å; I5-V36 HydrophobicContact CG2-CG2 4.07Å; I5-V182 HydrophobicContact CD1-CG1 4.26Å; I5-L186 HydrophobicContact CB-CD1 4.47Å; I5-L186 HydrophobicContact CD1-CB 4.14Å; I5-L186 HydrophobicContact CD1-CD1 3.71Å; I5-L186 HydrophobicContact CG1-CD1 4.01Å; I5-L186 HydrophobicContact CG2-CD1 3.6Å; I5-I188 HydrophobicContact CD1-CG2 3.57Å
6L88.3Confident80.4Confident47 Ų4756 Ų5625%0.24634%0.341CS..EExtended strand (participates in β ladder)trans-95.7122.7177.5-61-178.2000109.9V4 C22 V29 D34 I35 V36V4-L6 HydrophobicContact CG1-CD2 4.28Å; L6-C22 WeakPolarHBondContact CD1-SG 3.43Å; L6-V29 HydrophobicContact CD1-CG2 3.57Å; L6-V29 HydrophobicContact CG-CG2 4.18Å; L6-D34 PolarHBondContact N-O 2.93Å; L6-I35 HydrophobicContact CB-CG1 4.41Å; L6-I35 HydrophobicContact CD1-CG1 4.37Å; L6-V36 PolarHBondContact O-N 2.87Å
7V90.8Very high80.1Confident29 Ų2959 Ų5918%0.17635%0.35CS..EExtended strand (participates in β ladder)trans-120.4114.7-175.7-175.60000110I5 V36 K173 M178 V182I5-V7 HydrophobicContact CG2-CG2 4Å; V7-V36 CarbonylContact C-O 3.57Å; V7-V36 WeakPolarHBondContact CA-O 3.47Å; V7-V36 HydrophobicContact CG2-CB 4.46Å; V7-K173 HydrophobicContact CG1-CD 4.15Å; V7-K173 PolarHBondContact O-NZ 2.93Å; V7-K173 VanDerWaalsContact O-NZ 3.07Å; V7-M178 HydrophobicContact CG1-CE 4.46Å; V7-M178 HydrophobicContact CG1-CG 3.72Å; V7-M178 HydrophobicContact CG1-SD 3.16Å; V7-M178 WeakPolarHBondContact CG1-SD 3.44Å; V7-V182 HydrophobicContact CG2-CG2 4.23Å
8S89.4Confident79.8Confident31 Ų3157.1 Ų57.122%0.21734%0.336CS..EExtended strand (participates in β ladder)trans-129.6133.5-173.5-168.80000113.4N10 Y18 V36 T37 S38S8-N10 PolarHBondContact O-N 3.4Å; S8-N10 WeakPolarHBondContact OG-CB 3.44Å; S8-N10 PolarHBondContact OG-N 2.97Å; S8-Y18 PolarHBondContact OG-OH 3.14Å; S8-V36 PolarHBondContact N-O 2.87Å; S8-T37 CarbonylContact O-C 3.59Å; S8-T37 WeakPolarHBondContact O-CA 3.42Å; S8-S38 PolarHBondContact O-N 3.48Å
9N91.8Very high79.6Confident7 Ų756.4 Ų56.44%0.03733%0.332CS..  trans-71.8-13.1168.9-84.65000112.9S11 S38 N136 D138 G172 K173N9-S11 PolarHBondContact O-N 3.34Å; N9-S38 VanDerWaalsContact C-OG 3.32Å; N9-S38 WeakPolarHBondContact O-CB 3.46Å; N9-S38 PolarHBondContact O-OG 2.91Å; N9-N136 HydrophobicContact CB-CB 3.87Å; N9-N136 PolarHBondContact O-ND2 3.49Å; N9-D138 WeakPolarHBondContact CB-OD2 3.17Å; N9-D138 PolarHBondContact ND2-OD1 3.24Å; N9-D138 PolarHBondContact ND2-OD2 3.32Å; N9-G172 WeakPolarHBondContact OD1-CA 3.27Å; N9-K173 PolarHBondContact ND2-O 2.73Å; N9-K173 PolarHBondContact OD1-N 2.79Å
10N83.5Confident79.4Confident47 Ų4756.9 Ų56.925%0.25133%0.331SS..  trans-76.4118.5-176.1-177.1-15.9000111.8S8 S12 Y18S8-N10 PolarHBondContact O-N 3.4Å; S8-N10 WeakPolarHBondContact OG-CB 3.44Å; S8-N10 PolarHBondContact OG-N 2.97Å; N10-S12 PolarHBondContact ND2-OG 3.24Å; N10-S12 VanDerWaalsContact OD1-CB 3.32Å; N10-S12 WeakPolarHBondContact OD1-CB 3.44Å; N10-S12 PolarHBondContact OD1-N 3.43Å; N10-S12 PolarHBondContact OD1-OG 2.97Å; N10-Y18 WeakPolarHBondContact CB-OH 3.23Å
11S74.9Confident79.1Confident6 Ų659.1 Ų59.14%0.04234%0.337CS..  trans-95.19.3-179.262.60000114.6N9N9-S11 PolarHBondContact O-N 3.34Å
12S69.1Low79Confident62 Ų6253.1 Ų53.143%0.43427%0.274SS..SBendtrans-94.4-25.1-17568.10000114.7N10N10-S12 PolarHBondContact ND2-OG 3.24Å; N10-S12 VanDerWaalsContact OD1-CB 3.32Å; N10-S12 WeakPolarHBondContact OD1-CB 3.44Å; N10-S12 PolarHBondContact OD1-N 3.43Å; N10-S12 PolarHBondContact OD1-OG 2.97Å
13K69.6Low78.6Confident77 Ų7754.4 Ų54.434%0.33528%0.275SS..SBendtrans-104.6140-177.6-71.7179.7-179.1176.40111.3Q17 Y18K13-Q17 VanDerWaalsContact CA-OE1 3.23Å; K13-Q17 HydrophobicContact CB-CB 4.36Å; K13-Y18 HydrophobicContact CB-CD2 3.93Å; K13-Y18 HydrophobicContact CB-CE2 3.47Å; K13-Y18 VanDerWaalsContact CB-CE2 3.47Å; K13-Y18 HydrophobicContact CD-CE1 4.22Å; K13-Y18 HydrophobicContact CD-CE2 4.44Å
14S72.2Confident78.1Confident47 Ų4755.9 Ų55.933%0.32929%0.285SS..  trans-73.7156.6172.1720000111.4G16 Q17 Y18S14-G16 VanDerWaalsContact C-N 3.29Å; S14-G16 PolarHBondContact O-N 3.43Å; S14-Q17 WeakPolarHBondContact O-CB 3.3Å; S14-Q17 PolarHBondContact O-N 2.99Å; S14-Q17 WeakPolarHBondContact OG-CG 3.07Å; S14-Q17 PolarHBondContact OG-N 3.01Å; S14-Y18 WeakPolarHBondContact O-CD2 3.43Å; S14-Y18 PolarHBondContact O-N 3.1Å; S14-Y18 VanDerWaalsContact O-N 3.1Å
15P75.6Confident77.1Confident3 Ų357.5 Ų57.52%0.01929%0.29CS..Hα-helixtrans-50.6-45.9170.1-31.939.5000112.9Q17 Y18 V19 E32 I35 E67P15-Q17 VanDerWaalsContact C-N 3.32Å; P15-Q17 PolarHBondContact O-N 3.33Å; P15-Y18 CarbonylContact O-C 3.55Å; P15-Y18 WeakPolarHBondContact O-CA 3.13Å; P15-Y18 WeakPolarHBondContact O-CB 3.36Å; P15-Y18 PolarHBondContact O-N 3.3Å; P15-V19 PolarHBondContact O-N 3.47Å; P15-E32 HydrophobicContact CB-CB 4.11Å; P15-E32 HydrophobicContact CB-CG 4.32Å; P15-I35 HydrophobicContact CB-CB 4.27Å; P15-I35 HydrophobicContact CB-CG2 4.27Å; P15-I35 VanDerWaalsContact O-CD1 3.24Å; P15-I35 WeakPolarHBondContact O-CD1 3.41Å; P15-E67 WeakPolarHBondContact CD-OE1 3.32Å
16G75.2Confident76Confident22 Ų2258.8 Ų58.823%0.22731%0.313CS..Hα-helixtrans-59.1-37.6174.900000114.1S14 Y18 V19 E20 E32S14-G16 VanDerWaalsContact C-N 3.29Å; S14-G16 PolarHBondContact O-N 3.43Å; G16-Y18 VanDerWaalsContact C-N 3.29Å; G16-Y18 PolarHBondContact O-N 3.44Å; G16-V19 PolarHBondContact O-N 3.13Å; G16-E20 PolarHBondContact O-N 3.02Å; G16-E32 WeakPolarHBondContact CA-OE1 3.48Å; G16-E32 PolarHBondContact N-OE1 2.88Å
17Q76Confident75Confident107 Ų10759.6 Ų59.650%0.532%0.317SS..Hα-helixtrans-66.2-32.3173.8-73.3173.9-3600112.3K13 S14 P15 K21K13-Q17 VanDerWaalsContact CA-OE1 3.23Å; K13-Q17 HydrophobicContact CB-CB 4.36Å; S14-Q17 WeakPolarHBondContact O-CB 3.3Å; S14-Q17 PolarHBondContact O-N 2.99Å; S14-Q17 WeakPolarHBondContact OG-CG 3.07Å; S14-Q17 PolarHBondContact OG-N 3.01Å; P15-Q17 VanDerWaalsContact C-N 3.32Å; P15-Q17 PolarHBondContact O-N 3.33Å; Q17-K21 WeakPolarHBondContact O-CB 3.46Å; Q17-K21 PolarHBondContact O-N 3.21Å
18Y74.2Confident73.8Confident25 Ų2565.4 Ų65.410%0.09835%0.347CS..Hα-helixtrans-73.2-40173.1-82.2-68.4000112.3S8 N10 K13 S14 P15 G16 E20 K21 C22 I35 T37S8-Y18 PolarHBondContact OG-OH 3.14Å; N10-Y18 WeakPolarHBondContact CB-OH 3.23Å; K13-Y18 HydrophobicContact CB-CD2 3.93Å; K13-Y18 HydrophobicContact CB-CE2 3.47Å; K13-Y18 VanDerWaalsContact CB-CE2 3.47Å; K13-Y18 HydrophobicContact CD-CE1 4.22Å; K13-Y18 HydrophobicContact CD-CE2 4.44Å; S14-Y18 WeakPolarHBondContact O-CD2 3.43Å; S14-Y18 PolarHBondContact O-N 3.1Å; S14-Y18 VanDerWaalsContact O-N 3.1Å; P15-Y18 CarbonylContact O-C 3.55Å; P15-Y18 WeakPolarHBondContact O-CA 3.13Å; P15-Y18 WeakPolarHBondContact O-CB 3.36Å; P15-Y18 PolarHBondContact O-N 3.3Å; G16-Y18 VanDerWaalsContact C-N 3.29Å; G16-Y18 PolarHBondContact O-N 3.44Å; Y18-E20 VanDerWaalsContact C-N 3.29Å; Y18-E20 PolarHBondContact O-N 3.31Å; Y18-K21 PolarHBondContact O-N 3.43Å; Y18-C22 WeakPolarHBondContact O-CB 2.92Å; Y18-C22 PolarHBondContact O-N 3.18Å; Y18-C22 PolarHBondContact O-SG 2.61Å; Y18-I35 HydrophobicContact CD2-CG2 4.01Å; Y18-I35 HydrophobicContact CG-CG2 4.17Å; Y18-T37 HydrophobicContact CD2-CG2 4.1Å; Y18-T37 HydrophobicContact CE2-CG2 3.78Å
19V75.7Confident72.8Confident43 Ų4364.8 Ų64.826%0.26134%0.342SS..Hα-helixtrans-54.4-50172.3176.20000109.7P15 G16 K21 C22 R23 E32 I35P15-V19 PolarHBondContact O-N 3.47Å; G16-V19 PolarHBondContact O-N 3.13Å; V19-K21 VanDerWaalsContact C-N 3.35Å; V19-K21 PolarHBondContact O-N 3.36Å; V19-C22 PolarHBondContact O-N 3.36Å; V19-C22 VanDerWaalsContact O-N 3.14Å; V19-R23 WeakPolarHBondContact O-CB 3.29Å; V19-R23 PolarHBondContact O-N 3.06Å; V19-E32 HydrophobicContact CG2-CG 3.75Å; V19-I35 HydrophobicContact CB-CD1 4.26Å; V19-I35 HydrophobicContact CG2-CD1 3.33Å
20E77.4Confident71.5Confident67 Ų6769.5 Ų69.531%0.31338%0.375SS..Hα-helixtrans-63.3-39.8-179.918057.3-162.900112.3G16 Y18 C22 R23 K24G16-E20 PolarHBondContact O-N 3.02Å; Y18-E20 VanDerWaalsContact C-N 3.29Å; Y18-E20 PolarHBondContact O-N 3.31Å; E20-C22 VanDerWaalsContact C-N 3.33Å; E20-C22 PolarHBondContact O-N 3.5Å; E20-R23 VanDerWaalsContact CD-NH2 3.32Å; E20-R23 PolarHBondContact O-N 3.42Å; E20-R23 IonicContact OE1-CZ 3.39Å; E20-R23 IonicContact OE1-NE 2.66Å; E20-R23 IonicContact OE1-NH2 3.97Å; E20-R23 PolarHBondContact OE1-NH2 3.39Å; E20-R23 IonicContact OE2-CZ 3.97Å; E20-R23 IonicContact OE2-NE 2.73Å; E20-R23 PolarHBondContact OE2-NE 3.1Å; E20-R23 IonicContact OE2-NH2 3.63Å; E20-R23 PolarHBondContact OE2-NH2 3.3Å; E20-R23 VanDerWaalsContact OE2-NH2 3.1Å; E20-K24 WeakPolarHBondContact O-CG 3.22Å; E20-K24 PolarHBondContact O-N 2.76Å; E20-K24 WeakPolarHBondContact OE1-CE 2.99Å; E20-K24 IonicContact OE1-NZ 3.71Å
21K71.2Confident71.3Confident103 Ų10370 Ų7045%0.44838%0.381SS..Hα-helixtrans-61.9-42.3173.9-175.3179.2176.3-172.40111.3Q17 Y18 V19 K24 L25Q17-K21 WeakPolarHBondContact O-CB 3.46Å; Q17-K21 PolarHBondContact O-N 3.21Å; Y18-K21 PolarHBondContact O-N 3.43Å; V19-K21 VanDerWaalsContact C-N 3.35Å; V19-K21 PolarHBondContact O-N 3.36Å; K21-K24 PolarHBondContact O-N 3.47Å; K21-L25 HydrophobicContact CG-CD1 4.25Å; K21-L25 WeakPolarHBondContact O-CG 3.31Å; K21-L25 PolarHBondContact O-N 2.82Å
22C69.9Low71.7Confident8 Ų874.4 Ų74.45%0.05440%0.401CS..Hα-helixtrans-68.2-41.1-179.6-65.20000111.7L6 Y18 V19 E20 K24 L25 G26 I27 V29L6-C22 WeakPolarHBondContact CD1-SG 3.43Å; Y18-C22 WeakPolarHBondContact O-CB 2.92Å; Y18-C22 PolarHBondContact O-N 3.18Å; Y18-C22 PolarHBondContact O-SG 2.61Å; V19-C22 PolarHBondContact O-N 3.36Å; V19-C22 VanDerWaalsContact O-N 3.14Å; E20-C22 VanDerWaalsContact C-N 3.33Å; E20-C22 PolarHBondContact O-N 3.5Å; C22-K24 VanDerWaalsContact C-N 3.3Å; C22-K24 PolarHBondContact O-N 2.93Å; C22-L25 CarbonylContact O-C 3.55Å; C22-L25 WeakPolarHBondContact O-CA 2.97Å; C22-L25 PolarHBondContact O-N 2.93Å; C22-G26 PolarHBondContact O-N 3.18Å; C22-G26 VanDerWaalsContact O-N 3.11Å; C22-I27 CarbonylContact C-O 3.51Å; C22-I27 HydrophobicContact CB-CB 4.1Å; C22-I27 PolarHBondContact O-N 3.48Å; C22-V29 HydrophobicContact CB-CB 4.45Å; C22-V29 HydrophobicContact CB-CG2 3.58Å
23R71.9Confident72.5Confident167 Ų16776.5 Ų76.563%0.6341%0.407SS*.Hα-helixtrans-55.7-45172.2-168.3-178.97394.30.7111.6V19 E20 L25 G26V19-R23 WeakPolarHBondContact O-CB 3.29Å; V19-R23 PolarHBondContact O-N 3.06Å; E20-R23 VanDerWaalsContact CD-NH2 3.32Å; E20-R23 PolarHBondContact O-N 3.42Å; E20-R23 IonicContact OE1-CZ 3.39Å; E20-R23 IonicContact OE1-NE 2.66Å; E20-R23 IonicContact OE1-NH2 3.97Å; E20-R23 PolarHBondContact OE1-NH2 3.39Å; E20-R23 IonicContact OE2-CZ 3.97Å; E20-R23 IonicContact OE2-NE 2.73Å; E20-R23 PolarHBondContact OE2-NE 3.1Å; E20-R23 IonicContact OE2-NH2 3.63Å; E20-R23 PolarHBondContact OE2-NH2 3.3Å; E20-R23 VanDerWaalsContact OE2-NH2 3.1Å; R23-L25 PolarHBondContact O-N 2.73Å; R23-G26 PolarHBondContact O-N 2.86Å; R23-G26 VanDerWaalsContact O-N 3.14Å
24K70.4Confident73.2Confident158 Ų15873.1 Ų73.169%0.68739%0.392SS*.Hα-helixtrans-64.1-25.5175.5-72.7177.6-179.1-179.90114E20 K21 C22E20-K24 WeakPolarHBondContact O-CG 3.22Å; E20-K24 PolarHBondContact O-N 2.76Å; E20-K24 WeakPolarHBondContact OE1-CE 2.99Å; E20-K24 IonicContact OE1-NZ 3.71Å; K21-K24 PolarHBondContact O-N 3.47Å; C22-K24 VanDerWaalsContact C-N 3.3Å; C22-K24 PolarHBondContact O-N 2.93Å
25L64.6Low73.9Confident112 Ų11271 Ų7159%0.58638%0.377SS*.THydrogen-bonded Turntrans-92.72.1177.3-65.6173.2000113.1K21 C22 R23 I27K21-L25 HydrophobicContact CG-CD1 4.25Å; K21-L25 WeakPolarHBondContact O-CG 3.31Å; K21-L25 PolarHBondContact O-N 2.82Å; C22-L25 CarbonylContact O-C 3.55Å; C22-L25 WeakPolarHBondContact O-CA 2.97Å; C22-L25 PolarHBondContact O-N 2.93Å; R23-L25 PolarHBondContact O-N 2.73Å; L25-I27 VanDerWaalsContact C-N 3.27Å; L25-I27 HydrophobicContact CB-CD1 4.18Å; L25-I27 HydrophobicContact CB-CG1 4.21Å; L25-I27 PolarHBondContact O-N 3.25Å
26G65.1Low74.7Confident67 Ų6770.9 Ų70.969%0.69138%0.376SS*.THydrogen-bonded Turntrans72.816-176.300000114.4C22 R23C22-G26 PolarHBondContact O-N 3.18Å; C22-G26 VanDerWaalsContact O-N 3.11Å; R23-G26 PolarHBondContact O-N 2.86Å; R23-G26 VanDerWaalsContact O-N 3.14Å
27I66.2Low75.4Confident63 Ų6369.8 Ų69.832%0.32337%0.366SS..  trans-93.6113.5178.2-56.4173000108.7C22 L25 V29C22-I27 CarbonylContact C-O 3.51Å; C22-I27 HydrophobicContact CB-CB 4.1Å; C22-I27 PolarHBondContact O-N 3.48Å; L25-I27 VanDerWaalsContact C-N 3.27Å; L25-I27 HydrophobicContact CB-CD1 4.18Å; L25-I27 HydrophobicContact CB-CG1 4.21Å; L25-I27 PolarHBondContact O-N 3.25Å; I27-V29 HydrophobicContact CG2-CG2 4.14Å; I27-V29 PolarHBondContact O-N 2.65Å
28N65.6Low76.2Confident152 Ų15264.7 Ų64.781%0.81334%0.342SS*.  trans-75.790.9175.1-81.4-18.1000110.8
29V69.2Low77.1Confident17 Ų1763.6 Ų63.610%0.10334%0.337CS..  trans-86.5115.5164.4-1760000107.4L6 C22 I27 T31 D34 I35L6-V29 HydrophobicContact CD1-CG2 3.57Å; L6-V29 HydrophobicContact CG-CG2 4.18Å; C22-V29 HydrophobicContact CB-CB 4.45Å; C22-V29 HydrophobicContact CB-CG2 3.58Å; I27-V29 HydrophobicContact CG2-CG2 4.14Å; I27-V29 PolarHBondContact O-N 2.65Å; V29-T31 VanDerWaalsContact C-N 3.31Å; V29-T31 WeakPolarHBondContact CG1-O 3.47Å; V29-T31 PolarHBondContact O-N 2.83Å; V29-D34 HydrophobicContact CG1-CB 3.79Å; V29-I35 HydrophobicContact CG1-CD1 4.1Å; V29-I35 HydrophobicContact CG1-CG1 3.9Å
30S64.1Low77.9Confident106 Ų10663.4 Ų63.474%0.74133%0.332SS*.  trans-67.2-33.5-168.9-55.30000112.8
31T78.8Confident78.8Confident59 Ų5960.4 Ų60.436%0.36232%0.318SS..  trans-151.2159.3-174.165.90000111.9V29 N33 D34V29-T31 VanDerWaalsContact C-N 3.31Å; V29-T31 WeakPolarHBondContact CG1-O 3.47Å; V29-T31 PolarHBondContact O-N 2.83Å; T31-N33 PolarHBondContact O-N 2.94Å; T31-N33 WeakPolarHBondContact OG1-CB 3.42Å; T31-N33 PolarHBondContact OG1-N 2.96Å; T31-D34 PolarHBondContact N-OD2 2.87Å; T31-D34 WeakPolarHBondContact O-CB 2.88Å; T31-D34 PolarHBondContact O-N 3.45Å; T31-D34 VanDerWaalsContact O-N 3.1Å; T31-D34 PolarHBondContact OG1-N 2.87Å; T31-D34 PolarHBondContact OG1-OD2 3Å
32E83.1Confident80Confident98 Ų9855.5 Ų55.546%0.45830%0.297SS..G310 helixtrans-62-19.2167.3-68.8-169.1175.100113.1P15 G16 V19 D34 I35 R40P15-E32 HydrophobicContact CB-CB 4.11Å; P15-E32 HydrophobicContact CB-CG 4.32Å; G16-E32 WeakPolarHBondContact CA-OE1 3.48Å; G16-E32 PolarHBondContact N-OE1 2.88Å; V19-E32 HydrophobicContact CG2-CG 3.75Å; E32-D34 PolarHBondContact O-N 3.13Å; E32-I35 PolarHBondContact O-N 2.98Å; E32-R40 PolarHBondContact O-NH1 3.11Å
33N86Confident81.2Confident106 Ų10655.2 Ų55.257%0.56730%0.295SS*.G310 helixtrans-70-22.9175.6-65.1-17000111.9T31 I35 L186T31-N33 PolarHBondContact O-N 2.94Å; T31-N33 WeakPolarHBondContact OG1-CB 3.42Å; T31-N33 PolarHBondContact OG1-N 2.96Å; N33-I35 PolarHBondContact O-N 2.84Å; N33-L186 WeakPolarHBondContact O-CD2 3.27Å
34D85.5Confident82.3Confident5 Ų548.6 Ų48.63%0.02727%0.273CS..G310 helixtrans-80.85.6174.8-62-43.6000112.6R3 I5 L6 V29 T31 E32R3-D34 IonicContact CZ-OD1 3Å; R3-D34 IonicContact NE-OD1 3.41Å; R3-D34 PolarHBondContact NE-OD1 2.8Å; R3-D34 IonicContact NH2-OD1 2.65Å; R3-D34 PolarHBondContact NH2-OD1 3.33Å; I5-D34 CarbonylContact C-O 3.58Å; I5-D34 WeakPolarHBondContact CA-O 3.13Å; L6-D34 PolarHBondContact N-O 2.93Å; V29-D34 HydrophobicContact CG1-CB 3.79Å; T31-D34 PolarHBondContact N-OD2 2.87Å; T31-D34 WeakPolarHBondContact O-CB 2.88Å; T31-D34 PolarHBondContact O-N 3.45Å; T31-D34 VanDerWaalsContact O-N 3.1Å; T31-D34 PolarHBondContact OG1-N 2.87Å; T31-D34 PolarHBondContact OG1-OD2 3Å; E32-D34 PolarHBondContact O-N 3.13Å
35I86.7Confident83.5Confident3 Ų344.1 Ų44.12%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-115.9113178.7-58.1168.8000109L6 P15 Y18 V19 V29 E32 N33 T37 R40L6-I35 HydrophobicContact CB-CG1 4.41Å; L6-I35 HydrophobicContact CD1-CG1 4.37Å; P15-I35 HydrophobicContact CB-CB 4.27Å; P15-I35 HydrophobicContact CB-CG2 4.27Å; P15-I35 VanDerWaalsContact O-CD1 3.24Å; P15-I35 WeakPolarHBondContact O-CD1 3.41Å; Y18-I35 HydrophobicContact CD2-CG2 4.01Å; Y18-I35 HydrophobicContact CG-CG2 4.17Å; V19-I35 HydrophobicContact CB-CD1 4.26Å; V19-I35 HydrophobicContact CG2-CD1 3.33Å; V29-I35 HydrophobicContact CG1-CD1 4.1Å; V29-I35 HydrophobicContact CG1-CG1 3.9Å; E32-I35 PolarHBondContact O-N 2.98Å; N33-I35 PolarHBondContact O-N 2.84Å; I35-T37 HydrophobicContact CG2-CG2 4.28Å; I35-R40 PolarHBondContact O-NH1 3.43Å
36V91.3Very high85.1Confident0 Ų038.8 Ų38.80%023%0.225CC..EExtended strand (participates in β ladder)trans-112.6110-179.6-176.50000109I5 L6 V7 S8 V41 M178 Y181 V182 L186I5-V36 HydrophobicContact CG2-CG2 4.07Å; L6-V36 PolarHBondContact O-N 2.87Å; V7-V36 CarbonylContact C-O 3.57Å; V7-V36 WeakPolarHBondContact CA-O 3.47Å; V7-V36 HydrophobicContact CG2-CB 4.46Å; S8-V36 PolarHBondContact N-O 2.87Å; V36-V41 HydrophobicContact CG1-CG2 3.66Å; V36-M178 HydrophobicContact CG1-CG 4.29Å; V36-Y181 HydrophobicContact CB-CD1 4.43Å; V36-Y181 HydrophobicContact CB-CE1 4.35Å; V36-Y181 HydrophobicContact CG1-CD1 3.51Å; V36-Y181 HydrophobicContact CG1-CE1 3.77Å; V36-Y181 HydrophobicContact CG1-CG 4.49Å; V36-Y181 HydrophobicContact CG2-CD1 4.06Å; V36-Y181 HydrophobicContact CG2-CE1 3.78Å; V36-V182 HydrophobicContact CB-CG2 4.26Å; V36-V182 HydrophobicContact CG1-CG2 4.05Å; V36-V182 HydrophobicContact CG2-CG2 3.97Å; V36-L186 HydrophobicContact CG2-CD1 3.73Å
37T91.6Very high86.5Confident0 Ų040.4 Ų40.40%021%0.213CC..EExtended strand (participates in β ladder)trans-103.9155.3173.562.50000110.3S8 Y18 I35 S39 R40 V41S8-T37 CarbonylContact O-C 3.59Å; S8-T37 WeakPolarHBondContact O-CA 3.42Å; Y18-T37 HydrophobicContact CD2-CG2 4.1Å; Y18-T37 HydrophobicContact CE2-CG2 3.78Å; I35-T37 HydrophobicContact CG2-CG2 4.28Å; T37-S39 PolarHBondContact O-N 3.43Å; T37-S39 PolarHBondContact OG1-OG 3.27Å; T37-R40 PolarHBondContact O-N 2.89Å; T37-R40 VanDerWaalsContact O-N 3.09Å; T37-R40 WeakPolarHBondContact OG1-CB 3.36Å; T37-R40 PolarHBondContact OG1-N 3.14Å; T37-V41 WeakPolarHBondContact O-CG2 3.26Å; T37-V41 PolarHBondContact O-N 3.13Å
38S93Very high87.9Confident0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-56.6-30.9171.460.20000113.3S8 N9 A42 T135S8-S38 PolarHBondContact O-N 3.48Å; N9-S38 VanDerWaalsContact C-OG 3.32Å; N9-S38 WeakPolarHBondContact O-CB 3.46Å; N9-S38 PolarHBondContact O-OG 2.91Å; S38-A42 VanDerWaalsContact O-CB 3.27Å; S38-A42 WeakPolarHBondContact O-CB 3.43Å; S38-A42 PolarHBondContact O-N 3.24Å; S38-T135 VanDerWaalsContact CB-O 3.24Å; S38-T135 WeakPolarHBondContact CB-O 3.17Å
