A0A061ILA9_CRIGR Loading...

GTPase IMAP family member GIMD1

AlphaFold DB , UniProt , Accession A0A061ILA9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gimd1, Length 217 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
1M39.9Very low76.8Confident242 Ų24275.1 Ų75.1100%1.19240%0.4SS*.  0105.70-73.3174.6169.900106.2D3M1-D3 PolarHBondContact O-N 3.16Å
2T42.7Very low78.6Confident124 Ų12468.8 Ų68.876%0.76137%0.367SS*.  trans-68.8122.3176.136.80000108T4T2-T4 VanDerWaalsContact C-N 3.26Å; T2-T4 PolarHBondContact O-N 3.17Å
3D48.7Very low80.1Confident124 Ų12463.5 Ų63.566%0.66334%0.339SS*.  trans-59.887173.1-91.4-38.6000109.7M1 N5 K6M1-D3 PolarHBondContact O-N 3.16Å; D3-N5 PolarHBondContact O-N 3.28Å; D3-K6 HydrophobicContact CB-CB 4.42Å
4T58.6Low81.4Confident124 Ų12459.1 Ų59.176%0.76132%0.315SS*.THydrogen-bonded Turntrans-72.8-7.8-177.824.70000113.4T2T2-T4 VanDerWaalsContact C-N 3.26Å; T2-T4 PolarHBondContact O-N 3.17Å
5N81.9Confident82.5Confident45 Ų4555.4 Ų55.424%0.24130%0.297CS..THydrogen-bonded Turntrans-115.433.9-178.9-71.4-8.2000113.4D3 Q64 E65 I66 T67D3-N5 PolarHBondContact O-N 3.28Å; N5-Q64 WeakPolarHBondContact ND2-CB 3.41Å; N5-Q64 PolarHBondContact ND2-OE1 3.08Å; N5-Q64 PolarHBondContact OD1-OE1 2.99Å; N5-E65 VanDerWaalsContact CB-O 3.27Å; N5-E65 WeakPolarHBondContact CB-O 3.37Å; N5-E65 PolarHBondContact ND2-O 3.37Å; N5-I66 HydrophobicContact CB-CD1 4.09Å; N5-I66 WeakPolarHBondContact O-CA 3.5Å; N5-T67 PolarHBondContact O-N 2.94Å
6K89.5Confident83.2Confident80 Ų8055.3 Ų55.335%0.34829%0.291SS..EExtended strand (participates in β ladder)trans-96.2131.1173.6-171.9-179.3176.6-167.80110.6D3 H54 T67D3-K6 HydrophobicContact CB-CB 4.42Å; K6-H54 PolarHBondContact NZ-NE2 2.94Å; K6-T67 CarbonylContact C-O 3.41Å; K6-T67 WeakPolarHBondContact CA-O 3.34Å
7M92.9Very high83.8Confident30 Ų3054.2 Ų54.215%0.14829%0.287CS..EExtended strand (participates in β ladder)trans-117.8129.4172.7-176.7165.3176.100109.4I9 I66 T67 L68 Q69 M203 Y211M7-I9 HydrophobicContact CE-CD1 3.35Å; M7-I9 HydrophobicContact CE-CG1 4.06Å; M7-I9 HydrophobicContact CG-CD1 4.41Å; M7-I9 HydrophobicContact CG-CG1 4.45Å; M7-I66 HydrophobicContact CB-CG2 3.65Å; M7-T67 PolarHBondContact N-O 3.37Å; M7-L68 HydrophobicContact CB-CD1 4.36Å; M7-L68 HydrophobicContact CG-CD1 4.28Å; M7-L68 CarbonylContact O-C 3.54Å; M7-L68 WeakPolarHBondContact O-CA 3.38Å; M7-Q69 PolarHBondContact O-N 3.04Å; M7-M203 HydrophobicContact CE-CE 3.47Å; M7-M203 VanDerWaalsContact CE-CE 3.47Å; M7-M203 HydrophobicContact SD-CE 4.16Å; M7-Y211 HydrophobicContact CE-CD1 3.45Å; M7-Y211 VanDerWaalsContact CE-CD1 3.45Å; M7-Y211 HydrophobicContact CE-CE1 3.62Å
8I95.9Very high84.2Confident56 Ų5654.6 Ų54.629%0.28729%0.287SS..EExtended strand (participates in β ladder)trans-109.5130.8175.9-57.8179.6000107.7Q69 Q71 H106I8-Q69 WeakPolarHBondContact CA-O 3.43Å; I8-Q69 HydrophobicContact CG1-CB 4.37Å; I8-Q71 HydrophobicContact CG2-CG 3.83Å; I8-H106 PolarHBondContact O-CE1 3.48Å; I8-H106 PolarHBondContact O-NE2 3.43Å
9I97.5Very high84.8Confident0 Ų051.9 Ų51.90%027%0.273CS..EExtended strand (participates in β ladder)trans-117.1124.3176.7-68-60.9000109.5M7 L11 L68 Q69 I70 Q71 H106 M203 I206M7-I9 HydrophobicContact CE-CD1 3.35Å; M7-I9 HydrophobicContact CE-CG1 4.06Å; M7-I9 HydrophobicContact CG-CD1 4.41Å; M7-I9 HydrophobicContact CG-CG1 4.45Å; I9-L11 HydrophobicContact CG2-CD1 4.49Å; I9-L11 HydrophobicContact CG2-CD2 3.61Å; I9-L11 HydrophobicContact CG2-CG 3.91Å; I9-L68 HydrophobicContact CB-CD1 4.33Å; I9-L68 HydrophobicContact CG1-CD1 3.67Å; I9-Q69 PolarHBondContact N-O 3.38Å; I9-I70 HydrophobicContact CB-CD1 4Å; I9-I70 HydrophobicContact CG2-CD1 4.39Å; I9-Q71 PolarHBondContact O-N 3.44Å; I9-H106 HydrophobicContact CD1-CB 4.44Å; I9-H106 VanDerWaalsContact CD1-CD2 3.42Å; I9-H106 WeakPolarHBondContact CD1-CD2 3.43Å; I9-H106 HydrophobicContact CG2-CB 4.25Å; I9-M203 HydrophobicContact CD1-CE 4.31Å; I9-M203 HydrophobicContact CD1-SD 4.13Å; I9-M203 HydrophobicContact CG1-CE 4.43Å; I9-M203 HydrophobicContact CG1-SD 3.75Å; I9-I206 HydrophobicContact CD1-CD1 3.85Å; I9-I206 HydrophobicContact CD1-CG2 4.25Å; I9-I206 HydrophobicContact CG1-CD1 4.31Å; I9-I206 HydrophobicContact CG2-CD1 3.46Å; I9-I206 VanDerWaalsContact CG2-CD1 3.46Å
10N98.5Very high85.2Confident1 Ų150.3 Ų50.31%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-102.3115.7-177.9-60.6-26.4000109.6Q71 F100 D103 G104 L105 H106 L107N10-Q71 PolarHBondContact OD1-OE1 3.08Å; N10-F100 HydrophobicContact CB-CD1 3.68Å; N10-F100 HydrophobicContact CB-CD2 4.47Å; N10-F100 HydrophobicContact CB-CE1 3.54Å; N10-F100 HydrophobicContact CB-CE2 4.33Å; N10-F100 HydrophobicContact CB-CG 4.19Å; N10-F100 HydrophobicContact CB-CZ 3.88Å; N10-D103 VanDerWaalsContact ND2-CB 3.28Å; N10-D103 WeakPolarHBondContact ND2-CB 3.21Å; N10-G104 WeakPolarHBondContact CB-O 3.32Å; N10-G104 PolarHBondContact ND2-O 2.95Å; N10-L105 WeakPolarHBondContact O-CD1 3.35Å; N10-H106 PolarHBondContact N-ND1 2.94Å; N10-H106 WeakPolarHBondContact O-CB 3.26Å; N10-H106 PolarHBondContact O-N 3.43Å; N10-L107 PolarHBondContact O-N 2.83Å
11L98.8Very high85.8Confident0 Ų048.5 Ų48.50%026%0.259CS..EExtended strand (participates in β ladder)trans-115.9148.7-179.3-53.5177.7000110I9 L28 I70 Q71 V72 L73 L107 L109 I202 I206I9-L11 HydrophobicContact CG2-CD1 4.49Å; I9-L11 HydrophobicContact CG2-CD2 3.61Å; I9-L11 HydrophobicContact CG2-CG 3.91Å; L11-L28 HydrophobicContact CD1-CD1 4.03Å; L11-I70 HydrophobicContact CD1-CG2 3.77Å; L11-I70 HydrophobicContact CG-CG2 4.39Å; L11-Q71 PolarHBondContact N-O 3.05Å; L11-V72 HydrophobicContact CB-CG2 4.42Å; L11-V72 HydrophobicContact CD1-CG2 4.38Å; L11-V72 CarbonylContact O-C 3.59Å; L11-V72 WeakPolarHBondContact O-CA 3.37Å; L11-L73 PolarHBondContact O-N 3.36Å; L11-L107 VanDerWaalsContact CA-O 3.31Å; L11-L107 WeakPolarHBondContact CA-O 3.35Å; L11-L107 HydrophobicContact CD2-CB 3.75Å; L11-L109 HydrophobicContact CD1-CD1 4.38Å; L11-I202 HydrophobicContact CD1-CD1 4.22Å; L11-I202 HydrophobicContact CD1-CG2 4.33Å; L11-I202 HydrophobicContact CD2-CG2 3.96Å; L11-I206 HydrophobicContact CD2-CD1 4.44Å
12A98.6Very high88.4Confident0 Ų037.5 Ų37.50%021%0.206CC..EExtended strand (participates in β ladder)trans-128.4129.6168.100000109.2F14 L73 L96 F100 L105 L107 A108 L109A12-F14 HydrophobicContact CB-CD2 4.27Å; A12-F14 HydrophobicContact CB-CE2 3.56Å; A12-F14 HydrophobicContact CB-CZ 4.29Å; A12-L73 WeakPolarHBondContact CA-O 3.43Å; A12-L73 HydrophobicContact CB-CB 4.15Å; A12-L73 HydrophobicContact CB-CD2 4.47Å; A12-L96 HydrophobicContact CB-CD2 4.15Å; A12-F100 HydrophobicContact CB-CE2 4.43Å; A12-L105 HydrophobicContact CB-CD1 3.75Å; A12-L107 PolarHBondContact N-O 3.44Å; A12-L107 VanDerWaalsContact N-O 3.15Å; A12-A108 CarbonylContact O-C 3.6Å; A12-A108 WeakPolarHBondContact O-CA 3.37Å; A12-L109 PolarHBondContact O-N 3.5Å
13V98.4Very high90.9Very high0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-98125.6-179.7-67.50000110K21 T24 V72 L73 D74 T75 L109 V111V13-K21 HydrophobicContact CB-CB 4.35Å; V13-K21 HydrophobicContact CG2-CB 3.99Å; V13-T24 HydrophobicContact CG1-CG2 4.21Å; V13-V72 HydrophobicContact CG1-CG1 3.94Å; V13-V72 HydrophobicContact CG2-CG1 4.26Å; V13-L73 WeakPolarHBondContact CG2-O 3.38Å; V13-L73 PolarHBondContact N-O 3.18Å; V13-D74 HydrophobicContact CG2-CB 4.29Å; V13-D74 WeakPolarHBondContact CG2-OD1 3.3Å; V13-T75 WeakPolarHBondContact O-CB 3.29Å; V13-T75 WeakPolarHBondContact O-CG2 3.24Å; V13-T75 PolarHBondContact O-OG1 2.97Å; V13-L109 HydrophobicContact CG1-CB 4.17Å; V13-L109 HydrophobicContact CG1-CD1 4.23Å; V13-V111 HydrophobicContact CB-CG2 4.22Å; V13-V111 HydrophobicContact CG1-CG2 4.45Å
14F98.3Very high93.1Very high1 Ų128.2 Ų28.20%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-120.4165.7180-68.9-93.9000110.3A12 T75 V92 L96 A108 L109 V111 L129 I130 L133 L134A12-F14 HydrophobicContact CB-CD2 4.27Å; A12-F14 HydrophobicContact CB-CE2 3.56Å; A12-F14 HydrophobicContact CB-CZ 4.29Å; F14-T75 HydrophobicContact CE1-CG2 4.49Å; F14-V92 HydrophobicContact CE1-CG1 3.72Å; F14-V92 HydrophobicContact CZ-CG1 3.9Å; F14-L96 HydrophobicContact CZ-CD1 4.46Å; F14-A108 HydrophobicContact CD2-CB 3.9Å; F14-A108 HydrophobicContact CE2-CB 3.85Å; F14-L109 PolarHBondContact N-O 2.95Å; F14-V111 WeakPolarHBondContact O-CB 3.31Å; F14-V111 PolarHBondContact O-N 3.46Å; F14-L129 HydrophobicContact CD1-CD2 4.4Å; F14-I130 HydrophobicContact CB-CD1 3.51Å; F14-I130 HydrophobicContact CB-CG1 3.86Å; F14-I130 HydrophobicContact CD1-CD1 4.34Å; F14-I130 HydrophobicContact CD1-CG1 3.69Å; F14-I130 HydrophobicContact CD2-CD1 4.1Å; F14-I130 HydrophobicContact CD2-CG1 3.97Å; F14-I130 HydrophobicContact CE1-CG1 4.16Å; F14-I130 HydrophobicContact CE2-CG1 4.41Å; F14-I130 HydrophobicContact CG-CD1 3.75Å; F14-I130 HydrophobicContact CG-CG1 3.58Å; F14-L133 HydrophobicContact CE1-CD1 3.65Å; F14-L133 HydrophobicContact CZ-CD1 4.17Å; F14-L134 HydrophobicContact CZ-CD1 4.45Å
15G96.8Very high94.9Very high4 Ų422.3 Ų22.34%0.04112%0.12CC..EExtended strand (participates in β ladder)trans139.1177.5-179.700000113.5K21 G77 Y78G15-K21 PolarHBondContact O-NZ 3.34Å; G15-G77 VanDerWaalsContact O-CA 3.27Å; G15-G77 WeakPolarHBondContact O-CA 3.15Å; G15-Y78 PolarHBondContact O-N 3.28Å
16R94.8Very high95.6Very high54 Ų5421 Ų2120%0.20411%0.113CC..  trans-66.5163.3-177.6-66.3174.671.8173.9-0.4112.3S19 K21 Y78 E122 P126R16-S19 WeakPolarHBondContact O-CB 3.19Å; R16-S19 PolarHBondContact O-N 2.68Å; R16-S19 PolarHBondContact O-OG 3.47Å; R16-S19 VanDerWaalsContact O-OG 3.05Å; R16-K21 PolarHBondContact O-NZ 2.97Å; R16-Y78 WeakPolarHBondContact CA-O 3.41Å; R16-E122 WeakPolarHBondContact CD-O 3.4Å; R16-E122 IonicContact CZ-OE2 2.69Å; R16-E122 IonicContact NH2-OE2 2.81Å; R16-E122 PolarHBondContact NH2-OE2 2.82Å; R16-P126 HydrophobicContact CG-CG 3.61Å
17T92.8Very high95.8Very high36 Ų3619.4 Ų19.422%0.22111%0.107CC..THydrogen-bonded Turntrans-55.9138.6163-70.20000109.3S19 S42 P79T17-S19 PolarHBondContact O-N 2.85Å; T17-S42 WeakPolarHBondContact CG2-OG 3.42Å; T17-S42 PolarHBondContact OG1-OG 3.16Å; T17-P79 PolarHBondContact OG1-O 3.1Å
18Q91.8Very high95.9Very high62 Ų6218 Ų1829%0.2910%0.101SC..THydrogen-bonded Turntrans62.514.3-177.3-58.6-62.9-41.700116G20 S39 G41Q18-G20 PolarHBondContact O-N 3.28Å; Q18-S39 PolarHBondContact NE2-O 2.81Å; Q18-S39 PolarHBondContact NE2-OG 3.38Å; Q18-G41 PolarHBondContact NE2-O 2.72Å
19S94.1Very high95.8Very high4 Ų415.4 Ų15.43%0.0289%0.087CC..SBendtrans-75.2-9.2174.5720000114.6R16 T17 V111 T147R16-S19 WeakPolarHBondContact O-CB 3.19Å; R16-S19 PolarHBondContact O-N 2.68Å; R16-S19 PolarHBondContact O-OG 3.47Å; R16-S19 VanDerWaalsContact O-OG 3.05Å; T17-S19 PolarHBondContact O-N 2.85Å; S19-V111 VanDerWaalsContact CB-O 3.25Å; S19-V111 WeakPolarHBondContact CB-O 3.44Å; S19-V111 VanDerWaalsContact O-CG1 3.24Å; S19-V111 WeakPolarHBondContact O-CG1 3.42Å; S19-V111 PolarHBondContact OG-O 3.05Å; S19-V111 VanDerWaalsContact OG-O 3.09Å; S19-T147 PolarHBondContact O-OG1 3.24Å
20G94.3Very high95.5Very high19 Ų1917 Ų1720%0.19610%0.104CC..SBendtrans95.420.8-179.600000115.2Q18 S23 T24Q18-G20 PolarHBondContact O-N 3.28Å; G20-S23 PolarHBondContact O-N 3.24Å; G20-T24 VanDerWaalsContact O-CB 3.28Å; G20-T24 WeakPolarHBondContact O-CB 3.38Å; G20-T24 PolarHBondContact O-N 3.41Å; G20-T24 PolarHBondContact O-OG1 3.47Å
21K96.4Very high95.2Very high12 Ų1218.6 Ų18.65%0.05212%0.115CC..Hα-helixtrans-55-55.9178.9-62.6-173.9-55.6-60.10114V13 G15 R16 S23 T24 G25 T75 V111V13-K21 HydrophobicContact CB-CB 4.35Å; V13-K21 HydrophobicContact CG2-CB 3.99Å; G15-K21 PolarHBondContact O-NZ 3.34Å; R16-K21 PolarHBondContact O-NZ 2.97Å; K21-S23 VanDerWaalsContact C-N 3.34Å; K21-S23 PolarHBondContact O-N 3.42Å; K21-T24 VanDerWaalsContact O-CB 3.3Å; K21-T24 WeakPolarHBondContact O-CB 3.44Å; K21-T24 PolarHBondContact O-N 3.49Å; K21-T24 VanDerWaalsContact O-N 3.16Å; K21-G25 PolarHBondContact O-N 2.87Å; K21-T75 WeakPolarHBondContact CE-O 3.4Å; K21-V111 HydrophobicContact CG-CB 3.99Å; K21-V111 HydrophobicContact CG-CG2 4.07Å
22S96.2Very high94.8Very high12 Ų1223.1 Ų23.18%0.08414%0.143CC..Hα-helixtrans-63.5-40.1-178.6-47.10000112G25 N26 D74S22-G25 PolarHBondContact O-N 3.12Å; S22-N26 VanDerWaalsContact O-CG 3.31Å; S22-N26 PolarHBondContact O-N 3.41Å; S22-N26 PolarHBondContact O-ND2 2.83Å; S22-D74 WeakPolarHBondContact CB-OD2 3.49Å; S22-D74 PolarHBondContact OG-OD1 2.83Å; S22-D74 PolarHBondContact OG-OD2 2.88Å
23S94.4Very high94.5Very high50 Ų5027.5 Ų27.535%0.3517%0.166SC..Hα-helixtrans-62.8-43.7173178.20000112.2G20 K21 G25 N26 I27G20-S23 PolarHBondContact O-N 3.24Å; K21-S23 VanDerWaalsContact C-N 3.34Å; K21-S23 PolarHBondContact O-N 3.42Å; S23-G25 VanDerWaalsContact C-N 3.35Å; S23-G25 PolarHBondContact O-N 2.92Å; S23-N26 WeakPolarHBondContact O-CB 3.34Å; S23-N26 PolarHBondContact O-N 3.3Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.26Å
24T95.4Very high94.3Very high2 Ų228 Ų281%0.01217%0.168CC..Hα-helixtrans-57.6-48.1173.2-66.10000110.8V13 G20 K21 N26 I27 L28 V111 L145V13-T24 HydrophobicContact CG1-CG2 4.21Å; G20-T24 VanDerWaalsContact O-CB 3.28Å; G20-T24 WeakPolarHBondContact O-CB 3.38Å; G20-T24 PolarHBondContact O-N 3.41Å; G20-T24 PolarHBondContact O-OG1 3.47Å; K21-T24 VanDerWaalsContact O-CB 3.3Å; K21-T24 WeakPolarHBondContact O-CB 3.44Å; K21-T24 PolarHBondContact O-N 3.49Å; K21-T24 VanDerWaalsContact O-N 3.16Å; T24-N26 VanDerWaalsContact C-N 3.32Å; T24-N26 PolarHBondContact O-N 2.88Å; T24-I27 PolarHBondContact O-N 2.92Å; T24-I27 VanDerWaalsContact O-N 3.14Å; T24-L28 HydrophobicContact CG2-CD1 3.96Å; T24-L28 HydrophobicContact CG2-CG 4.35Å; T24-L28 WeakPolarHBondContact O-CG 3.23Å; T24-L28 PolarHBondContact O-N 2.79Å; T24-V111 HydrophobicContact CG2-CG2 4.38Å; T24-L145 HydrophobicContact CG2-CD2 3.32Å
25G96.5Very high93.9Very high0 Ų035.8 Ų35.80%020%0.199CC..Hα-helixtrans-57.3-46.2177.700000111.8K21 S22 S23 I27 L28 L29K21-G25 PolarHBondContact O-N 2.87Å; S22-G25 PolarHBondContact O-N 3.12Å; S23-G25 VanDerWaalsContact C-N 3.35Å; S23-G25 PolarHBondContact O-N 2.92Å; G25-I27 VanDerWaalsContact C-N 3.34Å; G25-I27 PolarHBondContact O-N 2.91Å; G25-L28 PolarHBondContact O-N 2.83Å; G25-L29 WeakPolarHBondContact O-CB 3.22Å; G25-L29 WeakPolarHBondContact O-CG 3.27Å; G25-L29 PolarHBondContact O-N 2.89Å
26N94.9Very high93.5Very high19 Ų1938.5 Ų38.510%0.10222%0.217CC..Hα-helixtrans-58.5-42.6175-73.5-15.8000112.8S22 S23 T24 L29 G30 S31 D33 F34S22-N26 VanDerWaalsContact O-CG 3.31Å; S22-N26 PolarHBondContact O-N 3.41Å; S22-N26 PolarHBondContact O-ND2 2.83Å; S23-N26 WeakPolarHBondContact O-CB 3.34Å; S23-N26 PolarHBondContact O-N 3.3Å; T24-N26 VanDerWaalsContact C-N 3.32Å; T24-N26 PolarHBondContact O-N 2.88Å; N26-L29 PolarHBondContact O-N 2.82Å; N26-G30 WeakPolarHBondContact O-CA 3.42Å; N26-G30 PolarHBondContact O-N 3.26Å; N26-S31 CarbonylContact C-O 3.6Å; N26-S31 WeakPolarHBondContact CA-O 3.17Å; N26-S31 WeakPolarHBondContact CB-O 3.24Å; N26-S31 PolarHBondContact O-N 2.98Å; N26-S31 VanDerWaalsContact O-N 3.15Å; N26-S31 VanDerWaalsContact O-O 3.05Å; N26-S31 PolarHBondContact OD1-O 3.44Å; N26-D33 PolarHBondContact OD1-N 3.11Å; N26-D33 VanDerWaalsContact OD1-N 3.17Å; N26-F34 PolarHBondContact ND2-O 3.1Å; N26-F34 WeakPolarHBondContact OD1-CB 3.49Å; N26-F34 WeakPolarHBondContact OD1-CD2 3.46Å; N26-F34 PolarHBondContact OD1-N 3.42Å
27I93.9Very high93.1Very high45 Ų4538.3 Ų38.323%0.23122%0.224CC..Hα-helixtrans-63.5-45.1176.8-69.7162.2000111.2S23 T24 G25 L29 G30 L184 R195S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.26Å; T24-I27 PolarHBondContact O-N 2.92Å; T24-I27 VanDerWaalsContact O-N 3.14Å; G25-I27 VanDerWaalsContact C-N 3.34Å; G25-I27 PolarHBondContact O-N 2.91Å; I27-L29 VanDerWaalsContact C-N 3.35Å; I27-L29 PolarHBondContact O-N 3.23Å; I27-G30 PolarHBondContact O-N 3.33Å; I27-L184 HydrophobicContact CD1-CD1 4.46Å; I27-L184 HydrophobicContact CD1-CD2 3.75Å; I27-L184 HydrophobicContact CD1-CG 4.35Å; I27-L184 HydrophobicContact CG2-CD1 4.17Å; I27-R195 WeakPolarHBondContact O-CD 3.5Å; I27-R195 VanDerWaalsContact O-CG 3.29Å; I27-R195 WeakPolarHBondContact O-CG 3.37Å
28L94.9Very high92.8Very high2 Ų243.9 Ų43.91%0.0125%0.252CS..Hα-helixtrans-62.9-42.5178.4-66.8173.2000111.6L11 T24 G25 G30 V72 L109 R195 I198 L199 I202L11-L28 HydrophobicContact CD1-CD1 4.03Å; T24-L28 HydrophobicContact CG2-CD1 3.96Å; T24-L28 HydrophobicContact CG2-CG 4.35Å; T24-L28 WeakPolarHBondContact O-CG 3.23Å; T24-L28 PolarHBondContact O-N 2.79Å; G25-L28 PolarHBondContact O-N 2.83Å; L28-G30 VanDerWaalsContact C-N 3.34Å; L28-V72 HydrophobicContact CB-CG2 3.95Å; L28-V72 HydrophobicContact CD1-CG2 4.14Å; L28-L109 HydrophobicContact CD1-CD1 3.63Å; L28-R195 PolarHBondContact O-NE 2.81Å; L28-R195 PolarHBondContact O-NH2 2.91Å; L28-I198 HydrophobicContact CD2-CG1 4.34Å; L28-I198 HydrophobicContact CD2-CG2 3.84Å; L28-L199 HydrophobicContact CD2-CD2 3.93Å; L28-I202 HydrophobicContact CD1-CD1 4.42Å; L28-I202 HydrophobicContact CD2-CD1 3.5Å; L28-I202 VanDerWaalsContact CD2-CD1 3.5Å
