A0A087Y453_POEFO Loading...

Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating

AlphaFold DB , UniProt , Accession A0A087Y453, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 345 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low50Low242 Ų242142.2 Ų142.2100%1.19274%0.74SS**  01100-82.3-176.7170.100108.2T3M1-T3 PolarHBondContact O-N 3.47Å
2A32.8Very low53.9Low103 Ų103130.3 Ų130.385%0.85168%0.679SS**  trans-69.7117.1179.400000109.6R4A2-R4 PolarHBondContact O-N 3.28Å
3T34.6Very low57.4Low133 Ų133120.3 Ų120.382%0.81663%0.626SS**  trans-59.8103169.314.30000108.2M1 V5M1-T3 PolarHBondContact O-N 3.47Å; T3-V5 PolarHBondContact O-N 2.79Å
4R38.2Very low60.3Low238 Ų238111.7 Ų111.790%0.89858%0.582SS**  trans-59.7102.5166.7-87.7-177.2172.1-172.2-1.9107.4A2 R6A2-R4 PolarHBondContact O-N 3.28Å; R4-R6 VanDerWaalsContact C-N 3.34Å; R4-R6 PolarHBondContact O-N 3.27Å
5V39Very low62.9Low137 Ų137104.4 Ų104.483%0.8354%0.544SS*.  trans-60.6102165.2179.40000105.8T3T3-V5 PolarHBondContact O-N 2.79Å
6R40.6Very low65Low196 Ų19698.3 Ų98.374%0.7451%0.514SS*.  trans-57.8135.1172.4-75.6-177.4176.3-166.3-1107.2R4 V8R4-R6 VanDerWaalsContact C-N 3.34Å; R4-R6 PolarHBondContact O-N 3.27Å; R6-V8 PolarHBondContact O-N 3.3Å
7P40Very low66.9Low119 Ų11992.5 Ų92.577%0.77348%0.484SS*.  trans-54.1134.9171.222-29.9000108.2S9P7-S9 VanDerWaalsContact C-N 3.27Å; P7-S9 PolarHBondContact O-N 2.98Å
8V54.1Low68.6Low125 Ų12587.8 Ų87.876%0.75846%0.46SS*.  trans-62.590.8-179-1760000107.9R6 K10R6-V8 PolarHBondContact O-N 3.3Å; V8-K10 PolarHBondContact O-N 3.05Å
9S59.8Low70Confident61 Ų6184.7 Ų84.743%0.42745%0.452SS..  trans-61.6126.1171.656.30000107P7 R11P7-S9 VanDerWaalsContact C-N 3.27Å; P7-S9 PolarHBondContact O-N 2.98Å; S9-R11 PolarHBondContact O-N 2.74Å
10K83.6Confident71.4Confident117 Ų11782.4 Ų82.451%0.50944%0.437SS..  trans-68.952.5170.4-68.8-172.6170.4-173.90110.7V8 R32 Y34 S35V8-K10 PolarHBondContact O-N 3.05Å; K10-R32 PolarHBondContact NZ-O 3.06Å; K10-Y34 HydrophobicContact CB-CD1 3.98Å; K10-Y34 HydrophobicContact CB-CE1 4.33Å; K10-Y34 HydrophobicContact CB-CG 4.25Å; K10-Y34 CarbonylContact O-C 3.41Å; K10-Y34 VanDerWaalsContact O-CA 3.23Å; K10-Y34 WeakPolarHBondContact O-CA 3.43Å; K10-S35 PolarHBondContact O-N 3.46Å
11R92.9Very high72.6Confident93 Ų9379.1 Ų79.135%0.35142%0.42SS..EExtended strand (participates in β ladder)trans-110.9122.7178.6-170.6173.9-71.6174.6-0.7109.2S9 S35 D69 V70 S71S9-R11 PolarHBondContact O-N 2.74Å; R11-S35 VanDerWaalsContact CA-O 3.31Å; R11-S35 WeakPolarHBondContact CA-O 3.41Å; R11-D69 WeakPolarHBondContact CD-O 3.37Å; R11-D69 IonicContact NH1-OD2 3.83Å; R11-V70 HydrophobicContact CG-CG2 4.09Å; R11-S71 PolarHBondContact O-N 2.93Å
12C97.3Very high75.6Confident0 Ų067.7 Ų67.70%036%0.364CS..EExtended strand (participates in β ladder)trans-132156.5-179.959.90000111Y34 S35 V36 S37 L72 F74C12-Y34 HydrophobicContact CB-CD1 4.28Å; C12-S35 PolarHBondContact N-O 2.95Å; C12-V36 WeakPolarHBondContact O-CA 3.36Å; C12-S37 PolarHBondContact O-N 2.91Å; C12-L72 CarbonylContact C-O 3.45Å; C12-L72 WeakPolarHBondContact CA-O 3.4Å; C12-L72 HydrophobicContact CB-CB 4.12Å; C12-L72 HydrophobicContact CB-CD2 4.15Å; C12-L72 HydrophobicContact CB-CG 4.11Å; C12-L72 WeakPolarHBondContact CB-O 3.48Å; C12-F74 HydrophobicContact CB-CD2 4.47Å; C12-F74 HydrophobicContact CB-CE2 4.23Å
13A98.4Very high78.7Confident0 Ų066.1 Ų66.10%034%0.336CS..EExtended strand (participates in β ladder)trans-110.5142.3167.800000111S37 L67 V70 L72 V73 F74A13-S37 CarbonylContact C-O 3.51Å; A13-S37 WeakPolarHBondContact CA-O 3.23Å; A13-L67 HydrophobicContact CB-CD2 3.87Å; A13-V70 HydrophobicContact CB-CG1 4.04Å; A13-V70 HydrophobicContact CB-CG2 4.23Å; A13-L72 PolarHBondContact N-O 3.01Å; A13-V73 HydrophobicContact CB-CG2 4.29Å; A13-V73 CarbonylContact O-C 3.51Å; A13-V73 WeakPolarHBondContact O-CA 3.31Å; A13-F74 PolarHBondContact O-N 2.9Å
14V98.6Very high81.8Confident0 Ų060.5 Ų60.50%030%0.3CS..EExtended strand (participates in β ladder)trans-116.1108.3171.4-174.50000108.6L25 V26 L29 V36 S37 F39 F74V14-L25 HydrophobicContact CG1-CD2 4.24Å; V14-L25 HydrophobicContact CG2-CD2 4.42Å; V14-L25 HydrophobicContact CG2-CG 4.48Å; V14-V26 HydrophobicContact CB-CG2 3.82Å; V14-V26 HydrophobicContact CG1-CG2 4.03Å; V14-V26 HydrophobicContact CG2-CG2 3.78Å; V14-L29 HydrophobicContact CG2-CD1 3.67Å; V14-V36 HydrophobicContact CG2-CG1 3.98Å; V14-S37 PolarHBondContact N-O 3.21Å; V14-F39 PolarHBondContact O-N 3.29Å; V14-F74 HydrophobicContact CG1-CB 4.47Å; V14-F74 HydrophobicContact CG2-CB 4.36Å; V14-F74 HydrophobicContact CG2-CD2 4.23Å
15I98.6Very high84.7Confident2 Ų249.2 Ų49.21%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-86.8124175.7-59.5177.9000108.2F39 L57 L63 V73 F74 C76 A77 V100I15-F39 CarbonylContact C-O 3.46Å; I15-F39 WeakPolarHBondContact CA-O 3.38Å; I15-F39 HydrophobicContact CG1-CB 4.35Å; I15-F39 HydrophobicContact CG2-CD1 4.31Å; I15-L57 HydrophobicContact CG2-CD1 3.33Å; I15-L63 HydrophobicContact CD1-CD2 3.9Å; I15-L63 HydrophobicContact CG1-CD2 4.42Å; I15-V73 HydrophobicContact CD1-CG1 3.64Å; I15-V73 HydrophobicContact CG1-CG1 4.02Å; I15-F74 PolarHBondContact N-O 3.31Å; I15-C76 CarbonylContact O-C 3.47Å; I15-C76 WeakPolarHBondContact O-CA 3.48Å; I15-C76 WeakPolarHBondContact O-CB 3.05Å; I15-C76 PolarHBondContact O-N 3.08Å; I15-A77 HydrophobicContact CG2-CB 3.92Å; I15-A77 PolarHBondContact O-N 2.83Å; I15-A77 VanDerWaalsContact O-N 3.09Å; I15-V100 HydrophobicContact CD1-CB 4.32Å; I15-V100 HydrophobicContact CD1-CG1 3.59Å; I15-V100 HydrophobicContact CD1-CG2 3.72Å
16G97.8Very high87.5Confident7 Ų742.7 Ų42.77%0.07222%0.218CC..THydrogen-bonded Turntrans83.624-167.900000112.6S18 G19 F39 D40G16-S18 PolarHBondContact O-N 3.22Å; G16-G19 PolarHBondContact O-N 3.31Å; G16-G19 VanDerWaalsContact O-N 3.08Å; G16-F39 PolarHBondContact N-O 3.02Å; G16-D40 WeakPolarHBondContact CA-OD2 3.39Å
17G97.3Very high90.2Very high0 Ų035.5 Ų35.50%019%0.193CC..THydrogen-bonded Turntrans-68.6-14.3-175.300000114.5G19 G22 R23 D40 Y45G17-G19 VanDerWaalsContact C-N 3.33Å; G17-G22 CarbonylContact O-C 3.54Å; G17-R23 WeakPolarHBondContact O-CA 3.27Å; G17-R23 PolarHBondContact O-N 3.49Å; G17-R23 VanDerWaalsContact O-N 3.15Å; G17-D40 PolarHBondContact N-OD2 2.77Å; G17-Y45 WeakPolarHBondContact O-CE1 3.33Å; G17-Y45 PolarHBondContact O-OH 2.63Å
18S96.4Very high93Very high8 Ų834.1 Ų34.16%0.05618%0.175CC..THydrogen-bonded Turntrans-85.5-6.5171.9-62.90000113.3G16 D40 R42 S44 F52G16-S18 PolarHBondContact O-N 3.22Å; S18-D40 VanDerWaalsContact CB-CG 3.42Å; S18-D40 VanDerWaalsContact CB-OD2 3.28Å; S18-D40 WeakPolarHBondContact CB-OD2 3.49Å; S18-D40 PolarHBondContact N-OD2 3.12Å; S18-R42 VanDerWaalsContact CB-O 3.22Å; S18-R42 WeakPolarHBondContact CB-O 3.41Å; S18-R42 PolarHBondContact OG-O 3.2Å; S18-S44 WeakPolarHBondContact CB-OG 3.22Å; S18-S44 PolarHBondContact O-OG 2.74Å; S18-S44 VanDerWaalsContact O-OG 3.13Å; S18-F52 WeakPolarHBondContact OG-CE2 3.19Å
19G95.8Very high95Very high29 Ų2928.1 Ų28.130%0.29914%0.139SC..SBendtrans-76.7172.6175.400000113.3G16 G17 G22 R23G16-G19 PolarHBondContact O-N 3.31Å; G16-G19 VanDerWaalsContact O-N 3.08Å; G17-G19 VanDerWaalsContact C-N 3.33Å; G19-G22 PolarHBondContact O-N 3.27Å; G19-R23 VanDerWaalsContact O-CB 3.31Å; G19-R23 WeakPolarHBondContact O-CB 3.3Å; G19-R23 PolarHBondContact O-N 3.39Å
20F96.8Very high96.7Very high38 Ų3827.1 Ų27.117%0.16713%0.128CC..Hα-helixtrans-55.8-63.9-178.7168.6-134.7000112.4G22 H24 I175 P178 D180 P181 V212F20-G22 PolarHBondContact O-N 2.95Å; F20-H24 AromaticContact CD2-CD2 3.88Å; F20-H24 AromaticContact CE2-CD2 3.73Å; F20-H24 AromaticContact CE2-NE2 3.61Å; F20-H24 PolarHBondContact O-CD2 3.29Å; F20-H24 VanDerWaalsContact O-CD2 3.27Å; F20-I175 HydrophobicContact CD1-CG2 4.44Å; F20-I175 HydrophobicContact CE1-CB 4.21Å; F20-I175 HydrophobicContact CE1-CG2 3.62Å; F20-I175 HydrophobicContact CZ-CG2 4.22Å; F20-P178 VanDerWaalsContact CE2-O 3.32Å; F20-P178 WeakPolarHBondContact CE2-O 3.02Å; F20-D180 HydrophobicContact CE1-CB 4.03Å; F20-D180 HydrophobicContact CE2-CB 4.14Å; F20-D180 HydrophobicContact CZ-CB 3.82Å; F20-P181 HydrophobicContact CB-CG 4.3Å; F20-V212 HydrophobicContact CE1-CB 4.41Å; F20-V212 HydrophobicContact CE1-CG2 4.28Å; F20-V212 HydrophobicContact CE2-CB 4.16Å; F20-V212 HydrophobicContact CE2-CG1 4.23Å; F20-V212 HydrophobicContact CE2-CG2 3.97Å; F20-V212 HydrophobicContact CZ-CB 3.7Å; F20-V212 HydrophobicContact CZ-CG1 4.12Å; F20-V212 HydrophobicContact CZ-CG2 3.79Å
21L98.2Very high97.3Very high14 Ų1427.6 Ų27.67%0.07314%0.136CC..Hα-helixtrans-62.8-43.7177.6176.466.1000111.7R23 H24 L25 T115 I175 V212 V215 V216L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.14Å; L21-H24 PolarHBondContact O-N 3.25Å; L21-L25 PolarHBondContact O-N 3.33Å; L21-T115 HydrophobicContact CD2-CG2 3.41Å; L21-T115 VanDerWaalsContact CD2-CG2 3.41Å; L21-I175 HydrophobicContact CD2-CD1 4.23Å; L21-V212 HydrophobicContact CD1-CG2 3.96Å; L21-V215 HydrophobicContact CD1-CB 3.94Å; L21-V215 HydrophobicContact CD1-CG1 3.66Å; L21-V215 HydrophobicContact CD2-CG1 4.02Å; L21-V216 HydrophobicContact CD1-CG2 3.77Å
22G97.9Very high97.4Very high1 Ų127.3 Ų27.31%0.0114%0.135CC..Hα-helixtrans-57.9-42.2-176.300000112.8G17 G19 F20 L25 V26G17-G22 CarbonylContact O-C 3.54Å; G19-G22 PolarHBondContact O-N 3.27Å; F20-G22 PolarHBondContact O-N 2.95Å; G22-L25 WeakPolarHBondContact O-CB 3.43Å; G22-L25 PolarHBondContact O-N 3.31Å; G22-V26 VanDerWaalsContact O-CG2 3.27Å; G22-V26 WeakPolarHBondContact O-CG2 3.29Å; G22-V26 PolarHBondContact O-N 3.48Å
23R97.7Very high97.2Very high70 Ų7029.7 Ų29.726%0.26416%0.16SC..Hα-helixtrans-63.8-47.4177.3178.5175.6171.9159.15.1112.5G17 G19 L21 L25 V26 E27 Y45G17-R23 WeakPolarHBondContact O-CA 3.27Å; G17-R23 PolarHBondContact O-N 3.49Å; G17-R23 VanDerWaalsContact O-N 3.15Å; G19-R23 VanDerWaalsContact O-CB 3.31Å; G19-R23 WeakPolarHBondContact O-CB 3.3Å; G19-R23 PolarHBondContact O-N 3.39Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.14Å; R23-L25 PolarHBondContact O-N 3.07Å; R23-V26 PolarHBondContact O-N 3.29Å; R23-E27 WeakPolarHBondContact CG-OE1 3.31Å; R23-E27 IonicContact CZ-OE1 3.31Å; R23-E27 IonicContact NE-OE1 3.34Å; R23-E27 PolarHBondContact NE-OE1 3.35Å; R23-E27 IonicContact NH2-OE1 2.78Å; R23-E27 WeakPolarHBondContact O-CG 3.35Å; R23-E27 PolarHBondContact O-N 3.44Å; R23-Y45 HydrophobicContact CB-CD1 4.46Å; R23-Y45 HydrophobicContact CB-CE1 3.79Å; R23-Y45 HydrophobicContact CG-CD1 4.01Å; R23-Y45 HydrophobicContact CG-CE1 3.65Å
24H98.4Very high97Very high16 Ų1631.4 Ų31.47%0.07417%0.167CC..Hα-helixtrans-60.7-36.6176.5-78.6-83.9000111.4F20 L21 K28 P178 R179 V212 V216F20-H24 AromaticContact CD2-CD2 3.88Å; F20-H24 AromaticContact CE2-CD2 3.73Å; F20-H24 AromaticContact CE2-NE2 3.61Å; F20-H24 PolarHBondContact O-CD2 3.29Å; F20-H24 VanDerWaalsContact O-CD2 3.27Å; L21-H24 PolarHBondContact O-N 3.25Å; H24-K28 WeakPolarHBondContact O-CB 3.46Å; H24-K28 PolarHBondContact O-N 2.95Å; H24-K28 VanDerWaalsContact O-N 3.08Å; H24-P178 PolarHBondContact NE2-O 3.24Å; H24-R179 PolarHBondContact CE1-NH2 2.97Å; H24-R179 PolarHBondContact ND1-NH2 3.03Å; H24-R179 VanDerWaalsContact ND1-NH2 3.11Å; H24-R179 PolarHBondContact NE2-NH2 3.47Å; H24-V212 HydrophobicContact CB-CG2 3.95Å; H24-V216 HydrophobicContact CB-CG2 3.83Å
25L98.6Very high96.8Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-66.4-44.7174.8178.559.6000112V14 L21 G22 R23 K28 L29 F74 V216 H219 I220V14-L25 HydrophobicContact CG1-CD2 4.24Å; V14-L25 HydrophobicContact CG2-CD2 4.42Å; V14-L25 HydrophobicContact CG2-CG 4.48Å; L21-L25 PolarHBondContact O-N 3.33Å; G22-L25 WeakPolarHBondContact O-CB 3.43Å; G22-L25 PolarHBondContact O-N 3.31Å; R23-L25 PolarHBondContact O-N 3.07Å; L25-K28 PolarHBondContact O-N 2.9Å; L25-L29 HydrophobicContact CD1-CD1 3.85Å; L25-L29 HydrophobicContact CD1-CG 3.97Å; L25-L29 HydrophobicContact CG-CD1 3.73Å; L25-L29 HydrophobicContact CG-CG 4.33Å; L25-L29 WeakPolarHBondContact O-CB 3.42Å; L25-L29 WeakPolarHBondContact O-CD1 3.33Å; L25-L29 WeakPolarHBondContact O-CG 3.47Å; L25-L29 PolarHBondContact O-N 3.39Å; L25-F74 HydrophobicContact CD2-CB 3.65Å; L25-F74 HydrophobicContact CD2-CD1 3.79Å; L25-F74 HydrophobicContact CD2-CD2 4.24Å; L25-F74 HydrophobicContact CD2-CE1 4.47Å; L25-F74 HydrophobicContact CD2-CG 3.65Å; L25-V216 HydrophobicContact CB-CG1 4.44Å; L25-V216 HydrophobicContact CB-CG2 4.07Å; L25-V216 HydrophobicContact CD1-CG1 3.9Å; L25-H219 HydrophobicContact CD1-CB 4.33Å; L25-I220 HydrophobicContact CD1-CD1 4.31Å; L25-I220 HydrophobicContact CD1-CG1 3.93Å
26V98.4Very high96.7Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-59.5-50.5176.5169.50000110.9V14 G22 R23 K28 L29 L30 V36 V38 Y45 L47 V50V14-V26 HydrophobicContact CB-CG2 3.82Å; V14-V26 HydrophobicContact CG1-CG2 4.03Å; V14-V26 HydrophobicContact CG2-CG2 3.78Å; G22-V26 VanDerWaalsContact O-CG2 3.27Å; G22-V26 WeakPolarHBondContact O-CG2 3.29Å; G22-V26 PolarHBondContact O-N 3.48Å; R23-V26 PolarHBondContact O-N 3.29Å; V26-K28 VanDerWaalsContact C-N 3.29Å; V26-K28 PolarHBondContact O-N 3.11Å; V26-L29 PolarHBondContact O-N 3.35Å; V26-L30 HydrophobicContact CG1-CD1 4.2Å; V26-L30 WeakPolarHBondContact O-CG 3.35Å; V26-L30 PolarHBondContact O-N 3.15Å; V26-V36 HydrophobicContact CG1-CG1 4.16Å; V26-V36 HydrophobicContact CG2-CG1 4.1Å; V26-V38 HydrophobicContact CB-CG2 4.47Å; V26-V38 HydrophobicContact CG1-CG2 4.1Å; V26-V38 HydrophobicContact CG2-CG2 3.52Å; V26-Y45 HydrophobicContact CG1-CE2 4.44Å; V26-Y45 WeakPolarHBondContact CG2-OH 3.13Å; V26-L47 HydrophobicContact CG1-CD1 4.35Å; V26-V50 HydrophobicContact CG1-CG2 3.65Å
27E97.6Very high96.6Very high46 Ų4634.6 Ų34.622%0.21519%0.188CC..Hα-helixtrans-53.9-47.7176.9-71.8170.1-176.100110.2R23 L29 L30 D31 L47 R179R23-E27 WeakPolarHBondContact CG-OE1 3.31Å; R23-E27 IonicContact CZ-OE1 3.31Å; R23-E27 IonicContact NE-OE1 3.34Å; R23-E27 PolarHBondContact NE-OE1 3.35Å; R23-E27 IonicContact NH2-OE1 2.78Å; R23-E27 WeakPolarHBondContact O-CG 3.35Å; R23-E27 PolarHBondContact O-N 3.44Å; E27-L29 PolarHBondContact O-N 3.11Å; E27-L30 PolarHBondContact O-N 2.86Å; E27-D31 PolarHBondContact O-N 3.34Å; E27-D31 VanDerWaalsContact O-N 3.15Å; E27-L47 HydrophobicContact CG-CD1 3.66Å; E27-R179 IonicContact OE1-CZ 2.86Å; E27-R179 IonicContact OE1-NH1 3.76Å; E27-R179 IonicContact OE1-NH2 3.93Å; E27-R179 IonicContact OE2-CZ 3.85Å; E27-R179 IonicContact OE2-NH1 3.82Å; E27-R179 IonicContact OE2-NH2 3.53Å; E27-R179 PolarHBondContact OE2-NH2 3Å
28K97.8Very high96.7Very high89 Ų8934.6 Ų34.639%0.38719%0.188SC..Hα-helixtrans-70.8-31.4-178.8-161.861.3171.1-177.10114.5H24 L25 V26 R32 V216 I220H24-K28 WeakPolarHBondContact O-CB 3.46Å; H24-K28 PolarHBondContact O-N 2.95Å; H24-K28 VanDerWaalsContact O-N 3.08Å; L25-K28 PolarHBondContact O-N 2.9Å; V26-K28 VanDerWaalsContact C-N 3.29Å; V26-K28 PolarHBondContact O-N 3.11Å; K28-R32 PolarHBondContact O-N 3.15Å; K28-V216 HydrophobicContact CB-CG1 3.59Å; K28-V216 HydrophobicContact CG-CG1 3.85Å; K28-I220 HydrophobicContact CB-CD1 4.11Å; K28-I220 HydrophobicContact CG-CD1 3.66Å
29L97.4Very high96.8Very high0 Ų034.4 Ų34.40%019%0.186CC..Hα-helixtrans-68.3-40.9175.8-75.4165.4000110.9V14 L25 V26 E27 R32 G33 Y34 V36 F74 I220V14-L29 HydrophobicContact CG2-CD1 3.67Å; L25-L29 HydrophobicContact CD1-CD1 3.85Å; L25-L29 HydrophobicContact CD1-CG 3.97Å; L25-L29 HydrophobicContact CG-CD1 3.73Å; L25-L29 HydrophobicContact CG-CG 4.33Å; L25-L29 WeakPolarHBondContact O-CB 3.42Å; L25-L29 WeakPolarHBondContact O-CD1 3.33Å; L25-L29 WeakPolarHBondContact O-CG 3.47Å; L25-L29 PolarHBondContact O-N 3.39Å; V26-L29 PolarHBondContact O-N 3.35Å; E27-L29 PolarHBondContact O-N 3.11Å; L29-R32 PolarHBondContact O-N 3.27Å; L29-R32 VanDerWaalsContact O-N 3.14Å; L29-G33 PolarHBondContact O-N 2.89Å; L29-Y34 HydrophobicContact CB-CD2 4.48Å; L29-Y34 HydrophobicContact CB-CG 4.45Å; L29-Y34 HydrophobicContact CD2-CD1 4.35Å; L29-Y34 HydrophobicContact CD2-CD2 3.91Å; L29-Y34 HydrophobicContact CD2-CE2 4.11Å; L29-Y34 HydrophobicContact CD2-CG 4.04Å; L29-Y34 WeakPolarHBondContact O-CB 3.49Å; L29-Y34 WeakPolarHBondContact O-CD2 3.5Å; L29-Y34 PolarHBondContact O-N 3.05Å; L29-V36 HydrophobicContact CB-CG2 3.74Å; L29-F74 HydrophobicContact CD1-CD2 3.96Å; L29-F74 HydrophobicContact CD1-CE2 3.76Å; L29-F74 HydrophobicContact CD2-CE2 3.87Å; L29-F74 HydrophobicContact CD2-CZ 4.14Å; L29-F74 HydrophobicContact CG-CE2 4.45Å; L29-I220 HydrophobicContact CD2-CG1 4.22Å
30L96.1Very high96.9Very high40 Ų4034 Ų3421%0.20918%0.177CC..Hα-helixtrans-60.7-45.1173.9-65.4167.8000111.2V26 E27 R32 G33 V36 L47 V50V26-L30 HydrophobicContact CG1-CD1 4.2Å; V26-L30 WeakPolarHBondContact O-CG 3.35Å; V26-L30 PolarHBondContact O-N 3.15Å; E27-L30 PolarHBondContact O-N 2.86Å; L30-R32 PolarHBondContact O-N 3.14Å; L30-R32 VanDerWaalsContact O-N 3.15Å; L30-G33 WeakPolarHBondContact O-CA 3.48Å; L30-G33 PolarHBondContact O-N 3.37Å; L30-V36 HydrophobicContact CD2-CB 4.25Å; L30-V36 HydrophobicContact CD2-CG2 3.87Å; L30-V36 HydrophobicContact CG-CG2 4.15Å; L30-L47 HydrophobicContact CD1-CB 4.34Å; L30-L47 HydrophobicContact CD1-CD1 4.25Å; L30-V50 HydrophobicContact CD1-CG2 3.62Å; L30-V50 HydrophobicContact CD2-CG2 4Å; L30-V50 HydrophobicContact CG-CG2 4.23Å
31D95.4Very high96.9Very high126 Ų12637.2 Ų37.267%0.67420%0.195SC*.Hα-helixtrans-56.8-30.4175.6-70-14.2000112.7E27 G33E27-D31 PolarHBondContact O-N 3.34Å; E27-D31 VanDerWaalsContact O-N 3.15Å; D31-G33 VanDerWaalsContact C-N 3.29Å
32R93.9Very high96.7Very high87 Ų8744.1 Ų44.133%0.32822%0.22SC..THydrogen-bonded Turntrans-875176.4-71.2-159.8173.8-168.10.8114.1K10 K28 L29 L30 Y34 E224K10-R32 PolarHBondContact NZ-O 3.06Å; K28-R32 PolarHBondContact O-N 3.15Å; L29-R32 PolarHBondContact O-N 3.27Å; L29-R32 VanDerWaalsContact O-N 3.14Å; L30-R32 PolarHBondContact O-N 3.14Å; L30-R32 VanDerWaalsContact O-N 3.15Å; R32-Y34 HydrophobicContact CB-CD2 3.86Å; R32-Y34 HydrophobicContact CB-CE2 3.94Å; R32-E224 IonicContact CZ-OE1 3.25Å; R32-E224 IonicContact NH1-OE1 2.64Å; R32-E224 PolarHBondContact NH1-OE1 3.19Å; R32-E224 IonicContact NH1-OE2 2.8Å; R32-E224 PolarHBondContact NH1-OE2 3.46Å
33G93.3Very high96.5Very high50 Ų5048.2 Ų48.252%0.51524%0.239SC..THydrogen-bonded Turntrans75.928.2178.100000113.9L29 L30 D31L29-G33 PolarHBondContact O-N 2.89Å; L30-G33 WeakPolarHBondContact O-CA 3.48Å; L30-G33 PolarHBondContact O-N 3.37Å; D31-G33 VanDerWaalsContact C-N 3.29Å
34Y94.2Very high96.2Very high37 Ų3747.8 Ų47.815%0.14525%0.246CC..  trans-79.1143169.1-72.9-104000110.8K10 C12 L29 R32 L72K10-Y34 HydrophobicContact CB-CD1 3.98Å; K10-Y34 HydrophobicContact CB-CE1 4.33Å; K10-Y34 HydrophobicContact CB-CG 4.25Å; K10-Y34 CarbonylContact O-C 3.41Å; K10-Y34 VanDerWaalsContact O-CA 3.23Å; K10-Y34 WeakPolarHBondContact O-CA 3.43Å; C12-Y34 HydrophobicContact CB-CD1 4.28Å; L29-Y34 HydrophobicContact CB-CD2 4.48Å; L29-Y34 HydrophobicContact CB-CG 4.45Å; L29-Y34 HydrophobicContact CD2-CD1 4.35Å; L29-Y34 HydrophobicContact CD2-CD2 3.91Å; L29-Y34 HydrophobicContact CD2-CE2 4.11Å; L29-Y34 HydrophobicContact CD2-CG 4.04Å; L29-Y34 WeakPolarHBondContact O-CB 3.49Å; L29-Y34 WeakPolarHBondContact O-CD2 3.5Å; L29-Y34 PolarHBondContact O-N 3.05Å; R32-Y34 HydrophobicContact CB-CD2 3.86Å; R32-Y34 HydrophobicContact CB-CE2 3.94Å; Y34-L72 HydrophobicContact CE1-CD2 4.34Å
35S94.2Very high95.9Very high63 Ų6348 Ų4844%0.44125%0.246SC..EExtended strand (participates in β ladder)trans-81.3118.8158.9-55.50000108.3K10 R11 C12K10-S35 PolarHBondContact O-N 3.46Å; R11-S35 VanDerWaalsContact CA-O 3.31Å; R11-S35 WeakPolarHBondContact CA-O 3.41Å; C12-S35 PolarHBondContact N-O 2.95Å
36V96.8Very high95.6Very high2 Ų255.9 Ų55.91%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-112.1123.4-170.3-173.50000110.7C12 V14 V26 L29 L30 V38 V50 T51C12-V36 WeakPolarHBondContact O-CA 3.36Å; V14-V36 HydrophobicContact CG2-CG1 3.98Å; V26-V36 HydrophobicContact CG1-CG1 4.16Å; V26-V36 HydrophobicContact CG2-CG1 4.1Å; L29-V36 HydrophobicContact CB-CG2 3.74Å; L30-V36 HydrophobicContact CD2-CB 4.25Å; L30-V36 HydrophobicContact CD2-CG2 3.87Å; L30-V36 HydrophobicContact CG-CG2 4.15Å; V36-V38 HydrophobicContact CG1-CG2 4.26Å; V36-V50 HydrophobicContact CB-CG2 4.47Å; V36-V50 WeakPolarHBondContact O-CA 3.34Å; V36-T51 PolarHBondContact O-N 2.93Å
37S97.4Very high95.2Very high10 Ų1058.2 Ų58.27%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-92.5129.4163.3-62.20000109.2C12 A13 V14 T51 A66C12-S37 PolarHBondContact O-N 2.91Å; A13-S37 CarbonylContact C-O 3.51Å; A13-S37 WeakPolarHBondContact CA-O 3.23Å; V14-S37 PolarHBondContact N-O 3.21Å; S37-T51 CarbonylContact C-O 3.48Å; S37-T51 VanDerWaalsContact CA-O 3.3Å; S37-T51 WeakPolarHBondContact CA-O 3.28Å; S37-A66 WeakPolarHBondContact CB-O 3.38Å
38V98.3Very high94.8Very high0 Ų062 Ų620%032%0.324CS..EExtended strand (participates in β ladder)trans-104.3131.7172.8171.40000109V26 V36 V50 T51 F52 H53V26-V38 HydrophobicContact CB-CG2 4.47Å; V26-V38 HydrophobicContact CG1-CG2 4.1Å; V26-V38 HydrophobicContact CG2-CG2 3.52Å; V36-V38 HydrophobicContact CG1-CG2 4.26Å; V38-V50 HydrophobicContact CB-CG1 3.99Å; V38-V50 HydrophobicContact CG2-CG1 3.54Å; V38-T51 PolarHBondContact N-O 3.36Å; V38-F52 HydrophobicContact CB-CD2 3.84Å; V38-F52 HydrophobicContact CB-CE2 4.16Å; V38-F52 HydrophobicContact CG1-CD2 3.62Å; V38-F52 HydrophobicContact CG1-CE2 3.4Å; V38-F52 HydrophobicContact CG1-CZ 4.34Å; V38-H53 PolarHBondContact O-N 3.34Å
39F98.4Very high94.2Very high4 Ų460.7 Ų60.72%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-119.3121.7171.2-173.6-89.2000110V14 I15 G16 H53 G55 L57 A62 L63 A66V14-F39 PolarHBondContact O-N 3.29Å; I15-F39 CarbonylContact C-O 3.46Å; I15-F39 WeakPolarHBondContact CA-O 3.38Å; I15-F39 HydrophobicContact CG1-CB 4.35Å; I15-F39 HydrophobicContact CG2-CD1 4.31Å; G16-F39 PolarHBondContact N-O 3.02Å; F39-H53 WeakPolarHBondContact CA-O 3.41Å; F39-H53 HydrophobicContact CD2-CB 3.9Å; F39-G55 VanDerWaalsContact CZ-C 3.44Å; F39-L57 HydrophobicContact CE1-CD1 4.38Å; F39-A62 HydrophobicContact CE2-CB 3.85Å; F39-A62 WeakPolarHBondContact CE2-O 3.31Å; F39-A62 HydrophobicContact CZ-CB 4.04Å; F39-L63 HydrophobicContact CD1-CD2 3.66Å; F39-L63 HydrophobicContact CD1-CG 4.48Å; F39-L63 HydrophobicContact CD2-CD2 4.27Å; F39-L63 HydrophobicContact CE1-CD2 3.63Å; F39-L63 HydrophobicContact CE1-CG 3.97Å; F39-L63 HydrophobicContact CE2-CD2 4.24Å; F39-L63 HydrophobicContact CE2-CG 4.29Å; F39-L63 HydrophobicContact CG-CD2 3.98Å; F39-L63 HydrophobicContact CZ-CD2 3.92Å; F39-L63 HydrophobicContact CZ-CG 3.85Å; F39-A66 HydrophobicContact CB-CB 3.98Å; F39-A66 HydrophobicContact CD2-CB 3.79Å; F39-A66 HydrophobicContact CG-CB 4.29Å
40D98.1Very high94.1Very high22 Ų2262.1 Ų62.112%0.11835%0.345CS..EExtended strand (participates in β ladder)trans-156.2161.1179.6-154-67.4000110.8G16 G17 S18 R42 F52 H53 Q54 G55G16-D40 WeakPolarHBondContact CA-OD2 3.39Å; G17-D40 PolarHBondContact N-OD2 2.77Å; S18-D40 VanDerWaalsContact CB-CG 3.42Å; S18-D40 VanDerWaalsContact CB-OD2 3.28Å; S18-D40 WeakPolarHBondContact CB-OD2 3.49Å; S18-D40 PolarHBondContact N-OD2 3.12Å; D40-R42 PolarHBondContact O-N 2.89Å; D40-R42 PolarHBondContact OD1-N 3.48Å; D40-F52 HydrophobicContact CB-CE2 4.35Å; D40-F52 HydrophobicContact CB-CZ 3.92Å; D40-H53 PolarHBondContact N-O 3.32Å; D40-Q54 WeakPolarHBondContact O-CA 3.4Å; D40-G55 CarbonylContact C-O 3.51Å; D40-G55 PolarHBondContact O-N 3.31Å
41I96Very high94Very high104 Ų10464 Ų6453%0.53336%0.358SS..SBendtrans-70.8-18.6177.9-160.6167.4000112Q54 G55I41-Q54 WeakPolarHBondContact O-CG 3.43Å; I41-Q54 PolarHBondContact O-NE2 3.49Å; I41-G55 WeakPolarHBondContact CA-O 3.48Å; I41-G55 PolarHBondContact N-O 2.78Å
42R94.8Very high94.1Very high159 Ų15960 Ų6060%0.634%0.335SS*.SBendtrans-144.6146.317866.3-178.2-177.3178.51.8111.5S18 D40 F52S18-R42 VanDerWaalsContact CB-O 3.22Å; S18-R42 WeakPolarHBondContact CB-O 3.41Å; S18-R42 PolarHBondContact OG-O 3.2Å; D40-R42 PolarHBondContact O-N 2.89Å; D40-R42 PolarHBondContact OD1-N 3.48Å; R42-F52 VanDerWaalsContact O-CZ 3.29Å; R42-F52 WeakPolarHBondContact O-CZ 3.09Å
43Q94.3Very high94.3Very high88 Ų8857.9 Ų57.941%0.41133%0.328SS..  trans-89.6115.1167.7-168.6167.4-10.500109.8Y45 F52Q43-Y45 VanDerWaalsContact CG-O 3.27Å; Q43-Y45 WeakPolarHBondContact CG-O 3.27Å; Q43-Y45 PolarHBondContact NE2-O 3.13Å; Q43-F52 HydrophobicContact CB-CD1 3.88Å; Q43-F52 HydrophobicContact CB-CD2 4.24Å; Q43-F52 HydrophobicContact CB-CE1 3.54Å; Q43-F52 HydrophobicContact CB-CE2 3.91Å; Q43-F52 HydrophobicContact CB-CG 4.24Å; Q43-F52 HydrophobicContact CB-CZ 3.58Å; Q43-F52 HydrophobicContact CG-CD1 3.98Å; Q43-F52 HydrophobicContact CG-CD2 3.74Å; Q43-F52 HydrophobicContact CG-CE1 4.07Å; Q43-F52 HydrophobicContact CG-CE2 3.81Å; Q43-F52 HydrophobicContact CG-CG 3.84Å; Q43-F52 HydrophobicContact CG-CZ 4Å
44S90.6Very high94.5Very high60 Ų6061.9 Ų61.942%0.4233%0.334SS..  trans-104.4-6.2-179.366.10000114S18S18-S44 WeakPolarHBondContact CB-OG 3.22Å; S18-S44 PolarHBondContact O-OG 2.74Å; S18-S44 VanDerWaalsContact O-OG 3.13Å
45Y92.1Very high94.6Very high20 Ų2060.8 Ų60.88%0.07833%0.333CS..  trans-156.5165177.962.4-94.6000110.8G17 R23 V26 Q43 L47G17-Y45 WeakPolarHBondContact O-CE1 3.33Å; G17-Y45 PolarHBondContact O-OH 2.63Å; R23-Y45 HydrophobicContact CB-CD1 4.46Å; R23-Y45 HydrophobicContact CB-CE1 3.79Å; R23-Y45 HydrophobicContact CG-CD1 4.01Å; R23-Y45 HydrophobicContact CG-CE1 3.65Å; V26-Y45 HydrophobicContact CG1-CE2 4.44Å; V26-Y45 WeakPolarHBondContact CG2-OH 3.13Å; Q43-Y45 VanDerWaalsContact CG-O 3.27Å; Q43-Y45 WeakPolarHBondContact CG-O 3.27Å; Q43-Y45 PolarHBondContact NE2-O 3.13Å; Y45-L47 HydrophobicContact CD2-CB 4.26Å; Y45-L47 HydrophobicContact CD2-CD1 3.82Å; Y45-L47 HydrophobicContact CD2-CG 3.65Å; Y45-L47 HydrophobicContact CE2-CB 4.29Å; Y45-L47 HydrophobicContact CE2-CD1 3.58Å; Y45-L47 HydrophobicContact CE2-CG 3.86Å
46E91.7Very high94.7Very high166 Ų16659.5 Ų59.578%0.77632%0.322SS*.  trans-120.6134167.8-72179.1-170.500108.5
47L90.9Very high94.6Very high49 Ų4960.1 Ų60.126%0.25733%0.325SS..  trans-135.8129.7176-77.6178.2000108.7V26 E27 L30 Y45 G49 V50V26-L47 HydrophobicContact CG1-CD1 4.35Å; E27-L47 HydrophobicContact CG-CD1 3.66Å; L30-L47 HydrophobicContact CD1-CB 4.34Å; L30-L47 HydrophobicContact CD1-CD1 4.25Å; Y45-L47 HydrophobicContact CD2-CB 4.26Å; Y45-L47 HydrophobicContact CD2-CD1 3.82Å; Y45-L47 HydrophobicContact CD2-CG 3.65Å; Y45-L47 HydrophobicContact CE2-CB 4.29Å; Y45-L47 HydrophobicContact CE2-CD1 3.58Å; Y45-L47 HydrophobicContact CE2-CG 3.86Å; L47-G49 PolarHBondContact O-N 2.82Å; L47-V50 HydrophobicContact CB-CG2 4Å; L47-V50 PolarHBondContact O-N 2.97Å
48P89.2Confident94.5Very high125 Ų12561.7 Ų61.781%0.81234%0.335SS*.THydrogen-bonded Turntrans-55.7138.6172.8-24.634.3000111.4V50P48-V50 VanDerWaalsContact C-N 3.34Å
49G85.7Confident94.5Very high62 Ų6265.4 Ų65.464%0.63936%0.355SS*.THydrogen-bonded Turntrans83.63.1179.700000115.5L47L47-G49 PolarHBondContact O-N 2.82Å
50V94.3Very high94.4Very high30 Ų3068.4 Ų68.418%0.18237%0.368CS..EExtended strand (participates in β ladder)trans-102.1132.9171.7174.30000110.7V26 L30 V36 V38 L47 P48V26-V50 HydrophobicContact CG1-CG2 3.65Å; L30-V50 HydrophobicContact CD1-CG2 3.62Å; L30-V50 HydrophobicContact CD2-CG2 4Å; L30-V50 HydrophobicContact CG-CG2 4.23Å; V36-V50 HydrophobicContact CB-CG2 4.47Å; V36-V50 WeakPolarHBondContact O-CA 3.34Å; V38-V50 HydrophobicContact CB-CG1 3.99Å; V38-V50 HydrophobicContact CG2-CG1 3.54Å; L47-V50 HydrophobicContact CB-CG2 4Å; L47-V50 PolarHBondContact O-N 2.97Å; P48-V50 VanDerWaalsContact C-N 3.34Å
51T95.4Very high94.3Very high80 Ų8073.6 Ų73.649%0.49139%0.392SS..EExtended strand (participates in β ladder)trans-95.3115.3165.6-530000108.9V36 S37 V38 H53V36-T51 PolarHBondContact O-N 2.93Å; S37-T51 CarbonylContact C-O 3.48Å; S37-T51 VanDerWaalsContact CA-O 3.3Å; S37-T51 WeakPolarHBondContact CA-O 3.28Å; V38-T51 PolarHBondContact N-O 3.36Å; T51-H53 WeakPolarHBondContact CG2-NE2 3.22Å
