A0A077Z1S9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z1S9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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
1M56.9Low73Confident201 Ų20144.2 Ų44.299%0.9925%0.252SS*.  0136.80-79.2-179.2-158.900107.6K127M1-K127 PolarHBondContact SD-NZ 2.87Å
2A73.8Confident72Confident64 Ų6444.3 Ų44.353%0.52925%0.254SS..  trans-58.5137166.400000110G31A2-G31 WeakPolarHBondContact CB-O 3.45Å
3G78.2Confident71.6Confident9 Ų945.7 Ų45.79%0.09325%0.253CS..  trans-132.6167179.100000111H32 H33G3-H32 PolarHBondContact N-ND1 3.31Å; G3-H32 VanDerWaalsContact N-ND1 3.18Å; G3-H32 CarbonylContact O-C 3.52Å; G3-H32 VanDerWaalsContact O-CA 3.25Å; G3-H32 WeakPolarHBondContact O-CA 3.3Å; G3-H32 VanDerWaalsContact O-CB 3.32Å; G3-H32 WeakPolarHBondContact O-CB 3.35Å; G3-H33 PolarHBondContact O-N 3.23Å
4R79.3Confident71.4Confident83 Ų8349.2 Ų49.231%0.31327%0.267SS..EExtended strand (participates in β ladder)trans-89.6133.1168-58.117771123.73.2108.1H33 Y126R4-H33 CarbonylContact C-O 3.56Å; R4-H33 VanDerWaalsContact CA-O 3.3Å; R4-H33 WeakPolarHBondContact CA-O 3.38Å; R4-H33 HydrophobicContact CG-CB 4.21Å; R4-Y126 VanDerWaalsContact C-CD1 3.44Å; R4-Y126 HydrophobicContact CB-CD1 3.54Å; R4-Y126 HydrophobicContact CB-CE1 3.7Å; R4-Y126 HydrophobicContact CB-CG 4.23Å; R4-Y126 WeakPolarHBondContact O-CD1 3.11Å
5V81.3Confident71.3Confident3 Ų350.5 Ų50.52%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-120.7126.4177.9176.90000109.1F7 L27 H32 H33 V34 S35 Y126 D128 V130V5-F7 HydrophobicContact CG1-CD2 4.48Å; V5-F7 HydrophobicContact CG1-CE2 4.19Å; V5-F7 HydrophobicContact CG1-CZ 4.32Å; V5-L27 HydrophobicContact CB-CD1 4.39Å; V5-L27 HydrophobicContact CG1-CD1 3.96Å; V5-L27 HydrophobicContact CG2-CD1 4.24Å; V5-H32 HydrophobicContact CG2-CB 4.35Å; V5-H33 PolarHBondContact N-O 3.45Å; V5-V34 HydrophobicContact CB-CG2 4.38Å; V5-V34 WeakPolarHBondContact O-CA 3.19Å; V5-S35 PolarHBondContact O-N 3.24Å; V5-Y126 VanDerWaalsContact C-CE1 3.49Å; V5-D128 WeakPolarHBondContact CA-O 3.25Å; V5-D128 HydrophobicContact CG2-CB 4.45Å; V5-V130 HydrophobicContact CG1-CB 3.95Å; V5-V130 HydrophobicContact CG1-CG2 3.53Å
6L80.2Confident71.3Confident9 Ų948.9 Ų48.95%0.04727%0.271CS..EExtended strand (participates in β ladder)trans-106.5118.5172.6-17762.9000109.6V8 S35 W37 I55 L123 Y126 I129 V130L6-V8 HydrophobicContact CD2-CG2 4.22Å; L6-V8 HydrophobicContact CG-CG2 4.11Å; L6-S35 WeakPolarHBondContact CA-O 3.3Å; L6-W37 HydrophobicContact CD1-CB 3.82Å; L6-I55 HydrophobicContact CD1-CD1 4.21Å; L6-L123 HydrophobicContact CD2-CD2 4.19Å; L6-Y126 HydrophobicContact CB-CD1 3.75Å; L6-Y126 HydrophobicContact CB-CE1 3.54Å; L6-Y126 HydrophobicContact CB-CE2 4.35Å; L6-Y126 HydrophobicContact CB-CG 4.29Å; L6-I129 HydrophobicContact CB-CG2 4.48Å; L6-V130 CarbonylContact O-C 3.51Å; L6-V130 PolarHBondContact O-N 2.64Å; L6-V130 VanDerWaalsContact O-O 3.09Å