39S92.8Very high89.3Confident1 Ų136.2 Ų36.21%0.00719%0.191CC..Hα-helixtrans-66.6-39.8174.851.70000112.9T37 A42 S43T37-S39 PolarHBondContact O-N 3.43Å; T37-S39 PolarHBondContact OG1-OG 3.27Å; S39-A42 PolarHBondContact O-N 3.14Å; S39-S43 PolarHBondContact O-N 3.45Å; S39-S43 PolarHBondContact O-OG 3.5Å
40R92.4Very high90.3Very high39 Ų3940.3 Ų40.315%0.14722%0.218CC..Hα-helixtrans-70.6-41.2176.4177.5164.4-75.7-175.7-18.4112E32 I35 T37 A42 S43 T44 E67 Y181E32-R40 PolarHBondContact O-NH1 3.11Å; I35-R40 PolarHBondContact O-NH1 3.43Å; T37-R40 PolarHBondContact O-N 2.89Å; T37-R40 VanDerWaalsContact O-N 3.09Å; T37-R40 WeakPolarHBondContact OG1-CB 3.36Å; T37-R40 PolarHBondContact OG1-N 3.14Å; R40-A42 VanDerWaalsContact C-N 3.27Å; R40-A42 PolarHBondContact O-N 3.04Å; R40-S43 PolarHBondContact O-N 3.19Å; R40-S43 PolarHBondContact O-OG 3.09Å; R40-T44 PolarHBondContact O-N 3.31Å; R40-T44 PolarHBondContact O-OG1 2.93Å; R40-E67 IonicContact NE-OE2 3.37Å; R40-E67 PolarHBondContact NE-OE2 3.3Å; R40-E67 IonicContact NH2-OE1 3.72Å; R40-Y181 VanDerWaalsContact CD-OH 3.3Å; R40-Y181 WeakPolarHBondContact CD-OH 3.17Å; R40-Y181 HydrophobicContact CG-CE1 4.48Å; R40-Y181 HydrophobicContact CG-CE2 4.26Å; R40-Y181 WeakPolarHBondContact CG-OH 3.48Å
41V95.4Very high91.3Very high4 Ų442.8 Ų42.82%0.02422%0.223CC..Hα-helixtrans-60.2-42.5172.4-179.30000109.9V36 T37 Y45 L171 M178 Y181V36-V41 HydrophobicContact CG1-CG2 3.66Å; T37-V41 WeakPolarHBondContact O-CG2 3.26Å; T37-V41 PolarHBondContact O-N 3.13Å; V41-Y45 WeakPolarHBondContact O-CB 3.29Å; V41-Y45 PolarHBondContact O-N 3.43Å; V41-L171 HydrophobicContact CG1-CB 4.01Å; V41-M178 HydrophobicContact CG2-CB 4.19Å; V41-M178 HydrophobicContact CG2-CE 4.05Å; V41-M178 HydrophobicContact CG2-CG 4.09Å; V41-Y181 HydrophobicContact CG2-CD1 4.13Å; V41-Y181 HydrophobicContact CG2-CD2 4.4Å; V41-Y181 HydrophobicContact CG2-CG 3.9Å
42A96.5Very high91.6Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-63.2-45.2176.400000113.9S38 S39 R40 Y45 L46 L106 T135 L171S38-A42 VanDerWaalsContact O-CB 3.27Å; S38-A42 WeakPolarHBondContact O-CB 3.43Å; S38-A42 PolarHBondContact O-N 3.24Å; S39-A42 PolarHBondContact O-N 3.14Å; R40-A42 VanDerWaalsContact C-N 3.27Å; R40-A42 PolarHBondContact O-N 3.04Å; A42-Y45 PolarHBondContact O-N 3.09Å; A42-L46 WeakPolarHBondContact O-CB 3.31Å; A42-L46 VanDerWaalsContact O-CG 3.31Å; A42-L46 WeakPolarHBondContact O-CG 3.29Å; A42-L46 PolarHBondContact O-N 3.02Å; A42-L106 HydrophobicContact CB-CD1 4.03Å; A42-L106 HydrophobicContact CB-CD2 4.18Å; A42-T135 HydrophobicContact CB-CG2 4.19Å; A42-L171 HydrophobicContact CB-CD1 3.61Å
43S95Very high91.9Very high3 Ų344.1 Ų44.12%0.02123%0.229CC..Hα-helixtrans-65.7-42.7179.867.20000111.7S39 R40 K47 E67S39-S43 PolarHBondContact O-N 3.45Å; S39-S43 PolarHBondContact O-OG 3.5Å; R40-S43 PolarHBondContact O-N 3.19Å; R40-S43 PolarHBondContact O-OG 3.09Å; S43-K47 WeakPolarHBondContact O-CB 3.37Å; S43-K47 PolarHBondContact O-N 3.15Å; S43-E67 VanDerWaalsContact CB-O 3.31Å; S43-E67 WeakPolarHBondContact CB-O 3.38Å
44T94.6Very high92.3Very high27 Ų2741 Ų4117%0.16622%0.221CC..Hα-helixtrans-66.2-43174.5-65.90000112.3R40 L46 K47 N48 Y181R40-T44 PolarHBondContact O-N 3.31Å; R40-T44 PolarHBondContact O-OG1 2.93Å; T44-L46 PolarHBondContact O-N 3.19Å; T44-K47 PolarHBondContact O-N 3.2Å; T44-N48 WeakPolarHBondContact O-CB 3.32Å; T44-N48 PolarHBondContact O-N 3.05Å; T44-N48 PolarHBondContact O-ND2 2.89Å; T44-Y181 HydrophobicContact CG2-CD2 4.04Å; T44-Y181 HydrophobicContact CG2-CE2 3.94Å; T44-Y181 WeakPolarHBondContact OG1-CE2 3.12Å
45Y96.6Very high92.9Very high64 Ų6443.8 Ų43.825%0.25123%0.231SC..Hα-helixtrans-57.5-51.6176.3175.5-94.8000111.2V41 A42 K47 N48 L49 V133 I169 L171V41-Y45 WeakPolarHBondContact O-CB 3.29Å; V41-Y45 PolarHBondContact O-N 3.43Å; A42-Y45 PolarHBondContact O-N 3.09Å; Y45-K47 PolarHBondContact O-N 3.18Å; Y45-N48 PolarHBondContact O-N 2.93Å; Y45-L49 HydrophobicContact CE1-CD1 4.14Å; Y45-L49 HydrophobicContact CE1-CD2 4.04Å; Y45-L49 HydrophobicContact CE1-CG 4.22Å; Y45-L49 PolarHBondContact O-N 3.4Å; Y45-V133 HydrophobicContact CD1-CG1 4.23Å; Y45-V133 HydrophobicContact CD1-CG2 4.4Å; Y45-V133 HydrophobicContact CE1-CG1 4.32Å; Y45-V133 HydrophobicContact CE1-CG2 3.86Å; Y45-I169 WeakPolarHBondContact OH-CD1 3.25Å; Y45-L171 HydrophobicContact CD1-CD1 4.24Å; Y45-L171 HydrophobicContact CD1-CD2 4.24Å; Y45-L171 HydrophobicContact CD2-CD2 4Å; Y45-L171 HydrophobicContact CE2-CD2 4.43Å; Y45-L171 HydrophobicContact CG-CD1 4.19Å; Y45-L171 HydrophobicContact CG-CD2 3.91Å
46L97Very high93.4Very high0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-66-37.4-179.6-71.4166.4000112.4A42 T44 N48 L49 R52 V56 L68 V73 F103 A104 L106 V133A42-L46 WeakPolarHBondContact O-CB 3.31Å; A42-L46 VanDerWaalsContact O-CG 3.31Å; A42-L46 WeakPolarHBondContact O-CG 3.29Å; A42-L46 PolarHBondContact O-N 3.02Å; T44-L46 PolarHBondContact O-N 3.19Å; L46-N48 VanDerWaalsContact C-N 3.27Å; L46-N48 PolarHBondContact O-N 3.49Å; L46-L49 HydrophobicContact CD2-CD1 3.85Å; L46-L49 PolarHBondContact O-N 2.89Å; L46-R52 WeakPolarHBondContact O-CD 3.4Å; L46-V56 HydrophobicContact CD1-CG1 4.13Å; L46-V56 HydrophobicContact CD1-CG2 4.23Å; L46-V56 HydrophobicContact CD2-CG2 4.44Å; L46-L68 HydrophobicContact CD1-CD2 3.7Å; L46-V73 HydrophobicContact CB-CG1 4.27Å; L46-V73 HydrophobicContact CB-CG2 4.37Å; L46-F103 HydrophobicContact CD2-CE2 4.18Å; L46-A104 HydrophobicContact CD2-CB 3.79Å; L46-L106 HydrophobicContact CD1-CB 4.34Å; L46-L106 HydrophobicContact CD1-CD1 4.39Å; L46-L106 HydrophobicContact CD1-CD2 3.75Å; L46-L106 HydrophobicContact CD1-CG 4.39Å; L46-V133 HydrophobicContact CD2-CG2 4.23Å
47K95.8Very high93.8Very high101 Ų10143.7 Ų43.744%0.43923%0.231SC..Hα-helixtrans-59-40174.9176.3-171.6173.3-174.20112S43 T44 Y45 R52 A71 V73S43-K47 WeakPolarHBondContact O-CB 3.37Å; S43-K47 PolarHBondContact O-N 3.15Å; T44-K47 PolarHBondContact O-N 3.2Å; Y45-K47 PolarHBondContact O-N 3.18Å; K47-R52 PolarHBondContact O-NE 3.28Å; K47-A71 HydrophobicContact CB-CB 4.42Å; K47-A71 HydrophobicContact CD-CB 4.39Å; K47-V73 HydrophobicContact CB-CG2 3.96Å
48N94.9Very high94.1Very high103 Ų10343.7 Ų43.755%0.55123%0.231SC*.THydrogen-bonded Turntrans-90.61.3-173.6-67.5-13.3000113.7T44 Y45 L46T44-N48 WeakPolarHBondContact O-CB 3.32Å; T44-N48 PolarHBondContact O-N 3.05Å; T44-N48 PolarHBondContact O-ND2 2.89Å; Y45-N48 PolarHBondContact O-N 2.93Å; L46-N48 VanDerWaalsContact C-N 3.27Å; L46-N48 PolarHBondContact O-N 3.49Å
49L94.5Very high94.3Very high25 Ų2543.7 Ų43.713%0.13123%0.231CC..  trans-63128.5174.7-79175.2000110.5Y45 L46 R52 F103 R131Y45-L49 HydrophobicContact CE1-CD1 4.14Å; Y45-L49 HydrophobicContact CE1-CD2 4.04Å; Y45-L49 HydrophobicContact CE1-CG 4.22Å; Y45-L49 PolarHBondContact O-N 3.4Å; L46-L49 HydrophobicContact CD2-CD1 3.85Å; L46-L49 PolarHBondContact O-N 2.89Å; L49-R52 HydrophobicContact CB-CB 4.42Å; L49-F103 HydrophobicContact CD1-CD2 4.46Å; L49-F103 HydrophobicContact CD1-CE2 4.06Å; L49-R131 HydrophobicContact CD1-CG 4.17Å
50P91.3Very high94.5Very high103 Ų10343.7 Ų43.767%0.66923%0.23SC*.THydrogen-bonded Turntrans-66.2146.4177.528.4-34.4000110.3R52P50-R52 PolarHBondContact O-N 3.48Å; P50-R52 VanDerWaalsContact O-N 3.12Å
51N83.9Confident94.4Very high158 Ų15843.1 Ų43.185%0.84524%0.237SC*.THydrogen-bonded Turntrans55.227.6176.2-51.7-34.3000114.2T53N51-T53 PolarHBondContact O-N 3.41Å
52R86.8Confident94.2Very high82 Ų8248.6 Ų48.631%0.30926%0.262SS..  trans-65.4122.3175.372.4-177.2-178.2104.6-4.2110L46 K47 L49 P50 N72 F103L46-R52 WeakPolarHBondContact O-CD 3.4Å; K47-R52 PolarHBondContact O-NE 3.28Å; L49-R52 HydrophobicContact CB-CB 4.42Å; P50-R52 PolarHBondContact O-N 3.48Å; P50-R52 VanDerWaalsContact O-N 3.12Å; R52-N72 PolarHBondContact NH1-O 3.18Å; R52-N72 PolarHBondContact NH2-O 3.32Å; R52-F103 HydrophobicContact CB-CD2 4.15Å; R52-F103 HydrophobicContact CB-CE1 4.48Å; R52-F103 HydrophobicContact CB-CE2 3.95Å; R52-F103 HydrophobicContact CB-CZ 4.12Å
53T88.4Confident93.8Very high103 Ų10349.4 Ų49.463%0.63227%0.271SS*.  trans-130.3136173.353.90000109.2N51 F103N51-T53 PolarHBondContact O-N 3.41Å; T53-F103 WeakPolarHBondContact O-CB 3.26Å; T53-F103 WeakPolarHBondContact O-CD1 3.37Å
54G94.9Very high93.8Very high39 Ų3949.3 Ų49.340%0.40227%0.27SS..SBendtrans83.8-147.1179.500000114D101 F103G54-D101 CarbonylContact C-O 3.49Å; G54-D101 WeakPolarHBondContact CA-O 3.45Å; G54-F103 WeakPolarHBondContact O-CE1 3.49Å
55R97.4Very high93.8Very high65 Ų6548 Ų4825%0.24526%0.263CS..EExtended strand (participates in β ladder)trans-117.8157.9-159.7-50.3-177.573.5-161.11113.2D74 H75 F76 E99 D101 V102 F103R55-D74 WeakPolarHBondContact CD-OD2 3.39Å; R55-D74 HydrophobicContact CG-CB 4.41Å; R55-D74 VanDerWaalsContact CG-OD2 3.3Å; R55-D74 WeakPolarHBondContact CG-OD2 3.36Å; R55-D74 IonicContact CZ-OD1 3.85Å; R55-D74 IonicContact CZ-OD2 3.91Å; R55-D74 IonicContact NE-OD1 3.33Å; R55-D74 PolarHBondContact NE-OD1 2.79Å; R55-D74 IonicContact NE-OD2 2.95Å; R55-D74 PolarHBondContact NE-OD2 3.21Å; R55-D74 IonicContact NH2-OD1 3.44Å; R55-D74 PolarHBondContact NH2-OD1 3.15Å; R55-H75 PolarHBondContact NH2-O 3.24Å; R55-H75 VanDerWaalsContact NH2-O 3.07Å; R55-F76 HydrophobicContact CB-CD1 3.94Å; R55-F76 HydrophobicContact CB-CE1 3.95Å; R55-E99 IonicContact NH1-OE1 3.79Å; R55-D101 PolarHBondContact N-O 3.03Å; R55-V102 WeakPolarHBondContact O-CA 3.44Å; R55-F103 WeakPolarHBondContact O-CD1 3.35Å; R55-F103 PolarHBondContact O-N 3.03Å; R55-F103 VanDerWaalsContact O-N 3.1Å
56V98.4Very high93.6Very high0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-97.5124.6171.2-175.90000109.9L46 V58 V73 D74 H75 F76 F103 A104 L106L46-V56 HydrophobicContact CD1-CG1 4.13Å; L46-V56 HydrophobicContact CD1-CG2 4.23Å; L46-V56 HydrophobicContact CD2-CG2 4.44Å; V56-V58 HydrophobicContact CB-CG2 4.37Å; V56-V58 HydrophobicContact CG1-CG2 3.86Å; V56-V73 HydrophobicContact CB-CG1 4.45Å; V56-V73 HydrophobicContact CG2-CG1 3.5Å; V56-D74 PolarHBondContact N-O 3.06Å; V56-H75 HydrophobicContact CB-CB 4.17Å; V56-H75 CarbonylContact O-C 3.59Å; V56-H75 WeakPolarHBondContact O-CA 3.05Å; V56-H75 WeakPolarHBondContact O-CB 3.44Å; V56-F76 WeakPolarHBondContact O-CD1 3.35Å; V56-F76 PolarHBondContact O-N 3.03Å; V56-F103 HydrophobicContact CG2-CD1 4.46Å; V56-F103 HydrophobicContact CG2-CE1 3.53Å; V56-F103 HydrophobicContact CG2-CE2 4.04Å; V56-F103 HydrophobicContact CG2-CZ 3.27Å; V56-A104 WeakPolarHBondContact CA-O 3.43Å; V56-A104 HydrophobicContact CG1-CB 4.23Å; V56-A104 HydrophobicContact CG2-CB 4.3Å; V56-L106 HydrophobicContact CG1-CB 3.73Å
57Y98.6Very high93.3Very high1 Ų150 Ų500%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-82.4121.7167-177.6-121.8000109.8L59 F76 A104 V105 L106 K117 K120 A121 Y124Y57-L59 HydrophobicContact CD1-CD2 4.47Å; Y57-L59 HydrophobicContact CE1-CD2 3.61Å; Y57-L59 HydrophobicContact CE1-CG 4.29Å; Y57-F76 AromaticContact CD2-CD2 3.73Å; Y57-F76 HydrophobicContact CD2-CD2 3.73Å; Y57-F76 HydrophobicContact CD2-CE1 4.34Å; Y57-F76 AromaticContact CD2-CE2 3.3Å; Y57-F76 HydrophobicContact CD2-CE2 3.3Å; Y57-F76 HydrophobicContact CD2-CG 4.41Å; Y57-F76 AromaticContact CD2-CZ 3.64Å; Y57-F76 HydrophobicContact CD2-CZ 3.64Å; Y57-F76 HydrophobicContact CE2-CD2 4.22Å; Y57-F76 AromaticContact CE2-CE2 3.92Å; Y57-F76 HydrophobicContact CE2-CE2 3.92Å; Y57-F76 HydrophobicContact CG-CE2 4.18Å; Y57-F76 HydrophobicContact CG-CZ 4.08Å; Y57-A104 PolarHBondContact N-O 2.87Å; Y57-V105 HydrophobicContact CD1-CG1 4.37Å; Y57-V105 HydrophobicContact CD1-CG2 4.39Å; Y57-V105 CarbonylContact O-C 3.45Å; Y57-V105 WeakPolarHBondContact O-CA 3.05Å; Y57-L106 PolarHBondContact O-N 2.81Å; Y57-K117 VanDerWaalsContact OH-CA 3.27Å; Y57-K117 WeakPolarHBondContact OH-CA 3.49Å; Y57-K117 WeakPolarHBondContact OH-CB 3.39Å; Y57-K117 PolarHBondContact OH-O 3.05Å; Y57-K120 HydrophobicContact CE1-CB 3.79Å; Y57-K120 HydrophobicContact CE2-CB 4.45Å; Y57-K120 HydrophobicContact CE2-CD 4.37Å; Y57-A121 HydrophobicContact CD1-CB 4.14Å; Y57-A121 HydrophobicContact CE1-CB 3.86Å; Y57-Y124 AromaticContact CD1-CD2 3.64Å; Y57-Y124 HydrophobicContact CD1-CD2 3.64Å; Y57-Y124 AromaticContact CD1-CE2 3.77Å; Y57-Y124 HydrophobicContact CD1-CE2 3.77Å; Y57-Y124 AromaticContact CD2-CE2 3.92Å; Y57-Y124 HydrophobicContact CD2-CE2 3.92Å; Y57-Y124 HydrophobicContact CE1-CD2 4.39Å; Y57-Y124 HydrophobicContact CE1-CE2 4.31Å; Y57-Y124 HydrophobicContact CE2-CE2 4.45Å; Y57-Y124 AromaticContact CG-CD2 3.73Å; Y57-Y124 HydrophobicContact CG-CD2 3.73Å; Y57-Y124 AromaticContact CG-CE2 3.54Å; Y57-Y124 HydrophobicContact CG-CE2 3.54Å
58V98.2Very high93.3Very high0 Ų045.1 Ų45.10%026%0.256CS..EExtended strand (participates in β ladder)trans-113.6123.2-172-171.70000110.6V56 L64 L68 H75 F76 G77 I78 L106V56-V58 HydrophobicContact CB-CG2 4.37Å; V56-V58 HydrophobicContact CG1-CG2 3.86Å; V58-L64 HydrophobicContact CG1-CD2 3.58Å; V58-L64 HydrophobicContact CG1-CG 4.12Å; V58-L68 HydrophobicContact CG1-CD1 4.45Å; V58-L68 HydrophobicContact CG2-CD1 3.48Å; V58-L68 VanDerWaalsContact CG2-CD1 3.48Å; V58-H75 HydrophobicContact CG2-CB 3.81Å; V58-F76 PolarHBondContact N-O 3.06Å; V58-G77 CarbonylContact O-C 3.49Å; V58-G77 VanDerWaalsContact O-C 3.25Å; V58-G77 VanDerWaalsContact O-O 3.07Å; V58-I78 HydrophobicContact CB-CD1 3.9Å; V58-I78 HydrophobicContact CG1-CD1 3.54Å; V58-L106 WeakPolarHBondContact CA-O 3.44Å; V58-L106 HydrophobicContact CG1-CD2 4.47Å; V58-L106 HydrophobicContact CG2-CB 4.49Å
59L97.9Very high93.3Very high0 Ų047.8 Ų47.80%026%0.262CS..EExtended strand (participates in β ladder)trans-9494161.4-56.7-175000107.4Y57 L106 V107 G108 I113 K117 A121 I156 I160Y57-L59 HydrophobicContact CD1-CD2 4.47Å; Y57-L59 HydrophobicContact CE1-CD2 3.61Å; Y57-L59 HydrophobicContact CE1-CG 4.29Å; L59-L106 PolarHBondContact N-O 2.84Å; L59-V107 HydrophobicContact CB-CG1 4.33Å; L59-V107 HydrophobicContact CB-CG2 4.42Å; L59-V107 HydrophobicContact CD1-CG1 4.43Å; L59-V107 HydrophobicContact CD1-CG2 3.97Å; L59-V107 HydrophobicContact CG-CG2 4.4Å; L59-G108 CarbonylContact O-C 3.59Å; L59-G108 PolarHBondContact O-N 2.97Å; L59-I113 HydrophobicContact CD1-CD1 4.06Å; L59-I113 HydrophobicContact CD2-CD1 4.34Å; L59-K117 HydrophobicContact CD2-CB 3.78Å; L59-A121 HydrophobicContact CD1-CB 3.95Å; L59-A121 HydrophobicContact CG-CB 4.49Å; L59-I156 HydrophobicContact CD1-CG2 4.14Å; L59-I160 HydrophobicContact CD1-CD1 4.01Å; L59-I160 HydrophobicContact CD1-CG1 3.86Å
60G95.3Very high93.3Very high0 Ų050.4 Ų50.40%029%0.288CS..SBendtrans-178.1171.1-176.600000115.1D110G60-D110 PolarHBondContact N-OD2 3.38Å
61G92.2Very high93.4Very high28 Ų2846 Ų4629%0.28926%0.26SS..  trans-84.6172.1177.300000115G63 L64 G65 F109G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 3.36Å; G61-G63 VanDerWaalsContact O-N 3.14Å; G61-L64 WeakPolarHBondContact O-CB 3.39Å; G61-L64 PolarHBondContact O-N 3.23Å; G61-G65 PolarHBondContact O-N 2.81Å; G61-F109 PolarHBondContact N-O 2.98Å
62Q91.2Very high93.9Very high118 Ų11844.7 Ų44.755%0.55125%0.253SS*.Hα-helixtrans-54.5-36-174.7-16961.750.200114.5L64 G65 N66Q62-L64 VanDerWaalsContact C-N 3.27Å; Q62-L64 PolarHBondContact O-N 3.11Å; Q62-G65 PolarHBondContact O-N 3.09Å; Q62-N66 PolarHBondContact NE2-OD1 2.89Å; Q62-N66 PolarHBondContact O-N 3.06Å; Q62-N66 PolarHBondContact O-OD1 2.8Å
63G88.1Confident94.4Very high18 Ų1840.9 Ų40.919%0.18624%0.239CC..Hα-helixtrans-58.9-3817800000113G61 N66 E67G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 3.36Å; G61-G63 VanDerWaalsContact O-N 3.14Å; G63-N66 PolarHBondContact O-N 2.84Å; G63-E67 PolarHBondContact O-N 3.09Å
64L93.2Very high94.8Very high0 Ų039.9 Ų39.90%023%0.23CC..Hα-helixtrans-69.5-43.3175.5-177.457.8000111.5V58 G61 Q62 N66 E67 L68 L106 T135V58-L64 HydrophobicContact CG1-CD2 3.58Å; V58-L64 HydrophobicContact CG1-CG 4.12Å; G61-L64 WeakPolarHBondContact O-CB 3.39Å; G61-L64 PolarHBondContact O-N 3.23Å; Q62-L64 VanDerWaalsContact C-N 3.27Å; Q62-L64 PolarHBondContact O-N 3.11Å; L64-N66 VanDerWaalsContact C-N 3.29Å; L64-N66 PolarHBondContact O-N 3.27Å; L64-E67 PolarHBondContact O-N 3.18Å; L64-L68 HydrophobicContact CG-CD1 4.41Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 2.7Å; L64-L106 HydrophobicContact CD1-CD2 3.91Å; L64-L106 HydrophobicContact CD2-CD2 3.84Å; L64-L106 HydrophobicContact CD2-CG 4.22Å; L64-L106 HydrophobicContact CG-CD2 4.06Å; L64-T135 HydrophobicContact CD1-CG2 4.01Å; L64-T135 HydrophobicContact CD2-CG2 3.99Å
65G94.7Very high95Very high1 Ų139.8 Ų39.81%0.0122%0.218CC..Hα-helixtrans-59.8-39.117500000112.8G61 Q62 L68 K69 H75G61-G65 PolarHBondContact O-N 2.81Å; Q62-G65 PolarHBondContact O-N 3.09Å; G65-L68 PolarHBondContact O-N 2.65Å; G65-K69 WeakPolarHBondContact O-CB 3.45Å; G65-K69 PolarHBondContact O-N 3.46Å; G65-H75 VanDerWaalsContact CA-NE2 3.31Å; G65-H75 WeakPolarHBondContact CA-NE2 3.49Å; G65-H75 PolarHBondContact O-CE1 2.94Å; G65-H75 PolarHBondContact O-NE2 2.96Å
66N92.7Very high95Very high85 Ų8538 Ų3846%0.45521%0.213SC..Hα-helixtrans-64.3-42.1177.2-67.9-9.3000112.2Q62 G63 L64 K69 A70Q62-N66 PolarHBondContact NE2-OD1 2.89Å; Q62-N66 PolarHBondContact O-N 3.06Å; Q62-N66 PolarHBondContact O-OD1 2.8Å; G63-N66 PolarHBondContact O-N 2.84Å; L64-N66 VanDerWaalsContact C-N 3.29Å; L64-N66 PolarHBondContact O-N 3.27Å; N66-K69 PolarHBondContact O-N 3.12Å; N66-A70 WeakPolarHBondContact O-CB 3.34Å; N66-A70 PolarHBondContact O-N 3Å
67E91.7Very high94.9Very high19 Ų1939 Ų399%0.08922%0.222CC..Hα-helixtrans-65.3-39.7175.6-72.7-69.3155.100112P15 R40 S43 G63 L64 A70 A71P15-E67 WeakPolarHBondContact CD-OE1 3.32Å; R40-E67 IonicContact NE-OE2 3.37Å; R40-E67 PolarHBondContact NE-OE2 3.3Å; R40-E67 IonicContact NH2-OE1 3.72Å; S43-E67 VanDerWaalsContact CB-O 3.31Å; S43-E67 WeakPolarHBondContact CB-O 3.38Å; G63-E67 PolarHBondContact O-N 3.09Å; L64-E67 PolarHBondContact O-N 3.18Å; E67-A70 PolarHBondContact O-N 2.78Å; E67-A71 WeakPolarHBondContact O-CB 3.4Å; E67-A71 PolarHBondContact O-N 3.35Å
68L95.4Very high94.8Very high0 Ų040.8 Ų40.80%023%0.232CC..Hα-helixtrans-62.9-44.8174.6-69.9168.1000111.5L46 V58 L64 G65 A70 A71 N72 V73 H75 L106L46-L68 HydrophobicContact CD1-CD2 3.7Å; V58-L68 HydrophobicContact CG1-CD1 4.45Å; V58-L68 HydrophobicContact CG2-CD1 3.48Å; V58-L68 VanDerWaalsContact CG2-CD1 3.48Å; L64-L68 HydrophobicContact CG-CD1 4.41Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 2.7Å; G65-L68 PolarHBondContact O-N 2.65Å; L68-A70 PolarHBondContact O-N 3.07Å; L68-A71 CarbonylContact O-C 3.52Å; L68-A71 PolarHBondContact O-N 3.26Å; L68-N72 PolarHBondContact O-N 2.86Å; L68-V73 HydrophobicContact CB-CB 4.28Å; L68-V73 HydrophobicContact CD2-CB 4Å; L68-V73 HydrophobicContact CD2-CG1 3.87Å; L68-V73 PolarHBondContact O-N 3.14Å; L68-H75 HydrophobicContact CD1-CB 3.93Å; L68-L106 HydrophobicContact CD1-CD2 4.02Å; L68-L106 HydrophobicContact CD2-CD2 4.19Å