52F97.3Very high94.3Very high41 Ų4169.7 Ų69.718%0.1838%0.375CS..EExtended strand (participates in β ladder)trans-92135.5180-164.4-85.1000111.7S18 V38 D40 R42 Q43 Q54S18-F52 WeakPolarHBondContact OG-CE2 3.19Å; V38-F52 HydrophobicContact CB-CD2 3.84Å; V38-F52 HydrophobicContact CB-CE2 4.16Å; V38-F52 HydrophobicContact CG1-CD2 3.62Å; V38-F52 HydrophobicContact CG1-CE2 3.4Å; V38-F52 HydrophobicContact CG1-CZ 4.34Å; D40-F52 HydrophobicContact CB-CE2 4.35Å; D40-F52 HydrophobicContact CB-CZ 3.92Å; R42-F52 VanDerWaalsContact O-CZ 3.29Å; R42-F52 WeakPolarHBondContact O-CZ 3.09Å; Q43-F52 HydrophobicContact CB-CD1 3.88Å; Q43-F52 HydrophobicContact CB-CD2 4.24Å; Q43-F52 HydrophobicContact CB-CE1 3.54Å; Q43-F52 HydrophobicContact CB-CE2 3.91Å; Q43-F52 HydrophobicContact CB-CG 4.24Å; Q43-F52 HydrophobicContact CB-CZ 3.58Å; Q43-F52 HydrophobicContact CG-CD1 3.98Å; Q43-F52 HydrophobicContact CG-CD2 3.74Å; Q43-F52 HydrophobicContact CG-CE1 4.07Å; Q43-F52 HydrophobicContact CG-CE2 3.81Å; Q43-F52 HydrophobicContact CG-CG 3.84Å; Q43-F52 HydrophobicContact CG-CZ 4Å; F52-Q54 HydrophobicContact CD1-CB 4.39Å; F52-Q54 HydrophobicContact CE1-CB 3.82Å; F52-Q54 HydrophobicContact CE1-CG 4.39Å
53H97.2Very high94.4Very high43 Ų4362.1 Ų62.120%0.19935%0.346CS..EExtended strand (participates in β ladder)trans-125.8108.2175-61.7-92.6000108.8V38 F39 D40 T51 S65 A66V38-H53 PolarHBondContact O-N 3.34Å; F39-H53 WeakPolarHBondContact CA-O 3.41Å; F39-H53 HydrophobicContact CD2-CB 3.9Å; D40-H53 PolarHBondContact N-O 3.32Å; T51-H53 WeakPolarHBondContact CG2-NE2 3.22Å; H53-S65 PolarHBondContact CE1-O 3.11Å; H53-A66 HydrophobicContact CB-CB 3.85Å
54Q97.3Very high94.5Very high135 Ų13560 Ų6063%0.63134%0.338SS*.EExtended strand (participates in β ladder)trans-81.8127.7174.6-165.4173.1-35.100110D40 I41 F52D40-Q54 WeakPolarHBondContact O-CA 3.4Å; I41-Q54 WeakPolarHBondContact O-CG 3.43Å; I41-Q54 PolarHBondContact O-NE2 3.49Å; F52-Q54 HydrophobicContact CD1-CB 4.39Å; F52-Q54 HydrophobicContact CE1-CB 3.82Å; F52-Q54 HydrophobicContact CE1-CG 4.39Å
55G96.7Very high94.7Very high13 Ų1360.6 Ų60.613%0.13434%0.342CS..  trans-174.4164.3178.600000113.5F39 D40 I41F39-G55 VanDerWaalsContact CZ-C 3.44Å; D40-G55 CarbonylContact C-O 3.51Å; D40-G55 PolarHBondContact O-N 3.31Å; I41-G55 WeakPolarHBondContact CA-O 3.48Å; I41-G55 PolarHBondContact N-O 2.78Å
56D96.4Very high94.9Very high37 Ų3759.7 Ų59.720%0.19834%0.339CS..  trans-85.9138.7173.5-167.3-72.1000110.4C58 D59 R91D56-C58 PolarHBondContact O-N 3Å; D56-C58 VanDerWaalsContact O-N 3.16Å; D56-C58 WeakPolarHBondContact OD1-CB 3.41Å; D56-C58 PolarHBondContact OD1-N 2.89Å; D56-D59 WeakPolarHBondContact O-CB 3.21Å; D56-D59 PolarHBondContact O-N 2.83Å; D56-R91 IonicContact OD1-CZ 3.03Å; D56-R91 IonicContact OD1-NH1 3.48Å; D56-R91 PolarHBondContact OD1-NH1 3.09Å; D56-R91 IonicContact OD1-NH2 3.07Å; D56-R91 PolarHBondContact OD1-NH2 3.46Å; D56-R91 VanDerWaalsContact OD1-NH2 3.11Å; D56-R91 IonicContact OD2-CZ 3.36Å; D56-R91 IonicContact OD2-NH1 2.73Å; D56-R91 PolarHBondContact OD2-NH1 3.23Å; D56-R91 IonicContact OD2-NH2 3.1Å; D56-R91 PolarHBondContact OD2-NH2 3.43Å
57L94.4Very high95.2Very high14 Ų1451.9 Ų51.97%0.07330%0.302CS..THydrogen-bonded Turntrans-60.7-25-179.8-163.867.1000113.3I15 F39 D59 L63 A77 V92 T99 V100I15-L57 HydrophobicContact CG2-CD1 3.33Å; F39-L57 HydrophobicContact CE1-CD1 4.38Å; L57-D59 VanDerWaalsContact C-N 3.32Å; L57-L63 HydrophobicContact CD1-CD1 4.44Å; L57-L63 HydrophobicContact CD1-CD2 4.24Å; L57-L63 VanDerWaalsContact O-CD1 3.3Å; L57-L63 WeakPolarHBondContact O-CD1 3.33Å; L57-A77 HydrophobicContact CD2-CB 4.37Å; L57-V92 HydrophobicContact CD2-CG1 4.03Å; L57-T99 WeakPolarHBondContact O-CB 3.32Å; L57-T99 WeakPolarHBondContact O-CG2 3.49Å; L57-V100 HydrophobicContact CD1-CG2 3.3Å; L57-V100 HydrophobicContact CD2-CG2 4.39Å; L57-V100 HydrophobicContact CG-CG2 3.88Å
58C95.8Very high95.3Very high43 Ų4356.7 Ų56.729%0.29132%0.321SS..THydrogen-bonded Turntrans-81-11.3175.2-64.90000113.2D56 K60D56-C58 PolarHBondContact O-N 3Å; D56-C58 VanDerWaalsContact O-N 3.16Å; D56-C58 WeakPolarHBondContact OD1-CB 3.41Å; D56-C58 PolarHBondContact OD1-N 2.89Å; C58-K60 PolarHBondContact O-N 3.16Å
59D97.2Very high95.5Very high78 Ų7854.7 Ų54.742%0.41730%0.303SS..  trans-88.4101.5174.5-174.5-16.8000110.5D56 L57 Q61 A62 L63D56-D59 WeakPolarHBondContact O-CB 3.21Å; D56-D59 PolarHBondContact O-N 2.83Å; L57-D59 VanDerWaalsContact C-N 3.32Å; D59-Q61 VanDerWaalsContact C-N 3.31Å; D59-Q61 PolarHBondContact O-N 2.91Å; D59-Q61 PolarHBondContact OD1-N 2.84Å; D59-A62 HydrophobicContact CB-CB 3.9Å; D59-A62 PolarHBondContact O-N 3.27Å; D59-A62 PolarHBondContact OD1-N 2.83Å; D59-A62 VanDerWaalsContact OD1-N 3.11Å; D59-L63 PolarHBondContact O-N 2.92Å; D59-L63 VanDerWaalsContact O-N 3.11Å
60K97.1Very high95.9Very high67 Ų6752 Ų5229%0.29127%0.274SS..Hα-helixtrans-61.3-37179.3-168.9179.5171.7-173.50112.7C58 L63 L64 T99 Q102 A103 D106C58-K60 PolarHBondContact O-N 3.16Å; K60-L63 WeakPolarHBondContact O-CB 3.44Å; K60-L63 PolarHBondContact O-N 3.5Å; K60-L64 WeakPolarHBondContact O-CG 2.97Å; K60-L64 PolarHBondContact O-N 2.7Å; K60-T99 HydrophobicContact CB-CG2 3.72Å; K60-T99 HydrophobicContact CG-CG2 4.25Å; K60-Q102 HydrophobicContact CD-CG 4.34Å; K60-A103 HydrophobicContact CG-CB 4.19Å; K60-D106 WeakPolarHBondContact CE-OD2 3.3Å; K60-D106 IonicContact NZ-OD1 3.97Å; K60-D106 IonicContact NZ-OD2 2.77Å; K60-D106 PolarHBondContact NZ-OD2 3.32Å
61Q95.8Very high96Very high131 Ų13151.7 Ų51.761%0.61227%0.274SS*.Hα-helixtrans-72.8-38.7-176.6-66.1-62.3-12.800111.1D59 L63 L64 S65D59-Q61 VanDerWaalsContact C-N 3.31Å; D59-Q61 PolarHBondContact O-N 2.91Å; D59-Q61 PolarHBondContact OD1-N 2.84Å; Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 3.46Å; Q61-L64 PolarHBondContact O-N 3.35Å; Q61-S65 PolarHBondContact O-N 2.74Å; Q61-S65 PolarHBondContact O-OG 3.4Å
62A95.9Very high96.1Very high22 Ų2248.4 Ų48.418%0.18225%0.253CS..Hα-helixtrans-59.6-4417100000111.1F39 D59 S65F39-A62 HydrophobicContact CE2-CB 3.85Å; F39-A62 WeakPolarHBondContact CE2-O 3.31Å; F39-A62 HydrophobicContact CZ-CB 4.04Å; D59-A62 HydrophobicContact CB-CB 3.9Å; D59-A62 PolarHBondContact O-N 3.27Å; D59-A62 PolarHBondContact OD1-N 2.83Å; D59-A62 VanDerWaalsContact OD1-N 3.11Å; A62-S65 WeakPolarHBondContact O-CB 3.41Å; A62-S65 PolarHBondContact O-N 2.82Å
63L97.4Very high96.1Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-61-46.7175.7-82.2165.7000112.6I15 F39 L57 D59 K60 Q61 S65 A66 L67 T99 V100 A103I15-L63 HydrophobicContact CD1-CD2 3.9Å; I15-L63 HydrophobicContact CG1-CD2 4.42Å; F39-L63 HydrophobicContact CD1-CD2 3.66Å; F39-L63 HydrophobicContact CD1-CG 4.48Å; F39-L63 HydrophobicContact CD2-CD2 4.27Å; F39-L63 HydrophobicContact CE1-CD2 3.63Å; F39-L63 HydrophobicContact CE1-CG 3.97Å; F39-L63 HydrophobicContact CE2-CD2 4.24Å; F39-L63 HydrophobicContact CE2-CG 4.29Å; F39-L63 HydrophobicContact CG-CD2 3.98Å; F39-L63 HydrophobicContact CZ-CD2 3.92Å; F39-L63 HydrophobicContact CZ-CG 3.85Å; L57-L63 HydrophobicContact CD1-CD1 4.44Å; L57-L63 HydrophobicContact CD1-CD2 4.24Å; L57-L63 VanDerWaalsContact O-CD1 3.3Å; L57-L63 WeakPolarHBondContact O-CD1 3.33Å; D59-L63 PolarHBondContact O-N 2.92Å; D59-L63 VanDerWaalsContact O-N 3.11Å; K60-L63 WeakPolarHBondContact O-CB 3.44Å; K60-L63 PolarHBondContact O-N 3.5Å; Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 3.46Å; L63-S65 PolarHBondContact O-N 3Å; L63-S65 VanDerWaalsContact O-N 3.14Å; L63-A66 PolarHBondContact O-N 3.44Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.36Å; L63-T99 HydrophobicContact CD1-CG2 3.76Å; L63-V100 HydrophobicContact CD1-CG2 4.03Å; L63-V100 HydrophobicContact CD2-CG2 4.35Å; L63-A103 HydrophobicContact CB-CB 3.86Å; L63-A103 HydrophobicContact CD1-CB 4.3Å
64L97.3Very high96.2Very high44 Ų4444.4 Ų44.423%0.2324%0.235CC..Hα-helixtrans-56.2-33.5180-74.2175000112.6K60 Q61 A66 L67 K68 A103 D106 A107K60-L64 WeakPolarHBondContact O-CG 2.97Å; K60-L64 PolarHBondContact O-N 2.7Å; Q61-L64 PolarHBondContact O-N 3.35Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.59Å; L64-L67 PolarHBondContact O-N 2.79Å; L64-K68 PolarHBondContact O-N 2.75Å; L64-A103 HydrophobicContact CD2-CB 4.31Å; L64-D106 HydrophobicContact CD2-CB 4.02Å; L64-A107 HydrophobicContact CD2-CB 4.03Å
65S94.6Very high96.3Very high73 Ų7338 Ų3851%0.5121%0.205SC..Hα-helixtrans-63.5-39.5175.8-59.40000112.4H53 Q61 A62 L63 L67H53-S65 PolarHBondContact CE1-O 3.11Å; Q61-S65 PolarHBondContact O-N 2.74Å; Q61-S65 PolarHBondContact O-OG 3.4Å; A62-S65 WeakPolarHBondContact O-CB 3.41Å; A62-S65 PolarHBondContact O-N 2.82Å; L63-S65 PolarHBondContact O-N 3Å; L63-S65 VanDerWaalsContact O-N 3.14Å; S65-L67 VanDerWaalsContact C-N 3.34Å
66A95.7Very high96.4Very high1 Ų138.4 Ų38.41%0.00821%0.206CC..Hα-helixtrans-76.1-21.9176.800000113.5S37 F39 H53 L63 L64 V70S37-A66 WeakPolarHBondContact CB-O 3.38Å; F39-A66 HydrophobicContact CB-CB 3.98Å; F39-A66 HydrophobicContact CD2-CB 3.79Å; F39-A66 HydrophobicContact CG-CB 4.29Å; H53-A66 HydrophobicContact CB-CB 3.85Å; L63-A66 PolarHBondContact O-N 3.44Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.59Å; A66-V70 WeakPolarHBondContact O-CG2 3.46Å
67L97.3Very high96.4Very high1 Ų137.5 Ų37.51%0.00520%0.203CC..THydrogen-bonded Turntrans-93.21.6-177.6-61.6-178.1000114A13 L63 L64 S65 D69 V70 V73 A103 A107 V109A13-L67 HydrophobicContact CB-CD2 3.87Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.36Å; L64-L67 PolarHBondContact O-N 2.79Å; S65-L67 VanDerWaalsContact C-N 3.34Å; L67-D69 PolarHBondContact O-N 2.97Å; L67-V70 WeakPolarHBondContact O-CB 3.44Å; L67-V70 PolarHBondContact O-N 3.11Å; L67-V70 VanDerWaalsContact O-N 3.12Å; L67-V73 HydrophobicContact CD2-CG2 3.39Å; L67-A103 HydrophobicContact CD1-CB 3.74Å; L67-A107 HydrophobicContact CB-CB 3.73Å; L67-A107 HydrophobicContact CD1-CB 4.36Å; L67-V109 HydrophobicContact CB-CG2 4.47Å; L67-V109 HydrophobicContact CD1-CG2 4.45Å; L67-V109 HydrophobicContact CD2-CG2 4.31Å
68K93.8Very high96.5Very high150 Ų15038.9 Ų38.965%0.65221%0.214SC*.THydrogen-bonded Turntrans-60121.5179.1-173.1-179.2177.7-178.90111.5L64 V70L64-K68 PolarHBondContact O-N 2.75Å; K68-V70 PolarHBondContact O-N 3.29Å
69D92.6Very high96.4Very high83 Ų8337.6 Ų37.644%0.44421%0.205SC..THydrogen-bonded Turntrans5823.9-178-54.8-54.2000114.1R11 L67R11-D69 WeakPolarHBondContact CD-O 3.37Å; R11-D69 IonicContact NH1-OD2 3.83Å; L67-D69 PolarHBondContact O-N 2.97Å
70V95.4Very high96Very high5 Ų535.8 Ų35.83%0.0320%0.201CC..  trans-93.2131.1176.6171.40000109.9R11 A13 A66 L67 K68 L72 V73 V109R11-V70 HydrophobicContact CG-CG2 4.09Å; A13-V70 HydrophobicContact CB-CG1 4.04Å; A13-V70 HydrophobicContact CB-CG2 4.23Å; A66-V70 WeakPolarHBondContact O-CG2 3.46Å; L67-V70 WeakPolarHBondContact O-CB 3.44Å; L67-V70 PolarHBondContact O-N 3.11Å; L67-V70 VanDerWaalsContact O-N 3.12Å; K68-V70 PolarHBondContact O-N 3.29Å; V70-L72 WeakPolarHBondContact CG1-O 3.2Å; V70-V73 HydrophobicContact CG1-CG2 3.96Å; V70-V109 HydrophobicContact CG1-CG2 4.5Å
71S94.6Very high95.4Very high24 Ų2435.2 Ų35.217%0.16821%0.205CC..SBendtrans-101.3-18.6174.960.10000113.4R11 Q110 K111R11-S71 PolarHBondContact O-N 2.93Å; S71-Q110 PolarHBondContact O-N 2.95Å; S71-K111 PolarHBondContact O-N 3.2Å
72L97.9Very high94.7Very high11 Ų1132.6 Ų32.66%0.05820%0.2CC..EExtended strand (participates in β ladder)trans-134.1128.3-173.8169.664.1000111.1C12 A13 Y34 V70 F74 K111 V113 A223C12-L72 CarbonylContact C-O 3.45Å; C12-L72 WeakPolarHBondContact CA-O 3.4Å; C12-L72 HydrophobicContact CB-CB 4.12Å; C12-L72 HydrophobicContact CB-CD2 4.15Å; C12-L72 HydrophobicContact CB-CG 4.11Å; C12-L72 WeakPolarHBondContact CB-O 3.48Å; A13-L72 PolarHBondContact N-O 3.01Å; Y34-L72 HydrophobicContact CE1-CD2 4.34Å; V70-L72 WeakPolarHBondContact CG1-O 3.2Å; L72-F74 HydrophobicContact CD1-CE2 4.35Å; L72-F74 HydrophobicContact CD1-CZ 4.33Å; L72-F74 HydrophobicContact CD2-CE2 3.55Å; L72-F74 HydrophobicContact CD2-CZ 3.7Å; L72-F74 HydrophobicContact CG-CD2 4.32Å; L72-F74 HydrophobicContact CG-CE2 3.79Å; L72-F74 HydrophobicContact CG-CZ 4.15Å; L72-K111 WeakPolarHBondContact CA-O 3.45Å; L72-K111 HydrophobicContact CB-CB 4.46Å; L72-K111 HydrophobicContact CD1-CB 3.6Å; L72-K111 HydrophobicContact CD1-CD 4.39Å; L72-V113 HydrophobicContact CD1-CG2 4.06Å; L72-A223 HydrophobicContact CD1-CB 3.77Å; L72-A223 HydrophobicContact CD2-CB 3.68Å; L72-A223 HydrophobicContact CG-CB 4.38Å
73V98.8Very high94.3Very high0 Ų033.4 Ų33.40%021%0.205CC..EExtended strand (participates in β ladder)trans-120132.1176.3176.90000110.1A13 I15 L67 V70 V109 K111 L112 V113A13-V73 HydrophobicContact CB-CG2 4.29Å; A13-V73 CarbonylContact O-C 3.51Å; A13-V73 WeakPolarHBondContact O-CA 3.31Å; I15-V73 HydrophobicContact CD1-CG1 3.64Å; I15-V73 HydrophobicContact CG1-CG1 4.02Å; L67-V73 HydrophobicContact CD2-CG2 3.39Å; V70-V73 HydrophobicContact CG1-CG2 3.96Å; V73-V109 HydrophobicContact CB-CG1 4.31Å; V73-V109 HydrophobicContact CG2-CB 4.43Å; V73-V109 HydrophobicContact CG2-CG1 3.68Å; V73-V109 HydrophobicContact CG2-CG2 3.87Å; V73-K111 PolarHBondContact N-O 3.46Å; V73-L112 HydrophobicContact CB-CD1 3.89Å; V73-L112 HydrophobicContact CG1-CD1 3.7Å; V73-L112 WeakPolarHBondContact O-CA 3.31Å; V73-V113 PolarHBondContact O-N 2.75Å
74F98.9Very high93.5Very high1 Ų138.6 Ų38.60%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-102.6119.4165.8-62.3-87.4000108.9C12 A13 V14 I15 L25 L29 L72 V113 H219 A223C12-F74 HydrophobicContact CB-CD2 4.47Å; C12-F74 HydrophobicContact CB-CE2 4.23Å; A13-F74 PolarHBondContact O-N 2.9Å; V14-F74 HydrophobicContact CG1-CB 4.47Å; V14-F74 HydrophobicContact CG2-CB 4.36Å; V14-F74 HydrophobicContact CG2-CD2 4.23Å; I15-F74 PolarHBondContact N-O 3.31Å; L25-F74 HydrophobicContact CD2-CB 3.65Å; L25-F74 HydrophobicContact CD2-CD1 3.79Å; L25-F74 HydrophobicContact CD2-CD2 4.24Å; L25-F74 HydrophobicContact CD2-CE1 4.47Å; L25-F74 HydrophobicContact CD2-CG 3.65Å; L29-F74 HydrophobicContact CD1-CD2 3.96Å; L29-F74 HydrophobicContact CD1-CE2 3.76Å; L29-F74 HydrophobicContact CD2-CE2 3.87Å; L29-F74 HydrophobicContact CD2-CZ 4.14Å; L29-F74 HydrophobicContact CG-CE2 4.45Å; L72-F74 HydrophobicContact CD1-CE2 4.35Å; L72-F74 HydrophobicContact CD1-CZ 4.33Å; L72-F74 HydrophobicContact CD2-CE2 3.55Å; L72-F74 HydrophobicContact CD2-CZ 3.7Å; L72-F74 HydrophobicContact CG-CD2 4.32Å; L72-F74 HydrophobicContact CG-CE2 3.79Å; L72-F74 HydrophobicContact CG-CZ 4.15Å; F74-V113 CarbonylContact C-O 3.6Å; F74-V113 WeakPolarHBondContact CA-O 3.39Å; F74-V113 HydrophobicContact CD1-CB 3.7Å; F74-V113 HydrophobicContact CD1-CG1 3.98Å; F74-V113 HydrophobicContact CD1-CG2 4.16Å; F74-V113 HydrophobicContact CE1-CB 4.05Å; F74-V113 HydrophobicContact CE1-CG1 4.25Å; F74-V113 HydrophobicContact CE1-CG2 4.03Å; F74-H219 HydrophobicContact CD1-CB 4.21Å; F74-H219 HydrophobicContact CE1-CB 4.05Å; F74-A223 HydrophobicContact CE1-CB 3.88Å; F74-A223 HydrophobicContact CZ-CB 3.66Å
75H98.8Very high93.1Very high0 Ų040.2 Ų40.20%024%0.241CC..EExtended strand (participates in β ladder)trans-10396178-175.814.4000110.1A77 T97 L112 V113 L114 T115 Q151H75-A77 PolarHBondContact CE1-O 3.24Å; H75-T97 PolarHBondContact NE2-OG1 3.18Å; H75-L112 HydrophobicContact CB-CD1 3.98Å; H75-V113 PolarHBondContact N-O 3.47Å; H75-L114 HydrophobicContact CB-CD1 4.33Å; H75-T115 PolarHBondContact O-N 3.17Å; H75-Q151 PolarHBondContact NE2-NE2 3.49Å; H75-Q151 VanDerWaalsContact NE2-NE2 3.19Å
76C98.5Very high92.9Very high21 Ų2142.1 Ų42.114%0.14224%0.238CC..  trans-103.9-9.4-179.8-56.80000113.1I15 S78 T115I15-C76 CarbonylContact O-C 3.47Å; I15-C76 WeakPolarHBondContact O-CA 3.48Å; I15-C76 WeakPolarHBondContact O-CB 3.05Å; I15-C76 PolarHBondContact O-N 3.08Å; C76-S78 PolarHBondContact O-N 3.21Å; C76-T115 PolarHBondContact SG-OG1 2.94Å
77A97.2Very high92.8Very high18 Ų1848.3 Ų48.315%0.14927%0.27CS..  trans-66.3125.2-17700000112.8I15 L57 H75I15-A77 HydrophobicContact CG2-CB 3.92Å; I15-A77 PolarHBondContact O-N 2.83Å; I15-A77 VanDerWaalsContact O-N 3.09Å; L57-A77 HydrophobicContact CD2-CB 4.37Å; H75-A77 PolarHBondContact CE1-O 3.24Å
78S95.1Very high92.7Very high43 Ų4351 Ų5130%0.30128%0.284SS..  trans-159149.6169.9-161.40000108.7C76 N93C76-S78 PolarHBondContact O-N 3.21Å; S78-N93 WeakPolarHBondContact CA-OD1 3.41Å; S78-N93 WeakPolarHBondContact CB-OD1 3.41Å; S78-N93 VanDerWaalsContact OG-CG 3.31Å; S78-N93 PolarHBondContact OG-ND2 3.11Å; S78-N93 VanDerWaalsContact OG-ND2 3.14Å; S78-N93 PolarHBondContact OG-OD1 3.42Å
79P94.1Very high92.8Very high16 Ų1644 Ų4410%0.10425%0.254CS..  trans-63161.2168.7-1833000111.1L88 F89 V92 N93P79-L88 HydrophobicContact CB-CD2 3.98Å; P79-L88 HydrophobicContact CB-CG 4.15Å; P79-L88 HydrophobicContact CG-CD2 4.2Å; P79-L88 HydrophobicContact CG-CG 3.81Å; P79-F89 HydrophobicContact CB-CD1 3.91Å; P79-F89 HydrophobicContact CB-CE1 3.67Å; P79-F89 HydrophobicContact CB-CZ 4.3Å; P79-F89 HydrophobicContact CG-CD1 3.72Å; P79-F89 HydrophobicContact CG-CE1 4.01Å; P79-F89 HydrophobicContact CG-CG 4.4Å; P79-V92 HydrophobicContact CG-CB 3.93Å; P79-V92 HydrophobicContact CG-CG1 4.27Å; P79-V92 HydrophobicContact CG-CG2 4.13Å; P79-N93 WeakPolarHBondContact CD-OD1 3.46Å
80A88.9Confident93Very high41 Ų4143.5 Ų43.534%0.33925%0.248SC..  trans-58.4131.4175.500000110.6S82 S83 F89 Q182A80-S82 PolarHBondContact O-N 3.36Å; A80-S83 WeakPolarHBondContact O-CB 3.44Å; A80-S83 PolarHBondContact O-N 2.92Å; A80-F89 VanDerWaalsContact O-CZ 3.24Å; A80-F89 WeakPolarHBondContact O-CZ 3.38Å; A80-Q182 VanDerWaalsContact CB-NE2 3.3Å
81P85.8Confident93Very high55 Ų5547.9 Ų47.936%0.35726%0.264SS..THydrogen-bonded Turntrans-53.7-27.7177-2833.5000114.1S83 Y144P81-S83 VanDerWaalsContact C-N 3.29Å; P81-S83 PolarHBondContact O-N 3.15Å; P81-Y144 HydrophobicContact CB-CD1 4.05Å; P81-Y144 HydrophobicContact CB-CD2 4.07Å; P81-Y144 HydrophobicContact CB-CE1 4.28Å; P81-Y144 HydrophobicContact CB-CE2 4.29Å; P81-Y144 HydrophobicContact CB-CG 3.93Å; P81-Y144 HydrophobicContact CG-CD1 4.38Å; P81-Y144 HydrophobicContact CG-CD2 4.03Å; P81-Y144 HydrophobicContact CG-CE1 4.15Å; P81-Y144 HydrophobicContact CG-CE2 3.78Å; P81-Y144 HydrophobicContact CG-CG 4.32Å
82S81.1Confident93.2Very high75 Ų7547.8 Ų47.852%0.52426%0.263SS..THydrogen-bonded Turntrans-80.2-0.3176.765.40000115.1A80A80-S82 PolarHBondContact O-N 3.36Å
83S85.5Confident93.2Very high39 Ų3947.2 Ų47.227%0.27326%0.26SS..  trans-69.2142.9177.8-176.20000110.9A80 P81 D85 F89A80-S83 WeakPolarHBondContact O-CB 3.44Å; A80-S83 PolarHBondContact O-N 2.92Å; P81-S83 VanDerWaalsContact C-N 3.29Å; P81-S83 PolarHBondContact O-N 3.15Å; S83-D85 PolarHBondContact OG-N 3.34Å; S83-F89 WeakPolarHBondContact O-CE2 3.33Å
84D80.9Confident93.1Very high109 Ų10949.2 Ų49.258%0.58327%0.27SS*.  trans-95.4-1.7171.9-62.1-41000112.4R86 K293D84-R86 PolarHBondContact O-N 2.95Å; D84-R86 VanDerWaalsContact O-N 3.11Å; D84-K293 WeakPolarHBondContact OD2-CD 3.47Å; D84-K293 WeakPolarHBondContact OD2-CE 3.49Å; D84-K293 IonicContact OD2-NZ 3.11Å; D84-K293 PolarHBondContact OD2-NZ 2.86Å
85D89.5Confident93.1Very high78 Ų7856.6 Ų56.642%0.41730%0.298SS..  trans-81.993.6-176.5-169.2-19.2000111.1S83 L87 L88 F89S83-D85 PolarHBondContact OG-N 3.34Å; D85-L87 VanDerWaalsContact C-N 3.34Å; D85-L87 PolarHBondContact O-N 2.89Å; D85-L87 PolarHBondContact OD1-N 3.29Å; D85-L87 VanDerWaalsContact OD1-N 3.08Å; D85-L88 HydrophobicContact CB-CB 3.72Å; D85-L88 HydrophobicContact CB-CD2 4.37Å; D85-L88 PolarHBondContact O-N 2.74Å; D85-L88 PolarHBondContact OD1-N 3.47Å; D85-F89 VanDerWaalsContact O-CD2 3.27Å; D85-F89 WeakPolarHBondContact O-CD2 3.16Å; D85-F89 PolarHBondContact O-N 3.38Å; D85-F89 VanDerWaalsContact O-N 3.15Å
86R90.6Very high93.1Very high114 Ų11456.6 Ų56.643%0.4330%0.298SS..Hα-helixtrans-60.5-41.9177.6-62.9-179.364.3179.90.6112.7D84 L88 F89 E90 Y143D84-R86 PolarHBondContact O-N 2.95Å; D84-R86 VanDerWaalsContact O-N 3.11Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 3.08Å; R86-F89 PolarHBondContact O-N 2.84Å; R86-E90 PolarHBondContact O-N 2.92Å; R86-Y143 HydrophobicContact CG-CD1 4.17Å; R86-Y143 HydrophobicContact CG-CD2 3.53Å; R86-Y143 HydrophobicContact CG-CE1 4.31Å; R86-Y143 HydrophobicContact CG-CE2 3.63Å; R86-Y143 HydrophobicContact CG-CG 3.81Å; R86-Y143 PolarHBondContact NE-OH 3.26Å; R86-Y143 PolarHBondContact NH1-OH 3.07Å
87L94.2Very high93.1Very high130 Ų13055.6 Ų55.668%0.68129%0.291SS*.Hα-helixtrans-67.7-36.5-177.9-66.3176.5000110.1D85 E90 R91D85-L87 VanDerWaalsContact C-N 3.34Å; D85-L87 PolarHBondContact O-N 2.89Å; D85-L87 PolarHBondContact OD1-N 3.29Å; D85-L87 VanDerWaalsContact OD1-N 3.08Å; L87-E90 PolarHBondContact O-N 2.84Å; L87-R91 WeakPolarHBondContact O-CB 3.34Å; L87-R91 PolarHBondContact O-N 3.03Å
88L94.8Very high93.2Very high59 Ų5959.3 Ų59.331%0.30931%0.305SS..Hα-helixtrans-62.7-42.7173.1-177.764.5000111.9P79 D85 R86 R91 V92P79-L88 HydrophobicContact CB-CD2 3.98Å; P79-L88 HydrophobicContact CB-CG 4.15Å; P79-L88 HydrophobicContact CG-CD2 4.2Å; P79-L88 HydrophobicContact CG-CG 3.81Å; D85-L88 HydrophobicContact CB-CB 3.72Å; D85-L88 HydrophobicContact CB-CD2 4.37Å; D85-L88 PolarHBondContact O-N 2.74Å; D85-L88 PolarHBondContact OD1-N 3.47Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 3.08Å; L88-R91 PolarHBondContact O-N 3.28Å; L88-V92 HydrophobicContact CD1-CG2 3.79Å; L88-V92 HydrophobicContact CG-CG2 4.39Å; L88-V92 WeakPolarHBondContact O-CB 3.37Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 2.95Å
89F95.4Very high93.3Very high3 Ų358.6 Ų58.61%0.01330%0.299CS..Hα-helixtrans-61.5-48.8175.4-79.6-61.5000112.5P79 A80 S83 D85 R86 R91 V92 N93 Y144 T147P79-F89 HydrophobicContact CB-CD1 3.91Å; P79-F89 HydrophobicContact CB-CE1 3.67Å; P79-F89 HydrophobicContact CB-CZ 4.3Å; P79-F89 HydrophobicContact CG-CD1 3.72Å; P79-F89 HydrophobicContact CG-CE1 4.01Å; P79-F89 HydrophobicContact CG-CG 4.4Å; A80-F89 VanDerWaalsContact O-CZ 3.24Å; A80-F89 WeakPolarHBondContact O-CZ 3.38Å; S83-F89 WeakPolarHBondContact O-CE2 3.33Å; D85-F89 VanDerWaalsContact O-CD2 3.27Å; D85-F89 WeakPolarHBondContact O-CD2 3.16Å; D85-F89 PolarHBondContact O-N 3.38Å; D85-F89 VanDerWaalsContact O-N 3.15Å; R86-F89 PolarHBondContact O-N 2.84Å; F89-R91 VanDerWaalsContact C-N 3.34Å; F89-R91 PolarHBondContact O-N 2.8Å; F89-V92 PolarHBondContact O-N 3.09Å; F89-N93 VanDerWaalsContact O-CB 3.28Å; F89-N93 WeakPolarHBondContact O-CB 3.32Å; F89-N93 PolarHBondContact O-N 3.39Å; F89-Y144 HydrophobicContact CD1-CD2 4.48Å; F89-Y144 AromaticContact CE1-CD2 3.71Å; F89-Y144 HydrophobicContact CE1-CD2 3.71Å; F89-Y144 HydrophobicContact CE1-CG 4.39Å; F89-Y144 HydrophobicContact CZ-CD2 4.25Å; F89-T147 HydrophobicContact CB-CG2 3.84Å
90E96.3Very high93.6Very high71 Ų7157.9 Ų57.933%0.33229%0.294SS..Iπ-helixtrans-62.4-42.8177.3-69.9177.4-172.400111.5R86 L87 I94 R95 T147R86-E90 PolarHBondContact O-N 2.92Å; L87-E90 PolarHBondContact O-N 2.84Å; E90-I94 HydrophobicContact CG-CD1 4.34Å; E90-I94 WeakPolarHBondContact O-CA 3.29Å; E90-I94 VanDerWaalsContact O-CB 3.27Å; E90-I94 WeakPolarHBondContact O-CB 3.46Å; E90-I94 PolarHBondContact O-N 2.86Å; E90-I94 VanDerWaalsContact O-N 3.17Å; E90-R95 PolarHBondContact O-N 2.85Å; E90-T147 HydrophobicContact CG-CG2 4.33Å
91R96.9Very high94Very high97 Ų9756.8 Ų56.837%0.36628%0.283SS..Iπ-helixtrans-62.1-46.8178.7-176.7176.6-177.8-92.80.5111.9D56 L87 L88 F89 R95 G96D56-R91 IonicContact OD1-CZ 3.03Å; D56-R91 IonicContact OD1-NH1 3.48Å; D56-R91 PolarHBondContact OD1-NH1 3.09Å; D56-R91 IonicContact OD1-NH2 3.07Å; D56-R91 PolarHBondContact OD1-NH2 3.46Å; D56-R91 VanDerWaalsContact OD1-NH2 3.11Å; D56-R91 IonicContact OD2-CZ 3.36Å; D56-R91 IonicContact OD2-NH1 2.73Å; D56-R91 PolarHBondContact OD2-NH1 3.23Å; D56-R91 IonicContact OD2-NH2 3.1Å; D56-R91 PolarHBondContact OD2-NH2 3.43Å; L87-R91 WeakPolarHBondContact O-CB 3.34Å; L87-R91 PolarHBondContact O-N 3.03Å; L88-R91 PolarHBondContact O-N 3.28Å; F89-R91 VanDerWaalsContact C-N 3.34Å; F89-R91 PolarHBondContact O-N 2.8Å; R91-R95 WeakPolarHBondContact O-CB 3.36Å; R91-G96 PolarHBondContact O-N 2.96Å
92V97.1Very high94.6Very high22 Ų2258.4 Ų58.413%0.13329%0.286CS..Iπ-helixtrans-82.6-56.1-175.4177.10000111.5L57 P79 L88 F89 G96 T97L57-V92 HydrophobicContact CD2-CG1 4.03Å; P79-V92 HydrophobicContact CG-CB 3.93Å; P79-V92 HydrophobicContact CG-CG1 4.27Å; P79-V92 HydrophobicContact CG-CG2 4.13Å; L88-V92 HydrophobicContact CD1-CG2 3.79Å; L88-V92 HydrophobicContact CG-CG2 4.39Å; L88-V92 WeakPolarHBondContact O-CB 3.37Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 2.95Å; F89-V92 PolarHBondContact O-N 3.09Å; V92-G96 WeakPolarHBondContact O-CA 3.5Å; V92-G96 PolarHBondContact O-N 3.25Å; V92-T97 PolarHBondContact O-N 3.09Å
93N98.2Very high95.5Very high0 Ų054.9 Ų54.90%026%0.261CS..Iπ-helixtrans-75.9-27.7-171.2-70-11.4000112.9S78 P79 F89 T97 T147 Q151S78-N93 WeakPolarHBondContact CA-OD1 3.41Å; S78-N93 WeakPolarHBondContact CB-OD1 3.41Å; S78-N93 VanDerWaalsContact OG-CG 3.31Å; S78-N93 PolarHBondContact OG-ND2 3.11Å; S78-N93 VanDerWaalsContact OG-ND2 3.14Å; S78-N93 PolarHBondContact OG-OD1 3.42Å; P79-N93 WeakPolarHBondContact CD-OD1 3.46Å; F89-N93 VanDerWaalsContact O-CB 3.28Å; F89-N93 WeakPolarHBondContact O-CB 3.32Å; F89-N93 PolarHBondContact O-N 3.39Å; N93-T97 VanDerWaalsContact O-CB 3.25Å; N93-T97 WeakPolarHBondContact O-CB 3.38Å; N93-T97 PolarHBondContact O-OG1 3.19Å; N93-T147 PolarHBondContact ND2-OG1 3.45Å; N93-Q151 HydrophobicContact CB-CB 4.33Å; N93-Q151 VanDerWaalsContact O-CB 3.29Å; N93-Q151 WeakPolarHBondContact O-CB 3.34Å; N93-Q151 WeakPolarHBondContact O-CG 3.18Å
94I98.1Very high96.1Very high41 Ų4153 Ų5321%0.2125%0.248CC..Iπ-helixtrans-102.5-68.9-179.6-51.9178.6000110E90 G96 T97 Q98 T147 E150 L154E90-I94 HydrophobicContact CG-CD1 4.34Å; E90-I94 WeakPolarHBondContact O-CA 3.29Å; E90-I94 VanDerWaalsContact O-CB 3.27Å; E90-I94 WeakPolarHBondContact O-CB 3.46Å; E90-I94 PolarHBondContact O-N 2.86Å; E90-I94 VanDerWaalsContact O-N 3.17Å; I94-G96 PolarHBondContact O-N 3.41Å; I94-T97 PolarHBondContact O-N 3.36Å; I94-Q98 WeakPolarHBondContact O-CG 3.48Å; I94-Q98 PolarHBondContact O-N 3Å; I94-T147 HydrophobicContact CD1-CG2 4.12Å; I94-T147 HydrophobicContact CG1-CG2 4.43Å; I94-E150 HydrophobicContact CD1-CB 4.12Å; I94-E150 HydrophobicContact CD1-CG 4.49Å; I94-E150 HydrophobicContact CG1-CB 4.15Å; I94-L154 HydrophobicContact CG2-CD1 3.97Å
95R98.3Very high96.8Very high157 Ų15751.5 Ų51.559%0.59224%0.239SC*.Iπ-helixtrans-64.6-45.7-174.5-61-177.2-174.9176.32.5111.7E90 R91 T97 Q98 T99E90-R95 PolarHBondContact O-N 2.85Å; R91-R95 WeakPolarHBondContact O-CB 3.36Å; R95-T97 VanDerWaalsContact C-N 3.35Å; R95-T97 PolarHBondContact O-N 3.24Å; R95-Q98 WeakPolarHBondContact O-CB 3.41Å; R95-Q98 PolarHBondContact O-N 3.13Å; R95-T99 PolarHBondContact O-N 2.85Å; R95-T99 PolarHBondContact O-OG1 2.69Å
96G98.4Very high97.2Very high0 Ų051.9 Ų51.90%024%0.241CC..Iπ-helixtrans-59.1-44.9176.400000111.9R91 V92 I94 Q98 T99 V100R91-G96 PolarHBondContact O-N 2.96Å; V92-G96 WeakPolarHBondContact O-CA 3.5Å; V92-G96 PolarHBondContact O-N 3.25Å; I94-G96 PolarHBondContact O-N 3.41Å; G96-Q98 VanDerWaalsContact C-N 3.35Å; G96-Q98 PolarHBondContact O-N 3.33Å; G96-T99 CarbonylContact O-C 3.57Å; G96-T99 WeakPolarHBondContact O-CB 3.41Å; G96-T99 PolarHBondContact O-N 3.01Å; G96-T99 VanDerWaalsContact O-N 3.13Å; G96-V100 WeakPolarHBondContact O-CG2 3.29Å; G96-V100 PolarHBondContact O-N 2.92Å
97T98.8Very high97.5Very high0 Ų048.3 Ų48.30%024%0.236CC..Hα-helixtrans-60.9-40.7174.8-55.90000112.7H75 V92 N93 I94 R95 T99 V100 I101 Q151 L154 V155H75-T97 PolarHBondContact NE2-OG1 3.18Å; V92-T97 PolarHBondContact O-N 3.09Å; N93-T97 VanDerWaalsContact O-CB 3.25Å; N93-T97 WeakPolarHBondContact O-CB 3.38Å; N93-T97 PolarHBondContact O-OG1 3.19Å; I94-T97 PolarHBondContact O-N 3.36Å; R95-T97 VanDerWaalsContact C-N 3.35Å; R95-T97 PolarHBondContact O-N 3.24Å; T97-T99 VanDerWaalsContact C-N 3.31Å; T97-T99 PolarHBondContact O-N 3.01Å; T97-V100 WeakPolarHBondContact O-CB 3.38Å; T97-V100 PolarHBondContact O-N 2.86Å; T97-I101 HydrophobicContact CG2-CD1 4.05Å; T97-I101 WeakPolarHBondContact O-CG1 3.37Å; T97-I101 PolarHBondContact O-N 3.43Å; T97-Q151 HydrophobicContact CG2-CG 3.94Å; T97-Q151 WeakPolarHBondContact OG1-CG 3.34Å; T97-Q151 PolarHBondContact OG1-NE2 3.08Å; T97-L154 HydrophobicContact CG2-CB 4.38Å; T97-V155 HydrophobicContact CG2-CG2 3.58Å