7F82.6Confident71.5Confident0 Ų046.2 Ų46.20%026%0.256CS..EExtended strand (participates in β ladder)trans-89.1131.2168.3-81.3-59.8000110.9V5 M20 L23 A24 L27 V34 S35 I36 W37 V130 I132V5-F7 HydrophobicContact CG1-CD2 4.48Å; V5-F7 HydrophobicContact CG1-CE2 4.19Å; V5-F7 HydrophobicContact CG1-CZ 4.32Å; F7-M20 HydrophobicContact CB-CE 3.57Å; F7-M20 HydrophobicContact CD1-CE 3.73Å; F7-M20 HydrophobicContact CG-CE 3.88Å; F7-L23 HydrophobicContact CE1-CD2 3.81Å; F7-L23 HydrophobicContact CE1-CG 4.43Å; F7-L23 HydrophobicContact CZ-CB 4.23Å; F7-L23 HydrophobicContact CZ-CD2 3.68Å; F7-L23 HydrophobicContact CZ-CG 3.82Å; F7-A24 HydrophobicContact CD2-CB 4.09Å; F7-A24 HydrophobicContact CE2-CB 3.65Å; F7-L27 HydrophobicContact CE2-CD1 3.89Å; F7-L27 HydrophobicContact CZ-CD1 3.68Å; F7-V34 HydrophobicContact CD2-CG1 3.47Å; F7-V34 VanDerWaalsContact CD2-CG1 3.47Å; F7-V34 HydrophobicContact CE2-CG1 3.55Å; F7-S35 PolarHBondContact N-O 3.06Å; F7-I36 HydrophobicContact CB-CB 4.47Å; F7-I36 HydrophobicContact CB-CG1 4.01Å; F7-I36 HydrophobicContact CB-CG2 4.43Å; F7-I36 HydrophobicContact CD2-CG1 4.37Å; F7-I36 WeakPolarHBondContact O-CA 3.32Å; F7-W37 PolarHBondContact O-N 3.44Å; F7-V130 WeakPolarHBondContact CA-O 3.5Å; F7-V130 HydrophobicContact CD1-CB 4.11Å; F7-V130 HydrophobicContact CD1-CG1 4.04Å; F7-V130 HydrophobicContact CE1-CB 3.9Å; F7-V130 HydrophobicContact CE1-CG1 3.55Å; F7-V130 HydrophobicContact CZ-CG1 4.44Å; F7-I132 HydrophobicContact CD1-CD1 3.77Å; F7-I132 HydrophobicContact CD1-CG1 3.94Å; F7-I132 HydrophobicContact CE1-CD1 3.36Å; F7-I132 HydrophobicContact CE1-CG1 3.95Å; F7-I132 HydrophobicContact CZ-CD1 4.45Å
8V76.7Confident72Confident29 Ų2948.2 Ų48.218%0.17627%0.27CS..EExtended strand (participates in β ladder)trans-125.6109170.4-176.60000107.8L6 W37 H131 I132L6-V8 HydrophobicContact CD2-CG2 4.22Å; L6-V8 HydrophobicContact CG-CG2 4.11Å; V8-W37 WeakPolarHBondContact CA-O 3.25Å; V8-W37 HydrophobicContact CG1-CE3 4.13Å; V8-W37 HydrophobicContact CG1-CZ3 4.3Å; V8-W37 HydrophobicContact CG2-CE3 4.05Å; V8-H131 PolarHBondContact O-CD2 3.14Å; V8-H131 VanDerWaalsContact O-CD2 3.26Å; V8-I132 PolarHBondContact O-N 3.34Å; V8-I132 VanDerWaalsContact O-N 3.14Å
9P71.4Confident72.3Confident15 Ų1549.7 Ų49.710%0.09728%0.276CS..EExtended strand (participates in β ladder)trans-73.4135.4176.928.6-30.9000109.9S11 M20 W37 F40P9-S11 PolarHBondContact O-N 2.85Å; P9-M20 HydrophobicContact CB-CE 3.94Å; P9-M20 HydrophobicContact CB-SD 3.63Å; P9-W37 WeakPolarHBondContact CD-O 3.35Å; P9-F40 HydrophobicContact CG-CZ 4.06Å