29L95Very high92.6Very high1 Ų142.4 Ų42.41%0.00525%0.248CC..Hα-helixtrans-72-28178.4-63.6173.7000112.8G25 N26 I27 S31 D33 F34 S52 V72 R195G25-L29 WeakPolarHBondContact O-CB 3.22Å; G25-L29 WeakPolarHBondContact O-CG 3.27Å; G25-L29 PolarHBondContact O-N 2.89Å; N26-L29 PolarHBondContact O-N 2.82Å; I27-L29 VanDerWaalsContact C-N 3.35Å; I27-L29 PolarHBondContact O-N 3.23Å; L29-S31 VanDerWaalsContact CB-OG 3.28Å; L29-S31 WeakPolarHBondContact CB-OG 3.41Å; L29-D33 HydrophobicContact CD1-CB 4.13Å; L29-F34 HydrophobicContact CD1-CD2 4.23Å; L29-F34 HydrophobicContact CD1-CE2 3.42Å; L29-F34 VanDerWaalsContact CD1-CE2 3.42Å; L29-F34 HydrophobicContact CD1-CZ 3.7Å; L29-F34 HydrophobicContact CG-CE2 4.48Å; L29-S52 WeakPolarHBondContact O-CB 3.37Å; L29-V72 HydrophobicContact CD1-CB 4.45Å; L29-V72 HydrophobicContact CD2-CB 4.19Å; L29-V72 HydrophobicContact CD2-CG2 3.8Å; L29-V72 HydrophobicContact CG-CB 4.28Å; L29-V72 HydrophobicContact CG-CG2 3.96Å; L29-R195 PolarHBondContact O-NH2 2.69Å
30G91.8Very high92.1Very high33 Ų3349.4 Ų49.434%0.3429%0.293SS..THydrogen-bonded Turntrans74.228.5-172.900000113N26 I27 L28N26-G30 WeakPolarHBondContact O-CA 3.42Å; N26-G30 PolarHBondContact O-N 3.26Å; I27-G30 PolarHBondContact O-N 3.33Å; L28-G30 VanDerWaalsContact C-N 3.34Å
31S90.9Very high91.7Very high34 Ų3449.2 Ų49.224%0.23829%0.292CS..SBendtrans-153.9171.9-17246.10000110.4N26 L29 D33N26-S31 CarbonylContact C-O 3.6Å; N26-S31 WeakPolarHBondContact CA-O 3.17Å; N26-S31 WeakPolarHBondContact CB-O 3.24Å; N26-S31 PolarHBondContact O-N 2.98Å; N26-S31 VanDerWaalsContact O-N 3.15Å; N26-S31 VanDerWaalsContact O-O 3.05Å; N26-S31 PolarHBondContact OD1-O 3.44Å; L29-S31 VanDerWaalsContact CB-OG 3.28Å; L29-S31 WeakPolarHBondContact CB-OG 3.41Å; S31-D33 WeakPolarHBondContact CB-OD2 3Å; S31-D33 PolarHBondContact OG-OD2 2.9Å
32T90.8Very high91.3Very high96 Ų9649.2 Ų49.259%0.58929%0.294SS*.  trans-108.953.1179.550.50000111.7W190T32-W190 HydrophobicContact CG2-CH2 3.38Å; T32-W190 HydrophobicContact CG2-CZ2 3.37Å
33D91.1Very high91Very high92 Ų9251.4 Ų51.449%0.49230%0.304SS..  trans-71.6-31.5-179.5-66.5-72.1000112.6N26 L29 S31N26-D33 PolarHBondContact OD1-N 3.11Å; N26-D33 VanDerWaalsContact OD1-N 3.17Å; L29-D33 HydrophobicContact CD1-CB 4.13Å; S31-D33 WeakPolarHBondContact CB-OD2 3Å; S31-D33 PolarHBondContact OG-OD2 2.9Å
34F94.5Very high90.8Very high11 Ų1150.4 Ų50.45%0.04830%0.296CS..SBendtrans-100.1131.1-179.5-50-53.5000111.3N26 L29 S36 S48 V72 D74N26-F34 PolarHBondContact ND2-O 3.1Å; N26-F34 WeakPolarHBondContact OD1-CB 3.49Å; N26-F34 WeakPolarHBondContact OD1-CD2 3.46Å; N26-F34 PolarHBondContact OD1-N 3.42Å; L29-F34 HydrophobicContact CD1-CD2 4.23Å; L29-F34 HydrophobicContact CD1-CE2 3.42Å; L29-F34 VanDerWaalsContact CD1-CE2 3.42Å; L29-F34 HydrophobicContact CD1-CZ 3.7Å; L29-F34 HydrophobicContact CG-CE2 4.48Å; F34-S36 PolarHBondContact O-N 3.21Å; F34-S36 VanDerWaalsContact O-N 3.11Å; F34-S48 VanDerWaalsContact CE1-O 3.31Å; F34-S48 WeakPolarHBondContact CE1-O 3.4Å; F34-V72 HydrophobicContact CE2-CB 4.21Å; F34-V72 HydrophobicContact CE2-CG1 4.18Å; F34-V72 HydrophobicContact CZ-CB 4.32Å; F34-V72 HydrophobicContact CZ-CG1 4.49Å; F34-V72 WeakPolarHBondContact CZ-O 3.37Å; F34-D74 HydrophobicContact CD1-CB 3.75Å; F34-D74 HydrophobicContact CD2-CB 4.1Å; F34-D74 HydrophobicContact CE1-CB 3.76Å; F34-D74 HydrophobicContact CE2-CB 4.09Å; F34-D74 HydrophobicContact CG-CB 3.92Å; F34-D74 HydrophobicContact CZ-CB 3.93Å
35Y91.1Very high90.7Very high163 Ų16355.6 Ų55.664%0.63932%0.318SS*.  trans-67.7112.4171.8-178.3-104.1000110S37 I43Y35-S37 WeakPolarHBondContact OH-CB 3.36Å; Y35-I43 HydrophobicContact CD1-CG2 3.67Å; Y35-I43 HydrophobicContact CE1-CD1 4.23Å; Y35-I43 HydrophobicContact CE1-CG2 3.79Å
36S88.1Confident90.6Very high62 Ų6262.2 Ų62.243%0.43435%0.349SS..  trans-120.7116.9179.4-179.90000109.1F34F34-S36 PolarHBondContact O-N 3.21Å; F34-S36 VanDerWaalsContact O-N 3.11Å
37S87.1Confident90.8Very high49 Ų4962 Ų6234%0.34335%0.349SS..  trans-145.2145.7179-176.30000110.7Y35 S39 I43Y35-S37 WeakPolarHBondContact OH-CB 3.36Å; S37-S39 PolarHBondContact O-N 3.44Å; S37-I43 WeakPolarHBondContact O-CD1 3.45Å
38L86.3Confident91Very high153 Ų15362.6 Ų62.680%0.80136%0.357SS*.  trans-69.2124.6170-177.467000108.3
39S87.4Confident91.1Very high31 Ų3164 Ų6422%0.21736%0.364CS..  trans-148156.5174.781.40000110.7Q18 S37 G41 I43Q18-S39 PolarHBondContact NE2-O 2.81Å; Q18-S39 PolarHBondContact NE2-OG 3.38Å; S37-S39 PolarHBondContact O-N 3.44Å; S39-G41 PolarHBondContact O-N 3.45Å; S39-G41 VanDerWaalsContact O-N 3.08Å; S39-G41 PolarHBondContact OG-N 2.97Å; S39-G41 PolarHBondContact OG-O 3.11Å; S39-I43 WeakPolarHBondContact OG-CD1 3.25Å; S39-I43 VanDerWaalsContact OG-CG1 3.22Å; S39-I43 WeakPolarHBondContact OG-CG1 3.22Å
40P83.9Confident91.3Very high151 Ų15164.1 Ų64.198%0.98137%0.366SS*.SBendtrans-70.4-0.3178.430-36.2000113.4
41G85.2Confident91.5Very high16 Ų1668.9 Ų68.917%0.16537%0.374CS..SBendtrans-144.4-169.6-177.200000113.5Q18 S39Q18-G41 PolarHBondContact NE2-O 2.72Å; S39-G41 PolarHBondContact O-N 3.45Å; S39-G41 VanDerWaalsContact O-N 3.08Å; S39-G41 PolarHBondContact OG-N 2.97Å; S39-G41 PolarHBondContact OG-O 3.11Å
42S88.9Confident91.8Very high12 Ų1267.5 Ų67.58%0.08436%0.364CS..  trans-84.4131.5176.8-48.10000110.6T17 H80 S81T17-S42 WeakPolarHBondContact CG2-OG 3.42Å; T17-S42 PolarHBondContact OG1-OG 3.16Å; S42-H80 WeakPolarHBondContact CB-CD2 3.33Å; S42-H80 VanDerWaalsContact CB-CE1 3.42Å; S42-H80 WeakPolarHBondContact CB-CE1 3.15Å; S42-H80 WeakPolarHBondContact CB-NE2 3.44Å; S42-H80 WeakPolarHBondContact OG-CA 3.29Å; S42-S81 PolarHBondContact N-OG 2.96Å; S42-S81 PolarHBondContact OG-N 3.11Å; S42-S81 PolarHBondContact OG-OG 2.72Å
43I88.9Confident91.9Very high58 Ų5867 Ų6730%0.29736%0.363SS..  trans-101.5-54.1-178.7-56.5172.3000110.3Y35 S37 S39 K45Y35-I43 HydrophobicContact CD1-CG2 3.67Å; Y35-I43 HydrophobicContact CE1-CD1 4.23Å; Y35-I43 HydrophobicContact CE1-CG2 3.79Å; S37-I43 WeakPolarHBondContact O-CD1 3.45Å; S39-I43 WeakPolarHBondContact OG-CD1 3.25Å; S39-I43 VanDerWaalsContact OG-CG1 3.22Å; S39-I43 WeakPolarHBondContact OG-CG1 3.22Å; I43-K45 PolarHBondContact O-N 3.48Å
44T89.9Confident92Very high29 Ų2966.1 Ų66.118%0.17836%0.356CS..  trans-69.9111.1-179.5-44.70000110.5E46 P76 H80T44-E46 WeakPolarHBondContact CG2-O 3.27Å; T44-P76 WeakPolarHBondContact O-CA 3.33Å; T44-P76 WeakPolarHBondContact O-CB 3.28Å; T44-H80 PolarHBondContact O-NE2 3.49Å; T44-H80 VanDerWaalsContact O-NE2 3.15Å
45K93.3Very high91.9Very high110 Ų11066.6 Ų66.648%0.47836%0.359SS..  trans-104.1-24.7179.8-62.8-177.4-172.5172.40113.9I43 P76 L83I43-K45 PolarHBondContact O-N 3.48Å; K45-P76 VanDerWaalsContact C-CG 3.5Å; K45-P76 WeakPolarHBondContact O-CG 3.25Å; K45-L83 HydrophobicContact CB-CD1 4.35Å
46E95.4Very high91.9Very high139 Ų13965 Ų6565%0.6536%0.357SS*.SBendtrans-125.3155.4-177.3-67175.2-166.300108.6T44 E91T44-E46 WeakPolarHBondContact CG2-O 3.27Å; E46-E91 WeakPolarHBondContact CA-OE1 3.5Å
47C97.9Very high91.8Very high15 Ų1565.3 Ų65.310%0.10136%0.359CS..  trans-74.3151.7174.4-60.70000110.9L73 D74 E91 A95C47-L73 HydrophobicContact CB-CD1 3.99Å; C47-L73 HydrophobicContact CB-CG 4.33Å; C47-D74 CarbonylContact C-O 3.58Å; C47-D74 WeakPolarHBondContact CA-O 3.49Å; C47-E91 PolarHBondContact N-OE1 3.47Å; C47-A95 HydrophobicContact CB-CB 3.36Å
48S97.7Very high91.9Very high58 Ų5864.7 Ų64.741%0.40635%0.35SS..EExtended strand (participates in β ladder)trans-141.5133177-67.70000110.5F34 L73 D74F34-S48 VanDerWaalsContact CE1-O 3.31Å; F34-S48 WeakPolarHBondContact CE1-O 3.4Å; S48-L73 WeakPolarHBondContact O-CA 3.47Å; S48-D74 PolarHBondContact N-O 2.98Å; S48-D74 PolarHBondContact O-N 3.32Å
49L98.2Very high91.9Very high31 Ų3159.5 Ų59.516%0.16232%0.322CS..EExtended strand (participates in β ladder)trans-100.7115.8179.4-174.576.6000110.6R51 Q71 V72 L73 H99 F100L49-R51 VanDerWaalsContact CD2-CZ 3.48Å; L49-Q71 HydrophobicContact CD1-CB 4.14Å; L49-V72 WeakPolarHBondContact CA-O 3.3Å; L49-L73 HydrophobicContact CB-CD1 4.21Å; L49-L73 HydrophobicContact CD1-CB 4.27Å; L49-L73 HydrophobicContact CD1-CD1 4.31Å; L49-H99 HydrophobicContact CD1-CB 4.41Å; L49-H99 HydrophobicContact CD2-CB 4.09Å; L49-F100 HydrophobicContact CD1-CE1 3.71Å; L49-F100 HydrophobicContact CD1-CZ 3.66Å
50G98Very high91.9Very high4 Ų466.7 Ų66.74%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-101.1154.6170.600000111.5Q71 V72G50-Q71 WeakPolarHBondContact O-CA 3.44Å; G50-V72 PolarHBondContact N-O 3.21Å; G50-V72 PolarHBondContact O-N 3.15Å
51R97.7Very high91.8Very high133 Ų13366.6 Ų66.650%0.50233%0.325SS..EExtended strand (participates in β ladder)trans-134.3129.3-179.9-60.1-173.7177.183.8-6.7110.6L49 I70 Q71L49-R51 VanDerWaalsContact CD2-CZ 3.48Å; R51-I70 CarbonylContact C-O 3.58Å; R51-I70 WeakPolarHBondContact CA-O 3.31Å; R51-Q71 HydrophobicContact CG-CG 4.08Å
52S95.9Very high91.6Very high5 Ų569.8 Ų69.84%0.03536%0.358CS..PPolyproline II helixtrans-72161.4178.976.50000111.2L29 Q69 I70L29-S52 WeakPolarHBondContact O-CB 3.37Å; S52-Q69 PolarHBondContact O-NE2 3.12Å; S52-I70 PolarHBondContact N-O 2.68Å; S52-I70 PolarHBondContact OG-N 3.24Å
53C92.9Very high91.4Very high84 Ų8472.6 Ų72.657%0.56839%0.389SS*.PPolyproline II helixtrans-57.916315659.80000111L55C53-L55 PolarHBondContact O-N 2.89Å
54H93.9Very high91.3Very high74 Ų7474.8 Ų74.834%0.34340%0.398SS..PPolyproline II helixtrans-71.7121.6174.8-67.4160000110.3K6 H56 T67K6-H54 PolarHBondContact NZ-NE2 2.94Å; H54-H56 PolarHBondContact O-N 2.84Å; H54-T67 HydrophobicContact CB-CG2 3.61Å
55L91.9Very high91.3Very high22 Ų2277.4 Ų77.412%0.11541%0.408CS..EExtended strand (participates in β ladder)trans-88.194.3171.2-69.1134.6000107.7C53 F58 T67 L68 I70 I196 L199C53-L55 PolarHBondContact O-N 2.89Å; L55-F58 HydrophobicContact CB-CB 4.25Å; L55-F58 HydrophobicContact CB-CD2 4.31Å; L55-F58 HydrophobicContact CD2-CD2 4.47Å; L55-T67 WeakPolarHBondContact O-CA 3.42Å; L55-L68 HydrophobicContact CB-CB 4.19Å; L55-L68 HydrophobicContact CD1-CG 4.46Å; L55-L68 PolarHBondContact N-O 3.39Å; L55-L68 PolarHBondContact O-N 3.22Å; L55-I70 HydrophobicContact CD1-CG1 4.24Å; L55-I196 HydrophobicContact CD2-CD1 3.88Å; L55-L199 HydrophobicContact CD1-CD1 4Å
56H90.6Very high91.2Very high130 Ų13073 Ų7360%0.60239%0.389SS*.EExtended strand (participates in β ladder)trans-68.6146.3176.6-64-71.7000111.2H54 F58 T67H54-H56 PolarHBondContact O-N 2.84Å; H56-F58 PolarHBondContact O-N 2.84Å; H56-T67 PolarHBondContact ND1-OG1 2.87Å
57S87.8Confident91.1Very high67 Ų6767.2 Ų67.247%0.46936%0.364SS..EExtended strand (participates in β ladder)trans53.531.2175.4-44.90000113.5M59 E65S57-M59 VanDerWaalsContact C-N 3.34Å; S57-M59 PolarHBondContact O-N 3.05Å; S57-E65 WeakPolarHBondContact CB-OE2 3.31Å; S57-E65 PolarHBondContact OG-OE2 3.05Å
58F88.1Confident90.9Very high36 Ų3666.6 Ų66.616%0.15836%0.359CS..EExtended strand (participates in β ladder)trans-65.3-38.9-177.7-179.5-89.7000111.8L55 H56 I66 L68 I196 L199 E200 M203L55-F58 HydrophobicContact CB-CB 4.25Å; L55-F58 HydrophobicContact CB-CD2 4.31Å; L55-F58 HydrophobicContact CD2-CD2 4.47Å; H56-F58 PolarHBondContact O-N 2.84Å; F58-I66 PolarHBondContact N-O 3.41Å; F58-L68 HydrophobicContact CB-CB 3.96Å; F58-L68 HydrophobicContact CB-CD2 4.46Å; F58-L68 HydrophobicContact CD1-CB 4.31Å; F58-L68 HydrophobicContact CD1-CD2 3.47Å; F58-L68 VanDerWaalsContact CD1-CD2 3.47Å; F58-L68 HydrophobicContact CD2-CD2 3.98Å; F58-L68 HydrophobicContact CE1-CD2 3.6Å; F58-L68 HydrophobicContact CE2-CD2 4.08Å; F58-L68 HydrophobicContact CG-CB 4.09Å; F58-L68 HydrophobicContact CG-CD2 3.68Å; F58-L68 HydrophobicContact CZ-CD2 3.9Å; F58-I196 HydrophobicContact CD2-CD1 4.26Å; F58-I196 HydrophobicContact CE2-CD1 4.06Å; F58-L199 HydrophobicContact CE2-CB 3.83Å; F58-L199 HydrophobicContact CE2-CD1 4.25Å; F58-L199 HydrophobicContact CZ-CB 3.7Å; F58-E200 HydrophobicContact CZ-CG 4.25Å; F58-M203 HydrophobicContact CE1-CG 3.8Å; F58-M203 HydrophobicContact CZ-CG 4.33Å
59M86.9Confident90.8Very high44 Ų4465 Ų6522%0.21735%0.345CS..EExtended strand (participates in β ladder)trans-150170.2175.165.2174.26700111.5S57 I66 M203S57-M59 VanDerWaalsContact C-N 3.34Å; S57-M59 PolarHBondContact O-N 3.05Å; M59-I66 HydrophobicContact CG-CB 3.93Å; M59-I66 HydrophobicContact CG-CG1 4.23Å; M59-I66 HydrophobicContact CG-CG2 4.42Å; M59-I66 PolarHBondContact O-N 2.87Å; M59-M203 HydrophobicContact CE-CB 3.94Å; M59-M203 HydrophobicContact CE-CE 3.56Å; M59-M203 HydrophobicContact CE-CG 3.62Å; M59-M203 HydrophobicContact CE-SD 4.19Å; M59-M203 HydrophobicContact SD-CE 4.4Å
60R87.6Confident90.8Very high182 Ų18263.6 Ų63.669%0.68734%0.338SS*.EExtended strand (participates in β ladder)trans-115.3134.5172-70.6-176.6174.2-178.1-1.8111.4Q64 E65R60-Q64 CarbonylContact C-O 3.56Å; R60-Q64 WeakPolarHBondContact CA-O 3.39Å; R60-E65 HydrophobicContact CG-CG 4.14Å; R60-E65 IonicContact CZ-OE1 2.82Å; R60-E65 IonicContact NE-OE1 2.72Å; R60-E65 IonicContact NH2-OE1 3.72Å; R60-E65 PolarHBondContact NH2-OE1 3.42Å
61R80.8Confident90.8Very high150 Ų15064 Ų6457%0.56634%0.339SS*.EExtended strand (participates in β ladder)trans-131.8123.8173-169.7178.1-179.3-179.50.7108.8G63 Q64 I66R61-G63 PolarHBondContact O-N 3.5Å; R61-Q64 PolarHBondContact N-O 2.76Å; R61-Q64 PolarHBondContact O-N 3.45Å; R61-Q64 VanDerWaalsContact O-N 3.11Å; R61-I66 HydrophobicContact CB-CD1 4.25Å; R61-I66 HydrophobicContact CB-CG1 4.03Å
62G82.2Confident90.9Very high83 Ų8357.7 Ų57.786%0.85632%0.315SS*.THydrogen-bonded Turntrans59.333-17800000114Q64G62-Q64 VanDerWaalsContact C-N 3.26Å; G62-Q64 PolarHBondContact O-N 3.38Å
63G83.8Confident91Very high71 Ų7157.4 Ų57.473%0.73231%0.313SS*.THydrogen-bonded Turntrans79.50.7-178.500000115.2R61R61-G63 PolarHBondContact O-N 3.5Å
64Q86.8Confident91.3Very high104 Ų10453.6 Ų53.649%0.48629%0.287SS..EExtended strand (participates in β ladder)trans-107.5142.3179.9-60-173.20.200111.8N5 R60 R61 G62N5-Q64 WeakPolarHBondContact ND2-CB 3.41Å; N5-Q64 PolarHBondContact ND2-OE1 3.08Å; N5-Q64 PolarHBondContact OD1-OE1 2.99Å; R60-Q64 CarbonylContact C-O 3.56Å; R60-Q64 WeakPolarHBondContact CA-O 3.39Å; R61-Q64 PolarHBondContact N-O 2.76Å; R61-Q64 PolarHBondContact O-N 3.45Å; R61-Q64 VanDerWaalsContact O-N 3.11Å; G62-Q64 VanDerWaalsContact C-N 3.26Å; G62-Q64 PolarHBondContact O-N 3.38Å
65E90.4Very high91.5Very high84 Ų8450.1 Ų50.139%0.39327%0.271SS..EExtended strand (participates in β ladder)trans-74.3133174.6-65.5-171.8173.700110.6N5 S57 R60N5-E65 VanDerWaalsContact CB-O 3.27Å; N5-E65 WeakPolarHBondContact CB-O 3.37Å; N5-E65 PolarHBondContact ND2-O 3.37Å; S57-E65 WeakPolarHBondContact CB-OE2 3.31Å; S57-E65 PolarHBondContact OG-OE2 3.05Å; R60-E65 HydrophobicContact CG-CG 4.14Å; R60-E65 IonicContact CZ-OE1 2.82Å; R60-E65 IonicContact NE-OE1 2.72Å; R60-E65 IonicContact NH2-OE1 3.72Å; R60-E65 PolarHBondContact NH2-OE1 3.42Å
66I90.4Very high91.7Very high16 Ų1649.1 Ų49.18%0.08227%0.266CS..EExtended strand (participates in β ladder)trans-105.2128.8-179.3-56.9-58.7000109.4N5 M7 F58 M59 R61N5-I66 HydrophobicContact CB-CD1 4.09Å; N5-I66 WeakPolarHBondContact O-CA 3.5Å; M7-I66 HydrophobicContact CB-CG2 3.65Å; F58-I66 PolarHBondContact N-O 3.41Å; M59-I66 HydrophobicContact CG-CB 3.93Å; M59-I66 HydrophobicContact CG-CG1 4.23Å; M59-I66 HydrophobicContact CG-CG2 4.42Å; M59-I66 PolarHBondContact O-N 2.87Å; R61-I66 HydrophobicContact CB-CD1 4.25Å; R61-I66 HydrophobicContact CB-CG1 4.03Å
67T92.9Very high91.9Very high19 Ų1943.1 Ų43.112%0.11724%0.239CC..EExtended strand (participates in β ladder)trans-87.2119.8168.3-62.50000108.8N5 K6 M7 H54 L55 H56N5-T67 PolarHBondContact O-N 2.94Å; K6-T67 CarbonylContact C-O 3.41Å; K6-T67 WeakPolarHBondContact CA-O 3.34Å; M7-T67 PolarHBondContact N-O 3.37Å; H54-T67 HydrophobicContact CB-CG2 3.61Å; L55-T67 WeakPolarHBondContact O-CA 3.42Å; H56-T67 PolarHBondContact ND1-OG1 2.87Å
68L94.6Very high92.2Very high1 Ų141.9 Ų41.91%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-99.4136.6-178.918062.7000111M7 I9 L55 F58 I70 M203M7-L68 HydrophobicContact CB-CD1 4.36Å; M7-L68 HydrophobicContact CG-CD1 4.28Å; M7-L68 CarbonylContact O-C 3.54Å; M7-L68 WeakPolarHBondContact O-CA 3.38Å; I9-L68 HydrophobicContact CB-CD1 4.33Å; I9-L68 HydrophobicContact CG1-CD1 3.67Å; L55-L68 HydrophobicContact CB-CB 4.19Å; L55-L68 HydrophobicContact CD1-CG 4.46Å; L55-L68 PolarHBondContact N-O 3.39Å; L55-L68 PolarHBondContact O-N 3.22Å; F58-L68 HydrophobicContact CB-CB 3.96Å; F58-L68 HydrophobicContact CB-CD2 4.46Å; F58-L68 HydrophobicContact CD1-CB 4.31Å; F58-L68 HydrophobicContact CD1-CD2 3.47Å; F58-L68 VanDerWaalsContact CD1-CD2 3.47Å; F58-L68 HydrophobicContact CD2-CD2 3.98Å; F58-L68 HydrophobicContact CE1-CD2 3.6Å; F58-L68 HydrophobicContact CE2-CD2 4.08Å; F58-L68 HydrophobicContact CG-CB 4.09Å; F58-L68 HydrophobicContact CG-CD2 3.68Å; F58-L68 HydrophobicContact CZ-CD2 3.9Å; L68-I70 HydrophobicContact CD1-CD1 3.92Å; L68-I70 HydrophobicContact CD2-CD1 3.73Å; L68-I70 HydrophobicContact CG-CD1 3.7Å; L68-I70 HydrophobicContact CG-CG1 4.45Å; L68-M203 HydrophobicContact CD1-SD 4.49Å; L68-M203 HydrophobicContact CD2-CG 4.49Å; L68-M203 HydrophobicContact CD2-SD 4.47Å