98Q98.7Very high97.6Very high96 Ų9644.5 Ų44.545%0.44923%0.229SC..Hα-helixtrans-59.4-44.2173.8-70.1168.9-26.900111I94 R95 G96 I101 Q102 L154I94-Q98 WeakPolarHBondContact O-CG 3.48Å; I94-Q98 PolarHBondContact O-N 3Å; R95-Q98 WeakPolarHBondContact O-CB 3.41Å; R95-Q98 PolarHBondContact O-N 3.13Å; G96-Q98 VanDerWaalsContact C-N 3.35Å; G96-Q98 PolarHBondContact O-N 3.33Å; Q98-I101 PolarHBondContact O-N 3.11Å; Q98-Q102 PolarHBondContact O-N 2.99Å; Q98-L154 HydrophobicContact CG-CD1 3.86Å; Q98-L154 HydrophobicContact CG-CD2 4.05Å
99T98.7Very high97.7Very high28 Ų2842 Ų4217%0.17222%0.216CC..Hα-helixtrans-61.9-42.6175.2-550000111.9L57 K60 L63 R95 G96 T97 Q102 A103L57-T99 WeakPolarHBondContact O-CB 3.32Å; L57-T99 WeakPolarHBondContact O-CG2 3.49Å; K60-T99 HydrophobicContact CB-CG2 3.72Å; K60-T99 HydrophobicContact CG-CG2 4.25Å; L63-T99 HydrophobicContact CD1-CG2 3.76Å; R95-T99 PolarHBondContact O-N 2.85Å; R95-T99 PolarHBondContact O-OG1 2.69Å; G96-T99 CarbonylContact O-C 3.57Å; G96-T99 WeakPolarHBondContact O-CB 3.41Å; G96-T99 PolarHBondContact O-N 3.01Å; G96-T99 VanDerWaalsContact O-N 3.13Å; T97-T99 VanDerWaalsContact C-N 3.31Å; T97-T99 PolarHBondContact O-N 3.01Å; T99-Q102 PolarHBondContact O-N 3.27Å; T99-A103 VanDerWaalsContact O-CB 3.31Å; T99-A103 WeakPolarHBondContact O-CB 3.46Å; T99-A103 PolarHBondContact O-N 3.31Å
100V98.8Very high97.8Very high0 Ų046.9 Ų46.90%024%0.239CC..Hα-helixtrans-59.3-49.1175.3170.90000111.2I15 L57 L63 G96 T97 Q102 A103 C104 L112I15-V100 HydrophobicContact CD1-CB 4.32Å; I15-V100 HydrophobicContact CD1-CG1 3.59Å; I15-V100 HydrophobicContact CD1-CG2 3.72Å; L57-V100 HydrophobicContact CD1-CG2 3.3Å; L57-V100 HydrophobicContact CD2-CG2 4.39Å; L57-V100 HydrophobicContact CG-CG2 3.88Å; L63-V100 HydrophobicContact CD1-CG2 4.03Å; L63-V100 HydrophobicContact CD2-CG2 4.35Å; G96-V100 WeakPolarHBondContact O-CG2 3.29Å; G96-V100 PolarHBondContact O-N 2.92Å; T97-V100 WeakPolarHBondContact O-CB 3.38Å; T97-V100 PolarHBondContact O-N 2.86Å; V100-Q102 VanDerWaalsContact C-N 3.31Å; V100-Q102 PolarHBondContact O-N 3.44Å; V100-A103 PolarHBondContact O-N 3.14Å; V100-C104 WeakPolarHBondContact O-CB 3.32Å; V100-C104 PolarHBondContact O-N 3.33Å; V100-C104 PolarHBondContact O-SG 3.27Å; V100-L112 HydrophobicContact CG1-CD1 4.36Å
101I98.7Very high97.9Very high19 Ų1945.7 Ų45.710%0.09723%0.232CC..Hα-helixtrans-58-47.6178.9-68.8163.3000109.7T97 Q98 C104 L105 L112 L154 V155 A158 F165T97-I101 HydrophobicContact CG2-CD1 4.05Å; T97-I101 WeakPolarHBondContact O-CG1 3.37Å; T97-I101 PolarHBondContact O-N 3.43Å; Q98-I101 PolarHBondContact O-N 3.11Å; I101-C104 WeakPolarHBondContact O-CB 3.39Å; I101-C104 PolarHBondContact O-N 3.11Å; I101-L105 HydrophobicContact CG2-CD1 4.13Å; I101-L105 VanDerWaalsContact O-CG 3.32Å; I101-L105 WeakPolarHBondContact O-CG 3.32Å; I101-L105 PolarHBondContact O-N 2.65Å; I101-L112 HydrophobicContact CG1-CD2 4.1Å; I101-L154 HydrophobicContact CD1-CB 4.08Å; I101-V155 HydrophobicContact CD1-CG2 4.18Å; I101-A158 HydrophobicContact CD1-CB 4.21Å; I101-A158 HydrophobicContact CG1-CB 4.46Å; I101-A158 HydrophobicContact CG2-CB 3.81Å; I101-F165 HydrophobicContact CG2-CE1 4.24Å
102Q98.4Very high97.9Very high89 Ų8941 Ų4142%0.41622%0.215SC..Hα-helixtrans-65.1-41.4179.5-169.763.557.400112.4K60 Q98 T99 V100 C104 L105 D106K60-Q102 HydrophobicContact CD-CG 4.34Å; Q98-Q102 PolarHBondContact O-N 2.99Å; T99-Q102 PolarHBondContact O-N 3.27Å; V100-Q102 VanDerWaalsContact C-N 3.31Å; V100-Q102 PolarHBondContact O-N 3.44Å; Q102-C104 VanDerWaalsContact C-N 3.35Å; Q102-L105 PolarHBondContact O-N 2.92Å; Q102-D106 PolarHBondContact NE2-OD1 2.86Å; Q102-D106 WeakPolarHBondContact O-CB 3.42Å; Q102-D106 PolarHBondContact O-N 2.84Å
103A98.5Very high98Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-64.5-39.817700000111.6K60 L63 L64 L67 T99 V100 D106 A107K60-A103 HydrophobicContact CG-CB 4.19Å; L63-A103 HydrophobicContact CB-CB 3.86Å; L63-A103 HydrophobicContact CD1-CB 4.3Å; L64-A103 HydrophobicContact CD2-CB 4.31Å; L67-A103 HydrophobicContact CD1-CB 3.74Å; T99-A103 VanDerWaalsContact O-CB 3.31Å; T99-A103 WeakPolarHBondContact O-CB 3.46Å; T99-A103 PolarHBondContact O-N 3.31Å; V100-A103 PolarHBondContact O-N 3.14Å; A103-D106 PolarHBondContact O-N 3.48Å; A103-A107 WeakPolarHBondContact O-CB 3.44Å; A103-A107 PolarHBondContact O-N 3.46Å
104C98.3Very high98.1Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-59.8-47.3173.6-76.40000111.8V100 I101 Q102 A107 G108 V109 F165V100-C104 WeakPolarHBondContact O-CB 3.32Å; V100-C104 PolarHBondContact O-N 3.33Å; V100-C104 PolarHBondContact O-SG 3.27Å; I101-C104 WeakPolarHBondContact O-CB 3.39Å; I101-C104 PolarHBondContact O-N 3.11Å; Q102-C104 VanDerWaalsContact C-N 3.35Å; C104-A107 PolarHBondContact O-N 3.23Å; C104-G108 PolarHBondContact O-N 2.94Å; C104-G108 VanDerWaalsContact O-N 3.09Å; C104-V109 HydrophobicContact CB-CB 3.83Å; C104-V109 HydrophobicContact CB-CG1 4.22Å; C104-V109 HydrophobicContact CB-CG2 4.15Å; C104-V109 WeakPolarHBondContact O-CB 3.35Å; C104-V109 PolarHBondContact O-N 3.44Å; C104-F165 HydrophobicContact CB-CE2 3.72Å; C104-F165 HydrophobicContact CB-CZ 3.85Å
105L97.3Very high98.1Very high77 Ų7738.6 Ų38.640%0.40320%0.202SC..Hα-helixtrans-62.1-46178.5-69.5172.1000111.6I101 Q102 A107 G108 F165I101-L105 HydrophobicContact CG2-CD1 4.13Å; I101-L105 VanDerWaalsContact O-CG 3.32Å; I101-L105 WeakPolarHBondContact O-CG 3.32Å; I101-L105 PolarHBondContact O-N 2.65Å; Q102-L105 PolarHBondContact O-N 2.92Å; L105-A107 PolarHBondContact O-N 3.46Å; L105-G108 PolarHBondContact O-N 3.28Å; L105-F165 HydrophobicContact CD2-CB 3.91Å; L105-F165 HydrophobicContact CD2-CD1 3.67Å; L105-F165 HydrophobicContact CD2-CD2 4.24Å; L105-F165 HydrophobicContact CD2-CE1 4.22Å; L105-F165 HydrophobicContact CD2-CG 3.67Å; L105-F165 HydrophobicContact CG-CD1 4.41Å
106D97.1Very high98.1Very high86 Ų8631.3 Ų31.346%0.4618%0.175SC..Hα-helixtrans-65.7-37.4179.4-74.222.5000112.6K60 L64 Q102 A103 G108K60-D106 WeakPolarHBondContact CE-OD2 3.3Å; K60-D106 IonicContact NZ-OD1 3.97Å; K60-D106 IonicContact NZ-OD2 2.77Å; K60-D106 PolarHBondContact NZ-OD2 3.32Å; L64-D106 HydrophobicContact CD2-CB 4.02Å; Q102-D106 PolarHBondContact NE2-OD1 2.86Å; Q102-D106 WeakPolarHBondContact O-CB 3.42Å; Q102-D106 PolarHBondContact O-N 2.84Å; A103-D106 PolarHBondContact O-N 3.48Å; D106-G108 VanDerWaalsContact C-N 3.26Å; D106-G108 PolarHBondContact O-N 3.05Å
107A96.7Very high98.1Very high39 Ų3931.8 Ų31.832%0.32218%0.178SC..Hα-helixtrans-78.9-7.2177.700000113.6L64 L67 A103 C104 L105 V109L64-A107 HydrophobicContact CD2-CB 4.03Å; L67-A107 HydrophobicContact CB-CB 3.73Å; L67-A107 HydrophobicContact CD1-CB 4.36Å; A103-A107 WeakPolarHBondContact O-CB 3.44Å; A103-A107 PolarHBondContact O-N 3.46Å; C104-A107 PolarHBondContact O-N 3.23Å; L105-A107 PolarHBondContact O-N 3.46Å; A107-V109 VanDerWaalsContact C-N 3.35Å; A107-V109 HydrophobicContact CB-CG2 4.31Å
108G96.1Very high98Very high51 Ų5131.8 Ų31.853%0.52618%0.178SC..THydrogen-bonded Turntrans71.127.1-176.800000114.1C104 L105 D106C104-G108 PolarHBondContact O-N 2.94Å; C104-G108 VanDerWaalsContact O-N 3.09Å; L105-G108 PolarHBondContact O-N 3.28Å; D106-G108 VanDerWaalsContact C-N 3.26Å; D106-G108 PolarHBondContact O-N 3.05Å
109V97.3Very high97.8Very high6 Ų627.9 Ų27.94%0.03616%0.161CC..  trans-60138.9170.4171.80000108.7L67 V70 V73 C104 A107 K111 F165L67-V109 HydrophobicContact CB-CG2 4.47Å; L67-V109 HydrophobicContact CD1-CG2 4.45Å; L67-V109 HydrophobicContact CD2-CG2 4.31Å; V70-V109 HydrophobicContact CG1-CG2 4.5Å; V73-V109 HydrophobicContact CB-CG1 4.31Å; V73-V109 HydrophobicContact CG2-CB 4.43Å; V73-V109 HydrophobicContact CG2-CG1 3.68Å; V73-V109 HydrophobicContact CG2-CG2 3.87Å; C104-V109 HydrophobicContact CB-CB 3.83Å; C104-V109 HydrophobicContact CB-CG1 4.22Å; C104-V109 HydrophobicContact CB-CG2 4.15Å; C104-V109 WeakPolarHBondContact O-CB 3.35Å; C104-V109 PolarHBondContact O-N 3.44Å; A107-V109 VanDerWaalsContact C-N 3.35Å; A107-V109 HydrophobicContact CB-CG2 4.31Å; V109-K111 WeakPolarHBondContact CG1-O 3.32Å; V109-F165 HydrophobicContact CG1-CE2 4.33Å; V109-F165 VanDerWaalsContact O-CD2 3.29Å; V109-F165 WeakPolarHBondContact O-CD2 3.35Å
110Q96.8Very high97.7Very high106 Ų10626.5 Ų26.550%0.49515%0.153SC..  trans-100-28.5-176.6-64.3177.1-19.200112.8S71 G164 L166S71-Q110 PolarHBondContact O-N 2.95Å; Q110-G164 WeakPolarHBondContact CA-O 3.43Å; Q110-L166 PolarHBondContact O-N 3.43Å
111K98.2Very high97.6Very high45 Ų4527 Ų2720%0.19616%0.156CC..EExtended strand (participates in β ladder)trans-133.1130.1-172.1-63.4-173.2-169.2-161.10111.3S71 L72 V73 V109 L166 A223 L226S71-K111 PolarHBondContact O-N 3.2Å; L72-K111 WeakPolarHBondContact CA-O 3.45Å; L72-K111 HydrophobicContact CB-CB 4.46Å; L72-K111 HydrophobicContact CD1-CB 3.6Å; L72-K111 HydrophobicContact CD1-CD 4.39Å; V73-K111 PolarHBondContact N-O 3.46Å; V109-K111 WeakPolarHBondContact CG1-O 3.32Å; K111-L166 CarbonylContact C-O 3.59Å; K111-L166 WeakPolarHBondContact CA-O 3.49Å; K111-A223 PolarHBondContact NZ-O 2.88Å; K111-L226 HydrophobicContact CB-CD2 3.96Å; K111-L226 HydrophobicContact CD-CB 4.22Å; K111-L226 HydrophobicContact CD-CD2 4.32Å; K111-L226 HydrophobicContact CD-CG 4.42Å; K111-L226 WeakPolarHBondContact CE-O 3.27Å; K111-L226 HydrophobicContact CG-CD2 4.06Å; K111-L226 HydrophobicContact CG-CG 4.41Å; K111-L226 PolarHBondContact NZ-O 2.95Å
112L98.8Very high97.3Very high0 Ų026.2 Ų26.20%015%0.152CC..EExtended strand (participates in β ladder)trans-124.6114.5172.9178.160.8000110.4V73 H75 V100 I101 V155 F165 L166 T167 V168V73-L112 HydrophobicContact CB-CD1 3.89Å; V73-L112 HydrophobicContact CG1-CD1 3.7Å; V73-L112 WeakPolarHBondContact O-CA 3.31Å; H75-L112 HydrophobicContact CB-CD1 3.98Å; V100-L112 HydrophobicContact CG1-CD1 4.36Å; I101-L112 HydrophobicContact CG1-CD2 4.1Å; L112-V155 HydrophobicContact CD2-CG1 3.91Å; L112-V155 HydrophobicContact CD2-CG2 4.17Å; L112-V155 HydrophobicContact CG-CG1 4.16Å; L112-F165 HydrophobicContact CB-CE2 4.12Å; L112-F165 HydrophobicContact CB-CZ 3.88Å; L112-F165 HydrophobicContact CD2-CZ 3.93Å; L112-L166 PolarHBondContact N-O 2.85Å; L112-T167 HydrophobicContact CB-CG2 4.1Å; L112-T167 VanDerWaalsContact O-CA 3.25Å; L112-T167 WeakPolarHBondContact O-CA 3.16Å; L112-V168 PolarHBondContact O-N 3.3Å; L112-V168 VanDerWaalsContact O-N 3.1Å
113V98.9Very high96.9Very high0 Ų025.5 Ų25.50%015%0.148CC..EExtended strand (participates in β ladder)trans-101.8114.5174.1-177.70000108.4L72 V73 F74 H75 V168 I170 A222 A223L72-V113 HydrophobicContact CD1-CG2 4.06Å; V73-V113 PolarHBondContact O-N 2.75Å; F74-V113 CarbonylContact C-O 3.6Å; F74-V113 WeakPolarHBondContact CA-O 3.39Å; F74-V113 HydrophobicContact CD1-CB 3.7Å; F74-V113 HydrophobicContact CD1-CG1 3.98Å; F74-V113 HydrophobicContact CD1-CG2 4.16Å; F74-V113 HydrophobicContact CE1-CB 4.05Å; F74-V113 HydrophobicContact CE1-CG1 4.25Å; F74-V113 HydrophobicContact CE1-CG2 4.03Å; H75-V113 PolarHBondContact N-O 3.47Å; V113-V168 WeakPolarHBondContact CA-O 3.45Å; V113-V168 HydrophobicContact CB-CG1 4.21Å; V113-V168 HydrophobicContact CG1-CG1 4.09Å; V113-V168 HydrophobicContact CG2-CG1 3.78Å; V113-I170 HydrophobicContact CG1-CG1 4.08Å; V113-A222 HydrophobicContact CG1-CB 4.45Å; V113-A223 HydrophobicContact CG2-CB 3.99Å
114L98.9Very high96.4Very high1 Ų126.2 Ų26.21%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-91.8131.6176.6171.868.9000110.5H75 S116 Q151 E152 V155 V168 A169 I170H75-L114 HydrophobicContact CB-CD1 4.33Å; L114-S116 PolarHBondContact O-N 3.47Å; L114-Q151 HydrophobicContact CD1-CG 3.88Å; L114-Q151 HydrophobicContact CD2-CG 4.07Å; L114-E152 HydrophobicContact CD2-CB 4.24Å; L114-E152 HydrophobicContact CD2-CG 4.47Å; L114-V155 HydrophobicContact CB-CB 4.32Å; L114-V155 HydrophobicContact CB-CG1 3.95Å; L114-V155 HydrophobicContact CB-CG2 4.26Å; L114-V155 HydrophobicContact CD1-CG2 4.38Å; L114-V155 HydrophobicContact CD2-CB 3.96Å; L114-V155 HydrophobicContact CD2-CG1 4.45Å; L114-V155 HydrophobicContact CD2-CG2 3.9Å; L114-V155 HydrophobicContact CG-CG2 4.39Å; L114-V168 PolarHBondContact N-O 3.42Å; L114-A169 HydrophobicContact CB-CB 4.44Å; L114-A169 HydrophobicContact CD2-CB 4.34Å; L114-A169 WeakPolarHBondContact O-CA 3.08Å; L114-I170 PolarHBondContact O-N 2.91Å
115T98.8Very high96Very high11 Ų1130.2 Ų30.27%0.06718%0.181CC..EExtended strand (participates in β ladder)trans-77.7101.9158.1-50.70000108.2L21 H75 C76 K148 P172 H219L21-T115 HydrophobicContact CD2-CG2 3.41Å; L21-T115 VanDerWaalsContact CD2-CG2 3.41Å; H75-T115 PolarHBondContact O-N 3.17Å; C76-T115 PolarHBondContact SG-OG1 2.94Å; T115-K148 PolarHBondContact O-NZ 3.36Å; T115-P172 HydrophobicContact CG2-CG 4.27Å; T115-H219 PolarHBondContact OG1-NE2 3.47Å
116S98.4Very high95.8Very high3 Ų330.5 Ų30.52%0.02118%0.182CC..  trans-88.5-147.6170.4-168.40000110.3L114 E152 I170L114-S116 PolarHBondContact O-N 3.47Å; S116-E152 WeakPolarHBondContact CB-OE2 3.49Å; S116-E152 PolarHBondContact OG-OE2 2.95Å; S116-I170 CarbonylContact C-O 3.49Å; S116-I170 VanDerWaalsContact CA-O 3.26Å; S116-I170 WeakPolarHBondContact CA-O 3.44Å; S116-I170 WeakPolarHBondContact CB-O 3.45Å; S116-I170 PolarHBondContact N-O 3.22Å
117S97.4Very high95.8Very high10 Ų1027.1 Ų27.17%0.0717%0.165CC..  trans-153.2142.4-178.9179.20000109.7S119 V120S117-S119 WeakPolarHBondContact CB-OG 3.31Å; S117-S119 PolarHBondContact O-N 3.48Å; S117-S119 WeakPolarHBondContact OG-CB 3.25Å; S117-S119 PolarHBondContact OG-N 3.28Å; S117-S119 VanDerWaalsContact OG-N 3.14Å; S117-S119 PolarHBondContact OG-OG 3Å; S117-V120 WeakPolarHBondContact O-CG1 3.42Å; S117-V120 WeakPolarHBondContact O-CG2 3.49Å; S117-V120 PolarHBondContact O-N 2.65Å
118A96.8Very high95.8Very high0 Ų030.6 Ų30.60%017%0.173CC..G310 helixtrans-62.7-20.2169.600000112.4V120 V121 P172 H173 Y310A118-V120 PolarHBondContact O-N 3.07Å; A118-V120 VanDerWaalsContact O-N 3.12Å; A118-V121 VanDerWaalsContact O-CG2 3.3Å; A118-V121 WeakPolarHBondContact O-CG2 3.44Å; A118-V121 PolarHBondContact O-N 2.8Å; A118-P172 PolarHBondContact N-O 3.23Å; A118-H173 HydrophobicContact CB-CB 3.75Å; A118-Y310 HydrophobicContact CB-CD2 3.84Å; A118-Y310 HydrophobicContact CB-CE1 4.39Å; A118-Y310 HydrophobicContact CB-CE2 3.57Å; A118-Y310 HydrophobicContact CB-CG 4.36Å; A118-Y310 PolarHBondContact O-OH 3.1Å
119S94.5Very high95.8Very high14 Ų1432 Ų3210%0.09817%0.169CC..G310 helixtrans-61.2-20.7176.273.20000113.9S117 V121 F122 T145S117-S119 WeakPolarHBondContact CB-OG 3.31Å; S117-S119 PolarHBondContact O-N 3.48Å; S117-S119 WeakPolarHBondContact OG-CB 3.25Å; S117-S119 PolarHBondContact OG-N 3.28Å; S117-S119 VanDerWaalsContact OG-N 3.14Å; S117-S119 PolarHBondContact OG-OG 3Å; S119-V121 PolarHBondContact O-N 3.27Å; S119-F122 PolarHBondContact O-N 3.5Å; S119-T145 WeakPolarHBondContact O-CG2 3.41Å; S119-T145 PolarHBondContact OG-OG1 2.98Å
120V97.1Very high95.8Very high0 Ų032 Ų320%017%0.17CC..G310 helixtrans-61.5-17.2-178.6-57.80000113.8S117 A118 Y136 A137 K148 I149 R171S117-V120 WeakPolarHBondContact O-CG1 3.42Å; S117-V120 WeakPolarHBondContact O-CG2 3.49Å; S117-V120 PolarHBondContact O-N 2.65Å; A118-V120 PolarHBondContact O-N 3.07Å; A118-V120 VanDerWaalsContact O-N 3.12Å; V120-Y136 HydrophobicContact CB-CD1 4.08Å; V120-Y136 HydrophobicContact CB-CE1 4.28Å; V120-Y136 HydrophobicContact CG2-CD1 4.18Å; V120-Y136 HydrophobicContact CG2-CE1 4.14Å; V120-Y136 WeakPolarHBondContact O-CA 3.35Å; V120-A137 PolarHBondContact O-N 3.24Å; V120-K148 HydrophobicContact CG1-CB 3.7Å; V120-I149 HydrophobicContact CB-CG1 3.67Å; V120-I149 HydrophobicContact CG1-CG1 4.03Å; V120-I149 WeakPolarHBondContact O-CG1 3.38Å; V120-R171 HydrophobicContact CG2-CG 4.4Å; V120-R171 VanDerWaalsContact CG2-NE 3.32Å
121V96.1Very high95.8Very high10 Ų1031.7 Ų31.76%0.06117%0.167CC..G310 helixtrans-114.39.7175.5-60.90000112.7A118 S119 L134 Y310A118-V121 VanDerWaalsContact O-CG2 3.3Å; A118-V121 WeakPolarHBondContact O-CG2 3.44Å; A118-V121 PolarHBondContact O-N 2.8Å; S119-V121 PolarHBondContact O-N 3.27Å; V121-L134 HydrophobicContact CB-CB 4.04Å; V121-L134 HydrophobicContact CG1-CB 4.06Å; V121-L134 WeakPolarHBondContact CG1-O 3.28Å; V121-L134 HydrophobicContact CG2-CB 4.48Å; V121-L134 HydrophobicContact CG2-CD1 4.33Å; V121-Y310 HydrophobicContact CG2-CD1 4.34Å; V121-Y310 HydrophobicContact CG2-CE1 3.56Å
122F93Very high95.6Very high3 Ų330.3 Ų30.31%0.01316%0.161CC..  trans-107.5127.5-176.8-177.1-113.1000111.9S119 T125 V127 I141 L303 T306 H308S119-F122 PolarHBondContact O-N 3.5Å; F122-T125 WeakPolarHBondContact CE2-O 3.35Å; F122-V127 HydrophobicContact CD2-CG2 4.05Å; F122-I141 HydrophobicContact CD1-CD1 3.56Å; F122-I141 HydrophobicContact CD1-CG1 4.5Å; F122-I141 HydrophobicContact CE1-CD1 3.68Å; F122-L303 HydrophobicContact CD1-CD2 4.2Å; F122-L303 HydrophobicContact CE1-CD2 3.54Å; F122-L303 HydrophobicContact CE1-CG 4.28Å; F122-L303 HydrophobicContact CZ-CD2 4.26Å; F122-T306 WeakPolarHBondContact CZ-OG1 3.42Å; F122-H308 HydrophobicContact CD2-CB 4.01Å; F122-H308 HydrophobicContact CE2-CB 3.78Å; F122-H308 AromaticContact CE2-CD2 3.99Å; F122-H308 HydrophobicContact CZ-CB 4.44Å; F122-H308 AromaticContact CZ-CD2 3.83Å
123E90.3Very high95.3Very high73 Ų7336.4 Ų36.434%0.34119%0.193SC..  trans-116.215.2-176.7-64.8-170.9132.300113.5T125 A137 K138 K139 I141E123-T125 VanDerWaalsContact C-N 3.3Å; E123-A137 HydrophobicContact CG-CB 3.42Å; E123-A137 VanDerWaalsContact CG-CB 3.42Å; E123-A137 WeakPolarHBondContact OE1-CA 3.36Å; E123-K138 VanDerWaalsContact OE1-CA 3.27Å; E123-K138 WeakPolarHBondContact OE1-CA 3.39Å; E123-K138 WeakPolarHBondContact OE1-CB 3.4Å; E123-K138 PolarHBondContact OE1-N 2.75Å; E123-K139 PolarHBondContact OE1-N 2.83Å; E123-I141 WeakPolarHBondContact O-CG2 3.12Å
124G87.3Confident95.1Very high16 Ų1639.2 Ų39.217%0.16521%0.208CC..SBendtrans79.816.9-17600000113.2I141G124-I141 VanDerWaalsContact N-CG2 3.27Å
125T89.8Confident95Very high84 Ų8443.4 Ų43.452%0.51524%0.236SC..SBendtrans-118.6161173.653.10000109.8F122 E123 V127F122-T125 WeakPolarHBondContact CE2-O 3.35Å; E123-T125 VanDerWaalsContact C-N 3.3Å; T125-V127 PolarHBondContact O-N 2.9Å
126D94.5Very high95Very high82 Ų8245.9 Ų45.944%0.43924%0.244SC..  trans-56.2125.3-178.6-81.33.1000112.5K128 T306 Y307D126-K128 WeakPolarHBondContact OD2-CE 3.41Å; D126-K128 IonicContact OD2-NZ 3.23Å; D126-T306 WeakPolarHBondContact OD1-CA 3.41Å; D126-T306 VanDerWaalsContact OD1-CB 3.27Å; D126-T306 WeakPolarHBondContact OD1-CB 2.96Å; D126-Y307 CarbonylContact C-O 3.6Å; D126-Y307 WeakPolarHBondContact CA-O 3.5Å; D126-Y307 WeakPolarHBondContact OD1-CD2 3.06Å; D126-Y307 PolarHBondContact OD1-N 3.04Å; D126-Y307 VanDerWaalsContact OD2-CD2 3.23Å; D126-Y307 WeakPolarHBondContact OD2-CD2 3.4Å
127V96.2Very high94.8Very high16 Ų1646.2 Ų46.210%0.09725%0.247CC..EExtended strand (participates in β ladder)trans-117.7114.7165.6179.30000107.7F122 T125 L134 Y307 H308 Y309 Y310F122-V127 HydrophobicContact CD2-CG2 4.05Å; T125-V127 PolarHBondContact O-N 2.9Å; V127-L134 HydrophobicContact CG1-CD1 3.82Å; V127-Y307 PolarHBondContact N-O 3.21Å; V127-Y307 CarbonylContact O-C 3.55Å; V127-H308 VanDerWaalsContact O-CA 3.25Å; V127-H308 WeakPolarHBondContact O-CA 3.4Å; V127-H308 PolarHBondContact O-N 3.45Å; V127-Y309 PolarHBondContact O-N 2.97Å; V127-Y309 VanDerWaalsContact O-N 3.12Å; V127-Y310 HydrophobicContact CB-CE1 4.48Å; V127-Y310 HydrophobicContact CG1-CD1 4.16Å; V127-Y310 HydrophobicContact CG1-CE1 3.7Å
128K96.8Very high94.6Very high111 Ų11154.4 Ų54.448%0.48328%0.281SS..EExtended strand (participates in β ladder)trans-116.3115.5-178.6-62.1-172.9-175.8-178.70109.4D126 G130 Y307 Y309D126-K128 WeakPolarHBondContact OD2-CE 3.41Å; D126-K128 IonicContact OD2-NZ 3.23Å; K128-G130 VanDerWaalsContact C-N 3.26Å; K128-G130 PolarHBondContact O-N 2.92Å; K128-Y307 HydrophobicContact CD-CD1 4.34Å; K128-Y307 HydrophobicContact CD-CG 4.33Å; K128-Y307 HydrophobicContact CG-CD1 4.39Å; K128-Y307 HydrophobicContact CG-CG 4.23Å; K128-Y309 VanDerWaalsContact CA-CE1 3.45Å; K128-Y309 HydrophobicContact CB-CE1 3.69Å; K128-Y309 HydrophobicContact CG-CE1 3.86Å
129N96.9Very high94.2Very high82 Ų8262.3 Ų62.344%0.43932%0.316SS..EExtended strand (participates in β ladder)trans54.243.7-176.2-160.832.6000112.4K131 Y309 S311N129-K131 PolarHBondContact O-N 2.82Å; N129-Y309 WeakPolarHBondContact CA-O 3.48Å; N129-Y309 HydrophobicContact CB-CD2 4.37Å; N129-Y309 HydrophobicContact CB-CE2 3.67Å; N129-Y309 VanDerWaalsContact N-CZ 3.26Å; N129-Y309 PolarHBondContact N-O 3.15Å; N129-S311 WeakPolarHBondContact OD1-CB 3.38Å
130G96.8Very high93.8Very high6 Ų663.8 Ų63.86%0.06233%0.325CS..EExtended strand (participates in β ladder)trans-63.5132.5-175.700000112.4K128 Y309 Y310 S311K128-G130 VanDerWaalsContact C-N 3.26Å; K128-G130 PolarHBondContact O-N 2.92Å; G130-Y309 PolarHBondContact N-O 3.26Å; G130-Y310 CarbonylContact O-C 3.59Å; G130-Y310 VanDerWaalsContact O-CA 3.23Å; G130-Y310 WeakPolarHBondContact O-CA 3.42Å; G130-Y310 WeakPolarHBondContact O-CB 3.23Å; G130-S311 PolarHBondContact O-N 2.79Å
131K96.4Very high93Very high98 Ų9865.8 Ų65.843%0.42634%0.335SS..  trans-100.5166.3-179.4-70.4-179.7176.3-173.90111.4N129 D133 L134N129-K131 PolarHBondContact O-N 2.82Å; K131-D133 WeakPolarHBondContact CB-OD1 3.25Å; K131-D133 PolarHBondContact O-N 3.1Å; K131-L134 WeakPolarHBondContact O-CB 3.33Å; K131-L134 VanDerWaalsContact O-CG 3.3Å; K131-L134 WeakPolarHBondContact O-CG 3.45Å; K131-L134 PolarHBondContact O-N 2.88Å; K131-L134 VanDerWaalsContact O-N 3.11Å
132E93.4Very high92.5Very high17 Ų1767.2 Ų67.28%0.07934%0.342CS..THydrogen-bonded Turntrans-64.1-20.6-177.3-68.482.6177.100114.4L134 R171 P236 H238 H314E132-L134 VanDerWaalsContact C-N 3.27Å; E132-R171 PolarHBondContact O-NH1 2.93Å; E132-P236 HydrophobicContact CB-CG 4.38Å; E132-P236 WeakPolarHBondContact CG-O 3.36Å; E132-H238 IonicContact OE1-CD2 3.99Å; E132-H238 PolarHBondContact OE1-N 2.77Å; E132-H314 IonicContact OE2-CE1 3.73Å; E132-H314 IonicContact OE2-CG 3.89Å; E132-H314 IonicContact OE2-ND1 3.83Å; E132-H314 PolarHBondContact OE2-ND1 3.11Å
133D93Very high92.2Very high127 Ų12771.8 Ų71.868%0.67936%0.361SS*.THydrogen-bonded Turntrans-78.9-6.5177.265.5-22.5000113.6K131K131-D133 WeakPolarHBondContact CB-OD1 3.25Å; K131-D133 PolarHBondContact O-N 3.1Å
134L95.8Very high92.3Very high59 Ų5969.9 Ų69.931%0.30935%0.35SS..SBendtrans-54.5134.9169.6-74178000110.1V121 V127 K131 E132V121-L134 HydrophobicContact CB-CB 4.04Å; V121-L134 HydrophobicContact CG1-CB 4.06Å; V121-L134 WeakPolarHBondContact CG1-O 3.28Å; V121-L134 HydrophobicContact CG2-CB 4.48Å; V121-L134 HydrophobicContact CG2-CD1 4.33Å; V127-L134 HydrophobicContact CG1-CD1 3.82Å; K131-L134 WeakPolarHBondContact O-CB 3.33Å; K131-L134 VanDerWaalsContact O-CG 3.3Å; K131-L134 WeakPolarHBondContact O-CG 3.45Å; K131-L134 PolarHBondContact O-N 2.88Å; K131-L134 VanDerWaalsContact O-N 3.11Å; E132-L134 VanDerWaalsContact C-N 3.27Å
135P96.2Very high92.6Very high90 Ų9069.1 Ų69.158%0.58434%0.343SS*.PPolyproline II helixtrans-63.8150.1177.928.6-34.7000109.9
136Y97.5Very high92.8Very high63 Ų6369.3 Ų69.325%0.24734%0.337CS..PPolyproline II helixtrans-52.9145167.2-67.9-67000110.8V120 K138 I149 E152 K153V120-Y136 HydrophobicContact CB-CD1 4.08Å; V120-Y136 HydrophobicContact CB-CE1 4.28Å; V120-Y136 HydrophobicContact CG2-CD1 4.18Å; V120-Y136 HydrophobicContact CG2-CE1 4.14Å; V120-Y136 WeakPolarHBondContact O-CA 3.35Å; Y136-K138 PolarHBondContact O-N 3.35Å; Y136-K138 VanDerWaalsContact O-N 3.13Å; Y136-I149 HydrophobicContact CD1-CB 4.32Å; Y136-I149 HydrophobicContact CD1-CG1 4.01Å; Y136-I149 HydrophobicContact CD1-CG2 3.8Å; Y136-I149 HydrophobicContact CD2-CG2 4.5Å; Y136-I149 HydrophobicContact CE1-CG2 4.33Å; Y136-I149 HydrophobicContact CG-CG2 3.87Å; Y136-E152 HydrophobicContact CE1-CB 4.42Å; Y136-E152 HydrophobicContact CE1-CG 4.47Å; Y136-E152 WeakPolarHBondContact CE1-OE1 3.23Å; Y136-E152 PolarHBondContact OH-OE1 2.94Å; Y136-K153 HydrophobicContact CD2-CG 4.42Å; Y136-K153 HydrophobicContact CE2-CD 4.44Å; Y136-K153 HydrophobicContact CE2-CG 3.75Å
137A94.7Very high93Very high10 Ų1065.6 Ų65.68%0.08332%0.318CS..PPolyproline II helixtrans-54.5118.6172.500000110.4V120 E123 I149V120-A137 PolarHBondContact O-N 3.24Å; E123-A137 HydrophobicContact CG-CB 3.42Å; E123-A137 VanDerWaalsContact CG-CB 3.42Å; E123-A137 WeakPolarHBondContact OE1-CA 3.36Å; A137-I149 HydrophobicContact CB-CD1 3.95Å
138K92.9Very high93Very high182 Ų18265 Ų6579%0.79131%0.314SS*.SBendtrans-74.3-31.3170.9-60.4179.3179.9177.10111.7E123 Y136 P140E123-K138 VanDerWaalsContact OE1-CA 3.27Å; E123-K138 WeakPolarHBondContact OE1-CA 3.39Å; E123-K138 WeakPolarHBondContact OE1-CB 3.4Å; E123-K138 PolarHBondContact OE1-N 2.75Å; Y136-K138 PolarHBondContact O-N 3.35Å; Y136-K138 VanDerWaalsContact O-N 3.13Å; K138-P140 VanDerWaalsContact C-CD 3.49Å; K138-P140 WeakPolarHBondContact O-CD 3.47Å
139K89.2Confident93.1Very high165 Ų16560 Ų6072%0.71729%0.292SS*.SBendtrans-120.377.7174.4-63.4-178-172179.10109.2E123 I141E123-K139 PolarHBondContact OE1-N 2.83Å; K139-I141 PolarHBondContact O-N 3.07Å
140P85Confident93.2Very high46 Ų4659.5 Ų59.530%0.29929%0.287SS..  trans-53.7134.1176.2-25.635.2000111.3K138 D142 T145 Q146 I149K138-P140 VanDerWaalsContact C-CD 3.49Å; K138-P140 WeakPolarHBondContact O-CD 3.47Å; P140-D142 VanDerWaalsContact C-N 3.27Å; P140-D142 PolarHBondContact O-N 3.38Å; P140-T145 HydrophobicContact CB-CG2 4.02Å; P140-Q146 HydrophobicContact CB-CB 3.9Å; P140-Q146 HydrophobicContact CG-CB 4.03Å; P140-Q146 HydrophobicContact CG-CG 4.38Å; P140-I149 HydrophobicContact CG-CD1 3.96Å
141I80.9Confident93.3Very high41 Ų4159.2 Ų59.221%0.2128%0.284CS..SBendtrans-73.1-20.6-177.158.8167.9000113.7F122 E123 G124 K139 M299 L303F122-I141 HydrophobicContact CD1-CD1 3.56Å; F122-I141 HydrophobicContact CD1-CG1 4.5Å; F122-I141 HydrophobicContact CE1-CD1 3.68Å; E123-I141 WeakPolarHBondContact O-CG2 3.12Å; G124-I141 VanDerWaalsContact N-CG2 3.27Å; K139-I141 PolarHBondContact O-N 3.07Å; I141-M299 HydrophobicContact CB-CG 4.11Å; I141-M299 HydrophobicContact CD1-CG 3.88Å; I141-M299 HydrophobicContact CG1-CG 4.24Å; I141-L303 HydrophobicContact CD1-CD2 4.34Å; I141-L303 HydrophobicContact CD1-CG 4.46Å
142D85.4Confident93.4Very high40 Ų4054.5 Ų54.521%0.21426%0.264CS..SBendtrans-155.1168.9-18058.430.6000111.6P140 Y144 T145 Q146 M299P140-D142 VanDerWaalsContact C-N 3.27Å; P140-D142 PolarHBondContact O-N 3.38Å; D142-Y144 VanDerWaalsContact C-N 3.27Å; D142-Y144 PolarHBondContact O-N 2.98Å; D142-Y144 WeakPolarHBondContact OD1-CB 3.38Å; D142-Y144 PolarHBondContact OD1-N 2.67Å; D142-T145 PolarHBondContact O-N 3.47Å; D142-T145 WeakPolarHBondContact OD1-CA 3.27Å; D142-T145 WeakPolarHBondContact OD1-CB 3.5Å; D142-T145 PolarHBondContact OD1-N 3.34Å; D142-T145 PolarHBondContact OD1-OG1 3.47Å; D142-Q146 PolarHBondContact O-N 3.21Å; D142-Q146 VanDerWaalsContact O-N 3.11Å; D142-M299 HydrophobicContact CB-SD 4.16Å
143Y87.6Confident93.6Very high100 Ų10057.8 Ų57.839%0.39228%0.278SS..Hα-helixtrans-66.6-29.6178.4-64.1-62000113R86 T147R86-Y143 HydrophobicContact CG-CD1 4.17Å; R86-Y143 HydrophobicContact CG-CD2 3.53Å; R86-Y143 HydrophobicContact CG-CE1 4.31Å; R86-Y143 HydrophobicContact CG-CE2 3.63Å; R86-Y143 HydrophobicContact CG-CG 3.81Å; R86-Y143 PolarHBondContact NE-OH 3.26Å; R86-Y143 PolarHBondContact NH1-OH 3.07Å; Y143-T147 WeakPolarHBondContact O-CG2 3.39Å; Y143-T147 PolarHBondContact O-N 2.76Å; Y143-T147 PolarHBondContact O-OG1 3.46Å