69K95.5Very high94.5Very high158 Ų15841.4 Ų41.469%0.68724%0.238SC*.Hα-helixtrans-59.9-46175.5-172.3175.7-179.6177.40111.4G65 N66 A71 N72G65-K69 WeakPolarHBondContact O-CB 3.45Å; G65-K69 PolarHBondContact O-N 3.46Å; N66-K69 PolarHBondContact O-N 3.12Å; K69-A71 PolarHBondContact O-N 3.44Å; K69-N72 PolarHBondContact O-N 3.09Å; K69-N72 VanDerWaalsContact O-N 3.07Å
70A93Very high94.3Very high81 Ų8145.2 Ų45.267%0.66926%0.262SS*.Hα-helixtrans-62.3-29.8177.800000112.8N66 E67 L68 N72N66-A70 WeakPolarHBondContact O-CB 3.34Å; N66-A70 PolarHBondContact O-N 3Å; E67-A70 PolarHBondContact O-N 2.78Å; L68-A70 PolarHBondContact O-N 3.07Å; A70-N72 VanDerWaalsContact C-N 3.32Å
71A93.7Very high94.2Very high10 Ų1046.7 Ų46.78%0.08327%0.27CS..THydrogen-bonded Turntrans-85.94.2176.100000114.4K47 E67 L68 K69 V73K47-A71 HydrophobicContact CB-CB 4.42Å; K47-A71 HydrophobicContact CD-CB 4.39Å; E67-A71 WeakPolarHBondContact O-CB 3.4Å; E67-A71 PolarHBondContact O-N 3.35Å; L68-A71 CarbonylContact O-C 3.52Å; L68-A71 PolarHBondContact O-N 3.26Å; K69-A71 PolarHBondContact O-N 3.44Å; A71-V73 VanDerWaalsContact C-N 3.32Å; A71-V73 HydrophobicContact CB-CG2 4.1Å; A71-V73 PolarHBondContact O-N 2.9Å
72N95.6Very high93.8Very high130 Ų13051.6 Ų51.670%0.69528%0.281SS*.THydrogen-bonded Turntrans55.246.8-172.3-58.7-45.4000112.3R52 L68 K69 A70R52-N72 PolarHBondContact NH1-O 3.18Å; R52-N72 PolarHBondContact NH2-O 3.32Å; L68-N72 PolarHBondContact O-N 2.86Å; K69-N72 PolarHBondContact O-N 3.09Å; K69-N72 VanDerWaalsContact O-N 3.07Å; A70-N72 VanDerWaalsContact C-N 3.32Å
73V96.9Very high93.1Very high2 Ų248.8 Ų48.81%0.01227%0.269CS..  trans-109.8109171.4-177.80000108.3L46 K47 V56 L68 A71 H75 F103L46-V73 HydrophobicContact CB-CG1 4.27Å; L46-V73 HydrophobicContact CB-CG2 4.37Å; K47-V73 HydrophobicContact CB-CG2 3.96Å; V56-V73 HydrophobicContact CB-CG1 4.45Å; V56-V73 HydrophobicContact CG2-CG1 3.5Å; L68-V73 HydrophobicContact CB-CB 4.28Å; L68-V73 HydrophobicContact CD2-CB 4Å; L68-V73 HydrophobicContact CD2-CG1 3.87Å; L68-V73 PolarHBondContact O-N 3.14Å; A71-V73 VanDerWaalsContact C-N 3.32Å; A71-V73 HydrophobicContact CB-CG2 4.1Å; A71-V73 PolarHBondContact O-N 2.9Å; V73-H75 PolarHBondContact O-ND1 2.87Å; V73-H75 VanDerWaalsContact O-ND1 3.14Å; V73-F103 HydrophobicContact CG1-CZ 4.49Å
74D97.1Very high92.5Very high83 Ų8355.5 Ų55.544%0.44430%0.296SS..  trans-67.4136175.2-170.814.3000110.1R55 V56R55-D74 WeakPolarHBondContact CD-OD2 3.39Å; R55-D74 HydrophobicContact CG-CB 4.41Å; R55-D74 VanDerWaalsContact CG-OD2 3.3Å; R55-D74 WeakPolarHBondContact CG-OD2 3.36Å; R55-D74 IonicContact CZ-OD1 3.85Å; R55-D74 IonicContact CZ-OD2 3.91Å; R55-D74 IonicContact NE-OD1 3.33Å; R55-D74 PolarHBondContact NE-OD1 2.79Å; R55-D74 IonicContact NE-OD2 2.95Å; R55-D74 PolarHBondContact NE-OD2 3.21Å; R55-D74 IonicContact NH2-OD1 3.44Å; R55-D74 PolarHBondContact NH2-OD1 3.15Å; V56-D74 PolarHBondContact N-O 3.06Å
75H97.8Very high91.5Very high36 Ų3662 Ų6217%0.16733%0.331CS..EExtended strand (participates in β ladder)trans-154162.7-170.768.9-83.1000112R55 V56 V58 G65 L68 V73R55-H75 PolarHBondContact NH2-O 3.24Å; R55-H75 VanDerWaalsContact NH2-O 3.07Å; V56-H75 HydrophobicContact CB-CB 4.17Å; V56-H75 CarbonylContact O-C 3.59Å; V56-H75 WeakPolarHBondContact O-CA 3.05Å; V56-H75 WeakPolarHBondContact O-CB 3.44Å; V58-H75 HydrophobicContact CG2-CB 3.81Å; G65-H75 VanDerWaalsContact CA-NE2 3.31Å; G65-H75 WeakPolarHBondContact CA-NE2 3.49Å; G65-H75 PolarHBondContact O-CE1 2.94Å; G65-H75 PolarHBondContact O-NE2 2.96Å; L68-H75 HydrophobicContact CD1-CB 3.93Å; V73-H75 PolarHBondContact O-ND1 2.87Å; V73-H75 VanDerWaalsContact O-ND1 3.14Å
76F98Very high90.1Very high29 Ų2970.4 Ų70.413%0.12737%0.369CS..EExtended strand (participates in β ladder)trans-151.8172.7174.166.6-73.3000110.5R55 V56 Y57 V58 E99 V102 Y124R55-F76 HydrophobicContact CB-CD1 3.94Å; R55-F76 HydrophobicContact CB-CE1 3.95Å; V56-F76 WeakPolarHBondContact O-CD1 3.35Å; V56-F76 PolarHBondContact O-N 3.03Å; Y57-F76 AromaticContact CD2-CD2 3.73Å; Y57-F76 HydrophobicContact CD2-CD2 3.73Å; Y57-F76 HydrophobicContact CD2-CE1 4.34Å; Y57-F76 AromaticContact CD2-CE2 3.3Å; Y57-F76 HydrophobicContact CD2-CE2 3.3Å; Y57-F76 HydrophobicContact CD2-CG 4.41Å; Y57-F76 AromaticContact CD2-CZ 3.64Å; Y57-F76 HydrophobicContact CD2-CZ 3.64Å; Y57-F76 HydrophobicContact CE2-CD2 4.22Å; Y57-F76 AromaticContact CE2-CE2 3.92Å; Y57-F76 HydrophobicContact CE2-CE2 3.92Å; Y57-F76 HydrophobicContact CG-CE2 4.18Å; Y57-F76 HydrophobicContact CG-CZ 4.08Å; V58-F76 PolarHBondContact N-O 3.06Å; F76-E99 HydrophobicContact CD2-CG 4.02Å; F76-E99 HydrophobicContact CE1-CB 4.2Å; F76-E99 HydrophobicContact CE1-CG 4.12Å; F76-E99 HydrophobicContact CE2-CB 4.12Å; F76-E99 HydrophobicContact CE2-CG 3.5Å; F76-E99 HydrophobicContact CZ-CB 3.7Å; F76-E99 HydrophobicContact CZ-CG 3.58Å; F76-V102 HydrophobicContact CE1-CG2 3.81Å; F76-V102 HydrophobicContact CZ-CG2 3.7Å; F76-Y124 HydrophobicContact CE2-CE2 4.23Å; F76-Y124 AromaticContact CZ-CE2 3.92Å; F76-Y124 HydrophobicContact CZ-CE2 3.92Å; F76-Y124 AromaticContact CZ-CZ 3.81Å; F76-Y124 WeakPolarHBondContact CZ-OH 3.27Å
77G96.9Very high88.8Confident19 Ų1971.6 Ų71.620%0.19637%0.374CS..  trans93.4-0.6-179.900000115.3V58 G79 K117V58-G77 CarbonylContact O-C 3.49Å; V58-G77 VanDerWaalsContact O-C 3.25Å; V58-G77 VanDerWaalsContact O-O 3.07Å; G77-G79 PolarHBondContact O-N 3.21Å; G77-K117 WeakPolarHBondContact O-CE 3.46Å; G77-K117 PolarHBondContact O-NZ 2.86Å
78I95.8Very high87.7Confident40 Ų4076.9 Ų76.921%0.20541%0.408CS..  trans-66.1128.9171.2-60.3-64.3000109.7V58V58-I78 HydrophobicContact CB-CD1 3.9Å; V58-I78 HydrophobicContact CG1-CD1 3.54Å
79G92.7Very high86.4Confident12 Ų1278.3 Ų78.312%0.12442%0.415CS..SBendtrans95.6-168.9178.400000114.6G77 K117G77-G79 PolarHBondContact O-N 3.21Å; G79-K117 PolarHBondContact O-NZ 3.32Å
80P93.6Very high85.4Confident80 Ų8075 Ų7552%0.51941%0.405SS..  trans-69.9141.2179.929.5-34.4000112.5Y82 Y112P80-Y82 HydrophobicContact CB-CD2 3.86Å; P80-Y82 HydrophobicContact CB-CE2 3.46Å; P80-Y82 VanDerWaalsContact CB-CE2 3.46Å; P80-Y112 HydrophobicContact CB-CD1 4Å; P80-Y112 HydrophobicContact CB-CE1 4.46Å; P80-Y112 HydrophobicContact CB-CG 4.19Å
81D91.9Very high84.4Confident32 Ų3278.2 Ų78.217%0.17141%0.411CS..  trans-143.170.4171.3-17716.1000107.6C114 K116 K117 K120D81-C114 PolarHBondContact O-SG 3.1Å; D81-K116 WeakPolarHBondContact O-CD 3.17Å; D81-K116 WeakPolarHBondContact OD1-CD 3.36Å; D81-K116 WeakPolarHBondContact OD1-CE 3.41Å; D81-K116 IonicContact OD1-NZ 2.7Å; D81-K116 PolarHBondContact OD1-NZ 2.92Å; D81-K117 HydrophobicContact CB-CD 4.09Å; D81-K117 HydrophobicContact CB-CG 3.79Å; D81-K120 IonicContact OD1-NZ 3.59Å; D81-K120 WeakPolarHBondContact OD2-CE 3.37Å; D81-K120 IonicContact OD2-NZ 2.8Å; D81-K120 PolarHBondContact OD2-NZ 3.11Å
82Y84.1Confident83.1Confident131 Ų13186.4 Ų86.451%0.51445%0.447SS..PPolyproline II helixtrans-82.9164.1-178.2-57.2-53.3000111.2P80 Y112 C114 K116P80-Y82 HydrophobicContact CB-CD2 3.86Å; P80-Y82 HydrophobicContact CB-CE2 3.46Å; P80-Y82 VanDerWaalsContact CB-CE2 3.46Å; Y82-Y112 WeakPolarHBondContact OH-CD1 3.31Å; Y82-C114 HydrophobicContact CD1-CB 4.07Å; Y82-C114 HydrophobicContact CE1-CB 4.24Å; Y82-K116 PolarHBondContact O-NZ 3.28Å
83L77.3Confident81.6Confident58 Ų5883.7 Ų83.730%0.30444%0.439SS..PPolyproline II helixtrans-73.3135.8166.8-65.9160.6000108.3I87 M89 K116L83-I87 VanDerWaalsContact CD1-O 3.3Å; L83-I87 WeakPolarHBondContact CD1-O 3.42Å; L83-M89 HydrophobicContact CD1-CG 3.48Å; L83-M89 VanDerWaalsContact CD1-CG 3.48Å; L83-M89 HydrophobicContact CD1-SD 3.74Å; L83-M89 HydrophobicContact CD2-CG 3.85Å; L83-M89 HydrophobicContact CD2-SD 3.86Å; L83-M89 HydrophobicContact CG-CG 4.3Å; L83-M89 HydrophobicContact CG-SD 4.3Å; L83-K116 HydrophobicContact CD2-CB 4.35Å; L83-K116 HydrophobicContact CD2-CD 4.04Å; L83-K116 HydrophobicContact CD2-CG 4.33Å; L83-K116 HydrophobicContact CG-CB 4.35Å; L83-K116 HydrophobicContact CG-CD 4.41Å
84E75.2Confident80.5Confident159 Ų15986.5 Ų86.574%0.74346%0.455SS*.G310 helixtrans-64.4143.9172.4-65-178.6-177.200109.5H86 I87E84-H86 PolarHBondContact O-N 2.93Å; E84-I87 PolarHBondContact O-N 3.3Å
85N71.8Confident79.5Confident136 Ų13689.3 Ų89.373%0.72747%0.471SS*.G310 helixtrans59.617.9174.5-52.9-41.1000116.2I87N85-I87 HydrophobicContact CB-CD1 4.22Å; N85-I87 HydrophobicContact CB-CG1 4.08Å; N85-I87 PolarHBondContact O-N 3.41Å; N85-I87 VanDerWaalsContact O-N 3.08Å
86H65.8Low78.8Confident178 Ų17888.6 Ų88.682%0.82447%0.468SS*.G310 helixtrans55.524.2-179.3-53.5-71.3000114.4E84 V88E84-H86 PolarHBondContact O-N 2.93Å; H86-V88 PolarHBondContact O-N 3.15Å
87I64.6Low78.4Confident110 Ų11095.1 Ų95.156%0.56450%0.499SS*.PPolyproline II helixtrans-64.5122.4178-61.5172.6000107.8L83 E84 N85 M89L83-I87 VanDerWaalsContact CD1-O 3.3Å; L83-I87 WeakPolarHBondContact CD1-O 3.42Å; E84-I87 PolarHBondContact O-N 3.3Å; N85-I87 HydrophobicContact CB-CD1 4.22Å; N85-I87 HydrophobicContact CB-CG1 4.08Å; N85-I87 PolarHBondContact O-N 3.41Å; N85-I87 VanDerWaalsContact O-N 3.08Å; I87-M89 PolarHBondContact O-N 2.78Å
88V69.1Low78.3Confident130 Ų13098 Ų9879%0.78851%0.51SS*.PPolyproline II helixtrans-66.5128.2171.3-179.10000107.3H86 D90H86-V88 PolarHBondContact O-N 3.15Å; V88-D90 PolarHBondContact O-N 3.43Å; V88-D90 VanDerWaalsContact O-N 3.16Å
89M68.8Low78.2Confident31 Ų31100.6 Ų100.615%0.15352%0.521CS..PPolyproline II helixtrans-63.1117.1174.7-65.9172.875.400108.5L83 I87 V94 V96 Y115 V119L83-M89 HydrophobicContact CD1-CG 3.48Å; L83-M89 VanDerWaalsContact CD1-CG 3.48Å; L83-M89 HydrophobicContact CD1-SD 3.74Å; L83-M89 HydrophobicContact CD2-CG 3.85Å; L83-M89 HydrophobicContact CD2-SD 3.86Å; L83-M89 HydrophobicContact CG-CG 4.3Å; L83-M89 HydrophobicContact CG-SD 4.3Å; I87-M89 PolarHBondContact O-N 2.78Å; M89-V94 HydrophobicContact CB-CG2 4.26Å; M89-V94 HydrophobicContact CE-CB 3.89Å; M89-V94 HydrophobicContact CE-CG1 3.19Å; M89-V94 HydrophobicContact CE-CG2 3.8Å; M89-V96 HydrophobicContact CE-CG1 3.88Å; M89-Y115 HydrophobicContact SD-CD1 3.63Å; M89-Y115 HydrophobicContact SD-CE1 4.1Å; M89-V119 HydrophobicContact CE-CG1 4.48Å; M89-V119 HydrophobicContact CE-CG2 4.11Å
90D73Confident78.3Confident89 Ų89106.3 Ų106.348%0.47655%0.549SS..PPolyproline II helixtrans-85.5141.6166.6167.332.5000108.6V88 Q92 S93 V94V88-D90 PolarHBondContact O-N 3.43Å; V88-D90 VanDerWaalsContact O-N 3.16Å; D90-Q92 PolarHBondContact O-N 3.36Å; D90-S93 PolarHBondContact O-N 3.37Å; D90-S93 PolarHBondContact O-OG 3.36Å; D90-V94 WeakPolarHBondContact O-CG2 3.35Å; D90-V94 PolarHBondContact O-N 3.36Å
91D72.9Confident78.3Confident147 Ų147108.4 Ų108.479%0.78656%0.556SS**THydrogen-bonded Turntrans-56.1-26.2-173.7-71.3-22.4000112.3
92Q66.9Low78.5Confident183 Ų183107.5 Ų107.586%0.85555%0.551SS**THydrogen-bonded Turntrans-88.3-11.5179-57.2-165.93.500114.5D90D90-Q92 PolarHBondContact O-N 3.36Å
93S63.6Low79.2Confident73 Ų73102.4 Ų102.451%0.5153%0.532SS..  trans-130.120.2-170.563.20000114D90 N95D90-S93 PolarHBondContact O-N 3.37Å; D90-S93 PolarHBondContact O-OG 3.36Å; S93-N95 VanDerWaalsContact C-N 3.3Å; S93-N95 PolarHBondContact O-N 2.8Å
94V72.7Confident80.2Confident60 Ų6099.7 Ų99.736%0.36452%0.518SS..  trans-60.890.1173175.20000110.4M89 D90 V96 V119M89-V94 HydrophobicContact CB-CG2 4.26Å; M89-V94 HydrophobicContact CE-CB 3.89Å; M89-V94 HydrophobicContact CE-CG1 3.19Å; M89-V94 HydrophobicContact CE-CG2 3.8Å; D90-V94 WeakPolarHBondContact O-CG2 3.35Å; D90-V94 PolarHBondContact O-N 3.36Å; V94-V96 HydrophobicContact CG1-CG1 4.34Å; V94-V96 HydrophobicContact CG1-CG2 4.38Å; V94-V119 HydrophobicContact CG1-CG1 4Å
95N76Confident81.3Confident143 Ų14392.1 Ų92.177%0.76548%0.482SS*.  trans-101.592.5173.7-167.411.2000109.4S93S93-N95 VanDerWaalsContact C-N 3.3Å; S93-N95 PolarHBondContact O-N 2.8Å
96V85Confident82.6Confident20 Ų2085.6 Ų85.612%0.12145%0.448CS..  trans-111.1124.6170.7-66.10000109.3M89 V94 L98 K116 V119 K120M89-V96 HydrophobicContact CE-CG1 3.88Å; V94-V96 HydrophobicContact CG1-CG1 4.34Å; V94-V96 HydrophobicContact CG1-CG2 4.38Å; V96-L98 HydrophobicContact CG2-CD2 4.19Å; V96-L98 HydrophobicContact CG2-CG 4.47Å; V96-L98 PolarHBondContact O-N 2.92Å; V96-K116 HydrophobicContact CG1-CG 3.95Å; V96-V119 HydrophobicContact CG1-CG1 4.29Å; V96-V119 HydrophobicContact CG2-CG1 3.81Å; V96-K120 HydrophobicContact CB-CG 4.38Å
97E88.3Confident84.1Confident167 Ų16777.1 Ų77.178%0.7841%0.408SS*.PPolyproline II helixtrans-69.1120.9171.8-65.9-179.2172.700109.5K120E97-K120 VanDerWaalsContact O-CE 3.27Å; E97-K120 WeakPolarHBondContact O-CE 3.2Å
98L94.7Very high85.6Confident80 Ų8071.9 Ų71.942%0.41938%0.381SS..PPolyproline II helixtrans-103.7135.5175.2-61.9-179.2000109.3V96 K120 Y124V96-L98 HydrophobicContact CG2-CD2 4.19Å; V96-L98 HydrophobicContact CG2-CG 4.47Å; V96-L98 PolarHBondContact O-N 2.92Å; L98-K120 HydrophobicContact CD2-CB 4.26Å; L98-K120 HydrophobicContact CD2-CG 3.96Å; L98-Y124 HydrophobicContact CB-CE1 3.94Å; L98-Y124 HydrophobicContact CD2-CE1 3.95Å; L98-Y124 HydrophobicContact CD2-CE2 4.4Å; L98-Y124 HydrophobicContact CG-CE1 4.43Å
99E95.2Very high86.7Confident93 Ų9367.7 Ų67.744%0.43535%0.352SS..PPolyproline II helixtrans-73.6145.9171.4-67.9-74.5178.700110R55 F76 V102 Y124R55-E99 IonicContact NH1-OE1 3.79Å; F76-E99 HydrophobicContact CD2-CG 4.02Å; F76-E99 HydrophobicContact CE1-CB 4.2Å; F76-E99 HydrophobicContact CE1-CG 4.12Å; F76-E99 HydrophobicContact CE2-CB 4.12Å; F76-E99 HydrophobicContact CE2-CG 3.5Å; F76-E99 HydrophobicContact CZ-CB 3.7Å; F76-E99 HydrophobicContact CZ-CG 3.58Å; E99-V102 HydrophobicContact CB-CG2 3.96Å; E99-Y124 PolarHBondContact N-OH 2.86Å; E99-Y124 WeakPolarHBondContact O-CE1 3.49Å
100N93.2Very high88Confident132 Ų13266.3 Ų66.371%0.70635%0.346SS*.SBendtrans-76.7162.8168.4-64.4-51.7000110.3V102N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 3.46Å
101D93.6Very high88.9Confident125 Ų12571.1 Ų71.167%0.66836%0.357SS*.  trans56.339171.9-52.3-40.9000114.9G54 R55 F103G54-D101 CarbonylContact C-O 3.49Å; G54-D101 WeakPolarHBondContact CA-O 3.45Å; R55-D101 PolarHBondContact N-O 3.03Å; D101-F103 PolarHBondContact O-N 2.69Å
102V97.5Very high89.9Confident13 Ų1369.1 Ų69.18%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-82.6112.3171-178.20000109.9R55 F76 E99 N100 Y124R55-V102 WeakPolarHBondContact O-CA 3.44Å; F76-V102 HydrophobicContact CE1-CG2 3.81Å; F76-V102 HydrophobicContact CZ-CG2 3.7Å; E99-V102 HydrophobicContact CB-CG2 3.96Å; N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 3.46Å; V102-Y124 HydrophobicContact CB-CD1 3.78Å; V102-Y124 HydrophobicContact CB-CE1 4.09Å; V102-Y124 HydrophobicContact CB-CG 4.14Å; V102-Y124 HydrophobicContact CG1-CD1 4.12Å; V102-Y124 HydrophobicContact CG1-CD2 4.21Å; V102-Y124 HydrophobicContact CG1-CG 3.94Å; V102-Y124 HydrophobicContact CG2-CD1 3.74Å; V102-Y124 HydrophobicContact CG2-CE1 3.48Å; V102-Y124 VanDerWaalsContact CG2-CE1 3.48Å; V102-Y124 HydrophobicContact CG2-CE2 4.38Å; V102-Y124 HydrophobicContact CG2-CG 4.31Å
103F97.5Very high91.3Very high24 Ų2463.2 Ų63.211%0.10531%0.313CS..EExtended strand (participates in β ladder)trans-94.5-15.9-178.676.7-89.7000113.8L46 L49 R52 T53 G54 R55 V56 V73 D101 C130 R131L46-F103 HydrophobicContact CD2-CE2 4.18Å; L49-F103 HydrophobicContact CD1-CD2 4.46Å; L49-F103 HydrophobicContact CD1-CE2 4.06Å; R52-F103 HydrophobicContact CB-CD2 4.15Å; R52-F103 HydrophobicContact CB-CE1 4.48Å; R52-F103 HydrophobicContact CB-CE2 3.95Å; R52-F103 HydrophobicContact CB-CZ 4.12Å; T53-F103 WeakPolarHBondContact O-CB 3.26Å; T53-F103 WeakPolarHBondContact O-CD1 3.37Å; G54-F103 WeakPolarHBondContact O-CE1 3.49Å; R55-F103 WeakPolarHBondContact O-CD1 3.35Å; R55-F103 PolarHBondContact O-N 3.03Å; R55-F103 VanDerWaalsContact O-N 3.1Å; V56-F103 HydrophobicContact CG2-CD1 4.46Å; V56-F103 HydrophobicContact CG2-CE1 3.53Å; V56-F103 HydrophobicContact CG2-CE2 4.04Å; V56-F103 HydrophobicContact CG2-CZ 3.27Å; V73-F103 HydrophobicContact CG1-CZ 4.49Å; D101-F103 PolarHBondContact O-N 2.69Å; F103-C130 WeakPolarHBondContact O-CA 3.35Å; F103-R131 PolarHBondContact O-N 2.68Å
104A98.4Very high92.7Very high0 Ų060.9 Ų60.90%030%0.297CS..EExtended strand (participates in β ladder)trans-150.7145.2178.100000112.8L46 V56 Y57 R131L46-A104 HydrophobicContact CD2-CB 3.79Å; V56-A104 WeakPolarHBondContact CA-O 3.43Å; V56-A104 HydrophobicContact CG1-CB 4.23Å; V56-A104 HydrophobicContact CG2-CB 4.3Å; Y57-A104 PolarHBondContact N-O 2.87Å; A104-R131 CarbonylContact C-O 3.53Å; A104-R131 VanDerWaalsContact CA-O 3.24Å; A104-R131 WeakPolarHBondContact CA-O 3.38Å; A104-R131 HydrophobicContact CB-CB 3.99Å
105V98.6Very high93.6Very high0 Ų065.1 Ų65.10%031%0.307CS..EExtended strand (participates in β ladder)trans-104.3118.8161.5177.20000108.1Y57 V107 A121 Y124 L125 R131 V133Y57-V105 HydrophobicContact CD1-CG1 4.37Å; Y57-V105 HydrophobicContact CD1-CG2 4.39Å; Y57-V105 CarbonylContact O-C 3.45Å; Y57-V105 WeakPolarHBondContact O-CA 3.05Å; V105-V107 HydrophobicContact CG1-CG2 4.07Å; V105-A121 HydrophobicContact CG1-CB 3.94Å; V105-Y124 HydrophobicContact CG2-CD2 4.36Å; V105-L125 HydrophobicContact CB-CD1 4.41Å; V105-L125 HydrophobicContact CB-CD2 4.03Å; V105-L125 HydrophobicContact CB-CG 4.14Å; V105-L125 HydrophobicContact CG2-CD2 4Å; V105-L125 HydrophobicContact CG2-CG 3.86Å; V105-R131 PolarHBondContact N-O 3.44Å; V105-V133 PolarHBondContact O-N 3.15Å
106L98.4Very high94.4Very high0 Ų060 Ų600%028%0.278CS..EExtended strand (participates in β ladder)trans-107.2120.3176.3178.564.9000110.1A42 L46 V56 Y57 V58 L59 L64 L68 V133 T135A42-L106 HydrophobicContact CB-CD1 4.03Å; A42-L106 HydrophobicContact CB-CD2 4.18Å; L46-L106 HydrophobicContact CD1-CB 4.34Å; L46-L106 HydrophobicContact CD1-CD1 4.39Å; L46-L106 HydrophobicContact CD1-CD2 3.75Å; L46-L106 HydrophobicContact CD1-CG 4.39Å; V56-L106 HydrophobicContact CG1-CB 3.73Å; Y57-L106 PolarHBondContact O-N 2.81Å; V58-L106 WeakPolarHBondContact CA-O 3.44Å; V58-L106 HydrophobicContact CG1-CD2 4.47Å; V58-L106 HydrophobicContact CG2-CB 4.49Å; L59-L106 PolarHBondContact N-O 2.84Å; L64-L106 HydrophobicContact CD1-CD2 3.91Å; L64-L106 HydrophobicContact CD2-CD2 3.84Å; L64-L106 HydrophobicContact CD2-CG 4.22Å; L64-L106 HydrophobicContact CG-CD2 4.06Å; L68-L106 HydrophobicContact CD1-CD2 4.02Å; L68-L106 HydrophobicContact CD2-CD2 4.19Å; L106-V133 CarbonylContact C-O 3.57Å; L106-V133 WeakPolarHBondContact CA-O 3.35Å; L106-V133 HydrophobicContact CD1-CB 3.87Å; L106-V133 HydrophobicContact CD1-CG1 3.68Å; L106-T135 HydrophobicContact CD1-CG2 4.14Å