69Q96.3Very high92.4Very high25 Ų2541.9 Ų41.912%0.11723%0.228CC..EExtended strand (participates in β ladder)trans-123.9127.9166.5-174.3171.532.500109.4M7 I8 I9 S52M7-Q69 PolarHBondContact O-N 3.04Å; I8-Q69 WeakPolarHBondContact CA-O 3.43Å; I8-Q69 HydrophobicContact CG1-CB 4.37Å; I9-Q69 PolarHBondContact N-O 3.38Å; S52-Q69 PolarHBondContact O-NE2 3.12Å
70I97.5Very high92.8Very high1 Ų140.6 Ų40.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-97.8133.6177.4-51.8-58.3000109I9 L11 R51 S52 L55 L68 V72 L199I9-I70 HydrophobicContact CB-CD1 4Å; I9-I70 HydrophobicContact CG2-CD1 4.39Å; L11-I70 HydrophobicContact CD1-CG2 3.77Å; L11-I70 HydrophobicContact CG-CG2 4.39Å; R51-I70 CarbonylContact C-O 3.58Å; R51-I70 WeakPolarHBondContact CA-O 3.31Å; S52-I70 PolarHBondContact N-O 2.68Å; S52-I70 PolarHBondContact OG-N 3.24Å; L55-I70 HydrophobicContact CD1-CG1 4.24Å; L68-I70 HydrophobicContact CD1-CD1 3.92Å; L68-I70 HydrophobicContact CD2-CD1 3.73Å; L68-I70 HydrophobicContact CG-CD1 3.7Å; L68-I70 HydrophobicContact CG-CG1 4.45Å; I70-V72 HydrophobicContact CG2-CG2 3.77Å; I70-L199 HydrophobicContact CD1-CD2 3.89Å; I70-L199 HydrophobicContact CG1-CD1 4.44Å; I70-L199 HydrophobicContact CG1-CD2 3.82Å
71Q98.4Very high93Very high13 Ų1335.4 Ų35.46%0.06121%0.212CC..EExtended strand (participates in β ladder)trans-113.2130.7164.8-50.7-166.8-4.500108.5I8 I9 N10 L11 L49 G50 R51 F100I8-Q71 HydrophobicContact CG2-CG 3.83Å; I9-Q71 PolarHBondContact O-N 3.44Å; N10-Q71 PolarHBondContact OD1-OE1 3.08Å; L11-Q71 PolarHBondContact N-O 3.05Å; L49-Q71 HydrophobicContact CD1-CB 4.14Å; G50-Q71 WeakPolarHBondContact O-CA 3.44Å; R51-Q71 HydrophobicContact CG-CG 4.08Å; Q71-F100 HydrophobicContact CB-CE1 4.43Å
72V98.7Very high93.7Very high0 Ų035.3 Ų35.30%022%0.216CC..EExtended strand (participates in β ladder)trans-122.3125.1178.2-175.30000108.8L11 V13 L28 L29 F34 L49 G50 I70L11-V72 HydrophobicContact CB-CG2 4.42Å; L11-V72 HydrophobicContact CD1-CG2 4.38Å; L11-V72 CarbonylContact O-C 3.59Å; L11-V72 WeakPolarHBondContact O-CA 3.37Å; V13-V72 HydrophobicContact CG1-CG1 3.94Å; V13-V72 HydrophobicContact CG2-CG1 4.26Å; L28-V72 HydrophobicContact CB-CG2 3.95Å; L28-V72 HydrophobicContact CD1-CG2 4.14Å; L29-V72 HydrophobicContact CD1-CB 4.45Å; L29-V72 HydrophobicContact CD2-CB 4.19Å; L29-V72 HydrophobicContact CD2-CG2 3.8Å; L29-V72 HydrophobicContact CG-CB 4.28Å; L29-V72 HydrophobicContact CG-CG2 3.96Å; F34-V72 HydrophobicContact CE2-CB 4.21Å; F34-V72 HydrophobicContact CE2-CG1 4.18Å; F34-V72 HydrophobicContact CZ-CB 4.32Å; F34-V72 HydrophobicContact CZ-CG1 4.49Å; F34-V72 WeakPolarHBondContact CZ-O 3.37Å; L49-V72 WeakPolarHBondContact CA-O 3.3Å; G50-V72 PolarHBondContact N-O 3.21Å; G50-V72 PolarHBondContact O-N 3.15Å; I70-V72 HydrophobicContact CG2-CG2 3.77Å
73L98.6Very high94.3Very high0 Ų033.7 Ų33.70%019%0.188CC..EExtended strand (participates in β ladder)trans-92.1105.8168.1-171.370.5000108.8L11 A12 V13 C47 S48 L49 T75 A95 L96 F100L11-L73 PolarHBondContact O-N 3.36Å; A12-L73 WeakPolarHBondContact CA-O 3.43Å; A12-L73 HydrophobicContact CB-CB 4.15Å; A12-L73 HydrophobicContact CB-CD2 4.47Å; V13-L73 WeakPolarHBondContact CG2-O 3.38Å; V13-L73 PolarHBondContact N-O 3.18Å; C47-L73 HydrophobicContact CB-CD1 3.99Å; C47-L73 HydrophobicContact CB-CG 4.33Å; S48-L73 WeakPolarHBondContact O-CA 3.47Å; L49-L73 HydrophobicContact CB-CD1 4.21Å; L49-L73 HydrophobicContact CD1-CB 4.27Å; L49-L73 HydrophobicContact CD1-CD1 4.31Å; L73-T75 HydrophobicContact CG-CG2 4.47Å; L73-A95 HydrophobicContact CD1-CB 4.21Å; L73-A95 HydrophobicContact CD2-CB 4.04Å; L73-L96 HydrophobicContact CD2-CD2 3.8Å; L73-L96 HydrophobicContact CD2-CG 4.17Å; L73-F100 HydrophobicContact CB-CE2 3.76Å; L73-F100 HydrophobicContact CB-CZ 3.89Å; L73-F100 HydrophobicContact CD2-CE2 4.17Å
74D98.4Very high94.9Very high4 Ų432.9 Ų32.92%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-74.3136.4168-16931.3000109.7V13 S22 F34 C47 S48V13-D74 HydrophobicContact CG2-CB 4.29Å; V13-D74 WeakPolarHBondContact CG2-OD1 3.3Å; S22-D74 WeakPolarHBondContact CB-OD2 3.49Å; S22-D74 PolarHBondContact OG-OD1 2.83Å; S22-D74 PolarHBondContact OG-OD2 2.88Å; F34-D74 HydrophobicContact CD1-CB 3.75Å; F34-D74 HydrophobicContact CD2-CB 4.1Å; F34-D74 HydrophobicContact CE1-CB 3.76Å; F34-D74 HydrophobicContact CE2-CB 4.09Å; F34-D74 HydrophobicContact CG-CB 3.92Å; F34-D74 HydrophobicContact CZ-CB 3.93Å; C47-D74 CarbonylContact C-O 3.58Å; C47-D74 WeakPolarHBondContact CA-O 3.49Å; S48-D74 PolarHBondContact N-O 2.98Å; S48-D74 PolarHBondContact O-N 3.32Å
75T97.9Very high95.2Very high1 Ų129.5 Ų29.51%0.00616%0.155CC..  trans-123.2152.5-174.4730000111.6V13 F14 K21 L73 G77 V92V13-T75 WeakPolarHBondContact O-CB 3.29Å; V13-T75 WeakPolarHBondContact O-CG2 3.24Å; V13-T75 PolarHBondContact O-OG1 2.97Å; F14-T75 HydrophobicContact CE1-CG2 4.49Å; K21-T75 WeakPolarHBondContact CE-O 3.4Å; L73-T75 HydrophobicContact CG-CG2 4.47Å; T75-G77 PolarHBondContact O-N 3.34Å; T75-V92 HydrophobicContact CG2-CG1 4.07Å; T75-V92 HydrophobicContact CG2-CG2 4.17Å
76P97Very high95.5Very high1 Ų129.5 Ų29.51%0.00616%0.156CC..  trans-56.6137.3169-24.435.1000111.4T44 K45 V88 E91T44-P76 WeakPolarHBondContact O-CA 3.33Å; T44-P76 WeakPolarHBondContact O-CB 3.28Å; K45-P76 VanDerWaalsContact C-CG 3.5Å; K45-P76 WeakPolarHBondContact O-CG 3.25Å; P76-V88 HydrophobicContact CB-CG1 4.2Å; P76-V88 HydrophobicContact CB-CG2 4.36Å; P76-E91 HydrophobicContact CG-CG 4.33Å
77G94.1Very high95.8Very high3 Ų334.4 Ų34.43%0.03118%0.178CC..  trans-74.2143.8176.400000112.2G15 T75 P79 H80G15-G77 VanDerWaalsContact O-CA 3.27Å; G15-G77 WeakPolarHBondContact O-CA 3.15Å; T75-G77 PolarHBondContact O-N 3.34Å; G77-P79 CarbonylContact O-C 3.42Å; G77-H80 VanDerWaalsContact O-CB 3.25Å; G77-H80 WeakPolarHBondContact O-CB 3.44Å; G77-H80 PolarHBondContact O-CD2 2.82Å
78Y94.8Very high96.1Very high42 Ų4233.5 Ų33.517%0.16517%0.172CC..SBendtrans-127.6133.5172.2-166.9-106000111.6G15 R16 H80 M85 V88 N125 P126G15-Y78 PolarHBondContact O-N 3.28Å; R16-Y78 WeakPolarHBondContact CA-O 3.41Å; Y78-H80 HydrophobicContact CD2-CB 4.37Å; Y78-M85 HydrophobicContact CD1-CG 4.27Å; Y78-M85 HydrophobicContact CE1-CB 3.96Å; Y78-M85 HydrophobicContact CE1-CG 3.85Å; Y78-M85 HydrophobicContact CE1-SD 4.04Å; Y78-M85 HydrophobicContact CE2-CB 3.83Å; Y78-M85 HydrophobicContact CE2-CG 4.42Å; Y78-V88 HydrophobicContact CD2-CG2 4.26Å; Y78-N125 HydrophobicContact CD1-CB 3.74Å; Y78-N125 HydrophobicContact CE1-CB 3.8Å; Y78-P126 WeakPolarHBondContact O-CG 3.49Å
79P93.4Very high96.2Very high35 Ų3535.4 Ų35.423%0.22718%0.18CC..SBendcis-55.7142.7-2.8-26.236.3000114.4T17 G77 E122 N125T17-P79 PolarHBondContact OG1-O 3.1Å; G77-P79 CarbonylContact O-C 3.42Å; P79-E122 HydrophobicContact CG-CB 4.27Å; P79-E122 HydrophobicContact CG-CG 4.2Å; P79-N125 HydrophobicContact CG-CB 4.41Å
80H94.3Very high96.3Very high18 Ų1839.4 Ų39.48%0.08320%0.199CC..  trans-110.3137.9179.1-165.4-86.9000109.8S42 T44 G77 Y78 K82 L83 V88S42-H80 WeakPolarHBondContact CB-CD2 3.33Å; S42-H80 VanDerWaalsContact CB-CE1 3.42Å; S42-H80 WeakPolarHBondContact CB-CE1 3.15Å; S42-H80 WeakPolarHBondContact CB-NE2 3.44Å; S42-H80 WeakPolarHBondContact OG-CA 3.29Å; T44-H80 PolarHBondContact O-NE2 3.49Å; T44-H80 VanDerWaalsContact O-NE2 3.15Å; G77-H80 VanDerWaalsContact O-CB 3.25Å; G77-H80 WeakPolarHBondContact O-CB 3.44Å; G77-H80 PolarHBondContact O-CD2 2.82Å; Y78-H80 HydrophobicContact CD2-CB 4.37Å; H80-K82 PolarHBondContact ND1-N 3.39Å; H80-K82 VanDerWaalsContact ND1-N 3.13Å; H80-K82 PolarHBondContact O-N 3.12Å; H80-L83 HydrophobicContact CB-CB 3.96Å; H80-L83 WeakPolarHBondContact ND1-CB 3.45Å; H80-L83 WeakPolarHBondContact ND1-CG 3.26Å; H80-L83 PolarHBondContact ND1-N 2.91Å; H80-L83 VanDerWaalsContact ND1-N 3.12Å; H80-V88 HydrophobicContact CB-CG2 4.15Å
81S93Very high96.3Very high72 Ų7241.8 Ų41.850%0.50321%0.21SC..SBendtrans-73.2-10.5-174.3710000114.4S42S42-S81 PolarHBondContact N-OG 2.96Å; S42-S81 PolarHBondContact OG-N 3.11Å; S42-S81 PolarHBondContact OG-OG 2.72Å
82K94.5Very high96.3Very high149 Ų14941.1 Ų41.165%0.64821%0.207SC*.SBendtrans-136.5-6.9-175.7-60.9-178.8-178.2176.50114.7H80H80-K82 PolarHBondContact ND1-N 3.39Å; H80-K82 VanDerWaalsContact ND1-N 3.13Å; H80-K82 PolarHBondContact O-N 3.12Å
83L95.5Very high96.2Very high48 Ų4847.3 Ų47.325%0.25123%0.234SC..  trans-127.6140.3-172.1-61174.9000108.8K45 H80 H87 V88K45-L83 HydrophobicContact CB-CD1 4.35Å; H80-L83 HydrophobicContact CB-CB 3.96Å; H80-L83 WeakPolarHBondContact ND1-CB 3.45Å; H80-L83 WeakPolarHBondContact ND1-CG 3.26Å; H80-L83 PolarHBondContact ND1-N 2.91Å; H80-L83 VanDerWaalsContact ND1-N 3.12Å; L83-H87 HydrophobicContact CB-CB 4.46Å; L83-V88 HydrophobicContact CB-CG2 3.88Å; L83-V88 HydrophobicContact CD1-CG2 4.23Å
84S95.3Very high96.2Very high54 Ų5454.6 Ų54.638%0.37827%0.266SS..  trans-72.5163.817167.10000110.9E86 H87 V88S84-E86 VanDerWaalsContact C-N 3.28Å; S84-E86 PolarHBondContact O-N 3.47Å; S84-H87 PolarHBondContact O-N 3.34Å; S84-H87 PolarHBondContact OG-N 3.04Å; S84-H87 PolarHBondContact OG-ND1 2.8Å; S84-V88 PolarHBondContact O-N 2.84Å; S84-V88 VanDerWaalsContact O-N 3.13Å
85M94Very high96.2Very high33 Ų3354.7 Ų54.716%0.16327%0.267CS..Hα-helixtrans-53.6-44.2171.4-168.1173.617300112.8Y78 V88 K89 Q128 E132Y78-M85 HydrophobicContact CD1-CG 4.27Å; Y78-M85 HydrophobicContact CE1-CB 3.96Å; Y78-M85 HydrophobicContact CE1-CG 3.85Å; Y78-M85 HydrophobicContact CE1-SD 4.04Å; Y78-M85 HydrophobicContact CE2-CB 3.83Å; Y78-M85 HydrophobicContact CE2-CG 4.42Å; M85-V88 PolarHBondContact O-N 2.96Å; M85-K89 WeakPolarHBondContact O-CB 3.4Å; M85-K89 PolarHBondContact O-N 3.03Å; M85-Q128 HydrophobicContact CE-CB 4.36Å; M85-Q128 HydrophobicContact CE-CG 3.89Å; M85-E132 VanDerWaalsContact CE-OE1 3.24Å; M85-E132 WeakPolarHBondContact CE-OE1 3.25Å
86E96.3Very high96.2Very high85 Ų8554.7 Ų54.740%0.39727%0.267SS..Hα-helixtrans-63-46.7-176.8-171.656.7-146.300111.9S84 V88 K89 Q90S84-E86 VanDerWaalsContact C-N 3.28Å; S84-E86 PolarHBondContact O-N 3.47Å; E86-V88 PolarHBondContact O-N 3.38Å; E86-K89 PolarHBondContact O-N 3.29Å; E86-K89 WeakPolarHBondContact OE2-CE 3.41Å; E86-K89 IonicContact OE2-NZ 2.83Å; E86-K89 PolarHBondContact OE2-NZ 2.87Å; E86-Q90 WeakPolarHBondContact O-CB 3.48Å; E86-Q90 VanDerWaalsContact O-CG 3.3Å; E86-Q90 WeakPolarHBondContact O-CG 3.34Å; E86-Q90 PolarHBondContact O-N 3.2Å; E86-Q90 WeakPolarHBondContact OE1-CG 3.45Å; E86-Q90 PolarHBondContact OE1-NE2 3.49Å
87H97.3Very high96.2Very high118 Ų11857.3 Ų57.355%0.54628%0.283SS..Hα-helixtrans-56.8-47.1172.6-74.695.8000112.9L83 S84 K89 Q90 E91L83-H87 HydrophobicContact CB-CB 4.46Å; S84-H87 PolarHBondContact O-N 3.34Å; S84-H87 PolarHBondContact OG-N 3.04Å; S84-H87 PolarHBondContact OG-ND1 2.8Å; H87-K89 PolarHBondContact O-N 3.32Å; H87-Q90 PolarHBondContact O-N 3.13Å; H87-E91 WeakPolarHBondContact O-CB 3.4Å; H87-E91 PolarHBondContact O-N 2.82Å
88V97.6Very high96.4Very high0 Ų064 Ų640%031%0.313CS..Hα-helixtrans-62-45.6177.9173.20000110.5P76 Y78 H80 L83 S84 M85 E86 Q90 E91 V92 L129P76-V88 HydrophobicContact CB-CG1 4.2Å; P76-V88 HydrophobicContact CB-CG2 4.36Å; Y78-V88 HydrophobicContact CD2-CG2 4.26Å; H80-V88 HydrophobicContact CB-CG2 4.15Å; L83-V88 HydrophobicContact CB-CG2 3.88Å; L83-V88 HydrophobicContact CD1-CG2 4.23Å; S84-V88 PolarHBondContact O-N 2.84Å; S84-V88 VanDerWaalsContact O-N 3.13Å; M85-V88 PolarHBondContact O-N 2.96Å; E86-V88 PolarHBondContact O-N 3.38Å; V88-Q90 PolarHBondContact O-N 2.95Å; V88-E91 PolarHBondContact O-N 3.31Å; V88-V92 HydrophobicContact CG1-CG2 4.26Å; V88-V92 VanDerWaalsContact O-CG2 3.25Å; V88-V92 WeakPolarHBondContact O-CG2 3.36Å; V88-V92 PolarHBondContact O-N 2.72Å; V88-L129 HydrophobicContact CG1-CD2 3.83Å
89K97.6Very high96.5Very high41 Ų4164.5 Ų64.518%0.17832%0.317CS..Hα-helixtrans-60.2-46.4178.2-178176.163.7-169.30112.2M85 E86 H87 V92 K93 L129 E132 L133M85-K89 WeakPolarHBondContact O-CB 3.4Å; M85-K89 PolarHBondContact O-N 3.03Å; E86-K89 PolarHBondContact O-N 3.29Å; E86-K89 WeakPolarHBondContact OE2-CE 3.41Å; E86-K89 IonicContact OE2-NZ 2.83Å; E86-K89 PolarHBondContact OE2-NZ 2.87Å; H87-K89 PolarHBondContact O-N 3.32Å; K89-V92 PolarHBondContact O-N 2.94Å; K89-K93 WeakPolarHBondContact O-CB 3.3Å; K89-K93 PolarHBondContact O-N 3.47Å; K89-L129 HydrophobicContact CB-CD1 3.7Å; K89-L129 HydrophobicContact CG-CD1 4.1Å; K89-E132 HydrophobicContact CD-CB 4.09Å; K89-E132 WeakPolarHBondContact CD-OE2 3.39Å; K89-E132 IonicContact NZ-OE2 3.84Å; K89-E132 PolarHBondContact NZ-OE2 3.26Å; K89-L133 HydrophobicContact CG-CD2 3.86Å; K89-L133 HydrophobicContact CG-CG 4.28Å
90Q97.9Very high96.7Very high110 Ų11062.8 Ų62.851%0.51431%0.306SS..Hα-helixtrans-64.1-43.6179.7-73.3177.40.700111.9E86 H87 V88 K93 K94E86-Q90 WeakPolarHBondContact O-CB 3.48Å; E86-Q90 VanDerWaalsContact O-CG 3.3Å; E86-Q90 WeakPolarHBondContact O-CG 3.34Å; E86-Q90 PolarHBondContact O-N 3.2Å; E86-Q90 WeakPolarHBondContact OE1-CG 3.45Å; E86-Q90 PolarHBondContact OE1-NE2 3.49Å; H87-Q90 PolarHBondContact O-N 3.13Å; V88-Q90 PolarHBondContact O-N 2.95Å; Q90-K93 PolarHBondContact O-N 2.85Å; Q90-K94 WeakPolarHBondContact O-CB 3.46Å; Q90-K94 PolarHBondContact O-N 2.85Å
91E97.9Very high96.7Very high50 Ų5063.2 Ų63.223%0.23432%0.315CS..Hα-helixtrans-60.2-49.1176.117453.3-155.900111.3E46 C47 P76 H87 V88 K94 A95E46-E91 WeakPolarHBondContact CA-OE1 3.5Å; C47-E91 PolarHBondContact N-OE1 3.47Å; P76-E91 HydrophobicContact CG-CG 4.33Å; H87-E91 WeakPolarHBondContact O-CB 3.4Å; H87-E91 PolarHBondContact O-N 2.82Å; V88-E91 PolarHBondContact O-N 3.31Å; E91-K94 PolarHBondContact O-N 3.44Å; E91-A95 WeakPolarHBondContact O-CB 3.42Å; E91-A95 PolarHBondContact O-N 3.45Å
92V98.1Very high96.7Very high0 Ų068.6 Ų68.60%033%0.332CS..Hα-helixtrans-66.6-42.2179.3-179.10000111.8F14 T75 V88 K89 K94 A95 L96 L133F14-V92 HydrophobicContact CE1-CG1 3.72Å; F14-V92 HydrophobicContact CZ-CG1 3.9Å; T75-V92 HydrophobicContact CG2-CG1 4.07Å; T75-V92 HydrophobicContact CG2-CG2 4.17Å; V88-V92 HydrophobicContact CG1-CG2 4.26Å; V88-V92 VanDerWaalsContact O-CG2 3.25Å; V88-V92 WeakPolarHBondContact O-CG2 3.36Å; V88-V92 PolarHBondContact O-N 2.72Å; K89-V92 PolarHBondContact O-N 2.94Å; V92-K94 VanDerWaalsContact C-N 3.34Å; V92-K94 PolarHBondContact O-N 2.61Å; V92-A95 PolarHBondContact O-N 2.85Å; V92-L96 HydrophobicContact CG1-CD1 3.93Å; V92-L96 HydrophobicContact CG1-CG 4.17Å; V92-L96 WeakPolarHBondContact O-CG 3.44Å; V92-L96 PolarHBondContact O-N 3.2Å; V92-L133 HydrophobicContact CB-CD1 4.01Å; V92-L133 HydrophobicContact CG1-CD1 3.65Å
93K97.8Very high96.7Very high130 Ų13065.8 Ų65.857%0.56532%0.324SS*.Hα-helixtrans-58-47.5176.4-175.5176.2179.7176.70111.2K89 Q90 A95 L96 V97 L133K89-K93 WeakPolarHBondContact O-CB 3.3Å; K89-K93 PolarHBondContact O-N 3.47Å; Q90-K93 PolarHBondContact O-N 2.85Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 2.87Å; K93-L96 PolarHBondContact O-N 3.3Å; K93-V97 WeakPolarHBondContact O-CG2 3.34Å; K93-V97 PolarHBondContact O-N 2.87Å; K93-L133 HydrophobicContact CB-CD2 3.68Å; K93-L133 HydrophobicContact CG-CD2 4.4Å
94K97.9Very high96.7Very high152 Ų15263.5 Ų63.566%0.66131%0.312SS*.Hα-helixtrans-59.7-44.2177.7179.9-175.6172.3-166.60111Q90 E91 V92 V97 H98Q90-K94 WeakPolarHBondContact O-CB 3.46Å; Q90-K94 PolarHBondContact O-N 2.85Å; E91-K94 PolarHBondContact O-N 3.44Å; V92-K94 VanDerWaalsContact C-N 3.34Å; V92-K94 PolarHBondContact O-N 2.61Å; K94-V97 PolarHBondContact O-N 3.29Å; K94-H98 WeakPolarHBondContact O-CB 3.35Å; K94-H98 PolarHBondContact O-N 2.82Å
95A98Very high96.9Very high7 Ų761 Ų616%0.05829%0.294CS..Hα-helixtrans-66.7-41179.600000112.9C47 L73 E91 V92 K93 H98 H99C47-A95 HydrophobicContact CB-CB 3.36Å; L73-A95 HydrophobicContact CD1-CB 4.21Å; L73-A95 HydrophobicContact CD2-CB 4.04Å; E91-A95 WeakPolarHBondContact O-CB 3.42Å; E91-A95 PolarHBondContact O-N 3.45Å; V92-A95 PolarHBondContact O-N 2.85Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 2.87Å; A95-H98 PolarHBondContact O-N 3.3Å; A95-H99 WeakPolarHBondContact O-CB 3.45Å; A95-H99 PolarHBondContact O-CD2 3.46Å; A95-H99 VanDerWaalsContact O-CD2 3.3Å; A95-H99 PolarHBondContact O-N 3.24Å