144Y91.6Very high93.9Very high33 Ų3354 Ų5413%0.12926%0.258CS..Hα-helixtrans-58.3-55.5173.2170-104.7000109.9P81 F89 D142 Q146 T147 K148P81-Y144 HydrophobicContact CB-CD1 4.05Å; P81-Y144 HydrophobicContact CB-CD2 4.07Å; P81-Y144 HydrophobicContact CB-CE1 4.28Å; P81-Y144 HydrophobicContact CB-CE2 4.29Å; P81-Y144 HydrophobicContact CB-CG 3.93Å; P81-Y144 HydrophobicContact CG-CD1 4.38Å; P81-Y144 HydrophobicContact CG-CD2 4.03Å; P81-Y144 HydrophobicContact CG-CE1 4.15Å; P81-Y144 HydrophobicContact CG-CE2 3.78Å; P81-Y144 HydrophobicContact CG-CG 4.32Å; F89-Y144 HydrophobicContact CD1-CD2 4.48Å; F89-Y144 AromaticContact CE1-CD2 3.71Å; F89-Y144 HydrophobicContact CE1-CD2 3.71Å; F89-Y144 HydrophobicContact CE1-CG 4.39Å; F89-Y144 HydrophobicContact CZ-CD2 4.25Å; D142-Y144 VanDerWaalsContact C-N 3.27Å; D142-Y144 PolarHBondContact O-N 2.98Å; D142-Y144 WeakPolarHBondContact OD1-CB 3.38Å; D142-Y144 PolarHBondContact OD1-N 2.67Å; Y144-Q146 PolarHBondContact O-N 2.62Å; Y144-T147 PolarHBondContact O-N 2.84Å; Y144-T147 PolarHBondContact O-OG1 2.89Å; Y144-T147 VanDerWaalsContact O-OG1 3.1Å; Y144-K148 HydrophobicContact CD1-CG 4.27Å; Y144-K148 HydrophobicContact CD2-CD 4.35Å; Y144-K148 HydrophobicContact CD2-CG 3.89Å; Y144-K148 HydrophobicContact CE1-CG 3.91Å; Y144-K148 HydrophobicContact CE2-CD 3.66Å; Y144-K148 HydrophobicContact CE2-CG 3.5Å; Y144-K148 HydrophobicContact CG-CG 4.27Å; Y144-K148 WeakPolarHBondContact O-CB 3.44Å; Y144-K148 VanDerWaalsContact O-CG 3.27Å; Y144-K148 WeakPolarHBondContact O-CG 3.43Å; Y144-K148 PolarHBondContact O-N 3.43Å
145T93.6Very high94.1Very high0 Ų051.2 Ų51.20%024%0.243CC..Hα-helixtrans-58.1-46.6179.7-60.70000111.4S119 P140 D142 T147 K148 I149S119-T145 WeakPolarHBondContact O-CG2 3.41Å; S119-T145 PolarHBondContact OG-OG1 2.98Å; P140-T145 HydrophobicContact CB-CG2 4.02Å; D142-T145 PolarHBondContact O-N 3.47Å; D142-T145 WeakPolarHBondContact OD1-CA 3.27Å; D142-T145 WeakPolarHBondContact OD1-CB 3.5Å; D142-T145 PolarHBondContact OD1-N 3.34Å; D142-T145 PolarHBondContact OD1-OG1 3.47Å; T145-T147 PolarHBondContact O-N 3.01Å; T145-K148 PolarHBondContact O-N 3.48Å; T145-I149 HydrophobicContact CG2-CD1 4.04Å; T145-I149 WeakPolarHBondContact O-CD1 3.16Å; T145-I149 VanDerWaalsContact O-CG1 3.25Å; T145-I149 WeakPolarHBondContact O-CG1 3.34Å; T145-I149 PolarHBondContact O-N 3.19Å
146Q95.1Very high94.2Very high87 Ų8747.9 Ų47.941%0.40722%0.22SC..Hα-helixtrans-55.8-50.4176-175.9-176.6-0.900111.7P140 D142 Y144 I149 E150P140-Q146 HydrophobicContact CB-CB 3.9Å; P140-Q146 HydrophobicContact CG-CB 4.03Å; P140-Q146 HydrophobicContact CG-CG 4.38Å; D142-Q146 PolarHBondContact O-N 3.21Å; D142-Q146 VanDerWaalsContact O-N 3.11Å; Y144-Q146 PolarHBondContact O-N 2.62Å; Q146-I149 WeakPolarHBondContact O-CB 3.3Å; Q146-I149 PolarHBondContact O-N 2.9Å; Q146-E150 PolarHBondContact O-N 2.78Å
147T97.2Very high94.2Very high5 Ų548.2 Ų48.23%0.03124%0.243CC..Hα-helixtrans-74.8-27-177.160.20000113.1F89 E90 N93 I94 Y143 Y144 T145 E150 Q151F89-T147 HydrophobicContact CB-CG2 3.84Å; E90-T147 HydrophobicContact CG-CG2 4.33Å; N93-T147 PolarHBondContact ND2-OG1 3.45Å; I94-T147 HydrophobicContact CD1-CG2 4.12Å; I94-T147 HydrophobicContact CG1-CG2 4.43Å; Y143-T147 WeakPolarHBondContact O-CG2 3.39Å; Y143-T147 PolarHBondContact O-N 2.76Å; Y143-T147 PolarHBondContact O-OG1 3.46Å; Y144-T147 PolarHBondContact O-N 2.84Å; Y144-T147 PolarHBondContact O-OG1 2.89Å; Y144-T147 VanDerWaalsContact O-OG1 3.1Å; T145-T147 PolarHBondContact O-N 3.01Å; T147-E150 PolarHBondContact O-N 3.31Å; T147-Q151 VanDerWaalsContact O-CB 3.28Å; T147-Q151 WeakPolarHBondContact O-CB 3.41Å; T147-Q151 PolarHBondContact O-N 3.03Å
148K97.9Very high94.4Very high4 Ų448.9 Ų48.92%0.01725%0.248CC..Hα-helixtrans-67.8-36.7170.7-70.3-58.2-62.2-177.10112.3T115 V120 Y144 T145 Q151 E152T115-K148 PolarHBondContact O-NZ 3.36Å; V120-K148 HydrophobicContact CG1-CB 3.7Å; Y144-K148 HydrophobicContact CD1-CG 4.27Å; Y144-K148 HydrophobicContact CD2-CD 4.35Å; Y144-K148 HydrophobicContact CD2-CG 3.89Å; Y144-K148 HydrophobicContact CE1-CG 3.91Å; Y144-K148 HydrophobicContact CE2-CD 3.66Å; Y144-K148 HydrophobicContact CE2-CG 3.5Å; Y144-K148 HydrophobicContact CG-CG 4.27Å; Y144-K148 WeakPolarHBondContact O-CB 3.44Å; Y144-K148 VanDerWaalsContact O-CG 3.27Å; Y144-K148 WeakPolarHBondContact O-CG 3.43Å; Y144-K148 PolarHBondContact O-N 3.43Å; T145-K148 PolarHBondContact O-N 3.48Å; K148-Q151 PolarHBondContact O-N 3.17Å; K148-E152 WeakPolarHBondContact O-CB 3.29Å; K148-E152 PolarHBondContact O-N 3.25Å
149I98.3Very high94.6Very high4 Ų441.7 Ų41.72%0.02122%0.221CC..Hα-helixtrans-60-50.5172.6-70.6161.5000109.9V120 Y136 A137 P140 T145 Q146 Q151 E152 K153V120-I149 HydrophobicContact CB-CG1 3.67Å; V120-I149 HydrophobicContact CG1-CG1 4.03Å; V120-I149 WeakPolarHBondContact O-CG1 3.38Å; Y136-I149 HydrophobicContact CD1-CB 4.32Å; Y136-I149 HydrophobicContact CD1-CG1 4.01Å; Y136-I149 HydrophobicContact CD1-CG2 3.8Å; Y136-I149 HydrophobicContact CD2-CG2 4.5Å; Y136-I149 HydrophobicContact CE1-CG2 4.33Å; Y136-I149 HydrophobicContact CG-CG2 3.87Å; A137-I149 HydrophobicContact CB-CD1 3.95Å; P140-I149 HydrophobicContact CG-CD1 3.96Å; T145-I149 HydrophobicContact CG2-CD1 4.04Å; T145-I149 WeakPolarHBondContact O-CD1 3.16Å; T145-I149 VanDerWaalsContact O-CG1 3.25Å; T145-I149 WeakPolarHBondContact O-CG1 3.34Å; T145-I149 PolarHBondContact O-N 3.19Å; Q146-I149 WeakPolarHBondContact O-CB 3.3Å; Q146-I149 PolarHBondContact O-N 2.9Å; I149-Q151 PolarHBondContact O-N 2.99Å; I149-E152 PolarHBondContact O-N 2.97Å; I149-K153 HydrophobicContact CG2-CD 4.13Å; I149-K153 VanDerWaalsContact CG2-CE 3.46Å; I149-K153 WeakPolarHBondContact O-CG 3.18Å; I149-K153 PolarHBondContact O-N 3.46Å
150E98.4Very high94.8Very high72 Ų7236.5 Ų36.534%0.33620%0.2SC..Hα-helixtrans-65.9-39179.8-63.2-51.8127.600112I94 Q146 T147 E152 K153 L154I94-E150 HydrophobicContact CD1-CB 4.12Å; I94-E150 HydrophobicContact CD1-CG 4.49Å; I94-E150 HydrophobicContact CG1-CB 4.15Å; Q146-E150 PolarHBondContact O-N 2.78Å; T147-E150 PolarHBondContact O-N 3.31Å; E150-E152 PolarHBondContact O-N 3.3Å; E150-K153 PolarHBondContact O-N 3.47Å; E150-K153 IonicContact OE1-NZ 3.72Å; E150-K153 PolarHBondContact OE1-NZ 2.85Å; E150-L154 WeakPolarHBondContact O-CB 3.3Å; E150-L154 VanDerWaalsContact O-CG 3.24Å; E150-L154 WeakPolarHBondContact O-CG 3.38Å; E150-L154 PolarHBondContact O-N 2.88Å
151Q98.6Very high95.2Very high0 Ų038.9 Ų38.90%021%0.206CC..Hα-helixtrans-58.4-46.3173.2-174172.339.900112.1H75 N93 T97 L114 T147 K148 I149 L154 V155H75-Q151 PolarHBondContact NE2-NE2 3.49Å; H75-Q151 VanDerWaalsContact NE2-NE2 3.19Å; N93-Q151 HydrophobicContact CB-CB 4.33Å; N93-Q151 VanDerWaalsContact O-CB 3.29Å; N93-Q151 WeakPolarHBondContact O-CB 3.34Å; N93-Q151 WeakPolarHBondContact O-CG 3.18Å; T97-Q151 HydrophobicContact CG2-CG 3.94Å; T97-Q151 WeakPolarHBondContact OG1-CG 3.34Å; T97-Q151 PolarHBondContact OG1-NE2 3.08Å; L114-Q151 HydrophobicContact CD1-CG 3.88Å; L114-Q151 HydrophobicContact CD2-CG 4.07Å; T147-Q151 VanDerWaalsContact O-CB 3.28Å; T147-Q151 WeakPolarHBondContact O-CB 3.41Å; T147-Q151 PolarHBondContact O-N 3.03Å; K148-Q151 PolarHBondContact O-N 3.17Å; I149-Q151 PolarHBondContact O-N 2.99Å; Q151-L154 PolarHBondContact O-N 2.66Å; Q151-V155 PolarHBondContact O-N 2.89Å; Q151-V155 VanDerWaalsContact O-N 3.12Å
152E98.8Very high95.6Very high0 Ų042.9 Ų42.90%024%0.235CC..Hα-helixtrans-64.9-45.7179.2-169.4176.599.900111.3L114 S116 Y136 K148 I149 E150 L154 V155 L156 A169 R171L114-E152 HydrophobicContact CD2-CB 4.24Å; L114-E152 HydrophobicContact CD2-CG 4.47Å; S116-E152 WeakPolarHBondContact CB-OE2 3.49Å; S116-E152 PolarHBondContact OG-OE2 2.95Å; Y136-E152 HydrophobicContact CE1-CB 4.42Å; Y136-E152 HydrophobicContact CE1-CG 4.47Å; Y136-E152 WeakPolarHBondContact CE1-OE1 3.23Å; Y136-E152 PolarHBondContact OH-OE1 2.94Å; K148-E152 WeakPolarHBondContact O-CB 3.29Å; K148-E152 PolarHBondContact O-N 3.25Å; I149-E152 PolarHBondContact O-N 2.97Å; E150-E152 PolarHBondContact O-N 3.3Å; E152-L154 VanDerWaalsContact C-N 3.32Å; E152-L154 PolarHBondContact O-N 3.45Å; E152-V155 PolarHBondContact O-N 3.19Å; E152-L156 HydrophobicContact CG-CD1 3.77Å; E152-L156 HydrophobicContact CG-CG 4.07Å; E152-L156 WeakPolarHBondContact O-CB 3.41Å; E152-L156 WeakPolarHBondContact O-CG 3.48Å; E152-L156 PolarHBondContact O-N 3.27Å; E152-A169 HydrophobicContact CG-CB 3.79Å; E152-R171 IonicContact OE1-CZ 2.76Å; E152-R171 VanDerWaalsContact OE1-CZ 3.25Å; E152-R171 IonicContact OE1-NE 2.59Å; E152-R171 PolarHBondContact OE1-NE 2.95Å; E152-R171 IonicContact OE1-NH2 3.94Å; E152-R171 PolarHBondContact OE1-NH2 3.45Å; E152-R171 WeakPolarHBondContact OE2-CG 3.43Å; E152-R171 IonicContact OE2-CZ 2.72Å; E152-R171 IonicContact OE2-NE 3.4Å; E152-R171 PolarHBondContact OE2-NE 3.42Å
153K98.7Very high95.7Very high86 Ų8649 Ų4937%0.37426%0.26SS..Hα-helixtrans-57.7-43.5175.6-72.5173.3-175.7166.90112.2Y136 I149 E150 G157Y136-K153 HydrophobicContact CD2-CG 4.42Å; Y136-K153 HydrophobicContact CE2-CD 4.44Å; Y136-K153 HydrophobicContact CE2-CG 3.75Å; I149-K153 HydrophobicContact CG2-CD 4.13Å; I149-K153 VanDerWaalsContact CG2-CE 3.46Å; I149-K153 WeakPolarHBondContact O-CG 3.18Å; I149-K153 PolarHBondContact O-N 3.46Å; E150-K153 PolarHBondContact O-N 3.47Å; E150-K153 IonicContact OE1-NZ 3.72Å; E150-K153 PolarHBondContact OE1-NZ 2.85Å; K153-G157 WeakPolarHBondContact O-CA 3.48Å; K153-G157 PolarHBondContact O-N 3.43Å
154L98.8Very high96Very high47 Ų4746 Ų4625%0.24626%0.258CS..Hα-helixtrans-60.6-48.6178-74.7169.1000111.7I94 T97 Q98 I101 E150 Q151 E152 A158I94-L154 HydrophobicContact CG2-CD1 3.97Å; T97-L154 HydrophobicContact CG2-CB 4.38Å; Q98-L154 HydrophobicContact CG-CD1 3.86Å; Q98-L154 HydrophobicContact CG-CD2 4.05Å; I101-L154 HydrophobicContact CD1-CB 4.08Å; E150-L154 WeakPolarHBondContact O-CB 3.3Å; E150-L154 VanDerWaalsContact O-CG 3.24Å; E150-L154 WeakPolarHBondContact O-CG 3.38Å; E150-L154 PolarHBondContact O-N 2.88Å; Q151-L154 PolarHBondContact O-N 2.66Å; E152-L154 VanDerWaalsContact C-N 3.32Å; E152-L154 PolarHBondContact O-N 3.45Å; L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 3.19Å; L154-A158 VanDerWaalsContact O-N 3.17Å
155V98.8Very high96.3Very high0 Ų044.5 Ų44.50%025%0.253CS..Hα-helixtrans-69.7-45.7-178.1172.40000111.8T97 I101 L112 L114 Q151 E152 A158 T167T97-V155 HydrophobicContact CG2-CG2 3.58Å; I101-V155 HydrophobicContact CD1-CG2 4.18Å; L112-V155 HydrophobicContact CD2-CG1 3.91Å; L112-V155 HydrophobicContact CD2-CG2 4.17Å; L112-V155 HydrophobicContact CG-CG1 4.16Å; L114-V155 HydrophobicContact CB-CB 4.32Å; L114-V155 HydrophobicContact CB-CG1 3.95Å; L114-V155 HydrophobicContact CB-CG2 4.26Å; L114-V155 HydrophobicContact CD1-CG2 4.38Å; L114-V155 HydrophobicContact CD2-CB 3.96Å; L114-V155 HydrophobicContact CD2-CG1 4.45Å; L114-V155 HydrophobicContact CD2-CG2 3.9Å; L114-V155 HydrophobicContact CG-CG2 4.39Å; Q151-V155 PolarHBondContact O-N 2.89Å; Q151-V155 VanDerWaalsContact O-N 3.12Å; E152-V155 PolarHBondContact O-N 3.19Å; V155-A158 PolarHBondContact O-N 3.43Å; V155-T167 HydrophobicContact CG1-CG2 4.14Å; V155-T167 WeakPolarHBondContact O-CB 3.17Å; V155-T167 VanDerWaalsContact O-CG2 3.31Å; V155-T167 WeakPolarHBondContact O-CG2 3.32Å; V155-T167 PolarHBondContact O-OG1 3.16Å
156L98.4Very high96.5Very high21 Ų2145.1 Ų45.111%0.1126%0.256CS..Hα-helixtrans-67.7-39.2180-64.1-173.1000111.4E152 A158 C159 A169 P236E152-L156 HydrophobicContact CG-CD1 3.77Å; E152-L156 HydrophobicContact CG-CG 4.07Å; E152-L156 WeakPolarHBondContact O-CB 3.41Å; E152-L156 WeakPolarHBondContact O-CG 3.48Å; E152-L156 PolarHBondContact O-N 3.27Å; L156-A158 PolarHBondContact O-N 2.96Å; L156-C159 PolarHBondContact O-N 2.82Å; L156-C159 VanDerWaalsContact O-N 3.11Å; L156-A169 HydrophobicContact CD1-CB 4.37Å; L156-A169 HydrophobicContact CD2-CB 3.85Å; L156-A169 HydrophobicContact CG-CB 4.24Å; L156-P236 HydrophobicContact CD1-CB 4.3Å; L156-P236 HydrophobicContact CD1-CG 4.3Å
157G98.1Very high96.7Very high70 Ų7041 Ų4172%0.72224%0.237SC*.Hα-helixtrans-64.7-19174.300000114K153K153-G157 WeakPolarHBondContact O-CA 3.48Å; K153-G157 PolarHBondContact O-N 3.43Å
158A98.1Very high96.7Very high23 Ų2340.8 Ų40.819%0.1924%0.235CC..THydrogen-bonded Turntrans-84.4-11.3173.900000114.2I101 L154 V155 L156 N160 F165I101-A158 HydrophobicContact CD1-CB 4.21Å; I101-A158 HydrophobicContact CG1-CB 4.46Å; I101-A158 HydrophobicContact CG2-CB 3.81Å; L154-A158 WeakPolarHBondContact O-CB 3.47Å; L154-A158 PolarHBondContact O-N 3.19Å; L154-A158 VanDerWaalsContact O-N 3.17Å; V155-A158 PolarHBondContact O-N 3.43Å; L156-A158 PolarHBondContact O-N 2.96Å; A158-N160 PolarHBondContact O-N 3.27Å; A158-N160 VanDerWaalsContact O-N 3.07Å; A158-F165 HydrophobicContact CB-CD1 4.4Å; A158-F165 HydrophobicContact CB-CE1 3.98Å; A158-F165 WeakPolarHBondContact O-CD1 3.41Å
159C97.5Very high96.8Very high32 Ų3240.6 Ų40.622%0.21623%0.234CC..  trans-57.5118.5174.9164.50000108.4L156 T167 C233L156-C159 PolarHBondContact O-N 2.82Å; L156-C159 VanDerWaalsContact O-N 3.11Å; C159-T167 HydrophobicContact CB-CG2 4.34Å; C159-T167 WeakPolarHBondContact CB-OG1 3.49Å; C159-C233 WeakPolarHBondContact CB-SG 3.47Å; C159-C233 WeakPolarHBondContact SG-CB 3.27Å; C159-C233 CovalentContact SG-SG 2.12Å; C159-C233 PolarHBondContact SG-SG 3.32Å
160N94.8Very high96.8Very high55 Ų5540.4 Ų40.429%0.29423%0.233SC..BIsolated β-bridgetrans-133.191179.3-168.3-45.3000109A158 P162 K163 G164 F165A158-N160 PolarHBondContact O-N 3.27Å; A158-N160 VanDerWaalsContact O-N 3.07Å; N160-P162 VanDerWaalsContact OD1-CD 3.28Å; N160-P162 WeakPolarHBondContact OD1-CD 3.38Å; N160-K163 HydrophobicContact CB-CB 4.17Å; N160-K163 PolarHBondContact O-N 3.34Å; N160-K163 WeakPolarHBondContact OD1-CB 3.25Å; N160-K163 WeakPolarHBondContact OD1-CG 3.35Å; N160-K163 PolarHBondContact OD1-N 3.29Å; N160-G164 PolarHBondContact O-N 3.24Å; N160-G164 VanDerWaalsContact O-N 3.11Å; N160-F165 CarbonylContact C-O 3.42Å; N160-F165 PolarHBondContact N-O 3.41Å; N160-F165 PolarHBondContact O-N 2.92Å; N160-F165 VanDerWaalsContact O-N 3.09Å
161K91.6Very high96.8Very high97 Ų9737.2 Ų37.242%0.42222%0.218SC..THydrogen-bonded Turntrans-57.9-46.5-178.8-56.8175.8173-1540112.5K163 G164 L166 A228K161-K163 VanDerWaalsContact C-N 3.31Å; K161-K163 PolarHBondContact O-N 3.43Å; K161-G164 PolarHBondContact O-N 3.42Å; K161-L166 HydrophobicContact CB-CD2 4.48Å; K161-L166 HydrophobicContact CG-CD2 4.19Å; K161-A228 HydrophobicContact CB-CB 4.38Å; K161-A228 VanDerWaalsContact CD-O 3.22Å; K161-A228 WeakPolarHBondContact CD-O 3.19Å; K161-A228 WeakPolarHBondContact CE-O 3.18Å; K161-A228 PolarHBondContact NZ-O 2.97Å
162P90.5Very high96.8Very high125 Ų12537.5 Ų37.581%0.81222%0.22SC*.THydrogen-bonded Turntrans-61.3-34.9177.9-25.835.4000114.4N160 G164N160-P162 VanDerWaalsContact OD1-CD 3.28Å; N160-P162 WeakPolarHBondContact OD1-CD 3.38Å; P162-G164 VanDerWaalsContact C-N 3.29Å
163K88.1Confident96.6Very high169 Ų16938.7 Ų38.774%0.73523%0.226SC*.THydrogen-bonded Turntrans-84.8-0.1176.8-65.5-174.4-179.5-178.60113.4N160 K161 F165N160-K163 HydrophobicContact CB-CB 4.17Å; N160-K163 PolarHBondContact O-N 3.34Å; N160-K163 WeakPolarHBondContact OD1-CB 3.25Å; N160-K163 WeakPolarHBondContact OD1-CG 3.35Å; N160-K163 PolarHBondContact OD1-N 3.29Å; K161-K163 VanDerWaalsContact C-N 3.31Å; K161-K163 PolarHBondContact O-N 3.43Å; K163-F165 VanDerWaalsContact C-N 3.28Å; K163-F165 PolarHBondContact O-N 3.12Å
164G92.9Very high96.4Very high35 Ų3535.8 Ų35.836%0.36122%0.22SC..THydrogen-bonded Turntrans71.217.5178.500000114.9Q110 N160 K161 P162Q110-G164 WeakPolarHBondContact CA-O 3.43Å; N160-G164 PolarHBondContact O-N 3.24Å; N160-G164 VanDerWaalsContact O-N 3.11Å; K161-G164 PolarHBondContact O-N 3.42Å; P162-G164 VanDerWaalsContact C-N 3.29Å
165F97.5Very high96.4Very high3 Ų335.4 Ų35.41%0.01322%0.218CC..BIsolated β-bridgetrans-102.8104175.4-172.6-121.9000109.8I101 C104 L105 V109 L112 A158 N160 K163 T167I101-F165 HydrophobicContact CG2-CE1 4.24Å; C104-F165 HydrophobicContact CB-CE2 3.72Å; C104-F165 HydrophobicContact CB-CZ 3.85Å; L105-F165 HydrophobicContact CD2-CB 3.91Å; L105-F165 HydrophobicContact CD2-CD1 3.67Å; L105-F165 HydrophobicContact CD2-CD2 4.24Å; L105-F165 HydrophobicContact CD2-CE1 4.22Å; L105-F165 HydrophobicContact CD2-CG 3.67Å; L105-F165 HydrophobicContact CG-CD1 4.41Å; V109-F165 HydrophobicContact CG1-CE2 4.33Å; V109-F165 VanDerWaalsContact O-CD2 3.29Å; V109-F165 WeakPolarHBondContact O-CD2 3.35Å; L112-F165 HydrophobicContact CB-CE2 4.12Å; L112-F165 HydrophobicContact CB-CZ 3.88Å; L112-F165 HydrophobicContact CD2-CZ 3.93Å; A158-F165 HydrophobicContact CB-CD1 4.4Å; A158-F165 HydrophobicContact CB-CE1 3.98Å; A158-F165 WeakPolarHBondContact O-CD1 3.41Å; N160-F165 CarbonylContact C-O 3.42Å; N160-F165 PolarHBondContact N-O 3.41Å; N160-F165 PolarHBondContact O-N 2.92Å; N160-F165 VanDerWaalsContact O-N 3.09Å; K163-F165 VanDerWaalsContact C-N 3.28Å; K163-F165 PolarHBondContact O-N 3.12Å; F165-T167 HydrophobicContact CD1-CG2 4.17Å; F165-T167 HydrophobicContact CE1-CG2 3.81Å; F165-T167 HydrophobicContact CZ-CG2 4.21Å
166L98.4Very high96.4Very high13 Ų1335.4 Ų35.47%0.06822%0.218CC..EExtended strand (participates in β ladder)trans-105.4137.4-172.8-51.2179000109.8Q110 K111 L112 K161 L226 R227 A228 C233Q110-L166 PolarHBondContact O-N 3.43Å; K111-L166 CarbonylContact C-O 3.59Å; K111-L166 WeakPolarHBondContact CA-O 3.49Å; L112-L166 PolarHBondContact N-O 2.85Å; K161-L166 HydrophobicContact CB-CD2 4.48Å; K161-L166 HydrophobicContact CG-CD2 4.19Å; L166-L226 HydrophobicContact CB-CD1 3.92Å; L166-L226 HydrophobicContact CB-CD2 3.92Å; L166-L226 HydrophobicContact CB-CG 3.72Å; L166-L226 HydrophobicContact CD1-CG 4.32Å; L166-R227 VanDerWaalsContact CD1-C 3.47Å; L166-A228 HydrophobicContact CD1-CB 4.47Å; L166-A228 HydrophobicContact CD2-CB 4.08Å; L166-C233 VanDerWaalsContact CA-SG 3.56Å; L166-C233 VanDerWaalsContact CD2-SG 3.58Å
167T98.7Very high96.3Very high0 Ų034.4 Ų34.40%021%0.213CC..EExtended strand (participates in β ladder)trans-129.7155179.275.40000111.8L112 V155 C159 F165 C233 G234L112-T167 HydrophobicContact CB-CG2 4.1Å; L112-T167 VanDerWaalsContact O-CA 3.25Å; L112-T167 WeakPolarHBondContact O-CA 3.16Å; V155-T167 HydrophobicContact CG1-CG2 4.14Å; V155-T167 WeakPolarHBondContact O-CB 3.17Å; V155-T167 VanDerWaalsContact O-CG2 3.31Å; V155-T167 WeakPolarHBondContact O-CG2 3.32Å; V155-T167 PolarHBondContact O-OG1 3.16Å; C159-T167 HydrophobicContact CB-CG2 4.34Å; C159-T167 WeakPolarHBondContact CB-OG1 3.49Å; F165-T167 HydrophobicContact CD1-CG2 4.17Å; F165-T167 HydrophobicContact CE1-CG2 3.81Å; F165-T167 HydrophobicContact CZ-CG2 4.21Å; T167-C233 WeakPolarHBondContact O-CA 3.3Å; T167-G234 PolarHBondContact O-N 2.8Å
168V98.7Very high96.3Very high0 Ų032.2 Ų32.20%019%0.186CC..EExtended strand (participates in β ladder)trans-152.6145.8174.163.80000108.6L112 V113 L114 A222 L226 K235 Y237L112-V168 PolarHBondContact O-N 3.3Å; L112-V168 VanDerWaalsContact O-N 3.1Å; V113-V168 WeakPolarHBondContact CA-O 3.45Å; V113-V168 HydrophobicContact CB-CG1 4.21Å; V113-V168 HydrophobicContact CG1-CG1 4.09Å; V113-V168 HydrophobicContact CG2-CG1 3.78Å; L114-V168 PolarHBondContact N-O 3.42Å; V168-A222 HydrophobicContact CG1-CB 3.95Å; V168-A222 HydrophobicContact CG2-CB 4.44Å; V168-L226 HydrophobicContact CB-CD1 4.24Å; V168-L226 HydrophobicContact CB-CD2 4.46Å; V168-L226 HydrophobicContact CG1-CD1 4.5Å; V168-L226 HydrophobicContact CG1-CD2 3.97Å; V168-K235 WeakPolarHBondContact CG2-O 3.43Å; V168-Y237 HydrophobicContact CG2-CD2 3.84Å; V168-Y237 HydrophobicContact CG2-CE2 4.2Å
169A98.8Very high96.2Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-116133.8178.500000111L114 E152 L156 K235 P236 Y237L114-A169 HydrophobicContact CB-CB 4.44Å; L114-A169 HydrophobicContact CD2-CB 4.34Å; L114-A169 WeakPolarHBondContact O-CA 3.08Å; E152-A169 HydrophobicContact CG-CB 3.79Å; L156-A169 HydrophobicContact CD1-CB 4.37Å; L156-A169 HydrophobicContact CD2-CB 3.85Å; L156-A169 HydrophobicContact CG-CB 4.24Å; A169-K235 PolarHBondContact N-O 3.47Å; A169-K235 VanDerWaalsContact N-O 3.16Å; A169-P236 HydrophobicContact CB-CB 4.34Å; A169-P236 CarbonylContact O-C 3.6Å; A169-P236 VanDerWaalsContact O-CA 3.27Å; A169-P236 WeakPolarHBondContact O-CA 3.37Å; A169-Y237 PolarHBondContact O-N 3.21Å
170I98.8Very high96Very high0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-103.8122.7176.1-59.5-62.5000108.5V113 L114 S116 P172 H219 A222 Y237 I239V113-I170 HydrophobicContact CG1-CG1 4.08Å; L114-I170 PolarHBondContact O-N 2.91Å; S116-I170 CarbonylContact C-O 3.49Å; S116-I170 VanDerWaalsContact CA-O 3.26Å; S116-I170 WeakPolarHBondContact CA-O 3.44Å; S116-I170 WeakPolarHBondContact CB-O 3.45Å; S116-I170 PolarHBondContact N-O 3.22Å; I170-P172 VanDerWaalsContact C-CD 3.43Å; I170-P172 WeakPolarHBondContact O-CD 3.26Å; I170-H219 VanDerWaalsContact CG2-CE1 3.43Å; I170-H219 WeakPolarHBondContact CG2-CE1 3.49Å; I170-A222 HydrophobicContact CD1-CB 3.65Å; I170-A222 HydrophobicContact CG1-CB 4.33Å; I170-Y237 CarbonylContact C-O 3.55Å; I170-I239 HydrophobicContact CD1-CG1 4.07Å; I170-I239 HydrophobicContact CG2-CB 3.9Å; I170-I239 HydrophobicContact CG2-CG1 3.47Å; I170-I239 VanDerWaalsContact CG2-CG1 3.47Å
171R98.5Very high95.9Very high5 Ų536 Ų362%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-105.580.9179.8-67.3-179.7179.4169.8-3.7110V120 E132 E152 P236 Y237 H238 I239V120-R171 HydrophobicContact CG2-CG 4.4Å; V120-R171 VanDerWaalsContact CG2-NE 3.32Å; E132-R171 PolarHBondContact O-NH1 2.93Å; E152-R171 IonicContact OE1-CZ 2.76Å; E152-R171 VanDerWaalsContact OE1-CZ 3.25Å; E152-R171 IonicContact OE1-NE 2.59Å; E152-R171 PolarHBondContact OE1-NE 2.95Å; E152-R171 IonicContact OE1-NH2 3.94Å; E152-R171 PolarHBondContact OE1-NH2 3.45Å; E152-R171 WeakPolarHBondContact OE2-CG 3.43Å; E152-R171 IonicContact OE2-CZ 2.72Å; E152-R171 IonicContact OE2-NE 3.4Å; E152-R171 PolarHBondContact OE2-NE 3.42Å; R171-P236 HydrophobicContact CG-CB 4.35Å; R171-Y237 PolarHBondContact N-O 3.31Å; R171-H238 WeakPolarHBondContact CB-ND1 3.34Å; R171-I239 PolarHBondContact O-N 2.9Å
172P98Very high95.8Very high7 Ų734.4 Ų34.45%0.04519%0.192CC..EExtended strand (participates in β ladder)trans-74.3159.8172.733.7-35000110.9T115 A118 I170 I175 V215 I239T115-P172 HydrophobicContact CG2-CG 4.27Å; A118-P172 PolarHBondContact N-O 3.23Å; I170-P172 VanDerWaalsContact C-CD 3.43Å; I170-P172 WeakPolarHBondContact O-CD 3.26Å; P172-I175 HydrophobicContact CB-CD1 3.93Å; P172-I175 HydrophobicContact CB-CG1 3.86Å; P172-I175 HydrophobicContact CG-CD1 3.68Å; P172-I175 HydrophobicContact CG-CG1 4.08Å; P172-V215 HydrophobicContact CB-CG1 3.85Å; P172-V215 HydrophobicContact CB-CG2 3.89Å; P172-V215 HydrophobicContact CG-CG1 4.17Å; P172-I239 WeakPolarHBondContact CA-O 3.2Å
173H95.6Very high95.9Very high24 Ų2430 Ų3011%0.11116%0.161CC..  trans-127.5136.6171.9-164.748000111.6A118 I175 D208 T210 H308 Y310A118-H173 HydrophobicContact CB-CB 3.75Å; H173-I175 PolarHBondContact O-N 3Å; H173-D208 HydrophobicContact CB-CB 3.95Å; H173-D208 PolarHBondContact CD2-O 3.17Å; H173-T210 WeakPolarHBondContact O-CB 3.33Å; H173-T210 PolarHBondContact O-N 2.95Å; H173-T210 PolarHBondContact O-OG1 3.35Å; H173-H308 AromaticContact CD2-ND1 3.83Å; H173-H308 PolarHBondContact CD2-O 2.75Å; H173-H308 AromaticContact CE1-ND1 3.64Å; H173-H308 AromaticContact NE2-CE1 3.48Å; H173-H308 PolarHBondContact NE2-CE1 2.94Å; H173-H308 AromaticContact NE2-CG 3.81Å; H173-H308 AromaticContact NE2-ND1 2.81Å; H173-H308 PolarHBondContact NE2-ND1 3.34Å; H173-H308 PolarHBondContact NE2-O 3.03Å; H173-Y310 HydrophobicContact CB-CD2 4.41Å
174G94.4Very high96.2Very high25 Ų2522 Ų2226%0.25813%0.126SC..SBendtrans49.852.7175.100000114.3F176 T210G174-F176 PolarHBondContact O-N 3.33Å; G174-T210 PolarHBondContact O-N 2.86Å; G174-T210 VanDerWaalsContact O-N 3.16Å
175I97.8Very high96.3Very high39 Ų3922.3 Ų22.320%0.212%0.122CC..EExtended strand (participates in β ladder)trans-60.5126-177.1-46-179.3000109.8F20 L21 P172 H173 T210 V212 V215F20-I175 HydrophobicContact CD1-CG2 4.44Å; F20-I175 HydrophobicContact CE1-CB 4.21Å; F20-I175 HydrophobicContact CE1-CG2 3.62Å; F20-I175 HydrophobicContact CZ-CG2 4.22Å; L21-I175 HydrophobicContact CD2-CD1 4.23Å; P172-I175 HydrophobicContact CB-CD1 3.93Å; P172-I175 HydrophobicContact CB-CG1 3.86Å; P172-I175 HydrophobicContact CG-CD1 3.68Å; P172-I175 HydrophobicContact CG-CG1 4.08Å; H173-I175 PolarHBondContact O-N 3Å; I175-T210 VanDerWaalsContact CA-O 3.32Å; I175-T210 WeakPolarHBondContact CA-O 3.06Å; I175-V212 HydrophobicContact CG2-CB 3.93Å; I175-V212 HydrophobicContact CG2-CG2 4.07Å; I175-V215 HydrophobicContact CD1-CG1 4.22Å; I175-V215 HydrophobicContact CD1-CG2 4.36Å; I175-V215 HydrophobicContact CG1-CG2 4.16Å; I175-V215 HydrophobicContact CG2-CG2 4.14Å
176F98.3Very high96Very high0 Ų026.1 Ų26.10%015%0.146CC..EExtended strand (participates in β ladder)trans-137.616017780.2-78.8000111.2G174 L183 F209 T210 Y211 V212 F250 L327 I331 T334G174-F176 PolarHBondContact O-N 3.33Å; F176-L183 HydrophobicContact CB-CD1 4.46Å; F176-F209 HydrophobicContact CD1-CB 3.83Å; F176-F209 HydrophobicContact CE1-CB 3.9Å; F176-T210 PolarHBondContact N-O 3.41Å; F176-T210 VanDerWaalsContact N-O 3.12Å; F176-Y211 HydrophobicContact CD2-CD2 4.41Å; F176-Y211 AromaticContact CE2-CD2 3.95Å; F176-Y211 HydrophobicContact CE2-CD2 3.95Å; F176-Y211 HydrophobicContact CZ-CD2 4.04Å; F176-Y211 CarbonylContact O-C 3.58Å; F176-Y211 WeakPolarHBondContact O-CA 3.34Å; F176-V212 PolarHBondContact O-N 2.89Å; F176-F250 HydrophobicContact CB-CZ 4.29Å; F176-F250 HydrophobicContact CD1-CE2 4.14Å; F176-F250 HydrophobicContact CD1-CZ 4.09Å; F176-F250 HydrophobicContact CD2-CE2 4.21Å; F176-F250 AromaticContact CD2-CZ 3.99Å; F176-F250 HydrophobicContact CD2-CZ 3.99Å; F176-F250 HydrophobicContact CE1-CE2 4.04Å; F176-F250 HydrophobicContact CE1-CZ 4.45Å; F176-F250 HydrophobicContact CE2-CE2 4.1Å; F176-F250 HydrophobicContact CE2-CZ 4.36Å; F176-F250 HydrophobicContact CG-CE2 4.22Å; F176-F250 AromaticContact CG-CZ 3.85Å; F176-F250 HydrophobicContact CG-CZ 3.85Å; F176-F250 HydrophobicContact CZ-CE2 4.03Å; F176-L327 HydrophobicContact CE1-CD1 3.73Å; F176-L327 HydrophobicContact CZ-CD1 3.72Å; F176-I331 HydrophobicContact CE2-CG1 3.89Å; F176-I331 HydrophobicContact CZ-CG1 4.08Å; F176-T334 HydrophobicContact CD2-CG2 4.28Å; F176-T334 WeakPolarHBondContact CD2-OG1 3.37Å
177G98.1Very high95.8Very high0 Ų025.9 Ų25.90%015%0.145CC..SBendtrans156.2179.8-178.200000113R179 D180 T334G177-R179 PolarHBondContact O-N 2.93Å; G177-D180 VanDerWaalsContact O-CB 3.23Å; G177-D180 WeakPolarHBondContact O-CB 3.26Å; G177-D180 PolarHBondContact O-N 3.12Å; G177-D180 VanDerWaalsContact O-N 3.12Å; G177-T334 VanDerWaalsContact CA-OG1 3.29Å; G177-T334 WeakPolarHBondContact CA-OG1 3.23Å
178P97.5Very high95.6Very high24 Ų2426 Ų2616%0.15615%0.145CC..THydrogen-bonded Turntrans-54.7134.2172.1-26.334.9000112.4F20 H24 D180 S337F20-P178 VanDerWaalsContact CE2-O 3.32Å; F20-P178 WeakPolarHBondContact CE2-O 3.02Å; H24-P178 PolarHBondContact NE2-O 3.24Å; P178-D180 VanDerWaalsContact C-N 3.27Å; P178-D180 PolarHBondContact O-N 2.78Å; P178-S337 WeakPolarHBondContact CA-OG 3.27Å
179R95.4Very high95.3Very high102 Ų10229.2 Ų29.239%0.38516%0.162SC..THydrogen-bonded Turntrans71.211.6-176.9-48.7171.7-73.8-117.412.1115.2H24 E27 G177 P181 Y338H24-R179 PolarHBondContact CE1-NH2 2.97Å; H24-R179 PolarHBondContact ND1-NH2 3.03Å; H24-R179 VanDerWaalsContact ND1-NH2 3.11Å; H24-R179 PolarHBondContact NE2-NH2 3.47Å; E27-R179 IonicContact OE1-CZ 2.86Å; E27-R179 IonicContact OE1-NH1 3.76Å; E27-R179 IonicContact OE1-NH2 3.93Å; E27-R179 IonicContact OE2-CZ 3.85Å; E27-R179 IonicContact OE2-NH1 3.82Å; E27-R179 IonicContact OE2-NH2 3.53Å; E27-R179 PolarHBondContact OE2-NH2 3Å; G177-R179 PolarHBondContact O-N 2.93Å; R179-P181 VanDerWaalsContact O-CD 3.27Å; R179-P181 WeakPolarHBondContact O-CD 3.5Å; R179-Y338 PolarHBondContact N-OH 3.3Å