10S62.9Low72.8Confident47 Ų4747.3 Ų47.333%0.32926%0.263SS..SBendtrans-70.3-21.4174.464.10000113.9I132 S133 F134S10-I132 PolarHBondContact N-O 2.64Å; S10-I132 VanDerWaalsContact N-O 3.1Å; S10-S133 VanDerWaalsContact CB-OG 3.28Å; S10-S133 WeakPolarHBondContact CB-OG 3.34Å; S10-S133 WeakPolarHBondContact OG-CA 3.14Å; S10-S133 PolarHBondContact OG-OG 3.14Å; S10-F134 PolarHBondContact OG-N 2.71Å; S10-F134 PolarHBondContact OG-O 2.7Å
11S60.1Low73.5Confident26 Ų2645.5 Ų45.518%0.18225%0.252CS..SBendtrans-138.4163.4-179.694.40000112.1P9 Y13 H16P9-S11 PolarHBondContact O-N 2.85Å; S11-Y13 VanDerWaalsContact C-N 3.26Å; S11-Y13 PolarHBondContact O-N 3.1Å; S11-Y13 WeakPolarHBondContact OG-CD2 3.28Å; S11-Y13 PolarHBondContact OG-N 3.15Å; S11-H16 PolarHBondContact OG-CE1 2.87Å; S11-H16 VanDerWaalsContact OG-CE1 3.24Å; S11-H16 PolarHBondContact OG-ND1 3.18Å
12V60.4Low75Confident45 Ų4541.5 Ų41.527%0.27323%0.231SC..  trans-86.57.5-179.7-54.80000113.3F40 F70 M102V12-F40 HydrophobicContact CB-CD1 4.03Å; V12-F40 HydrophobicContact CB-CE1 4.2Å; V12-F40 HydrophobicContact CG1-CD1 3.67Å; V12-F40 HydrophobicContact CG1-CE1 3.95Å; V12-F70 HydrophobicContact CG2-CD1 3.58Å; V12-F70 HydrophobicContact CG2-CE1 3.4Å; V12-F70 VanDerWaalsContact CG2-CE1 3.4Å; V12-M102 HydrophobicContact CG1-CE 4.44Å
13Y67.3Low75.6Confident63 Ų6341.9 Ų41.925%0.24722%0.223CC..  trans-72.1134.5-177-66.6-56.5000111.8S11 S15 H16 K17 W82S11-Y13 VanDerWaalsContact C-N 3.26Å; S11-Y13 PolarHBondContact O-N 3.1Å; S11-Y13 WeakPolarHBondContact OG-CD2 3.28Å; S11-Y13 PolarHBondContact OG-N 3.15Å; Y13-S15 PolarHBondContact O-N 3.18Å; Y13-H16 AromaticContact CD2-CE1 3.98Å; Y13-H16 PolarHBondContact O-N 3.3Å; Y13-K17 PolarHBondContact O-N 2.88Å; Y13-W82 WeakPolarHBondContact OH-CH2 3.35Å
14E68.9Low76.1Confident95 Ų9541.5 Ų41.544%0.44422%0.219SC..Hα-helixtrans-61.2-31.6-178.8-64.1-178.6176.200112.1K17 T18 V46E14-K17 PolarHBondContact O-N 2.79Å; E14-T18 PolarHBondContact O-N 3.35Å; E14-T18 PolarHBondContact O-OG1 3Å; E14-V46 HydrophobicContact CB-CG2 3.88Å; E14-V46 HydrophobicContact CG-CG2 4.01Å
15S69.7Low76.7Confident69 Ų6941.2 Ų41.248%0.48322%0.221SC..Hα-helixtrans-61.5-44.1176.653.90000112.3Y13 K17 T18 I19Y13-S15 PolarHBondContact O-N 3.18Å; S15-K17 PolarHBondContact O-N 2.64Å; S15-T18 WeakPolarHBondContact O-CB 3.2Å; S15-T18 PolarHBondContact O-N 3.42Å; S15-I19 PolarHBondContact O-N 3.29Å