96L97.9Very high97.1Very high1 Ų160.5 Ų60.51%0.00529%0.292CS..Hα-helixtrans-61-47175.1-73.1170.3000111.5A12 F14 L73 V92 K93 F100 G101 F216A12-L96 HydrophobicContact CB-CD2 4.15Å; F14-L96 HydrophobicContact CZ-CD1 4.46Å; L73-L96 HydrophobicContact CD2-CD2 3.8Å; L73-L96 HydrophobicContact CD2-CG 4.17Å; V92-L96 HydrophobicContact CG1-CD1 3.93Å; V92-L96 HydrophobicContact CG1-CG 4.17Å; V92-L96 WeakPolarHBondContact O-CG 3.44Å; V92-L96 PolarHBondContact O-N 3.2Å; K93-L96 PolarHBondContact O-N 3.3Å; L96-F100 HydrophobicContact CD2-CD2 3.85Å; L96-F100 HydrophobicContact CD2-CE2 4.31Å; L96-F100 CarbonylContact O-C 3.59Å; L96-F100 VanDerWaalsContact O-CA 3.3Å; L96-F100 WeakPolarHBondContact O-CA 3.29Å; L96-F100 WeakPolarHBondContact O-CB 3.25Å; L96-F100 PolarHBondContact O-N 2.84Å; L96-G101 PolarHBondContact O-N 3.43Å; L96-F216 HydrophobicContact CB-CD1 4.14Å; L96-F216 HydrophobicContact CB-CD2 4.07Å; L96-F216 HydrophobicContact CB-CE1 4.08Å; L96-F216 HydrophobicContact CB-CE2 4.01Å; L96-F216 HydrophobicContact CB-CG 4.14Å; L96-F216 HydrophobicContact CB-CZ 4.02Å; L96-F216 HydrophobicContact CD1-CD1 4.46Å; L96-F216 HydrophobicContact CD1-CE1 3.77Å; L96-F216 HydrophobicContact CD1-CZ 3.91Å; L96-F216 HydrophobicContact CD2-CE2 4.05Å; L96-F216 HydrophobicContact CD2-CZ 3.85Å; L96-F216 HydrophobicContact CG-CE1 4.35Å; L96-F216 HydrophobicContact CG-CE2 4.47Å; L96-F216 HydrophobicContact CG-CZ 4.14Å
97V97.6Very high97.2Very high56 Ų5656.5 Ų56.534%0.33927%0.273SS..Hα-helixtrans-62.9-45.9175.6173.70000110.8K93 K94 G101 F216K93-V97 WeakPolarHBondContact O-CG2 3.34Å; K93-V97 PolarHBondContact O-N 2.87Å; K94-V97 PolarHBondContact O-N 3.29Å; V97-G101 VanDerWaalsContact O-CA 3.24Å; V97-G101 WeakPolarHBondContact O-CA 3.33Å; V97-G101 PolarHBondContact O-N 3.36Å; V97-F216 HydrophobicContact CG2-CB 3.8Å
98H97.4Very high97.3Very high142 Ų14250.9 Ų50.966%0.65725%0.247SC*.Hα-helixtrans-65.9-42.8-176.1179.555.8000113.1K94 A95K94-H98 WeakPolarHBondContact O-CB 3.35Å; K94-H98 PolarHBondContact O-N 2.82Å; A95-H98 PolarHBondContact O-N 3.3Å
99H97.3Very high97.3Very high53 Ų5351.1 Ų51.125%0.24525%0.248CC..Hα-helixtrans-94.2-32.7-174.3-67.2-55.1000113.7L49 A95L49-H99 HydrophobicContact CD1-CB 4.41Å; L49-H99 HydrophobicContact CD2-CB 4.09Å; A95-H99 WeakPolarHBondContact O-CB 3.45Å; A95-H99 PolarHBondContact O-CD2 3.46Å; A95-H99 VanDerWaalsContact O-CD2 3.3Å; A95-H99 PolarHBondContact O-N 3.24Å
100F97.1Very high97.4Very high0 Ų049.3 Ų49.30%024%0.241CC..Hα-helixtrans-121.910.5-173.7-55-33.7000113.2N10 A12 L49 Q71 L73 L96 Q102 G104 L105 F216N10-F100 HydrophobicContact CB-CD1 3.68Å; N10-F100 HydrophobicContact CB-CD2 4.47Å; N10-F100 HydrophobicContact CB-CE1 3.54Å; N10-F100 HydrophobicContact CB-CE2 4.33Å; N10-F100 HydrophobicContact CB-CG 4.19Å; N10-F100 HydrophobicContact CB-CZ 3.88Å; A12-F100 HydrophobicContact CB-CE2 4.43Å; L49-F100 HydrophobicContact CD1-CE1 3.71Å; L49-F100 HydrophobicContact CD1-CZ 3.66Å; Q71-F100 HydrophobicContact CB-CE1 4.43Å; L73-F100 HydrophobicContact CB-CE2 3.76Å; L73-F100 HydrophobicContact CB-CZ 3.89Å; L73-F100 HydrophobicContact CD2-CE2 4.17Å; L96-F100 HydrophobicContact CD2-CD2 3.85Å; L96-F100 HydrophobicContact CD2-CE2 4.31Å; L96-F100 CarbonylContact O-C 3.59Å; L96-F100 VanDerWaalsContact O-CA 3.3Å; L96-F100 WeakPolarHBondContact O-CA 3.29Å; L96-F100 WeakPolarHBondContact O-CB 3.25Å; L96-F100 PolarHBondContact O-N 2.84Å; F100-Q102 VanDerWaalsContact C-N 3.32Å; F100-Q102 PolarHBondContact O-N 3Å; F100-G104 WeakPolarHBondContact O-CA 3.47Å; F100-G104 PolarHBondContact O-N 3.4Å; F100-L105 HydrophobicContact CD2-CB 4.35Å; F100-L105 HydrophobicContact CD2-CD1 3.93Å; F100-L105 HydrophobicContact CE2-CD1 3.87Å; F100-F216 HydrophobicContact CB-CD2 4.25Å; F100-F216 HydrophobicContact CB-CE2 4.17Å
101G94.7Very high97.4Very high26 Ų2644 Ų4427%0.26822%0.216SC..THydrogen-bonded Turntrans-62.6-34.7179.100000114L96 V97L96-G101 PolarHBondContact O-N 3.43Å; V97-G101 VanDerWaalsContact O-CA 3.24Å; V97-G101 WeakPolarHBondContact O-CA 3.33Å; V97-G101 PolarHBondContact O-N 3.36Å
102Q93.3Very high97.3Very high186 Ų18642.1 Ų42.187%0.86921%0.207SC*.THydrogen-bonded Turntrans-90.9-39.3177.8-66.1-173-8.800113.1F100F100-Q102 VanDerWaalsContact C-N 3.32Å; F100-Q102 PolarHBondContact O-N 3Å
103D93.4Very high97.2Very high90 Ų9044.8 Ų44.848%0.48122%0.217SC..THydrogen-bonded Turntrans-95-14.8-171.8-61.8-34.3000113.4N10N10-D103 VanDerWaalsContact ND2-CB 3.28Å; N10-D103 WeakPolarHBondContact ND2-CB 3.21Å
104G97.3Very high97.1Very high0 Ų039 Ų390%019%0.193CC..  trans70.4160.6-177.100000114.7N10 F100 L214N10-G104 WeakPolarHBondContact CB-O 3.32Å; N10-G104 PolarHBondContact ND2-O 2.95Å; F100-G104 WeakPolarHBondContact O-CA 3.47Å; F100-G104 PolarHBondContact O-N 3.4Å; G104-L214 CarbonylContact C-O 3.4Å; G104-L214 VanDerWaalsContact CA-O 3.29Å; G104-L214 WeakPolarHBondContact CA-O 3.48Å
105L98.3Very high96.8Very high0 Ų034.9 Ų34.90%018%0.179CC..BIsolated β-bridgetrans-88.9127.6173.3176.273.2000110N10 A12 F100 A108 L134 V213 L214 F216N10-L105 WeakPolarHBondContact O-CD1 3.35Å; A12-L105 HydrophobicContact CB-CD1 3.75Å; F100-L105 HydrophobicContact CD2-CB 4.35Å; F100-L105 HydrophobicContact CD2-CD1 3.93Å; F100-L105 HydrophobicContact CE2-CD1 3.87Å; L105-A108 HydrophobicContact CD2-CB 4.23Å; L105-L134 HydrophobicContact CD2-CD2 4.24Å; L105-V213 CarbonylContact O-C 3.54Å; L105-V213 WeakPolarHBondContact O-CA 3.41Å; L105-L214 HydrophobicContact CB-CB 4.45Å; L105-L214 PolarHBondContact N-O 2.99Å; L105-L214 PolarHBondContact O-N 3.4Å; L105-F216 HydrophobicContact CB-CE2 3.6Å; L105-F216 HydrophobicContact CB-CZ 3.82Å; L105-F216 HydrophobicContact CD2-CZ 4.02Å
106H98.4Very high96.6Very high23 Ų2337 Ų3711%0.10619%0.191CC..  trans-84.1-41.9176.3-64.274.1000111.4I8 I9 N10 I206 V213I8-H106 PolarHBondContact O-CE1 3.48Å; I8-H106 PolarHBondContact O-NE2 3.43Å; I9-H106 HydrophobicContact CD1-CB 4.44Å; I9-H106 VanDerWaalsContact CD1-CD2 3.42Å; I9-H106 WeakPolarHBondContact CD1-CD2 3.43Å; I9-H106 HydrophobicContact CG2-CB 4.25Å; N10-H106 PolarHBondContact N-ND1 2.94Å; N10-H106 WeakPolarHBondContact O-CB 3.26Å; N10-H106 PolarHBondContact O-N 3.43Å; H106-I206 HydrophobicContact CB-CD1 3.95Å; H106-I206 HydrophobicContact CB-CG1 4.23Å; H106-V213 WeakPolarHBondContact NE2-CG1 3.16Å
107L98.6Very high96.1Very high2 Ų240.7 Ų40.71%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-157.1131.1-177.8-168.971.5000112.4N10 L11 A12 L109 Y141 A143 I202 F205 I206N10-L107 PolarHBondContact O-N 2.83Å; L11-L107 VanDerWaalsContact CA-O 3.31Å; L11-L107 WeakPolarHBondContact CA-O 3.35Å; L11-L107 HydrophobicContact CD2-CB 3.75Å; A12-L107 PolarHBondContact N-O 3.44Å; A12-L107 VanDerWaalsContact N-O 3.15Å; L107-L109 HydrophobicContact CD2-CD2 3.65Å; L107-L109 HydrophobicContact CD2-CG 4.48Å; L107-L109 HydrophobicContact CG-CD2 4.22Å; L107-Y141 CarbonylContact C-O 3.58Å; L107-A143 HydrophobicContact CD1-CB 4.15Å; L107-A143 HydrophobicContact CD2-CB 4.08Å; L107-A143 HydrophobicContact CG-CB 4.4Å; L107-I202 HydrophobicContact CD2-CG1 4.41Å; L107-I202 HydrophobicContact CD2-CG2 3.99Å; L107-F205 HydrophobicContact CD2-CB 4.23Å; L107-F205 HydrophobicContact CD2-CD2 4.08Å; L107-I206 HydrophobicContact CB-CG1 4.26Å
108A98.6Very high95.7Very high0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans-87.3126.9163.300000109.8A12 F14 L105 L134 Y141 T142 A143A12-A108 CarbonylContact O-C 3.6Å; A12-A108 WeakPolarHBondContact O-CA 3.37Å; F14-A108 HydrophobicContact CD2-CB 3.9Å; F14-A108 HydrophobicContact CE2-CB 3.85Å; L105-A108 HydrophobicContact CD2-CB 4.23Å; A108-L134 HydrophobicContact CB-CD2 4Å; A108-Y141 WeakPolarHBondContact CB-O 3.12Å; A108-Y141 PolarHBondContact N-O 3.41Å; A108-T142 CarbonylContact O-C 3.59Å; A108-T142 VanDerWaalsContact O-CA 3.3Å; A108-T142 WeakPolarHBondContact O-CA 3.2Å; A108-A143 PolarHBondContact O-N 3.49Å
109L98.7Very high94.9Very high4 Ų438.5 Ų38.52%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-101111.1175.2-65.4175.6000109.1L11 A12 V13 F14 L28 L107 V111 A143 I202L11-L109 HydrophobicContact CD1-CD1 4.38Å; A12-L109 PolarHBondContact O-N 3.5Å; V13-L109 HydrophobicContact CG1-CB 4.17Å; V13-L109 HydrophobicContact CG1-CD1 4.23Å; F14-L109 PolarHBondContact N-O 2.95Å; L28-L109 HydrophobicContact CD1-CD1 3.63Å; L107-L109 HydrophobicContact CD2-CD2 3.65Å; L107-L109 HydrophobicContact CD2-CG 4.48Å; L107-L109 HydrophobicContact CG-CD2 4.22Å; L109-V111 PolarHBondContact O-N 3.41Å; L109-A143 WeakPolarHBondContact CA-O 3.48Å; L109-A143 HydrophobicContact CD2-CB 4.19Å; L109-I202 HydrophobicContact CD1-CD1 3.93Å; L109-I202 HydrophobicContact CD2-CD1 4.45Å; L109-I202 HydrophobicContact CD2-CG1 4.31Å
110L98.4Very high94.1Very high3 Ų338.1 Ų38.12%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-82.4102.3171.217659.9000109.4Q112 P126 V127 I130 T142 A143 V144 L145 L173L110-Q112 PolarHBondContact O-N 2.87Å; L110-P126 HydrophobicContact CD1-CB 3.62Å; L110-V127 HydrophobicContact CD2-CG2 3.7Å; L110-I130 HydrophobicContact CB-CD1 4.09Å; L110-I130 HydrophobicContact CD1-CD1 4.13Å; L110-T142 HydrophobicContact CB-CG2 4.29Å; L110-A143 PolarHBondContact N-O 3.01Å; L110-V144 HydrophobicContact CD2-CG2 4.48Å; L110-V144 WeakPolarHBondContact O-CA 3.49Å; L110-L145 PolarHBondContact O-N 2.96Å; L110-L173 HydrophobicContact CD2-CD1 4.2Å; L110-L173 HydrophobicContact CD2-CD2 3.7Å
111V98Very high93.1Very high0 Ų044.3 Ų44.30%024%0.239CC..EExtended strand (participates in β ladder)trans-82.9115.2-177.5-172.70000110.2V13 F14 S19 K21 T24 L109 L145 T147V13-V111 HydrophobicContact CB-CG2 4.22Å; V13-V111 HydrophobicContact CG1-CG2 4.45Å; F14-V111 WeakPolarHBondContact O-CB 3.31Å; F14-V111 PolarHBondContact O-N 3.46Å; S19-V111 VanDerWaalsContact CB-O 3.25Å; S19-V111 WeakPolarHBondContact CB-O 3.44Å; S19-V111 VanDerWaalsContact O-CG1 3.24Å; S19-V111 WeakPolarHBondContact O-CG1 3.42Å; S19-V111 PolarHBondContact OG-O 3.05Å; S19-V111 VanDerWaalsContact OG-O 3.09Å; K21-V111 HydrophobicContact CG-CB 3.99Å; K21-V111 HydrophobicContact CG-CG2 4.07Å; T24-V111 HydrophobicContact CG2-CG2 4.38Å; L109-V111 PolarHBondContact O-N 3.41Å; V111-L145 WeakPolarHBondContact CA-O 3.33Å; V111-T147 HydrophobicContact CG1-CG2 3.38Å
112Q96.4Very high92.2Very high10 Ų1048.3 Ų48.35%0.04725%0.25CS..EExtended strand (participates in β ladder)trans-121.6141.8179.1175.852.243.400109.5L110 V116 F118 V144 L145 F146 T147L110-Q112 PolarHBondContact O-N 2.87Å; Q112-V116 PolarHBondContact NE2-O 2.79Å; Q112-F118 HydrophobicContact CG-CD2 4.2Å; Q112-V144 HydrophobicContact CB-CG1 4.4Å; Q112-L145 PolarHBondContact N-O 2.92Å; Q112-F146 HydrophobicContact CB-CD1 4.24Å; Q112-F146 HydrophobicContact CB-CE1 4.38Å; Q112-F146 HydrophobicContact CG-CD1 4.12Å; Q112-F146 HydrophobicContact CG-CE1 4.05Å; Q112-F146 CarbonylContact O-C 3.4Å; Q112-F146 WeakPolarHBondContact O-CA 3.44Å; Q112-T147 PolarHBondContact O-N 2.86Å
113R95.4Very high91.6Very high55 Ų5539.4 Ų39.421%0.20821%0.209CC..EExtended strand (participates in β ladder)trans-82135172.5-60.2171.157.2104.75109.8D115 V116 H148R113-D115 VanDerWaalsContact C-N 3.26Å; R113-D115 VanDerWaalsContact CB-OD1 3.3Å; R113-D115 WeakPolarHBondContact CB-OD1 3.2Å; R113-D115 IonicContact CZ-OD1 3.03Å; R113-D115 VanDerWaalsContact CZ-OD1 3.32Å; R113-D115 IonicContact CZ-OD2 2.73Å; R113-D115 IonicContact NE-OD1 3.94Å; R113-D115 PolarHBondContact NE-OD1 3.39Å; R113-D115 IonicContact NE-OD2 3.32Å; R113-D115 VanDerWaalsContact NH2-CG 3.29Å; R113-D115 IonicContact NH2-OD1 2.82Å; R113-D115 PolarHBondContact NH2-OD1 2.88Å; R113-D115 IonicContact NH2-OD2 3.99Å; R113-D115 PolarHBondContact NH2-OD2 2.89Å; R113-D115 PolarHBondContact O-N 3.43Å; R113-V116 HydrophobicContact CB-CB 4.07Å; R113-V116 HydrophobicContact CB-CG2 3.97Å; R113-V116 HydrophobicContact CG-CG2 4.45Å; R113-V116 PolarHBondContact O-N 2.83Å; R113-H148 VanDerWaalsContact CZ-CE1 3.46Å; R113-H148 VanDerWaalsContact CZ-NE2 3.34Å; R113-H148 PolarHBondContact NH1-CE1 2.93Å; R113-H148 PolarHBondContact NH1-NE2 3.21Å; R113-H148 PolarHBondContact NH2-CD2 3.04Å; R113-H148 VanDerWaalsContact NH2-CD2 3.26Å; R113-H148 PolarHBondContact NH2-NE2 3.22Å
114A95.4Very high91.3Very high8 Ų837 Ų377%0.06620%0.199CC..THydrogen-bonded Turntrans-64.1-33.3175.500000112.4V116 F146 T147 I152 Y162A114-V116 VanDerWaalsContact C-N 3.34Å; A114-F146 HydrophobicContact CB-CB 4.49Å; A114-T147 WeakPolarHBondContact CB-O 3.4Å; A114-T147 PolarHBondContact N-O 2.58Å; A114-I152 HydrophobicContact CB-CD1 3.7Å; A114-I152 HydrophobicContact CB-CG1 3.98Å; A114-Y162 VanDerWaalsContact CA-OH 3.32Å; A114-Y162 WeakPolarHBondContact CA-OH 3.29Å; A114-Y162 HydrophobicContact CB-CE2 4.5Å; A114-Y162 WeakPolarHBondContact O-CE2 3.31Å; A114-Y162 PolarHBondContact O-OH 3.02Å
115D93.4Very high91.1Very high66 Ų6637.9 Ų37.935%0.35320%0.203SC..THydrogen-bonded Turntrans-88.33-177.969.7-13000114.4R113 K151R113-D115 VanDerWaalsContact C-N 3.26Å; R113-D115 VanDerWaalsContact CB-OD1 3.3Å; R113-D115 WeakPolarHBondContact CB-OD1 3.2Å; R113-D115 IonicContact CZ-OD1 3.03Å; R113-D115 VanDerWaalsContact CZ-OD1 3.32Å; R113-D115 IonicContact CZ-OD2 2.73Å; R113-D115 IonicContact NE-OD1 3.94Å; R113-D115 PolarHBondContact NE-OD1 3.39Å; R113-D115 IonicContact NE-OD2 3.32Å; R113-D115 VanDerWaalsContact NH2-CG 3.29Å; R113-D115 IonicContact NH2-OD1 2.82Å; R113-D115 PolarHBondContact NH2-OD1 2.88Å; R113-D115 IonicContact NH2-OD2 3.99Å; R113-D115 PolarHBondContact NH2-OD2 2.89Å; R113-D115 PolarHBondContact O-N 3.43Å; D115-K151 HydrophobicContact CB-CB 4.11Å; D115-K151 HydrophobicContact CB-CG 3.96Å
116V92.2Very high90.9Very high51 Ų5138 Ų3831%0.30921%0.205SC..SBendtrans-116.4120.8174.5178.90000108.7Q112 R113 A114 F118Q112-V116 PolarHBondContact NE2-O 2.79Å; R113-V116 HydrophobicContact CB-CB 4.07Å; R113-V116 HydrophobicContact CB-CG2 3.97Å; R113-V116 HydrophobicContact CG-CG2 4.45Å; R113-V116 PolarHBondContact O-N 2.83Å; A114-V116 VanDerWaalsContact C-N 3.34Å; V116-F118 PolarHBondContact O-N 3.33Å
117P88.5Confident90.8Very high79 Ų7937.7 Ų37.751%0.51320%0.204SC..  trans-58138.7178.7-2836.3000113.2F119P117-F119 HydrophobicContact CB-CD1 3.22Å; P117-F119 HydrophobicContact CB-CE1 3.22Å; P117-F119 HydrophobicContact CB-CG 4.46Å; P117-F119 HydrophobicContact CB-CZ 4.44Å; P117-F119 HydrophobicContact CG-CD1 4.27Å; P117-F119 HydrophobicContact CG-CE1 3.79Å; P117-F119 PolarHBondContact O-N 3.3Å
118F88.3Confident90.7Very high11 Ų1140.8 Ų40.85%0.04822%0.218CC..  trans-91.380.6174-165.7-95.7000109.9Q112 V116 A123 V127 S167 T169 L170 L173Q112-F118 HydrophobicContact CG-CD2 4.2Å; V116-F118 PolarHBondContact O-N 3.33Å; F118-A123 HydrophobicContact CD1-CB 4.45Å; F118-A123 HydrophobicContact CD2-CB 3.81Å; F118-A123 HydrophobicContact CE2-CB 3.94Å; F118-A123 WeakPolarHBondContact CE2-O 3.44Å; F118-A123 HydrophobicContact CG-CB 4.07Å; F118-A123 HydrophobicContact CZ-CB 4.32Å; F118-A123 VanDerWaalsContact CZ-O 3.26Å; F118-A123 WeakPolarHBondContact CZ-O 3.37Å; F118-V127 HydrophobicContact CZ-CG2 3.94Å; F118-S167 PolarHBondContact O-OG 2.83Å; F118-T169 HydrophobicContact CD1-CG2 4.01Å; F118-T169 HydrophobicContact CE1-CG2 3.86Å; F118-L170 HydrophobicContact CB-CB 4.16Å; F118-L170 HydrophobicContact CB-CD1 4.29Å; F118-L170 HydrophobicContact CB-CD2 4.34Å; F118-L170 HydrophobicContact CD1-CB 4Å; F118-L170 HydrophobicContact CD1-CD1 4.14Å; F118-L170 HydrophobicContact CG-CB 4.4Å; F118-L170 HydrophobicContact CG-CD1 4.15Å; F118-L173 HydrophobicContact CE1-CB 4.47Å; F118-L173 HydrophobicContact CE1-CD2 3.83Å; F118-L173 HydrophobicContact CE2-CD2 4.16Å; F118-L173 HydrophobicContact CZ-CD2 3.58Å
119F81Confident90.6Very high141 Ų14141 Ų4162%0.61822%0.219SC*.  trans-143.6159.2175.169-106.2000112.1P117 A123P117-F119 HydrophobicContact CB-CD1 3.22Å; P117-F119 HydrophobicContact CB-CE1 3.22Å; P117-F119 HydrophobicContact CB-CG 4.46Å; P117-F119 HydrophobicContact CB-CZ 4.44Å; P117-F119 HydrophobicContact CG-CD1 4.27Å; P117-F119 HydrophobicContact CG-CE1 3.79Å; P117-F119 PolarHBondContact O-N 3.3Å; F119-A123 WeakPolarHBondContact O-CB 3.35Å
120G80.6Confident90.6Very high45 Ų4540.9 Ų40.946%0.46422%0.219SC..SBendtrans75.1173.6177.300000114.1E122 A123G120-E122 VanDerWaalsContact C-N 3.3Å; G120-E122 PolarHBondContact O-N 3.04Å; G120-A123 PolarHBondContact O-N 3.15Å
121Q77.1Confident90.5Very high131 Ų13144.5 Ų44.561%0.61224%0.236SC*.Hα-helixtrans-58.2-39.9-171.2-170.462.842.300113A123 S124 N125Q121-A123 VanDerWaalsContact C-N 3.29Å; Q121-A123 PolarHBondContact O-N 2.79Å; Q121-S124 PolarHBondContact O-N 2.83Å; Q121-S124 VanDerWaalsContact O-N 3.17Å; Q121-N125 PolarHBondContact NE2-OD1 2.9Å; Q121-N125 VanDerWaalsContact O-CG 3.27Å; Q121-N125 PolarHBondContact O-N 3.48Å; Q121-N125 VanDerWaalsContact O-N 3.12Å; Q121-N125 PolarHBondContact O-OD1 2.85Å
122E75.4Confident90.4Very high109 Ų10948.4 Ų48.451%0.50925%0.254SS..Hα-helixtrans-66.7-30-177.2-64.8-169.6-171.500113.8R16 P79 G120 S124R16-E122 WeakPolarHBondContact CD-O 3.4Å; R16-E122 IonicContact CZ-OE2 2.69Å; R16-E122 IonicContact NH2-OE2 2.81Å; R16-E122 PolarHBondContact NH2-OE2 2.82Å; P79-E122 HydrophobicContact CG-CB 4.27Å; P79-E122 HydrophobicContact CG-CG 4.2Å; G120-E122 VanDerWaalsContact C-N 3.3Å; G120-E122 PolarHBondContact O-N 3.04Å; E122-S124 VanDerWaalsContact C-N 3.34Å