180D94.5Very high95Very high7 Ų730 Ų304%0.03717%0.169CC..  trans-53.1118.6163.2165.232.1000110.5F20 G177 P178 Q182 L183 V184 Y338F20-D180 HydrophobicContact CE1-CB 4.03Å; F20-D180 HydrophobicContact CE2-CB 4.14Å; F20-D180 HydrophobicContact CZ-CB 3.82Å; G177-D180 VanDerWaalsContact O-CB 3.23Å; G177-D180 WeakPolarHBondContact O-CB 3.26Å; G177-D180 PolarHBondContact O-N 3.12Å; G177-D180 VanDerWaalsContact O-N 3.12Å; P178-D180 VanDerWaalsContact C-N 3.27Å; P178-D180 PolarHBondContact O-N 2.78Å; D180-Q182 PolarHBondContact OD1-N 3.17Å; D180-L183 PolarHBondContact OD1-N 3.38Å; D180-L183 VanDerWaalsContact OD1-N 3.12Å; D180-L183 VanDerWaalsContact OD2-CA 3.3Å; D180-L183 WeakPolarHBondContact OD2-CA 3.27Å; D180-L183 WeakPolarHBondContact OD2-CB 3.4Å; D180-L183 PolarHBondContact OD2-N 3.47Å; D180-V184 PolarHBondContact OD2-N 3.46Å; D180-Y338 VanDerWaalsContact CA-OH 3.32Å; D180-Y338 WeakPolarHBondContact CA-OH 3.38Å; D180-Y338 WeakPolarHBondContact CB-OH 3.46Å; D180-Y338 PolarHBondContact N-OH 2.91Å; D180-Y338 PolarHBondContact O-OH 3.45Å
181P91.1Very high94.8Very high82 Ų8230.9 Ų30.953%0.53218%0.176SC..SBendtrans-86.1-7.7-177.832.5-31.5000113.1F20 R179F20-P181 HydrophobicContact CB-CG 4.3Å; R179-P181 VanDerWaalsContact O-CD 3.27Å; R179-P181 WeakPolarHBondContact O-CD 3.5Å
182Q89.5Confident94.5Very high62 Ų6237 Ų3729%0.2920%0.199SC..SBendtrans-120.6-64.2-166.6-72.2179.336.600113.1A80 D180 T186A80-Q182 VanDerWaalsContact CB-NE2 3.3Å; D180-Q182 PolarHBondContact OD1-N 3.17Å; Q182-T186 WeakPolarHBondContact O-CB 3.47Å; Q182-T186 PolarHBondContact O-N 2.84Å; Q182-T186 PolarHBondContact O-OG1 2.83Å
183L92.9Very high94.3Very high33 Ų3344.3 Ų44.317%0.17323%0.226CC..Hα-helixtrans-66.1-55.2-167.4174.7158.6000110.9F176 D180 T186 L187 F209 F250F176-L183 HydrophobicContact CB-CD1 4.46Å; D180-L183 PolarHBondContact OD1-N 3.38Å; D180-L183 VanDerWaalsContact OD1-N 3.12Å; D180-L183 VanDerWaalsContact OD2-CA 3.3Å; D180-L183 WeakPolarHBondContact OD2-CA 3.27Å; D180-L183 WeakPolarHBondContact OD2-CB 3.4Å; D180-L183 PolarHBondContact OD2-N 3.47Å; L183-T186 PolarHBondContact O-N 2.71Å; L183-L187 WeakPolarHBondContact O-CB 3.43Å; L183-L187 PolarHBondContact O-N 3.28Å; L183-F209 HydrophobicContact CD1-CD1 3.92Å; L183-F209 HydrophobicContact CD1-CE1 3.65Å; L183-F250 HydrophobicContact CD1-CE1 3.99Å; L183-F250 HydrophobicContact CD1-CZ 4.47Å; L183-F250 HydrophobicContact CD2-CE1 3.96Å; L183-F250 HydrophobicContact CD2-CZ 4.39Å
184V94.9Very high94Very high1 Ų144.3 Ų44.31%0.00623%0.233CC..Hα-helixtrans-64.9-48.9-176.9-177.80000111.8D180 T186 L187 V188 V254 L258 T334 Y338 L341D180-V184 PolarHBondContact OD2-N 3.46Å; V184-T186 PolarHBondContact O-N 2.99Å; V184-L187 PolarHBondContact O-N 2.93Å; V184-V188 HydrophobicContact CG1-CG2 4.4Å; V184-V188 WeakPolarHBondContact O-CG2 3.42Å; V184-V188 PolarHBondContact O-N 2.65Å; V184-V254 HydrophobicContact CG1-CG1 4.46Å; V184-V254 HydrophobicContact CG2-CG1 4.43Å; V184-L258 HydrophobicContact CG1-CD1 3.85Å; V184-T334 HydrophobicContact CG2-CG2 3.62Å; V184-Y338 HydrophobicContact CB-CD2 4.32Å; V184-Y338 HydrophobicContact CB-CE2 4.02Å; V184-Y338 HydrophobicContact CG1-CD1 4.38Å; V184-Y338 HydrophobicContact CG1-CD2 3.81Å; V184-Y338 HydrophobicContact CG1-CE2 4.03Å; V184-Y338 HydrophobicContact CG1-CG 4.03Å; V184-Y338 HydrophobicContact CG2-CD2 4.43Å; V184-Y338 HydrophobicContact CG2-CE2 3.97Å; V184-L341 HydrophobicContact CG1-CD1 4.09Å
185P94.1Very high93.7Very high42 Ų4248.7 Ų48.727%0.27325%0.245SC..Hα-helixtrans-61.5-41.1178.2-2536.9000113.3V188 D189 L341P185-V188 PolarHBondContact O-N 2.85Å; P185-D189 WeakPolarHBondContact O-CB 3.18Å; P185-D189 PolarHBondContact O-N 3.12Å; P185-L341 HydrophobicContact CB-CD1 4.5Å; P185-L341 HydrophobicContact CG-CD1 4.32Å
186T92.1Very high93.3Very high82 Ų8248.2 Ų48.250%0.50324%0.242SC..Hα-helixtrans-66.6-41.1179-58.60000111.3Q182 L183 V184 D189 A190Q182-T186 WeakPolarHBondContact O-CB 3.47Å; Q182-T186 PolarHBondContact O-N 2.84Å; Q182-T186 PolarHBondContact O-OG1 2.83Å; L183-T186 PolarHBondContact O-N 2.71Å; V184-T186 PolarHBondContact O-N 2.99Å; T186-D189 PolarHBondContact O-N 3.16Å; T186-A190 WeakPolarHBondContact O-CB 3.06Å; T186-A190 PolarHBondContact O-N 2.8Å
187L93.4Very high93Very high9 Ų953.4 Ų53.45%0.04726%0.264CS..Hα-helixtrans-62-45.2177.1179.559.8000111.4L183 V184 A190 A191 M196 M251 V254 L255L183-L187 WeakPolarHBondContact O-CB 3.43Å; L183-L187 PolarHBondContact O-N 3.28Å; V184-L187 PolarHBondContact O-N 2.93Å; L187-A190 PolarHBondContact O-N 3.23Å; L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 3.45Å; L187-M196 HydrophobicContact CD1-CE 3.46Å; L187-M196 VanDerWaalsContact CD1-CE 3.46Å; L187-M196 HydrophobicContact CD1-CG 3.98Å; L187-M196 HydrophobicContact CD1-SD 3.85Å; L187-M251 HydrophobicContact CD1-CB 4.35Å; L187-M251 HydrophobicContact CD1-CG 4.45Å; L187-M251 HydrophobicContact CD1-SD 3.66Å; L187-M251 HydrophobicContact CD2-SD 3.73Å; L187-M251 HydrophobicContact CG-SD 4.26Å; L187-V254 HydrophobicContact CD2-CB 3.84Å; L187-V254 HydrophobicContact CD2-CG1 3.71Å; L187-L255 HydrophobicContact CD1-CD1 4.02Å; L187-L255 HydrophobicContact CD1-CD2 4.1Å; L187-L255 HydrophobicContact CD1-CG 4.03Å; L187-L255 HydrophobicContact CD2-CD2 4.37Å; L187-L255 HydrophobicContact CD2-CG 4.12Å; L187-L255 HydrophobicContact CG-CD2 3.81Å; L187-L255 HydrophobicContact CG-CG 3.97Å
188V94.8Very high92.7Very high3 Ų357.4 Ų57.42%0.01828%0.282CS..Hα-helixtrans-65.6-44.4177.2170.30000111.8V184 P185 A190 A191 R192 L258 Y260 L341V184-V188 HydrophobicContact CG1-CG2 4.4Å; V184-V188 WeakPolarHBondContact O-CG2 3.42Å; V184-V188 PolarHBondContact O-N 2.65Å; P185-V188 PolarHBondContact O-N 2.85Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 2.12Å; V188-A191 PolarHBondContact O-N 2.87Å; V188-R192 HydrophobicContact CG1-CG 4.36Å; V188-R192 WeakPolarHBondContact O-CG 3.41Å; V188-R192 PolarHBondContact O-N 3.34Å; V188-L258 HydrophobicContact CG2-CD1 3.55Å; V188-Y260 HydrophobicContact CG1-CE2 4.01Å; V188-Y260 WeakPolarHBondContact CG1-OH 3.45Å; V188-Y260 HydrophobicContact CG2-CE2 4.22Å; V188-L341 HydrophobicContact CG1-CB 4.25Å; V188-L341 HydrophobicContact CG2-CB 4.18Å; V188-L341 HydrophobicContact CG2-CD1 4.34Å
189D93.6Very high92.5Very high66 Ų6657.1 Ų57.135%0.35328%0.279SS..Hα-helixtrans-60.1-44.3176178.975.7000111.3P185 T186 A191 R192 R193P185-D189 WeakPolarHBondContact O-CB 3.18Å; P185-D189 PolarHBondContact O-N 3.12Å; T186-D189 PolarHBondContact O-N 3.16Å; D189-A191 VanDerWaalsContact C-N 3.32Å; D189-A191 PolarHBondContact O-N 2.78Å; D189-R192 PolarHBondContact O-N 3.1Å; D189-R193 VanDerWaalsContact CG-NE 3.29Å; D189-R193 WeakPolarHBondContact O-CG 3.22Å; D189-R193 PolarHBondContact O-N 2.88Å; D189-R193 IonicContact OD1-CZ 2.71Å; D189-R193 IonicContact OD1-NE 2.79Å; D189-R193 PolarHBondContact OD1-NE 3.36Å; D189-R193 VanDerWaalsContact OD1-NE 3.1Å; D189-R193 IonicContact OD1-NH2 2.74Å; D189-R193 PolarHBondContact OD1-NH2 3.24Å; D189-R193 IonicContact OD2-CZ 3.87Å; D189-R193 IonicContact OD2-NE 2.75Å; D189-R193 PolarHBondContact OD2-NE 3.11Å; D189-R193 IonicContact OD2-NH2 3.5Å; D189-R193 PolarHBondContact OD2-NH2 3.21Å
190A91.7Very high92.3Very high18 Ų1853.2 Ų53.215%0.14927%0.265CS..Hα-helixtrans-62-38.7175.400000112.1T186 L187 V188 R193 G194 K195 M196T186-A190 WeakPolarHBondContact O-CB 3.06Å; T186-A190 PolarHBondContact O-N 2.8Å; L187-A190 PolarHBondContact O-N 3.23Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 2.12Å; A190-R193 PolarHBondContact O-N 3.28Å; A190-G194 PolarHBondContact O-N 2.87Å; A190-K195 HydrophobicContact CB-CB 4.4Å; A190-K195 WeakPolarHBondContact O-CB 3.16Å; A190-K195 PolarHBondContact O-N 3.04Å; A190-M196 HydrophobicContact CB-CG 3.58Å; A190-M196 HydrophobicContact CB-SD 3.81Å
191A93.6Very high92.2Very high18 Ų1853.6 Ų53.615%0.14927%0.271CS..Hα-helixtrans-67.5-43.6176.200000112.5L187 V188 D189 R193 G194 M196 L255 Y260L187-A191 WeakPolarHBondContact O-CB 3.35Å; L187-A191 PolarHBondContact O-N 3.45Å; V188-A191 PolarHBondContact O-N 2.87Å; D189-A191 VanDerWaalsContact C-N 3.32Å; D189-A191 PolarHBondContact O-N 2.78Å; A191-R193 PolarHBondContact O-N 3.38Å; A191-G194 WeakPolarHBondContact O-CA 3.34Å; A191-G194 PolarHBondContact O-N 3.45Å; A191-M196 HydrophobicContact CB-CB 4.06Å; A191-M196 HydrophobicContact CB-CG 4.08Å; A191-L255 HydrophobicContact CB-CD2 3.53Å; A191-Y260 HydrophobicContact CB-CD1 3.92Å; A191-Y260 HydrophobicContact CB-CG 4.2Å
192R94.1Very high92.2Very high133 Ų13354.8 Ų54.850%0.50227%0.273SS..Hα-helixtrans-59.9-35.4175.3-73.5174.3177.4-178.5-6.2112V188 D189 G194 Y260V188-R192 HydrophobicContact CG1-CG 4.36Å; V188-R192 WeakPolarHBondContact O-CG 3.41Å; V188-R192 PolarHBondContact O-N 3.34Å; D189-R192 PolarHBondContact O-N 3.1Å; R192-G194 PolarHBondContact O-N 2.68Å; R192-Y260 HydrophobicContact CG-CE1 3.8Å; R192-Y260 PolarHBondContact NE-OH 2.97Å; R192-Y260 PolarHBondContact NH2-OH 3.17Å
193R91.9Very high92.3Very high161 Ų16152.1 Ų52.161%0.60826%0.263SS*.THydrogen-bonded Turntrans-80.94174.1-63.4178.6-157.7-99.7-3.6114D189 A190 A191 K195D189-R193 VanDerWaalsContact CG-NE 3.29Å; D189-R193 WeakPolarHBondContact O-CG 3.22Å; D189-R193 PolarHBondContact O-N 2.88Å; D189-R193 IonicContact OD1-CZ 2.71Å; D189-R193 IonicContact OD1-NE 2.79Å; D189-R193 PolarHBondContact OD1-NE 3.36Å; D189-R193 VanDerWaalsContact OD1-NE 3.1Å; D189-R193 IonicContact OD1-NH2 2.74Å; D189-R193 PolarHBondContact OD1-NH2 3.24Å; D189-R193 IonicContact OD2-CZ 3.87Å; D189-R193 IonicContact OD2-NE 2.75Å; D189-R193 PolarHBondContact OD2-NE 3.11Å; D189-R193 IonicContact OD2-NH2 3.5Å; D189-R193 PolarHBondContact OD2-NH2 3.21Å; A190-R193 PolarHBondContact O-N 3.28Å; A191-R193 PolarHBondContact O-N 3.38Å; R193-K195 VanDerWaalsContact C-N 3.25Å; R193-K195 HydrophobicContact CB-CD 4.4Å; R193-K195 HydrophobicContact CB-CG 4.24Å; R193-K195 PolarHBondContact O-N 2.78Å
194G89.6Confident92.3Very high24 Ų2453.1 Ų53.125%0.24727%0.27CS..THydrogen-bonded Turntrans70.715.1179.300000115A190 A191 R192 K197A190-G194 PolarHBondContact O-N 2.87Å; A191-G194 WeakPolarHBondContact O-CA 3.34Å; A191-G194 PolarHBondContact O-N 3.45Å; R192-G194 PolarHBondContact O-N 2.68Å; G194-K197 WeakPolarHBondContact O-CD 3.36Å; G194-K197 WeakPolarHBondContact O-CG 3.35Å
195K87.6Confident92.4Very high117 Ų11753.1 Ų53.151%0.50927%0.27SS..  trans-83.3-24.7-178.7-63.7-179.1177-177.80113.1A190 R193 K197A190-K195 HydrophobicContact CB-CB 4.4Å; A190-K195 WeakPolarHBondContact O-CB 3.16Å; A190-K195 PolarHBondContact O-N 3.04Å; R193-K195 VanDerWaalsContact C-N 3.25Å; R193-K195 HydrophobicContact CB-CD 4.4Å; R193-K195 HydrophobicContact CB-CG 4.24Å; R193-K195 PolarHBondContact O-N 2.78Å; K195-K197 PolarHBondContact O-N 2.98Å; K195-K197 VanDerWaalsContact O-N 3.12Å
196M91.1Very high92.5Very high28 Ų2853.5 Ų53.514%0.13827%0.27CS..THydrogen-bonded Turntrans-83.231.6178.7-62.8-55.5-52.900114.3L187 A190 A191 W248 M251 L255 P263L187-M196 HydrophobicContact CD1-CE 3.46Å; L187-M196 VanDerWaalsContact CD1-CE 3.46Å; L187-M196 HydrophobicContact CD1-CG 3.98Å; L187-M196 HydrophobicContact CD1-SD 3.85Å; A190-M196 HydrophobicContact CB-CG 3.58Å; A190-M196 HydrophobicContact CB-SD 3.81Å; A191-M196 HydrophobicContact CB-CB 4.06Å; A191-M196 HydrophobicContact CB-CG 4.08Å; M196-W248 HydrophobicContact CE-CZ3 3.85Å; M196-M251 HydrophobicContact CE-CB 4.4Å; M196-L255 HydrophobicContact CB-CD1 3.91Å; M196-L255 HydrophobicContact CE-CD1 4.32Å; M196-L255 HydrophobicContact CG-CD1 4.37Å; M196-P263 WeakPolarHBondContact O-CA 3.5Å; M196-P263 WeakPolarHBondContact O-CB 3.24Å
197K90.6Very high92.8Very high109 Ų10949.6 Ų49.647%0.47425%0.246SC..THydrogen-bonded Turntrans-92.7-17.8176-64.3177.9-176.7176.80112.7G194 K195 R264 F265G194-K197 WeakPolarHBondContact O-CD 3.36Å; G194-K197 WeakPolarHBondContact O-CG 3.35Å; K195-K197 PolarHBondContact O-N 2.98Å; K195-K197 VanDerWaalsContact O-N 3.12Å; K197-R264 PolarHBondContact O-N 3.25Å; K197-F265 HydrophobicContact CB-CD2 4.17Å; K197-F265 WeakPolarHBondContact O-CD2 3.28Å; K197-F265 PolarHBondContact O-N 3.1Å; K197-F265 VanDerWaalsContact O-N 3.09Å
198F92.6Very high93Very high85 Ų8549.3 Ų49.337%0.37324%0.244SC..EExtended strand (participates in β ladder)trans-107.6141-169.3-53.8-76.6000111.7W248 F265 L267F198-W248 WeakPolarHBondContact O-CH2 3.25Å; F198-W248 WeakPolarHBondContact O-CZ3 3.35Å; F198-F265 CarbonylContact C-O 3.6Å; F198-F265 WeakPolarHBondContact CA-O 3.48Å; F198-F265 HydrophobicContact CD1-CB 3.83Å; F198-F265 HydrophobicContact CE1-CB 4.25Å; F198-L267 HydrophobicContact CB-CD1 3.77Å; F198-L267 HydrophobicContact CB-CG 4.17Å; F198-L267 HydrophobicContact CD1-CD1 3.59Å; F198-L267 HydrophobicContact CD1-CD2 4.18Å; F198-L267 HydrophobicContact CD1-CG 3.79Å; F198-L267 HydrophobicContact CD2-CD1 4.45Å; F198-L267 HydrophobicContact CE1-CD1 4.29Å; F198-L267 HydrophobicContact CG-CD1 3.68Å; F198-L267 HydrophobicContact CG-CG 4.23Å
199I93.4Very high93.1Very high18 Ų1849.8 Ų49.89%0.09225%0.246CC..EExtended strand (participates in β ladder)trans-102.6128.3168.4-63.7179000106.5W248 P263 F265 H266 L267I199-W248 HydrophobicContact CB-CD2 4.18Å; I199-W248 HydrophobicContact CB-CG 4.31Å; I199-W248 HydrophobicContact CD1-CB 4.47Å; I199-W248 HydrophobicContact CG1-CB 4.33Å; I199-W248 HydrophobicContact CG1-CD2 4.09Å; I199-W248 HydrophobicContact CG1-CE3 4.19Å; I199-W248 HydrophobicContact CG1-CG 4.16Å; I199-W248 HydrophobicContact CG2-CB 4.37Å; I199-W248 HydrophobicContact CG2-CD2 4.01Å; I199-W248 HydrophobicContact CG2-CG 3.73Å; I199-P263 HydrophobicContact CG1-CB 3.86Å; I199-P263 HydrophobicContact CG1-CG 4.26Å; I199-F265 PolarHBondContact N-O 2.98Å; I199-H266 CarbonylContact O-C 3.49Å; I199-H266 WeakPolarHBondContact O-CA 3.2Å; I199-L267 PolarHBondContact O-N 3Å
200I91.8Very high93.4Very high19 Ų1946.7 Ų46.710%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-89.6126.7177.9-61.7171.2000108.2W248 Y269 V272 V301 A304I200-W248 HydrophobicContact CB-CZ2 3.74Å; I200-W248 HydrophobicContact CD1-CH2 4.4Å; I200-W248 HydrophobicContact CD1-CZ2 4.07Å; I200-W248 HydrophobicContact CG1-CH2 4.2Å; I200-W248 HydrophobicContact CG1-CZ2 3.71Å; I200-W248 PolarHBondContact O-NE1 2.95Å; I200-Y269 HydrophobicContact CG2-CD2 3.83Å; I200-V272 HydrophobicContact CD1-CG1 3.93Å; I200-V272 HydrophobicContact CG1-CG1 4.02Å; I200-V272 HydrophobicContact CG2-CB 4.34Å; I200-V272 HydrophobicContact CG2-CG1 4.07Å; I200-V301 HydrophobicContact CG2-CG1 4.06Å; I200-A304 HydrophobicContact CD1-CB 3.89Å
201G91.6Very high93.7Very high16 Ų1645.9 Ų45.917%0.16522%0.222CC..THydrogen-bonded Turntrans78.5-152.4-175.400000112.3G203 H266 L267G201-G203 VanDerWaalsContact C-N 3.29Å; G201-H266 PolarHBondContact O-CD2 3.37Å; G201-L267 PolarHBondContact N-O 2.98Å
202D90.6Very high94Very high106 Ų10645 Ų4557%0.56722%0.215SC*.THydrogen-bonded Turntrans-84.6-3.8176.159.19000113.2T204D202-T204 HydrophobicContact CB-CG2 4.29Å; D202-T204 PolarHBondContact O-N 3.14Å; D202-T204 PolarHBondContact OD1-N 3.31Å; D202-T204 PolarHBondContact OD1-OG1 2.88Å; D202-T204 PolarHBondContact OD2-OG1 3.5Å
203G91.3Very high94.2Very high7 Ų741.5 Ų41.57%0.07221%0.205CC..SBendtrans71.98.7179.500000114.6G201 N205 R246G201-G203 VanDerWaalsContact C-N 3.29Å; G203-N205 VanDerWaalsContact C-N 3.32Å; G203-R246 WeakPolarHBondContact O-CD 3.45Å
204T94.8Very high94.5Very high54 Ų5433.9 Ų33.933%0.33118%0.176SC..  trans-89.21.4-176.573.20000113.6D202 L206 Y307D202-T204 HydrophobicContact CB-CG2 4.29Å; D202-T204 PolarHBondContact O-N 3.14Å; D202-T204 PolarHBondContact OD1-N 3.31Å; D202-T204 PolarHBondContact OD1-OG1 2.88Å; D202-T204 PolarHBondContact OD2-OG1 3.5Å; T204-L206 PolarHBondContact O-N 2.92Å; T204-Y307 WeakPolarHBondContact O-CE1 3.28Å; T204-Y307 PolarHBondContact O-OH 3.47Å; T204-Y307 PolarHBondContact OG1-OH 3.45Å
205N95.6Very high94.9Very high1 Ų132.7 Ų32.71%0.00516%0.164CC..  trans-67.8115.3-176.562.6-55.2000112.1G203 R246 F247 A304 T306 Y307G203-N205 VanDerWaalsContact C-N 3.32Å; N205-R246 VanDerWaalsContact O-CA 3.32Å; N205-R246 WeakPolarHBondContact O-CA 3.48Å; N205-F247 WeakPolarHBondContact ND2-CB 3.46Å; N205-F247 PolarHBondContact O-N 3.43Å; N205-A304 PolarHBondContact ND2-O 2.98Å; N205-T306 WeakPolarHBondContact CB-O 3.29Å; N205-T306 PolarHBondContact ND2-O 3.38Å; N205-Y307 HydrophobicContact CB-CD2 4.18Å; N205-Y307 HydrophobicContact CB-CE2 4.24Å; N205-Y307 HydrophobicContact CB-CG 4.38Å
206L97.6Very high95.5Very high50 Ų5027.3 Ų27.326%0.26214%0.141SC..EExtended strand (participates in β ladder)trans-81.8136.8176-66.9176.5000111.2T204 I245 R246 Y307 H308 Y309T204-L206 PolarHBondContact O-N 2.92Å; L206-I245 WeakPolarHBondContact CA-O 3.1Å; L206-R246 HydrophobicContact CD2-CG 3.96Å; L206-Y307 HydrophobicContact CB-CD1 4.06Å; L206-Y307 HydrophobicContact CB-CE1 4.46Å; L206-Y307 HydrophobicContact CG-CE1 4.49Å; L206-Y307 VanDerWaalsContact N-CD1 3.31Å; L206-Y307 WeakPolarHBondContact O-CA 3.47Å; L206-H308 PolarHBondContact O-N 3.48Å; L206-Y309 HydrophobicContact CB-CD1 3.85Å; L206-Y309 HydrophobicContact CB-CE1 4.12Å; L206-Y309 HydrophobicContact CD1-CE1 4.48Å
207V97.4Very high95.8Very high0 Ų027.5 Ų27.50%014%0.141CC..EExtended strand (participates in β ladder)trans-142.8154.3-176.7-53.20000109.8F209 I245 F247 H308V207-F209 HydrophobicContact CG2-CD2 3.79Å; V207-F209 HydrophobicContact CG2-CE2 3.27Å; V207-F209 HydrophobicContact CG2-CZ 4.02Å; V207-I245 PolarHBondContact N-O 3.41Å; V207-I245 PolarHBondContact O-N 2.87Å; V207-I245 VanDerWaalsContact O-N 3.09Å; V207-F247 HydrophobicContact CG1-CB 3.96Å; V207-F247 HydrophobicContact CG1-CD2 4.33Å; V207-F247 HydrophobicContact CG2-CB 3.92Å; V207-F247 HydrophobicContact CG2-CD2 4.15Å; V207-H308 VanDerWaalsContact CB-CE1 3.4Å; V207-H308 WeakPolarHBondContact CB-CE1 3.24Å; V207-H308 WeakPolarHBondContact CB-ND1 3.44Å; V207-H308 WeakPolarHBondContact CG1-CE1 3.41Å; V207-H308 WeakPolarHBondContact CG1-ND1 3.4Å; V207-H308 WeakPolarHBondContact CG1-NE2 3.27Å
208D97.6Very high96.2Very high3 Ų322.3 Ų22.32%0.01612%0.119CC..  trans-89133.6168.8-70.7-60.4000112.1H173 T240 H308 Y309 Y310H173-D208 HydrophobicContact CB-CB 3.95Å; H173-D208 PolarHBondContact CD2-O 3.17Å; D208-T240 HydrophobicContact CB-CG2 4.32Å; D208-T240 WeakPolarHBondContact OD2-CG2 3.13Å; D208-H308 PolarHBondContact N-O 3.12Å; D208-Y309 WeakPolarHBondContact OD2-CA 3.4Å; D208-Y309 WeakPolarHBondContact OD2-CB 3.22Å; D208-Y310 PolarHBondContact OD2-N 3.41Å
209F98Very high96.5Very high13 Ų1318.3 Ų18.36%0.05710%0.101CC..  trans-120121.9160.1-71.7-78.2000107.8F176 L183 V207 N241 I245 F247 F250 M251 L327F176-F209 HydrophobicContact CD1-CB 3.83Å; F176-F209 HydrophobicContact CE1-CB 3.9Å; L183-F209 HydrophobicContact CD1-CD1 3.92Å; L183-F209 HydrophobicContact CD1-CE1 3.65Å; V207-F209 HydrophobicContact CG2-CD2 3.79Å; V207-F209 HydrophobicContact CG2-CE2 3.27Å; V207-F209 HydrophobicContact CG2-CZ 4.02Å; F209-N241 WeakPolarHBondContact O-CB 3.5Å; F209-I245 HydrophobicContact CD2-CG2 3.82Å; F209-I245 HydrophobicContact CE2-CG2 4.45Å; F209-F247 HydrophobicContact CE2-CD2 4.38Å; F209-F247 AromaticContact CZ-CD2 3.97Å; F209-F247 HydrophobicContact CZ-CD2 3.97Å; F209-F247 HydrophobicContact CZ-CE2 4.14Å; F209-F250 HydrophobicContact CB-CD2 3.93Å; F209-F250 HydrophobicContact CB-CE2 3.64Å; F209-F250 HydrophobicContact CB-CG 4.5Å; F209-F250 HydrophobicContact CB-CZ 3.98Å; F209-F250 AromaticContact CD1-CD1 3.95Å; F209-F250 HydrophobicContact CD1-CD1 3.95Å; F209-F250 AromaticContact CD1-CE1 3.59Å; F209-F250 HydrophobicContact CD1-CE1 3.59Å; F209-F250 HydrophobicContact CD1-CE2 4.23Å; F209-F250 HydrophobicContact CD1-CG 4.41Å; F209-F250 AromaticContact CD1-CZ 3.75Å; F209-F250 HydrophobicContact CD1-CZ 3.75Å; F209-F250 HydrophobicContact CD2-CB 3.73Å; F209-F250 AromaticContact CD2-CD1 3.56Å; F209-F250 HydrophobicContact CD2-CD1 3.56Å; F209-F250 AromaticContact CD2-CD2 3.56Å; F209-F250 HydrophobicContact CD2-CD2 3.56Å; F209-F250 HydrophobicContact CD2-CE1 4.02Å; F209-F250 HydrophobicContact CD2-CE2 4.02Å; F209-F250 AromaticContact CD2-CG 3.31Å; F209-F250 HydrophobicContact CD2-CG 3.31Å; F209-F250 HydrophobicContact CD2-CZ 4.23Å; F209-F250 AromaticContact CE1-CD1 3.82Å; F209-F250 HydrophobicContact CE1-CD1 3.82Å; F209-F250 AromaticContact CE1-CE1 3.68Å; F209-F250 HydrophobicContact CE1-CE1 3.68Å; F209-F250 HydrophobicContact CE1-CZ 4.32Å; F209-F250 HydrophobicContact CE2-CB 3.61Å; F209-F250 AromaticContact CE2-CD1 3.37Å; F209-F250 HydrophobicContact CE2-CD1 3.37Å; F209-F250 HydrophobicContact CE2-CD2 4.18Å; F209-F250 HydrophobicContact CE2-CE1 4.05Å; F209-F250 AromaticContact CE2-CG 3.45Å; F209-F250 HydrophobicContact CE2-CG 3.45Å; F209-F250 VanDerWaalsContact CE2-CG 3.45Å; F209-F250 AromaticContact CG-CD1 3.84Å; F209-F250 HydrophobicContact CG-CD1 3.84Å; F209-F250 AromaticContact CG-CD2 3.76Å; F209-F250 HydrophobicContact CG-CD2 3.76Å; F209-F250 AromaticContact CG-CE1 3.78Å; F209-F250 HydrophobicContact CG-CE1 3.78Å; F209-F250 AromaticContact CG-CE2 3.71Å; F209-F250 HydrophobicContact CG-CE2 3.71Å; F209-F250 AromaticContact CG-CG 3.83Å; F209-F250 HydrophobicContact CG-CG 3.83Å; F209-F250 AromaticContact CG-CZ 3.72Å; F209-F250 HydrophobicContact CG-CZ 3.72Å; F209-F250 AromaticContact CZ-CD1 3.53Å; F209-F250 HydrophobicContact CZ-CD1 3.53Å; F209-F250 AromaticContact CZ-CE1 3.92Å; F209-F250 HydrophobicContact CZ-CE1 3.92Å; F209-F250 HydrophobicContact CZ-CG 4.11Å; F209-M251 HydrophobicContact CE1-CE 3.96Å; F209-M251 HydrophobicContact CE2-CE 4.47Å; F209-M251 HydrophobicContact CZ-CE 3.53Å; F209-L327 HydrophobicContact CB-CD1 4.28Å
210T98.6Very high96.7Very high0 Ų017.5 Ų17.50%010%0.097CC..EExtended strand (participates in β ladder)trans-107120.8-173.5-44.90000110.4H173 G174 I175 F176 V212 N214 V215 I239 T240H173-T210 WeakPolarHBondContact O-CB 3.33Å; H173-T210 PolarHBondContact O-N 2.95Å; H173-T210 PolarHBondContact O-OG1 3.35Å; G174-T210 PolarHBondContact O-N 2.86Å; G174-T210 VanDerWaalsContact O-N 3.16Å; I175-T210 VanDerWaalsContact CA-O 3.32Å; I175-T210 WeakPolarHBondContact CA-O 3.06Å; F176-T210 PolarHBondContact N-O 3.41Å; F176-T210 VanDerWaalsContact N-O 3.12Å; T210-V212 PolarHBondContact O-N 3.18Å; T210-N214 HydrophobicContact CG2-CB 4.23Å; T210-V215 HydrophobicContact CG2-CG2 3.46Å; T210-V215 VanDerWaalsContact CG2-CG2 3.46Å; T210-I239 PolarHBondContact OG1-O 3.46Å; T210-T240 WeakPolarHBondContact OG1-CA 3.39Å
211Y98.7Very high97.1Very high1 Ų117.4 Ų17.40%0.00410%0.096CC..EExtended strand (participates in β ladder)trans-64.5136.8177.4-175.2-111.6000110.8F176 E213 N214 V215 N241 V325 G330F176-Y211 HydrophobicContact CD2-CD2 4.41Å; F176-Y211 AromaticContact CE2-CD2 3.95Å; F176-Y211 HydrophobicContact CE2-CD2 3.95Å; F176-Y211 HydrophobicContact CZ-CD2 4.04Å; F176-Y211 CarbonylContact O-C 3.58Å; F176-Y211 WeakPolarHBondContact O-CA 3.34Å; Y211-E213 VanDerWaalsContact C-N 3.27Å; Y211-E213 HydrophobicContact CD1-CB 3.8Å; Y211-E213 HydrophobicContact CD1-CG 4.24Å; Y211-E213 HydrophobicContact CE1-CB 3.61Å; Y211-E213 VanDerWaalsContact CE1-CD 3.49Å; Y211-E213 HydrophobicContact CE1-CG 3.56Å; Y211-E213 WeakPolarHBondContact CE1-OE1 3.31Å; Y211-E213 PolarHBondContact O-N 3.23Å; Y211-E213 VanDerWaalsContact O-N 3.16Å; Y211-E213 PolarHBondContact OH-OE1 3.11Å; Y211-N214 WeakPolarHBondContact O-CA 3.45Å; Y211-N214 VanDerWaalsContact O-CB 3.3Å; Y211-N214 WeakPolarHBondContact O-CB 3.44Å; Y211-N214 PolarHBondContact O-N 3.4Å; Y211-V215 PolarHBondContact O-N 2.73Å; Y211-N241 PolarHBondContact N-OD1 3.45Å; Y211-N241 VanDerWaalsContact N-OD1 3.14Å; Y211-V325 HydrophobicContact CD1-CB 3.65Å; Y211-V325 HydrophobicContact CD1-CG1 3.65Å; Y211-V325 HydrophobicContact CD1-CG2 3.98Å; Y211-V325 HydrophobicContact CE1-CB 4.05Å; Y211-V325 HydrophobicContact CE1-CG1 3.85Å; Y211-V325 HydrophobicContact CE1-CG2 3.93Å; Y211-V325 HydrophobicContact CG-CG1 4.25Å; Y211-G330 VanDerWaalsContact CD2-CA 3.45Å
212V98.8Very high97.4Very high0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-56.2-36.9-170.164.80000113.8F20 L21 H24 I175 F176 T210 N214 V215 V216F20-V212 HydrophobicContact CE1-CB 4.41Å; F20-V212 HydrophobicContact CE1-CG2 4.28Å; F20-V212 HydrophobicContact CE2-CB 4.16Å; F20-V212 HydrophobicContact CE2-CG1 4.23Å; F20-V212 HydrophobicContact CE2-CG2 3.97Å; F20-V212 HydrophobicContact CZ-CB 3.7Å; F20-V212 HydrophobicContact CZ-CG1 4.12Å; F20-V212 HydrophobicContact CZ-CG2 3.79Å; L21-V212 HydrophobicContact CD1-CG2 3.96Å; H24-V212 HydrophobicContact CB-CG2 3.95Å; I175-V212 HydrophobicContact CG2-CB 3.93Å; I175-V212 HydrophobicContact CG2-CG2 4.07Å; F176-V212 PolarHBondContact O-N 2.89Å; T210-V212 PolarHBondContact O-N 3.18Å; V212-N214 VanDerWaalsContact C-N 3.3Å; V212-N214 PolarHBondContact O-N 3.15Å; V212-V215 PolarHBondContact O-N 3.48Å; V212-V216 WeakPolarHBondContact O-CG2 3.03Å; V212-V216 PolarHBondContact O-N 3.29Å
213E98.6Very high97.7Very high60 Ų6011.7 Ų11.728%0.286%0.063SC..Hα-helixtrans-67.7-30.7177.4-67.5176.4-13600112.5Y211 V216 H217 R333Y211-E213 VanDerWaalsContact C-N 3.27Å; Y211-E213 HydrophobicContact CD1-CB 3.8Å; Y211-E213 HydrophobicContact CD1-CG 4.24Å; Y211-E213 HydrophobicContact CE1-CB 3.61Å; Y211-E213 VanDerWaalsContact CE1-CD 3.49Å; Y211-E213 HydrophobicContact CE1-CG 3.56Å; Y211-E213 WeakPolarHBondContact CE1-OE1 3.31Å; Y211-E213 PolarHBondContact O-N 3.23Å; Y211-E213 VanDerWaalsContact O-N 3.16Å; Y211-E213 PolarHBondContact OH-OE1 3.11Å; E213-V216 PolarHBondContact O-N 2.93Å; E213-H217 VanDerWaalsContact O-CB 3.32Å; E213-H217 WeakPolarHBondContact O-CB 3.31Å; E213-H217 PolarHBondContact O-N 3.47Å; E213-R333 IonicContact OE1-NH1 2.7Å; E213-R333 IonicContact OE2-NH1 3.17Å
214N98.8Very high97.9Very high0 Ų014.4 Ų14.40%07%0.073CC..Hα-helixtrans-69.3-39.2173.7-67.4-24.4000110.9T210 Y211 V212 H217 G218 N241 V324 V325T210-N214 HydrophobicContact CG2-CB 4.23Å; Y211-N214 WeakPolarHBondContact O-CA 3.45Å; Y211-N214 VanDerWaalsContact O-CB 3.3Å; Y211-N214 WeakPolarHBondContact O-CB 3.44Å; Y211-N214 PolarHBondContact O-N 3.4Å; V212-N214 VanDerWaalsContact C-N 3.3Å; V212-N214 PolarHBondContact O-N 3.15Å; N214-H217 WeakPolarHBondContact O-CB 3.21Å; N214-H217 PolarHBondContact O-N 3.5Å; N214-G218 PolarHBondContact O-N 3.04Å; N214-N241 PolarHBondContact ND2-OD1 3.49Å; N214-V324 WeakPolarHBondContact OD1-CG2 3.38Å; N214-V324 PolarHBondContact OD1-N 3.46Å; N214-V325 PolarHBondContact ND2-O 2.89Å; N214-V325 PolarHBondContact OD1-N 3.33Å
215V98.8Very high98Very high0 Ų014.6 Ų14.60%07%0.071CC..Hα-helixtrans-62.7-46.4173.5-175.60000110.8L21 P172 I175 T210 Y211 V212 H217 G218 H219L21-V215 HydrophobicContact CD1-CB 3.94Å; L21-V215 HydrophobicContact CD1-CG1 3.66Å; L21-V215 HydrophobicContact CD2-CG1 4.02Å; P172-V215 HydrophobicContact CB-CG1 3.85Å; P172-V215 HydrophobicContact CB-CG2 3.89Å; P172-V215 HydrophobicContact CG-CG1 4.17Å; I175-V215 HydrophobicContact CD1-CG1 4.22Å; I175-V215 HydrophobicContact CD1-CG2 4.36Å; I175-V215 HydrophobicContact CG1-CG2 4.16Å; I175-V215 HydrophobicContact CG2-CG2 4.14Å; T210-V215 HydrophobicContact CG2-CG2 3.46Å; T210-V215 VanDerWaalsContact CG2-CG2 3.46Å; Y211-V215 PolarHBondContact O-N 2.73Å; V212-V215 PolarHBondContact O-N 3.48Å; V215-H217 VanDerWaalsContact C-N 3.32Å; V215-H217 PolarHBondContact O-N 3.06Å; V215-G218 PolarHBondContact O-N 3.38Å; V215-H219 VanDerWaalsContact CG1-CE1 3.49Å; V215-H219 WeakPolarHBondContact CG1-CE1 3.5Å; V215-H219 PolarHBondContact O-N 3.44Å; V215-H219 PolarHBondContact O-ND1 3.26Å
216V98.8Very high98Very high4 Ų414.6 Ų14.62%0.0247%0.07CC..Hα-helixtrans-58.7-44.8175.4167.80000111.1L21 H24 L25 K28 V212 E213 G218 H219 I220L21-V216 HydrophobicContact CD1-CG2 3.77Å; H24-V216 HydrophobicContact CB-CG2 3.83Å; L25-V216 HydrophobicContact CB-CG1 4.44Å; L25-V216 HydrophobicContact CB-CG2 4.07Å; L25-V216 HydrophobicContact CD1-CG1 3.9Å; K28-V216 HydrophobicContact CB-CG1 3.59Å; K28-V216 HydrophobicContact CG-CG1 3.85Å; V212-V216 WeakPolarHBondContact O-CG2 3.03Å; V212-V216 PolarHBondContact O-N 3.29Å; E213-V216 PolarHBondContact O-N 2.93Å; V216-G218 VanDerWaalsContact C-N 3.33Å; V216-G218 PolarHBondContact O-N 3.21Å; V216-H219 PolarHBondContact O-N 2.96Å; V216-I220 HydrophobicContact CG1-CD1 3.89Å; V216-I220 WeakPolarHBondContact O-CG1 3.34Å; V216-I220 PolarHBondContact O-N 2.75Å