16H70.5Confident77.2Confident25 Ų2544 Ų4412%0.11623%0.234CC..Hα-helixtrans-64.2-44.2-179.6-67.2177.4000111S11 Y13 T18 I19 M20 F134S11-H16 PolarHBondContact OG-CE1 2.87Å; S11-H16 VanDerWaalsContact OG-CE1 3.24Å; S11-H16 PolarHBondContact OG-ND1 3.18Å; Y13-H16 AromaticContact CD2-CE1 3.98Å; Y13-H16 PolarHBondContact O-N 3.3Å; H16-T18 PolarHBondContact O-N 2.88Å; H16-I19 PolarHBondContact O-N 3.24Å; H16-M20 VanDerWaalsContact O-CG 3.25Å; H16-M20 WeakPolarHBondContact O-CG 3.44Å; H16-M20 PolarHBondContact O-N 2.51Å; H16-F134 HydrophobicContact CB-CD2 3.5Å; H16-F134 VanDerWaalsContact CB-CD2 3.5Å; H16-F134 HydrophobicContact CB-CE1 4.49Å; H16-F134 HydrophobicContact CB-CE2 3.36Å; H16-F134 HydrophobicContact CB-CG 4.16Å; H16-F134 HydrophobicContact CB-CZ 3.91Å; H16-F134 AromaticContact CD2-CD1 3.39Å; H16-F134 WeakPolarHBondContact CD2-CD1 3.29Å; H16-F134 AromaticContact CD2-CD2 3.65Å; H16-F134 AromaticContact CD2-CE1 3.73Å; H16-F134 AromaticContact CD2-CG 3.34Å; H16-F134 WeakPolarHBondContact CD2-CG 3.1Å; H16-F134 WeakPolarHBondContact CE1-CB 3.35Å; H16-F134 AromaticContact CE1-CD2 3.98Å; H16-F134 AromaticContact CE1-CG 3.54Å; H16-F134 AromaticContact CG-CD1 3.9Å; H16-F134 AromaticContact CG-CD2 3.22Å; H16-F134 AromaticContact CG-CE2 3.59Å; H16-F134 AromaticContact CG-CG 3.4Å; H16-F134 VanDerWaalsContact CG-CG 3.4Å; H16-F134 WeakPolarHBondContact ND1-CB 3.46Å; H16-F134 AromaticContact ND1-CD2 3.42Å; H16-F134 WeakPolarHBondContact ND1-CD2 3.44Å; H16-F134 AromaticContact ND1-CG 3.49Å; H16-F134 WeakPolarHBondContact ND1-CG 3.29Å; H16-F134 VanDerWaalsContact NE2-CB 3.35Å; H16-F134 WeakPolarHBondContact NE2-CB 3.39Å; H16-F134 AromaticContact NE2-CD1 3.64Å; H16-F134 AromaticContact NE2-CG 3.45Å; H16-F134 WeakPolarHBondContact NE2-CG 3.22Å
17K75.5Confident77.6Confident2 Ų245 Ų451%0.00924%0.24CC..Hα-helixtrans-62.9-40.8175.4-74-177174.3-165.50112.8Y13 E14 S15 I19 M20 Y21 D44Y13-K17 PolarHBondContact O-N 2.88Å; E14-K17 PolarHBondContact O-N 2.79Å; S15-K17 PolarHBondContact O-N 2.64Å; K17-I19 VanDerWaalsContact C-N 3.28Å; K17-I19 PolarHBondContact O-N 2.67Å; K17-M20 CarbonylContact O-C 3.59Å; K17-M20 PolarHBondContact O-N 2.83Å; K17-M20 VanDerWaalsContact O-N 3.15Å; K17-Y21 HydrophobicContact CB-CD1 4.37Å; K17-Y21 HydrophobicContact CB-CE1 3.97Å; K17-Y21 HydrophobicContact CG-CE1 4.29Å; K17-Y21 VanDerWaalsContact O-CB 3.26Å; K17-Y21 WeakPolarHBondContact O-CB 3.38Å; K17-Y21 WeakPolarHBondContact O-CD1 3.38Å; K17-Y21 PolarHBondContact O-N 3.35Å; K17-D44 WeakPolarHBondContact CD-OD2 3.47Å; K17-D44 VanDerWaalsContact CE-OD2 3.28Å; K17-D44 WeakPolarHBondContact CE-OD2 3.41Å; K17-D44 IonicContact NZ-OD2 2.82Å; K17-D44 PolarHBondContact NZ-OD2 3.05Å
18T79.8Confident78Confident83 Ų8346.9 Ų46.951%0.50925%0.251SS..Hα-helixtrans-56.4-44.4177.7-57.60000111.5E14 S15 H16 Y21 H22E14-T18 PolarHBondContact O-N 3.35Å; E14-T18 PolarHBondContact O-OG1 3Å; S15-T18 WeakPolarHBondContact O-CB 3.2Å; S15-T18 PolarHBondContact O-N 3.42Å; H16-T18 PolarHBondContact O-N 2.88Å; T18-Y21 PolarHBondContact O-N 2.8Å; T18-H22 PolarHBondContact O-N 3.03Å