123A79.1Confident90.4Very high0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-69.7-34.4175.500000111.4F118 F119 G120 Q121 P126F118-A123 HydrophobicContact CD1-CB 4.45Å; F118-A123 HydrophobicContact CD2-CB 3.81Å; F118-A123 HydrophobicContact CE2-CB 3.94Å; F118-A123 WeakPolarHBondContact CE2-O 3.44Å; F118-A123 HydrophobicContact CG-CB 4.07Å; F118-A123 HydrophobicContact CZ-CB 4.32Å; F118-A123 VanDerWaalsContact CZ-O 3.26Å; F118-A123 WeakPolarHBondContact CZ-O 3.37Å; F119-A123 WeakPolarHBondContact O-CB 3.35Å; G120-A123 PolarHBondContact O-N 3.15Å; Q121-A123 VanDerWaalsContact C-N 3.29Å; Q121-A123 PolarHBondContact O-N 2.79Å; A123-P126 WeakPolarHBondContact O-CD 3.34Å
124S87.9Confident90.5Very high39 Ų3946.9 Ų46.927%0.27325%0.25SS..Hα-helixtrans-81.7-20.5-180-55.40000114.1Q121 E122 V127 Q128Q121-S124 PolarHBondContact O-N 2.83Å; Q121-S124 VanDerWaalsContact O-N 3.17Å; E122-S124 VanDerWaalsContact C-N 3.34Å; S124-V127 WeakPolarHBondContact O-CA 3.47Å; S124-V127 VanDerWaalsContact O-CB 3.29Å; S124-V127 WeakPolarHBondContact O-CB 3.43Å; S124-V127 PolarHBondContact O-N 2.81Å; S124-Q128 PolarHBondContact O-N 3.36Å
125N93.3Very high90.5Very high18 Ų1848.2 Ų48.210%0.09626%0.264CS..Hα-helixtrans-55.1-43.9-177.5-79.7-15.8000114.8Y78 P79 Q121 V127 Q128 L129Y78-N125 HydrophobicContact CD1-CB 3.74Å; Y78-N125 HydrophobicContact CE1-CB 3.8Å; P79-N125 HydrophobicContact CG-CB 4.41Å; Q121-N125 PolarHBondContact NE2-OD1 2.9Å; Q121-N125 VanDerWaalsContact O-CG 3.27Å; Q121-N125 PolarHBondContact O-N 3.48Å; Q121-N125 VanDerWaalsContact O-N 3.12Å; Q121-N125 PolarHBondContact O-OD1 2.85Å; N125-V127 VanDerWaalsContact C-N 3.3Å; N125-V127 PolarHBondContact O-N 2.97Å; N125-Q128 PolarHBondContact O-N 3.36Å; N125-L129 PolarHBondContact O-N 2.82Å
126P94.8Very high90.5Very high4 Ų453 Ų533%0.02629%0.29CS..Hα-helixtrans-60.9-35.6171.1-21.127.6000114.2R16 Y78 L110 A123 L129 I130R16-P126 HydrophobicContact CG-CG 3.61Å; Y78-P126 WeakPolarHBondContact O-CG 3.49Å; L110-P126 HydrophobicContact CD1-CB 3.62Å; A123-P126 WeakPolarHBondContact O-CD 3.34Å; P126-L129 PolarHBondContact O-N 2.94Å; P126-I130 WeakPolarHBondContact O-CG1 3.35Å; P126-I130 PolarHBondContact O-N 3.47Å
127V96.1Very high90.6Very high15 Ų1552.9 Ų52.99%0.09129%0.291CS..Hα-helixtrans-66.2-45.2177.7-1760000109.4L110 F118 S124 N125 L129 I130 Q131 W138 L173L110-V127 HydrophobicContact CD2-CG2 3.7Å; F118-V127 HydrophobicContact CZ-CG2 3.94Å; S124-V127 WeakPolarHBondContact O-CA 3.47Å; S124-V127 VanDerWaalsContact O-CB 3.29Å; S124-V127 WeakPolarHBondContact O-CB 3.43Å; S124-V127 PolarHBondContact O-N 2.81Å; N125-V127 VanDerWaalsContact C-N 3.3Å; N125-V127 PolarHBondContact O-N 2.97Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3.21Å; V127-I130 PolarHBondContact O-N 2.93Å; V127-Q131 HydrophobicContact CG1-CG 4.44Å; V127-Q131 VanDerWaalsContact O-CG 3.27Å; V127-Q131 WeakPolarHBondContact O-CG 3.12Å; V127-Q131 PolarHBondContact O-N 3.49Å; V127-W138 HydrophobicContact CG1-CH2 4.11Å; V127-W138 HydrophobicContact CG1-CZ3 4.27Å; V127-L173 HydrophobicContact CG1-CD1 4.14Å; V127-L173 HydrophobicContact CG2-CD1 4.01Å; V127-L173 HydrophobicContact CG2-CD2 4.14Å
128Q96.1Very high91Very high68 Ų6850 Ų5032%0.31827%0.27SS..Hα-helixtrans-59.6-43.1175.4-172.2-174.2-15.800111.6M85 S124 N125 I130 Q131 E132M85-Q128 HydrophobicContact CE-CB 4.36Å; M85-Q128 HydrophobicContact CE-CG 3.89Å; S124-Q128 PolarHBondContact O-N 3.36Å; N125-Q128 PolarHBondContact O-N 3.36Å; Q128-I130 VanDerWaalsContact C-N 3.34Å; Q128-I130 PolarHBondContact O-N 3.08Å; Q128-Q131 WeakPolarHBondContact O-CB 3.27Å; Q128-Q131 PolarHBondContact O-N 3.5Å; Q128-E132 PolarHBondContact NE2-OE1 3.07Å; Q128-E132 WeakPolarHBondContact O-CG 3.36Å; Q128-E132 PolarHBondContact O-N 3.45Å
129L96.9Very high91.4Very high4 Ų453.7 Ų53.72%0.02129%0.286CS..Hα-helixtrans-59.3-45.2176.2179.663.7000111.8F14 V88 K89 N125 P126 V127 E132 L133F14-L129 HydrophobicContact CD1-CD2 4.4Å; V88-L129 HydrophobicContact CG1-CD2 3.83Å; K89-L129 HydrophobicContact CB-CD1 3.7Å; K89-L129 HydrophobicContact CG-CD1 4.1Å; N125-L129 PolarHBondContact O-N 2.82Å; P126-L129 PolarHBondContact O-N 2.94Å; V127-L129 VanDerWaalsContact C-N 3.32Å; V127-L129 PolarHBondContact O-N 3.21Å; L129-E132 PolarHBondContact O-N 2.82Å; L129-L133 HydrophobicContact CD1-CD1 3.87Å; L129-L133 HydrophobicContact CD1-CG 4.34Å; L129-L133 HydrophobicContact CG-CD1 3.88Å; L129-L133 WeakPolarHBondContact O-CB 3.26Å; L129-L133 WeakPolarHBondContact O-CD1 3.46Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.07Å; L129-L133 PolarHBondContact O-N 3.23Å; L129-L133 VanDerWaalsContact O-N 3.1Å
130I97.4Very high92.1Very high1 Ų150 Ų501%0.00527%0.273CS..Hα-helixtrans-61.9-45.2175.6-74167000110.7F14 L110 P126 V127 Q128 E132 L133 L134 W138 T142F14-I130 HydrophobicContact CB-CD1 3.51Å; F14-I130 HydrophobicContact CB-CG1 3.86Å; F14-I130 HydrophobicContact CD1-CD1 4.34Å; F14-I130 HydrophobicContact CD1-CG1 3.69Å; F14-I130 HydrophobicContact CD2-CD1 4.1Å; F14-I130 HydrophobicContact CD2-CG1 3.97Å; F14-I130 HydrophobicContact CE1-CG1 4.16Å; F14-I130 HydrophobicContact CE2-CG1 4.41Å; F14-I130 HydrophobicContact CG-CD1 3.75Å; F14-I130 HydrophobicContact CG-CG1 3.58Å; L110-I130 HydrophobicContact CB-CD1 4.09Å; L110-I130 HydrophobicContact CD1-CD1 4.13Å; P126-I130 WeakPolarHBondContact O-CG1 3.35Å; P126-I130 PolarHBondContact O-N 3.47Å; V127-I130 PolarHBondContact O-N 2.93Å; Q128-I130 VanDerWaalsContact C-N 3.34Å; Q128-I130 PolarHBondContact O-N 3.08Å; I130-E132 PolarHBondContact O-N 3.39Å; I130-L133 PolarHBondContact O-N 3.35Å; I130-L134 HydrophobicContact CG2-CD1 4.15Å; I130-L134 HydrophobicContact CG2-CD2 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.48Å; I130-L134 WeakPolarHBondContact O-CB 3.38Å; I130-L134 WeakPolarHBondContact O-CD1 3.46Å; I130-L134 PolarHBondContact O-N 3.13Å; I130-W138 HydrophobicContact CG2-CB 4.11Å; I130-W138 HydrophobicContact CG2-CE3 4.14Å; I130-T142 HydrophobicContact CD1-CG2 4.44Å
131Q97.1Very high92.9Very high79 Ų7948.7 Ų48.737%0.36925%0.254SS..Hα-helixtrans-59.5-44.7178.3-72.7171.7-19.400112.1V127 Q128 L133 G135 W138V127-Q131 HydrophobicContact CG1-CG 4.44Å; V127-Q131 VanDerWaalsContact O-CG 3.27Å; V127-Q131 WeakPolarHBondContact O-CG 3.12Å; V127-Q131 PolarHBondContact O-N 3.49Å; Q128-Q131 WeakPolarHBondContact O-CB 3.27Å; Q128-Q131 PolarHBondContact O-N 3.5Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 2.79Å; Q131-G135 WeakPolarHBondContact O-CA 3.47Å; Q131-G135 PolarHBondContact O-N 2.9Å; Q131-W138 HydrophobicContact CG-CD2 3.81Å; Q131-W138 HydrophobicContact CG-CE3 4.48Å; Q131-W138 HydrophobicContact CG-CG 3.93Å; Q131-W138 HydrophobicContact CG-CZ2 4.19Å; Q131-W138 VanDerWaalsContact NE2-CZ2 3.26Å
132E96.5Very high94Very high83 Ų8342.5 Ų42.539%0.38823%0.225SC..Hα-helixtrans-66.7-30178-73.6-178.1-151.900113M85 K89 Q128 L129 I130M85-E132 VanDerWaalsContact CE-OE1 3.24Å; M85-E132 WeakPolarHBondContact CE-OE1 3.25Å; K89-E132 HydrophobicContact CD-CB 4.09Å; K89-E132 WeakPolarHBondContact CD-OE2 3.39Å; K89-E132 IonicContact NZ-OE2 3.84Å; K89-E132 PolarHBondContact NZ-OE2 3.26Å; Q128-E132 PolarHBondContact NE2-OE1 3.07Å; Q128-E132 WeakPolarHBondContact O-CG 3.36Å; Q128-E132 PolarHBondContact O-N 3.45Å; L129-E132 PolarHBondContact O-N 2.82Å; I130-E132 PolarHBondContact O-N 3.39Å
133L96.6Very high95.1Very high23 Ų2337.3 Ų37.312%0.1220%0.201CC..Hα-helixtrans-86.9-39-178.3-73168.8000113.5F14 K89 V92 K93 L129 I130 Q131F14-L133 HydrophobicContact CE1-CD1 3.65Å; F14-L133 HydrophobicContact CZ-CD1 4.17Å; K89-L133 HydrophobicContact CG-CD2 3.86Å; K89-L133 HydrophobicContact CG-CG 4.28Å; V92-L133 HydrophobicContact CB-CD1 4.01Å; V92-L133 HydrophobicContact CG1-CD1 3.65Å; K93-L133 HydrophobicContact CB-CD2 3.68Å; K93-L133 HydrophobicContact CG-CD2 4.4Å; L129-L133 HydrophobicContact CD1-CD1 3.87Å; L129-L133 HydrophobicContact CD1-CG 4.34Å; L129-L133 HydrophobicContact CG-CD1 3.88Å; L129-L133 WeakPolarHBondContact O-CB 3.26Å; L129-L133 WeakPolarHBondContact O-CD1 3.46Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.07Å; L129-L133 PolarHBondContact O-N 3.23Å; L129-L133 VanDerWaalsContact O-N 3.1Å; I130-L133 PolarHBondContact O-N 3.35Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 2.79Å
134L96.2Very high96Very high10 Ų1037.4 Ų37.45%0.05220%0.202CC..Hα-helixtrans-100.1-10.2-172.9-74.766.8000112.7F14 L105 A108 I130 W138 L214F14-L134 HydrophobicContact CZ-CD1 4.45Å; L105-L134 HydrophobicContact CD2-CD2 4.24Å; A108-L134 HydrophobicContact CB-CD2 4Å; I130-L134 HydrophobicContact CG2-CD1 4.15Å; I130-L134 HydrophobicContact CG2-CD2 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.48Å; I130-L134 WeakPolarHBondContact O-CB 3.38Å; I130-L134 WeakPolarHBondContact O-CD1 3.46Å; I130-L134 PolarHBondContact O-N 3.13Å; L134-W138 HydrophobicContact CB-CB 3.69Å; L134-W138 HydrophobicContact CD2-CB 4.42Å; L134-L214 HydrophobicContact CB-CD2 3.71Å; L134-L214 HydrophobicContact CD2-CD2 3.96Å; L134-L214 HydrophobicContact CG-CD2 3.52Å
135G96.1Very high96.5Very high35 Ų3535.7 Ų35.736%0.36119%0.189SC..G310 helixtrans63.2-153.4179.600000112.9Q131 S137 W138Q131-G135 WeakPolarHBondContact O-CA 3.47Å; Q131-G135 PolarHBondContact O-N 2.9Å; G135-S137 PolarHBondContact O-N 3.19Å; G135-S137 VanDerWaalsContact O-N 3.08Å; G135-W138 WeakPolarHBondContact O-CB 3.42Å; G135-W138 VanDerWaalsContact O-CD1 3.25Å; G135-W138 PolarHBondContact O-N 3.17Å
136D93.9Very high96.7Very high166 Ų16634.8 Ų34.889%0.88819%0.185SC*.G310 helixtrans-60.9-24.5-173.9-62.9-30.4000113.7W138D136-W138 VanDerWaalsContact C-N 3.3Å; D136-W138 PolarHBondContact O-N 3.35Å
137S93.6Very high96.7Very high49 Ų4934.9 Ų34.934%0.34319%0.185SC..G310 helixtrans-78.6-8.2179.7-630000113.9G135 K139 N140 Y141G135-S137 PolarHBondContact O-N 3.19Å; G135-S137 VanDerWaalsContact O-N 3.08Å; S137-K139 PolarHBondContact O-N 2.89Å; S137-N140 PolarHBondContact O-N 3.45Å; S137-Y141 WeakPolarHBondContact O-CD2 3.34Å
138W96.8Very high96.6Very high19 Ų1936.7 Ų36.77%0.07219%0.192CC..G310 helixtrans-49.5-38.1-171.178.3-87.6000113.5V127 I130 Q131 L134 G135 D136 N140 Y141 T142 L173 V177V127-W138 HydrophobicContact CG1-CH2 4.11Å; V127-W138 HydrophobicContact CG1-CZ3 4.27Å; I130-W138 HydrophobicContact CG2-CB 4.11Å; I130-W138 HydrophobicContact CG2-CE3 4.14Å; Q131-W138 HydrophobicContact CG-CD2 3.81Å; Q131-W138 HydrophobicContact CG-CE3 4.48Å; Q131-W138 HydrophobicContact CG-CG 3.93Å; Q131-W138 HydrophobicContact CG-CZ2 4.19Å; Q131-W138 VanDerWaalsContact NE2-CZ2 3.26Å; L134-W138 HydrophobicContact CB-CB 3.69Å; L134-W138 HydrophobicContact CD2-CB 4.42Å; G135-W138 WeakPolarHBondContact O-CB 3.42Å; G135-W138 VanDerWaalsContact O-CD1 3.25Å; G135-W138 PolarHBondContact O-N 3.17Å; D136-W138 VanDerWaalsContact C-N 3.3Å; D136-W138 PolarHBondContact O-N 3.35Å; W138-N140 VanDerWaalsContact C-N 3.31Å; W138-N140 PolarHBondContact O-N 2.89Å; W138-Y141 CarbonylContact O-C 3.55Å; W138-Y141 PolarHBondContact O-N 3.25Å; W138-T142 VanDerWaalsContact O-CB 3.31Å; W138-T142 WeakPolarHBondContact O-CB 3.46Å; W138-T142 PolarHBondContact O-N 3.12Å; W138-T142 VanDerWaalsContact O-N 3.15Å; W138-T142 PolarHBondContact O-OG1 3.5Å; W138-L173 HydrophobicContact CH2-CD1 4.11Å; W138-L173 HydrophobicContact CZ3-CD1 4.18Å; W138-V177 HydrophobicContact CE3-CG1 4.4Å; W138-V177 HydrophobicContact CH2-CG1 4.23Å; W138-V177 HydrophobicContact CZ3-CG1 3.66Å
139K96.6Very high96.5Very high88 Ų8833.4 Ų33.438%0.38318%0.177SC..G310 helixtrans-56.2-44.1-179.3-69-175.3-177.8-178.80112.1S137 Y141 S176 R180S137-K139 PolarHBondContact O-N 2.89Å; K139-Y141 VanDerWaalsContact C-N 3.31Å; K139-Y141 PolarHBondContact O-N 3.29Å; K139-S176 VanDerWaalsContact CB-O 3.26Å; K139-S176 WeakPolarHBondContact CB-O 3.42Å; K139-S176 WeakPolarHBondContact CD-O 3.34Å; K139-S176 WeakPolarHBondContact CG-O 3.25Å; K139-R180 PolarHBondContact O-NH2 3.26Å
140N96.4Very high96.3Very high65 Ų6535 Ų3535%0.34818%0.184SC..G310 helixtrans-75.5-22-175.3-62.4-16.4000112.8S137 W138 Q178S137-N140 PolarHBondContact O-N 3.45Å; W138-N140 VanDerWaalsContact C-N 3.31Å; W138-N140 PolarHBondContact O-N 2.89Å; N140-Q178 PolarHBondContact OD1-NE2 3.32Å
141Y98.1Very high96.2Very high17 Ų1740.2 Ų40.27%0.06721%0.207CC..G310 helixtrans-111.117.4-177-63.6-86.1000112.7L107 A108 S137 W138 K139 N209 Q212 V213 L214L107-Y141 CarbonylContact C-O 3.58Å; A108-Y141 WeakPolarHBondContact CB-O 3.12Å; A108-Y141 PolarHBondContact N-O 3.41Å; S137-Y141 WeakPolarHBondContact O-CD2 3.34Å; W138-Y141 CarbonylContact O-C 3.55Å; W138-Y141 PolarHBondContact O-N 3.25Å; K139-Y141 VanDerWaalsContact C-N 3.31Å; K139-Y141 PolarHBondContact O-N 3.29Å; Y141-N209 WeakPolarHBondContact CE1-ND2 3.32Å; Y141-Q212 WeakPolarHBondContact CE1-O 2.96Å; Y141-V213 PolarHBondContact OH-O 3.22Å; Y141-L214 HydrophobicContact CD1-CB 3.85Å; Y141-L214 HydrophobicContact CD2-CB 4.02Å; Y141-L214 HydrophobicContact CD2-CD1 4.25Å; Y141-L214 HydrophobicContact CD2-CD2 4.47Å; Y141-L214 HydrophobicContact CD2-CG 4.49Å; Y141-L214 HydrophobicContact CE1-CB 3.88Å; Y141-L214 HydrophobicContact CE2-CB 4.07Å; Y141-L214 HydrophobicContact CE2-CD1 4.08Å; Y141-L214 HydrophobicContact CG-CB 3.91Å
142T98.6Very high96Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-122.5143.9179.2-55.10000111.2A108 L110 I130 W138 V177 R180A108-T142 CarbonylContact O-C 3.59Å; A108-T142 VanDerWaalsContact O-CA 3.3Å; A108-T142 WeakPolarHBondContact O-CA 3.2Å; L110-T142 HydrophobicContact CB-CG2 4.29Å; I130-T142 HydrophobicContact CD1-CG2 4.44Å; W138-T142 VanDerWaalsContact O-CB 3.31Å; W138-T142 WeakPolarHBondContact O-CB 3.46Å; W138-T142 PolarHBondContact O-N 3.12Å; W138-T142 VanDerWaalsContact O-N 3.15Å; W138-T142 PolarHBondContact O-OG1 3.5Å; T142-V177 HydrophobicContact CG2-CG1 4.03Å; T142-R180 PolarHBondContact O-NE 2.85Å; T142-R180 VanDerWaalsContact O-NE 3.11Å
143A98.6Very high95.7Very high0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-135150.9165.400000110.1L107 A108 L109 L110 R180 F205L107-A143 HydrophobicContact CD1-CB 4.15Å; L107-A143 HydrophobicContact CD2-CB 4.08Å; L107-A143 HydrophobicContact CG-CB 4.4Å; A108-A143 PolarHBondContact O-N 3.49Å; L109-A143 WeakPolarHBondContact CA-O 3.48Å; L109-A143 HydrophobicContact CD2-CB 4.19Å; L110-A143 PolarHBondContact N-O 3.01Å; A143-R180 CarbonylContact C-O 3.51Å; A143-R180 WeakPolarHBondContact CA-O 3.35Å; A143-R180 HydrophobicContact CB-CB 3.78Å; A143-F205 HydrophobicContact CB-CD2 3.6Å; A143-F205 HydrophobicContact CB-CE2 3.74Å; A143-F205 HydrophobicContact CB-CG 4.46Å
144V98.5Very high95.5Very high2 Ų240.6 Ų40.61%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-91.2130.8175.7-178.30000109.8L110 Q112 F146 L173 L174 V177 R180 H181 A182L110-V144 HydrophobicContact CD2-CG2 4.48Å; L110-V144 WeakPolarHBondContact O-CA 3.49Å; Q112-V144 HydrophobicContact CB-CG1 4.4Å; V144-F146 HydrophobicContact CG1-CD2 4.24Å; V144-F146 HydrophobicContact CG1-CE1 4.14Å; V144-F146 HydrophobicContact CG1-CE2 3.82Å; V144-F146 HydrophobicContact CG1-CZ 3.76Å; V144-L173 HydrophobicContact CG2-CD2 4.08Å; V144-L173 HydrophobicContact CG2-CG 4.15Å; V144-L174 HydrophobicContact CB-CD2 4.09Å; V144-L174 HydrophobicContact CG2-CD2 3.96Å; V144-V177 HydrophobicContact CG2-CG2 4.24Å; V144-R180 PolarHBondContact N-O 2.98Å; V144-H181 HydrophobicContact CB-CB 4.16Å; V144-H181 CarbonylContact O-C 3.59Å; V144-H181 WeakPolarHBondContact O-CA 3.4Å; V144-A182 PolarHBondContact O-N 2.92Å
145L98.3Very high95.4Very high3 Ų343.1 Ų43.12%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-117112.6174.2-176.561.5000109.9T24 L110 V111 Q112 A182 L184 I198T24-L145 HydrophobicContact CG2-CD2 3.32Å; L110-L145 PolarHBondContact O-N 2.96Å; V111-L145 WeakPolarHBondContact CA-O 3.33Å; Q112-L145 PolarHBondContact N-O 2.92Å; L145-A182 HydrophobicContact CD1-CB 3.93Å; L145-A182 WeakPolarHBondContact CD1-O 3.3Å; L145-L184 HydrophobicContact CD1-CB 4.15Å; L145-L184 HydrophobicContact CG-CB 4.44Å; L145-I198 HydrophobicContact CD1-CD1 3.49Å; L145-I198 VanDerWaalsContact CD1-CD1 3.49Å; L145-I198 HydrophobicContact CD1-CG1 4.22Å