107V98.2Very high95Very high0 Ų059 Ų590%027%0.272CS..EExtended strand (participates in β ladder)trans-108.3119.1179.2-173.40000110.1L59 V105 F132 V133 A134 T135 I156 V157L59-V107 HydrophobicContact CB-CG1 4.33Å; L59-V107 HydrophobicContact CB-CG2 4.42Å; L59-V107 HydrophobicContact CD1-CG1 4.43Å; L59-V107 HydrophobicContact CD1-CG2 3.97Å; L59-V107 HydrophobicContact CG-CG2 4.4Å; V105-V107 HydrophobicContact CG1-CG2 4.07Å; V107-F132 HydrophobicContact CG2-CD2 4.49Å; V107-F132 HydrophobicContact CG2-CE2 3.7Å; V107-V133 PolarHBondContact N-O 3.48Å; V107-A134 CarbonylContact O-C 3.25Å; V107-A134 VanDerWaalsContact O-CA 3.25Å; V107-A134 WeakPolarHBondContact O-CA 3.46Å; V107-T135 PolarHBondContact O-N 2.88Å; V107-I156 HydrophobicContact CG1-CB 4.06Å; V107-I156 HydrophobicContact CG1-CG2 3.65Å; V107-V157 HydrophobicContact CB-CG2 3.93Å; V107-V157 HydrophobicContact CG1-CB 4.46Å; V107-V157 HydrophobicContact CG1-CG2 3.58Å
108G95.5Very high95.4Very high0 Ų053.3 Ų53.30%025%0.246CC..  trans-125.8-157.1169.300000111.1L59 D110 T135L59-G108 CarbonylContact O-C 3.59Å; L59-G108 PolarHBondContact O-N 2.97Å; G108-D110 PolarHBondContact O-N 3.21Å; G108-T135 VanDerWaalsContact CA-OG1 3.28Å; G108-T135 WeakPolarHBondContact CA-OG1 3.38Å
109F93.1Very high95.4Very high41 Ų4150.7 Ų50.718%0.1823%0.233CC..  trans-77.9113.9175.7-176.3-121.4000110.6G61 R111 P151 A153G61-F109 PolarHBondContact N-O 2.98Å; F109-R111 HydrophobicContact CE1-CG 3.76Å; F109-R111 HydrophobicContact CZ-CG 3.88Å; F109-P151 WeakPolarHBondContact CE2-O 3.06Å; F109-A153 HydrophobicContact CB-CB 4.41Å
110D94.8Very high95.5Very high3 Ų347.4 Ų47.42%0.01622%0.217CC..  trans-122.9108.5-177.6-167.7-6.6000111.4G60 G108 Y112 I113 K117 I156G60-D110 PolarHBondContact N-OD2 3.38Å; G108-D110 PolarHBondContact O-N 3.21Å; D110-Y112 PolarHBondContact O-N 2.8Å; D110-Y112 WeakPolarHBondContact OD1-CA 3.34Å; D110-Y112 PolarHBondContact OD1-N 2.9Å; D110-I113 HydrophobicContact CB-CB 4.38Å; D110-I113 PolarHBondContact O-N 2.78Å; D110-K117 IonicContact OD1-NZ 3.78Å; D110-K117 VanDerWaalsContact OD2-CE 3.31Å; D110-K117 WeakPolarHBondContact OD2-CE 3.22Å; D110-K117 IonicContact OD2-NZ 2.73Å; D110-K117 PolarHBondContact OD2-NZ 3.47Å; D110-I156 HydrophobicContact CB-CD1 3.93Å
111R92.7Very high95.7Very high189 Ų18941.1 Ų41.171%0.71318%0.184SC*.THydrogen-bonded Turntrans-74.2-13.9176.5-67.1-176.5-177.6-116.2-0.7113.1F109F109-R111 HydrophobicContact CE1-CG 3.76Å; F109-R111 HydrophobicContact CZ-CG 3.88Å
112Y94.8Very high95.9Very high106 Ų10636.7 Ų36.742%0.41616%0.161SC..THydrogen-bonded Turntrans-104.617.4180-58.8-65.5000112.2P80 Y82 D110 C114 K117P80-Y112 HydrophobicContact CB-CD1 4Å; P80-Y112 HydrophobicContact CB-CE1 4.46Å; P80-Y112 HydrophobicContact CB-CG 4.19Å; Y82-Y112 WeakPolarHBondContact OH-CD1 3.31Å; D110-Y112 PolarHBondContact O-N 2.8Å; D110-Y112 WeakPolarHBondContact OD1-CA 3.34Å; D110-Y112 PolarHBondContact OD1-N 2.9Å; Y112-C114 PolarHBondContact O-N 3.21Å; Y112-K117 WeakPolarHBondContact O-CD 3.42Å
113I95.6Very high95.9Very high59 Ų5937.8 Ų37.830%0.30317%0.17SC..  trans-57130.2177.3-169.362000109.9L59 D110 K117 M118 I156L59-I113 HydrophobicContact CD1-CD1 4.06Å; L59-I113 HydrophobicContact CD2-CD1 4.34Å; D110-I113 HydrophobicContact CB-CB 4.38Å; D110-I113 PolarHBondContact O-N 2.78Å; I113-K117 HydrophobicContact CD1-CB 4.29Å; I113-M118 HydrophobicContact CD1-CG 3.93Å; I113-M118 HydrophobicContact CG1-CG 4.36Å; I113-I156 HydrophobicContact CB-CD1 4.15Å; I113-I156 HydrophobicContact CD1-CG2 3.85Å; I113-I156 HydrophobicContact CG1-CD1 4.38Å; I113-I156 HydrophobicContact CG1-CG1 4.35Å; I113-I156 HydrophobicContact CG1-CG2 4.06Å; I113-I156 HydrophobicContact CG2-CD1 4.21Å; I113-I156 HydrophobicContact CG2-CG1 4.45Å
114C93.5Very high95.9Very high24 Ų2437.5 Ų37.516%0.16217%0.168CC..  trans-146167.4178.7750000109.1D81 Y82 Y112 K116 K117 M118D81-C114 PolarHBondContact O-SG 3.1Å; Y82-C114 HydrophobicContact CD1-CB 4.07Å; Y82-C114 HydrophobicContact CE1-CB 4.24Å; Y112-C114 PolarHBondContact O-N 3.21Å; C114-K116 VanDerWaalsContact C-N 3.32Å; C114-K116 PolarHBondContact O-N 3.23Å; C114-K117 PolarHBondContact O-N 2.94Å; C114-K117 VanDerWaalsContact O-N 3.15Å; C114-K117 PolarHBondContact SG-N 3.03Å; C114-M118 PolarHBondContact O-N 3.32Å; C114-M118 VanDerWaalsContact O-N 3.11Å
115Y91.6Very high95.9Very high148 Ų14837.8 Ų37.858%0.5817%0.17SC*.Hα-helixtrans-58.8-41.3-178.6-168.5-107.3000112.5M89 K117 M118 V119M89-Y115 HydrophobicContact SD-CD1 3.63Å; M89-Y115 HydrophobicContact SD-CE1 4.1Å; Y115-K117 VanDerWaalsContact C-N 3.31Å; Y115-K117 PolarHBondContact O-N 3.2Å; Y115-M118 WeakPolarHBondContact O-CA 3.43Å; Y115-M118 WeakPolarHBondContact O-CB 3.36Å; Y115-M118 PolarHBondContact O-N 3.38Å; Y115-V119 HydrophobicContact CD1-CG2 3.82Å; Y115-V119 HydrophobicContact CE1-CG2 3.56Å; Y115-V119 HydrophobicContact CG-CG2 4.45Å; Y115-V119 WeakPolarHBondContact O-CG2 3.3Å; Y115-V119 PolarHBondContact O-N 2.87Å
116K92.9Very high95.8Very high36 Ų3648 Ų4816%0.15721%0.208CC..Hα-helixtrans-54.9-44.5175.8-174.1-176.7-176.6-167.30112.3D81 Y82 L83 V96 C114 V119 K120D81-K116 WeakPolarHBondContact O-CD 3.17Å; D81-K116 WeakPolarHBondContact OD1-CD 3.36Å; D81-K116 WeakPolarHBondContact OD1-CE 3.41Å; D81-K116 IonicContact OD1-NZ 2.7Å; D81-K116 PolarHBondContact OD1-NZ 2.92Å; Y82-K116 PolarHBondContact O-NZ 3.28Å; L83-K116 HydrophobicContact CD2-CB 4.35Å; L83-K116 HydrophobicContact CD2-CD 4.04Å; L83-K116 HydrophobicContact CD2-CG 4.33Å; L83-K116 HydrophobicContact CG-CB 4.35Å; L83-K116 HydrophobicContact CG-CD 4.41Å; V96-K116 HydrophobicContact CG1-CG 3.95Å; C114-K116 VanDerWaalsContact C-N 3.32Å; C114-K116 PolarHBondContact O-N 3.23Å; K116-V119 PolarHBondContact O-N 3.46Å; K116-K120 WeakPolarHBondContact O-CG 3.31Å; K116-K120 PolarHBondContact O-N 3.09Å
117K96.5Very high95.7Very high0 Ų051.9 Ų51.90%023%0.229CC..Hα-helixtrans-66.1-38.6177.1-68-174.882.11680112.3Y57 L59 G77 G79 D81 D110 Y112 I113 C114 Y115 K120 A121Y57-K117 VanDerWaalsContact OH-CA 3.27Å; Y57-K117 WeakPolarHBondContact OH-CA 3.49Å; Y57-K117 WeakPolarHBondContact OH-CB 3.39Å; Y57-K117 PolarHBondContact OH-O 3.05Å; L59-K117 HydrophobicContact CD2-CB 3.78Å; G77-K117 WeakPolarHBondContact O-CE 3.46Å; G77-K117 PolarHBondContact O-NZ 2.86Å; G79-K117 PolarHBondContact O-NZ 3.32Å; D81-K117 HydrophobicContact CB-CD 4.09Å; D81-K117 HydrophobicContact CB-CG 3.79Å; D110-K117 IonicContact OD1-NZ 3.78Å; D110-K117 VanDerWaalsContact OD2-CE 3.31Å; D110-K117 WeakPolarHBondContact OD2-CE 3.22Å; D110-K117 IonicContact OD2-NZ 2.73Å; D110-K117 PolarHBondContact OD2-NZ 3.47Å; Y112-K117 WeakPolarHBondContact O-CD 3.42Å; I113-K117 HydrophobicContact CD1-CB 4.29Å; C114-K117 PolarHBondContact O-N 2.94Å; C114-K117 VanDerWaalsContact O-N 3.15Å; C114-K117 PolarHBondContact SG-N 3.03Å; Y115-K117 VanDerWaalsContact C-N 3.31Å; Y115-K117 PolarHBondContact O-N 3.2Å; K117-K120 PolarHBondContact O-N 3.38Å; K117-A121 WeakPolarHBondContact O-CB 3.23Å; K117-A121 PolarHBondContact O-N 3.14Å
118M96.4Very high95.5Very high47 Ų4759.9 Ų59.923%0.23227%0.266CS..Hα-helixtrans-64.5-43.8174.5-64178.761.200111.8I113 C114 Y115 K120 A121 V122 A159 I160I113-M118 HydrophobicContact CD1-CG 3.93Å; I113-M118 HydrophobicContact CG1-CG 4.36Å; C114-M118 PolarHBondContact O-N 3.32Å; C114-M118 VanDerWaalsContact O-N 3.11Å; Y115-M118 WeakPolarHBondContact O-CA 3.43Å; Y115-M118 WeakPolarHBondContact O-CB 3.36Å; Y115-M118 PolarHBondContact O-N 3.38Å; M118-K120 VanDerWaalsContact C-N 3.32Å; M118-K120 PolarHBondContact O-N 2.99Å; M118-A121 PolarHBondContact O-N 3.48Å; M118-V122 WeakPolarHBondContact O-CB 3.45Å; M118-V122 WeakPolarHBondContact O-CG2 3.41Å; M118-V122 PolarHBondContact O-N 2.86Å; M118-A159 HydrophobicContact CE-CB 3.59Å; M118-I160 HydrophobicContact CB-CD1 3.85Å; M118-I160 HydrophobicContact CE-CD1 4.32Å; M118-I160 HydrophobicContact CG-CD1 3.81Å
119V94.7Very high95.4Very high24 Ų2466 Ų6615%0.14530%0.299CS..Hα-helixtrans-58.4-45175.8174.40000110.7M89 V94 V96 Y115 K116 S123M89-V119 HydrophobicContact CE-CG1 4.48Å; M89-V119 HydrophobicContact CE-CG2 4.11Å; V94-V119 HydrophobicContact CG1-CG1 4Å; V96-V119 HydrophobicContact CG1-CG1 4.29Å; V96-V119 HydrophobicContact CG2-CG1 3.81Å; Y115-V119 HydrophobicContact CD1-CG2 3.82Å; Y115-V119 HydrophobicContact CE1-CG2 3.56Å; Y115-V119 HydrophobicContact CG-CG2 4.45Å; Y115-V119 WeakPolarHBondContact O-CG2 3.3Å; Y115-V119 PolarHBondContact O-N 2.87Å; K116-V119 PolarHBondContact O-N 3.46Å; V119-S123 WeakPolarHBondContact O-CB 3.18Å; V119-S123 PolarHBondContact O-N 3.06Å; V119-S123 PolarHBondContact O-OG 2.98Å
120K97.1Very high95.6Very high24 Ų2464.1 Ų64.110%0.10429%0.291CS..Hα-helixtrans-60.3-50.6175.2-72.3-177.2173.6-178.30111.6Y57 D81 V96 E97 L98 K116 K117 M118 V122 S123 Y124Y57-K120 HydrophobicContact CE1-CB 3.79Å; Y57-K120 HydrophobicContact CE2-CB 4.45Å; Y57-K120 HydrophobicContact CE2-CD 4.37Å; D81-K120 IonicContact OD1-NZ 3.59Å; D81-K120 WeakPolarHBondContact OD2-CE 3.37Å; D81-K120 IonicContact OD2-NZ 2.8Å; D81-K120 PolarHBondContact OD2-NZ 3.11Å; V96-K120 HydrophobicContact CB-CG 4.38Å; E97-K120 VanDerWaalsContact O-CE 3.27Å; E97-K120 WeakPolarHBondContact O-CE 3.2Å; L98-K120 HydrophobicContact CD2-CB 4.26Å; L98-K120 HydrophobicContact CD2-CG 3.96Å; K116-K120 WeakPolarHBondContact O-CG 3.31Å; K116-K120 PolarHBondContact O-N 3.09Å; K117-K120 PolarHBondContact O-N 3.38Å; M118-K120 VanDerWaalsContact C-N 3.32Å; M118-K120 PolarHBondContact O-N 2.99Å; K120-V122 PolarHBondContact O-N 3.48Å; K120-S123 PolarHBondContact O-N 2.7Å; K120-Y124 HydrophobicContact CB-CE2 4.03Å; K120-Y124 WeakPolarHBondContact O-CD2 3.49Å; K120-Y124 PolarHBondContact O-N 3.48Å
121A98.4Very high95.8Very high0 Ų069.8 Ų69.80%031%0.312CS..Hα-helixtrans-57.8-49.7179.300000112.4Y57 L59 V105 K117 M118 S123 Y124 L125 I160Y57-A121 HydrophobicContact CD1-CB 4.14Å; Y57-A121 HydrophobicContact CE1-CB 3.86Å; L59-A121 HydrophobicContact CD1-CB 3.95Å; L59-A121 HydrophobicContact CG-CB 4.49Å; V105-A121 HydrophobicContact CG1-CB 3.94Å; K117-A121 WeakPolarHBondContact O-CB 3.23Å; K117-A121 PolarHBondContact O-N 3.14Å; M118-A121 PolarHBondContact O-N 3.48Å; A121-S123 VanDerWaalsContact C-N 3.33Å; A121-S123 PolarHBondContact O-N 3.47Å; A121-Y124 PolarHBondContact O-N 2.82Å; A121-L125 WeakPolarHBondContact O-CB 3.36Å; A121-L125 VanDerWaalsContact O-CG 3.29Å; A121-L125 WeakPolarHBondContact O-CG 3.3Å; A121-L125 PolarHBondContact O-N 3.42Å; A121-I160 HydrophobicContact CB-CD1 3.87Å; A121-I160 HydrophobicContact CB-CG1 4.45Å; A121-I160 HydrophobicContact CB-CG2 4.3Å
122V97.7Very high96Very high32 Ų3261 Ų6119%0.19428%0.279CS..Hα-helixtrans-64.2-40.6179.1175.40000110.6M118 K120 L125 R126 I160 A163M118-V122 WeakPolarHBondContact O-CB 3.45Å; M118-V122 WeakPolarHBondContact O-CG2 3.41Å; M118-V122 PolarHBondContact O-N 2.86Å; K120-V122 PolarHBondContact O-N 3.48Å; V122-L125 PolarHBondContact O-N 3.34Å; V122-R126 PolarHBondContact O-N 2.99Å; V122-I160 HydrophobicContact CG2-CD1 4.35Å; V122-A163 HydrophobicContact CG1-CB 4.47Å; V122-A163 HydrophobicContact CG2-CB 3.62Å
123S97Very high96.2Very high37 Ų3755.9 Ų55.926%0.25926%0.259SS..Hα-helixtrans-60.8-46.1176.6-63.70000112.5V119 K120 A121 L125 R126V119-S123 WeakPolarHBondContact O-CB 3.18Å; V119-S123 PolarHBondContact O-N 3.06Å; V119-S123 PolarHBondContact O-OG 2.98Å; K120-S123 PolarHBondContact O-N 2.7Å; A121-S123 VanDerWaalsContact C-N 3.33Å; A121-S123 PolarHBondContact O-N 3.47Å; S123-L125 VanDerWaalsContact C-N 3.29Å; S123-L125 PolarHBondContact O-N 3.03Å; S123-R126 WeakPolarHBondContact O-CB 3.16Å; S123-R126 PolarHBondContact O-N 2.87Å
124Y98.2Very high96.3Very high18 Ų1853.1 Ų53.17%0.07124%0.244CC..Hα-helixtrans-63.1-36.5175.4-65.3-50.3000112.3Y57 F76 L98 E99 V102 V105 K120 A121 R126 N127 C130Y57-Y124 AromaticContact CD1-CD2 3.64Å; Y57-Y124 HydrophobicContact CD1-CD2 3.64Å; Y57-Y124 AromaticContact CD1-CE2 3.77Å; Y57-Y124 HydrophobicContact CD1-CE2 3.77Å; Y57-Y124 AromaticContact CD2-CE2 3.92Å; Y57-Y124 HydrophobicContact CD2-CE2 3.92Å; Y57-Y124 HydrophobicContact CE1-CD2 4.39Å; Y57-Y124 HydrophobicContact CE1-CE2 4.31Å; Y57-Y124 HydrophobicContact CE2-CE2 4.45Å; Y57-Y124 AromaticContact CG-CD2 3.73Å; Y57-Y124 HydrophobicContact CG-CD2 3.73Å; Y57-Y124 AromaticContact CG-CE2 3.54Å; Y57-Y124 HydrophobicContact CG-CE2 3.54Å; F76-Y124 HydrophobicContact CE2-CE2 4.23Å; F76-Y124 AromaticContact CZ-CE2 3.92Å; F76-Y124 HydrophobicContact CZ-CE2 3.92Å; F76-Y124 AromaticContact CZ-CZ 3.81Å; F76-Y124 WeakPolarHBondContact CZ-OH 3.27Å; L98-Y124 HydrophobicContact CB-CE1 3.94Å; L98-Y124 HydrophobicContact CD2-CE1 3.95Å; L98-Y124 HydrophobicContact CD2-CE2 4.4Å; L98-Y124 HydrophobicContact CG-CE1 4.43Å; E99-Y124 PolarHBondContact N-OH 2.86Å; E99-Y124 WeakPolarHBondContact O-CE1 3.49Å; V102-Y124 HydrophobicContact CB-CD1 3.78Å; V102-Y124 HydrophobicContact CB-CE1 4.09Å; V102-Y124 HydrophobicContact CB-CG 4.14Å; V102-Y124 HydrophobicContact CG1-CD1 4.12Å; V102-Y124 HydrophobicContact CG1-CD2 4.21Å; V102-Y124 HydrophobicContact CG1-CG 3.94Å; V102-Y124 HydrophobicContact CG2-CD1 3.74Å; V102-Y124 HydrophobicContact CG2-CE1 3.48Å; V102-Y124 VanDerWaalsContact CG2-CE1 3.48Å; V102-Y124 HydrophobicContact CG2-CE2 4.38Å; V102-Y124 HydrophobicContact CG2-CG 4.31Å; V105-Y124 HydrophobicContact CG2-CD2 4.36Å; K120-Y124 HydrophobicContact CB-CE2 4.03Å; K120-Y124 WeakPolarHBondContact O-CD2 3.49Å; K120-Y124 PolarHBondContact O-N 3.48Å; A121-Y124 PolarHBondContact O-N 2.82Å; Y124-R126 PolarHBondContact O-N 3.12Å; Y124-N127 PolarHBondContact O-N 3.38Å; Y124-C130 VanDerWaalsContact O-CB 3.32Å; Y124-C130 WeakPolarHBondContact O-CB 3.25Å
125L98.2Very high96.5Very high6 Ų652 Ų523%0.03124%0.237CC..Hα-helixtrans-73.3-7.9179.2-71.2175.8000114.4V105 A121 V122 S123 N127 F132 I160V105-L125 HydrophobicContact CB-CD1 4.41Å; V105-L125 HydrophobicContact CB-CD2 4.03Å; V105-L125 HydrophobicContact CB-CG 4.14Å; V105-L125 HydrophobicContact CG2-CD2 4Å; V105-L125 HydrophobicContact CG2-CG 3.86Å; A121-L125 WeakPolarHBondContact O-CB 3.36Å; A121-L125 VanDerWaalsContact O-CG 3.29Å; A121-L125 WeakPolarHBondContact O-CG 3.3Å; A121-L125 PolarHBondContact O-N 3.42Å; V122-L125 PolarHBondContact O-N 3.34Å; S123-L125 VanDerWaalsContact C-N 3.29Å; S123-L125 PolarHBondContact O-N 3.03Å; L125-N127 PolarHBondContact O-N 3.41Å; L125-F132 HydrophobicContact CD1-CB 4.37Å; L125-F132 HydrophobicContact CD1-CD1 4.17Å; L125-F132 HydrophobicContact CD1-CD2 3.91Å; L125-F132 HydrophobicContact CD1-CE1 4.49Å; L125-F132 HydrophobicContact CD1-CE2 4.25Å; L125-F132 HydrophobicContact CD1-CG 3.89Å; L125-F132 HydrophobicContact CD2-CB 3.64Å; L125-F132 HydrophobicContact CD2-CD2 4.42Å; L125-F132 HydrophobicContact CD2-CG 4.09Å; L125-I160 HydrophobicContact CD1-CG2 3.6Å
126R96.7Very high96.6Very high214 Ų21445 Ų4581%0.80821%0.209SC*.THydrogen-bonded Turntrans-65.4-26.1167.8-64.4-177.364.9150.60.8112.2V122 S123 Y124 E128V122-R126 PolarHBondContact O-N 2.99Å; S123-R126 WeakPolarHBondContact O-CB 3.16Å; S123-R126 PolarHBondContact O-N 2.87Å; Y124-R126 PolarHBondContact O-N 3.12Å; R126-E128 PolarHBondContact O-N 3.36Å
127N95.4Very high96.7Very high82 Ų8246.2 Ų46.244%0.43922%0.218SC..SBendtrans-76.5115.1169-178.2-8.3000108.9Y124 L125 N129 C130Y124-N127 PolarHBondContact O-N 3.38Å; L125-N127 PolarHBondContact O-N 3.41Å; N127-N129 PolarHBondContact O-N 2.98Å; N127-N129 VanDerWaalsContact O-N 3.16Å; N127-N129 WeakPolarHBondContact OD1-CB 3.36Å; N127-N129 PolarHBondContact OD1-N 2.66Å; N127-C130 HydrophobicContact CB-CB 4.16Å; N127-C130 VanDerWaalsContact O-CB 3.26Å; N127-C130 WeakPolarHBondContact O-CB 3.46Å; N127-C130 PolarHBondContact O-N 2.91Å
128E94.8Very high96.5Very high167 Ų16747.3 Ų47.378%0.7822%0.224SC*.THydrogen-bonded Turntrans-59.8-26.9-179.5-62.9-175.3169.100113.2R126 C130R126-E128 PolarHBondContact O-N 3.36Å; E128-C130 VanDerWaalsContact C-N 3.29Å; E128-C130 PolarHBondContact O-N 2.87Å
129N94.4Very high96.1Very high130 Ų13048.1 Ų48.170%0.69524%0.238SC*.THydrogen-bonded Turntrans-77.2-16.1177-62.5-51.3000112.8N127 R131N127-N129 PolarHBondContact O-N 2.98Å; N127-N129 VanDerWaalsContact O-N 3.16Å; N127-N129 WeakPolarHBondContact OD1-CB 3.36Å; N127-N129 PolarHBondContact OD1-N 2.66Å; N129-R131 PolarHBondContact O-N 2.88Å
130C96.9Very high95.7Very high0 Ų052.6 Ų52.60%026%0.255CS..SBendtrans-73.9121175.3-171.90000110.3F103 Y124 N127 E128 R166F103-C130 WeakPolarHBondContact O-CA 3.35Å; Y124-C130 VanDerWaalsContact O-CB 3.32Å; Y124-C130 WeakPolarHBondContact O-CB 3.25Å; N127-C130 HydrophobicContact CB-CB 4.16Å; N127-C130 VanDerWaalsContact O-CB 3.26Å; N127-C130 WeakPolarHBondContact O-CB 3.46Å; N127-C130 PolarHBondContact O-N 2.91Å; E128-C130 VanDerWaalsContact C-N 3.29Å; E128-C130 PolarHBondContact O-N 2.87Å; C130-R166 PolarHBondContact O-NH1 3.04Å
131R97.4Very high94.8Very high123 Ų12354 Ų5446%0.46426%0.262SS..EExtended strand (participates in β ladder)trans-75.1134.1-179-60.7-58.1-173.6-171.1-1.3110.6L49 F103 A104 V105 N129 V133L49-R131 HydrophobicContact CD1-CG 4.17Å; F103-R131 PolarHBondContact O-N 2.68Å; A104-R131 CarbonylContact C-O 3.53Å; A104-R131 VanDerWaalsContact CA-O 3.24Å; A104-R131 WeakPolarHBondContact CA-O 3.38Å; A104-R131 HydrophobicContact CB-CB 3.99Å; V105-R131 PolarHBondContact N-O 3.44Å; N129-R131 PolarHBondContact O-N 2.88Å; R131-V133 HydrophobicContact CB-CG2 4.23Å
132F98.4Very high93.5Very high3 Ų357.8 Ų57.81%0.01329%0.287CS..EExtended strand (participates in β ladder)trans-101.8115.5172.1-172.3-161.6000109.2V107 L125 I160 R166 P168 I169V107-F132 HydrophobicContact CG2-CD2 4.49Å; V107-F132 HydrophobicContact CG2-CE2 3.7Å; L125-F132 HydrophobicContact CD1-CB 4.37Å; L125-F132 HydrophobicContact CD1-CD1 4.17Å; L125-F132 HydrophobicContact CD1-CD2 3.91Å; L125-F132 HydrophobicContact CD1-CE1 4.49Å; L125-F132 HydrophobicContact CD1-CE2 4.25Å; L125-F132 HydrophobicContact CD1-CG 3.89Å; L125-F132 HydrophobicContact CD2-CB 3.64Å; L125-F132 HydrophobicContact CD2-CD2 4.42Å; L125-F132 HydrophobicContact CD2-CG 4.09Å; F132-I160 HydrophobicContact CE1-CG2 4.44Å; F132-I160 HydrophobicContact CE2-CB 4.41Å; F132-I160 HydrophobicContact CE2-CG2 3.87Å; F132-I160 HydrophobicContact CZ-CB 4.02Å; F132-I160 HydrophobicContact CZ-CG2 3.71Å; F132-R166 HydrophobicContact CD1-CB 3.78Å; F132-R166 HydrophobicContact CE1-CB 4.46Å; F132-R166 WeakPolarHBondContact CE1-O 3.22Å; F132-P168 HydrophobicContact CD1-CB 3.68Å; F132-P168 HydrophobicContact CD1-CG 4.32Å; F132-P168 HydrophobicContact CD2-CB 3.94Å; F132-P168 HydrophobicContact CE1-CB 3.7Å; F132-P168 HydrophobicContact CE1-CG 3.95Å; F132-P168 HydrophobicContact CE2-CB 3.94Å; F132-P168 HydrophobicContact CG-CB 3.79Å; F132-P168 HydrophobicContact CZ-CB 3.83Å; F132-P168 HydrophobicContact CZ-CG 4.13Å; F132-P168 CarbonylContact O-C 3.59Å; F132-P168 WeakPolarHBondContact O-CA 3.2Å; F132-I169 PolarHBondContact O-N 3.41Å