19I78.7Confident78.8Confident76 Ų7652.5 Ų52.539%0.3927%0.273SS..Hα-helixtrans-66.2-45.8176.6-66.6166.6000110.9S15 H16 K17 Y21 H22 L23 F134S15-I19 PolarHBondContact O-N 3.29Å; H16-I19 PolarHBondContact O-N 3.24Å; K17-I19 VanDerWaalsContact C-N 3.28Å; K17-I19 PolarHBondContact O-N 2.67Å; I19-Y21 VanDerWaalsContact C-N 3.3Å; I19-Y21 PolarHBondContact O-N 2.96Å; I19-H22 PolarHBondContact O-N 3Å; I19-L23 PolarHBondContact O-N 3.42Å; I19-F134 HydrophobicContact CB-CZ 3.98Å; I19-F134 HydrophobicContact CD1-CE1 3.66Å; I19-F134 HydrophobicContact CD1-CZ 4Å; I19-F134 HydrophobicContact CG2-CE1 4.48Å; I19-F134 HydrophobicContact CG2-CZ 4.03Å
20M81.5Confident79.7Confident2 Ų260.4 Ų60.41%0.0130%0.301CS..Hα-helixtrans-62.8-36.8178.9-68.2173.963.200112.5F7 P9 H16 K17 L23 A24 I132 F134F7-M20 HydrophobicContact CB-CE 3.57Å; F7-M20 HydrophobicContact CD1-CE 3.73Å; F7-M20 HydrophobicContact CG-CE 3.88Å; P9-M20 HydrophobicContact CB-CE 3.94Å; P9-M20 HydrophobicContact CB-SD 3.63Å; H16-M20 VanDerWaalsContact O-CG 3.25Å; H16-M20 WeakPolarHBondContact O-CG 3.44Å; H16-M20 PolarHBondContact O-N 2.51Å; K17-M20 CarbonylContact O-C 3.59Å; K17-M20 PolarHBondContact O-N 2.83Å; K17-M20 VanDerWaalsContact O-N 3.15Å; M20-L23 PolarHBondContact O-N 3.46Å; M20-A24 WeakPolarHBondContact O-CB 3.39Å; M20-A24 PolarHBondContact O-N 3.02Å; M20-I132 HydrophobicContact CE-CB 4.05Å; M20-I132 HydrophobicContact CE-CG1 4.48Å; M20-I132 HydrophobicContact CG-CB 4.03Å; M20-I132 HydrophobicContact CG-CD1 3.92Å; M20-I132 HydrophobicContact CG-CG1 4.43Å; M20-I132 HydrophobicContact CG-CG2 3.93Å; M20-I132 HydrophobicContact SD-CB 3.94Å; M20-I132 HydrophobicContact SD-CG2 4.14Å; M20-F134 HydrophobicContact CG-CE2 4.22Å; M20-F134 HydrophobicContact SD-CE2 4.27Å
21Y87.9Confident81Confident10 Ų1060.4 Ų60.44%0.03931%0.308CS..Hα-helixtrans-68.4-38.3-178.5-76.716.9000110.8K17 T18 I19 L23 A24 E25 I36 V46 P47 P49K17-Y21 HydrophobicContact CB-CD1 4.37Å; K17-Y21 HydrophobicContact CB-CE1 3.97Å; K17-Y21 HydrophobicContact CG-CE1 4.29Å; K17-Y21 VanDerWaalsContact O-CB 3.26Å; K17-Y21 WeakPolarHBondContact O-CB 3.38Å; K17-Y21 WeakPolarHBondContact O-CD1 3.38Å; K17-Y21 PolarHBondContact O-N 3.35Å; T18-Y21 PolarHBondContact O-N 2.8Å; I19-Y21 VanDerWaalsContact C-N 3.3Å; I19-Y21 PolarHBondContact O-N 2.96Å; Y21-L23 VanDerWaalsContact C-N 3.31Å; Y21-L23 PolarHBondContact O-N 2.89Å; Y21-A24 WeakPolarHBondContact O-CB 3.43Å; Y21-A24 PolarHBondContact O-N 3.2Å; Y21-E25 WeakPolarHBondContact O-CG 3.25Å; Y21-E25 PolarHBondContact O-N 3.3Å; Y21-I36 HydrophobicContact CD1-CD1 3.51Å; Y21-I36 HydrophobicContact CE1-CD1 3.17Å; Y21-V46 HydrophobicContact CD2-CG1 3.66Å; Y21-V46 HydrophobicContact CE2-CB 4.08Å; Y21-V46 HydrophobicContact CE2-CG1 3.45Å; Y21-V46 VanDerWaalsContact CE2-CG1 3.45Å; Y21-P47 WeakPolarHBondContact CD2-O 3.25Å; Y21-P47 VanDerWaalsContact CE2-O 3.26Å; Y21-P47 WeakPolarHBondContact CE2-O 3.19Å; Y21-P49 HydrophobicContact CD2-CG 3.91Å; Y21-P49 HydrophobicContact CG-CG 3.86Å