146F97.6Very high95.3Very high0 Ų044.7 Ų44.70%026%0.262CS..EExtended strand (participates in β ladder)trans-82.5116.5177.1-66.5-77.6000110.4Q112 A114 V144 Y162 L163 L170 L174 H181 A182 F183 L184Q112-F146 HydrophobicContact CB-CD1 4.24Å; Q112-F146 HydrophobicContact CB-CE1 4.38Å; Q112-F146 HydrophobicContact CG-CD1 4.12Å; Q112-F146 HydrophobicContact CG-CE1 4.05Å; Q112-F146 CarbonylContact O-C 3.4Å; Q112-F146 WeakPolarHBondContact O-CA 3.44Å; A114-F146 HydrophobicContact CB-CB 4.49Å; V144-F146 HydrophobicContact CG1-CD2 4.24Å; V144-F146 HydrophobicContact CG1-CE1 4.14Å; V144-F146 HydrophobicContact CG1-CE2 3.82Å; V144-F146 HydrophobicContact CG1-CZ 3.76Å; F146-Y162 HydrophobicContact CD1-CE1 4.3Å; F146-Y162 HydrophobicContact CE1-CE1 4.13Å; F146-Y162 HydrophobicContact CZ-CE1 4.44Å; F146-L163 HydrophobicContact CE2-CD2 4.07Å; F146-L163 HydrophobicContact CZ-CD2 4.16Å; F146-L170 HydrophobicContact CE1-CD1 4.33Å; F146-L170 HydrophobicContact CE1-CD2 4.1Å; F146-L170 HydrophobicContact CZ-CD1 4.08Å; F146-L170 HydrophobicContact CZ-CD2 4.09Å; F146-L174 HydrophobicContact CE2-CD2 4.44Å; F146-L174 HydrophobicContact CZ-CD2 4.49Å; F146-H181 HydrophobicContact CD2-CB 4.48Å; F146-H181 HydrophobicContact CE2-CB 4.04Å; F146-A182 PolarHBondContact N-O 3.09Å; F146-F183 HydrophobicContact CB-CD1 3.48Å; F146-F183 VanDerWaalsContact CB-CD1 3.48Å; F146-F183 HydrophobicContact CB-CE1 3.75Å; F146-F183 HydrophobicContact CB-CG 4.22Å; F146-F183 AromaticContact CD2-CD1 3.99Å; F146-F183 HydrophobicContact CD2-CD1 3.99Å; F146-F183 AromaticContact CD2-CE1 3.57Å; F146-F183 HydrophobicContact CD2-CE1 3.57Å; F146-F183 HydrophobicContact CD2-CE2 4.24Å; F146-F183 HydrophobicContact CD2-CG 4.47Å; F146-F183 AromaticContact CD2-CZ 3.72Å; F146-F183 HydrophobicContact CD2-CZ 3.72Å; F146-F183 HydrophobicContact CE2-CE1 4.29Å; F146-F183 HydrophobicContact CE2-CZ 4.11Å; F146-F183 AromaticContact CG-CD1 3.98Å; F146-F183 HydrophobicContact CG-CD1 3.98Å; F146-F183 AromaticContact CG-CE1 3.72Å; F146-F183 HydrophobicContact CG-CE1 3.72Å; F146-F183 HydrophobicContact CG-CZ 4.33Å; F146-L184 WeakPolarHBondContact O-CA 3.49Å; F146-L184 WeakPolarHBondContact O-CB 3.32Å; F146-L184 PolarHBondContact O-N 2.77Å
147T95.6Very high95.4Very high6 Ų639.7 Ų39.74%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-93168.4170.765.50000110.5S19 V111 Q112 A114 A149 L184S19-T147 PolarHBondContact O-OG1 3.24Å; V111-T147 HydrophobicContact CG1-CG2 3.38Å; Q112-T147 PolarHBondContact O-N 2.86Å; A114-T147 WeakPolarHBondContact CB-O 3.4Å; A114-T147 PolarHBondContact N-O 2.58Å; T147-A149 PolarHBondContact O-N 2.98Å; T147-L184 HydrophobicContact CG2-CD2 4.22Å
148H94Very high95.5Very high52 Ų5239.8 Ų39.824%0.24124%0.235CC..  trans59.829.2-176.6-54.971.5000112R113 E150 K151 L184R113-H148 VanDerWaalsContact CZ-CE1 3.46Å; R113-H148 VanDerWaalsContact CZ-NE2 3.34Å; R113-H148 PolarHBondContact NH1-CE1 2.93Å; R113-H148 PolarHBondContact NH1-NE2 3.21Å; R113-H148 PolarHBondContact NH2-CD2 3.04Å; R113-H148 VanDerWaalsContact NH2-CD2 3.26Å; R113-H148 PolarHBondContact NH2-NE2 3.22Å; H148-E150 VanDerWaalsContact CA-OE1 3.32Å; H148-E150 WeakPolarHBondContact CA-OE1 3.18Å; H148-E150 WeakPolarHBondContact CA-OE2 3.48Å; H148-E150 IonicContact CD2-OE1 3.66Å; H148-E150 PolarHBondContact O-N 2.84Å; H148-K151 HydrophobicContact CB-CG 4.18Å; H148-K151 VanDerWaalsContact O-CB 3.27Å; H148-K151 WeakPolarHBondContact O-CB 3.31Å; H148-K151 VanDerWaalsContact O-CG 3.3Å; H148-K151 WeakPolarHBondContact O-CG 3.2Å; H148-K151 PolarHBondContact O-N 3.06Å; H148-L184 PolarHBondContact N-O 3.02Å
149A94.3Very high95.4Very high0 Ų042.4 Ų42.40%025%0.248CC..THydrogen-bonded Turntrans-66.6-19.2-177.400000112.1T147 K151 I152 E153 F183 L184 Y185T147-A149 PolarHBondContact O-N 2.98Å; A149-K151 PolarHBondContact O-N 3.19Å; A149-K151 VanDerWaalsContact O-N 3.09Å; A149-I152 WeakPolarHBondContact O-CB 3.37Å; A149-I152 PolarHBondContact O-N 3.35Å; A149-E153 PolarHBondContact O-N 2.89Å; A149-F183 HydrophobicContact CB-CB 3.78Å; A149-F183 HydrophobicContact CB-CD1 3.99Å; A149-F183 HydrophobicContact CB-CG 4.38Å; A149-L184 WeakPolarHBondContact CB-O 3.44Å; A149-L184 PolarHBondContact N-O 3.37Å; A149-L184 VanDerWaalsContact N-O 3.15Å; A149-Y185 VanDerWaalsContact C-CE1 3.43Å; A149-Y185 HydrophobicContact CB-CD1 3.7Å; A149-Y185 HydrophobicContact CB-CD2 4.06Å; A149-Y185 HydrophobicContact CB-CE1 3.57Å; A149-Y185 HydrophobicContact CB-CE2 3.97Å; A149-Y185 HydrophobicContact CB-CG 3.92Å; A149-Y185 VanDerWaalsContact O-CE1 3.24Å; A149-Y185 WeakPolarHBondContact O-CE1 3.42Å
150E92.6Very high95.4Very high36 Ų3644.5 Ų44.517%0.16826%0.264CS..Hα-helixtrans-59.1-19.8170.574-69.2159.200113H148 A154 Y185 D186H148-E150 VanDerWaalsContact CA-OE1 3.32Å; H148-E150 WeakPolarHBondContact CA-OE1 3.18Å; H148-E150 WeakPolarHBondContact CA-OE2 3.48Å; H148-E150 IonicContact CD2-OE1 3.66Å; H148-E150 PolarHBondContact O-N 2.84Å; E150-A154 VanDerWaalsContact O-CB 3.24Å; E150-A154 WeakPolarHBondContact O-CB 3.38Å; E150-A154 PolarHBondContact O-N 3.41Å; E150-Y185 HydrophobicContact CB-CD1 4.36Å; E150-D186 PolarHBondContact OE2-N 2.92Å
151K94.1Very high95.4Very high111 Ų11146.3 Ų46.348%0.48327%0.27SS..Hα-helixtrans-70.4-31.6172.1-58.1-62-178.7-174.90112.7D115 H148 A149 A155D115-K151 HydrophobicContact CB-CB 4.11Å; D115-K151 HydrophobicContact CB-CG 3.96Å; H148-K151 HydrophobicContact CB-CG 4.18Å; H148-K151 VanDerWaalsContact O-CB 3.27Å; H148-K151 WeakPolarHBondContact O-CB 3.31Å; H148-K151 VanDerWaalsContact O-CG 3.3Å; H148-K151 WeakPolarHBondContact O-CG 3.2Å; H148-K151 PolarHBondContact O-N 3.06Å; A149-K151 PolarHBondContact O-N 3.19Å; A149-K151 VanDerWaalsContact O-N 3.09Å; K151-A155 WeakPolarHBondContact O-CB 3.18Å; K151-A155 PolarHBondContact O-N 2.85Å; K151-A155 VanDerWaalsContact O-N 3.13Å
152I93.3Very high95.2Very high8 Ų847.6 Ų47.64%0.04128%0.275CS..Hα-helixtrans-68.3-50.5174-60.6168000109A114 A149 A154 A155 G156 I157 Y162 F183A114-I152 HydrophobicContact CB-CD1 3.7Å; A114-I152 HydrophobicContact CB-CG1 3.98Å; A149-I152 WeakPolarHBondContact O-CB 3.37Å; A149-I152 PolarHBondContact O-N 3.35Å; I152-A154 VanDerWaalsContact C-N 3.32Å; I152-A154 PolarHBondContact O-N 3.32Å; I152-A155 WeakPolarHBondContact O-CB 3.38Å; I152-A155 PolarHBondContact O-N 2.89Å; I152-A155 VanDerWaalsContact O-N 3.08Å; I152-G156 PolarHBondContact O-N 3.38Å; I152-I157 HydrophobicContact CG2-CB 4.17Å; I152-I157 VanDerWaalsContact CG2-O 3.3Å; I152-I157 WeakPolarHBondContact CG2-O 3.42Å; I152-I157 PolarHBondContact O-N 2.95Å; I152-Y162 HydrophobicContact CD1-CD1 3.89Å; I152-Y162 HydrophobicContact CD1-CD2 3.74Å; I152-Y162 HydrophobicContact CD1-CE1 4.2Å; I152-Y162 HydrophobicContact CD1-CE2 4.04Å; I152-Y162 HydrophobicContact CD1-CG 3.66Å; I152-Y162 HydrophobicContact CG1-CD2 3.73Å; I152-Y162 HydrophobicContact CG1-CE2 4.08Å; I152-Y162 HydrophobicContact CG1-CG 4.1Å; I152-F183 HydrophobicContact CD1-CD1 3.68Å; I152-F183 HydrophobicContact CD1-CE1 3.46Å; I152-F183 VanDerWaalsContact CD1-CE1 3.46Å
153E89.9Confident95.1Very high96 Ų9648.5 Ų48.545%0.44928%0.28SS..Hα-helixtrans-56.3-45.3175.1-89.5179.4-173.700111.3A149 A155 G156 Y185 K187A149-E153 PolarHBondContact O-N 2.89Å; E153-A155 PolarHBondContact O-N 3.22Å; E153-G156 PolarHBondContact O-N 3.37Å; E153-Y185 HydrophobicContact CB-CE1 4.4Å; E153-Y185 HydrophobicContact CG-CD1 4.24Å; E153-Y185 HydrophobicContact CG-CE1 3.66Å; E153-Y185 WeakPolarHBondContact OE1-CE1 3.32Å; E153-K187 IonicContact OE1-NZ 3.76Å; E153-K187 PolarHBondContact OE1-NZ 3.07Å; E153-K187 IonicContact OE2-NZ 3.3Å; E153-K187 PolarHBondContact OE2-NZ 2.97Å
154A93.1Very high94.9Very high89 Ų8956.3 Ų56.374%0.73632%0.316SS*.Hα-helixtrans-65.9-25179.300000113.7E150 I152 G156E150-A154 VanDerWaalsContact O-CB 3.24Å; E150-A154 WeakPolarHBondContact O-CB 3.38Å; E150-A154 PolarHBondContact O-N 3.41Å; I152-A154 VanDerWaalsContact C-N 3.32Å; I152-A154 PolarHBondContact O-N 3.32Å; A154-G156 VanDerWaalsContact C-N 3.27Å
155A93.8Very high94.5Very high64 Ų6463.6 Ų63.653%0.52935%0.35SS..THydrogen-bonded Turntrans-80.6-8.1173.400000112.9K151 I152 E153 I157K151-A155 WeakPolarHBondContact O-CB 3.18Å; K151-A155 PolarHBondContact O-N 2.85Å; K151-A155 VanDerWaalsContact O-N 3.13Å; I152-A155 WeakPolarHBondContact O-CB 3.38Å; I152-A155 PolarHBondContact O-N 2.89Å; I152-A155 VanDerWaalsContact O-N 3.08Å; E153-A155 PolarHBondContact O-N 3.22Å; A155-I157 VanDerWaalsContact C-N 3.31Å; A155-I157 HydrophobicContact CB-CD1 3.84Å; A155-I157 HydrophobicContact CB-CG1 3.98Å
156G94.4Very high94.2Very high68 Ų6864.3 Ų64.370%0.70136%0.356SS*.THydrogen-bonded Turntrans73.622.7-176.900000113.6I152 E153 A154I152-G156 PolarHBondContact O-N 3.38Å; E153-G156 PolarHBondContact O-N 3.37Å; A154-G156 VanDerWaalsContact C-N 3.27Å
157I94.9Very high93.9Very high61 Ų6166.4 Ų66.431%0.31337%0.371SS..  trans-104.9145.3-178-54.4172.3000108.4I152 A155 E161I152-I157 HydrophobicContact CG2-CB 4.17Å; I152-I157 VanDerWaalsContact CG2-O 3.3Å; I152-I157 WeakPolarHBondContact CG2-O 3.42Å; I152-I157 PolarHBondContact O-N 2.95Å; A155-I157 VanDerWaalsContact C-N 3.31Å; A155-I157 HydrophobicContact CB-CD1 3.84Å; A155-I157 HydrophobicContact CB-CG1 3.98Å; I157-E161 HydrophobicContact CG2-CB 3.5Å; I157-E161 VanDerWaalsContact CG2-CB 3.5Å
158S95.5Very high93.8Very high50 Ų5072.3 Ų72.335%0.3540%0.402SS..  trans-81.7162.1171.462.90000112.6D160 E161 Y162S158-D160 VanDerWaalsContact C-N 3.26Å; S158-D160 PolarHBondContact O-N 3.49Å; S158-E161 PolarHBondContact N-OE2 3.29Å; S158-E161 PolarHBondContact O-N 2.56Å; S158-E161 WeakPolarHBondContact OG-CB 3.17Å; S158-E161 WeakPolarHBondContact OG-CG 3.41Å; S158-E161 PolarHBondContact OG-N 2.98Å; S158-E161 PolarHBondContact OG-OE2 3.42Å; S158-Y162 WeakPolarHBondContact O-CB 3.19Å; S158-Y162 PolarHBondContact O-N 3.45Å
159E95.5Very high93.7Very high74 Ų7472.8 Ų72.835%0.34641%0.409SS..Hα-helixtrans-58.7-39173.9-67.2180-17700111.9Y162 L163 F183 Y185E159-Y162 WeakPolarHBondContact O-CB 3.22Å; E159-Y162 PolarHBondContact O-N 3.03Å; E159-L163 VanDerWaalsContact O-CG 3.32Å; E159-L163 WeakPolarHBondContact O-CG 3.33Å; E159-L163 PolarHBondContact O-N 3.1Å; E159-F183 HydrophobicContact CB-CD2 4.05Å; E159-F183 HydrophobicContact CB-CE2 3.67Å; E159-F183 HydrophobicContact CB-CZ 4.07Å; E159-F183 HydrophobicContact CG-CD1 4.37Å; E159-F183 HydrophobicContact CG-CD2 3.6Å; E159-F183 HydrophobicContact CG-CE2 3.75Å; E159-F183 HydrophobicContact CG-CG 3.93Å; E159-F183 HydrophobicContact CG-CZ 4.21Å; E159-F183 WeakPolarHBondContact OE1-CB 3.24Å; E159-F183 WeakPolarHBondContact OE2-CD2 3.35Å; E159-Y185 WeakPolarHBondContact CG-OH 3.49Å; E159-Y185 WeakPolarHBondContact OE1-CE2 3.33Å; E159-Y185 PolarHBondContact OE1-OH 2.92Å
160D95.8Very high93.7Very high132 Ų13273.1 Ų73.171%0.70641%0.411SS*.Hα-helixtrans-67.2-44179-69.9-31.2000112.1S158 L163 H164S158-D160 VanDerWaalsContact C-N 3.26Å; S158-D160 PolarHBondContact O-N 3.49Å; D160-L163 PolarHBondContact O-N 3.25Å; D160-H164 WeakPolarHBondContact O-CB 3.26Å; D160-H164 PolarHBondContact O-N 3Å
161E96.2Very high93.8Very high103 Ų10374 Ų7448%0.48142%0.416SS..Hα-helixtrans-63.1-42.2174.8-74.3163165.900111.3I157 S158 L163 H164 E165I157-E161 HydrophobicContact CG2-CB 3.5Å; I157-E161 VanDerWaalsContact CG2-CB 3.5Å; S158-E161 PolarHBondContact N-OE2 3.29Å; S158-E161 PolarHBondContact O-N 2.56Å; S158-E161 WeakPolarHBondContact OG-CB 3.17Å; S158-E161 WeakPolarHBondContact OG-CG 3.41Å; S158-E161 PolarHBondContact OG-N 2.98Å; S158-E161 PolarHBondContact OG-OE2 3.42Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.3Å; E161-H164 PolarHBondContact O-N 3.46Å; E161-E165 PolarHBondContact O-N 3.03Å
162Y95.7Very high93.9Very high45 Ų4572.8 Ų72.818%0.17642%0.419CS..Hα-helixtrans-57.4-42.8175.8174.5-93.9000112.1A114 F146 I152 S158 E159 A166 F183A114-Y162 VanDerWaalsContact CA-OH 3.32Å; A114-Y162 WeakPolarHBondContact CA-OH 3.29Å; A114-Y162 HydrophobicContact CB-CE2 4.5Å; A114-Y162 WeakPolarHBondContact O-CE2 3.31Å; A114-Y162 PolarHBondContact O-OH 3.02Å; F146-Y162 HydrophobicContact CD1-CE1 4.3Å; F146-Y162 HydrophobicContact CE1-CE1 4.13Å; F146-Y162 HydrophobicContact CZ-CE1 4.44Å; I152-Y162 HydrophobicContact CD1-CD1 3.89Å; I152-Y162 HydrophobicContact CD1-CD2 3.74Å; I152-Y162 HydrophobicContact CD1-CE1 4.2Å; I152-Y162 HydrophobicContact CD1-CE2 4.04Å; I152-Y162 HydrophobicContact CD1-CG 3.66Å; I152-Y162 HydrophobicContact CG1-CD2 3.73Å; I152-Y162 HydrophobicContact CG1-CE2 4.08Å; I152-Y162 HydrophobicContact CG1-CG 4.1Å; S158-Y162 WeakPolarHBondContact O-CB 3.19Å; S158-Y162 PolarHBondContact O-N 3.45Å; E159-Y162 WeakPolarHBondContact O-CB 3.22Å; E159-Y162 PolarHBondContact O-N 3.03Å; Y162-A166 PolarHBondContact O-N 2.88Å; Y162-F183 AromaticContact CD1-CE1 3.83Å; Y162-F183 HydrophobicContact CD1-CE1 3.83Å; Y162-F183 AromaticContact CD1-CZ 3.97Å; Y162-F183 HydrophobicContact CD1-CZ 3.97Å; Y162-F183 HydrophobicContact CE1-CE1 4.05Å; Y162-F183 HydrophobicContact CE1-CZ 4.44Å
163L95.3Very high94Very high18 Ų1873 Ų739%0.09442%0.419CS..Hα-helixtrans-75.3-31.2178.5-66.3173.8000112.8F146 E159 D160 E161 E165 A166 L174 H181 F183F146-L163 HydrophobicContact CE2-CD2 4.07Å; F146-L163 HydrophobicContact CZ-CD2 4.16Å; E159-L163 VanDerWaalsContact O-CG 3.32Å; E159-L163 WeakPolarHBondContact O-CG 3.33Å; E159-L163 PolarHBondContact O-N 3.1Å; D160-L163 PolarHBondContact O-N 3.25Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.3Å; L163-E165 VanDerWaalsContact C-N 3.28Å; L163-E165 PolarHBondContact O-N 2.91Å; L163-A166 WeakPolarHBondContact O-CB 3.49Å; L163-A166 PolarHBondContact O-N 3.39Å; L163-L174 HydrophobicContact CD2-CD1 3.75Å; L163-H181 WeakPolarHBondContact CD1-NE2 3.38Å; L163-F183 HydrophobicContact CD1-CE2 4.26Å; L163-F183 HydrophobicContact CD1-CZ 4.2Å; L163-F183 HydrophobicContact CD2-CZ 4.14Å; L163-F183 HydrophobicContact CG-CZ 4.1Å
164H93.8Very high94.4Very high165 Ų16568.4 Ų68.476%0.76440%0.398SS*.Hα-helixtrans-64.2-35.7174.1-178.7-74.4000111.7D160 E161 A166D160-H164 WeakPolarHBondContact O-CB 3.26Å; D160-H164 PolarHBondContact O-N 3Å; E161-H164 PolarHBondContact O-N 3.46Å; H164-A166 VanDerWaalsContact C-N 3.28Å; H164-A166 PolarHBondContact O-N 3.2Å
165E91.3Very high94.6Very high154 Ų15469.2 Ų69.272%0.7239%0.39SS*.THydrogen-bonded Turntrans-85.13.6176.7-64.1-173174.200113.7E161 L163E161-E165 PolarHBondContact O-N 3.03Å; L163-E165 VanDerWaalsContact C-N 3.28Å; L163-E165 PolarHBondContact O-N 2.91Å
166A91.5Very high94.7Very high18 Ų1867.4 Ų67.415%0.14937%0.374CS..  trans-64.1150.4-178.700000112.9Y162 L163 H164 L170 L171Y162-A166 PolarHBondContact O-N 2.88Å; L163-A166 WeakPolarHBondContact O-CB 3.49Å; L163-A166 PolarHBondContact O-N 3.39Å; H164-A166 VanDerWaalsContact C-N 3.28Å; H164-A166 PolarHBondContact O-N 3.2Å; A166-L170 HydrophobicContact CB-CB 4.23Å; A166-L170 HydrophobicContact CB-CD2 3.86Å; A166-L170 HydrophobicContact CB-CG 4.18Å; A166-L171 HydrophobicContact CB-CD2 4Å; A166-L171 HydrophobicContact CB-CG 4.06Å
167S91.8Very high94.8Very high45 Ų4564.2 Ų64.232%0.31534%0.341SS..  trans-63.2151.6173.670.30000111.7F118 T169 L170 L171F118-S167 PolarHBondContact O-OG 2.83Å; S167-T169 PolarHBondContact O-N 3.15Å; S167-L170 PolarHBondContact O-N 3.12Å; S167-L170 PolarHBondContact OG-N 3.46Å; S167-L171 PolarHBondContact O-N 2.69Å
168D92.3Very high94.9Very high129 Ų12965.7 Ų65.769%0.6935%0.346SS*.Hα-helixtrans-52.5-33.4173.7-69.3-28000112.5T172D168-T172 VanDerWaalsContact O-CB 3.25Å; D168-T172 WeakPolarHBondContact O-CB 3.5Å; D168-T172 PolarHBondContact O-N 3.42Å; D168-T172 PolarHBondContact O-OG1 3.46Å
169T92.7Very high95Very high63 Ų6367 Ų6739%0.38735%0.347SS..Hα-helixtrans-66.2-44177.4-53.10000111.4F118 S167 L173F118-T169 HydrophobicContact CD1-CG2 4.01Å; F118-T169 HydrophobicContact CE1-CG2 3.86Å; S167-T169 PolarHBondContact O-N 3.15Å; T169-L173 PolarHBondContact O-N 2.86Å; T169-L173 VanDerWaalsContact O-N 3.11Å
170L94.5Very high95.1Very high6 Ų663.8 Ų63.83%0.03133%0.331CS..Hα-helixtrans-68.8-43.2176.4-177.854.3000111.2F118 F146 A166 S167 T172 L173 L174F118-L170 HydrophobicContact CB-CB 4.16Å; F118-L170 HydrophobicContact CB-CD1 4.29Å; F118-L170 HydrophobicContact CB-CD2 4.34Å; F118-L170 HydrophobicContact CD1-CB 4Å; F118-L170 HydrophobicContact CD1-CD1 4.14Å; F118-L170 HydrophobicContact CG-CB 4.4Å; F118-L170 HydrophobicContact CG-CD1 4.15Å; F146-L170 HydrophobicContact CE1-CD1 4.33Å; F146-L170 HydrophobicContact CE1-CD2 4.1Å; F146-L170 HydrophobicContact CZ-CD1 4.08Å; F146-L170 HydrophobicContact CZ-CD2 4.09Å; A166-L170 HydrophobicContact CB-CB 4.23Å; A166-L170 HydrophobicContact CB-CD2 3.86Å; A166-L170 HydrophobicContact CB-CG 4.18Å; S167-L170 PolarHBondContact O-N 3.12Å; S167-L170 PolarHBondContact OG-N 3.46Å; L170-T172 VanDerWaalsContact C-N 3.3Å; L170-T172 PolarHBondContact O-N 3.21Å; L170-L173 HydrophobicContact CD1-CD2 4.27Å; L170-L173 WeakPolarHBondContact O-CB 3.25Å; L170-L173 PolarHBondContact O-N 3.05Å; L170-L173 VanDerWaalsContact O-N 3.16Å; L170-L174 HydrophobicContact CD1-CD1 4.33Å; L170-L174 HydrophobicContact CD1-CG 4.24Å; L170-L174 HydrophobicContact CG-CD1 4.06Å; L170-L174 HydrophobicContact CG-CG 4.44Å; L170-L174 WeakPolarHBondContact O-CG 3.43Å; L170-L174 PolarHBondContact O-N 3.26Å