217H98.7Very high97.8Very high32 Ų3218.5 Ų18.515%0.1488%0.082CC..Hα-helixtrans-57.7-45.9176.1-179.248.1000111.7E213 N214 V215 H219 I220 L221 Y321 K322 V324E213-H217 VanDerWaalsContact O-CB 3.32Å; E213-H217 WeakPolarHBondContact O-CB 3.31Å; E213-H217 PolarHBondContact O-N 3.47Å; N214-H217 WeakPolarHBondContact O-CB 3.21Å; N214-H217 PolarHBondContact O-N 3.5Å; V215-H217 VanDerWaalsContact C-N 3.32Å; V215-H217 PolarHBondContact O-N 3.06Å; H217-H219 PolarHBondContact O-N 3.45Å; H217-I220 PolarHBondContact O-N 3.35Å; H217-L221 WeakPolarHBondContact NE2-CD1 3.38Å; H217-L221 WeakPolarHBondContact O-CG 3.48Å; H217-L221 PolarHBondContact O-N 2.87Å; H217-Y321 AromaticContact CD2-CD2 3.97Å; H217-K322 PolarHBondContact CD2-O 2.89Å; H217-V324 HydrophobicContact CB-CG2 4.19Å
218G98.6Very high97.6Very high0 Ų020.7 Ų20.70%010%0.1CC..Hα-helixtrans-59.8-40.8175.200000113.5N214 V215 V216 L221 A222N214-G218 PolarHBondContact O-N 3.04Å; V215-G218 PolarHBondContact O-N 3.38Å; V216-G218 VanDerWaalsContact C-N 3.33Å; V216-G218 PolarHBondContact O-N 3.21Å; G218-L221 PolarHBondContact O-N 3.16Å; G218-A222 WeakPolarHBondContact O-CB 3.47Å; G218-A222 PolarHBondContact O-N 3.04Å
219H98.8Very high97.3Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-62.5-45.4175.8-76.271.1000111.9L25 F74 T115 I170 V215 V216 H217 A222 A223L25-H219 HydrophobicContact CD1-CB 4.33Å; F74-H219 HydrophobicContact CD1-CB 4.21Å; F74-H219 HydrophobicContact CE1-CB 4.05Å; T115-H219 PolarHBondContact OG1-NE2 3.47Å; I170-H219 VanDerWaalsContact CG2-CE1 3.43Å; I170-H219 WeakPolarHBondContact CG2-CE1 3.49Å; V215-H219 VanDerWaalsContact CG1-CE1 3.49Å; V215-H219 WeakPolarHBondContact CG1-CE1 3.5Å; V215-H219 PolarHBondContact O-N 3.44Å; V215-H219 PolarHBondContact O-ND1 3.26Å; V216-H219 PolarHBondContact O-N 2.96Å; H217-H219 PolarHBondContact O-N 3.45Å; H219-A222 PolarHBondContact O-N 3.14Å; H219-A223 PolarHBondContact O-N 3.15Å
220I98.5Very high97Very high2 Ų227 Ų271%0.0114%0.135CC..Hα-helixtrans-65.2-44.8-179.8-65169.4000110.3L25 K28 L29 V216 H217 A222 A223 E224L25-I220 HydrophobicContact CD1-CD1 4.31Å; L25-I220 HydrophobicContact CD1-CG1 3.93Å; K28-I220 HydrophobicContact CB-CD1 4.11Å; K28-I220 HydrophobicContact CG-CD1 3.66Å; L29-I220 HydrophobicContact CD2-CG1 4.22Å; V216-I220 HydrophobicContact CG1-CD1 3.89Å; V216-I220 WeakPolarHBondContact O-CG1 3.34Å; V216-I220 PolarHBondContact O-N 2.75Å; H217-I220 PolarHBondContact O-N 3.35Å; I220-A222 VanDerWaalsContact C-N 3.32Å; I220-A222 PolarHBondContact O-N 2.76Å; I220-A223 WeakPolarHBondContact O-CB 3.42Å; I220-A223 PolarHBondContact O-N 2.83Å; I220-A223 VanDerWaalsContact O-N 3.17Å; I220-E224 HydrophobicContact CG2-CG 4.3Å; I220-E224 WeakPolarHBondContact CG2-OE1 3.45Å; I220-E224 WeakPolarHBondContact O-CG 3.36Å; I220-E224 PolarHBondContact O-N 2.75Å
221L98.3Very high96.7Very high16 Ų1630 Ų308%0.08415%0.154CC..Hα-helixtrans-60.6-42175.8-73.3178.8000112.1H217 G218 A223 E224 H225 L319 Y321H217-L221 WeakPolarHBondContact NE2-CD1 3.38Å; H217-L221 WeakPolarHBondContact O-CG 3.48Å; H217-L221 PolarHBondContact O-N 2.87Å; G218-L221 PolarHBondContact O-N 3.16Å; L221-A223 VanDerWaalsContact C-N 3.34Å; L221-A223 PolarHBondContact O-N 3.13Å; L221-E224 PolarHBondContact O-N 3.37Å; L221-H225 WeakPolarHBondContact O-CB 3.46Å; L221-H225 PolarHBondContact O-N 2.85Å; L221-H225 PolarHBondContact O-ND1 3.17Å; L221-L319 HydrophobicContact CB-CB 4.24Å; L221-Y321 HydrophobicContact CD1-CD2 4.11Å
222A98.1Very high96.5Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-58.6-45.7174.600000111.3V113 V168 I170 G218 H219 I220 E224 H225 L226 I232 L319V113-A222 HydrophobicContact CG1-CB 4.45Å; V168-A222 HydrophobicContact CG1-CB 3.95Å; V168-A222 HydrophobicContact CG2-CB 4.44Å; I170-A222 HydrophobicContact CD1-CB 3.65Å; I170-A222 HydrophobicContact CG1-CB 4.33Å; G218-A222 WeakPolarHBondContact O-CB 3.47Å; G218-A222 PolarHBondContact O-N 3.04Å; H219-A222 PolarHBondContact O-N 3.14Å; I220-A222 VanDerWaalsContact C-N 3.32Å; I220-A222 PolarHBondContact O-N 2.76Å; A222-E224 PolarHBondContact O-N 3.33Å; A222-H225 PolarHBondContact O-N 3.14Å; A222-L226 WeakPolarHBondContact O-CB 3.33Å; A222-L226 PolarHBondContact O-N 3.4Å; A222-I232 WeakPolarHBondContact O-CD1 3.27Å; A222-L319 HydrophobicContact CB-CD1 4.43Å; A222-L319 HydrophobicContact CB-CD2 4.49Å
223A97.3Very high96.4Very high3 Ų330.4 Ų30.43%0.02516%0.157CC..Hα-helixtrans-63.4-40.117700000113.7L72 F74 K111 V113 H219 I220 L221L72-A223 HydrophobicContact CD1-CB 3.77Å; L72-A223 HydrophobicContact CD2-CB 3.68Å; L72-A223 HydrophobicContact CG-CB 4.38Å; F74-A223 HydrophobicContact CE1-CB 3.88Å; F74-A223 HydrophobicContact CZ-CB 3.66Å; K111-A223 PolarHBondContact NZ-O 2.88Å; V113-A223 HydrophobicContact CG2-CB 3.99Å; H219-A223 PolarHBondContact O-N 3.15Å; I220-A223 WeakPolarHBondContact O-CB 3.42Å; I220-A223 PolarHBondContact O-N 2.83Å; I220-A223 VanDerWaalsContact O-N 3.17Å; L221-A223 VanDerWaalsContact C-N 3.34Å; L221-A223 PolarHBondContact O-N 3.13Å
224E95.5Very high96.3Very high63 Ų6328.8 Ų28.829%0.29416%0.157SC..Hα-helixtrans-68.5-37.8-179.9-73.6172.9171.900111.9R32 I220 L221 A222 R227R32-E224 IonicContact CZ-OE1 3.25Å; R32-E224 IonicContact NH1-OE1 2.64Å; R32-E224 PolarHBondContact NH1-OE1 3.19Å; R32-E224 IonicContact NH1-OE2 2.8Å; R32-E224 PolarHBondContact NH1-OE2 3.46Å; I220-E224 HydrophobicContact CG2-CG 4.3Å; I220-E224 WeakPolarHBondContact CG2-OE1 3.45Å; I220-E224 WeakPolarHBondContact O-CG 3.36Å; I220-E224 PolarHBondContact O-N 2.75Å; L221-E224 PolarHBondContact O-N 3.37Å; A222-E224 PolarHBondContact O-N 3.33Å; E224-R227 PolarHBondContact O-NH2 3.05Å
225H96.3Very high96.3Very high59 Ų5933.5 Ų33.527%0.27318%0.178SC..Hα-helixtrans-91.6-6.7-179-66.984.5000114.2L221 A222 R227 S230 I232 L319L221-H225 WeakPolarHBondContact O-CB 3.46Å; L221-H225 PolarHBondContact O-N 2.85Å; L221-H225 PolarHBondContact O-ND1 3.17Å; A222-H225 PolarHBondContact O-N 3.14Å; H225-R227 PolarHBondContact O-N 3.05Å; H225-S230 VanDerWaalsContact O-CB 3.26Å; H225-S230 WeakPolarHBondContact O-CB 3.18Å; H225-S230 PolarHBondContact O-OG 2.64Å; H225-I232 VanDerWaalsContact C-CD1 3.46Å; H225-I232 HydrophobicContact CB-CD1 3.84Å; H225-L319 HydrophobicContact CB-CD2 4Å; H225-L319 PolarHBondContact CE1-O 3.13Å; H225-L319 VanDerWaalsContact CE1-O 3.29Å
226L96.1Very high96.3Very high0 Ų034.6 Ų34.60%019%0.185CC..  trans-74.5102.6-179.1-175.861.5000110.5K111 L166 V168 A222 I232 C233K111-L226 HydrophobicContact CB-CD2 3.96Å; K111-L226 HydrophobicContact CD-CB 4.22Å; K111-L226 HydrophobicContact CD-CD2 4.32Å; K111-L226 HydrophobicContact CD-CG 4.42Å; K111-L226 WeakPolarHBondContact CE-O 3.27Å; K111-L226 HydrophobicContact CG-CD2 4.06Å; K111-L226 HydrophobicContact CG-CG 4.41Å; K111-L226 PolarHBondContact NZ-O 2.95Å; L166-L226 HydrophobicContact CB-CD1 3.92Å; L166-L226 HydrophobicContact CB-CD2 3.92Å; L166-L226 HydrophobicContact CB-CG 3.72Å; L166-L226 HydrophobicContact CD1-CG 4.32Å; V168-L226 HydrophobicContact CB-CD1 4.24Å; V168-L226 HydrophobicContact CB-CD2 4.46Å; V168-L226 HydrophobicContact CG1-CD1 4.5Å; V168-L226 HydrophobicContact CG1-CD2 3.97Å; A222-L226 WeakPolarHBondContact O-CB 3.33Å; A222-L226 PolarHBondContact O-N 3.4Å; L226-I232 HydrophobicContact CB-CD1 4.03Å; L226-I232 HydrophobicContact CB-CG1 4.42Å; L226-I232 HydrophobicContact CD1-CD1 4.3Å; L226-I232 HydrophobicContact CD1-CG1 3.84Å; L226-C233 HydrophobicContact CD1-CB 4.02Å
227R94.4Very high96.2Very high132 Ų13234.6 Ų34.650%0.49818%0.184SC..  trans-133.2160.3177.9-50.7176.9-143.9-93.9-4.5108.6L166 E224 H225 D229 S230L166-R227 VanDerWaalsContact CD1-C 3.47Å; E224-R227 PolarHBondContact O-NH2 3.05Å; H225-R227 PolarHBondContact O-N 3.05Å; R227-D229 VanDerWaalsContact C-N 3.28Å; R227-D229 WeakPolarHBondContact CB-OD1 3.47Å; R227-D229 PolarHBondContact O-N 2.98Å; R227-S230 WeakPolarHBondContact O-CB 3.19Å; R227-S230 PolarHBondContact O-N 3.28Å
228A92.4Very high96.2Very high46 Ų4633 Ų3338%0.3818%0.177SC..SBendtrans-64.1-36-175.700000112.6K161 L166K161-A228 HydrophobicContact CB-CB 4.38Å; K161-A228 VanDerWaalsContact CD-O 3.22Å; K161-A228 WeakPolarHBondContact CD-O 3.19Å; K161-A228 WeakPolarHBondContact CE-O 3.18Å; K161-A228 PolarHBondContact NZ-O 2.97Å; L166-A228 HydrophobicContact CD1-CB 4.47Å; L166-A228 HydrophobicContact CD2-CB 4.08Å
229D91.7Very high96.2Very high135 Ų13533 Ų3372%0.72218%0.177SC*.SBendtrans-82.1-16.3176.360.8-28.5000113.5R227R227-D229 VanDerWaalsContact C-N 3.28Å; R227-D229 WeakPolarHBondContact CB-OD1 3.47Å; R227-D229 PolarHBondContact O-N 2.98Å
230S91.4Very high96.2Very high13 Ų1333.1 Ų33.19%0.09118%0.178CC..SBendtrans-65.4141.9-178.5-179.50000112H225 R227 I232 C233H225-S230 VanDerWaalsContact O-CB 3.26Å; H225-S230 WeakPolarHBondContact O-CB 3.18Å; H225-S230 PolarHBondContact O-OG 2.64Å; R227-S230 WeakPolarHBondContact O-CB 3.19Å; R227-S230 PolarHBondContact O-N 3.28Å; S230-I232 PolarHBondContact O-N 3.01Å; S230-I232 WeakPolarHBondContact OG-CG1 3.48Å; S230-I232 PolarHBondContact OG-N 2.88Å; S230-C233 PolarHBondContact O-N 2.89Å
231P91.8Very high96.2Very high63 Ų6333.1 Ų33.141%0.40918%0.178SC..THydrogen-bonded Turntrans-63.6-7.6176.127.6-36.4000113.3K235 Y237 H318P231-K235 WeakPolarHBondContact O-CD 3.35Å; P231-K235 WeakPolarHBondContact O-CE 3.33Å; P231-K235 PolarHBondContact O-NZ 3.43Å; P231-K235 VanDerWaalsContact O-NZ 3.17Å; P231-Y237 PolarHBondContact O-OH 2.85Å; P231-H318 HydrophobicContact CG-CB 4.27Å
232I95.3Very high96.1Very high0 Ų035.9 Ų35.90%019%0.192CC..THydrogen-bonded Turntrans-91.5-18.8-175.384.8176.2000115.2A222 H225 L226 S230 G234 K235 Y237 H318 L319A222-I232 WeakPolarHBondContact O-CD1 3.27Å; H225-I232 VanDerWaalsContact C-CD1 3.46Å; H225-I232 HydrophobicContact CB-CD1 3.84Å; L226-I232 HydrophobicContact CB-CD1 4.03Å; L226-I232 HydrophobicContact CB-CG1 4.42Å; L226-I232 HydrophobicContact CD1-CD1 4.3Å; L226-I232 HydrophobicContact CD1-CG1 3.84Å; S230-I232 PolarHBondContact O-N 3.01Å; S230-I232 WeakPolarHBondContact OG-CG1 3.48Å; S230-I232 PolarHBondContact OG-N 2.88Å; I232-G234 PolarHBondContact O-N 3.45Å; I232-K235 PolarHBondContact O-N 3.16Å; I232-Y237 WeakPolarHBondContact CA-OH 3.4Å; I232-Y237 HydrophobicContact CB-CE2 3.59Å; I232-Y237 HydrophobicContact CG2-CE1 4.48Å; I232-Y237 HydrophobicContact CG2-CE2 3.91Å; I232-Y237 WeakPolarHBondContact CG2-OH 3.45Å; I232-H318 HydrophobicContact CG2-CB 3.74Å; I232-L319 HydrophobicContact CB-CD2 4.43Å; I232-L319 HydrophobicContact CD1-CD2 3.5Å; I232-L319 HydrophobicContact CG2-CD2 3.77Å
233C96.3Very high96.1Very high10 Ų1039.7 Ų39.77%0.06821%0.21CC..THydrogen-bonded Turntrans-64.7134.4-179.2-165.50000111C159 L166 T167 L226 S230 K235C159-C233 WeakPolarHBondContact CB-SG 3.47Å; C159-C233 WeakPolarHBondContact SG-CB 3.27Å; C159-C233 CovalentContact SG-SG 2.12Å; C159-C233 PolarHBondContact SG-SG 3.32Å; L166-C233 VanDerWaalsContact CA-SG 3.56Å; L166-C233 VanDerWaalsContact CD2-SG 3.58Å; T167-C233 WeakPolarHBondContact O-CA 3.3Å; L226-C233 HydrophobicContact CD1-CB 4.02Å; S230-C233 PolarHBondContact O-N 2.89Å; C233-K235 PolarHBondContact O-N 3.04Å
234G97.1Very high96.1Very high27 Ų2742.1 Ų42.128%0.27823%0.226SC..THydrogen-bonded Turntrans71.119.3177.900000112.8T167 I232T167-G234 PolarHBondContact O-N 2.8Å; I232-G234 PolarHBondContact O-N 3.45Å
235K97.8Very high96.2Very high99 Ų9940.2 Ų40.243%0.4322%0.218SC..EExtended strand (participates in β ladder)trans-122.5151.2-179.6-61.7-164.7-169.1168.50113.2V168 A169 P231 I232 C233 Y237V168-K235 WeakPolarHBondContact CG2-O 3.43Å; A169-K235 PolarHBondContact N-O 3.47Å; A169-K235 VanDerWaalsContact N-O 3.16Å; P231-K235 WeakPolarHBondContact O-CD 3.35Å; P231-K235 WeakPolarHBondContact O-CE 3.33Å; P231-K235 PolarHBondContact O-NZ 3.43Å; P231-K235 VanDerWaalsContact O-NZ 3.17Å; I232-K235 PolarHBondContact O-N 3.16Å; C233-K235 PolarHBondContact O-N 3.04Å; K235-Y237 HydrophobicContact CB-CE2 3.9Å
236P98.3Very high96.3Very high22 Ų2243 Ų4314%0.14323%0.226CC..EExtended strand (participates in β ladder)trans-84.9157.5167.434.2-30.7000111.5E132 L156 A169 R171E132-P236 HydrophobicContact CB-CG 4.38Å; E132-P236 WeakPolarHBondContact CG-O 3.36Å; L156-P236 HydrophobicContact CD1-CB 4.3Å; L156-P236 HydrophobicContact CD1-CG 4.3Å; A169-P236 HydrophobicContact CB-CB 4.34Å; A169-P236 CarbonylContact O-C 3.6Å; A169-P236 VanDerWaalsContact O-CA 3.27Å; A169-P236 WeakPolarHBondContact O-CA 3.37Å; R171-P236 HydrophobicContact CG-CB 4.35Å
237Y98.5Very high96.3Very high4 Ų444.4 Ų44.42%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-140.6130.1174.5-75-89.4000110.9V168 A169 I170 R171 P231 I232 K235 H314 A315 H318 L319V168-Y237 HydrophobicContact CG2-CD2 3.84Å; V168-Y237 HydrophobicContact CG2-CE2 4.2Å; A169-Y237 PolarHBondContact O-N 3.21Å; I170-Y237 CarbonylContact C-O 3.55Å; R171-Y237 PolarHBondContact N-O 3.31Å; P231-Y237 PolarHBondContact O-OH 2.85Å; I232-Y237 WeakPolarHBondContact CA-OH 3.4Å; I232-Y237 HydrophobicContact CB-CE2 3.59Å; I232-Y237 HydrophobicContact CG2-CE1 4.48Å; I232-Y237 HydrophobicContact CG2-CE2 3.91Å; I232-Y237 WeakPolarHBondContact CG2-OH 3.45Å; K235-Y237 HydrophobicContact CB-CE2 3.9Å; Y237-H314 HydrophobicContact CD1-CB 4.13Å; Y237-H314 HydrophobicContact CE1-CB 3.87Å; Y237-A315 HydrophobicContact CD1-CB 4.22Å; Y237-H318 HydrophobicContact CE1-CB 4.02Å; Y237-H318 AromaticContact CE1-ND1 3.54Å; Y237-H318 AromaticContact CZ-ND1 3.67Å; Y237-H318 PolarHBondContact OH-ND1 2.6Å; Y237-L319 HydrophobicContact CD1-CD1 4.29Å; Y237-L319 HydrophobicContact CG-CD1 4.21Å
238H98.5Very high96.4Very high0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-76129.7169.7-71.5-68.6000109.9E132 R171 T240 Y310 S311 C312E132-H238 IonicContact OE1-CD2 3.99Å; E132-H238 PolarHBondContact OE1-N 2.77Å; R171-H238 WeakPolarHBondContact CB-ND1 3.34Å; H238-T240 HydrophobicContact CB-CG2 4.49Å; H238-Y310 AromaticContact CE1-CD1 3.52Å; H238-Y310 AromaticContact CE1-CG 3.96Å; H238-Y310 AromaticContact ND1-CD1 3.96Å; H238-Y310 AromaticContact ND1-CG 3.93Å; H238-Y310 AromaticContact NE2-CD1 3.83Å; H238-S311 WeakPolarHBondContact CB-O 3.39Å; H238-C312 WeakPolarHBondContact O-CB 3.13Å
239I98.5Very high96.6Very high0 Ų039.7 Ų39.70%021%0.209CC..EExtended strand (participates in β ladder)trans-119106.7174-63.8-63.1000106.7I170 R171 P172 T210 A315 L319 Y321I170-I239 HydrophobicContact CD1-CG1 4.07Å; I170-I239 HydrophobicContact CG2-CB 3.9Å; I170-I239 HydrophobicContact CG2-CG1 3.47Å; I170-I239 VanDerWaalsContact CG2-CG1 3.47Å; R171-I239 PolarHBondContact O-N 2.9Å; P172-I239 WeakPolarHBondContact CA-O 3.2Å; T210-I239 PolarHBondContact OG1-O 3.46Å; I239-A315 HydrophobicContact CD1-CB 3.74Å; I239-L319 HydrophobicContact CD1-CD1 4.44Å; I239-Y321 HydrophobicContact CD1-CD1 4.15Å; I239-Y321 HydrophobicContact CD1-CD2 3.95Å; I239-Y321 HydrophobicContact CD1-CE1 4.38Å; I239-Y321 HydrophobicContact CD1-CE2 4.19Å; I239-Y321 HydrophobicContact CD1-CG 3.93Å; I239-Y321 HydrophobicContact CG2-CE1 4.33Å; I239-Y321 HydrophobicContact CG2-CE2 3.79Å
240T97.9Very high96.9Very high2 Ų233.2 Ų33.21%0.01217%0.174CC..  trans-121.4173.6-177.171.80000110.5D208 T210 H238 D242 Y321D208-T240 HydrophobicContact CB-CG2 4.32Å; D208-T240 WeakPolarHBondContact OD2-CG2 3.13Å; T210-T240 WeakPolarHBondContact OG1-CA 3.39Å; H238-T240 HydrophobicContact CB-CG2 4.49Å; T240-D242 PolarHBondContact O-N 3.17Å; T240-D242 PolarHBondContact OG1-N 3.03Å; T240-Y321 WeakPolarHBondContact O-CE1 3.43Å; T240-Y321 PolarHBondContact O-OH 2.97Å
241N97.9Very high97.1Very high1 Ų133.3 Ų33.31%0.00517%0.174CC..  trans-78.2-1.9173.8-135.482.8000113.4F209 Y211 N214 E243 P323 V325 L327F209-N241 WeakPolarHBondContact O-CB 3.5Å; Y211-N241 PolarHBondContact N-OD1 3.45Å; Y211-N241 VanDerWaalsContact N-OD1 3.14Å; N214-N241 PolarHBondContact ND2-OD1 3.49Å; N241-E243 PolarHBondContact ND2-OE2 3.34Å; N241-E243 PolarHBondContact O-N 3.39Å; N241-E243 VanDerWaalsContact O-N 3.09Å; N241-P323 VanDerWaalsContact O-CG 3.31Å; N241-P323 WeakPolarHBondContact O-CG 3.44Å; N241-V325 PolarHBondContact ND2-O 3.49Å; N241-L327 WeakPolarHBondContact ND2-CA 3.45Å; N241-L327 PolarHBondContact ND2-N 3.5Å
242D97.2Very high97.3Very high74 Ų7431.4 Ų31.440%0.39616%0.161SC..SBendtrans5717.7-174.1-154.438.6000114.3T240 K316 P323T240-D242 PolarHBondContact O-N 3.17Å; T240-D242 PolarHBondContact OG1-N 3.03Å; D242-K316 WeakPolarHBondContact OD1-CE 3.5Å; D242-K316 IonicContact OD1-NZ 3.67Å; D242-K316 PolarHBondContact OD1-NZ 3.27Å; D242-K316 WeakPolarHBondContact OD2-CE 3.44Å; D242-K316 IonicContact OD2-NZ 3.96Å; D242-K316 PolarHBondContact OD2-NZ 2.85Å; D242-P323 HydrophobicContact CB-CG 3.79Å
243E97.4Very high97.5Very high81 Ų8135.6 Ų35.638%0.37918%0.181SC..  trans-137.169.5-175.1-68173.8109.200108.6N241 I245 S326 L327N241-E243 PolarHBondContact ND2-OE2 3.34Å; N241-E243 PolarHBondContact O-N 3.39Å; N241-E243 VanDerWaalsContact O-N 3.09Å; E243-I245 PolarHBondContact O-N 3.33Å; E243-S326 WeakPolarHBondContact OE2-CA 3.48Å; E243-L327 HydrophobicContact CB-CB 4.2Å; E243-L327 HydrophobicContact CB-CD2 4.47Å; E243-L327 WeakPolarHBondContact OE2-CB 3.29Å; E243-L327 PolarHBondContact OE2-N 3.27Å
244P97.1Very high97.5Very high54 Ų5435.1 Ų35.135%0.35118%0.178SC..  trans-60.3133.1179.225.7-33.8000110Y309P244-Y309 HydrophobicContact CB-CD2 4.14Å; P244-Y309 HydrophobicContact CB-CG 4.12Å; P244-Y309 HydrophobicContact CG-CD2 4.28Å
245I97.9Very high97.5Very high23 Ų2333.8 Ų33.812%0.11817%0.165CC..EExtended strand (participates in β ladder)trans-122.9154.9-175.1-172.3167.6000109.3L206 V207 F209 E243 F247 D249 F250 L327L206-I245 WeakPolarHBondContact CA-O 3.1Å; V207-I245 PolarHBondContact N-O 3.41Å; V207-I245 PolarHBondContact O-N 2.87Å; V207-I245 VanDerWaalsContact O-N 3.09Å; F209-I245 HydrophobicContact CD2-CG2 3.82Å; F209-I245 HydrophobicContact CE2-CG2 4.45Å; E243-I245 PolarHBondContact O-N 3.33Å; I245-F247 PolarHBondContact O-N 3.18Å; I245-D249 HydrophobicContact CD1-CB 4.29Å; I245-D249 HydrophobicContact CG1-CB 4.09Å; I245-F250 HydrophobicContact CD1-CB 4.1Å; I245-F250 HydrophobicContact CG1-CB 4.44Å; I245-F250 HydrophobicContact CG2-CB 3.85Å; I245-F250 HydrophobicContact CG2-CD2 4.4Å; I245-F250 HydrophobicContact CG2-CG 4.48Å; I245-L327 HydrophobicContact CB-CD2 3.76Å; I245-L327 HydrophobicContact CD1-CD2 3.81Å; I245-L327 HydrophobicContact CG1-CD2 4.35Å; I245-L327 HydrophobicContact CG2-CD2 3.8Å
246R97.9Very high97.5Very high117 Ų11733.2 Ų33.244%0.44217%0.169SC..EExtended strand (participates in β ladder)trans-64.4135.4170.8-57.1-174.7-173.7110.7-5.2109.2G203 N205 L206 W248 D249 F250G203-R246 WeakPolarHBondContact O-CD 3.45Å; N205-R246 VanDerWaalsContact O-CA 3.32Å; N205-R246 WeakPolarHBondContact O-CA 3.48Å; L206-R246 HydrophobicContact CD2-CG 3.96Å; R246-W248 PolarHBondContact O-N 2.95Å; R246-W248 VanDerWaalsContact O-N 3.17Å; R246-D249 HydrophobicContact CB-CB 4Å; R246-D249 WeakPolarHBondContact CB-OD2 3.27Å; R246-D249 VanDerWaalsContact CD-OD2 3.27Å; R246-D249 WeakPolarHBondContact CD-OD2 3.45Å; R246-D249 WeakPolarHBondContact CG-OD2 3.34Å; R246-D249 IonicContact CZ-OD2 2.98Å; R246-D249 IonicContact NE-OD2 3.7Å; R246-D249 IonicContact NH1-OD2 2.69Å; R246-D249 PolarHBondContact NH1-OD2 3.46Å; R246-D249 PolarHBondContact O-N 2.94Å; R246-F250 PolarHBondContact O-N 2.93Å; R246-F250 VanDerWaalsContact O-N 3.1Å
247F96.6Very high97.4Very high30 Ų3033.8 Ų33.813%0.13218%0.179CC..Hα-helixtrans-50.8-46.5-178.7178.8-89.4000111.8N205 V207 F209 I245 M251 A304N205-F247 WeakPolarHBondContact ND2-CB 3.46Å; N205-F247 PolarHBondContact O-N 3.43Å; V207-F247 HydrophobicContact CG1-CB 3.96Å; V207-F247 HydrophobicContact CG1-CD2 4.33Å; V207-F247 HydrophobicContact CG2-CB 3.92Å; V207-F247 HydrophobicContact CG2-CD2 4.15Å; F209-F247 HydrophobicContact CE2-CD2 4.38Å; F209-F247 AromaticContact CZ-CD2 3.97Å; F209-F247 HydrophobicContact CZ-CD2 3.97Å; F209-F247 HydrophobicContact CZ-CE2 4.14Å; I245-F247 PolarHBondContact O-N 3.18Å; F247-M251 HydrophobicContact CD1-CG 4.22Å; F247-M251 HydrophobicContact CD2-CE 4.35Å; F247-M251 HydrophobicContact CE1-CE 4.21Å; F247-M251 HydrophobicContact CE1-CG 3.88Å; F247-M251 HydrophobicContact CE2-CE 3.69Å; F247-M251 HydrophobicContact CZ-CE 3.61Å; F247-M251 HydrophobicContact CZ-CG 4.24Å; F247-M251 VanDerWaalsContact O-CG 3.31Å; F247-M251 WeakPolarHBondContact O-CG 3.17Å; F247-M251 PolarHBondContact O-N 3.03Å; F247-M251 VanDerWaalsContact O-N 3.14Å; F247-A304 HydrophobicContact CD1-CB 4.34Å; F247-A304 HydrophobicContact CE1-CB 3.82Å; F247-A304 HydrophobicContact CZ-CB 4.01Å
248W96Very high97.3Very high15 Ų1533.7 Ų33.76%0.05718%0.179CC..Hα-helixtrans-76.2-25.7-176.9-63.298.5000113.8M196 F198 I199 I200 R246 S252 P263 A304M196-W248 HydrophobicContact CE-CZ3 3.85Å; F198-W248 WeakPolarHBondContact O-CH2 3.25Å; F198-W248 WeakPolarHBondContact O-CZ3 3.35Å; I199-W248 HydrophobicContact CB-CD2 4.18Å; I199-W248 HydrophobicContact CB-CG 4.31Å; I199-W248 HydrophobicContact CD1-CB 4.47Å; I199-W248 HydrophobicContact CG1-CB 4.33Å; I199-W248 HydrophobicContact CG1-CD2 4.09Å; I199-W248 HydrophobicContact CG1-CE3 4.19Å; I199-W248 HydrophobicContact CG1-CG 4.16Å; I199-W248 HydrophobicContact CG2-CB 4.37Å; I199-W248 HydrophobicContact CG2-CD2 4.01Å; I199-W248 HydrophobicContact CG2-CG 3.73Å; I200-W248 HydrophobicContact CB-CZ2 3.74Å; I200-W248 HydrophobicContact CD1-CH2 4.4Å; I200-W248 HydrophobicContact CD1-CZ2 4.07Å; I200-W248 HydrophobicContact CG1-CH2 4.2Å; I200-W248 HydrophobicContact CG1-CZ2 3.71Å; I200-W248 PolarHBondContact O-NE1 2.95Å; R246-W248 PolarHBondContact O-N 2.95Å; R246-W248 VanDerWaalsContact O-N 3.17Å; W248-S252 VanDerWaalsContact O-CB 3.29Å; W248-S252 WeakPolarHBondContact O-CB 3.45Å; W248-S252 PolarHBondContact O-N 2.77Å; W248-S252 PolarHBondContact O-OG 3.31Å; W248-P263 HydrophobicContact CE3-CB 4.32Å; W248-P263 HydrophobicContact CE3-CG 4.02Å; W248-A304 HydrophobicContact CZ2-CB 3.96Å; W248-A304 PolarHBondContact NE1-O 3.46Å; W248-A304 VanDerWaalsContact NE1-O 3.14Å
249D97Very high97.2Very high63 Ų6335.7 Ų35.734%0.33720%0.2SC..Hα-helixtrans-68.2-46.7173.2-69.8-13.3000109.5I245 R246 M251 S252 E253I245-D249 HydrophobicContact CD1-CB 4.29Å; I245-D249 HydrophobicContact CG1-CB 4.09Å; R246-D249 HydrophobicContact CB-CB 4Å; R246-D249 WeakPolarHBondContact CB-OD2 3.27Å; R246-D249 VanDerWaalsContact CD-OD2 3.27Å; R246-D249 WeakPolarHBondContact CD-OD2 3.45Å; R246-D249 WeakPolarHBondContact CG-OD2 3.34Å; R246-D249 IonicContact CZ-OD2 2.98Å; R246-D249 IonicContact NE-OD2 3.7Å; R246-D249 IonicContact NH1-OD2 2.69Å; R246-D249 PolarHBondContact NH1-OD2 3.46Å; R246-D249 PolarHBondContact O-N 2.94Å; D249-M251 PolarHBondContact O-N 3.07Å; D249-S252 WeakPolarHBondContact O-CB 3.48Å; D249-S252 PolarHBondContact O-N 2.84Å; D249-S252 VanDerWaalsContact O-N 3.13Å; D249-E253 PolarHBondContact O-N 3.14Å
250F97.7Very high97.1Very high0 Ų036.5 Ų36.50%020%0.203CC..Hα-helixtrans-58-48.8174.6177.6-92.2000112.4F176 L183 F209 I245 R246 S252 E253 V254 L327 I331F176-F250 HydrophobicContact CB-CZ 4.29Å; F176-F250 HydrophobicContact CD1-CE2 4.14Å; F176-F250 HydrophobicContact CD1-CZ 4.09Å; F176-F250 HydrophobicContact CD2-CE2 4.21Å; F176-F250 AromaticContact CD2-CZ 3.99Å; F176-F250 HydrophobicContact CD2-CZ 3.99Å; F176-F250 HydrophobicContact CE1-CE2 4.04Å; F176-F250 HydrophobicContact CE1-CZ 4.45Å; F176-F250 HydrophobicContact CE2-CE2 4.1Å; F176-F250 HydrophobicContact CE2-CZ 4.36Å; F176-F250 HydrophobicContact CG-CE2 4.22Å; F176-F250 AromaticContact CG-CZ 3.85Å; F176-F250 HydrophobicContact CG-CZ 3.85Å; F176-F250 HydrophobicContact CZ-CE2 4.03Å; L183-F250 HydrophobicContact CD1-CE1 3.99Å; L183-F250 HydrophobicContact CD1-CZ 4.47Å; L183-F250 HydrophobicContact CD2-CE1 3.96Å; L183-F250 HydrophobicContact CD2-CZ 4.39Å; F209-F250 HydrophobicContact CB-CD2 3.93Å; F209-F250 HydrophobicContact CB-CE2 3.64Å; F209-F250 HydrophobicContact CB-CG 4.5Å; F209-F250 HydrophobicContact CB-CZ 3.98Å; F209-F250 AromaticContact CD1-CD1 3.95Å; F209-F250 HydrophobicContact CD1-CD1 3.95Å; F209-F250 AromaticContact CD1-CE1 3.59Å; F209-F250 HydrophobicContact CD1-CE1 3.59Å; F209-F250 HydrophobicContact CD1-CE2 4.23Å; F209-F250 HydrophobicContact CD1-CG 4.41Å; F209-F250 AromaticContact CD1-CZ 3.75Å; F209-F250 HydrophobicContact CD1-CZ 3.75Å; F209-F250 HydrophobicContact CD2-CB 3.73Å; F209-F250 AromaticContact CD2-CD1 3.56Å; F209-F250 HydrophobicContact CD2-CD1 3.56Å; F209-F250 AromaticContact CD2-CD2 3.56Å; F209-F250 HydrophobicContact CD2-CD2 3.56Å; F209-F250 HydrophobicContact CD2-CE1 4.02Å; F209-F250 HydrophobicContact CD2-CE2 4.02Å; F209-F250 AromaticContact CD2-CG 3.31Å; F209-F250 HydrophobicContact CD2-CG 3.31Å; F209-F250 HydrophobicContact CD2-CZ 4.23Å; F209-F250 AromaticContact CE1-CD1 3.82Å; F209-F250 HydrophobicContact CE1-CD1 3.82Å; F209-F250 AromaticContact CE1-CE1 3.68Å; F209-F250 HydrophobicContact CE1-CE1 3.68Å; F209-F250 HydrophobicContact CE1-CZ 4.32Å; F209-F250 HydrophobicContact CE2-CB 3.61Å; F209-F250 AromaticContact CE2-CD1 3.37Å; F209-F250 HydrophobicContact CE2-CD1 3.37Å; F209-F250 HydrophobicContact CE2-CD2 4.18Å; F209-F250 HydrophobicContact CE2-CE1 4.05Å; F209-F250 AromaticContact CE2-CG 3.45Å; F209-F250 HydrophobicContact CE2-CG 3.45Å; F209-F250 VanDerWaalsContact CE2-CG 3.45Å; F209-F250 AromaticContact CG-CD1 3.84Å; F209-F250 HydrophobicContact CG-CD1 3.84Å; F209-F250 AromaticContact CG-CD2 3.76Å; F209-F250 HydrophobicContact CG-CD2 3.76Å; F209-F250 AromaticContact CG-CE1 3.78Å; F209-F250 HydrophobicContact CG-CE1 3.78Å; F209-F250 AromaticContact CG-CE2 3.71Å; F209-F250 HydrophobicContact CG-CE2 3.71Å; F209-F250 AromaticContact CG-CG 3.83Å; F209-F250 HydrophobicContact CG-CG 3.83Å; F209-F250 AromaticContact CG-CZ 3.72Å; F209-F250 HydrophobicContact CG-CZ 3.72Å; F209-F250 AromaticContact CZ-CD1 3.53Å; F209-F250 HydrophobicContact CZ-CD1 3.53Å; F209-F250 AromaticContact CZ-CE1 3.92Å; F209-F250 HydrophobicContact CZ-CE1 3.92Å; F209-F250 HydrophobicContact CZ-CG 4.11Å; I245-F250 HydrophobicContact CD1-CB 4.1Å; I245-F250 HydrophobicContact CG1-CB 4.44Å; I245-F250 HydrophobicContact CG2-CB 3.85Å; I245-F250 HydrophobicContact CG2-CD2 4.4Å; I245-F250 HydrophobicContact CG2-CG 4.48Å; R246-F250 PolarHBondContact O-N 2.93Å; R246-F250 VanDerWaalsContact O-N 3.1Å; F250-S252 PolarHBondContact O-N 2.77Å; F250-E253 PolarHBondContact O-N 3.26Å; F250-V254 HydrophobicContact CE1-CG2 4.13Å; F250-V254 HydrophobicContact CZ-CG2 4.11Å; F250-V254 PolarHBondContact O-N 3.2Å; F250-L327 HydrophobicContact CD2-CD1 4.41Å; F250-L327 HydrophobicContact CE2-CD1 4.33Å; F250-I331 HydrophobicContact CD2-CD1 3.75Å; F250-I331 HydrophobicContact CD2-CG1 4.16Å; F250-I331 HydrophobicContact CE2-CD1 3.94Å; F250-I331 HydrophobicContact CE2-CG1 3.81Å
251M96.6Very high96.9Very high15 Ų1539.8 Ų39.87%0.07422%0.224CC..Hα-helixtrans-59.6-38.5177.1-65.5-60.5156.100111.4L187 M196 F209 F247 D249 L255L187-M251 HydrophobicContact CD1-CB 4.35Å; L187-M251 HydrophobicContact CD1-CG 4.45Å; L187-M251 HydrophobicContact CD1-SD 3.66Å; L187-M251 HydrophobicContact CD2-SD 3.73Å; L187-M251 HydrophobicContact CG-SD 4.26Å; M196-M251 HydrophobicContact CE-CB 4.4Å; F209-M251 HydrophobicContact CE1-CE 3.96Å; F209-M251 HydrophobicContact CE2-CE 4.47Å; F209-M251 HydrophobicContact CZ-CE 3.53Å; F247-M251 HydrophobicContact CD1-CG 4.22Å; F247-M251 HydrophobicContact CD2-CE 4.35Å; F247-M251 HydrophobicContact CE1-CE 4.21Å; F247-M251 HydrophobicContact CE1-CG 3.88Å; F247-M251 HydrophobicContact CE2-CE 3.69Å; F247-M251 HydrophobicContact CZ-CE 3.61Å; F247-M251 HydrophobicContact CZ-CG 4.24Å; F247-M251 VanDerWaalsContact O-CG 3.31Å; F247-M251 WeakPolarHBondContact O-CG 3.17Å; F247-M251 PolarHBondContact O-N 3.03Å; F247-M251 VanDerWaalsContact O-N 3.14Å; D249-M251 PolarHBondContact O-N 3.07Å; M251-L255 WeakPolarHBondContact O-CB 3.34Å; M251-L255 WeakPolarHBondContact O-CG 3.43Å; M251-L255 PolarHBondContact O-N 2.93Å