22H87.5Confident82.2Confident117 Ų11761 Ų6154%0.54231%0.308SS..Hα-helixtrans-61.5-41.3173.1-170.355.2000112T18 I19 E25 E26T18-H22 PolarHBondContact O-N 3.03Å; I19-H22 PolarHBondContact O-N 3Å; H22-E25 IonicContact ND1-OE2 3.64Å; H22-E25 PolarHBondContact O-N 3.11Å; H22-E26 PolarHBondContact O-N 3.19Å
23L86.5Confident83.5Confident72 Ų7262.5 Ų62.538%0.37731%0.312SS..Hα-helixtrans-66.2-39.6174.4-177.562.1000111.9F7 I19 M20 Y21 E25 E26 L27 I132F7-L23 HydrophobicContact CE1-CD2 3.81Å; F7-L23 HydrophobicContact CE1-CG 4.43Å; F7-L23 HydrophobicContact CZ-CB 4.23Å; F7-L23 HydrophobicContact CZ-CD2 3.68Å; F7-L23 HydrophobicContact CZ-CG 3.82Å; I19-L23 PolarHBondContact O-N 3.42Å; M20-L23 PolarHBondContact O-N 3.46Å; Y21-L23 VanDerWaalsContact C-N 3.31Å; Y21-L23 PolarHBondContact O-N 2.89Å; L23-E25 PolarHBondContact O-N 3.31Å; L23-E26 PolarHBondContact O-N 2.81Å; L23-L27 HydrophobicContact CG-CD1 4.24Å; L23-L27 WeakPolarHBondContact O-CG 3.42Å; L23-L27 PolarHBondContact O-N 2.82Å; L23-I132 HydrophobicContact CD2-CD1 3.8Å
24A89.6Confident84.4Confident0 Ų059.5 Ų59.50%030%0.3CS..Hα-helixtrans-60.4-43176.600000112F7 M20 Y21 E26 L27 V28 V34 V52F7-A24 HydrophobicContact CD2-CB 4.09Å; F7-A24 HydrophobicContact CE2-CB 3.65Å; M20-A24 WeakPolarHBondContact O-CB 3.39Å; M20-A24 PolarHBondContact O-N 3.02Å; Y21-A24 WeakPolarHBondContact O-CB 3.43Å; Y21-A24 PolarHBondContact O-N 3.2Å; A24-E26 VanDerWaalsContact C-N 3.34Å; A24-E26 PolarHBondContact O-N 2.86Å; A24-L27 PolarHBondContact O-N 3.38Å; A24-V28 WeakPolarHBondContact O-CG2 3.46Å; A24-V28 PolarHBondContact O-N 3.17Å; A24-V34 HydrophobicContact CB-CG1 3.84Å; A24-V52 HydrophobicContact CB-CG1 4.48Å; A24-V52 HydrophobicContact CB-CG2 3.73Å
25E92.2Very high85.3Confident78 Ų7855 Ų5536%0.36428%0.279SS..Hα-helixtrans-58.9-44.4175.5-72.9-179.3136.300112.2Y21 H22 L23 L27 V28 K29 P49Y21-E25 WeakPolarHBondContact O-CG 3.25Å; Y21-E25 PolarHBondContact O-N 3.3Å; H22-E25 IonicContact ND1-OE2 3.64Å; H22-E25 PolarHBondContact O-N 3.11Å; L23-E25 PolarHBondContact O-N 3.31Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 2.95Å; E25-V28 PolarHBondContact O-N 3.14Å; E25-K29 VanDerWaalsContact O-CG 3.29Å; E25-K29 WeakPolarHBondContact O-CG 3.25Å; E25-K29 PolarHBondContact O-N 2.88Å; E25-P49 HydrophobicContact CG-CB 3.49Å; E25-P49 VanDerWaalsContact CG-CB 3.49Å; E25-P49 HydrophobicContact CG-CG 3.96Å