171L95.3Very high95.2Very high54 Ų5458.8 Ų58.828%0.28330%0.304SS..Hα-helixtrans-59.7-41.4175.7-67.8176.5000111.6A166 S167 L173 L174 N175A166-L171 HydrophobicContact CB-CD2 4Å; A166-L171 HydrophobicContact CB-CG 4.06Å; S167-L171 PolarHBondContact O-N 2.69Å; L171-L173 PolarHBondContact O-N 3.3Å; L171-L174 PolarHBondContact O-N 3Å; L171-N175 VanDerWaalsContact O-CB 3.31Å; L171-N175 WeakPolarHBondContact O-CB 3.37Å; L171-N175 VanDerWaalsContact O-CG 3.24Å; L171-N175 PolarHBondContact O-N 3.38Å; L171-N175 PolarHBondContact O-ND2 2.77Å; L171-N175 VanDerWaalsContact O-ND2 3.08Å
172T95.1Very high95.3Very high87 Ų8754.3 Ų54.353%0.53429%0.285SS..Hα-helixtrans-62.8-41175.6-62.10000112D168 L170 S176D168-T172 VanDerWaalsContact O-CB 3.25Å; D168-T172 WeakPolarHBondContact O-CB 3.5Å; D168-T172 PolarHBondContact O-N 3.42Å; D168-T172 PolarHBondContact O-OG1 3.46Å; L170-T172 VanDerWaalsContact C-N 3.3Å; L170-T172 PolarHBondContact O-N 3.21Å; T172-S176 WeakPolarHBondContact O-CB 3.44Å; T172-S176 PolarHBondContact O-N 3.5Å; T172-S176 PolarHBondContact O-OG 3.28Å
173L96.1Very high95.3Very high11 Ų1153 Ų536%0.05828%0.28CS..Hα-helixtrans-63.1-50.9174.3169.362.8000111.1L110 F118 V127 W138 V144 T169 L170 L171 N175 S176 V177L110-L173 HydrophobicContact CD2-CD1 4.2Å; L110-L173 HydrophobicContact CD2-CD2 3.7Å; F118-L173 HydrophobicContact CE1-CB 4.47Å; F118-L173 HydrophobicContact CE1-CD2 3.83Å; F118-L173 HydrophobicContact CE2-CD2 4.16Å; F118-L173 HydrophobicContact CZ-CD2 3.58Å; V127-L173 HydrophobicContact CG1-CD1 4.14Å; V127-L173 HydrophobicContact CG2-CD1 4.01Å; V127-L173 HydrophobicContact CG2-CD2 4.14Å; W138-L173 HydrophobicContact CH2-CD1 4.11Å; W138-L173 HydrophobicContact CZ3-CD1 4.18Å; V144-L173 HydrophobicContact CG2-CD2 4.08Å; V144-L173 HydrophobicContact CG2-CG 4.15Å; T169-L173 PolarHBondContact O-N 2.86Å; T169-L173 VanDerWaalsContact O-N 3.11Å; L170-L173 HydrophobicContact CD1-CD2 4.27Å; L170-L173 WeakPolarHBondContact O-CB 3.25Å; L170-L173 PolarHBondContact O-N 3.05Å; L170-L173 VanDerWaalsContact O-N 3.16Å; L171-L173 PolarHBondContact O-N 3.3Å; L173-N175 VanDerWaalsContact C-N 3.32Å; L173-N175 PolarHBondContact O-N 3.44Å; L173-S176 WeakPolarHBondContact O-CB 3.07Å; L173-S176 PolarHBondContact O-N 3.39Å; L173-V177 HydrophobicContact CD1-CG1 4.49Å; L173-V177 PolarHBondContact O-N 2.77Å; L173-V177 VanDerWaalsContact O-N 3.12Å
174L97.3Very high95.2Very high0 Ų052.7 Ų52.70%028%0.278CS..Hα-helixtrans-59.5-43.5179.9-69.7171.1000111.4V144 F146 L163 L170 L171 S176 V177 Q178 Q179 H181V144-L174 HydrophobicContact CB-CD2 4.09Å; V144-L174 HydrophobicContact CG2-CD2 3.96Å; F146-L174 HydrophobicContact CE2-CD2 4.44Å; F146-L174 HydrophobicContact CZ-CD2 4.49Å; L163-L174 HydrophobicContact CD2-CD1 3.75Å; L170-L174 HydrophobicContact CD1-CD1 4.33Å; L170-L174 HydrophobicContact CD1-CG 4.24Å; L170-L174 HydrophobicContact CG-CD1 4.06Å; L170-L174 HydrophobicContact CG-CG 4.44Å; L170-L174 WeakPolarHBondContact O-CG 3.43Å; L170-L174 PolarHBondContact O-N 3.26Å; L171-L174 PolarHBondContact O-N 3Å; L174-S176 VanDerWaalsContact C-N 3.32Å; L174-S176 PolarHBondContact O-N 2.79Å; L174-V177 CarbonylContact O-C 3.56Å; L174-V177 WeakPolarHBondContact O-CG2 3.25Å; L174-V177 PolarHBondContact O-N 2.72Å; L174-Q178 PolarHBondContact O-N 3.47Å; L174-Q179 WeakPolarHBondContact O-CA 3.4Å; L174-Q179 PolarHBondContact O-N 2.82Å; L174-H181 HydrophobicContact CD2-CB 3.8Å
175N97.2Very high95Very high106 Ų10646.3 Ų46.357%0.56725%0.248SC*.Hα-helixtrans-61.2-39.8173.7-76.2-35.5000112.2L171 L173 V177 Q178 Q179L171-N175 VanDerWaalsContact O-CB 3.31Å; L171-N175 WeakPolarHBondContact O-CB 3.37Å; L171-N175 VanDerWaalsContact O-CG 3.24Å; L171-N175 PolarHBondContact O-N 3.38Å; L171-N175 PolarHBondContact O-ND2 2.77Å; L171-N175 VanDerWaalsContact O-ND2 3.08Å; L173-N175 VanDerWaalsContact C-N 3.32Å; L173-N175 PolarHBondContact O-N 3.44Å; N175-V177 VanDerWaalsContact C-N 3.27Å; N175-V177 PolarHBondContact O-N 2.78Å; N175-Q178 PolarHBondContact O-N 3.35Å; N175-Q179 PolarHBondContact OD1-NE2 2.62Å
176S97Very high94.3Very high27 Ų2744.8 Ų44.819%0.18924%0.244CC..Hα-helixtrans-63.4-32.9178.3-65.60000112.8K139 T172 L173 L174 Q178K139-S176 VanDerWaalsContact CB-O 3.26Å; K139-S176 WeakPolarHBondContact CB-O 3.42Å; K139-S176 WeakPolarHBondContact CD-O 3.34Å; K139-S176 WeakPolarHBondContact CG-O 3.25Å; T172-S176 WeakPolarHBondContact O-CB 3.44Å; T172-S176 PolarHBondContact O-N 3.5Å; T172-S176 PolarHBondContact O-OG 3.28Å; L173-S176 WeakPolarHBondContact O-CB 3.07Å; L173-S176 PolarHBondContact O-N 3.39Å; L174-S176 VanDerWaalsContact C-N 3.32Å; L174-S176 PolarHBondContact O-N 2.79Å; S176-Q178 VanDerWaalsContact C-N 3.34Å
177V97.1Very high93.1Very high0 Ų049.5 Ų49.50%026%0.261CS..THydrogen-bonded Turntrans-97.823177.6-57.20000113W138 T142 V144 L173 L174 N175 Q179 R180W138-V177 HydrophobicContact CE3-CG1 4.4Å; W138-V177 HydrophobicContact CH2-CG1 4.23Å; W138-V177 HydrophobicContact CZ3-CG1 3.66Å; T142-V177 HydrophobicContact CG2-CG1 4.03Å; V144-V177 HydrophobicContact CG2-CG2 4.24Å; L173-V177 HydrophobicContact CD1-CG1 4.49Å; L173-V177 PolarHBondContact O-N 2.77Å; L173-V177 VanDerWaalsContact O-N 3.12Å; L174-V177 CarbonylContact O-C 3.56Å; L174-V177 WeakPolarHBondContact O-CG2 3.25Å; L174-V177 PolarHBondContact O-N 2.72Å; N175-V177 VanDerWaalsContact C-N 3.27Å; N175-V177 PolarHBondContact O-N 2.78Å; V177-Q179 VanDerWaalsContact C-N 3.29Å; V177-Q179 PolarHBondContact O-N 3.16Å; V177-R180 WeakPolarHBondContact O-CB 3.47Å; V177-R180 WeakPolarHBondContact O-CG 3.5Å; V177-R180 PolarHBondContact O-N 3.46Å; V177-R180 VanDerWaalsContact O-N 3.12Å; V177-R180 PolarHBondContact O-NE 2.84Å; V177-R180 PolarHBondContact O-NH2 2.87Å
178Q96.4Very high91.3Very high93 Ų9350.3 Ų50.344%0.43528%0.277SS..THydrogen-bonded Turntrans5442.3177.4-58116.232.200113.4N140 L174 N175 S176 R180N140-Q178 PolarHBondContact OD1-NE2 3.32Å; L174-Q178 PolarHBondContact O-N 3.47Å; N175-Q178 PolarHBondContact O-N 3.35Å; S176-Q178 VanDerWaalsContact C-N 3.34Å; Q178-R180 PolarHBondContact O-N 3.48Å; Q178-R180 VanDerWaalsContact O-N 3.1Å
179Q96.9Very high89.4Confident76 Ų7650.2 Ų50.236%0.35528%0.276SS..THydrogen-bonded Turntrans60.317.2179.3-61.7-64.2-32.600114.3L174 N175 V177 H181L174-Q179 WeakPolarHBondContact O-CA 3.4Å; L174-Q179 PolarHBondContact O-N 2.82Å; N175-Q179 PolarHBondContact OD1-NE2 2.62Å; V177-Q179 VanDerWaalsContact C-N 3.29Å; V177-Q179 PolarHBondContact O-N 3.16Å; Q179-H181 PolarHBondContact O-N 2.82Å; Q179-H181 PolarHBondContact O-ND1 3.41Å
180R98Very high87.5Confident7 Ų756 Ų563%0.02629%0.291CS..  trans-7099172.9-71.3-169.6-76.3-80.3-5.8111K139 T142 A143 V144 V177 Q178 F205 E208K139-R180 PolarHBondContact O-NH2 3.26Å; T142-R180 PolarHBondContact O-NE 2.85Å; T142-R180 VanDerWaalsContact O-NE 3.11Å; A143-R180 CarbonylContact C-O 3.51Å; A143-R180 WeakPolarHBondContact CA-O 3.35Å; A143-R180 HydrophobicContact CB-CB 3.78Å; V144-R180 PolarHBondContact N-O 2.98Å; V177-R180 WeakPolarHBondContact O-CB 3.47Å; V177-R180 WeakPolarHBondContact O-CG 3.5Å; V177-R180 PolarHBondContact O-N 3.46Å; V177-R180 VanDerWaalsContact O-N 3.12Å; V177-R180 PolarHBondContact O-NE 2.84Å; V177-R180 PolarHBondContact O-NH2 2.87Å; Q178-R180 PolarHBondContact O-N 3.48Å; Q178-R180 VanDerWaalsContact O-N 3.1Å; R180-F205 HydrophobicContact CB-CD1 3.91Å; R180-F205 HydrophobicContact CB-CD2 4.25Å; R180-F205 HydrophobicContact CB-CE1 3.91Å; R180-F205 HydrophobicContact CB-CE2 4.25Å; R180-F205 HydrophobicContact CB-CG 4.09Å; R180-F205 HydrophobicContact CB-CZ 4.07Å; R180-F205 VanDerWaalsContact CD-CB 3.49Å; R180-F205 HydrophobicContact CG-CB 4.32Å; R180-F205 HydrophobicContact CG-CD1 3.47Å; R180-F205 VanDerWaalsContact CG-CD1 3.47Å; R180-F205 HydrophobicContact CG-CE1 3.85Å; R180-F205 HydrophobicContact CG-CG 3.84Å; R180-F205 HydrophobicContact CG-CZ 4.5Å; R180-E208 IonicContact NH1-OE2 3.79Å
181H97.9Very high85.6Confident27 Ų2759.3 Ų59.313%0.12531%0.314CS..EExtended strand (participates in β ladder)trans-144.8157.5173.767.8-81.1000112.6V144 F146 L163 L174 Q179 F183 F205V144-H181 HydrophobicContact CB-CB 4.16Å; V144-H181 CarbonylContact O-C 3.59Å; V144-H181 WeakPolarHBondContact O-CA 3.4Å; F146-H181 HydrophobicContact CD2-CB 4.48Å; F146-H181 HydrophobicContact CE2-CB 4.04Å; L163-H181 WeakPolarHBondContact CD1-NE2 3.38Å; L174-H181 HydrophobicContact CD2-CB 3.8Å; Q179-H181 PolarHBondContact O-N 2.82Å; Q179-H181 PolarHBondContact O-ND1 3.41Å; H181-F183 AromaticContact CD2-CE2 3.6Å; H181-F183 AromaticContact NE2-CE2 3.99Å; H181-F205 WeakPolarHBondContact O-CZ 3.22Å
182A97.4Very high84.2Confident10 Ų1062.4 Ų62.48%0.08333%0.331CS..EExtended strand (participates in β ladder)trans-147.5160.6174.700000110.8V144 L145 F146 I198 R201V144-A182 PolarHBondContact O-N 2.92Å; L145-A182 HydrophobicContact CD1-CB 3.93Å; L145-A182 WeakPolarHBondContact CD1-O 3.3Å; F146-A182 PolarHBondContact N-O 3.09Å; A182-I198 HydrophobicContact CB-CD1 3.39Å; A182-R201 HydrophobicContact CB-CB 4.49Å; A182-R201 HydrophobicContact CB-CG 3.81Å
183F95.6Very high83.5Confident17 Ų1760.1 Ų60.18%0.07533%0.325CS..EExtended strand (participates in β ladder)trans-113.7134.7179.8-67.3-92.8000111.1F146 A149 I152 E159 Y162 L163 H181 Y185F146-F183 HydrophobicContact CB-CD1 3.48Å; F146-F183 VanDerWaalsContact CB-CD1 3.48Å; F146-F183 HydrophobicContact CB-CE1 3.75Å; F146-F183 HydrophobicContact CB-CG 4.22Å; F146-F183 AromaticContact CD2-CD1 3.99Å; F146-F183 HydrophobicContact CD2-CD1 3.99Å; F146-F183 AromaticContact CD2-CE1 3.57Å; F146-F183 HydrophobicContact CD2-CE1 3.57Å; F146-F183 HydrophobicContact CD2-CE2 4.24Å; F146-F183 HydrophobicContact CD2-CG 4.47Å; F146-F183 AromaticContact CD2-CZ 3.72Å; F146-F183 HydrophobicContact CD2-CZ 3.72Å; F146-F183 HydrophobicContact CE2-CE1 4.29Å; F146-F183 HydrophobicContact CE2-CZ 4.11Å; F146-F183 AromaticContact CG-CD1 3.98Å; F146-F183 HydrophobicContact CG-CD1 3.98Å; F146-F183 AromaticContact CG-CE1 3.72Å; F146-F183 HydrophobicContact CG-CE1 3.72Å; F146-F183 HydrophobicContact CG-CZ 4.33Å; A149-F183 HydrophobicContact CB-CB 3.78Å; A149-F183 HydrophobicContact CB-CD1 3.99Å; A149-F183 HydrophobicContact CB-CG 4.38Å; I152-F183 HydrophobicContact CD1-CD1 3.68Å; I152-F183 HydrophobicContact CD1-CE1 3.46Å; I152-F183 VanDerWaalsContact CD1-CE1 3.46Å; E159-F183 HydrophobicContact CB-CD2 4.05Å; E159-F183 HydrophobicContact CB-CE2 3.67Å; E159-F183 HydrophobicContact CB-CZ 4.07Å; E159-F183 HydrophobicContact CG-CD1 4.37Å; E159-F183 HydrophobicContact CG-CD2 3.6Å; E159-F183 HydrophobicContact CG-CE2 3.75Å; E159-F183 HydrophobicContact CG-CG 3.93Å; E159-F183 HydrophobicContact CG-CZ 4.21Å; E159-F183 WeakPolarHBondContact OE1-CB 3.24Å; E159-F183 WeakPolarHBondContact OE2-CD2 3.35Å; Y162-F183 AromaticContact CD1-CE1 3.83Å; Y162-F183 HydrophobicContact CD1-CE1 3.83Å; Y162-F183 AromaticContact CD1-CZ 3.97Å; Y162-F183 HydrophobicContact CD1-CZ 3.97Å; Y162-F183 HydrophobicContact CE1-CE1 4.05Å; Y162-F183 HydrophobicContact CE1-CZ 4.44Å; L163-F183 HydrophobicContact CD1-CE2 4.26Å; L163-F183 HydrophobicContact CD1-CZ 4.2Å; L163-F183 HydrophobicContact CD2-CZ 4.14Å; L163-F183 HydrophobicContact CG-CZ 4.1Å; H181-F183 AromaticContact CD2-CE2 3.6Å; H181-F183 AromaticContact NE2-CE2 3.99Å; F183-Y185 HydrophobicContact CB-CD2 4.46Å; F183-Y185 HydrophobicContact CB-CE2 3.67Å
184L93.4Very high82.9Confident11 Ų1161.2 Ų61.26%0.05833%0.33CS..  trans-117.3111.5-179.7-16776.7000109.2I27 L145 F146 T147 H148 A149 Q194 I198I27-L184 HydrophobicContact CD1-CD1 4.46Å; I27-L184 HydrophobicContact CD1-CD2 3.75Å; I27-L184 HydrophobicContact CD1-CG 4.35Å; I27-L184 HydrophobicContact CG2-CD1 4.17Å; L145-L184 HydrophobicContact CD1-CB 4.15Å; L145-L184 HydrophobicContact CG-CB 4.44Å; F146-L184 WeakPolarHBondContact O-CA 3.49Å; F146-L184 WeakPolarHBondContact O-CB 3.32Å; F146-L184 PolarHBondContact O-N 2.77Å; T147-L184 HydrophobicContact CG2-CD2 4.22Å; H148-L184 PolarHBondContact N-O 3.02Å; A149-L184 WeakPolarHBondContact CB-O 3.44Å; A149-L184 PolarHBondContact N-O 3.37Å; A149-L184 VanDerWaalsContact N-O 3.15Å; L184-Q194 HydrophobicContact CD1-CG 4.47Å; L184-Q194 VanDerWaalsContact CD1-NE2 3.31Å; L184-I198 HydrophobicContact CD1-CG1 4.5Å
185Y89.3Confident82.5Confident31 Ų3162.3 Ų62.312%0.12233%0.334CS..  trans-93.9131.2-178-63.8-92.1000111.3A149 E150 E153 E159 F183 K187 Q194A149-Y185 VanDerWaalsContact C-CE1 3.43Å; A149-Y185 HydrophobicContact CB-CD1 3.7Å; A149-Y185 HydrophobicContact CB-CD2 4.06Å; A149-Y185 HydrophobicContact CB-CE1 3.57Å; A149-Y185 HydrophobicContact CB-CE2 3.97Å; A149-Y185 HydrophobicContact CB-CG 3.92Å; A149-Y185 VanDerWaalsContact O-CE1 3.24Å; A149-Y185 WeakPolarHBondContact O-CE1 3.42Å; E150-Y185 HydrophobicContact CB-CD1 4.36Å; E153-Y185 HydrophobicContact CB-CE1 4.4Å; E153-Y185 HydrophobicContact CG-CD1 4.24Å; E153-Y185 HydrophobicContact CG-CE1 3.66Å; E153-Y185 WeakPolarHBondContact OE1-CE1 3.32Å; E159-Y185 WeakPolarHBondContact CG-OH 3.49Å; E159-Y185 WeakPolarHBondContact OE1-CE2 3.33Å; E159-Y185 PolarHBondContact OE1-OH 2.92Å; F183-Y185 HydrophobicContact CB-CD2 4.46Å; F183-Y185 HydrophobicContact CB-CE2 3.67Å; Y185-K187 PolarHBondContact O-N 3.15Å; Y185-K187 VanDerWaalsContact O-N 3.17Å; Y185-Q194 PolarHBondContact O-NE2 3.17Å; Y185-Q194 PolarHBondContact O-OE1 3.15Å
186D77.3Confident82.3Confident122 Ų12259.9 Ų59.965%0.65232%0.32SS*.  trans-81.693.5167.5-170.51.3000109.9E150 G188E150-D186 PolarHBondContact OE2-N 2.92Å; D186-G188 PolarHBondContact OD1-N 3.09Å
187K65.8Low82Confident117 Ų11765.7 Ų65.751%0.50934%0.342SS..  trans-9419.8179.6-64.2-165.8174.8-170.70113.7E153 Y185 N189E153-K187 IonicContact OE1-NZ 3.76Å; E153-K187 PolarHBondContact OE1-NZ 3.07Å; E153-K187 IonicContact OE2-NZ 3.3Å; E153-K187 PolarHBondContact OE2-NZ 2.97Å; Y185-K187 PolarHBondContact O-N 3.15Å; Y185-K187 VanDerWaalsContact O-N 3.17Å; K187-N189 PolarHBondContact O-N 2.94Å
188G55.4Low81.9Confident62 Ų6266.1 Ų66.164%0.63934%0.344SS*.SBendtrans66.37.8169.600000115.8D186D186-G188 PolarHBondContact OD1-N 3.09Å
189N51.2Low81.8Confident127 Ų12761.7 Ų61.768%0.67932%0.324SS*.SBendtrans-146.6142170.6-93-35.4000107.4K187 C191K187-N189 PolarHBondContact O-N 2.94Å; N189-C191 PolarHBondContact O-N 3.24Å
190W52.4Low81.7Confident184 Ų18462.7 Ų62.770%0.69733%0.328SS*.  trans-67.161.7167.6-62.3-2000109.7T32 N192T32-W190 HydrophobicContact CG2-CH2 3.38Å; T32-W190 HydrophobicContact CG2-CZ2 3.37Å; W190-N192 PolarHBondContact O-N 3.14Å
191C55.3Low81.6Confident76 Ų7666.8 Ų66.851%0.51434%0.344SS..  trans-67.7112.6-175.5-156.30000105.9N189 G193 Q194 R195N189-C191 PolarHBondContact O-N 3.24Å; C191-G193 PolarHBondContact O-N 2.96Å; C191-Q194 PolarHBondContact O-N 3.4Å; C191-R195 PolarHBondContact O-N 2.82Å
192N66.1Low81.6Confident119 Ų11965.7 Ų65.764%0.63634%0.339SS*.Hα-helixtrans-45.4-34.3175.4-76.6-30.1000111.1W190 Q194 R195 I196W190-N192 PolarHBondContact O-N 3.14Å; N192-Q194 PolarHBondContact O-N 3.41Å; N192-R195 PolarHBondContact O-N 2.52Å; N192-I196 WeakPolarHBondContact O-CB 3.45Å; N192-I196 VanDerWaalsContact O-CG1 3.25Å; N192-I196 WeakPolarHBondContact O-CG1 3.3Å; N192-I196 PolarHBondContact O-N 3.29Å
193G79.8Confident81.6Confident39 Ų3965.7 Ų65.740%0.40234%0.337SS..Hα-helixtrans-56.6-41.8175.900000114.9C191 K197C191-G193 PolarHBondContact O-N 2.96Å; G193-K197 WeakPolarHBondContact O-CB 3.28Å; G193-K197 VanDerWaalsContact O-CG 3.26Å; G193-K197 WeakPolarHBondContact O-CG 3.44Å; G193-K197 PolarHBondContact O-N 3.45Å
194Q83.7Confident81.6Confident34 Ų3469 Ų6916%0.15935%0.353CS..Hα-helixtrans-71.8-42.4178.2-177.4-178.9-0.700111.7L184 Y185 C191 N192 I196 K197 I198L184-Q194 HydrophobicContact CD1-CG 4.47Å; L184-Q194 VanDerWaalsContact CD1-NE2 3.31Å; Y185-Q194 PolarHBondContact O-NE2 3.17Å; Y185-Q194 PolarHBondContact O-OE1 3.15Å; C191-Q194 PolarHBondContact O-N 3.4Å; N192-Q194 PolarHBondContact O-N 3.41Å; Q194-I196 VanDerWaalsContact C-N 3.31Å; Q194-I196 PolarHBondContact O-N 3.27Å; Q194-K197 PolarHBondContact O-N 3.39Å; Q194-I198 PolarHBondContact O-N 3.29Å
195R89.8Confident81.8Confident24 Ų2468.7 Ų68.79%0.09135%0.351CS..Hα-helixtrans-57.7-46.2175.2177.4179.2176.4-146.1-2.6111I27 L28 L29 C191 N192 I198 L199I27-R195 WeakPolarHBondContact O-CD 3.5Å; I27-R195 VanDerWaalsContact O-CG 3.29Å; I27-R195 WeakPolarHBondContact O-CG 3.37Å; L28-R195 PolarHBondContact O-NE 2.81Å; L28-R195 PolarHBondContact O-NH2 2.91Å; L29-R195 PolarHBondContact O-NH2 2.69Å; C191-R195 PolarHBondContact O-N 2.82Å; N192-R195 PolarHBondContact O-N 2.52Å; R195-I198 WeakPolarHBondContact O-CG2 3.47Å; R195-I198 PolarHBondContact O-N 3.37Å; R195-L199 HydrophobicContact CG-CD1 3.97Å; R195-L199 HydrophobicContact CG-CG 4.46Å; R195-L199 WeakPolarHBondContact O-CB 3.3Å; R195-L199 WeakPolarHBondContact O-CG 3.32Å; R195-L199 PolarHBondContact O-N 2.94Å