133V98.4Very high92.6Very high0 Ų057.9 Ų57.90%029%0.288CS..EExtended strand (participates in β ladder)trans-129140.9-174.2-172.90000109.5Y45 L46 V105 L106 V107 R131 I169 L171Y45-V133 HydrophobicContact CD1-CG1 4.23Å; Y45-V133 HydrophobicContact CD1-CG2 4.4Å; Y45-V133 HydrophobicContact CE1-CG1 4.32Å; Y45-V133 HydrophobicContact CE1-CG2 3.86Å; L46-V133 HydrophobicContact CD2-CG2 4.23Å; V105-V133 PolarHBondContact O-N 3.15Å; L106-V133 CarbonylContact C-O 3.57Å; L106-V133 WeakPolarHBondContact CA-O 3.35Å; L106-V133 HydrophobicContact CD1-CB 3.87Å; L106-V133 HydrophobicContact CD1-CG1 3.68Å; V107-V133 PolarHBondContact N-O 3.48Å; R131-V133 HydrophobicContact CB-CG2 4.23Å; V133-I169 WeakPolarHBondContact CA-O 3.24Å; V133-L171 HydrophobicContact CG1-CD1 3.5Å; V133-L171 HydrophobicContact CG1-CD2 4.38Å; V133-L171 HydrophobicContact CG1-CG 3.82Å
134A98.3Very high91.6Very high0 Ų066.1 Ų66.10%032%0.323CS..EExtended strand (participates in β ladder)trans-124.6138.8175.600000111V107 V157 P168 I169 V170 L171V107-A134 CarbonylContact O-C 3.25Å; V107-A134 VanDerWaalsContact O-CA 3.25Å; V107-A134 WeakPolarHBondContact O-CA 3.46Å; A134-V157 HydrophobicContact CB-CG1 4.16Å; A134-V157 HydrophobicContact CB-CG2 3.62Å; A134-P168 HydrophobicContact CB-CB 4.03Å; A134-P168 HydrophobicContact CB-CG 4.32Å; A134-I169 PolarHBondContact N-O 3.32Å; A134-V170 HydrophobicContact CB-CG1 4.49Å; A134-V170 HydrophobicContact CB-CG2 4.22Å; A134-L171 PolarHBondContact O-N 3.21Å
135T96.7Very high91Very high0 Ų068.2 Ų68.20%034%0.335CS..SBendtrans-68.7-42.4176.762.40000111.1S38 A42 L64 L106 V107 G108 G172S38-T135 VanDerWaalsContact CB-O 3.24Å; S38-T135 WeakPolarHBondContact CB-O 3.17Å; A42-T135 HydrophobicContact CB-CG2 4.19Å; L64-T135 HydrophobicContact CD1-CG2 4.01Å; L64-T135 HydrophobicContact CD2-CG2 3.99Å; L106-T135 HydrophobicContact CD1-CG2 4.14Å; V107-T135 PolarHBondContact O-N 2.88Å; G108-T135 VanDerWaalsContact CA-OG1 3.28Å; G108-T135 WeakPolarHBondContact CA-OG1 3.38Å; T135-G172 VanDerWaalsContact O-CA 3.3Å; T135-G172 WeakPolarHBondContact O-CA 3.46Å; T135-G172 PolarHBondContact O-N 3.1Å
136N94.9Very high90Very high1 Ų174.1 Ų74.11%0.00538%0.375CS..  trans-157.616817265.880.2000109.1N9 D138 A153N9-N136 HydrophobicContact CB-CB 3.87Å; N9-N136 PolarHBondContact O-ND2 3.49Å; N136-D138 WeakPolarHBondContact OD1-CB 3.44Å; N136-D138 PolarHBondContact OD1-N 3.46Å; N136-D138 VanDerWaalsContact OD1-N 3.1Å; N136-A153 WeakPolarHBondContact OD1-CB 3.49Å
137D94.7Very high89.6Confident62 Ų6274.3 Ų74.333%0.33238%0.376SS..  trans-116.324.7176.257.5-12.6000112.5A139 V170 H175D137-A139 PolarHBondContact O-N 3.33Å; D137-V170 HydrophobicContact CB-CG1 4.12Å; D137-V170 HydrophobicContact CB-CG2 4.33Å; D137-H175 IonicContact OD1-CD2 2.93Å; D137-H175 IonicContact OD1-NE2 3.85Å; D137-H175 PolarHBondContact OD1-NE2 2.87Å; D137-H175 IonicContact OD2-CD2 3.65Å; D137-H175 IonicContact OD2-CE1 3.85Å; D137-H175 IonicContact OD2-NE2 2.73Å; D137-H175 PolarHBondContact OD2-NE2 2.94Å
138D91.6Very high89.1Confident24 Ų2474.3 Ų74.313%0.12838%0.375CS..  trans-60.7125.2178.1-61.8-22.7000109.6N9 N136 F141 G152 G154N9-D138 WeakPolarHBondContact CB-OD2 3.17Å; N9-D138 PolarHBondContact ND2-OD1 3.24Å; N9-D138 PolarHBondContact ND2-OD2 3.32Å; N136-D138 WeakPolarHBondContact OD1-CB 3.44Å; N136-D138 PolarHBondContact OD1-N 3.46Å; N136-D138 VanDerWaalsContact OD1-N 3.1Å; D138-F141 HydrophobicContact CB-CE1 4.04Å; D138-F141 HydrophobicContact CB-CZ 3.78Å; D138-F141 WeakPolarHBondContact OD2-CE1 3.46Å; D138-G152 CarbonylContact O-C 3.58Å; D138-G152 WeakPolarHBondContact O-CA 3.33Å; D138-G154 WeakPolarHBondContact O-CA 3.28Å; D138-G154 PolarHBondContact O-N 3.22Å
139A88.9Confident88.6Confident64 Ų6469.5 Ų69.553%0.52936%0.364SS..  trans-66.1-43.2-174.100000112.4D137 G152 S155D137-A139 PolarHBondContact O-N 3.33Å; A139-G152 PolarHBondContact O-N 3.25Å; A139-S155 PolarHBondContact O-OG 3.31Å; A139-S155 VanDerWaalsContact O-OG 3.05Å
140F86.2Confident88.4Confident117 Ų11766.3 Ų66.351%0.51335%0.347SS..EExtended strand (participates in β ladder)trans-152.7166.7-179.772.6-84.1000111.5A149 L150F140-A149 HydrophobicContact CD2-CB 4.18Å; F140-L150 CarbonylContact C-O 3.59Å; F140-L150 WeakPolarHBondContact CA-O 3.18Å; F140-L150 VanDerWaalsContact CB-O 3.31Å; F140-L150 WeakPolarHBondContact CB-O 3.43Å
141F78.4Confident88.2Confident54 Ų5470.3 Ų70.324%0.23737%0.373CS..EExtended strand (participates in β ladder)trans-122.4144.2167.3-59.6-76.4000110.1D138 L150D138-F141 HydrophobicContact CB-CE1 4.04Å; D138-F141 HydrophobicContact CB-CZ 3.78Å; D138-F141 WeakPolarHBondContact OD2-CE1 3.46Å; F141-L150 PolarHBondContact N-O 2.81Å; F141-L150 PolarHBondContact O-N 2.89Å; F141-L150 VanDerWaalsContact O-N 3.09Å
142P70.6Confident87.9Confident80 Ų8064.5 Ų64.552%0.51935%0.351SS..EExtended strand (participates in β ladder)trans-66.5145.5173.828.3-33.7000110.4
143S78.2Confident87.7Confident33 Ų3364.3 Ų64.323%0.23135%0.35CS..  trans-102.7168.1166.991.40000110.6N145 I148S143-N145 PolarHBondContact O-N 3.41Å; S143-N145 PolarHBondContact OG-N 2.88Å; S143-N145 VanDerWaalsContact OG-N 3.15Å; S143-N145 PolarHBondContact OG-O 2.92Å; S143-I148 WeakPolarHBondContact CB-O 3.39Å; S143-I148 WeakPolarHBondContact OG-CB 3.46Å; S143-I148 PolarHBondContact OG-O 3.21Å; S143-I148 VanDerWaalsContact OG-O 3.06Å
144E77.3Confident87.6Confident210 Ų21064.5 Ų64.598%0.98135%0.352SS*.SBendtrans-58.2-29.6173.9-66.8178.4-179.600112.3
145N84.3Confident87.5Confident63 Ų6367.1 Ų67.134%0.33737%0.37SS..SBendtrans-89.4109.4170.5-177.5-11.8000109S143 R147 I148S143-N145 PolarHBondContact O-N 3.41Å; S143-N145 PolarHBondContact OG-N 2.88Å; S143-N145 VanDerWaalsContact OG-N 3.15Å; S143-N145 PolarHBondContact OG-O 2.92Å; N145-R147 PolarHBondContact O-N 2.93Å; N145-R147 WeakPolarHBondContact OD1-CB 3.46Å; N145-R147 PolarHBondContact OD1-N 3.02Å; N145-I148 HydrophobicContact CB-CB 4.42Å; N145-I148 HydrophobicContact CB-CD1 4.01Å; N145-I148 HydrophobicContact CB-CG1 4.2Å; N145-I148 WeakPolarHBondContact ND2-CD1 3.24Å; N145-I148 PolarHBondContact O-N 3.09Å
146C78.5Confident87.5Confident129 Ų12968 Ų6887%0.87238%0.375SS*.THydrogen-bonded Turntrans-58.4-15.6-179.661.60000114.4I148C146-I148 VanDerWaalsContact C-N 3.34Å
147R86.8Confident87.6Confident218 Ų21868.2 Ų68.282%0.82338%0.376SS*.THydrogen-bonded Turntrans-83.2-7.2174.2-58.8-174.2-69.8-172.1-0.8113.9N145N145-R147 PolarHBondContact O-N 2.93Å; N145-R147 WeakPolarHBondContact OD1-CB 3.46Å; N145-R147 PolarHBondContact OD1-N 3.02Å
148I85.3Confident87.8Confident83 Ų8371.4 Ų71.443%0.42639%0.389SS..  trans-116.4115.3-176.7-60175.6000109S143 N145 C146 L150S143-I148 WeakPolarHBondContact CB-O 3.39Å; S143-I148 WeakPolarHBondContact OG-CB 3.46Å; S143-I148 PolarHBondContact OG-O 3.21Å; S143-I148 VanDerWaalsContact OG-O 3.06Å; N145-I148 HydrophobicContact CB-CB 4.42Å; N145-I148 HydrophobicContact CB-CD1 4.01Å; N145-I148 HydrophobicContact CB-CG1 4.2Å; N145-I148 WeakPolarHBondContact ND2-CD1 3.24Å; N145-I148 PolarHBondContact O-N 3.09Å; C146-I148 VanDerWaalsContact C-N 3.34Å; I148-L150 HydrophobicContact CG2-CD2 3.96Å
149A85.5Confident88.1Confident66 Ų6672 Ų7255%0.54540%0.397SS..EExtended strand (participates in β ladder)trans-97.4128.4168.100000109.3F140F140-A149 HydrophobicContact CD2-CB 4.18Å
150L88.9Confident88.6Confident63 Ų6369 Ų6933%0.3337%0.372SS..EExtended strand (participates in β ladder)trans-94.8122177.1-60.2177.1000108.8F140 F141 I148 G152F140-L150 CarbonylContact C-O 3.59Å; F140-L150 WeakPolarHBondContact CA-O 3.18Å; F140-L150 VanDerWaalsContact CB-O 3.31Å; F140-L150 WeakPolarHBondContact CB-O 3.43Å; F141-L150 PolarHBondContact N-O 2.81Å; F141-L150 PolarHBondContact O-N 2.89Å; F141-L150 VanDerWaalsContact O-N 3.09Å; I148-L150 HydrophobicContact CG2-CD2 3.96Å; L150-G152 PolarHBondContact O-N 3.33Å
151P92.5Very high89.1Confident84 Ų8464.2 Ų64.255%0.54535%0.353SS..EExtended strand (participates in β ladder)trans-52.9132175.2-26.634.7000111.2F109F109-P151 WeakPolarHBondContact CE2-O 3.06Å
152G91.9Very high90.1Very high0 Ų071.3 Ų71.30%038%0.38CS..  trans-86.2-177.5179.600000112.2D138 A139 L150 G154 S155D138-G152 CarbonylContact O-C 3.58Å; D138-G152 WeakPolarHBondContact O-CA 3.33Å; A139-G152 PolarHBondContact O-N 3.25Å; L150-G152 PolarHBondContact O-N 3.33Å; G152-G154 PolarHBondContact O-N 3.44Å; G152-S155 PolarHBondContact O-N 2.94Å
153A94.3Very high91.4Very high0 Ų070.1 Ų70.10%038%0.377CS..Hα-helixtrans-61-33.917500000111.2F109 N136 S155 I156 V157F109-A153 HydrophobicContact CB-CB 4.41Å; N136-A153 WeakPolarHBondContact OD1-CB 3.49Å; A153-S155 PolarHBondContact O-N 3.3Å; A153-I156 PolarHBondContact O-N 3.06Å; A153-V157 VanDerWaalsContact O-CG2 3.27Å; A153-V157 WeakPolarHBondContact O-CG2 3.17Å; A153-V157 PolarHBondContact O-N 3.18Å
154G95.6Very high92.3Very high3 Ų369.6 Ų69.63%0.03137%0.373CS..Hα-helixtrans-55-35.8176.900000113.7D138 G152 I156 V157 Q158D138-G154 WeakPolarHBondContact O-CA 3.28Å; D138-G154 PolarHBondContact O-N 3.22Å; G152-G154 PolarHBondContact O-N 3.44Å; G154-I156 PolarHBondContact O-N 3.1Å; G154-V157 PolarHBondContact O-N 3.34Å; G154-Q158 WeakPolarHBondContact O-CB 3.33Å; G154-Q158 VanDerWaalsContact O-CG 3.25Å; G154-Q158 WeakPolarHBondContact O-CG 3.38Å; G154-Q158 PolarHBondContact O-N 2.98Å
155S95.9Very high93.3Very high56 Ų5668.3 Ų68.339%0.39237%0.367SS..Hα-helixtrans-63-42.1176.3-66.30000112.1A139 G152 A153 A159A139-S155 PolarHBondContact O-OG 3.31Å; A139-S155 VanDerWaalsContact O-OG 3.05Å; G152-S155 PolarHBondContact O-N 2.94Å; A153-S155 PolarHBondContact O-N 3.3Å; S155-A159 PolarHBondContact O-N 3.33Å
156I97.1Very high94Very high18 Ų1868.5 Ų68.59%0.09236%0.363CS..Hα-helixtrans-71.2-44177.3-55.9172.6000110L59 V107 D110 I113 A153 G154 Q158 A159 I160L59-I156 HydrophobicContact CD1-CG2 4.14Å; V107-I156 HydrophobicContact CG1-CB 4.06Å; V107-I156 HydrophobicContact CG1-CG2 3.65Å; D110-I156 HydrophobicContact CB-CD1 3.93Å; I113-I156 HydrophobicContact CB-CD1 4.15Å; I113-I156 HydrophobicContact CD1-CG2 3.85Å; I113-I156 HydrophobicContact CG1-CD1 4.38Å; I113-I156 HydrophobicContact CG1-CG1 4.35Å; I113-I156 HydrophobicContact CG1-CG2 4.06Å; I113-I156 HydrophobicContact CG2-CD1 4.21Å; I113-I156 HydrophobicContact CG2-CG1 4.45Å; A153-I156 PolarHBondContact O-N 3.06Å; G154-I156 PolarHBondContact O-N 3.1Å; I156-Q158 VanDerWaalsContact C-N 3.29Å; I156-Q158 PolarHBondContact O-N 3.36Å; I156-A159 PolarHBondContact O-N 2.84Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 WeakPolarHBondContact O-CG1 3.13Å; I156-I160 PolarHBondContact O-N 2.64Å
157V98Very high94.9Very high5 Ų571.2 Ų71.23%0.0336%0.36CS..Hα-helixtrans-55.3-45.8177.5171.50000110.8V107 A134 A153 G154 I160 S161 P168V107-V157 HydrophobicContact CB-CG2 3.93Å; V107-V157 HydrophobicContact CG1-CB 4.46Å; V107-V157 HydrophobicContact CG1-CG2 3.58Å; A134-V157 HydrophobicContact CB-CG1 4.16Å; A134-V157 HydrophobicContact CB-CG2 3.62Å; A153-V157 VanDerWaalsContact O-CG2 3.27Å; A153-V157 WeakPolarHBondContact O-CG2 3.17Å; A153-V157 PolarHBondContact O-N 3.18Å; G154-V157 PolarHBondContact O-N 3.34Å; V157-I160 PolarHBondContact O-N 3.29Å; V157-S161 WeakPolarHBondContact O-CB 3.34Å; V157-S161 PolarHBondContact O-N 3.35Å; V157-P168 HydrophobicContact CG1-CG 3.66Å
158Q97.9Very high95.4Very high130 Ų13062.1 Ų62.161%0.60733%0.329SS*.Hα-helixtrans-65-41179.2-71.4-68.923.200112.4G154 I156 I160 S161 Y162G154-Q158 WeakPolarHBondContact O-CB 3.33Å; G154-Q158 VanDerWaalsContact O-CG 3.25Å; G154-Q158 WeakPolarHBondContact O-CG 3.38Å; G154-Q158 PolarHBondContact O-N 2.98Å; I156-Q158 VanDerWaalsContact C-N 3.29Å; I156-Q158 PolarHBondContact O-N 3.36Å; Q158-I160 PolarHBondContact O-N 2.88Å; Q158-S161 PolarHBondContact O-N 3.02Å; Q158-Y162 VanDerWaalsContact O-CB 3.29Å; Q158-Y162 WeakPolarHBondContact O-CB 3.37Å; Q158-Y162 PolarHBondContact O-N 2.79Å
159A97.9Very high96Very high37 Ų3761.5 Ų61.531%0.30633%0.326SS..Hα-helixtrans-61-45177.300000111.9M118 S155 I156 A163M118-A159 HydrophobicContact CE-CB 3.59Å; S155-A159 PolarHBondContact O-N 3.33Å; I156-A159 PolarHBondContact O-N 2.84Å; A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 2.86Å; A159-A163 VanDerWaalsContact O-N 3.15Å
160I98.5Very high96.6Very high0 Ų059.1 Ų59.10%031%0.305CS..Hα-helixtrans-69.2-41.5176.2-58.5-55000111.6L59 M118 A121 V122 L125 F132 I156 V157 Q158 Y162 A163 S164L59-I160 HydrophobicContact CD1-CD1 4.01Å; L59-I160 HydrophobicContact CD1-CG1 3.86Å; M118-I160 HydrophobicContact CB-CD1 3.85Å; M118-I160 HydrophobicContact CE-CD1 4.32Å; M118-I160 HydrophobicContact CG-CD1 3.81Å; A121-I160 HydrophobicContact CB-CD1 3.87Å; A121-I160 HydrophobicContact CB-CG1 4.45Å; A121-I160 HydrophobicContact CB-CG2 4.3Å; V122-I160 HydrophobicContact CG2-CD1 4.35Å; L125-I160 HydrophobicContact CD1-CG2 3.6Å; F132-I160 HydrophobicContact CE1-CG2 4.44Å; F132-I160 HydrophobicContact CE2-CB 4.41Å; F132-I160 HydrophobicContact CE2-CG2 3.87Å; F132-I160 HydrophobicContact CZ-CB 4.02Å; F132-I160 HydrophobicContact CZ-CG2 3.71Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 WeakPolarHBondContact O-CG1 3.13Å; I156-I160 PolarHBondContact O-N 2.64Å; V157-I160 PolarHBondContact O-N 3.29Å; Q158-I160 PolarHBondContact O-N 2.88Å; I160-Y162 PolarHBondContact O-N 3.39Å; I160-A163 PolarHBondContact O-N 3Å; I160-S164 VanDerWaalsContact O-CB 3.27Å; I160-S164 WeakPolarHBondContact O-CB 3.32Å; I160-S164 PolarHBondContact O-N 3.1Å; I160-S164 PolarHBondContact O-OG 3.43Å
161S98.4Very high97Very high17 Ų1756.1 Ų56.112%0.11929%0.289CS..Hα-helixtrans-62-44.2179.9-175.20000111.7V157 Q158 Q165 R166V157-S161 WeakPolarHBondContact O-CB 3.34Å; V157-S161 PolarHBondContact O-N 3.35Å; Q158-S161 PolarHBondContact O-N 3.02Å; S161-Q165 WeakPolarHBondContact O-CA 3.44Å; S161-Q165 PolarHBondContact O-N 3.07Å; S161-R166 WeakPolarHBondContact CA-O 3.2Å; S161-R166 WeakPolarHBondContact CB-O 3.29Å; S161-R166 PolarHBondContact O-N 2.88Å; S161-R166 PolarHBondContact OG-O 3.41Å
162Y98.3Very high97.2Very high203 Ų20352.1 Ų52.180%0.79626%0.263SS*.Hα-helixtrans-64.3-50.1177.5-171.2-95.2000111.4Q158 I160 S164 Q165Q158-Y162 VanDerWaalsContact O-CB 3.29Å; Q158-Y162 WeakPolarHBondContact O-CB 3.37Å; Q158-Y162 PolarHBondContact O-N 2.79Å; I160-Y162 PolarHBondContact O-N 3.39Å; Y162-S164 PolarHBondContact O-N 2.59Å; Y162-Q165 PolarHBondContact O-N 3.33Å
163A97.8Very high97.3Very high55 Ų5553 Ų5346%0.45527%0.267SS..Hα-helixtrans-67.3-36.3-177.500000113.5V122 A159 I160V122-A163 HydrophobicContact CG1-CB 4.47Å; V122-A163 HydrophobicContact CG2-CB 3.62Å; A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 2.86Å; A159-A163 VanDerWaalsContact O-N 3.15Å; I160-A163 PolarHBondContact O-N 3Å
164S98Very high97.4Very high21 Ų2153.5 Ų53.515%0.14727%0.27CS..Hα-helixtrans-85.4-12.2178.363.80000114.1I160 Y162 R166I160-S164 VanDerWaalsContact O-CB 3.27Å; I160-S164 WeakPolarHBondContact O-CB 3.32Å; I160-S164 PolarHBondContact O-N 3.1Å; I160-S164 PolarHBondContact O-OG 3.43Å; Y162-S164 PolarHBondContact O-N 2.59Å; S164-R166 PolarHBondContact O-N 3.06Å; S164-R166 VanDerWaalsContact O-N 3.12Å; S164-R166 WeakPolarHBondContact OG-CB 3.47Å; S164-R166 PolarHBondContact OG-N 3.36Å
165Q97.9Very high97.4Very high184 Ų18455.8 Ų55.886%0.8628%0.28SS*.THydrogen-bonded Turntrans55.221.4-170.1-53.8-178.26.300113.9S161 Y162S161-Q165 WeakPolarHBondContact O-CA 3.44Å; S161-Q165 PolarHBondContact O-N 3.07Å; Y162-Q165 PolarHBondContact O-N 3.33Å
166R98.1Very high97.4Very high67 Ų6754.9 Ų54.925%0.25327%0.274SS..  trans-105.8143.8177.7-65.4-76.2-46.7-79-5.1109.6C130 F132 S161 S164C130-R166 PolarHBondContact O-NH1 3.04Å; F132-R166 HydrophobicContact CD1-CB 3.78Å; F132-R166 HydrophobicContact CE1-CB 4.46Å; F132-R166 WeakPolarHBondContact CE1-O 3.22Å; S161-R166 WeakPolarHBondContact CA-O 3.2Å; S161-R166 WeakPolarHBondContact CB-O 3.29Å; S161-R166 PolarHBondContact O-N 2.88Å; S161-R166 PolarHBondContact OG-O 3.41Å; S164-R166 PolarHBondContact O-N 3.06Å; S164-R166 VanDerWaalsContact O-N 3.12Å; S164-R166 WeakPolarHBondContact OG-CB 3.47Å; S164-R166 PolarHBondContact OG-N 3.36Å
167K97.8Very high97.4Very high186 Ų18655.7 Ų55.781%0.80928%0.28SS*.  trans-93.9134.3166.9-67.7-174.3-179.6-179.50110.2
168P98.1Very high97.3Very high27 Ų2755.5 Ų55.518%0.17528%0.279CS..  trans-78.2158.2177.233.3-35.3000111.2F132 A134 V157 V170F132-P168 HydrophobicContact CD1-CB 3.68Å; F132-P168 HydrophobicContact CD1-CG 4.32Å; F132-P168 HydrophobicContact CD2-CB 3.94Å; F132-P168 HydrophobicContact CE1-CB 3.7Å; F132-P168 HydrophobicContact CE1-CG 3.95Å; F132-P168 HydrophobicContact CE2-CB 3.94Å; F132-P168 HydrophobicContact CG-CB 3.79Å; F132-P168 HydrophobicContact CZ-CB 3.83Å; F132-P168 HydrophobicContact CZ-CG 4.13Å; F132-P168 CarbonylContact O-C 3.59Å; F132-P168 WeakPolarHBondContact O-CA 3.2Å; A134-P168 HydrophobicContact CB-CB 4.03Å; A134-P168 HydrophobicContact CB-CG 4.32Å; V157-P168 HydrophobicContact CG1-CG 3.66Å; P168-V170 HydrophobicContact CG-CG2 4.05Å
169I97.8Very high97.2Very high69 Ų6949.9 Ų49.935%0.35425%0.253SS..EExtended strand (participates in β ladder)trans-82.6111.7158.1-61.8171.5000106.9Y45 F132 V133 A134 L171Y45-I169 WeakPolarHBondContact OH-CD1 3.25Å; F132-I169 PolarHBondContact O-N 3.41Å; V133-I169 WeakPolarHBondContact CA-O 3.24Å; A134-I169 PolarHBondContact N-O 3.32Å; I169-L171 HydrophobicContact CG2-CD2 3.93Å
170V97.8Very high97.1Very high16 Ų1652.6 Ų52.610%0.09726%0.259CS..EExtended strand (participates in β ladder)trans-89.4126.8178.3-171.50000109.3A134 D137 P168 H175A134-V170 HydrophobicContact CB-CG1 4.49Å; A134-V170 HydrophobicContact CB-CG2 4.22Å; D137-V170 HydrophobicContact CB-CG1 4.12Å; D137-V170 HydrophobicContact CB-CG2 4.33Å; P168-V170 HydrophobicContact CG-CG2 4.05Å; V170-H175 VanDerWaalsContact CB-CD2 3.49Å; V170-H175 WeakPolarHBondContact CB-CD2 3.47Å; V170-H175 WeakPolarHBondContact CG1-CD2 3.27Å; V170-H175 WeakPolarHBondContact O-CB 3.45Å