26E90.9Very high86.1Confident62 Ų6251.8 Ų51.829%0.2926%0.256SS..Hα-helixtrans-65.9-35.7178.4-71-56.6127.400112.5H22 L23 A24 K29 R30H22-E26 PolarHBondContact O-N 3.19Å; L23-E26 PolarHBondContact O-N 2.81Å; A24-E26 VanDerWaalsContact C-N 3.34Å; A24-E26 PolarHBondContact O-N 2.86Å; E26-K29 IonicContact OE1-NZ 3.58Å; E26-K29 PolarHBondContact OE1-NZ 3.39Å; E26-R30 WeakPolarHBondContact O-CD 3.49Å; E26-R30 VanDerWaalsContact O-CG 3.25Å; E26-R30 WeakPolarHBondContact O-CG 3.29Å; E26-R30 PolarHBondContact O-N 2.85Å
27L89Confident86.7Confident30 Ų3052.4 Ų52.416%0.15726%0.258CS..Hα-helixtrans-68.8-43.1174.4-71.5168.7000111.7V5 F7 L23 A24 E25 K29 R30 G31 H32 V34V5-L27 HydrophobicContact CB-CD1 4.39Å; V5-L27 HydrophobicContact CG1-CD1 3.96Å; V5-L27 HydrophobicContact CG2-CD1 4.24Å; F7-L27 HydrophobicContact CE2-CD1 3.89Å; F7-L27 HydrophobicContact CZ-CD1 3.68Å; L23-L27 HydrophobicContact CG-CD1 4.24Å; L23-L27 WeakPolarHBondContact O-CG 3.42Å; L23-L27 PolarHBondContact O-N 2.82Å; A24-L27 PolarHBondContact O-N 3.38Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 2.95Å; L27-K29 PolarHBondContact O-N 3.03Å; L27-R30 CarbonylContact O-C 3.5Å; L27-R30 PolarHBondContact O-N 3.03Å; L27-R30 VanDerWaalsContact O-N 3.11Å; L27-G31 PolarHBondContact O-N 2.89Å; L27-H32 HydrophobicContact CB-CB 4.19Å; L27-H32 WeakPolarHBondContact O-CB 3.36Å; L27-H32 PolarHBondContact O-CD2 3.47Å; L27-H32 VanDerWaalsContact O-CD2 3.3Å; L27-H32 PolarHBondContact O-N 2.92Å; L27-V34 HydrophobicContact CB-CG2 3.65Å; L27-V34 HydrophobicContact CD1-CG2 4.48Å
28V92Very high86.9Confident39 Ų3952.5 Ų52.524%0.23626%0.259CS..Hα-helixtrans-60.5-44.3174.5170.20000110.9A24 E25 R30 G31 V34 V52A24-V28 WeakPolarHBondContact O-CG2 3.46Å; A24-V28 PolarHBondContact O-N 3.17Å; E25-V28 PolarHBondContact O-N 3.14Å; V28-R30 PolarHBondContact O-N 3.17Å; V28-G31 WeakPolarHBondContact O-CA 3.26Å; V28-G31 PolarHBondContact O-N 2.89Å; V28-V34 HydrophobicContact CG2-CB 3.99Å; V28-V34 HydrophobicContact CG2-CG2 3.68Å; V28-V52 HydrophobicContact CG2-CG2 3.87Å
29K93.2Very high86.9Confident147 Ų14749.4 Ų49.464%0.63924%0.24SC*.Hα-helixtrans-58.6-32.2175.3-74172.8-167.6169.40112.7E25 E26 L27 G31E25-K29 VanDerWaalsContact O-CG 3.29Å; E25-K29 WeakPolarHBondContact O-CG 3.25Å; E25-K29 PolarHBondContact O-N 2.88Å; E26-K29 IonicContact OE1-NZ 3.58Å; E26-K29 PolarHBondContact OE1-NZ 3.39Å; L27-K29 PolarHBondContact O-N 3.03Å; K29-G31 PolarHBondContact O-N 3.36Å
30R90Very high87Confident181 Ų18146.6 Ų46.668%0.68323%0.225SC*.THydrogen-bonded Turntrans-82.45.1175.8-67.7170.4-171-146.22.2113.3E26 L27 V28E26-R30 WeakPolarHBondContact O-CD 3.49Å; E26-R30 VanDerWaalsContact O-CG 3.25Å; E26-R30 WeakPolarHBondContact O-CG 3.29Å; E26-R30 PolarHBondContact O-N 2.85Å; L27-R30 CarbonylContact O-C 3.5Å; L27-R30 PolarHBondContact O-N 3.03Å; L27-R30 VanDerWaalsContact O-N 3.11Å; V28-R30 PolarHBondContact O-N 3.17Å