196I91.1Very high82.2Confident54 Ų5467.3 Ų67.328%0.27735%0.346SS..Hα-helixtrans-62.5-48.3177.6-65-54.5000110.2L55 F58 N192 Q194 I198 L199 E200L55-I196 HydrophobicContact CD2-CD1 3.88Å; F58-I196 HydrophobicContact CD2-CD1 4.26Å; F58-I196 HydrophobicContact CE2-CD1 4.06Å; N192-I196 WeakPolarHBondContact O-CB 3.45Å; N192-I196 VanDerWaalsContact O-CG1 3.25Å; N192-I196 WeakPolarHBondContact O-CG1 3.3Å; N192-I196 PolarHBondContact O-N 3.29Å; Q194-I196 VanDerWaalsContact C-N 3.31Å; Q194-I196 PolarHBondContact O-N 3.27Å; I196-I198 VanDerWaalsContact C-N 3.33Å; I196-I198 PolarHBondContact O-N 2.87Å; I196-L199 PolarHBondContact O-N 3Å; I196-L199 VanDerWaalsContact O-N 3.1Å; I196-E200 HydrophobicContact CG2-CG 4.24Å; I196-E200 WeakPolarHBondContact O-CG 3.24Å; I196-E200 PolarHBondContact O-N 3.13Å
197K91.6Very high83Confident149 Ų14967.6 Ų67.665%0.64834%0.341SS*.Hα-helixtrans-55.3-44.3177.9-76.6175.5177.4-169.40113.3G193 Q194 E200 R201G193-K197 WeakPolarHBondContact O-CB 3.28Å; G193-K197 VanDerWaalsContact O-CG 3.26Å; G193-K197 WeakPolarHBondContact O-CG 3.44Å; G193-K197 PolarHBondContact O-N 3.45Å; Q194-K197 PolarHBondContact O-N 3.39Å; K197-E200 PolarHBondContact O-N 3.48Å; K197-R201 PolarHBondContact O-N 3.03Å; K197-R201 VanDerWaalsContact O-N 3.08Å
198I94.1Very high84.4Confident9 Ų967 Ų675%0.04634%0.34CS..Hα-helixtrans-70.5-36.2179.6-167.262.4000111.8L28 L145 A182 L184 Q194 R195 I196 R201 I202L28-I198 HydrophobicContact CD2-CG1 4.34Å; L28-I198 HydrophobicContact CD2-CG2 3.84Å; L145-I198 HydrophobicContact CD1-CD1 3.49Å; L145-I198 VanDerWaalsContact CD1-CD1 3.49Å; L145-I198 HydrophobicContact CD1-CG1 4.22Å; A182-I198 HydrophobicContact CB-CD1 3.39Å; L184-I198 HydrophobicContact CD1-CG1 4.5Å; Q194-I198 PolarHBondContact O-N 3.29Å; R195-I198 WeakPolarHBondContact O-CG2 3.47Å; R195-I198 PolarHBondContact O-N 3.37Å; I196-I198 VanDerWaalsContact C-N 3.33Å; I196-I198 PolarHBondContact O-N 2.87Å; I198-R201 PolarHBondContact O-N 2.88Å; I198-I202 HydrophobicContact CG1-CD1 4.2Å; I198-I202 VanDerWaalsContact O-CG1 3.31Å; I198-I202 WeakPolarHBondContact O-CG1 3.39Å; I198-I202 PolarHBondContact O-N 2.82Å
199L95.6Very high86.2Confident1 Ų165 Ų651%0.00532%0.315CS..Hα-helixtrans-67.1-39175-70176000111.7L28 L55 F58 I70 R195 I196 R201 I202 M203L28-L199 HydrophobicContact CD2-CD2 3.93Å; L55-L199 HydrophobicContact CD1-CD1 4Å; F58-L199 HydrophobicContact CE2-CB 3.83Å; F58-L199 HydrophobicContact CE2-CD1 4.25Å; F58-L199 HydrophobicContact CZ-CB 3.7Å; I70-L199 HydrophobicContact CD1-CD2 3.89Å; I70-L199 HydrophobicContact CG1-CD1 4.44Å; I70-L199 HydrophobicContact CG1-CD2 3.82Å; R195-L199 HydrophobicContact CG-CD1 3.97Å; R195-L199 HydrophobicContact CG-CG 4.46Å; R195-L199 WeakPolarHBondContact O-CB 3.3Å; R195-L199 WeakPolarHBondContact O-CG 3.32Å; R195-L199 PolarHBondContact O-N 2.94Å; I196-L199 PolarHBondContact O-N 3Å; I196-L199 VanDerWaalsContact O-N 3.1Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 2.71Å; L199-I202 PolarHBondContact O-N 3.44Å; L199-M203 WeakPolarHBondContact O-CB 3.43Å; L199-M203 VanDerWaalsContact O-CG 3.26Å; L199-M203 WeakPolarHBondContact O-CG 3.11Å; L199-M203 PolarHBondContact O-N 3.03Å
200E95Very high88.2Confident96 Ų9666 Ų6645%0.44932%0.315SS..Hα-helixtrans-57.8-47.8172.7-73.6171.5156.400110.4F58 I196 K197 I202 M203 E204F58-E200 HydrophobicContact CZ-CG 4.25Å; I196-E200 HydrophobicContact CG2-CG 4.24Å; I196-E200 WeakPolarHBondContact O-CG 3.24Å; I196-E200 PolarHBondContact O-N 3.13Å; K197-E200 PolarHBondContact O-N 3.48Å; E200-I202 PolarHBondContact O-N 3.29Å; E200-M203 WeakPolarHBondContact O-CB 3.04Å; E200-M203 PolarHBondContact O-N 2.82Å; E200-M203 VanDerWaalsContact O-N 3.13Å; E200-E204 WeakPolarHBondContact O-CG 3.28Å; E200-E204 PolarHBondContact O-N 3.26Å
201R96.4Very high90.2Very high94 Ų9460.2 Ų60.236%0.35529%0.293SS..Hα-helixtrans-63.4-41.4178.4-164.854.1169.9171.32.3112.9A182 K197 I198 L199 M203 E204 F205A182-R201 HydrophobicContact CB-CB 4.49Å; A182-R201 HydrophobicContact CB-CG 3.81Å; K197-R201 PolarHBondContact O-N 3.03Å; K197-R201 VanDerWaalsContact O-N 3.08Å; I198-R201 PolarHBondContact O-N 2.88Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 2.71Å; R201-M203 VanDerWaalsContact C-N 3.32Å; R201-M203 PolarHBondContact O-N 3.31Å; R201-E204 WeakPolarHBondContact CD-OE2 3.47Å; R201-E204 IonicContact CZ-OE2 3.57Å; R201-E204 IonicContact NE-OE2 2.82Å; R201-E204 IonicContact NH1-OE2 3.63Å; R201-E204 PolarHBondContact NH1-OE2 2.92Å; R201-E204 WeakPolarHBondContact O-CB 3.41Å; R201-E204 PolarHBondContact O-N 3.39Å; R201-F205 HydrophobicContact CG-CE1 4.13Å; R201-F205 HydrophobicContact CG-CE2 3.99Å; R201-F205 HydrophobicContact CG-CZ 3.56Å; R201-F205 WeakPolarHBondContact O-CD1 3.2Å; R201-F205 WeakPolarHBondContact O-CD2 3.35Å; R201-F205 VanDerWaalsContact O-CG 3.29Å; R201-F205 WeakPolarHBondContact O-CG 3.47Å; R201-F205 PolarHBondContact O-N 3.04Å
202I97.4Very high92.1Very high3 Ų361.9 Ų61.92%0.01529%0.294CS..Hα-helixtrans-62.1-40.9173.1-73.2166.4000111.1L11 L28 L107 L109 I198 L199 E200 E204 F205 I206L11-I202 HydrophobicContact CD1-CD1 4.22Å; L11-I202 HydrophobicContact CD1-CG2 4.33Å; L11-I202 HydrophobicContact CD2-CG2 3.96Å; L28-I202 HydrophobicContact CD1-CD1 4.42Å; L28-I202 HydrophobicContact CD2-CD1 3.5Å; L28-I202 VanDerWaalsContact CD2-CD1 3.5Å; L107-I202 HydrophobicContact CD2-CG1 4.41Å; L107-I202 HydrophobicContact CD2-CG2 3.99Å; L109-I202 HydrophobicContact CD1-CD1 3.93Å; L109-I202 HydrophobicContact CD2-CD1 4.45Å; L109-I202 HydrophobicContact CD2-CG1 4.31Å; I198-I202 HydrophobicContact CG1-CD1 4.2Å; I198-I202 VanDerWaalsContact O-CG1 3.31Å; I198-I202 WeakPolarHBondContact O-CG1 3.39Å; I198-I202 PolarHBondContact O-N 2.82Å; L199-I202 PolarHBondContact O-N 3.44Å; E200-I202 PolarHBondContact O-N 3.29Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 2.73Å; I202-F205 WeakPolarHBondContact O-CB 3.33Å; I202-F205 PolarHBondContact O-N 3.23Å; I202-I206 HydrophobicContact CG2-CD1 3.75Å; I202-I206 HydrophobicContact CG2-CG1 4.48Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.83Å
203M96.3Very high93.6Very high10 Ų1058.1 Ų58.15%0.04928%0.275CS..Hα-helixtrans-67.4-33.6178.3-75.7-50.5-53.200112.7M7 I9 F58 M59 L68 L199 E200 R201 I206 K207 Y211M7-M203 HydrophobicContact CE-CE 3.47Å; M7-M203 VanDerWaalsContact CE-CE 3.47Å; M7-M203 HydrophobicContact SD-CE 4.16Å; I9-M203 HydrophobicContact CD1-CE 4.31Å; I9-M203 HydrophobicContact CD1-SD 4.13Å; I9-M203 HydrophobicContact CG1-CE 4.43Å; I9-M203 HydrophobicContact CG1-SD 3.75Å; F58-M203 HydrophobicContact CE1-CG 3.8Å; F58-M203 HydrophobicContact CZ-CG 4.33Å; M59-M203 HydrophobicContact CE-CB 3.94Å; M59-M203 HydrophobicContact CE-CE 3.56Å; M59-M203 HydrophobicContact CE-CG 3.62Å; M59-M203 HydrophobicContact CE-SD 4.19Å; M59-M203 HydrophobicContact SD-CE 4.4Å; L68-M203 HydrophobicContact CD1-SD 4.49Å; L68-M203 HydrophobicContact CD2-CG 4.49Å; L68-M203 HydrophobicContact CD2-SD 4.47Å; L199-M203 WeakPolarHBondContact O-CB 3.43Å; L199-M203 VanDerWaalsContact O-CG 3.26Å; L199-M203 WeakPolarHBondContact O-CG 3.11Å; L199-M203 PolarHBondContact O-N 3.03Å; E200-M203 WeakPolarHBondContact O-CB 3.04Å; E200-M203 PolarHBondContact O-N 2.82Å; E200-M203 VanDerWaalsContact O-N 3.13Å; R201-M203 VanDerWaalsContact C-N 3.32Å; R201-M203 PolarHBondContact O-N 3.31Å; M203-I206 PolarHBondContact O-N 3.31Å; M203-I206 HydrophobicContact SD-CD1 4.19Å; M203-K207 VanDerWaalsContact O-CB 3.23Å; M203-K207 WeakPolarHBondContact O-CB 3.3Å; M203-K207 PolarHBondContact O-N 2.99Å; M203-Y211 HydrophobicContact CE-CD1 4.41Å; M203-Y211 HydrophobicContact CE-CE1 3.71Å
204E96.6Very high94.4Very high87 Ų8757.3 Ų57.341%0.40726%0.261SS..Hα-helixtrans-59.8-48.8170.8-71170.6174.500110.8E200 R201 I202 I206 K207 E208E200-E204 WeakPolarHBondContact O-CG 3.28Å; E200-E204 PolarHBondContact O-N 3.26Å; R201-E204 WeakPolarHBondContact CD-OE2 3.47Å; R201-E204 IonicContact CZ-OE2 3.57Å; R201-E204 IonicContact NE-OE2 2.82Å; R201-E204 IonicContact NH1-OE2 3.63Å; R201-E204 PolarHBondContact NH1-OE2 2.92Å; R201-E204 WeakPolarHBondContact O-CB 3.41Å; R201-E204 PolarHBondContact O-N 3.39Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 2.73Å; E204-I206 VanDerWaalsContact C-N 3.34Å; E204-I206 PolarHBondContact O-N 3.33Å; E204-K207 WeakPolarHBondContact O-CB 3.27Å; E204-K207 PolarHBondContact O-N 3.08Å; E204-K207 VanDerWaalsContact O-N 3.12Å; E204-E208 WeakPolarHBondContact O-CG 3.18Å; E204-E208 PolarHBondContact O-N 3.31Å
205F97.8Very high95Very high4 Ų460.6 Ų60.62%0.01828%0.28CS..Hα-helixtrans-59-43.8177.4-60.6-19.8000112.9L107 A143 R180 H181 R201 I202 K207 E208 N209L107-F205 HydrophobicContact CD2-CB 4.23Å; L107-F205 HydrophobicContact CD2-CD2 4.08Å; A143-F205 HydrophobicContact CB-CD2 3.6Å; A143-F205 HydrophobicContact CB-CE2 3.74Å; A143-F205 HydrophobicContact CB-CG 4.46Å; R180-F205 HydrophobicContact CB-CD1 3.91Å; R180-F205 HydrophobicContact CB-CD2 4.25Å; R180-F205 HydrophobicContact CB-CE1 3.91Å; R180-F205 HydrophobicContact CB-CE2 4.25Å; R180-F205 HydrophobicContact CB-CG 4.09Å; R180-F205 HydrophobicContact CB-CZ 4.07Å; R180-F205 VanDerWaalsContact CD-CB 3.49Å; R180-F205 HydrophobicContact CG-CB 4.32Å; R180-F205 HydrophobicContact CG-CD1 3.47Å; R180-F205 VanDerWaalsContact CG-CD1 3.47Å; R180-F205 HydrophobicContact CG-CE1 3.85Å; R180-F205 HydrophobicContact CG-CG 3.84Å; R180-F205 HydrophobicContact CG-CZ 4.5Å; H181-F205 WeakPolarHBondContact O-CZ 3.22Å; R201-F205 HydrophobicContact CG-CE1 4.13Å; R201-F205 HydrophobicContact CG-CE2 3.99Å; R201-F205 HydrophobicContact CG-CZ 3.56Å; R201-F205 WeakPolarHBondContact O-CD1 3.2Å; R201-F205 WeakPolarHBondContact O-CD2 3.35Å; R201-F205 VanDerWaalsContact O-CG 3.29Å; R201-F205 WeakPolarHBondContact O-CG 3.47Å; R201-F205 PolarHBondContact O-N 3.04Å; I202-F205 WeakPolarHBondContact O-CB 3.33Å; I202-F205 PolarHBondContact O-N 3.23Å; F205-K207 VanDerWaalsContact C-N 3.31Å; F205-K207 PolarHBondContact O-N 3.04Å; F205-E208 PolarHBondContact O-N 3.11Å; F205-N209 PolarHBondContact O-N 3.37Å
206I96.6Very high94.9Very high2 Ų260.7 Ų60.71%0.0128%0.281CS..Hα-helixtrans-67-37.3178.1-66.5167.4000110.6I9 L11 H106 L107 I202 M203 E204 N209 H210 Y211I9-I206 HydrophobicContact CD1-CD1 3.85Å; I9-I206 HydrophobicContact CD1-CG2 4.25Å; I9-I206 HydrophobicContact CG1-CD1 4.31Å; I9-I206 HydrophobicContact CG2-CD1 3.46Å; I9-I206 VanDerWaalsContact CG2-CD1 3.46Å; L11-I206 HydrophobicContact CD2-CD1 4.44Å; H106-I206 HydrophobicContact CB-CD1 3.95Å; H106-I206 HydrophobicContact CB-CG1 4.23Å; L107-I206 HydrophobicContact CB-CG1 4.26Å; I202-I206 HydrophobicContact CG2-CD1 3.75Å; I202-I206 HydrophobicContact CG2-CG1 4.48Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.83Å; M203-I206 PolarHBondContact O-N 3.31Å; M203-I206 HydrophobicContact SD-CD1 4.19Å; E204-I206 VanDerWaalsContact C-N 3.34Å; E204-I206 PolarHBondContact O-N 3.33Å; I206-N209 CarbonylContact O-C 3.55Å; I206-N209 PolarHBondContact O-N 2.91Å; I206-H210 PolarHBondContact O-N 3.3Å; I206-Y211 HydrophobicContact CG2-CD1 3.66Å; I206-Y211 HydrophobicContact CG2-CE1 4.3Å; I206-Y211 HydrophobicContact CG2-CG 4.38Å; I206-Y211 PolarHBondContact O-N 3.17Å
207K94.9Very high93.9Very high129 Ų12967 Ų6756%0.56132%0.322SS*.Hα-helixtrans-68.1-38.2177.4-178.6-177.5175.4-170.40112.2M203 E204 F205 N209 H210 Y211M203-K207 VanDerWaalsContact O-CB 3.23Å; M203-K207 WeakPolarHBondContact O-CB 3.3Å; M203-K207 PolarHBondContact O-N 2.99Å; E204-K207 WeakPolarHBondContact O-CB 3.27Å; E204-K207 PolarHBondContact O-N 3.08Å; E204-K207 VanDerWaalsContact O-N 3.12Å; F205-K207 VanDerWaalsContact C-N 3.31Å; F205-K207 PolarHBondContact O-N 3.04Å; K207-N209 PolarHBondContact O-N 2.85Å; K207-H210 WeakPolarHBondContact O-CA 3.48Å; K207-H210 PolarHBondContact O-N 2.67Å; K207-Y211 HydrophobicContact CB-CE1 4.32Å; K207-Y211 HydrophobicContact CB-CE2 4.19Å; K207-Y211 HydrophobicContact CG-CE2 3.97Å
208E94.8Very high94Very high104 Ų10462.9 Ų62.949%0.48631%0.306SS..Hα-helixtrans-58.6-38.1172.6-73.5168.8-175.300111.3R180 E204 F205 H210R180-E208 IonicContact NH1-OE2 3.79Å; E204-E208 WeakPolarHBondContact O-CG 3.18Å; E204-E208 PolarHBondContact O-N 3.31Å; F205-E208 PolarHBondContact O-N 3.11Å; E208-H210 PolarHBondContact O-N 3.13Å
209N93.8Very high94Very high20 Ų2065.7 Ų65.711%0.10732%0.32CS..THydrogen-bonded Turntrans-85.222.9172.4-161.145.6000113.3Y141 F205 I206 K207 Y211 Q212Y141-N209 WeakPolarHBondContact CE1-ND2 3.32Å; F205-N209 PolarHBondContact O-N 3.37Å; I206-N209 CarbonylContact O-C 3.55Å; I206-N209 PolarHBondContact O-N 2.91Å; K207-N209 PolarHBondContact O-N 2.85Å; N209-Y211 PolarHBondContact O-N 3.28Å; N209-Q212 WeakPolarHBondContact O-CB 3.46Å; N209-Q212 WeakPolarHBondContact O-CG 3.24Å; N209-Q212 PolarHBondContact O-N 3.42Å
210H93.8Very high93.9Very high148 Ų14869.3 Ų69.369%0.68534%0.337SS*.THydrogen-bonded Turntrans5329.4176.7-55.9-62.7000115.4I206 K207 E208 Q212I206-H210 PolarHBondContact O-N 3.3Å; K207-H210 WeakPolarHBondContact O-CA 3.48Å; K207-H210 PolarHBondContact O-N 2.67Å; E208-H210 PolarHBondContact O-N 3.13Å; H210-Q212 HydrophobicContact CB-CG 4.44Å; H210-Q212 PolarHBondContact O-N 3.08Å; H210-Q212 VanDerWaalsContact O-N 3.17Å
211Y93.4Very high93.8Very high62 Ų6267.7 Ų67.724%0.24333%0.33CS..THydrogen-bonded Turntrans58.620.1-174.9-51.7-85.6000113.9M7 M203 I206 K207 N209M7-Y211 HydrophobicContact CE-CD1 3.45Å; M7-Y211 VanDerWaalsContact CE-CD1 3.45Å; M7-Y211 HydrophobicContact CE-CE1 3.62Å; M203-Y211 HydrophobicContact CE-CD1 4.41Å; M203-Y211 HydrophobicContact CE-CE1 3.71Å; I206-Y211 HydrophobicContact CG2-CD1 3.66Å; I206-Y211 HydrophobicContact CG2-CE1 4.3Å; I206-Y211 HydrophobicContact CG2-CG 4.38Å; I206-Y211 PolarHBondContact O-N 3.17Å; K207-Y211 HydrophobicContact CB-CE1 4.32Å; K207-Y211 HydrophobicContact CB-CE2 4.19Å; K207-Y211 HydrophobicContact CG-CE2 3.97Å; N209-Y211 PolarHBondContact O-N 3.28Å
212Q96.2Very high93.7Very high112 Ų11266.1 Ų66.152%0.52333%0.329SS..  trans-68.1150.9172.4-66.2-174.7-21.700109.9Y141 N209 H210Y141-Q212 WeakPolarHBondContact CE1-O 2.96Å; N209-Q212 WeakPolarHBondContact O-CB 3.46Å; N209-Q212 WeakPolarHBondContact O-CG 3.24Å; N209-Q212 PolarHBondContact O-N 3.42Å; H210-Q212 HydrophobicContact CB-CG 4.44Å; H210-Q212 PolarHBondContact O-N 3.08Å; H210-Q212 VanDerWaalsContact O-N 3.17Å
213V97.3Very high93.4Very high39 Ų3970.3 Ų70.324%0.23635%0.35CS..  trans-117.5149.9176.8-630000110.2L105 H106 Y141L105-V213 CarbonylContact O-C 3.54Å; L105-V213 WeakPolarHBondContact O-CA 3.41Å; H106-V213 WeakPolarHBondContact NE2-CG1 3.16Å; Y141-V213 PolarHBondContact OH-O 3.22Å
214L97Very high93.2Very high22 Ų2274.6 Ų74.612%0.11537%0.371CS..BIsolated β-bridgetrans-88.5120.4170.7-175.867.5000108.7G104 L105 L134 Y141 F216G104-L214 CarbonylContact C-O 3.4Å; G104-L214 VanDerWaalsContact CA-O 3.29Å; G104-L214 WeakPolarHBondContact CA-O 3.48Å; L105-L214 HydrophobicContact CB-CB 4.45Å; L105-L214 PolarHBondContact N-O 2.99Å; L105-L214 PolarHBondContact O-N 3.4Å; L134-L214 HydrophobicContact CB-CD2 3.71Å; L134-L214 HydrophobicContact CD2-CD2 3.96Å; L134-L214 HydrophobicContact CG-CD2 3.52Å; Y141-L214 HydrophobicContact CD1-CB 3.85Å; Y141-L214 HydrophobicContact CD2-CB 4.02Å; Y141-L214 HydrophobicContact CD2-CD1 4.25Å; Y141-L214 HydrophobicContact CD2-CD2 4.47Å; Y141-L214 HydrophobicContact CD2-CG 4.49Å; Y141-L214 HydrophobicContact CE1-CB 3.88Å; Y141-L214 HydrophobicContact CE2-CB 4.07Å; Y141-L214 HydrophobicContact CE2-CD1 4.08Å; Y141-L214 HydrophobicContact CG-CB 3.91Å; L214-F216 HydrophobicContact CD2-CE1 4.19Å; L214-F216 HydrophobicContact CD2-CZ 4.17Å; L214-F216 HydrophobicContact CG-CZ 4.45Å
215N94.6Very high93Very high104 Ų10473.6 Ų73.656%0.55637%0.369SS*.  trans-89.7145.3179.7-62.7-40.7000110.9
216F89.1Confident92.6Very high25 Ų2579.4 Ų79.411%0.1140%0.398CS..  trans-112.7119.6173.8-54.1-82000108.8L96 V97 F100 L105 L214L96-F216 HydrophobicContact CB-CD1 4.14Å; L96-F216 HydrophobicContact CB-CD2 4.07Å; L96-F216 HydrophobicContact CB-CE1 4.08Å; L96-F216 HydrophobicContact CB-CE2 4.01Å; L96-F216 HydrophobicContact CB-CG 4.14Å; L96-F216 HydrophobicContact CB-CZ 4.02Å; L96-F216 HydrophobicContact CD1-CD1 4.46Å; L96-F216 HydrophobicContact CD1-CE1 3.77Å; L96-F216 HydrophobicContact CD1-CZ 3.91Å; L96-F216 HydrophobicContact CD2-CE2 4.05Å; L96-F216 HydrophobicContact CD2-CZ 3.85Å; L96-F216 HydrophobicContact CG-CE1 4.35Å; L96-F216 HydrophobicContact CG-CE2 4.47Å; L96-F216 HydrophobicContact CG-CZ 4.14Å; V97-F216 HydrophobicContact CG2-CB 3.8Å; F100-F216 HydrophobicContact CB-CD2 4.25Å; F100-F216 HydrophobicContact CB-CE2 4.17Å; L105-F216 HydrophobicContact CB-CE2 3.6Å; L105-F216 HydrophobicContact CB-CZ 3.82Å; L105-F216 HydrophobicContact CD2-CZ 4.02Å; L214-F216 HydrophobicContact CD2-CE1 4.19Å; L214-F216 HydrophobicContact CD2-CZ 4.17Å; L214-F216 HydrophobicContact CG-CZ 4.45Å
217T69.3Low92.2Very high186 Ų18686.5 Ų86.5100%1.14143%0.433SS*.  trans-92.20174.856.70000111.7

Retrieved 217 of 217 residues in 66.1 ms (Link to these results)

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