171L97.4Very high96.9Very high0 Ų054.2 Ų54.20%027%0.265CS..  trans-95.1-29.9-171.1-61.2-179.2000113.9V41 A42 Y45 V133 A134 I169 P177 M178V41-L171 HydrophobicContact CG1-CB 4.01Å; A42-L171 HydrophobicContact CB-CD1 3.61Å; Y45-L171 HydrophobicContact CD1-CD1 4.24Å; Y45-L171 HydrophobicContact CD1-CD2 4.24Å; Y45-L171 HydrophobicContact CD2-CD2 4Å; Y45-L171 HydrophobicContact CE2-CD2 4.43Å; Y45-L171 HydrophobicContact CG-CD1 4.19Å; Y45-L171 HydrophobicContact CG-CD2 3.91Å; V133-L171 HydrophobicContact CG1-CD1 3.5Å; V133-L171 HydrophobicContact CG1-CD2 4.38Å; V133-L171 HydrophobicContact CG1-CG 3.82Å; A134-L171 PolarHBondContact O-N 3.21Å; I169-L171 HydrophobicContact CG2-CD2 3.93Å; L171-P177 HydrophobicContact CB-CB 4.46Å; L171-P177 HydrophobicContact CD2-CB 3.65Å; L171-P177 HydrophobicContact CD2-CG 4.05Å; L171-M178 WeakPolarHBondContact O-CB 3.32Å; L171-M178 PolarHBondContact O-N 2.89Å
172G95.9Very high96.7Very high0 Ų053.8 Ų53.80%026%0.262CS..SBendtrans-78177.6-179.200000114.4N9 T135 H175N9-G172 WeakPolarHBondContact OD1-CA 3.27Å; T135-G172 VanDerWaalsContact O-CA 3.3Å; T135-G172 WeakPolarHBondContact O-CA 3.46Å; T135-G172 PolarHBondContact O-N 3.1Å; G172-H175 WeakPolarHBondContact O-CA 3.49Å; G172-H175 VanDerWaalsContact O-CB 3.23Å; G172-H175 WeakPolarHBondContact O-CB 3.37Å; G172-H175 PolarHBondContact O-CD2 3.42Å; G172-H175 PolarHBondContact O-N 2.94Å
173K95.5Very high96.5Very high18 Ų1848.4 Ų48.48%0.07824%0.243CC..THydrogen-bonded Turntrans-59.6143.2172.8-56.6177.1-68.3-176.30109.8V7 N9 H175 M178 M195 D203 F206V7-K173 HydrophobicContact CG1-CD 4.15Å; V7-K173 PolarHBondContact O-NZ 2.93Å; V7-K173 VanDerWaalsContact O-NZ 3.07Å; N9-K173 PolarHBondContact ND2-O 2.73Å; N9-K173 PolarHBondContact OD1-N 2.79Å; K173-H175 VanDerWaalsContact C-N 3.35Å; K173-M178 HydrophobicContact CD-SD 4.41Å; K173-M178 HydrophobicContact CG-SD 3.73Å; K173-M195 HydrophobicContact CD-CE 3.8Å; K173-D203 WeakPolarHBondContact CE-OD1 3.42Å; K173-D203 IonicContact NZ-OD1 2.79Å; K173-D203 PolarHBondContact NZ-OD1 3.4Å; K173-F206 HydrophobicContact CB-CB 4.1Å; K173-F206 HydrophobicContact CB-CD2 4.14Å; K173-F206 HydrophobicContact CB-CG 4.23Å; K173-F206 HydrophobicContact CD-CB 4.43Å; K173-F206 HydrophobicContact CD-CD1 4.29Å; K173-F206 HydrophobicContact CD-CG 4.24Å; K173-F206 HydrophobicContact CG-CB 4.08Å; K173-F206 HydrophobicContact CG-CD1 4.19Å; K173-F206 HydrophobicContact CG-CD2 3.73Å; K173-F206 HydrophobicContact CG-CE2 4.11Å; K173-F206 HydrophobicContact CG-CG 3.75Å; K173-F206 HydrophobicContact CG-CZ 4.49Å
174P95.2Very high96.2Very high12 Ų1249.8 Ų49.88%0.07824%0.242CC..THydrogen-bonded Turncis-87.4164.635.6-36.7000115R205 R209P174-R205 HydrophobicContact CB-CB 3.88Å; P174-R205 HydrophobicContact CB-CG 3.76Å; P174-R205 HydrophobicContact CG-CG 4.39Å; P174-R209 WeakPolarHBondContact O-CD 3.42Å
175H96.1Very high95.9Very high50 Ų5053.8 Ų53.823%0.23126%0.259CS..SBendtrans-83.8151.7-174.6-52.5-89.9000111.9D137 V170 G172 K173 F206D137-H175 IonicContact OD1-CD2 2.93Å; D137-H175 IonicContact OD1-NE2 3.85Å; D137-H175 PolarHBondContact OD1-NE2 2.87Å; D137-H175 IonicContact OD2-CD2 3.65Å; D137-H175 IonicContact OD2-CE1 3.85Å; D137-H175 IonicContact OD2-NE2 2.73Å; D137-H175 PolarHBondContact OD2-NE2 2.94Å; V170-H175 VanDerWaalsContact CB-CD2 3.49Å; V170-H175 WeakPolarHBondContact CB-CD2 3.47Å; V170-H175 WeakPolarHBondContact CG1-CD2 3.27Å; V170-H175 WeakPolarHBondContact O-CB 3.45Å; G172-H175 WeakPolarHBondContact O-CA 3.49Å; G172-H175 VanDerWaalsContact O-CB 3.23Å; G172-H175 WeakPolarHBondContact O-CB 3.37Å; G172-H175 PolarHBondContact O-CD2 3.42Å; G172-H175 PolarHBondContact O-N 2.94Å; K173-H175 VanDerWaalsContact C-N 3.35Å; H175-F206 WeakPolarHBondContact O-CE2 3.42Å
176S95.8Very high95.5Very high38 Ų3845.7 Ų45.727%0.26622%0.221SC..THydrogen-bonded Turntrans-70.7-21.6-174.9-61.70000117.5M178 F179 H180 N210S176-M178 VanDerWaalsContact C-N 3.29Å; S176-M178 PolarHBondContact O-N 3.37Å; S176-F179 WeakPolarHBondContact O-CA 3.28Å; S176-F179 WeakPolarHBondContact O-CB 3.24Å; S176-F179 PolarHBondContact O-N 3.02Å; S176-H180 PolarHBondContact O-CD2 3.39Å; S176-H180 VanDerWaalsContact O-CD2 3.24Å; S176-H180 PolarHBondContact O-N 2.66Å; S176-N210 WeakPolarHBondContact CB-OD1 3.12Å; S176-N210 PolarHBondContact OG-OD1 3.48Å
177P96.4Very high95.2Very high35 Ų3550.5 Ų50.523%0.22724%0.244CC..Hα-helixtrans-56.5-38.4-178-28.536.6000114.5L171 F179 H180 Y181L171-P177 HydrophobicContact CB-CB 4.46Å; L171-P177 HydrophobicContact CD2-CB 3.65Å; L171-P177 HydrophobicContact CD2-CG 4.05Å; P177-F179 VanDerWaalsContact C-N 3.32Å; P177-F179 PolarHBondContact O-N 2.92Å; P177-H180 PolarHBondContact O-N 3.43Å; P177-Y181 PolarHBondContact O-N 3.2Å
178M95.9Very high95Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-64.3-35.8173.7177.4170.1-78.100112.6V7 V36 V41 L171 K173 S176 Y181 V182 F206V7-M178 HydrophobicContact CG1-CE 4.46Å; V7-M178 HydrophobicContact CG1-CG 3.72Å; V7-M178 HydrophobicContact CG1-SD 3.16Å; V7-M178 WeakPolarHBondContact CG1-SD 3.44Å; V36-M178 HydrophobicContact CG1-CG 4.29Å; V41-M178 HydrophobicContact CG2-CB 4.19Å; V41-M178 HydrophobicContact CG2-CE 4.05Å; V41-M178 HydrophobicContact CG2-CG 4.09Å; L171-M178 WeakPolarHBondContact O-CB 3.32Å; L171-M178 PolarHBondContact O-N 2.89Å; K173-M178 HydrophobicContact CD-SD 4.41Å; K173-M178 HydrophobicContact CG-SD 3.73Å; S176-M178 VanDerWaalsContact C-N 3.29Å; S176-M178 PolarHBondContact O-N 3.37Å; M178-Y181 WeakPolarHBondContact O-CB 3.43Å; M178-Y181 PolarHBondContact O-N 2.88Å; M178-V182 VanDerWaalsContact O-CG2 3.27Å; M178-V182 WeakPolarHBondContact O-CG2 3.4Å; M178-V182 PolarHBondContact O-N 2.84Å; M178-F206 HydrophobicContact CB-CE2 4.09Å; M178-F206 HydrophobicContact CB-CZ 4.39Å; M178-F206 HydrophobicContact CG-CE2 4.33Å; M178-F206 HydrophobicContact CG-CZ 4.21Å
179F96.7Very high94.8Very high13 Ų1344.7 Ų44.76%0.05722%0.22CC..Hα-helixtrans-68-42.2173.8171.3-104.3000111.8S176 P177 Y181 V182 K183 I188 P190 F206 N210 L212S176-F179 WeakPolarHBondContact O-CA 3.28Å; S176-F179 WeakPolarHBondContact O-CB 3.24Å; S176-F179 PolarHBondContact O-N 3.02Å; P177-F179 VanDerWaalsContact C-N 3.32Å; P177-F179 PolarHBondContact O-N 2.92Å; F179-Y181 VanDerWaalsContact C-N 3.29Å; F179-Y181 PolarHBondContact O-N 3.37Å; F179-V182 PolarHBondContact O-N 3.39Å; F179-V182 VanDerWaalsContact O-N 3.15Å; F179-K183 HydrophobicContact CE1-CD 4.09Å; F179-K183 HydrophobicContact CZ-CD 4.3Å; F179-K183 VanDerWaalsContact O-CB 3.3Å; F179-K183 WeakPolarHBondContact O-CB 3.47Å; F179-K183 PolarHBondContact O-N 3.43Å; F179-I188 HydrophobicContact CE2-CD1 4.22Å; F179-P190 HydrophobicContact CE2-CB 4.34Å; F179-P190 HydrophobicContact CE2-CG 4.13Å; F179-P190 HydrophobicContact CZ-CB 3.99Å; F179-P190 HydrophobicContact CZ-CG 3.54Å; F179-F206 HydrophobicContact CB-CE2 3.74Å; F179-F206 HydrophobicContact CB-CZ 3.57Å; F179-N210 HydrophobicContact CB-CB 3.98Å; F179-N210 WeakPolarHBondContact CB-OD1 3.21Å; F179-N210 HydrophobicContact CD1-CB 3.61Å; F179-N210 WeakPolarHBondContact CD1-OD1 3.29Å; F179-N210 HydrophobicContact CD2-CB 3.59Å; F179-N210 HydrophobicContact CE1-CB 3.83Å; F179-N210 HydrophobicContact CE2-CB 3.82Å; F179-N210 HydrophobicContact CG-CB 3.45Å; F179-N210 VanDerWaalsContact CG-CB 3.45Å; F179-N210 WeakPolarHBondContact CG-OD1 3.49Å; F179-N210 HydrophobicContact CZ-CB 3.89Å; F179-N210 WeakPolarHBondContact CZ-O 3.24Å; F179-L212 HydrophobicContact CD2-CD1 4.21Å; F179-L212 HydrophobicContact CE2-CD1 4.25Å; F179-L212 HydrophobicContact CE2-CD2 3.9Å; F179-L212 HydrophobicContact CE2-CG 4.12Å
180H95.3Very high94.6Very high94 Ų9442.7 Ų42.744%0.43521%0.212SC..Hα-helixtrans-58.6-43.1174.8-65.7-50.7000111.3S176 P177 V182 K183 D184S176-H180 PolarHBondContact O-CD2 3.39Å; S176-H180 VanDerWaalsContact O-CD2 3.24Å; S176-H180 PolarHBondContact O-N 2.66Å; P177-H180 PolarHBondContact O-N 3.43Å; H180-V182 PolarHBondContact O-N 3.01Å; H180-K183 PolarHBondContact O-N 3.5Å; H180-D184 VanDerWaalsContact O-CB 3.24Å; H180-D184 WeakPolarHBondContact O-CB 3.41Å; H180-D184 VanDerWaalsContact O-CG 3.23Å; H180-D184 PolarHBondContact O-N 3.21Å
181Y94.7Very high94.4Very high33 Ų3350.6 Ų50.613%0.12925%0.247CC..Hα-helixtrans-56.4-51.9171.8-179.6-84.7000112V36 R40 V41 T44 P177 M178 F179 K183 D184 E185V36-Y181 HydrophobicContact CB-CD1 4.43Å; V36-Y181 HydrophobicContact CB-CE1 4.35Å; V36-Y181 HydrophobicContact CG1-CD1 3.51Å; V36-Y181 HydrophobicContact CG1-CE1 3.77Å; V36-Y181 HydrophobicContact CG1-CG 4.49Å; V36-Y181 HydrophobicContact CG2-CD1 4.06Å; V36-Y181 HydrophobicContact CG2-CE1 3.78Å; R40-Y181 VanDerWaalsContact CD-OH 3.3Å; R40-Y181 WeakPolarHBondContact CD-OH 3.17Å; R40-Y181 HydrophobicContact CG-CE1 4.48Å; R40-Y181 HydrophobicContact CG-CE2 4.26Å; R40-Y181 WeakPolarHBondContact CG-OH 3.48Å; V41-Y181 HydrophobicContact CG2-CD1 4.13Å; V41-Y181 HydrophobicContact CG2-CD2 4.4Å; V41-Y181 HydrophobicContact CG2-CG 3.9Å; T44-Y181 HydrophobicContact CG2-CD2 4.04Å; T44-Y181 HydrophobicContact CG2-CE2 3.94Å; T44-Y181 WeakPolarHBondContact OG1-CE2 3.12Å; P177-Y181 PolarHBondContact O-N 3.2Å; M178-Y181 WeakPolarHBondContact O-CB 3.43Å; M178-Y181 PolarHBondContact O-N 2.88Å; F179-Y181 VanDerWaalsContact C-N 3.29Å; F179-Y181 PolarHBondContact O-N 3.37Å; Y181-K183 PolarHBondContact O-N 3.25Å; Y181-D184 PolarHBondContact O-N 3.11Å; Y181-E185 HydrophobicContact CD1-CG 4.49Å; Y181-E185 HydrophobicContact CD2-CG 3.88Å; Y181-E185 HydrophobicContact CE1-CB 4.29Å; Y181-E185 HydrophobicContact CE1-CG 4.32Å; Y181-E185 HydrophobicContact CE2-CB 4.49Å; Y181-E185 HydrophobicContact CE2-CG 3.68Å; Y181-E185 HydrophobicContact CG-CG 4.27Å; Y181-E185 VanDerWaalsContact O-CB 3.22Å; Y181-E185 WeakPolarHBondContact O-CB 3.47Å; Y181-E185 WeakPolarHBondContact O-CG 3.14Å; Y181-E185 PolarHBondContact O-N 3.15Å
182V94Very high94.2Very high9 Ų958.6 Ų58.66%0.05528%0.282CS..Hα-helixtrans-61.2-44.1180174.70000111.2I5 V7 V36 M178 F179 H180 L186 I188I5-V182 HydrophobicContact CD1-CG1 4.26Å; V7-V182 HydrophobicContact CG2-CG2 4.23Å; V36-V182 HydrophobicContact CB-CG2 4.26Å; V36-V182 HydrophobicContact CG1-CG2 4.05Å; V36-V182 HydrophobicContact CG2-CG2 3.97Å; M178-V182 VanDerWaalsContact O-CG2 3.27Å; M178-V182 WeakPolarHBondContact O-CG2 3.4Å; M178-V182 PolarHBondContact O-N 2.84Å; F179-V182 PolarHBondContact O-N 3.39Å; F179-V182 VanDerWaalsContact O-N 3.15Å; H180-V182 PolarHBondContact O-N 3.01Å; V182-L186 HydrophobicContact CG1-CD1 4.31Å; V182-L186 WeakPolarHBondContact O-CA 3.39Å; V182-L186 WeakPolarHBondContact O-CB 3.31Å; V182-L186 PolarHBondContact O-N 2.79Å; V182-I188 HydrophobicContact CG1-CD1 3.57Å; V182-I188 HydrophobicContact CG1-CG1 3.95Å; V182-I188 HydrophobicContact CG1-CG2 4.22Å
183K94.8Very high94.1Very high90 Ų9060.4 Ų60.439%0.39129%0.294SS..Hα-helixtrans-63.7-47.3179.2-176.9-177.4173.3-176.90111.6F179 H180 Y181 K187 I188F179-K183 HydrophobicContact CE1-CD 4.09Å; F179-K183 HydrophobicContact CZ-CD 4.3Å; F179-K183 VanDerWaalsContact O-CB 3.3Å; F179-K183 WeakPolarHBondContact O-CB 3.47Å; F179-K183 PolarHBondContact O-N 3.43Å; H180-K183 PolarHBondContact O-N 3.5Å; Y181-K183 PolarHBondContact O-N 3.25Å; K183-K187 WeakPolarHBondContact O-CA 3.49Å; K183-K187 PolarHBondContact O-N 3.45Å; K183-I188 HydrophobicContact CB-CG1 4.43Å
184D91.9Very high94.1Very high83 Ų8361.8 Ų61.844%0.44430%0.301SS..Hα-helixtrans-84-38.4-170.5-63.3-22.2000112.1H180 Y181 K187H180-D184 VanDerWaalsContact O-CB 3.24Å; H180-D184 WeakPolarHBondContact O-CB 3.41Å; H180-D184 VanDerWaalsContact O-CG 3.23Å; H180-D184 PolarHBondContact O-N 3.21Å; Y181-D184 PolarHBondContact O-N 3.11Å; D184-K187 VanDerWaalsContact O-CD 3.28Å; D184-K187 WeakPolarHBondContact O-CD 3.3Å; D184-K187 WeakPolarHBondContact O-CE 3.4Å; D184-K187 PolarHBondContact O-NZ 3.29Å
185E90.9Very high94.1Very high106 Ų10662 Ų6250%0.49530%0.302SS..Hα-helixtrans-84.4-39.1179.4-62.5-65.414100112Y181Y181-E185 HydrophobicContact CD1-CG 4.49Å; Y181-E185 HydrophobicContact CD2-CG 3.88Å; Y181-E185 HydrophobicContact CE1-CB 4.29Å; Y181-E185 HydrophobicContact CE1-CG 4.32Å; Y181-E185 HydrophobicContact CE2-CB 4.49Å; Y181-E185 HydrophobicContact CE2-CG 3.68Å; Y181-E185 HydrophobicContact CG-CG 4.27Å; Y181-E185 VanDerWaalsContact O-CB 3.22Å; Y181-E185 WeakPolarHBondContact O-CB 3.47Å; Y181-E185 WeakPolarHBondContact O-CG 3.14Å; Y181-E185 PolarHBondContact O-N 3.15Å
186L89.8Confident93.9Very high14 Ų1462.5 Ų62.57%0.07331%0.305CS..Hα-helixtrans-99.9-2-176-47-177.7000113.4R3 I5 N33 V36 V182 I188R3-L186 PolarHBondContact NH1-O 3.33Å; I5-L186 HydrophobicContact CB-CD1 4.47Å; I5-L186 HydrophobicContact CD1-CB 4.14Å; I5-L186 HydrophobicContact CD1-CD1 3.71Å; I5-L186 HydrophobicContact CG1-CD1 4.01Å; I5-L186 HydrophobicContact CG2-CD1 3.6Å; N33-L186 WeakPolarHBondContact O-CD2 3.27Å; V36-L186 HydrophobicContact CG2-CD1 3.73Å; V182-L186 HydrophobicContact CG1-CD1 4.31Å; V182-L186 WeakPolarHBondContact O-CA 3.39Å; V182-L186 WeakPolarHBondContact O-CB 3.31Å; V182-L186 PolarHBondContact O-N 2.79Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 HydrophobicContact CB-CG2 4.33Å; L186-I188 PolarHBondContact O-N 2.66Å
187K91.9Very high93.7Very high167 Ų16761.1 Ų61.173%0.72630%0.296SS*.  trans54.444.4173.2-54.6-58.1-174.2-163.30113.2K183 D184K183-K187 WeakPolarHBondContact O-CA 3.49Å; K183-K187 PolarHBondContact O-N 3.45Å; D184-K187 VanDerWaalsContact O-CD 3.28Å; D184-K187 WeakPolarHBondContact O-CD 3.3Å; D184-K187 WeakPolarHBondContact O-CE 3.4Å; D184-K187 PolarHBondContact O-NZ 3.29Å
188I92.4Very high93.4Very high27 Ų2761.8 Ų61.814%0.13830%0.298CS..  trans-80.7150178.366.2157.1000112.3I5 F179 V182 K183 L186 T193I5-I188 HydrophobicContact CD1-CG2 3.57Å; F179-I188 HydrophobicContact CE2-CD1 4.22Å; V182-I188 HydrophobicContact CG1-CD1 3.57Å; V182-I188 HydrophobicContact CG1-CG1 3.95Å; V182-I188 HydrophobicContact CG1-CG2 4.22Å; K183-I188 HydrophobicContact CB-CG1 4.43Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 HydrophobicContact CB-CG2 4.33Å; L186-I188 PolarHBondContact O-N 2.66Å; I188-T193 HydrophobicContact CD1-CG2 3.95Å
189D94Very high93.1Very high65 Ų6565.5 Ų65.535%0.34831%0.312SS..  trans-95.7114.2167.2179.3-3000109Q191 K192 T193D189-Q191 VanDerWaalsContact C-N 3.25Å; D189-Q191 PolarHBondContact O-N 3.49Å; D189-Q191 PolarHBondContact OD1-N 3.4Å; D189-Q191 VanDerWaalsContact OD1-N 3.12Å; D189-K192 HydrophobicContact CB-CB 4.28Å; D189-K192 HydrophobicContact CB-CG 4.46Å; D189-K192 CarbonylContact O-C 3.51Å; D189-K192 PolarHBondContact O-N 3.2Å; D189-K192 WeakPolarHBondContact OD2-CD 3.32Å; D189-K192 WeakPolarHBondContact OD2-CE 3.38Å; D189-T193 WeakPolarHBondContact O-CB 3.49Å; D189-T193 PolarHBondContact O-N 3.34Å; D189-T193 PolarHBondContact O-OG1 3.03Å
190P94.1Very high92.9Very high27 Ų2765 Ų6518%0.17531%0.31CS..G310 helixtrans-57.9-36.5-177.2-2536.3000113.2F179 K192 T193 L212F179-P190 HydrophobicContact CE2-CB 4.34Å; F179-P190 HydrophobicContact CE2-CG 4.13Å; F179-P190 HydrophobicContact CZ-CB 3.99Å; F179-P190 HydrophobicContact CZ-CG 3.54Å; P190-K192 PolarHBondContact O-N 3.34Å; P190-T193 PolarHBondContact O-N 2.88Å; P190-T193 VanDerWaalsContact O-N 3.15Å; P190-L212 HydrophobicContact CB-CD2 3.95Å
191Q93.8Very high92.6Very high181 Ų18162.4 Ų62.485%0.84630%0.302SS*.G310 helixtrans-68.4-18.5-179.5-63.6-175.7-2.100112.8D189D189-Q191 VanDerWaalsContact C-N 3.25Å; D189-Q191 PolarHBondContact O-N 3.49Å; D189-Q191 PolarHBondContact OD1-N 3.4Å; D189-Q191 VanDerWaalsContact OD1-N 3.12Å
192K93.5Very high92.4Very high168 Ų16861.8 Ų61.873%0.7330%0.301SS*.G310 helixtrans-110.413.3178.8-59.8-178-173.4175.90112.6D189 P190D189-K192 HydrophobicContact CB-CB 4.28Å; D189-K192 HydrophobicContact CB-CG 4.46Å; D189-K192 CarbonylContact O-C 3.51Å; D189-K192 PolarHBondContact O-N 3.2Å; D189-K192 WeakPolarHBondContact OD2-CD 3.32Å; D189-K192 WeakPolarHBondContact OD2-CE 3.38Å; P190-K192 PolarHBondContact O-N 3.34Å
193T94.4Very high92.4Very high39 Ų3961.6 Ų61.624%0.23930%0.3CS..  trans-119.3135.3-175-59.70000110.4I188 D189 P190 L212 A213I188-T193 HydrophobicContact CD1-CG2 3.95Å; D189-T193 WeakPolarHBondContact O-CB 3.49Å; D189-T193 PolarHBondContact O-N 3.34Å; D189-T193 PolarHBondContact O-OG1 3.03Å; P190-T193 PolarHBondContact O-N 2.88Å; P190-T193 VanDerWaalsContact O-N 3.15Å; T193-L212 HydrophobicContact CG2-CD2 3.76Å; T193-A213 PolarHBondContact O-N 3.46Å
194I94.4Very high92.4Very high46 Ų4657.3 Ų57.324%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-114.6130.4174.2-169.7168.2000109.5I196 A213 M215 F239I194-I196 HydrophobicContact CG2-CG1 4.44Å; I194-A213 CarbonylContact C-O 3.56Å; I194-A213 WeakPolarHBondContact CA-O 3.03Å; I194-A213 HydrophobicContact CB-CB 4.13Å; I194-A213 HydrophobicContact CD1-CB 4.39Å; I194-A213 HydrophobicContact CG1-CB 3.95Å; I194-M215 HydrophobicContact CD1-CB 3.91Å; I194-M215 HydrophobicContact CD1-CE 4.24Å; I194-M215 HydrophobicContact CG1-CB 4.38Å; I194-F239 HydrophobicContact CD1-CD2 4.29Å
195M94.7Very high92.5Very high18 Ų1855.9 Ų55.99%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-88.8126.2169.3178.362.6-173.200108.7K173 D203 F206 A207 L212 A213 S214 M215K173-M195 HydrophobicContact CD-CE 3.8Å; M195-D203 HydrophobicContact CE-CB 3.78Å; M195-D203 WeakPolarHBondContact CE-OD1 3.43Å; M195-F206 HydrophobicContact CE-CD1 4.5Å; M195-F206 HydrophobicContact CG-CD1 4.35Å; M195-F206 HydrophobicContact SD-CD1 4.2Å; M195-F206 HydrophobicContact SD-CE1 4.47Å; M195-A207 HydrophobicContact CB-CB 3.59Å; M195-A207 HydrophobicContact CG-CB 4.03Å; M195-L212 HydrophobicContact CB-CD1 4.17Å; M195-A213 PolarHBondContact N-O 3.07Å; M195-S214 WeakPolarHBondContact O-CA 3.36Å; M195-M215 PolarHBondContact O-N 3.41Å
196I93Very high92.8Very high60 Ų6051 Ų5131%0.30825%0.247SC..EExtended strand (participates in β ladder)trans-114126.2175.6-53.3164.2000107.7I194 M215 V217 L244 L247I194-I196 HydrophobicContact CG2-CG1 4.44Å; I196-M215 WeakPolarHBondContact CA-O 3.42Å; I196-M215 HydrophobicContact CG1-CB 4.23Å; I196-V217 HydrophobicContact CG2-CG1 3.61Å; I196-L244 HydrophobicContact CD1-CD2 4.42Å; I196-L244 HydrophobicContact CG2-CD2 3.68Å; I196-L247 HydrophobicContact CD1-CD1 3.6Å
197G91.6Very high93.1Very high8 Ų850.4 Ų50.48%0.08224%0.244CC..EExtended strand (participates in β ladder)trans-157.3169.9-177.500000112.7D203 M215 L216 V217G197-D203 WeakPolarHBondContact CA-OD2 3.45Å; G197-M215 PolarHBondContact N-O 2.87Å; G197-M215 VanDerWaalsContact N-O 3.13Å; G197-L216 CarbonylContact O-C 3.57Å; G197-L216 WeakPolarHBondContact O-CA 3.42Å; G197-V217 PolarHBondContact O-N 2.87Å