252S96.8Very high96.8Very high22 Ų2241 Ų4115%0.15424%0.235CC..Hα-helixtrans-65.1-45.5177.6-62.40000112.1W248 D249 F250 V254 L255 V256 P263W248-S252 VanDerWaalsContact O-CB 3.29Å; W248-S252 WeakPolarHBondContact O-CB 3.45Å; W248-S252 PolarHBondContact O-N 2.77Å; W248-S252 PolarHBondContact O-OG 3.31Å; D249-S252 WeakPolarHBondContact O-CB 3.48Å; D249-S252 PolarHBondContact O-N 2.84Å; D249-S252 VanDerWaalsContact O-N 3.13Å; F250-S252 PolarHBondContact O-N 2.77Å; S252-V254 PolarHBondContact O-N 2.53Å; S252-L255 PolarHBondContact O-N 2.64Å; S252-V256 WeakPolarHBondContact O-CB 3.37Å; S252-V256 VanDerWaalsContact O-CG2 3.27Å; S252-V256 WeakPolarHBondContact O-CG2 3.38Å; S252-V256 PolarHBondContact O-N 3.38Å; S252-P263 WeakPolarHBondContact OG-CD 3.38Å
253E97.6Very high96.6Very high88 Ų8837.9 Ų37.941%0.41122%0.218SC..Hα-helixtrans-60.9-44.2179.6-71.4-168.2-16400112.1D249 F250 G257 I331D249-E253 PolarHBondContact O-N 3.14Å; F250-E253 PolarHBondContact O-N 3.26Å; E253-G257 PolarHBondContact O-N 2.67Å; E253-I331 HydrophobicContact CB-CD1 4.35Å; E253-I331 HydrophobicContact CB-CG2 4.08Å; E253-I331 VanDerWaalsContact OE2-CD1 3.22Å; E253-I331 WeakPolarHBondContact OE2-CD1 3.46Å
254V97.4Very high96.3Very high0 Ų043 Ų430%023%0.234CC..Hα-helixtrans-65.1-45.6177.2178.80000111.2V184 L187 F250 S252 G257 L258 I331V184-V254 HydrophobicContact CG1-CG1 4.46Å; V184-V254 HydrophobicContact CG2-CG1 4.43Å; L187-V254 HydrophobicContact CD2-CB 3.84Å; L187-V254 HydrophobicContact CD2-CG1 3.71Å; F250-V254 HydrophobicContact CE1-CG2 4.13Å; F250-V254 HydrophobicContact CZ-CG2 4.11Å; F250-V254 PolarHBondContact O-N 3.2Å; S252-V254 PolarHBondContact O-N 2.53Å; V254-G257 PolarHBondContact O-N 3.32Å; V254-L258 HydrophobicContact CG1-CD1 4.15Å; V254-L258 WeakPolarHBondContact O-CG 3.4Å; V254-L258 PolarHBondContact O-N 3.39Å; V254-L258 VanDerWaalsContact O-N 3.15Å; V254-I331 HydrophobicContact CG2-CG2 4.23Å
255L97.3Very high96.2Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-63.2-49-179.6-76.8172.4000112.1L187 A191 M196 M251 S252 G257 L258 G259 Y260L187-L255 HydrophobicContact CD1-CD1 4.02Å; L187-L255 HydrophobicContact CD1-CD2 4.1Å; L187-L255 HydrophobicContact CD1-CG 4.03Å; L187-L255 HydrophobicContact CD2-CD2 4.37Å; L187-L255 HydrophobicContact CD2-CG 4.12Å; L187-L255 HydrophobicContact CG-CD2 3.81Å; L187-L255 HydrophobicContact CG-CG 3.97Å; A191-L255 HydrophobicContact CB-CD2 3.53Å; M196-L255 HydrophobicContact CB-CD1 3.91Å; M196-L255 HydrophobicContact CE-CD1 4.32Å; M196-L255 HydrophobicContact CG-CD1 4.37Å; M251-L255 WeakPolarHBondContact O-CB 3.34Å; M251-L255 WeakPolarHBondContact O-CG 3.43Å; M251-L255 PolarHBondContact O-N 2.93Å; S252-L255 PolarHBondContact O-N 2.64Å; L255-G257 VanDerWaalsContact C-N 3.34Å; L255-G257 PolarHBondContact O-N 2.83Å; L255-L258 CarbonylContact O-C 3.38Å; L255-L258 PolarHBondContact O-N 2.7Å; L255-L258 VanDerWaalsContact O-N 3.14Å; L255-G259 PolarHBondContact O-N 3.11Å; L255-G259 VanDerWaalsContact O-N 3.17Å; L255-Y260 CarbonylContact C-O 3.45Å; L255-Y260 HydrophobicContact CD2-CD2 4.49Å; L255-Y260 HydrophobicContact CD2-CG 4.3Å; L255-Y260 WeakPolarHBondContact O-CB 3.31Å; L255-Y260 PolarHBondContact O-N 3.42Å
256V97.1Very high95.9Very high86 Ų8650.6 Ų50.652%0.52126%0.262SS..Hα-helixtrans-63.6-41.9179.3171.80000110.5S252 L258 G259 Y260 A262S252-V256 WeakPolarHBondContact O-CB 3.37Å; S252-V256 VanDerWaalsContact O-CG2 3.27Å; S252-V256 WeakPolarHBondContact O-CG2 3.38Å; S252-V256 PolarHBondContact O-N 3.38Å; V256-L258 PolarHBondContact O-N 3.4Å; V256-G259 PolarHBondContact O-N 3.44Å; V256-Y260 WeakPolarHBondContact CA-O 3.21Å; V256-A262 HydrophobicContact CG2-CB 3.97Å
257G96.5Very high95.7Very high35 Ų3547.7 Ų47.736%0.36126%0.255SS..Hα-helixtrans-58.7-3017500000113.6E253 V254 L255 V335E253-G257 PolarHBondContact O-N 2.67Å; V254-G257 PolarHBondContact O-N 3.32Å; L255-G257 VanDerWaalsContact C-N 3.34Å; L255-G257 PolarHBondContact O-N 2.83Å; G257-V335 WeakPolarHBondContact O-CG1 3.49Å
258L96.5Very high95.6Very high2 Ų249.8 Ų49.81%0.0127%0.272CS..THydrogen-bonded Turntrans-91.63.2175.5-66.5172.4000113.8V184 V188 V254 L255 V256 Y260 V335 R342 R343V184-L258 HydrophobicContact CG1-CD1 3.85Å; V188-L258 HydrophobicContact CG2-CD1 3.55Å; V254-L258 HydrophobicContact CG1-CD1 4.15Å; V254-L258 WeakPolarHBondContact O-CG 3.4Å; V254-L258 PolarHBondContact O-N 3.39Å; V254-L258 VanDerWaalsContact O-N 3.15Å; L255-L258 CarbonylContact O-C 3.38Å; L255-L258 PolarHBondContact O-N 2.7Å; L255-L258 VanDerWaalsContact O-N 3.14Å; V256-L258 PolarHBondContact O-N 3.4Å; L258-Y260 HydrophobicContact CB-CD2 3.75Å; L258-Y260 HydrophobicContact CB-CE2 3.9Å; L258-V335 HydrophobicContact CD2-CG1 4.07Å; L258-V335 HydrophobicContact CG-CG1 4.3Å; L258-R342 HydrophobicContact CD2-CG 4.11Å; L258-R342 WeakPolarHBondContact O-CA 3.4Å; L258-R343 PolarHBondContact O-N 3.36Å
259G96.4Very high95.3Very high42 Ų4252.1 Ų52.143%0.43328%0.281SS..THydrogen-bonded Turntrans85.511.7178.100000115.3L255 V256 R343L255-G259 PolarHBondContact O-N 3.11Å; L255-G259 VanDerWaalsContact O-N 3.17Å; V256-G259 PolarHBondContact O-N 3.44Å; G259-R343 WeakPolarHBondContact O-CD 3.49Å
260Y96.6Very high95Very high16 Ų1654.4 Ų54.46%0.06330%0.298CS..PPolyproline II helixtrans-90.9151.4174.9-62.9-89.1000111.2V188 A191 R192 L255 V256 L258 L341 R343V188-Y260 HydrophobicContact CG1-CE2 4.01Å; V188-Y260 WeakPolarHBondContact CG1-OH 3.45Å; V188-Y260 HydrophobicContact CG2-CE2 4.22Å; A191-Y260 HydrophobicContact CB-CD1 3.92Å; A191-Y260 HydrophobicContact CB-CG 4.2Å; R192-Y260 HydrophobicContact CG-CE1 3.8Å; R192-Y260 PolarHBondContact NE-OH 2.97Å; R192-Y260 PolarHBondContact NH2-OH 3.17Å; L255-Y260 CarbonylContact C-O 3.45Å; L255-Y260 HydrophobicContact CD2-CD2 4.49Å; L255-Y260 HydrophobicContact CD2-CG 4.3Å; L255-Y260 WeakPolarHBondContact O-CB 3.31Å; L255-Y260 PolarHBondContact O-N 3.42Å; V256-Y260 WeakPolarHBondContact CA-O 3.21Å; L258-Y260 HydrophobicContact CB-CD2 3.75Å; L258-Y260 HydrophobicContact CB-CE2 3.9Å; Y260-L341 VanDerWaalsContact CE2-O 3.25Å; Y260-L341 WeakPolarHBondContact CE2-O 3.5Å; Y260-L341 PolarHBondContact OH-O 3.12Å; Y260-R343 HydrophobicContact CD1-CB 4.27Å; Y260-R343 HydrophobicContact CD1-CG 4.35Å; Y260-R343 HydrophobicContact CD2-CB 4.35Å; Y260-R343 HydrophobicContact CE1-CB 3.99Å; Y260-R343 HydrophobicContact CE1-CG 4.12Å; Y260-R343 HydrophobicContact CE2-CB 4.09Å; Y260-R343 HydrophobicContact CG-CB 4.43Å
261P94.4Very high94.8Very high71 Ų7159.5 Ų59.546%0.46133%0.325SS..PPolyproline II helixtrans-67.9141.8175.329.2-34.4000111
262A94.6Very high94.5Very high28 Ų2859 Ų5923%0.23132%0.323CS..PPolyproline II helixtrans-65.8149.6170.500000111.6V256V256-A262 HydrophobicContact CG2-CB 3.97Å
263P93Very high94.2Very high8 Ų861.8 Ų61.85%0.05233%0.33CS..PPolyproline II helixtrans-60.6142.9168.827.2-35.6000111M196 I199 W248 S252M196-P263 WeakPolarHBondContact O-CA 3.5Å; M196-P263 WeakPolarHBondContact O-CB 3.24Å; I199-P263 HydrophobicContact CG1-CB 3.86Å; I199-P263 HydrophobicContact CG1-CG 4.26Å; W248-P263 HydrophobicContact CE3-CB 4.32Å; W248-P263 HydrophobicContact CE3-CG 4.02Å; S252-P263 WeakPolarHBondContact OG-CD 3.38Å
264R92.5Very high93.8Very high188 Ų18859.3 Ų59.371%0.70933%0.328SS*.  trans-137.1-24.8-174.1-65.8-178.9-176.9179.8-2.2114.6K197K197-R264 PolarHBondContact O-N 3.25Å
265F93.4Very high93.5Very high126 Ų12663.3 Ų63.355%0.55335%0.349SS*.EExtended strand (participates in β ladder)trans-96.6119.3-171.9-58.9-70.9000110.4K197 F198 I199K197-F265 HydrophobicContact CB-CD2 4.17Å; K197-F265 WeakPolarHBondContact O-CD2 3.28Å; K197-F265 PolarHBondContact O-N 3.1Å; K197-F265 VanDerWaalsContact O-N 3.09Å; F198-F265 CarbonylContact C-O 3.6Å; F198-F265 WeakPolarHBondContact CA-O 3.48Å; F198-F265 HydrophobicContact CD1-CB 3.83Å; F198-F265 HydrophobicContact CE1-CB 4.25Å; I199-F265 PolarHBondContact N-O 2.98Å
266H93.1Very high93Very high110 Ų11063.3 Ų63.351%0.50935%0.349SS..EExtended strand (participates in β ladder)trans-81.9133.7177.9-66.473.7000110.3I199 G201I199-H266 CarbonylContact O-C 3.49Å; I199-H266 WeakPolarHBondContact O-CA 3.2Å; G201-H266 PolarHBondContact O-CD2 3.37Å
267L92.9Very high92.6Very high56 Ų5663.1 Ų63.129%0.29335%0.345SS..EExtended strand (participates in β ladder)trans-116.7129.2172.2-66.5178.9000109.2F198 I199 G201 Y269 V272F198-L267 HydrophobicContact CB-CD1 3.77Å; F198-L267 HydrophobicContact CB-CG 4.17Å; F198-L267 HydrophobicContact CD1-CD1 3.59Å; F198-L267 HydrophobicContact CD1-CD2 4.18Å; F198-L267 HydrophobicContact CD1-CG 3.79Å; F198-L267 HydrophobicContact CD2-CD1 4.45Å; F198-L267 HydrophobicContact CE1-CD1 4.29Å; F198-L267 HydrophobicContact CG-CD1 3.68Å; F198-L267 HydrophobicContact CG-CG 4.23Å; I199-L267 PolarHBondContact O-N 3Å; G201-L267 PolarHBondContact N-O 2.98Å; L267-Y269 PolarHBondContact O-N 2.8Å; L267-V272 HydrophobicContact CB-CG2 3.49Å; L267-V272 VanDerWaalsContact CB-CG2 3.49Å; L267-V272 HydrophobicContact CD1-CG2 4.11Å; L267-V272 HydrophobicContact CG-CG2 4.45Å
268P93.4Very high92.3Very high75 Ų7565.8 Ų65.849%0.48735%0.35SS..  trans-55.9129.6178.6-25.133.6000111.8T270 L271 V272P268-T270 VanDerWaalsContact C-N 3.29Å; P268-T270 PolarHBondContact O-N 3.06Å; P268-L271 HydrophobicContact CB-CB 4.2Å; P268-L271 WeakPolarHBondContact O-CB 3.42Å; P268-L271 PolarHBondContact O-N 3.44Å; P268-L271 VanDerWaalsContact O-N 3.12Å; P268-V272 WeakPolarHBondContact O-CG2 3.45Å; P268-V272 PolarHBondContact O-N 2.71Å; P268-V272 VanDerWaalsContact O-N 3.13Å
269Y91Very high91.8Very high63 Ų6368.6 Ų68.625%0.24737%0.365CS..Hα-helixtrans-53.8-45.5-177177.7-91.3000112.2I200 L267 L271 V272 Y273 V301I200-Y269 HydrophobicContact CG2-CD2 3.83Å; L267-Y269 PolarHBondContact O-N 2.8Å; Y269-L271 VanDerWaalsContact C-N 3.31Å; Y269-L271 PolarHBondContact O-N 3.09Å; Y269-V272 PolarHBondContact O-N 2.79Å; Y269-Y273 HydrophobicContact CE1-CD2 4.09Å; Y269-Y273 HydrophobicContact CE1-CG 4.13Å; Y269-Y273 AromaticContact CZ-CD2 3.8Å; Y269-Y273 VanDerWaalsContact O-CB 3.22Å; Y269-Y273 WeakPolarHBondContact O-CB 3.4Å; Y269-Y273 PolarHBondContact O-N 3.43Å; Y269-Y273 WeakPolarHBondContact OH-CD2 3.48Å; Y269-V301 HydrophobicContact CD2-CG1 4.25Å; Y269-V301 HydrophobicContact CE2-CG1 3.88Å
270T91.3Very high91.3Very high112 Ų11270.6 Ų70.669%0.68737%0.365SS*.Hα-helixtrans-60.9-38.4-17950.60000112.8P268 G274P268-T270 VanDerWaalsContact C-N 3.29Å; P268-T270 PolarHBondContact O-N 3.06Å; T270-G274 PolarHBondContact O-N 2.96Å
271L92.4Very high90.8Very high107 Ų10774.1 Ų74.156%0.5638%0.384SS*.Hα-helixtrans-67.3-48.1177.1179.1141.9000110.9P268 Y269 Y273 G274 L275P268-L271 HydrophobicContact CB-CB 4.2Å; P268-L271 WeakPolarHBondContact O-CB 3.42Å; P268-L271 PolarHBondContact O-N 3.44Å; P268-L271 VanDerWaalsContact O-N 3.12Å; Y269-L271 VanDerWaalsContact C-N 3.31Å; Y269-L271 PolarHBondContact O-N 3.09Å; L271-Y273 PolarHBondContact O-N 2.72Å; L271-G274 PolarHBondContact O-N 3.32Å; L271-L275 WeakPolarHBondContact O-CB 3.29Å; L271-L275 PolarHBondContact O-N 3.27Å
272V90.9Very high90.4Very high5 Ų574.4 Ų74.43%0.0338%0.382CS..Hα-helixtrans-63.6-42.9179.6177.40000110.6I200 L267 P268 Y269 L275 A276 F296 V301I200-V272 HydrophobicContact CD1-CG1 3.93Å; I200-V272 HydrophobicContact CG1-CG1 4.02Å; I200-V272 HydrophobicContact CG2-CB 4.34Å; I200-V272 HydrophobicContact CG2-CG1 4.07Å; L267-V272 HydrophobicContact CB-CG2 3.49Å; L267-V272 VanDerWaalsContact CB-CG2 3.49Å; L267-V272 HydrophobicContact CD1-CG2 4.11Å; L267-V272 HydrophobicContact CG-CG2 4.45Å; P268-V272 WeakPolarHBondContact O-CG2 3.45Å; P268-V272 PolarHBondContact O-N 2.71Å; P268-V272 VanDerWaalsContact O-N 3.13Å; Y269-V272 PolarHBondContact O-N 2.79Å; V272-L275 PolarHBondContact O-N 2.92Å; V272-A276 PolarHBondContact O-N 3.14Å; V272-F296 HydrophobicContact CG1-CE2 3.92Å; V272-F296 HydrophobicContact CG1-CZ 3.44Å; V272-F296 VanDerWaalsContact CG1-CZ 3.44Å; V272-F296 WeakPolarHBondContact O-CE1 3.32Å; V272-V301 HydrophobicContact CB-CG1 4.25Å; V272-V301 HydrophobicContact CG1-CB 4.36Å; V272-V301 HydrophobicContact CG1-CG1 3.65Å; V272-V301 HydrophobicContact CG1-CG2 3.74Å
273Y89.4Confident89.9Confident80 Ų8074.6 Ų74.631%0.31438%0.38SS..Hα-helixtrans-68.5-42.8178.6-165.7-94.7000112Y269 L271 L275 A276 L277 P298 V301Y269-Y273 HydrophobicContact CE1-CD2 4.09Å; Y269-Y273 HydrophobicContact CE1-CG 4.13Å; Y269-Y273 AromaticContact CZ-CD2 3.8Å; Y269-Y273 VanDerWaalsContact O-CB 3.22Å; Y269-Y273 WeakPolarHBondContact O-CB 3.4Å; Y269-Y273 PolarHBondContact O-N 3.43Å; Y269-Y273 WeakPolarHBondContact OH-CD2 3.48Å; L271-Y273 PolarHBondContact O-N 2.72Å; Y273-L275 VanDerWaalsContact C-N 3.34Å; Y273-L275 PolarHBondContact O-N 3.45Å; Y273-A276 WeakPolarHBondContact O-CB 3.47Å; Y273-A276 PolarHBondContact O-N 3.1Å; Y273-A276 VanDerWaalsContact O-N 3.16Å; Y273-L277 HydrophobicContact CD1-CD1 3.83Å; Y273-L277 HydrophobicContact CD1-CG 4.21Å; Y273-L277 HydrophobicContact CE1-CD1 3.67Å; Y273-L277 HydrophobicContact CE1-CD2 4.4Å; Y273-L277 HydrophobicContact CE1-CG 4.03Å; Y273-L277 PolarHBondContact O-N 2.87Å; Y273-P298 HydrophobicContact CD2-CB 4.37Å; Y273-P298 HydrophobicContact CE2-CB 3.73Å; Y273-V301 HydrophobicContact CD2-CB 4.23Å; Y273-V301 HydrophobicContact CD2-CG1 3.96Å
274G90.2Very high89.4Confident35 Ų3582.6 Ų82.636%0.36141%0.409SS..Hα-helixtrans-60.3-42.1174.200000112.5T270 L271 A276 L277 L278T270-G274 PolarHBondContact O-N 2.96Å; L271-G274 PolarHBondContact O-N 3.32Å; G274-A276 VanDerWaalsContact C-N 3.32Å; G274-A276 PolarHBondContact O-N 3.34Å; G274-L277 PolarHBondContact O-N 3.13Å; G274-L278 WeakPolarHBondContact O-CB 3.3Å; G274-L278 PolarHBondContact O-N 3.37Å
275L89.9Confident89.1Confident85 Ų8578.1 Ų78.145%0.44540%0.398SS..Hα-helixtrans-62.6-39.4174.2-178.162.4000111.8L271 V272 Y273 L278 L279 F296L271-L275 WeakPolarHBondContact O-CB 3.29Å; L271-L275 PolarHBondContact O-N 3.27Å; V272-L275 PolarHBondContact O-N 2.92Å; Y273-L275 VanDerWaalsContact C-N 3.34Å; Y273-L275 PolarHBondContact O-N 3.45Å; L275-L278 PolarHBondContact O-N 3.41Å; L275-L279 HydrophobicContact CG-CD1 4.23Å; L275-L279 WeakPolarHBondContact O-CB 3.45Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 2.96Å; L275-F296 HydrophobicContact CB-CE1 4.33Å; L275-F296 HydrophobicContact CD2-CE1 4.3Å; L275-F296 HydrophobicContact CG-CE1 4.22Å
276A88.4Confident88.7Confident0 Ų076.3 Ų76.30%039%0.394CS..Hα-helixtrans-66-39.3177.500000112.1V272 Y273 G274 L280 F296 P298 V301V272-A276 PolarHBondContact O-N 3.14Å; Y273-A276 WeakPolarHBondContact O-CB 3.47Å; Y273-A276 PolarHBondContact O-N 3.1Å; Y273-A276 VanDerWaalsContact O-N 3.16Å; G274-A276 VanDerWaalsContact C-N 3.32Å; G274-A276 PolarHBondContact O-N 3.34Å; A276-L280 WeakPolarHBondContact O-CB 3.36Å; A276-L280 PolarHBondContact O-N 3.47Å; A276-F296 HydrophobicContact CB-CD1 3.83Å; A276-F296 HydrophobicContact CB-CE1 3.58Å; A276-F296 HydrophobicContact CB-CZ 4.43Å; A276-P298 HydrophobicContact CB-CB 4.41Å; A276-P298 HydrophobicContact CB-CG 3.92Å; A276-V301 HydrophobicContact CB-CG2 4.01Å
277L88.3Confident88.2Confident82 Ų8280 Ų8043%0.42940%0.404SS..Hα-helixtrans-65.4-42.5173.9-72.9174.1000111.9Y273 G274 L280 L281 P298Y273-L277 HydrophobicContact CD1-CD1 3.83Å; Y273-L277 HydrophobicContact CD1-CG 4.21Å; Y273-L277 HydrophobicContact CE1-CD1 3.67Å; Y273-L277 HydrophobicContact CE1-CD2 4.4Å; Y273-L277 HydrophobicContact CE1-CG 4.03Å; Y273-L277 PolarHBondContact O-N 2.87Å; G274-L277 PolarHBondContact O-N 3.13Å; L277-L280 PolarHBondContact O-N 2.74Å; L277-L281 WeakPolarHBondContact O-CB 3.06Å; L277-L281 PolarHBondContact O-N 3.27Å; L277-P298 HydrophobicContact CD2-CB 4.32Å; L277-P298 HydrophobicContact CD2-CG 3.77Å; L277-P298 HydrophobicContact CG-CG 4.19Å
278L89.1Confident87.6Confident90 Ų9082.8 Ų82.847%0.47143%0.425SS..Hα-helixtrans-61-46176.2178.963.6000111.2G274 L275 L280 L281 L282G274-L278 WeakPolarHBondContact O-CB 3.3Å; G274-L278 PolarHBondContact O-N 3.37Å; L275-L278 PolarHBondContact O-N 3.41Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 2.76Å; L278-L281 WeakPolarHBondContact O-CB 3.49Å; L278-L281 PolarHBondContact O-N 2.93Å; L278-L282 HydrophobicContact CD1-CD1 4.47Å; L278-L282 HydrophobicContact CD1-CG 4.44Å; L278-L282 HydrophobicContact CG-CD1 4.17Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.31Å
279L87.1Confident87Confident61 Ų6185 Ų8532%0.31944%0.437SS..Hα-helixtrans-60.9-42.3175.8-77.1167.3000111.6L275 L281 L282 T283 F296L275-L279 HydrophobicContact CG-CD1 4.23Å; L275-L279 WeakPolarHBondContact O-CB 3.45Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 2.96Å; L279-L281 PolarHBondContact O-N 3.4Å; L279-L282 PolarHBondContact O-N 3.31Å; L279-T283 WeakPolarHBondContact O-CG2 3.46Å; L279-T283 PolarHBondContact O-N 3.48Å; L279-T283 PolarHBondContact O-OG1 3.28Å; L279-F296 HydrophobicContact CD1-CD1 3.71Å; L279-F296 HydrophobicContact CD1-CE1 4.4Å
280L85.6Confident86.2Confident84 Ų8488.1 Ų88.144%0.4446%0.455SS..Hα-helixtrans-61.1-45.6176.2-173.964.1000111.4A276 L277 L278 L282 T283 W284 P298A276-L280 WeakPolarHBondContact O-CB 3.36Å; A276-L280 PolarHBondContact O-N 3.47Å; L277-L280 PolarHBondContact O-N 2.74Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 2.76Å; L280-L282 PolarHBondContact O-N 2.86Å; L280-T283 WeakPolarHBondContact CA-OG1 3.34Å; L280-T283 PolarHBondContact O-N 2.81Å; L280-T283 PolarHBondContact O-OG1 3.12Å; L280-W284 PolarHBondContact O-N 2.92Å; L280-P298 HydrophobicContact CD2-CG 4.35Å
281L86.3Confident84.9Confident90 Ų9088.8 Ų88.847%0.47146%0.464SS..Hα-helixtrans-59.4-47175.8179.265.2000111.6L277 L278 L279 T283 W284 I285L277-L281 WeakPolarHBondContact O-CB 3.06Å; L277-L281 PolarHBondContact O-N 3.27Å; L278-L281 WeakPolarHBondContact O-CB 3.49Å; L278-L281 PolarHBondContact O-N 2.93Å; L279-L281 PolarHBondContact O-N 3.4Å; L281-T283 PolarHBondContact O-N 3.36Å; L281-W284 HydrophobicContact CD1-CE3 4.45Å; L281-W284 WeakPolarHBondContact O-CB 3.39Å; L281-W284 PolarHBondContact O-N 3.02Å; L281-W284 VanDerWaalsContact O-N 3.17Å; L281-I285 HydrophobicContact CD1-CD1 4.13Å; L281-I285 HydrophobicContact CD1-CG1 4.45Å; L281-I285 HydrophobicContact CG-CD1 3.93Å; L281-I285 WeakPolarHBondContact O-CG1 3.46Å; L281-I285 PolarHBondContact O-N 2.89Å
282L85.7Confident83.7Confident77 Ų7790.8 Ų90.840%0.40347%0.469SS..Hα-helixtrans-61.3-43.4177.6-71.1172.4000111.7L278 L279 L280 W284 I285 L286L278-L282 HydrophobicContact CD1-CD1 4.47Å; L278-L282 HydrophobicContact CD1-CG 4.44Å; L278-L282 HydrophobicContact CG-CD1 4.17Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.31Å; L279-L282 PolarHBondContact O-N 3.31Å; L280-L282 PolarHBondContact O-N 2.86Å; L282-W284 VanDerWaalsContact C-N 3.27Å; L282-W284 PolarHBondContact O-N 3.38Å; L282-I285 PolarHBondContact O-N 3.35Å; L282-L286 VanDerWaalsContact O-CB 3.32Å; L282-L286 WeakPolarHBondContact O-CB 3.32Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 3.36Å; L282-L286 PolarHBondContact O-N 3.13Å
283T84.1Confident82.5Confident32 Ų3297.3 Ų97.320%0.19650%0.497CS..Hα-helixtrans-63.8-34.217657.50000112.5L279 L280 L281 R287 F292 P294L279-T283 WeakPolarHBondContact O-CG2 3.46Å; L279-T283 PolarHBondContact O-N 3.48Å; L279-T283 PolarHBondContact O-OG1 3.28Å; L280-T283 WeakPolarHBondContact CA-OG1 3.34Å; L280-T283 PolarHBondContact O-N 2.81Å; L280-T283 PolarHBondContact O-OG1 3.12Å; L281-T283 PolarHBondContact O-N 3.36Å; T283-R287 WeakPolarHBondContact O-CB 3.29Å; T283-R287 PolarHBondContact O-N 3.42Å; T283-R287 VanDerWaalsContact O-N 3.07Å; T283-F292 HydrophobicContact CG2-CD1 4.37Å; T283-P294 HydrophobicContact CG2-CB 4.27Å; T283-P294 HydrophobicContact CG2-CG 4.01Å
284W82.9Confident81.4Confident176 Ų17695.3 Ų95.367%0.66749%0.493SS*.Hα-helixtrans-68.4-44.3175.5-177.581000111.9L280 L281 L282 R287L280-W284 PolarHBondContact O-N 2.92Å; L281-W284 HydrophobicContact CD1-CE3 4.45Å; L281-W284 WeakPolarHBondContact O-CB 3.39Å; L281-W284 PolarHBondContact O-N 3.02Å; L281-W284 VanDerWaalsContact O-N 3.17Å; L282-W284 VanDerWaalsContact C-N 3.27Å; L282-W284 PolarHBondContact O-N 3.38Å; W284-R287 WeakPolarHBondContact O-CB 3.27Å; W284-R287 PolarHBondContact O-N 3.38Å
285I86.2Confident80.4Confident94 Ų9497.5 Ų97.548%0.48250%0.5SS..Hα-helixtrans-64.7-41.8177.4-66.9168.6000111.6L281 L282 P288L281-I285 HydrophobicContact CD1-CD1 4.13Å; L281-I285 HydrophobicContact CD1-CG1 4.45Å; L281-I285 HydrophobicContact CG-CD1 3.93Å; L281-I285 WeakPolarHBondContact O-CG1 3.46Å; L281-I285 PolarHBondContact O-N 2.89Å; L282-I285 PolarHBondContact O-N 3.35Å; I285-P288 VanDerWaalsContact O-CD 3.29Å; I285-P288 WeakPolarHBondContact O-CD 3.32Å
286L85.1Confident79.9Confident88 Ų8896.6 Ų96.646%0.46149%0.493SS..Hα-helixtrans-83.4-10.5-176-66.2173.2000113.7L282 P288 V289 M290L282-L286 VanDerWaalsContact O-CB 3.32Å; L282-L286 WeakPolarHBondContact O-CB 3.32Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 3.36Å; L282-L286 PolarHBondContact O-N 3.13Å; L286-P288 VanDerWaalsContact C-N 3.33Å; L286-P288 VanDerWaalsContact O-N 3.14Å; L286-V289 PolarHBondContact O-N 3.32Å; L286-M290 CarbonylContact C-O 3.58Å; L286-M290 PolarHBondContact O-N 2.75Å; L286-M290 VanDerWaalsContact O-O 3.1Å
287R82.8Confident79.6Confident188 Ų18898.3 Ų98.371%0.70950%0.503SS*.THydrogen-bonded Turntrans-46-39.7180-168.3176177179-0.3116T283 W284 V289T283-R287 WeakPolarHBondContact O-CB 3.29Å; T283-R287 PolarHBondContact O-N 3.42Å; T283-R287 VanDerWaalsContact O-N 3.07Å; W284-R287 WeakPolarHBondContact O-CB 3.27Å; W284-R287 PolarHBondContact O-N 3.38Å; R287-V289 VanDerWaalsContact C-N 3.28Å; R287-V289 PolarHBondContact O-N 3.26Å
288P80.7Confident79.3Confident115 Ų11595.1 Ų95.175%0.74749%0.487SS*.THydrogen-bonded Turntrans-72.6-17.8178.826.4-32.7000113.9I285 L286I285-P288 VanDerWaalsContact O-CD 3.29Å; I285-P288 WeakPolarHBondContact O-CD 3.32Å; L286-P288 VanDerWaalsContact C-N 3.33Å; L286-P288 VanDerWaalsContact O-N 3.14Å
289V80.3Confident78.9Confident120 Ų12092.9 Ų92.973%0.72748%0.475SS*.THydrogen-bonded Turntrans-108.6-36.1-175.9-172.40000111.5L286 R287L286-V289 PolarHBondContact O-N 3.32Å; R287-V289 VanDerWaalsContact C-N 3.28Å; R287-V289 PolarHBondContact O-N 3.26Å
290M73.4Confident78.7Confident130 Ų13095.6 Ų95.664%0.6448%0.481SS*.  trans-145.9136-177.7-65179.870.600110.9L286L286-M290 CarbonylContact C-O 3.58Å; L286-M290 PolarHBondContact O-N 2.75Å; L286-M290 VanDerWaalsContact O-O 3.1Å
291S63.5Low78.8Confident125 Ų12591.7 Ų91.787%0.87446%0.46SS*.  trans-98.4100.1170.6550000110
292F67.9Low78.8Confident150 Ų15087.6 Ų87.666%0.65844%0.44SS*.  trans-111.3135.8170.6-176.6-99.7000110.2T283 P294T283-F292 HydrophobicContact CG2-CD1 4.37Å; F292-P294 WeakPolarHBondContact O-CD 3.45Å
293K64.8Low78.9Confident142 Ų14286.3 Ų86.362%0.61743%0.433SS*.  trans-96.6108.9177-69.5-172.4174.4-165.90109.8D84 T295D84-K293 WeakPolarHBondContact OD2-CD 3.47Å; D84-K293 WeakPolarHBondContact OD2-CE 3.49Å; D84-K293 IonicContact OD2-NZ 3.11Å; D84-K293 PolarHBondContact OD2-NZ 2.86Å; K293-T295 PolarHBondContact O-N 3.07Å; K293-T295 VanDerWaalsContact O-N 3.13Å
294P67.3Low79.2Confident37 Ų3785.2 Ų85.224%0.2443%0.427CS..  trans-69.5114.5178.527.8-30.2000109.2T283 F292 F296 T297T283-P294 HydrophobicContact CG2-CB 4.27Å; T283-P294 HydrophobicContact CG2-CG 4.01Å; F292-P294 WeakPolarHBondContact O-CD 3.45Å; P294-F296 PolarHBondContact O-N 3.5Å; P294-T297 HydrophobicContact CG-CG2 4.35Å; P294-T297 WeakPolarHBondContact O-CG2 3.46Å
295T69.6Low79.4Confident82 Ų8277.7 Ų77.750%0.50340%0.404SS..SBendtrans-72.6-10.5171.151.10000112.7K293 R300K293-T295 PolarHBondContact O-N 3.07Å; K293-T295 VanDerWaalsContact O-N 3.13Å; T295-R300 VanDerWaalsContact O-CD 3.29Å; T295-R300 WeakPolarHBondContact O-CD 3.36Å; T295-R300 PolarHBondContact O-NH1 3.17Å
296F79.5Confident79.7Confident66 Ų6673.7 Ų73.729%0.28938%0.384SS..SBendtrans-116.5102.3180-174.9-99.6000108.2V272 L275 A276 L279 P294 V301V272-F296 HydrophobicContact CG1-CE2 3.92Å; V272-F296 HydrophobicContact CG1-CZ 3.44Å; V272-F296 VanDerWaalsContact CG1-CZ 3.44Å; V272-F296 WeakPolarHBondContact O-CE1 3.32Å; L275-F296 HydrophobicContact CB-CE1 4.33Å; L275-F296 HydrophobicContact CD2-CE1 4.3Å; L275-F296 HydrophobicContact CG-CE1 4.22Å; A276-F296 HydrophobicContact CB-CD1 3.83Å; A276-F296 HydrophobicContact CB-CE1 3.58Å; A276-F296 HydrophobicContact CB-CZ 4.43Å; L279-F296 HydrophobicContact CD1-CD1 3.71Å; L279-F296 HydrophobicContact CD1-CE1 4.4Å; P294-F296 PolarHBondContact O-N 3.5Å; F296-V301 HydrophobicContact CD2-CG2 4.47Å; F296-V301 HydrophobicContact CE1-CG2 4.23Å; F296-V301 HydrophobicContact CE2-CG2 3.84Å; F296-V301 HydrophobicContact CZ-CG2 3.73Å
297T81.7Confident80.3Confident35 Ų3571.8 Ų71.822%0.21537%0.371CS..  trans-120.1154-175.363.60000110.4P294 M299 R300 V301P294-T297 HydrophobicContact CG-CG2 4.35Å; P294-T297 WeakPolarHBondContact O-CG2 3.46Å; T297-M299 PolarHBondContact O-N 2.91Å; T297-M299 VanDerWaalsContact O-N 3.1Å; T297-R300 PolarHBondContact O-N 2.67Å; T297-R300 PolarHBondContact OG1-N 3.05Å; T297-V301 PolarHBondContact O-N 3.41Å; T297-V301 VanDerWaalsContact O-N 3.15Å
298P82Confident80.9Confident16 Ų1663.1 Ų63.110%0.10434%0.339CS..Hα-helixtrans-52.7-34.2175.4-27.134.2000112.6Y273 A276 L277 L280 V301 A302Y273-P298 HydrophobicContact CD2-CB 4.37Å; Y273-P298 HydrophobicContact CE2-CB 3.73Å; A276-P298 HydrophobicContact CB-CB 4.41Å; A276-P298 HydrophobicContact CB-CG 3.92Å; L277-P298 HydrophobicContact CD2-CB 4.32Å; L277-P298 HydrophobicContact CD2-CG 3.77Å; L277-P298 HydrophobicContact CG-CG 4.19Å; L280-P298 HydrophobicContact CD2-CG 4.35Å; P298-V301 PolarHBondContact O-N 2.89Å; P298-A302 WeakPolarHBondContact O-CB 3.34Å; P298-A302 PolarHBondContact O-N 3Å
299M80.5Confident81.7Confident43 Ų4359.9 Ų59.921%0.21231%0.312CS..Hα-helixtrans-62.6-46.2175.2178-128.25800113I141 D142 T297 V301 A302 L303I141-M299 HydrophobicContact CB-CG 4.11Å; I141-M299 HydrophobicContact CD1-CG 3.88Å; I141-M299 HydrophobicContact CG1-CG 4.24Å; D142-M299 HydrophobicContact CB-SD 4.16Å; T297-M299 PolarHBondContact O-N 2.91Å; T297-M299 VanDerWaalsContact O-N 3.1Å; M299-V301 VanDerWaalsContact C-N 3.25Å; M299-V301 PolarHBondContact O-N 3.09Å; M299-A302 PolarHBondContact O-N 3.09Å; M299-L303 HydrophobicContact CE-CD1 3.97Å; M299-L303 HydrophobicContact CG-CD1 4.27Å; M299-L303 WeakPolarHBondContact O-CG 3.47Å; M299-L303 PolarHBondContact O-N 3.46Å; M299-L303 HydrophobicContact SD-CD1 4.13Å
300R83.3Confident82.5Confident118 Ų11854.5 Ų54.545%0.44528%0.279SS..Hα-helixtrans-65.2-35.3177.8-71.5-170.1178.5-178.3-7.7111.2T295 T297 A304T295-R300 VanDerWaalsContact O-CD 3.29Å; T295-R300 WeakPolarHBondContact O-CD 3.36Å; T295-R300 PolarHBondContact O-NH1 3.17Å; T297-R300 PolarHBondContact O-N 2.67Å; T297-R300 PolarHBondContact OG1-N 3.05Å; R300-A304 WeakPolarHBondContact O-CB 3.47Å; R300-A304 PolarHBondContact O-N 2.98Å; R300-A304 VanDerWaalsContact O-N 3.1Å
301V86.7Confident83.7Confident1 Ų148.6 Ų48.61%0.00625%0.251CS..Hα-helixtrans-66.1-45.3175.4179.10000110.7I200 Y269 V272 Y273 A276 F296 T297 P298 M299 A304 G305I200-V301 HydrophobicContact CG2-CG1 4.06Å; Y269-V301 HydrophobicContact CD2-CG1 4.25Å; Y269-V301 HydrophobicContact CE2-CG1 3.88Å; V272-V301 HydrophobicContact CB-CG1 4.25Å; V272-V301 HydrophobicContact CG1-CB 4.36Å; V272-V301 HydrophobicContact CG1-CG1 3.65Å; V272-V301 HydrophobicContact CG1-CG2 3.74Å; Y273-V301 HydrophobicContact CD2-CB 4.23Å; Y273-V301 HydrophobicContact CD2-CG1 3.96Å; A276-V301 HydrophobicContact CB-CG2 4.01Å; F296-V301 HydrophobicContact CD2-CG2 4.47Å; F296-V301 HydrophobicContact CE1-CG2 4.23Å; F296-V301 HydrophobicContact CE2-CG2 3.84Å; F296-V301 HydrophobicContact CZ-CG2 3.73Å; T297-V301 PolarHBondContact O-N 3.41Å; T297-V301 VanDerWaalsContact O-N 3.15Å; P298-V301 PolarHBondContact O-N 2.89Å; M299-V301 VanDerWaalsContact C-N 3.25Å; M299-V301 PolarHBondContact O-N 3.09Å; V301-A304 PolarHBondContact O-N 3.41Å; V301-G305 PolarHBondContact O-N 2.95Å