198D90.1Very high93.3Very high49 Ų4945.7 Ų45.726%0.26222%0.223SC..SBendtrans-113.9-2.6-172.972.9-57.6000112.7D203 V217 G220 N221 A222D198-D203 PolarHBondContact N-OD2 3.25Å; D198-D203 VanDerWaalsContact N-OD2 3.09Å; D198-V217 HydrophobicContact CB-CG2 3.78Å; D198-G220 WeakPolarHBondContact OD2-CA 3.42Å; D198-N221 PolarHBondContact OD2-N 3.04Å; D198-N221 PolarHBondContact OD2-ND2 3.42Å; D198-A222 WeakPolarHBondContact O-CA 3.31Å; D198-A222 WeakPolarHBondContact O-CB 3.46Å; D198-A222 PolarHBondContact O-N 3.2Å
199W89.9Confident93.4Very high78 Ų7849.5 Ų49.530%0.29524%0.236SC..  trans-131.3109.5-179.9-165.4-124.8000112.2P201 T202 D203 N221 H226W199-P201 HydrophobicContact CZ2-CG 4.23Å; W199-T202 PolarHBondContact O-N 2.93Å; W199-T202 PolarHBondContact O-OG1 3.5Å; W199-T202 VanDerWaalsContact O-OG1 3.11Å; W199-D203 PolarHBondContact N-OD2 3.42Å; W199-D203 PolarHBondContact O-N 3.16Å; W199-N221 HydrophobicContact CB-CB 4.46Å; W199-N221 HydrophobicContact CD2-CB 3.89Å; W199-N221 HydrophobicContact CE3-CB 3.27Å; W199-N221 HydrophobicContact CG-CB 4.41Å; W199-N221 HydrophobicContact CZ3-CB 3.78Å; W199-N221 VanDerWaalsContact CZ3-O 3.32Å; W199-N221 WeakPolarHBondContact CZ3-O 3.49Å; W199-H226 AromaticContact CH2-NE2 3.74Å; W199-H226 AromaticContact CZ3-CE1 3.64Å; W199-H226 AromaticContact CZ3-NE2 3.69Å
200P91Very high93.5Very high2 Ų247.1 Ų47.11%0.01322%0.223CC..Iπ-helixtrans-58.8-43.9-173.6-1825000115.6T202 I204 R205 L216 H226 T235P200-T202 PolarHBondContact O-N 2.98Å; P200-T202 VanDerWaalsContact O-N 3.09Å; P200-I204 HydrophobicContact CB-CB 4.26Å; P200-I204 HydrophobicContact CB-CG1 4.11Å; P200-I204 PolarHBondContact O-N 3.42Å; P200-R205 PolarHBondContact O-N 3.41Å; P200-L216 HydrophobicContact CG-CD1 3.85Å; P200-L216 HydrophobicContact CG-CD2 4.1Å; P200-H226 HydrophobicContact CG-CB 3.93Å; P200-T235 HydrophobicContact CB-CG2 4.33Å
201P90.3Very high93.6Very high40 Ų4048.3 Ų48.326%0.2624%0.24SC..Iπ-helixtrans-60.1-21.6-179.9-26.736.2000114.7W199 R205W199-P201 HydrophobicContact CZ2-CG 4.23Å; P201-R205 WeakPolarHBondContact O-CB 3.21Å; P201-R205 WeakPolarHBondContact O-CD 3.31Å
202T90Very high93.7Very high20 Ų2040.3 Ų40.312%0.12320%0.203CC..Iπ-helixtrans-106.3-63.4177.852.40000111.2W199 P200 F206W199-T202 PolarHBondContact O-N 2.93Å; W199-T202 PolarHBondContact O-OG1 3.5Å; W199-T202 VanDerWaalsContact O-OG1 3.11Å; P200-T202 PolarHBondContact O-N 2.98Å; P200-T202 VanDerWaalsContact O-N 3.09Å; T202-F206 WeakPolarHBondContact O-CB 3.47Å; T202-F206 PolarHBondContact O-N 3.47Å
203D93.5Very high93.8Very high5 Ų533.9 Ų33.93%0.02718%0.181CC..Iπ-helixtrans-75.4-47.9-168-61.8-46.8000113.1K173 M195 G197 D198 W199 F206 A207K173-D203 WeakPolarHBondContact CE-OD1 3.42Å; K173-D203 IonicContact NZ-OD1 2.79Å; K173-D203 PolarHBondContact NZ-OD1 3.4Å; M195-D203 HydrophobicContact CE-CB 3.78Å; M195-D203 WeakPolarHBondContact CE-OD1 3.43Å; G197-D203 WeakPolarHBondContact CA-OD2 3.45Å; D198-D203 PolarHBondContact N-OD2 3.25Å; D198-D203 VanDerWaalsContact N-OD2 3.09Å; W199-D203 PolarHBondContact N-OD2 3.42Å; W199-D203 PolarHBondContact O-N 3.16Å; D203-F206 WeakPolarHBondContact O-CB 3.37Å; D203-F206 PolarHBondContact O-N 3.48Å; D203-A207 PolarHBondContact O-N 3.21Å
204I94.7Very high93.8Very high0 Ų032 Ų320%017%0.17CC..Iπ-helixtrans-71.3-43.4-178.8-56.2-57.4000109.6P200 F206 A207 K208 L216 E234 A237P200-I204 HydrophobicContact CB-CB 4.26Å; P200-I204 HydrophobicContact CB-CG1 4.11Å; P200-I204 PolarHBondContact O-N 3.42Å; I204-F206 VanDerWaalsContact C-N 3.32Å; I204-F206 PolarHBondContact O-N 3.44Å; I204-A207 VanDerWaalsContact O-CB 3.32Å; I204-A207 WeakPolarHBondContact O-CB 3.16Å; I204-A207 PolarHBondContact O-N 3.25Å; I204-K208 HydrophobicContact CG2-CG 4.41Å; I204-K208 WeakPolarHBondContact O-CG 3.32Å; I204-K208 PolarHBondContact O-N 3.2Å; I204-L216 HydrophobicContact CD1-CB 4.13Å; I204-L216 HydrophobicContact CD1-CD1 4.17Å; I204-L216 HydrophobicContact CG1-CD1 3.93Å; I204-E234 CarbonylContact C-O 3.52Å; I204-A237 HydrophobicContact CD1-CB 3.7Å; I204-A237 HydrophobicContact CG1-CB 4.12Å; I204-A237 HydrophobicContact CG2-CB 4.14Å
205R95.2Very high93.8Very high54 Ų5430.4 Ų30.420%0.20416%0.161CC..Hα-helixtrans-59.9-41173.2-173.1175.6-75.1168-3.9112.5P174 P200 P201 A207 K208 R209 D232 E234P174-R205 HydrophobicContact CB-CB 3.88Å; P174-R205 HydrophobicContact CB-CG 3.76Å; P174-R205 HydrophobicContact CG-CG 4.39Å; P200-R205 PolarHBondContact O-N 3.41Å; P201-R205 WeakPolarHBondContact O-CB 3.21Å; P201-R205 WeakPolarHBondContact O-CD 3.31Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 3.07Å; R205-K208 PolarHBondContact O-N 3.3Å; R205-R209 HydrophobicContact CG-CG 4.46Å; R205-R209 WeakPolarHBondContact O-CB 3.26Å; R205-R209 VanDerWaalsContact O-CG 3.26Å; R205-R209 WeakPolarHBondContact O-CG 3.32Å; R205-R209 PolarHBondContact O-N 2.93Å; R205-D232 IonicContact CZ-OD2 3.91Å; R205-D232 IonicContact NH2-OD2 2.69Å; R205-D232 PolarHBondContact NH2-OD2 2.77Å; R205-E234 WeakPolarHBondContact CA-O 3.3Å; R205-E234 HydrophobicContact CG-CB 4Å; R205-E234 PolarHBondContact N-O 3.45Å; R205-E234 IonicContact NE-OE2 3.36Å
206F96.6Very high93.7Very high4 Ų429.6 Ų29.62%0.01816%0.158CC..Hα-helixtrans-58.9-44.7172178.5-104.6000111.8K173 H175 M178 F179 M195 T202 D203 I204 N210 L212K173-F206 HydrophobicContact CB-CB 4.1Å; K173-F206 HydrophobicContact CB-CD2 4.14Å; K173-F206 HydrophobicContact CB-CG 4.23Å; K173-F206 HydrophobicContact CD-CB 4.43Å; K173-F206 HydrophobicContact CD-CD1 4.29Å; K173-F206 HydrophobicContact CD-CG 4.24Å; K173-F206 HydrophobicContact CG-CB 4.08Å; K173-F206 HydrophobicContact CG-CD1 4.19Å; K173-F206 HydrophobicContact CG-CD2 3.73Å; K173-F206 HydrophobicContact CG-CE2 4.11Å; K173-F206 HydrophobicContact CG-CG 3.75Å; K173-F206 HydrophobicContact CG-CZ 4.49Å; H175-F206 WeakPolarHBondContact O-CE2 3.42Å; M178-F206 HydrophobicContact CB-CE2 4.09Å; M178-F206 HydrophobicContact CB-CZ 4.39Å; M178-F206 HydrophobicContact CG-CE2 4.33Å; M178-F206 HydrophobicContact CG-CZ 4.21Å; F179-F206 HydrophobicContact CB-CE2 3.74Å; F179-F206 HydrophobicContact CB-CZ 3.57Å; M195-F206 HydrophobicContact CE-CD1 4.5Å; M195-F206 HydrophobicContact CG-CD1 4.35Å; M195-F206 HydrophobicContact SD-CD1 4.2Å; M195-F206 HydrophobicContact SD-CE1 4.47Å; T202-F206 WeakPolarHBondContact O-CB 3.47Å; T202-F206 PolarHBondContact O-N 3.47Å; D203-F206 WeakPolarHBondContact O-CB 3.37Å; D203-F206 PolarHBondContact O-N 3.48Å; I204-F206 VanDerWaalsContact C-N 3.32Å; I204-F206 PolarHBondContact O-N 3.44Å; F206-N210 WeakPolarHBondContact O-CB 3.49Å; F206-N210 PolarHBondContact O-N 2.93Å; F206-N210 PolarHBondContact O-ND2 2.89Å; F206-L212 HydrophobicContact CE1-CD1 4.28Å
207A96.9Very high93.6Very high0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-61.5-51.917900000111.6M195 D203 I204 R205 R209 N210 G211 L212M195-A207 HydrophobicContact CB-CB 3.59Å; M195-A207 HydrophobicContact CG-CB 4.03Å; D203-A207 PolarHBondContact O-N 3.21Å; I204-A207 VanDerWaalsContact O-CB 3.32Å; I204-A207 WeakPolarHBondContact O-CB 3.16Å; I204-A207 PolarHBondContact O-N 3.25Å; R205-A207 VanDerWaalsContact C-N 3.33Å; R205-A207 PolarHBondContact O-N 3.07Å; A207-R209 PolarHBondContact O-N 3.5Å; A207-N210 CarbonylContact O-C 3.52Å; A207-N210 PolarHBondContact O-N 3.22Å; A207-G211 PolarHBondContact O-N 3.26Å; A207-G211 VanDerWaalsContact O-N 3.09Å; A207-L212 HydrophobicContact CB-CB 4.03Å; A207-L212 PolarHBondContact O-N 3.21Å
208K95.1Very high93.5Very high69 Ų6928.7 Ų28.730%0.315%0.152SC..Hα-helixtrans-59.6-46.8-179-68-57.2-173.6-173.90112.5I204 R205 N210 G211 T236 D238I204-K208 HydrophobicContact CG2-CG 4.41Å; I204-K208 WeakPolarHBondContact O-CG 3.32Å; I204-K208 PolarHBondContact O-N 3.2Å; R205-K208 PolarHBondContact O-N 3.3Å; K208-N210 PolarHBondContact O-N 2.81Å; K208-G211 PolarHBondContact O-N 2.84Å; K208-T236 WeakPolarHBondContact CE-O 3.39Å; K208-D238 IonicContact NZ-OD1 3.78Å; K208-D238 PolarHBondContact NZ-OD1 3.21Å; K208-D238 IonicContact NZ-OD2 2.61Å; K208-D238 PolarHBondContact NZ-OD2 3.37Å
209R95.3Very high93.2Very high106 Ų10630.3 Ų30.340%0.417%0.167SC..Hα-helixtrans-62.8-24.4179.9-74.3175.9176.7-170.4-4.4113.9P174 R205 A207 E234P174-R209 WeakPolarHBondContact O-CD 3.42Å; R205-R209 HydrophobicContact CG-CG 4.46Å; R205-R209 WeakPolarHBondContact O-CB 3.26Å; R205-R209 VanDerWaalsContact O-CG 3.26Å; R205-R209 WeakPolarHBondContact O-CG 3.32Å; R205-R209 PolarHBondContact O-N 2.93Å; A207-R209 PolarHBondContact O-N 3.5Å; R209-E234 IonicContact CZ-OE2 3.1Å; R209-E234 IonicContact NE-OE1 3.09Å; R209-E234 IonicContact NE-OE2 3.06Å; R209-E234 PolarHBondContact NE-OE2 3.39Å; R209-E234 IonicContact NH2-OE2 2.68Å; R209-E234 PolarHBondContact NH2-OE2 3.14Å
210N96.2Very high92.8Very high16 Ų1628.3 Ų28.39%0.08617%0.171CC..THydrogen-bonded Turntrans-11211.6-175.5-63-65.6000113.3S176 F179 F206 A207 K208 L212S176-N210 WeakPolarHBondContact CB-OD1 3.12Å; S176-N210 PolarHBondContact OG-OD1 3.48Å; F179-N210 HydrophobicContact CB-CB 3.98Å; F179-N210 WeakPolarHBondContact CB-OD1 3.21Å; F179-N210 HydrophobicContact CD1-CB 3.61Å; F179-N210 WeakPolarHBondContact CD1-OD1 3.29Å; F179-N210 HydrophobicContact CD2-CB 3.59Å; F179-N210 HydrophobicContact CE1-CB 3.83Å; F179-N210 HydrophobicContact CE2-CB 3.82Å; F179-N210 HydrophobicContact CG-CB 3.45Å; F179-N210 VanDerWaalsContact CG-CB 3.45Å; F179-N210 WeakPolarHBondContact CG-OD1 3.49Å; F179-N210 HydrophobicContact CZ-CB 3.89Å; F179-N210 WeakPolarHBondContact CZ-O 3.24Å; F206-N210 WeakPolarHBondContact O-CB 3.49Å; F206-N210 PolarHBondContact O-N 2.93Å; F206-N210 PolarHBondContact O-ND2 2.89Å; A207-N210 CarbonylContact O-C 3.52Å; A207-N210 PolarHBondContact O-N 3.22Å; K208-N210 PolarHBondContact O-N 2.81Å; N210-L212 VanDerWaalsContact C-N 3.33Å; N210-L212 PolarHBondContact O-N 2.88Å
211G95Very high92.3Very high51 Ų5132 Ų3253%0.52619%0.19SC..THydrogen-bonded Turntrans67.929175.500000114.3A207 K208A207-G211 PolarHBondContact O-N 3.26Å; A207-G211 VanDerWaalsContact O-N 3.09Å; K208-G211 PolarHBondContact O-N 2.84Å
212L96.1Very high91.9Very high13 Ų1330.3 Ų30.37%0.06818%0.18CC..  trans-91.9147.3174.6-59.4179000110.2F179 P190 T193 M195 F206 A207 N210F179-L212 HydrophobicContact CD2-CD1 4.21Å; F179-L212 HydrophobicContact CE2-CD1 4.25Å; F179-L212 HydrophobicContact CE2-CD2 3.9Å; F179-L212 HydrophobicContact CE2-CG 4.12Å; P190-L212 HydrophobicContact CB-CD2 3.95Å; T193-L212 HydrophobicContact CG2-CD2 3.76Å; M195-L212 HydrophobicContact CB-CD1 4.17Å; F206-L212 HydrophobicContact CE1-CD1 4.28Å; A207-L212 HydrophobicContact CB-CB 4.03Å; A207-L212 PolarHBondContact O-N 3.21Å; N210-L212 VanDerWaalsContact C-N 3.33Å; N210-L212 PolarHBondContact O-N 2.88Å
213A96.1Very high91.6Very high33 Ų3332.5 Ų32.527%0.27319%0.193SC..EExtended strand (participates in β ladder)trans-63150.8161.200000109.2T193 I194 M195T193-A213 PolarHBondContact O-N 3.46Å; I194-A213 CarbonylContact C-O 3.56Å; I194-A213 WeakPolarHBondContact CA-O 3.03Å; I194-A213 HydrophobicContact CB-CB 4.13Å; I194-A213 HydrophobicContact CD1-CB 4.39Å; I194-A213 HydrophobicContact CG1-CB 3.95Å; M195-A213 PolarHBondContact N-O 3.07Å
214S95Very high91.3Very high0 Ų036.7 Ų36.70%022%0.215CC..EExtended strand (participates in β ladder)trans-130.8134.6-174.161.80000112.6M195 A237 D238 F239M195-S214 WeakPolarHBondContact O-CA 3.36Å; S214-A237 WeakPolarHBondContact OG-CA 3.38Å; S214-D238 PolarHBondContact N-OD2 3.12Å; S214-D238 WeakPolarHBondContact O-CB 3.39Å; S214-D238 PolarHBondContact O-N 3.4Å; S214-D238 VanDerWaalsContact O-N 3.11Å; S214-D238 PolarHBondContact OG-N 3.06Å; S214-D238 PolarHBondContact OG-OD2 3.26Å; S214-F239 PolarHBondContact O-N 2.97Å
215M93.8Very high90.9Very high12 Ų1241.8 Ų41.86%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-129124.6173.8-179.7177.9-73.300110.2I194 M195 I196 G197 F239 L247 F256I194-M215 HydrophobicContact CD1-CB 3.91Å; I194-M215 HydrophobicContact CD1-CE 4.24Å; I194-M215 HydrophobicContact CG1-CB 4.38Å; M195-M215 PolarHBondContact O-N 3.41Å; I196-M215 WeakPolarHBondContact CA-O 3.42Å; I196-M215 HydrophobicContact CG1-CB 4.23Å; G197-M215 PolarHBondContact N-O 2.87Å; G197-M215 VanDerWaalsContact N-O 3.13Å; M215-F239 CarbonylContact C-O 3.5Å; M215-F239 VanDerWaalsContact CA-O 3.29Å; M215-F239 WeakPolarHBondContact CA-O 3.45Å; M215-F239 HydrophobicContact CB-CB 4.24Å; M215-F239 HydrophobicContact CE-CB 3.83Å; M215-F239 HydrophobicContact CE-CG 4.33Å; M215-F239 HydrophobicContact CG-CB 4.12Å; M215-L247 HydrophobicContact CE-CD2 4.17Å; M215-L247 HydrophobicContact SD-CD1 4.16Å; M215-L247 HydrophobicContact SD-CD2 3.94Å; M215-L247 HydrophobicContact SD-CG 4.38Å; M215-F256 HydrophobicContact CE-CE1 4.16Å; M215-F256 HydrophobicContact CE-CZ 3.95Å
216L92.8Very high90.4Very high1 Ų141.9 Ų41.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-91.3127.3176.7-170.868.3000110.8G197 P200 I204 L218 A222 A227 A237 F239 Y240 C241G197-L216 CarbonylContact O-C 3.57Å; G197-L216 WeakPolarHBondContact O-CA 3.42Å; P200-L216 HydrophobicContact CG-CD1 3.85Å; P200-L216 HydrophobicContact CG-CD2 4.1Å; I204-L216 HydrophobicContact CD1-CB 4.13Å; I204-L216 HydrophobicContact CD1-CD1 4.17Å; I204-L216 HydrophobicContact CG1-CD1 3.93Å; L216-L218 HydrophobicContact CD2-CD2 4.13Å; L216-L218 HydrophobicContact CG-CD2 4.36Å; L216-A222 HydrophobicContact CD1-CB 3.76Å; L216-A222 HydrophobicContact CD2-CB 3.86Å; L216-A222 HydrophobicContact CG-CB 3.91Å; L216-A227 HydrophobicContact CD2-CB 4Å; L216-A237 HydrophobicContact CB-CB 3.78Å; L216-F239 PolarHBondContact N-O 3.44Å; L216-Y240 CarbonylContact O-C 3.43Å; L216-Y240 WeakPolarHBondContact O-CA 3.17Å; L216-Y240 WeakPolarHBondContact O-CB 3.45Å; L216-C241 PolarHBondContact O-N 3.1Å
217V90.9Very high89.6Confident9 Ų942.6 Ų42.66%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-98.7131.1170.8-60.70000110.3I196 G197 D198 S219 C241 L244I196-V217 HydrophobicContact CG2-CG1 3.61Å; G197-V217 PolarHBondContact O-N 2.87Å; D198-V217 HydrophobicContact CB-CG2 3.78Å; V217-S219 VanDerWaalsContact C-N 3.27Å; V217-S219 PolarHBondContact O-N 3.05Å; V217-C241 WeakPolarHBondContact CA-O 3.45Å; V217-L244 HydrophobicContact CG1-CD2 4.13Å; V217-L244 HydrophobicContact CG1-CG 4.29Å
218L88.8Confident88.9Confident41 Ų4148.1 Ų48.122%0.21527%0.274CS..THydrogen-bonded Turntrans-87.46.2-177-55.5-177.5000113.4L216 G220 A222 I224 A227 Y240 C241 E242L216-L218 HydrophobicContact CD2-CD2 4.13Å; L216-L218 HydrophobicContact CG-CD2 4.36Å; L218-G220 VanDerWaalsContact C-N 3.29Å; L218-G220 PolarHBondContact O-N 3.42Å; L218-A222 HydrophobicContact CD2-CB 4.26Å; L218-I224 HydrophobicContact CD1-CB 4.32Å; L218-I224 HydrophobicContact CD1-CG1 4.45Å; L218-A227 HydrophobicContact CD2-CB 4.45Å; L218-Y240 HydrophobicContact CD1-CD2 4.05Å; L218-C241 PolarHBondContact N-O 3.06Å; L218-E242 CarbonylContact C-O 3.53Å
219S83.7Confident88.5Confident82 Ų8251.5 Ų51.557%0.57329%0.288SS*.THydrogen-bonded Turntrans-82.5-2.2178.760.40000114.3V217 E242V217-S219 VanDerWaalsContact C-N 3.27Å; V217-S219 PolarHBondContact O-N 3.05Å; S219-E242 WeakPolarHBondContact CB-O 3.18Å; S219-E242 PolarHBondContact N-O 3.39Å; S219-E242 VanDerWaalsContact N-O 3.14Å
220G81.7Confident87.8Confident37 Ų3748.6 Ų48.638%0.38128%0.283SS..SBendtrans-121.2-133.6-176.400000112.6D198 L218D198-G220 WeakPolarHBondContact OD2-CA 3.42Å; L218-G220 VanDerWaalsContact C-N 3.29Å; L218-G220 PolarHBondContact O-N 3.42Å
221N80.5Confident87.1Confident78 Ų7856.5 Ų56.542%0.41732%0.319SS..SBendtrans-74.3-26-175.1-65.4-43.5000113.6D198 W199D198-N221 PolarHBondContact OD2-N 3.04Å; D198-N221 PolarHBondContact OD2-ND2 3.42Å; W199-N221 HydrophobicContact CB-CB 4.46Å; W199-N221 HydrophobicContact CD2-CB 3.89Å; W199-N221 HydrophobicContact CE3-CB 3.27Å; W199-N221 HydrophobicContact CG-CB 4.41Å; W199-N221 HydrophobicContact CZ3-CB 3.78Å; W199-N221 VanDerWaalsContact CZ3-O 3.32Å; W199-N221 WeakPolarHBondContact CZ3-O 3.49Å
222A81.8Confident86.8Confident6 Ų656.7 Ų56.75%0.0531%0.309CS..  trans-67.6150.7178.100000112.6D198 L216 L218D198-A222 WeakPolarHBondContact O-CA 3.31Å; D198-A222 WeakPolarHBondContact O-CB 3.46Å; D198-A222 PolarHBondContact O-N 3.2Å; L216-A222 HydrophobicContact CD1-CB 3.76Å; L216-A222 HydrophobicContact CD2-CB 3.86Å; L216-A222 HydrophobicContact CG-CB 3.91Å; L218-A222 HydrophobicContact CD2-CB 4.26Å
223T84.9Confident86.5Confident66 Ų6667 Ų6741%0.40535%0.346SS..  trans-114.9164.6172.666.80000108.8E225 H226 A227T223-E225 PolarHBondContact O-N 2.85Å; T223-E225 PolarHBondContact OG1-N 3.25Å; T223-H226 PolarHBondContact N-ND1 2.84Å; T223-H226 WeakPolarHBondContact O-CB 3.43Å; T223-H226 PolarHBondContact O-N 2.97Å; T223-H226 VanDerWaalsContact O-N 3.1Å; T223-H226 PolarHBondContact OG1-N 3.32Å; T223-H226 PolarHBondContact OG1-ND1 3.35Å; T223-A227 PolarHBondContact O-N 3.06Å
224I85.6Confident86.3Confident92 Ų9269.2 Ų69.247%0.47235%0.351SS..Hα-helixtrans-57.7-29.9172.1-164.5168.8000111.9L218 A227 Q228L218-I224 HydrophobicContact CD1-CB 4.32Å; L218-I224 HydrophobicContact CD1-CG1 4.45Å; I224-A227 WeakPolarHBondContact O-CB 3.49Å; I224-A227 PolarHBondContact O-N 3.36Å; I224-A227 VanDerWaalsContact O-N 3.14Å; I224-Q228 HydrophobicContact CG1-CG 4.16Å; I224-Q228 WeakPolarHBondContact O-CB 3.27Å; I224-Q228 WeakPolarHBondContact O-CG 3.44Å; I224-Q228 PolarHBondContact O-N 2.89Å
225E86Confident86.1Confident108 Ų10869.6 Ų69.651%0.50535%0.354SS..Hα-helixtrans-69-37178.4-160.2160.1-144.500111.7T223 A227 Q228 K229T223-E225 PolarHBondContact O-N 2.85Å; T223-E225 PolarHBondContact OG1-N 3.25Å; E225-A227 PolarHBondContact O-N 3.4Å; E225-Q228 PolarHBondContact O-N 3.43Å; E225-K229 HydrophobicContact CG-CB 4.37Å; E225-K229 HydrophobicContact CG-CD 4.09Å; E225-K229 CarbonylContact O-C 3.45Å; E225-K229 WeakPolarHBondContact O-CA 3.31Å; E225-K229 PolarHBondContact O-N 3.07Å; E225-K229 IonicContact OE1-NZ 2.87Å; E225-K229 PolarHBondContact OE1-NZ 2.91Å
226H84.7Confident86.1Confident55 Ų5571.4 Ų71.426%0.25537%0.366SS..Hα-helixtrans-59.5-34.5170.2-68.7105.6000112.7W199 P200 T223W199-H226 AromaticContact CH2-NE2 3.74Å; W199-H226 AromaticContact CZ3-CE1 3.64Å; W199-H226 AromaticContact CZ3-NE2 3.69Å; P200-H226 HydrophobicContact CG-CB 3.93Å; T223-H226 PolarHBondContact N-ND1 2.84Å; T223-H226 WeakPolarHBondContact O-CB 3.43Å; T223-H226 PolarHBondContact O-N 2.97Å; T223-H226 VanDerWaalsContact O-N 3.1Å; T223-H226 PolarHBondContact OG1-N 3.32Å; T223-H226 PolarHBondContact OG1-ND1 3.35Å
227A79.9Confident86.2Confident19 Ų1972.4 Ų72.416%0.15737%0.374CS..Hα-helixtrans-76.4-40.7178.200000112.5L216 L218 T223 I224 E225 Y240L216-A227 HydrophobicContact CD2-CB 4Å; L218-A227 HydrophobicContact CD2-CB 4.45Å; T223-A227 PolarHBondContact O-N 3.06Å; I224-A227 WeakPolarHBondContact O-CB 3.49Å; I224-A227 PolarHBondContact O-N 3.36Å; I224-A227 VanDerWaalsContact O-N 3.14Å; E225-A227 PolarHBondContact O-N 3.4Å; A227-Y240 HydrophobicContact CB-CD1 4.12Å; A227-Y240 HydrophobicContact CB-CD2 4.39Å; A227-Y240 HydrophobicContact CB-CG 3.98Å
228Q84Confident86.3Confident117 Ų11775.6 Ų75.655%0.54739%0.391SS..Hα-helixtrans-91.3-25.2-171.6-68.7-179-17.800114.1I224 E225I224-Q228 HydrophobicContact CG1-CG 4.16Å; I224-Q228 WeakPolarHBondContact O-CB 3.27Å; I224-Q228 WeakPolarHBondContact O-CG 3.44Å; I224-Q228 PolarHBondContact O-N 2.89Å; E225-Q228 PolarHBondContact O-N 3.43Å
229K85.7Confident86.5Confident140 Ų14077 Ų7761%0.60940%0.395SS*.SBendtrans-134.565-178.8-60.2-178.5-164.8159.40110.4E225E225-K229 HydrophobicContact CG-CB 4.37Å; E225-K229 HydrophobicContact CG-CD 4.09Å; E225-K229 CarbonylContact O-C 3.45Å; E225-K229 WeakPolarHBondContact O-CA 3.31Å; E225-K229 PolarHBondContact O-N 3.07Å; E225-K229 IonicContact OE1-NZ 2.87Å; E225-K229 PolarHBondContact OE1-NZ 2.91Å
230P80.9Confident86.9Confident44 Ų4479 Ų7929%0.28639%0.391SS..  trans-63139.7179.328.3-35.1000110.7D232 T236P230-D232 VanDerWaalsContact C-N 3.3Å; P230-D232 PolarHBondContact O-N 3.19Å; P230-T236 VanDerWaalsContact CB-OG1 3.3Å; P230-T236 WeakPolarHBondContact CB-OG1 3.37Å; P230-T236 HydrophobicContact CG-CG2 3.97Å; P230-T236 WeakPolarHBondContact CG-OG1 3.44Å
231E81Confident87.3Confident182 Ų18278 Ų7885%0.8538%0.378SS*.SBendtrans-66.7-33.2178.9-64.3-179.1172.200112
232D89.3Confident87.6Confident56 Ų5681.6 Ų81.630%0.29939%0.392SS..SBendtrans-144.7169178.671.243.1000112.5R205 P230 E234 T235 T236R205-D232 IonicContact CZ-OD2 3.91Å; R205-D232 IonicContact NH2-OD2 2.69Å; R205-D232 PolarHBondContact NH2-OD2 2.77Å; P230-D232 VanDerWaalsContact C-N 3.3Å; P230-D232 PolarHBondContact O-N 3.19Å; D232-E234 VanDerWaalsContact C-N 3.31Å; D232-E234 PolarHBondContact O-N 3.28Å; D232-E234 VanDerWaalsContact OD1-CA 3.31Å; D232-E234 WeakPolarHBondContact OD1-CA 3.36Å; D232-E234 WeakPolarHBondContact OD1-CB 3.42Å; D232-E234 PolarHBondContact OD1-N 2.81Å; D232-T235 PolarHBondContact N-OG1 3.43Å; D232-T235 PolarHBondContact O-N 2.93Å; D232-T235 PolarHBondContact O-OG1 3.39Å; D232-T235 WeakPolarHBondContact OD1-CB 3.37Å; D232-T235 WeakPolarHBondContact OD1-CG2 3.49Å; D232-T235 PolarHBondContact OD1-N 3.34Å; D232-T235 PolarHBondContact OD1-OG1 3.49Å; D232-T236 PolarHBondContact O-N 3.05Å; D232-T236 PolarHBondContact O-OG1 3.3Å
233R90.5Very high87.7Confident228 Ų22883 Ų8386%0.8640%0.402SS*.THydrogen-bonded Turntrans-68.4-27178.8-69.2-175179.1-178.1-0.2113.7T235R233-T235 PolarHBondContact O-N 2.91Å
234E90.9Very high87.3Confident80 Ų8083.9 Ų83.937%0.37440%0.403SS..THydrogen-bonded Turntrans-75.2-17.6179.1-58.2-161.215200112.1I204 R205 R209 D232I204-E234 CarbonylContact C-O 3.52Å; R205-E234 WeakPolarHBondContact CA-O 3.3Å; R205-E234 HydrophobicContact CG-CB 4Å; R205-E234 PolarHBondContact N-O 3.45Å; R205-E234 IonicContact NE-OE2 3.36Å; R209-E234 IonicContact CZ-OE2 3.1Å; R209-E234 IonicContact NE-OE1 3.09Å; R209-E234 IonicContact NE-OE2 3.06Å; R209-E234 PolarHBondContact NE-OE2 3.39Å; R209-E234 IonicContact NH2-OE2 2.68Å; R209-E234 PolarHBondContact NH2-OE2 3.14Å; D232-E234 VanDerWaalsContact C-N 3.31Å; D232-E234 PolarHBondContact O-N 3.28Å; D232-E234 VanDerWaalsContact OD1-CA 3.31Å; D232-E234 WeakPolarHBondContact OD1-CA 3.36Å; D232-E234 WeakPolarHBondContact OD1-CB 3.42Å; D232-E234 PolarHBondContact OD1-N 2.81Å
235T91.7Very high86.8Confident9 Ų985.9 Ų85.96%0.05541%0.409CS..SBendtrans-102.8-0178.952.20000113.1P200 D232 R233 A237P200-T235 HydrophobicContact CB-CG2 4.33Å; D232-T235 PolarHBondContact N-OG1 3.43Å; D232-T235 PolarHBondContact O-N 2.93Å; D232-T235 PolarHBondContact O-OG1 3.39Å; D232-T235 WeakPolarHBondContact OD1-CB 3.37Å; D232-T235 WeakPolarHBondContact OD1-CG2 3.49Å; D232-T235 PolarHBondContact OD1-N 3.34Å; D232-T235 PolarHBondContact OD1-OG1 3.49Å; R233-T235 PolarHBondContact O-N 2.91Å; T235-A237 PolarHBondContact O-N 3.16Å
236T93.7Very high86.1Confident50 Ų5083.3 Ų83.331%0.30740%0.401SS..  trans-80.9114.7175.6-52.70000110.6K208 P230 D232K208-T236 WeakPolarHBondContact CE-O 3.39Å; P230-T236 VanDerWaalsContact CB-OG1 3.3Å; P230-T236 WeakPolarHBondContact CB-OG1 3.37Å; P230-T236 HydrophobicContact CG-CG2 3.97Å; P230-T236 WeakPolarHBondContact CG-OG1 3.44Å; D232-T236 PolarHBondContact O-N 3.05Å; D232-T236 PolarHBondContact O-OG1 3.3Å
237A93.3Very high85.3Confident22 Ų2282.9 Ų82.918%0.18240%0.4CS..  trans-75.3151.1177.600000112I204 S214 L216 T235 F239I204-A237 HydrophobicContact CD1-CB 3.7Å; I204-A237 HydrophobicContact CG1-CB 4.12Å; I204-A237 HydrophobicContact CG2-CB 4.14Å; S214-A237 WeakPolarHBondContact OG-CA 3.38Å; L216-A237 HydrophobicContact CB-CB 3.78Å; T235-A237 PolarHBondContact O-N 3.16Å; A237-F239 VanDerWaalsContact C-N 3.34Å; A237-F239 VanDerWaalsContact CB-O 3.31Å; A237-F239 WeakPolarHBondContact CB-O 3.38Å
238D93.4Very high84.4Confident76 Ų7687 Ų8741%0.40643%0.427SS..SBendtrans-73-33.5173.7-57.8-64.4000111.2K208 S214K208-D238 IonicContact NZ-OD1 3.78Å; K208-D238 PolarHBondContact NZ-OD1 3.21Å; K208-D238 IonicContact NZ-OD2 2.61Å; K208-D238 PolarHBondContact NZ-OD2 3.37Å; S214-D238 PolarHBondContact N-OD2 3.12Å; S214-D238 WeakPolarHBondContact O-CB 3.39Å; S214-D238 PolarHBondContact O-N 3.4Å; S214-D238 VanDerWaalsContact O-N 3.11Å; S214-D238 PolarHBondContact OG-N 3.06Å; S214-D238 PolarHBondContact OG-OD2 3.26Å
239F92.9Very high82.9Confident69 Ų6986.8 Ų86.830%0.30343%0.429SS..EExtended strand (participates in β ladder)trans-139.2160.2178.6-51.8-77.4000110.5I194 S214 M215 L216 A237 F256I194-F239 HydrophobicContact CD1-CD2 4.29Å; S214-F239 PolarHBondContact O-N 2.97Å; M215-F239 CarbonylContact C-O 3.5Å; M215-F239 VanDerWaalsContact CA-O 3.29Å; M215-F239 WeakPolarHBondContact CA-O 3.45Å; M215-F239 HydrophobicContact CB-CB 4.24Å; M215-F239 HydrophobicContact CE-CB 3.83Å; M215-F239 HydrophobicContact CE-CG 4.33Å; M215-F239 HydrophobicContact CG-CB 4.12Å; L216-F239 PolarHBondContact N-O 3.44Å; A237-F239 VanDerWaalsContact C-N 3.34Å; A237-F239 VanDerWaalsContact CB-O 3.31Å; A237-F239 WeakPolarHBondContact CB-O 3.38Å; F239-F256 AromaticContact CD1-CE2 3.73Å; F239-F256 HydrophobicContact CD1-CE2 3.73Å; F239-F256 AromaticContact CD1-CZ 3.66Å; F239-F256 HydrophobicContact CD1-CZ 3.66Å; F239-F256 AromaticContact CD2-CZ 3.73Å; F239-F256 HydrophobicContact CD2-CZ 3.73Å; F239-F256 AromaticContact CE1-CE2 3.66Å; F239-F256 HydrophobicContact CE1-CE2 3.66Å; F239-F256 AromaticContact CE1-CZ 3.63Å; F239-F256 HydrophobicContact CE1-CZ 3.63Å; F239-F256 HydrophobicContact CE2-CE1 4.45Å; F239-F256 AromaticContact CE2-CZ 3.71Å; F239-F256 HydrophobicContact CE2-CZ 3.71Å; F239-F256 HydrophobicContact CG-CE2 4.22Å; F239-F256 AromaticContact CG-CZ 3.71Å; F239-F256 HydrophobicContact CG-CZ 3.71Å; F239-F256 HydrophobicContact CZ-CE2 4.09Å; F239-F256 AromaticContact CZ-CZ 3.65Å; F239-F256 HydrophobicContact CZ-CZ 3.65Å
240Y92.1Very high81Confident124 Ų12483 Ų8349%0.48642%0.415SS..EExtended strand (participates in β ladder)trans-142.4154166.669.1-87.4000111.2L216 L218 A227L216-Y240 CarbonylContact O-C 3.43Å; L216-Y240 WeakPolarHBondContact O-CA 3.17Å; L216-Y240 WeakPolarHBondContact O-CB 3.45Å; L218-Y240 HydrophobicContact CD1-CD2 4.05Å; A227-Y240 HydrophobicContact CB-CD1 4.12Å; A227-Y240 HydrophobicContact CB-CD2 4.39Å; A227-Y240 HydrophobicContact CB-CG 3.98Å
241C90Very high79Confident16 Ų1690.2 Ų90.211%0.10845%0.445CS..EExtended strand (participates in β ladder)trans-147.8163.1173.865.10000111.5L216 V217 L218 S243 T246L216-C241 PolarHBondContact O-N 3.1Å; V217-C241 WeakPolarHBondContact CA-O 3.45Å; L218-C241 PolarHBondContact N-O 3.06Å; C241-S243 PolarHBondContact O-N 3.26Å; C241-S243 PolarHBondContact SG-O 3.5Å; C241-T246 HydrophobicContact CB-CG2 4.23Å
242E86.7Confident77Confident155 Ų15584.1 Ų84.172%0.72442%0.423SS*.SBendtrans-65.2-40.8-178.1-66.1-175.1169.200112.3L218 S219L218-E242 CarbonylContact C-O 3.53Å; S219-E242 WeakPolarHBondContact CB-O 3.18Å; S219-E242 PolarHBondContact N-O 3.39Å; S219-E242 VanDerWaalsContact N-O 3.14Å
243S83.8Confident74.8Confident35 Ų3582.8 Ų82.825%0.24542%0.416CS..  trans-159167.2179.469.80000111.6C241 K245 T246C241-S243 PolarHBondContact O-N 3.26Å; C241-S243 PolarHBondContact SG-O 3.5Å; S243-K245 PolarHBondContact O-N 3.02Å; S243-K245 VanDerWaalsContact O-N 3.14Å; S243-K245 WeakPolarHBondContact OG-CB 3.5Å; S243-K245 PolarHBondContact OG-N 3.14Å; S243-T246 VanDerWaalsContact O-CB 3.29Å; S243-T246 WeakPolarHBondContact O-CB 3.46Å; S243-T246 PolarHBondContact O-N 2.91Å; S243-T246 VanDerWaalsContact O-N 3.09Å; S243-T246 PolarHBondContact O-OG1 3.49Å
244L78Confident72.2Confident84 Ų8481.2 Ų81.244%0.4441%0.41SS..THydrogen-bonded Turntrans-58.9-22.9171.3-72.3173.5000113.3I196 V217 T246 L247 C248I196-L244 HydrophobicContact CD1-CD2 4.42Å; I196-L244 HydrophobicContact CG2-CD2 3.68Å; V217-L244 HydrophobicContact CG1-CD2 4.13Å; V217-L244 HydrophobicContact CG1-CG 4.29Å; L244-T246 PolarHBondContact O-N 2.71Å; L244-L247 HydrophobicContact CD2-CD1 3.89Å; L244-L247 WeakPolarHBondContact O-CB 3.47Å; L244-L247 PolarHBondContact O-N 3.28Å; L244-C248 PolarHBondContact O-N 2.93Å
245K73.7Confident69.6Low135 Ų13586.6 Ų86.659%0.58743%0.427SS*.Hα-helixtrans-59.4-34.2176.4-172.4-175.5175-168.80111.3S243 L247 C248 D249S243-K245 PolarHBondContact O-N 3.02Å; S243-K245 VanDerWaalsContact O-N 3.14Å; S243-K245 WeakPolarHBondContact OG-CB 3.5Å; S243-K245 PolarHBondContact OG-N 3.14Å; K245-L247 PolarHBondContact O-N 3.18Å; K245-L247 VanDerWaalsContact O-N 3.13Å; K245-C248 PolarHBondContact O-N 3.07Å; K245-D249 VanDerWaalsContact CE-OD2 3.22Å; K245-D249 WeakPolarHBondContact CE-OD2 3.46Å; K245-D249 PolarHBondContact O-N 3.3Å
246T71.2Confident67Low54 Ų5489 Ų8933%0.33144%0.437SS..Hα-helixtrans-55.1-31.6173.3-50.30000111.2C241 S243 L244 L250C241-T246 HydrophobicContact CB-CG2 4.23Å; S243-T246 VanDerWaalsContact O-CB 3.29Å; S243-T246 WeakPolarHBondContact O-CB 3.46Å; S243-T246 PolarHBondContact O-N 2.91Å; S243-T246 VanDerWaalsContact O-N 3.09Å; S243-T246 PolarHBondContact O-OG1 3.49Å; L244-T246 PolarHBondContact O-N 2.71Å; T246-L250 HydrophobicContact CG2-CD1 4.49Å; T246-L250 WeakPolarHBondContact O-CD1 3.43Å; T246-L250 WeakPolarHBondContact O-CG 3.17Å
247L67.9Low64.2Low45 Ų4589.1 Ų89.124%0.23643%0.433CS..Hα-helixtrans-77.3-27.9175.5-62.2174.1000113.7I196 M215 L244 K245 V253I196-L247 HydrophobicContact CD1-CD1 3.6Å; M215-L247 HydrophobicContact CE-CD2 4.17Å; M215-L247 HydrophobicContact SD-CD1 4.16Å; M215-L247 HydrophobicContact SD-CD2 3.94Å; M215-L247 HydrophobicContact SD-CG 4.38Å; L244-L247 HydrophobicContact CD2-CD1 3.89Å; L244-L247 WeakPolarHBondContact O-CB 3.47Å; L244-L247 PolarHBondContact O-N 3.28Å; K245-L247 PolarHBondContact O-N 3.18Å; K245-L247 VanDerWaalsContact O-N 3.13Å; L247-V253 VanDerWaalsContact O-CG2 3.29Å; L247-V253 WeakPolarHBondContact O-CG2 3.38Å
248C60.9Low61.3Low107 Ų10793.3 Ų93.372%0.72345%0.449SS*.Hα-helixtrans-80.1-34.3-179.2-64.50000112.8L244 K245 L250L244-C248 PolarHBondContact O-N 2.93Å; K245-C248 PolarHBondContact O-N 3.07Å; C248-L250 PolarHBondContact O-N 2.9Å
249D52.6Low58.4Low111 Ų11196.5 Ų96.559%0.59446%0.46SS*.SBendtrans-77.2-0.7-178.6-66.8-17000112.8K245K245-D249 VanDerWaalsContact CE-OD2 3.22Å; K245-D249 WeakPolarHBondContact CE-OD2 3.46Å; K245-D249 PolarHBondContact O-N 3.3Å
250L47.1Very low55.4Low61 Ų6196.6 Ų96.632%0.31946%0.463SS..  trans-10287.2-172.7-73.7171.6000110.9T246 C248 S252 V253T246-L250 HydrophobicContact CG2-CD1 4.49Å; T246-L250 WeakPolarHBondContact O-CD1 3.43Å; T246-L250 WeakPolarHBondContact O-CG 3.17Å; C248-L250 PolarHBondContact O-N 2.9Å; L250-S252 VanDerWaalsContact CD2-CB 3.49Å; L250-S252 WeakPolarHBondContact CD2-OG 3.41Å; L250-S252 PolarHBondContact O-N 3.07Å; L250-V253 HydrophobicContact CB-CB 4.27Å; L250-V253 HydrophobicContact CB-CG2 3.25Å; L250-V253 HydrophobicContact CD1-CG2 3.76Å; L250-V253 HydrophobicContact CG-CG2 4.16Å; L250-V253 WeakPolarHBondContact O-CG2 3.18Å; L250-V253 PolarHBondContact O-N 2.75Å
251E39.4Very low52.6Low195 Ų19598.6 Ų98.691%0.91148%0.476SS*.THydrogen-bonded Turntrans-48.8-18.4141.9-103.3-178158.500111
252S37.7Very low49.5Very low55 Ų55108 Ų10839%0.38551%0.511SS..THydrogen-bonded Turntrans-82.2-2.5174.212.70000116.6L250 R254 R255 F256L250-S252 VanDerWaalsContact CD2-CB 3.49Å; L250-S252 WeakPolarHBondContact CD2-OG 3.41Å; L250-S252 PolarHBondContact O-N 3.07Å; S252-R254 PolarHBondContact O-N 3.3Å; S252-R255 PolarHBondContact O-N 2.9Å; S252-R255 VanDerWaalsContact O-N 3.13Å; S252-F256 PolarHBondContact O-N 2.7Å; S252-F256 VanDerWaalsContact O-N 3.1Å
253V44.6Very low46.8Very low27 Ų27109.2 Ų109.216%0.16452%0.521CS..Hα-helixtrans-69.6-24.2170.1-162.10000109.3L247 L250 R255 F256 F257L247-V253 VanDerWaalsContact O-CG2 3.29Å; L247-V253 WeakPolarHBondContact O-CG2 3.38Å; L250-V253 HydrophobicContact CB-CB 4.27Å; L250-V253 HydrophobicContact CB-CG2 3.25Å; L250-V253 HydrophobicContact CD1-CG2 3.76Å; L250-V253 HydrophobicContact CG-CG2 4.16Å; L250-V253 WeakPolarHBondContact O-CG2 3.18Å; L250-V253 PolarHBondContact O-N 2.75Å; V253-R255 VanDerWaalsContact C-N 3.29Å; V253-R255 PolarHBondContact O-N 3.02Å; V253-F256 HydrophobicContact CG1-CB 4.39Å; V253-F256 PolarHBondContact O-N 3.19Å; V253-F257 HydrophobicContact CG1-CD2 3.51Å; V253-F257 HydrophobicContact CG1-CE2 3.3Å; V253-F257 HydrophobicContact CG1-CZ 4.44Å; V253-F257 VanDerWaalsContact O-CD2 3.26Å; V253-F257 WeakPolarHBondContact O-CD2 3.37Å; V253-F257 PolarHBondContact O-N 3.08Å
254R35.6Very low44.9Very low195 Ų195112.9 Ų112.974%0.73653%0.534SS*.Hα-helixtrans-57-43.7169.7-133.6177.6-176.3178.4-1.2111.1S252 F257 E258S252-R254 PolarHBondContact O-N 3.3Å; R254-F257 PolarHBondContact O-N 3.47Å; R254-E258 WeakPolarHBondContact O-CB 3.3Å; R254-E258 VanDerWaalsContact O-CG 3.23Å; R254-E258 WeakPolarHBondContact O-CG 3.27Å; R254-E258 PolarHBondContact O-N 3.06Å
255R36.2Very low43.2Very low194 Ų194114.4 Ų114.473%0.73254%0.539SS*.Hα-helixtrans-69.9-36.6173.6-79.3-176179.8172.31.1113.5S252 V253 F257 E258 F259S252-R255 PolarHBondContact O-N 2.9Å; S252-R255 VanDerWaalsContact O-N 3.13Å; V253-R255 VanDerWaalsContact C-N 3.29Å; V253-R255 PolarHBondContact O-N 3.02Å; R255-F257 VanDerWaalsContact C-N 3.3Å; R255-F257 PolarHBondContact O-N 3.43Å; R255-E258 PolarHBondContact O-N 2.73Å; R255-F259 PolarHBondContact O-N 2.9Å
256F37.5Very low41.5Very low58 Ų58113.3 Ų113.325%0.25454%0.537SS..Hα-helixtrans-62.8-36.5175.3-173.8-101.3000112.2M215 F239 S252 V253 L260M215-F256 HydrophobicContact CE-CE1 4.16Å; M215-F256 HydrophobicContact CE-CZ 3.95Å; F239-F256 AromaticContact CD1-CE2 3.73Å; F239-F256 HydrophobicContact CD1-CE2 3.73Å; F239-F256 AromaticContact CD1-CZ 3.66Å; F239-F256 HydrophobicContact CD1-CZ 3.66Å; F239-F256 AromaticContact CD2-CZ 3.73Å; F239-F256 HydrophobicContact CD2-CZ 3.73Å; F239-F256 AromaticContact CE1-CE2 3.66Å; F239-F256 HydrophobicContact CE1-CE2 3.66Å; F239-F256 AromaticContact CE1-CZ 3.63Å; F239-F256 HydrophobicContact CE1-CZ 3.63Å; F239-F256 HydrophobicContact CE2-CE1 4.45Å; F239-F256 AromaticContact CE2-CZ 3.71Å; F239-F256 HydrophobicContact CE2-CZ 3.71Å; F239-F256 HydrophobicContact CG-CE2 4.22Å; F239-F256 AromaticContact CG-CZ 3.71Å; F239-F256 HydrophobicContact CG-CZ 3.71Å; F239-F256 HydrophobicContact CZ-CE2 4.09Å; F239-F256 AromaticContact CZ-CZ 3.65Å; F239-F256 HydrophobicContact CZ-CZ 3.65Å; S252-F256 PolarHBondContact O-N 2.7Å; S252-F256 VanDerWaalsContact O-N 3.1Å; V253-F256 HydrophobicContact CG1-CB 4.39Å; V253-F256 PolarHBondContact O-N 3.19Å; F256-L260 HydrophobicContact CE1-CD1 4.46Å
257F34.9Very low39.7Very low54 Ų54116.8 Ų116.824%0.23755%0.549CS..Hα-helixtrans-83.1-26.2173.2-73.9-68.1000114.2K2 V253 R254 R255 F259 L260 H261K2-F257 HydrophobicContact CD-CD2 4.07Å; K2-F257 HydrophobicContact CD-CE2 3.52Å; K2-F257 HydrophobicContact CD-CZ 3.88Å; V253-F257 HydrophobicContact CG1-CD2 3.51Å; V253-F257 HydrophobicContact CG1-CE2 3.3Å; V253-F257 HydrophobicContact CG1-CZ 4.44Å; V253-F257 VanDerWaalsContact O-CD2 3.26Å; V253-F257 WeakPolarHBondContact O-CD2 3.37Å; V253-F257 PolarHBondContact O-N 3.08Å; R254-F257 PolarHBondContact O-N 3.47Å; R255-F257 VanDerWaalsContact C-N 3.3Å; R255-F257 PolarHBondContact O-N 3.43Å; F257-F259 VanDerWaalsContact C-N 3.28Å; F257-L260 HydrophobicContact CD1-CD1 3.94Å; F257-L260 HydrophobicContact CE1-CD1 4.21Å; F257-L260 PolarHBondContact O-N 3.33Å; F257-H261 PolarHBondContact O-N 3.44Å
258E32.4Very low38Very low110 Ų110121.3 Ų121.351%0.51457%0.568SS.*Hα-helixtrans-65.5-32.2169-77.1164.8-177.100111.6R254 R255 H261R254-E258 WeakPolarHBondContact O-CB 3.3Å; R254-E258 VanDerWaalsContact O-CG 3.23Å; R254-E258 WeakPolarHBondContact O-CG 3.27Å; R254-E258 PolarHBondContact O-N 3.06Å; R255-E258 PolarHBondContact O-N 2.73Å; E258-H261 PolarHBondContact O-N 3.24Å
259F31.6Very low36.4Very low143 Ų143122.2 Ų122.263%0.62756%0.558SS**Hα-helixtrans-68.1-32.8173.8-159.9-103000112.6R255 F257 H261 Y262 I263R255-F259 PolarHBondContact O-N 2.9Å; F257-F259 VanDerWaalsContact C-N 3.28Å; F259-H261 VanDerWaalsContact C-N 3.26Å; F259-H261 PolarHBondContact O-N 2.95Å; F259-Y262 PolarHBondContact O-N 3.29Å; F259-I263 HydrophobicContact CD1-CD1 4Å; F259-I263 HydrophobicContact CE1-CD1 3.63Å; F259-I263 HydrophobicContact CZ-CD1 4.37Å
260L30.7Very low35.3Very low71 Ų71123 Ų12337%0.37256%0.555SS.*THydrogen-bonded Turntrans-77.2-4.7174-72.6169.6000114F256 F257F256-L260 HydrophobicContact CE1-CD1 4.46Å; F257-L260 HydrophobicContact CD1-CD1 3.94Å; F257-L260 HydrophobicContact CE1-CD1 4.21Å; F257-L260 PolarHBondContact O-N 3.33Å
261H31.7Very low34.4Very low165 Ų165127.8 Ų127.876%0.76457%0.574SS**THydrogen-bonded Turntrans-96.30.8168.3-90.85.9000113.1F257 E258 F259F257-H261 PolarHBondContact O-N 3.44Å; E258-H261 PolarHBondContact O-N 3.24Å; F259-H261 VanDerWaalsContact C-N 3.26Å; F259-H261 PolarHBondContact O-N 2.95Å
262Y26.6Very low33.9Very low215 Ų215122.2 Ų122.284%0.84355%0.545SS*.  trans-1208.2-178.3-102.8-86.2000114.5F259F259-Y262 PolarHBondContact O-N 3.29Å
263I28.1Very low33.6Very low179 Ų179128.3 Ų128.392%0.91856%0.56SS**  trans-121.60170-52.3178.4000108F259F259-I263 HydrophobicContact CD1-CD1 4Å; F259-I263 HydrophobicContact CE1-CD1 3.63Å; F259-I263 HydrophobicContact CZ-CD1 4.37Å

Retrieved 263 of 263 residues in 618.8 ms (Link to these results)

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