302A87.1Confident85.3Confident5 Ų542.7 Ų42.74%0.04121%0.209CC..Hα-helixtrans-60.1-50.8175.700000111.2P298 M299 A304 G305 T306P298-A302 WeakPolarHBondContact O-CB 3.34Å; P298-A302 PolarHBondContact O-N 3Å; M299-A302 PolarHBondContact O-N 3.09Å; A302-A304 PolarHBondContact O-N 3.03Å; A302-A304 VanDerWaalsContact O-N 3.15Å; A302-G305 PolarHBondContact O-N 3.12Å; A302-T306 HydrophobicContact CB-CG2 4.46Å; A302-T306 WeakPolarHBondContact O-CG2 3.47Å; A302-T306 PolarHBondContact O-N 2.8Å; A302-T306 PolarHBondContact O-OG1 3.12Å
303L87.3Confident86.7Confident50 Ų5039.5 Ų39.526%0.26220%0.196SC..Hα-helixtrans-56.1-34176.8-76.1169.6000113.4F122 I141 M299 H308F122-L303 HydrophobicContact CD1-CD2 4.2Å; F122-L303 HydrophobicContact CE1-CD2 3.54Å; F122-L303 HydrophobicContact CE1-CG 4.28Å; F122-L303 HydrophobicContact CZ-CD2 4.26Å; I141-L303 HydrophobicContact CD1-CD2 4.34Å; I141-L303 HydrophobicContact CD1-CG 4.46Å; M299-L303 HydrophobicContact CE-CD1 3.97Å; M299-L303 HydrophobicContact CG-CD1 4.27Å; M299-L303 WeakPolarHBondContact O-CG 3.47Å; M299-L303 PolarHBondContact O-N 3.46Å; M299-L303 HydrophobicContact SD-CD1 4.13Å; L303-H308 PolarHBondContact O-NE2 3.14Å
304A89.9Confident88.2Confident9 Ų935.6 Ų35.67%0.07418%0.18CC..Hα-helixtrans-87.7-12.9179.800000114.1I200 N205 F247 W248 R300 V301 A302I200-A304 HydrophobicContact CD1-CB 3.89Å; N205-A304 PolarHBondContact ND2-O 2.98Å; F247-A304 HydrophobicContact CD1-CB 4.34Å; F247-A304 HydrophobicContact CE1-CB 3.82Å; F247-A304 HydrophobicContact CZ-CB 4.01Å; W248-A304 HydrophobicContact CZ2-CB 3.96Å; W248-A304 PolarHBondContact NE1-O 3.46Å; W248-A304 VanDerWaalsContact NE1-O 3.14Å; R300-A304 WeakPolarHBondContact O-CB 3.47Å; R300-A304 PolarHBondContact O-N 2.98Å; R300-A304 VanDerWaalsContact O-N 3.1Å; V301-A304 PolarHBondContact O-N 3.41Å; A302-A304 PolarHBondContact O-N 3.03Å; A302-A304 VanDerWaalsContact O-N 3.15Å
305G88.9Confident89.7Confident18 Ų1833.9 Ų33.919%0.18617%0.169CC..Hα-helixtrans-124.6-8.4-171.100000115.9V301 A302V301-G305 PolarHBondContact O-N 2.95Å; A302-G305 PolarHBondContact O-N 3.12Å
306T92.2Very high91Very high10 Ų1032.2 Ų32.26%0.06116%0.155CC..SBendtrans-106.3161.317666.60000111.8F122 D126 N205 A302 H308F122-T306 WeakPolarHBondContact CZ-OG1 3.42Å; D126-T306 WeakPolarHBondContact OD1-CA 3.41Å; D126-T306 VanDerWaalsContact OD1-CB 3.27Å; D126-T306 WeakPolarHBondContact OD1-CB 2.96Å; N205-T306 WeakPolarHBondContact CB-O 3.29Å; N205-T306 PolarHBondContact ND2-O 3.38Å; A302-T306 HydrophobicContact CB-CG2 4.46Å; A302-T306 WeakPolarHBondContact O-CG2 3.47Å; A302-T306 PolarHBondContact O-N 2.8Å; A302-T306 PolarHBondContact O-OG1 3.12Å; T306-H308 PolarHBondContact O-CD2 3.5Å
307Y96.4Very high91.8Very high47 Ų4735.4 Ų35.418%0.18417%0.171CC..  trans-79.7135.6172.5-64.8-109000109.3D126 V127 K128 T204 N205 L206 Y309D126-Y307 CarbonylContact C-O 3.6Å; D126-Y307 WeakPolarHBondContact CA-O 3.5Å; D126-Y307 WeakPolarHBondContact OD1-CD2 3.06Å; D126-Y307 PolarHBondContact OD1-N 3.04Å; D126-Y307 VanDerWaalsContact OD2-CD2 3.23Å; D126-Y307 WeakPolarHBondContact OD2-CD2 3.4Å; V127-Y307 PolarHBondContact N-O 3.21Å; V127-Y307 CarbonylContact O-C 3.55Å; K128-Y307 HydrophobicContact CD-CD1 4.34Å; K128-Y307 HydrophobicContact CD-CG 4.33Å; K128-Y307 HydrophobicContact CG-CD1 4.39Å; K128-Y307 HydrophobicContact CG-CG 4.23Å; T204-Y307 WeakPolarHBondContact O-CE1 3.28Å; T204-Y307 PolarHBondContact O-OH 3.47Å; T204-Y307 PolarHBondContact OG1-OH 3.45Å; N205-Y307 HydrophobicContact CB-CD2 4.18Å; N205-Y307 HydrophobicContact CB-CE2 4.24Å; N205-Y307 HydrophobicContact CB-CG 4.38Å; L206-Y307 HydrophobicContact CB-CD1 4.06Å; L206-Y307 HydrophobicContact CB-CE1 4.46Å; L206-Y307 HydrophobicContact CG-CE1 4.49Å; L206-Y307 VanDerWaalsContact N-CD1 3.31Å; L206-Y307 WeakPolarHBondContact O-CA 3.47Å; Y307-Y309 HydrophobicContact CD1-CE1 4.42Å
308H96Very high92.6Very high6 Ų636.6 Ų36.63%0.02817%0.173CC..EExtended strand (participates in β ladder)trans-155.377.4174.446.172.7000110.5F122 V127 H173 L206 V207 D208 L303 T306 Y310F122-H308 HydrophobicContact CD2-CB 4.01Å; F122-H308 HydrophobicContact CE2-CB 3.78Å; F122-H308 AromaticContact CE2-CD2 3.99Å; F122-H308 HydrophobicContact CZ-CB 4.44Å; F122-H308 AromaticContact CZ-CD2 3.83Å; V127-H308 VanDerWaalsContact O-CA 3.25Å; V127-H308 WeakPolarHBondContact O-CA 3.4Å; V127-H308 PolarHBondContact O-N 3.45Å; H173-H308 AromaticContact CD2-ND1 3.83Å; H173-H308 PolarHBondContact CD2-O 2.75Å; H173-H308 AromaticContact CE1-ND1 3.64Å; H173-H308 AromaticContact NE2-CE1 3.48Å; H173-H308 PolarHBondContact NE2-CE1 2.94Å; H173-H308 AromaticContact NE2-CG 3.81Å; H173-H308 AromaticContact NE2-ND1 2.81Å; H173-H308 PolarHBondContact NE2-ND1 3.34Å; H173-H308 PolarHBondContact NE2-O 3.03Å; L206-H308 PolarHBondContact O-N 3.48Å; V207-H308 VanDerWaalsContact CB-CE1 3.4Å; V207-H308 WeakPolarHBondContact CB-CE1 3.24Å; V207-H308 WeakPolarHBondContact CB-ND1 3.44Å; V207-H308 WeakPolarHBondContact CG1-CE1 3.41Å; V207-H308 WeakPolarHBondContact CG1-ND1 3.4Å; V207-H308 WeakPolarHBondContact CG1-NE2 3.27Å; D208-H308 PolarHBondContact N-O 3.12Å; L303-H308 PolarHBondContact O-NE2 3.14Å; T306-H308 PolarHBondContact O-CD2 3.5Å; H308-Y310 HydrophobicContact CB-CE2 4.4Å
309Y97.5Very high93.2Very high48 Ų4835.9 Ų35.919%0.18817%0.169CC..EExtended strand (participates in β ladder)trans-125148.2173.870.6-81000110.9V127 K128 N129 G130 L206 D208 P244 Y307V127-Y309 PolarHBondContact O-N 2.97Å; V127-Y309 VanDerWaalsContact O-N 3.12Å; K128-Y309 VanDerWaalsContact CA-CE1 3.45Å; K128-Y309 HydrophobicContact CB-CE1 3.69Å; K128-Y309 HydrophobicContact CG-CE1 3.86Å; N129-Y309 WeakPolarHBondContact CA-O 3.48Å; N129-Y309 HydrophobicContact CB-CD2 4.37Å; N129-Y309 HydrophobicContact CB-CE2 3.67Å; N129-Y309 VanDerWaalsContact N-CZ 3.26Å; N129-Y309 PolarHBondContact N-O 3.15Å; G130-Y309 PolarHBondContact N-O 3.26Å; L206-Y309 HydrophobicContact CB-CD1 3.85Å; L206-Y309 HydrophobicContact CB-CE1 4.12Å; L206-Y309 HydrophobicContact CD1-CE1 4.48Å; D208-Y309 WeakPolarHBondContact OD2-CA 3.4Å; D208-Y309 WeakPolarHBondContact OD2-CB 3.22Å; P244-Y309 HydrophobicContact CB-CD2 4.14Å; P244-Y309 HydrophobicContact CB-CG 4.12Å; P244-Y309 HydrophobicContact CG-CD2 4.28Å; Y307-Y309 HydrophobicContact CD1-CE1 4.42Å
310Y98Very high94Very high6 Ų636.2 Ų36.22%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-126.3143.3-164.5-57.6-88.9000110.9A118 V121 V127 G130 H173 D208 H238 H308A118-Y310 HydrophobicContact CB-CD2 3.84Å; A118-Y310 HydrophobicContact CB-CE1 4.39Å; A118-Y310 HydrophobicContact CB-CE2 3.57Å; A118-Y310 HydrophobicContact CB-CG 4.36Å; A118-Y310 PolarHBondContact O-OH 3.1Å; V121-Y310 HydrophobicContact CG2-CD1 4.34Å; V121-Y310 HydrophobicContact CG2-CE1 3.56Å; V127-Y310 HydrophobicContact CB-CE1 4.48Å; V127-Y310 HydrophobicContact CG1-CD1 4.16Å; V127-Y310 HydrophobicContact CG1-CE1 3.7Å; G130-Y310 CarbonylContact O-C 3.59Å; G130-Y310 VanDerWaalsContact O-CA 3.23Å; G130-Y310 WeakPolarHBondContact O-CA 3.42Å; G130-Y310 WeakPolarHBondContact O-CB 3.23Å; H173-Y310 HydrophobicContact CB-CD2 4.41Å; D208-Y310 PolarHBondContact OD2-N 3.41Å; H238-Y310 AromaticContact CE1-CD1 3.52Å; H238-Y310 AromaticContact CE1-CG 3.96Å; H238-Y310 AromaticContact ND1-CD1 3.96Å; H238-Y310 AromaticContact ND1-CG 3.93Å; H238-Y310 AromaticContact NE2-CD1 3.83Å; H308-Y310 HydrophobicContact CB-CE2 4.4Å
311S97.8Very high94.7Very high7 Ų730.6 Ų30.65%0.04916%0.162CC..  trans-75.6132.9174-175.70000109.4N129 G130 H238 E313N129-S311 WeakPolarHBondContact OD1-CB 3.38Å; G130-S311 PolarHBondContact O-N 2.79Å; H238-S311 WeakPolarHBondContact CB-O 3.39Å; S311-E313 WeakPolarHBondContact OG-CG 3.07Å; S311-E313 PolarHBondContact OG-N 3.38Å
312C97.3Very high95.2Very high1 Ų137.8 Ų37.81%0.00719%0.194CC..  trans-107.119.5169.168.10000112.3H238 H314 A315 K316H238-C312 WeakPolarHBondContact O-CB 3.13Å; C312-H314 PolarHBondContact O-N 2.95Å; C312-A315 HydrophobicContact CB-CB 4.37Å; C312-A315 WeakPolarHBondContact O-CA 3.25Å; C312-A315 WeakPolarHBondContact O-CB 3.42Å; C312-A315 PolarHBondContact O-N 3.19Å; C312-K316 PolarHBondContact O-N 3.4Å; C312-K316 VanDerWaalsContact SG-CE 3.52Å
313E97.5Very high95.7Very high83 Ų8339.4 Ų39.439%0.38820%0.203SC..Hα-helixtrans-58.3-43.5-177.7-69.5-53.7129.400112.4S311 A315 K316 E317S311-E313 WeakPolarHBondContact OG-CG 3.07Å; S311-E313 PolarHBondContact OG-N 3.38Å; E313-A315 PolarHBondContact O-N 3.15Å; E313-K316 WeakPolarHBondContact O-CA 3.3Å; E313-K316 WeakPolarHBondContact O-CB 3.36Å; E313-K316 PolarHBondContact O-N 2.9Å; E313-K316 IonicContact OE1-NZ 2.75Å; E313-K316 PolarHBondContact OE1-NZ 3Å; E313-E317 WeakPolarHBondContact O-CG 3.35Å; E313-E317 PolarHBondContact O-N 3.1Å
314H96.5Very high96.2Very high60 Ų6041 Ų4128%0.27822%0.215SC..Hα-helixtrans-63.1-32.4175.7-67.2150.2000112.6E132 Y237 C312 E317 H318E132-H314 IonicContact OE2-CE1 3.73Å; E132-H314 IonicContact OE2-CG 3.89Å; E132-H314 IonicContact OE2-ND1 3.83Å; E132-H314 PolarHBondContact OE2-ND1 3.11Å; Y237-H314 HydrophobicContact CD1-CB 4.13Å; Y237-H314 HydrophobicContact CE1-CB 3.87Å; C312-H314 PolarHBondContact O-N 2.95Å; H314-E317 IonicContact CD2-OE2 3.57Å; H314-H318 VanDerWaalsContact O-CB 3.27Å; H314-H318 WeakPolarHBondContact O-CB 3.11Å; H314-H318 PolarHBondContact O-N 2.75Å
315A97.6Very high96.6Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-68.3-40173.300000111Y237 I239 C312 E313 L319 G320 Y321Y237-A315 HydrophobicContact CD1-CB 4.22Å; I239-A315 HydrophobicContact CD1-CB 3.74Å; C312-A315 HydrophobicContact CB-CB 4.37Å; C312-A315 WeakPolarHBondContact O-CA 3.25Å; C312-A315 WeakPolarHBondContact O-CB 3.42Å; C312-A315 PolarHBondContact O-N 3.19Å; E313-A315 PolarHBondContact O-N 3.15Å; A315-L319 HydrophobicContact CB-CD1 4.17Å; A315-L319 WeakPolarHBondContact O-CA 3.49Å; A315-L319 WeakPolarHBondContact O-CB 3.45Å; A315-L319 PolarHBondContact O-N 3.35Å; A315-G320 PolarHBondContact O-N 3.26Å; A315-Y321 HydrophobicContact CB-CD1 4.19Å; A315-Y321 HydrophobicContact CB-CG 4.31Å; A315-Y321 WeakPolarHBondContact O-CB 3.37Å; A315-Y321 PolarHBondContact O-N 3.17Å; A315-Y321 VanDerWaalsContact O-N 3.16Å
316K97.8Very high97.1Very high48 Ų4842.8 Ų42.821%0.20922%0.224CC..Hα-helixtrans-60.8-48.1174.2-63.2173.8-173.2170.70111.1D242 C312 E313 G320 Y321D242-K316 WeakPolarHBondContact OD1-CE 3.5Å; D242-K316 IonicContact OD1-NZ 3.67Å; D242-K316 PolarHBondContact OD1-NZ 3.27Å; D242-K316 WeakPolarHBondContact OD2-CE 3.44Å; D242-K316 IonicContact OD2-NZ 3.96Å; D242-K316 PolarHBondContact OD2-NZ 2.85Å; C312-K316 PolarHBondContact O-N 3.4Å; C312-K316 VanDerWaalsContact SG-CE 3.52Å; E313-K316 WeakPolarHBondContact O-CA 3.3Å; E313-K316 WeakPolarHBondContact O-CB 3.36Å; E313-K316 PolarHBondContact O-N 2.9Å; E313-K316 IonicContact OE1-NZ 2.75Å; E313-K316 PolarHBondContact OE1-NZ 3Å; K316-G320 WeakPolarHBondContact O-CA 3.43Å; K316-G320 PolarHBondContact O-N 2.99Å; K316-G320 VanDerWaalsContact O-N 3.13Å; K316-Y321 VanDerWaalsContact CG-O 3.31Å; K316-Y321 WeakPolarHBondContact CG-O 3.27Å
317E96.8Very high97.4Very high133 Ų13342.9 Ų42.962%0.62122%0.224SC*.Hα-helixtrans-69.6-48.2-176.7-70.2175.2174.900112.8E313 H314E313-E317 WeakPolarHBondContact O-CG 3.35Å; E313-E317 PolarHBondContact O-N 3.1Å; H314-E317 IonicContact CD2-OE2 3.57Å
318H96.8Very high97.4Very high59 Ų5948.5 Ų48.527%0.27325%0.249SC..Hα-helixtrans-93.2-25.5-170.9-58.2160.3000114.3P231 I232 Y237 H314P231-H318 HydrophobicContact CG-CB 4.27Å; I232-H318 HydrophobicContact CG2-CB 3.74Å; Y237-H318 HydrophobicContact CE1-CB 4.02Å; Y237-H318 AromaticContact CE1-ND1 3.54Å; Y237-H318 AromaticContact CZ-ND1 3.67Å; Y237-H318 PolarHBondContact OH-ND1 2.6Å; H314-H318 VanDerWaalsContact O-CB 3.27Å; H314-H318 WeakPolarHBondContact O-CB 3.11Å; H314-H318 PolarHBondContact O-N 2.75Å
319L95.5Very high97.6Very high1 Ų151.9 Ų51.91%0.00527%0.265CS..Hα-helixtrans-110.2-10.8-178.3-52175.2000112.9L221 A222 H225 I232 Y237 I239 A315 Y321L221-L319 HydrophobicContact CB-CB 4.24Å; A222-L319 HydrophobicContact CB-CD1 4.43Å; A222-L319 HydrophobicContact CB-CD2 4.49Å; H225-L319 HydrophobicContact CB-CD2 4Å; H225-L319 PolarHBondContact CE1-O 3.13Å; H225-L319 VanDerWaalsContact CE1-O 3.29Å; I232-L319 HydrophobicContact CB-CD2 4.43Å; I232-L319 HydrophobicContact CD1-CD2 3.5Å; I232-L319 HydrophobicContact CG2-CD2 3.77Å; Y237-L319 HydrophobicContact CD1-CD1 4.29Å; Y237-L319 HydrophobicContact CG-CD1 4.21Å; I239-L319 HydrophobicContact CD1-CD1 4.44Å; A315-L319 HydrophobicContact CB-CD1 4.17Å; A315-L319 WeakPolarHBondContact O-CA 3.49Å; A315-L319 WeakPolarHBondContact O-CB 3.45Å; A315-L319 PolarHBondContact O-N 3.35Å; L319-Y321 PolarHBondContact O-N 3.45Å
320G96.9Very high97.6Very high51 Ų5149.6 Ų49.653%0.52626%0.256SS..  trans66.822-167.800000112.7A315 K316 K322A315-G320 PolarHBondContact O-N 3.26Å; K316-G320 WeakPolarHBondContact O-CA 3.43Å; K316-G320 PolarHBondContact O-N 2.99Å; K316-G320 VanDerWaalsContact O-N 3.13Å; G320-K322 PolarHBondContact O-N 3.39Å
321Y98.3Very high97.6Very high0 Ų049.7 Ų49.70%026%0.257CS..  trans-64.2131.4-175.4174.7-104.4000111.4H217 L221 I239 T240 A315 K316 L319 P323H217-Y321 AromaticContact CD2-CD2 3.97Å; L221-Y321 HydrophobicContact CD1-CD2 4.11Å; I239-Y321 HydrophobicContact CD1-CD1 4.15Å; I239-Y321 HydrophobicContact CD1-CD2 3.95Å; I239-Y321 HydrophobicContact CD1-CE1 4.38Å; I239-Y321 HydrophobicContact CD1-CE2 4.19Å; I239-Y321 HydrophobicContact CD1-CG 3.93Å; I239-Y321 HydrophobicContact CG2-CE1 4.33Å; I239-Y321 HydrophobicContact CG2-CE2 3.79Å; T240-Y321 WeakPolarHBondContact O-CE1 3.43Å; T240-Y321 PolarHBondContact O-OH 2.97Å; A315-Y321 HydrophobicContact CB-CD1 4.19Å; A315-Y321 HydrophobicContact CB-CG 4.31Å; A315-Y321 WeakPolarHBondContact O-CB 3.37Å; A315-Y321 PolarHBondContact O-N 3.17Å; A315-Y321 VanDerWaalsContact O-N 3.16Å; K316-Y321 VanDerWaalsContact CG-O 3.31Å; K316-Y321 WeakPolarHBondContact CG-O 3.27Å; L319-Y321 PolarHBondContact O-N 3.45Å; Y321-P323 HydrophobicContact CE1-CG 4.24Å
322K97.8Very high97.6Very high152 Ų15251.9 Ų51.966%0.66128%0.276SS*.  trans-140.4137.8163.6-67.6-175.9178.6179.50107.9H217 G320 V324H217-K322 PolarHBondContact CD2-O 2.89Å; G320-K322 PolarHBondContact O-N 3.39Å; K322-V324 PolarHBondContact O-N 3.31Å
323P97.6Very high97.7Very high38 Ų3856.7 Ų56.725%0.24729%0.294CS..  trans-53.4129.4173.5-23.932.8000110.5N241 D242 Y321N241-P323 VanDerWaalsContact O-CG 3.31Å; N241-P323 WeakPolarHBondContact O-CG 3.44Å; D242-P323 HydrophobicContact CB-CG 3.79Å; Y321-P323 HydrophobicContact CE1-CG 4.24Å
324V98.1Very high97.7Very high85 Ų8552.7 Ų52.752%0.51528%0.275SS..SBendtrans-89.1-15.9178.4-69.50000112.2N214 H217 K322N214-V324 WeakPolarHBondContact OD1-CG2 3.38Å; N214-V324 PolarHBondContact OD1-N 3.46Å; H217-V324 HydrophobicContact CB-CG2 4.19Å; K322-V324 PolarHBondContact O-N 3.31Å
325V98.3Very high97.8Very high9 Ų950.5 Ų50.56%0.05527%0.266CS..SBendtrans-131.4125.4176.7179.10000109.2Y211 N214 N241 E329Y211-V325 HydrophobicContact CD1-CB 3.65Å; Y211-V325 HydrophobicContact CD1-CG1 3.65Å; Y211-V325 HydrophobicContact CD1-CG2 3.98Å; Y211-V325 HydrophobicContact CE1-CB 4.05Å; Y211-V325 HydrophobicContact CE1-CG1 3.85Å; Y211-V325 HydrophobicContact CE1-CG2 3.93Å; Y211-V325 HydrophobicContact CG-CG1 4.25Å; N214-V325 PolarHBondContact ND2-O 2.89Å; N214-V325 PolarHBondContact OD1-N 3.33Å; N241-V325 PolarHBondContact ND2-O 3.49Å; V325-E329 HydrophobicContact CG1-CB 3.99Å; V325-E329 HydrophobicContact CG1-CG 3.83Å
326S98.4Very high97.8Very high55 Ų5553.6 Ų53.639%0.38529%0.291SS..  trans-65156.5173.369.50000111.9E243 K328 E329 G330E243-S326 WeakPolarHBondContact OE2-CA 3.48Å; S326-K328 VanDerWaalsContact C-N 3.32Å; S326-K328 PolarHBondContact O-N 2.9Å; S326-E329 PolarHBondContact O-N 3.31Å; S326-E329 WeakPolarHBondContact OG-CB 3.35Å; S326-E329 PolarHBondContact OG-N 2.95Å; S326-G330 PolarHBondContact O-N 3.25Å
327L98.1Very high97.7Very high12 Ų1253.3 Ų53.36%0.06330%0.295CS..Hα-helixtrans-59.1-45.4-179.3-177.567.1000111F176 F209 N241 E243 I245 F250 E329 G330 I331F176-L327 HydrophobicContact CE1-CD1 3.73Å; F176-L327 HydrophobicContact CZ-CD1 3.72Å; F209-L327 HydrophobicContact CB-CD1 4.28Å; N241-L327 WeakPolarHBondContact ND2-CA 3.45Å; N241-L327 PolarHBondContact ND2-N 3.5Å; E243-L327 HydrophobicContact CB-CB 4.2Å; E243-L327 HydrophobicContact CB-CD2 4.47Å; E243-L327 WeakPolarHBondContact OE2-CB 3.29Å; E243-L327 PolarHBondContact OE2-N 3.27Å; I245-L327 HydrophobicContact CB-CD2 3.76Å; I245-L327 HydrophobicContact CD1-CD2 3.81Å; I245-L327 HydrophobicContact CG1-CD2 4.35Å; I245-L327 HydrophobicContact CG2-CD2 3.8Å; F250-L327 HydrophobicContact CD2-CD1 4.41Å; F250-L327 HydrophobicContact CE2-CD1 4.33Å; L327-E329 PolarHBondContact O-N 2.98Å; L327-G330 PolarHBondContact O-N 3.05Å; L327-I331 HydrophobicContact CD1-CD1 4.35Å; L327-I331 HydrophobicContact CG-CD1 4Å; L327-I331 WeakPolarHBondContact O-CG1 3.19Å; L327-I331 PolarHBondContact O-N 2.83Å
328K97.9Very high97.7Very high165 Ų16547.5 Ų47.572%0.71727%0.268SS*.Hα-helixtrans-57.7-47.3178-177.1178.5179.1179.50112.3S326 I331 A332S326-K328 VanDerWaalsContact C-N 3.32Å; S326-K328 PolarHBondContact O-N 2.9Å; K328-I331 PolarHBondContact O-N 2.87Å; K328-A332 PolarHBondContact O-N 2.79Å
329E98.4Very high97.6Very high77 Ų7748.5 Ų48.536%0.3628%0.279SS..Hα-helixtrans-65.3-42.1176.7176.362.9-175.900111.3V325 S326 L327 I331 A332 R333V325-E329 HydrophobicContact CG1-CB 3.99Å; V325-E329 HydrophobicContact CG1-CG 3.83Å; S326-E329 PolarHBondContact O-N 3.31Å; S326-E329 WeakPolarHBondContact OG-CB 3.35Å; S326-E329 PolarHBondContact OG-N 2.95Å; L327-E329 PolarHBondContact O-N 2.98Å; E329-I331 VanDerWaalsContact C-N 3.34Å; E329-I331 PolarHBondContact O-N 2.77Å; E329-A332 PolarHBondContact O-N 3.38Å; E329-R333 WeakPolarHBondContact O-CG 3.45Å; E329-R333 PolarHBondContact O-N 3.26Å; E329-R333 IonicContact OE1-CZ 3.55Å; E329-R333 VanDerWaalsContact OE1-CZ 3.23Å; E329-R333 IonicContact OE1-NE 3.68Å; E329-R333 PolarHBondContact OE1-NE 3.06Å; E329-R333 IonicContact OE1-NH2 2.89Å; E329-R333 PolarHBondContact OE1-NH2 3.45Å
330G98.3Very high97.6Very high0 Ų053.9 Ų53.90%030%0.304CS..Hα-helixtrans-58.5-44.4176.200000112.3Y211 S326 L327 T334Y211-G330 VanDerWaalsContact CD2-CA 3.45Å; S326-G330 PolarHBondContact O-N 3.25Å; L327-G330 PolarHBondContact O-N 3.05Å; G330-T334 VanDerWaalsContact O-CB 3.3Å; G330-T334 WeakPolarHBondContact O-CB 3.29Å; G330-T334 PolarHBondContact O-N 3.16Å; G330-T334 PolarHBondContact O-OG1 3.31Å
331I98.3Very high97.4Very high7 Ų752.4 Ų52.44%0.03628%0.284CS..Hα-helixtrans-63.1-47.4176.6-68.1167.1000110.3F176 F250 E253 V254 L327 K328 E329 R333 T334 V335F176-I331 HydrophobicContact CE2-CG1 3.89Å; F176-I331 HydrophobicContact CZ-CG1 4.08Å; F250-I331 HydrophobicContact CD2-CD1 3.75Å; F250-I331 HydrophobicContact CD2-CG1 4.16Å; F250-I331 HydrophobicContact CE2-CD1 3.94Å; F250-I331 HydrophobicContact CE2-CG1 3.81Å; E253-I331 HydrophobicContact CB-CD1 4.35Å; E253-I331 HydrophobicContact CB-CG2 4.08Å; E253-I331 VanDerWaalsContact OE2-CD1 3.22Å; E253-I331 WeakPolarHBondContact OE2-CD1 3.46Å; V254-I331 HydrophobicContact CG2-CG2 4.23Å; L327-I331 HydrophobicContact CD1-CD1 4.35Å; L327-I331 HydrophobicContact CG-CD1 4Å; L327-I331 WeakPolarHBondContact O-CG1 3.19Å; L327-I331 PolarHBondContact O-N 2.83Å; K328-I331 PolarHBondContact O-N 2.87Å; E329-I331 VanDerWaalsContact C-N 3.34Å; E329-I331 PolarHBondContact O-N 2.77Å; I331-R333 PolarHBondContact O-N 3.13Å; I331-T334 WeakPolarHBondContact O-CB 3.47Å; I331-T334 PolarHBondContact O-N 3.47Å; I331-V335 HydrophobicContact CG2-CG2 4.35Å; I331-V335 WeakPolarHBondContact O-CG2 3.39Å; I331-V335 PolarHBondContact O-N 2.85Å
332A98.3Very high97.2Very high54 Ų5458.3 Ų58.345%0.44631%0.306SS..Hα-helixtrans-58.3-48.4178.900000112.4K328 E329 T334 V335 A336K328-A332 PolarHBondContact O-N 2.79Å; E329-A332 PolarHBondContact O-N 3.38Å; A332-T334 VanDerWaalsContact C-N 3.32Å; A332-T334 PolarHBondContact O-N 2.97Å; A332-V335 PolarHBondContact O-N 2.9Å; A332-A336 WeakPolarHBondContact O-CB 3.4Å; A332-A336 PolarHBondContact O-N 2.88Å
333R98.4Very high96.8Very high101 Ų10158.8 Ų58.838%0.38130%0.304SS..Hα-helixtrans-61.7-40.7175.6-70.8-175.4-171.3-1746.4112.4E213 E329 I331 A336 S337E213-R333 IonicContact OE1-NH1 2.7Å; E213-R333 IonicContact OE2-NH1 3.17Å; E329-R333 WeakPolarHBondContact O-CG 3.45Å; E329-R333 PolarHBondContact O-N 3.26Å; E329-R333 IonicContact OE1-CZ 3.55Å; E329-R333 VanDerWaalsContact OE1-CZ 3.23Å; E329-R333 IonicContact OE1-NE 3.68Å; E329-R333 PolarHBondContact OE1-NE 3.06Å; E329-R333 IonicContact OE1-NH2 2.89Å; E329-R333 PolarHBondContact OE1-NH2 3.45Å; I331-R333 PolarHBondContact O-N 3.13Å; R333-A336 PolarHBondContact O-N 3.26Å; R333-S337 PolarHBondContact O-N 3.5Å; R333-S337 VanDerWaalsContact O-N 3.11Å
334T97.8Very high96.1Very high0 Ų061 Ų610%033%0.334CS..Hα-helixtrans-60.6-55.9177.7-59.20000109.7F176 G177 V184 G330 I331 A332 A336 S337 Y338F176-T334 HydrophobicContact CD2-CG2 4.28Å; F176-T334 WeakPolarHBondContact CD2-OG1 3.37Å; G177-T334 VanDerWaalsContact CA-OG1 3.29Å; G177-T334 WeakPolarHBondContact CA-OG1 3.23Å; V184-T334 HydrophobicContact CG2-CG2 3.62Å; G330-T334 VanDerWaalsContact O-CB 3.3Å; G330-T334 WeakPolarHBondContact O-CB 3.29Å; G330-T334 PolarHBondContact O-N 3.16Å; G330-T334 PolarHBondContact O-OG1 3.31Å; I331-T334 WeakPolarHBondContact O-CB 3.47Å; I331-T334 PolarHBondContact O-N 3.47Å; A332-T334 VanDerWaalsContact C-N 3.32Å; A332-T334 PolarHBondContact O-N 2.97Å; T334-A336 VanDerWaalsContact C-N 3.3Å; T334-A336 PolarHBondContact O-N 3.44Å; T334-S337 WeakPolarHBondContact O-CB 3.36Å; T334-S337 PolarHBondContact O-N 2.93Å; T334-S337 PolarHBondContact O-OG 2.93Å; T334-Y338 HydrophobicContact CG2-CD2 4.41Å; T334-Y338 HydrophobicContact CG2-CE2 4.01Å; T334-Y338 WeakPolarHBondContact O-CD2 3.4Å
335V97.5Very high95.1Very high14 Ų1462 Ų629%0.08535%0.351CS..Hα-helixtrans-55.7-44178.4168.20000112G257 L258 I331 A332 S337 Y338G257-V335 WeakPolarHBondContact O-CG1 3.49Å; L258-V335 HydrophobicContact CD2-CG1 4.07Å; L258-V335 HydrophobicContact CG-CG1 4.3Å; I331-V335 HydrophobicContact CG2-CG2 4.35Å; I331-V335 WeakPolarHBondContact O-CG2 3.39Å; I331-V335 PolarHBondContact O-N 2.85Å; A332-V335 PolarHBondContact O-N 2.9Å; V335-S337 PolarHBondContact O-N 3.38Å; V335-Y338 PolarHBondContact O-N 3.47Å
336A97.6Very high94.9Very high64 Ų6464.7 Ų64.753%0.52937%0.366SS..Hα-helixtrans-61-30178.100000112.9A332 R333 T334 Y338A332-A336 WeakPolarHBondContact O-CB 3.4Å; A332-A336 PolarHBondContact O-N 2.88Å; R333-A336 PolarHBondContact O-N 3.26Å; T334-A336 VanDerWaalsContact C-N 3.3Å; T334-A336 PolarHBondContact O-N 3.44Å; A336-Y338 VanDerWaalsContact C-N 3.32Å; A336-Y338 PolarHBondContact O-N 2.96Å
337S97Very high94.7Very high42 Ų4265.2 Ų65.229%0.29437%0.365SS..THydrogen-bonded Turntrans-78.3-7.2-179.1760000115.3P178 R333 T334 V335 P339P178-S337 WeakPolarHBondContact CA-OG 3.27Å; R333-S337 PolarHBondContact O-N 3.5Å; R333-S337 VanDerWaalsContact O-N 3.11Å; T334-S337 WeakPolarHBondContact O-CB 3.36Å; T334-S337 PolarHBondContact O-N 2.93Å; T334-S337 PolarHBondContact O-OG 2.93Å; V335-S337 PolarHBondContact O-N 3.38Å; S337-P339 VanDerWaalsContact O-CD 3.29Å; S337-P339 WeakPolarHBondContact O-CD 3.31Å
338Y95.9Very high94.5Very high12 Ų1268.1 Ų68.15%0.04738%0.382CS..  trans-117.757.2179.1-64.9-87.1000113.8R179 D180 V184 T334 V335 A336 H340 L341R179-Y338 PolarHBondContact N-OH 3.3Å; D180-Y338 VanDerWaalsContact CA-OH 3.32Å; D180-Y338 WeakPolarHBondContact CA-OH 3.38Å; D180-Y338 WeakPolarHBondContact CB-OH 3.46Å; D180-Y338 PolarHBondContact N-OH 2.91Å; D180-Y338 PolarHBondContact O-OH 3.45Å; V184-Y338 HydrophobicContact CB-CD2 4.32Å; V184-Y338 HydrophobicContact CB-CE2 4.02Å; V184-Y338 HydrophobicContact CG1-CD1 4.38Å; V184-Y338 HydrophobicContact CG1-CD2 3.81Å; V184-Y338 HydrophobicContact CG1-CE2 4.03Å; V184-Y338 HydrophobicContact CG1-CG 4.03Å; V184-Y338 HydrophobicContact CG2-CD2 4.43Å; V184-Y338 HydrophobicContact CG2-CE2 3.97Å; T334-Y338 HydrophobicContact CG2-CD2 4.41Å; T334-Y338 HydrophobicContact CG2-CE2 4.01Å; T334-Y338 WeakPolarHBondContact O-CD2 3.4Å; V335-Y338 PolarHBondContact O-N 3.47Å; A336-Y338 VanDerWaalsContact C-N 3.32Å; A336-Y338 PolarHBondContact O-N 2.96Å; Y338-H340 AromaticContact CD1-CE1 3.63Å; Y338-H340 AromaticContact CD1-NE2 3.89Å; Y338-H340 PolarHBondContact O-N 3.16Å; Y338-L341 HydrophobicContact CD1-CD1 3.44Å; Y338-L341 VanDerWaalsContact CD1-CD1 3.44Å; Y338-L341 HydrophobicContact CD1-CG 4.05Å; Y338-L341 HydrophobicContact CE1-CD1 4.13Å; Y338-L341 HydrophobicContact CG-CD1 4.01Å; Y338-L341 PolarHBondContact O-N 2.79Å; Y338-L341 VanDerWaalsContact O-N 3.11Å
339P95.1Very high94.3Very high79 Ų7962.4 Ų62.451%0.51336%0.362SS..G310 helixtrans-59.1-34.9177.325.3-33.4000112.3S337 L341 R342S337-P339 VanDerWaalsContact O-CD 3.29Å; S337-P339 WeakPolarHBondContact O-CD 3.31Å; P339-L341 VanDerWaalsContact C-N 3.27Å; P339-L341 PolarHBondContact O-N 3.29Å; P339-R342 WeakPolarHBondContact O-CB 3.49Å; P339-R342 WeakPolarHBondContact O-CG 3.49Å; P339-R342 PolarHBondContact O-N 3.39Å
340H94.6Very high94.1Very high115 Ų11561.5 Ų61.553%0.53236%0.362SS..G310 helixtrans-71.3-13.7179.364.9-84.2000114.6Y338Y338-H340 AromaticContact CD1-CE1 3.63Å; Y338-H340 AromaticContact CD1-NE2 3.89Å; Y338-H340 PolarHBondContact O-N 3.16Å
341L94.5Very high93.8Very high20 Ų2065.6 Ų65.611%0.10539%0.386CS..G310 helixtrans-99.1-4.9175.6-62.7-175.5000112.9V184 P185 V188 Y260 Y338 P339V184-L341 HydrophobicContact CG1-CD1 4.09Å; P185-L341 HydrophobicContact CB-CD1 4.5Å; P185-L341 HydrophobicContact CG-CD1 4.32Å; V188-L341 HydrophobicContact CG1-CB 4.25Å; V188-L341 HydrophobicContact CG2-CB 4.18Å; V188-L341 HydrophobicContact CG2-CD1 4.34Å; Y260-L341 VanDerWaalsContact CE2-O 3.25Å; Y260-L341 WeakPolarHBondContact CE2-O 3.5Å; Y260-L341 PolarHBondContact OH-O 3.12Å; Y338-L341 HydrophobicContact CD1-CD1 3.44Å; Y338-L341 VanDerWaalsContact CD1-CD1 3.44Å; Y338-L341 HydrophobicContact CD1-CG 4.05Å; Y338-L341 HydrophobicContact CE1-CD1 4.13Å; Y338-L341 HydrophobicContact CG-CD1 4.01Å; Y338-L341 PolarHBondContact O-N 2.79Å; Y338-L341 VanDerWaalsContact O-N 3.11Å; P339-L341 VanDerWaalsContact C-N 3.27Å; P339-L341 PolarHBondContact O-N 3.29Å
342R93.9Very high93.5Very high123 Ų12369.8 Ų69.846%0.46441%0.411SS..SBendtrans-57.2149.8177.4-71.7-175.3174.1-163.3-2.1110.9L258 P339 G344 A345L258-R342 HydrophobicContact CD2-CG 4.11Å; L258-R342 WeakPolarHBondContact O-CA 3.4Å; P339-R342 WeakPolarHBondContact O-CB 3.49Å; P339-R342 WeakPolarHBondContact O-CG 3.49Å; P339-R342 PolarHBondContact O-N 3.39Å; R342-G344 PolarHBondContact O-N 3.26Å; R342-A345 HydrophobicContact CB-CB 4.28Å; R342-A345 VanDerWaalsContact O-CB 3.32Å; R342-A345 WeakPolarHBondContact O-CB 3.22Å; R342-A345 PolarHBondContact O-N 2.81Å; R342-A345 VanDerWaalsContact O-N 3.14Å
343R89.5Confident93.1Very high162 Ų16271 Ų7161%0.61141%0.409SS*.THydrogen-bonded Turntrans-64123.1176.9-171.8179.9-179.8-171.4-2.6109.6L258 G259 Y260L258-R343 PolarHBondContact O-N 3.36Å; G259-R343 WeakPolarHBondContact O-CD 3.49Å; Y260-R343 HydrophobicContact CD1-CB 4.27Å; Y260-R343 HydrophobicContact CD1-CG 4.35Å; Y260-R343 HydrophobicContact CD2-CB 4.35Å; Y260-R343 HydrophobicContact CE1-CB 3.99Å; Y260-R343 HydrophobicContact CE1-CG 4.12Å; Y260-R343 HydrophobicContact CE2-CB 4.09Å; Y260-R343 HydrophobicContact CG-CB 4.43Å
344G81.9Confident92.7Very high84 Ų8468.5 Ų68.587%0.86641%0.411SS*.THydrogen-bonded Turntrans86.44.9-178.200000115.1R342R342-G344 PolarHBondContact O-N 3.26Å
345A76.6Confident92.2Very high107 Ų10774.7 Ų74.788%0.88445%0.448SS*.  trans-76.60168.300000112.6R342R342-A345 HydrophobicContact CB-CB 4.28Å; R342-A345 VanDerWaalsContact O-CB 3.32Å; R342-A345 WeakPolarHBondContact O-CB 3.22Å; R342-A345 PolarHBondContact O-N 2.81Å; R342-A345 VanDerWaalsContact O-N 3.14Å

Retrieved 345 of 345 residues in 1049.7 ms (Link to these results)

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