31G89Confident86.9Confident47 Ų4747.6 Ų47.649%0.48523%0.231SC..THydrogen-bonded Turntrans86.211.9175.800000114.6A2 L27 V28 K29A2-G31 WeakPolarHBondContact CB-O 3.45Å; L27-G31 PolarHBondContact O-N 2.89Å; V28-G31 WeakPolarHBondContact O-CA 3.26Å; V28-G31 PolarHBondContact O-N 2.89Å; K29-G31 PolarHBondContact O-N 3.36Å
32H85.8Confident86.5Confident38 Ų3851.6 Ų51.618%0.17625%0.248CC..  trans-78.2144.9175.6-63.1-98.9000111.1G3 V5 L27 V34G3-H32 PolarHBondContact N-ND1 3.31Å; G3-H32 VanDerWaalsContact N-ND1 3.18Å; G3-H32 CarbonylContact O-C 3.52Å; G3-H32 VanDerWaalsContact O-CA 3.25Å; G3-H32 WeakPolarHBondContact O-CA 3.3Å; G3-H32 VanDerWaalsContact O-CB 3.32Å; G3-H32 WeakPolarHBondContact O-CB 3.35Å; V5-H32 HydrophobicContact CG2-CB 4.35Å; L27-H32 HydrophobicContact CB-CB 4.19Å; L27-H32 WeakPolarHBondContact O-CB 3.36Å; L27-H32 PolarHBondContact O-CD2 3.47Å; L27-H32 VanDerWaalsContact O-CD2 3.3Å; L27-H32 PolarHBondContact O-N 2.92Å; H32-V34 HydrophobicContact CB-CG2 4.33Å
33H87.3Confident86Confident77 Ų7750.7 Ų50.736%0.35625%0.253SS..EExtended strand (participates in β ladder)trans-83.4116.3167.1-176.384.7000108G3 R4 V5 S35 E53G3-H33 PolarHBondContact O-N 3.23Å; R4-H33 CarbonylContact C-O 3.56Å; R4-H33 VanDerWaalsContact CA-O 3.3Å; R4-H33 WeakPolarHBondContact CA-O 3.38Å; R4-H33 HydrophobicContact CG-CB 4.21Å; V5-H33 PolarHBondContact N-O 3.45Å; H33-S35 PolarHBondContact NE2-OG 2.87Å; H33-E53 IonicContact CE1-OE2 3.02Å; H33-E53 IonicContact NE2-OE2 2.67Å; H33-E53 PolarHBondContact NE2-OE2 3.24Å
34V88.1Confident85.3Confident0 Ų049.4 Ų49.40%025%0.246CC..EExtended strand (participates in β ladder)trans-111.3124.3-176.5-173.80000109.5V5 F7 A24 L27 V28 H32 V52 E53V5-V34 HydrophobicContact CB-CG2 4.38Å; V5-V34 WeakPolarHBondContact O-CA 3.19Å; F7-V34 HydrophobicContact CD2-CG1 3.47Å; F7-V34 VanDerWaalsContact CD2-CG1 3.47Å; F7-V34 HydrophobicContact CE2-CG1 3.55Å; A24-V34 HydrophobicContact CB-CG1 3.84Å; L27-V34 HydrophobicContact CB-CG2 3.65Å; L27-V34 HydrophobicContact CD1-CG2 4.48Å; V28-V34 HydrophobicContact CG2-CB 3.99Å; V28-V34 HydrophobicContact CG2-CG2 3.68Å; H32-V34 HydrophobicContact CB-CG2 4.33Å; V34-V52 HydrophobicContact CB-CG1 4.48Å; V34-V52 HydrophobicContact CB-CG2 4.36Å; V34-V52 HydrophobicContact CG1-CG1 4.2Å; V34-V52 WeakPolarHBondContact O-CA 3.24Å; V34-E53 PolarHBondContact O-N 2.81Å
35S87.1Confident84.7Confident0 Ų059.4 Ų59.40%028%0.284CS..EExtended strand (participates in β ladder)trans-115.6148.7171.3-52.10000109.7V5 L6 F7 H33 E53 Y126V5-S35 PolarHBondContact O-N 3.24Å; L6-S35 WeakPolarHBondContact CA-O 3.3Å; F7-S35 PolarHBondContact N-O 3.06Å; H33-S35 PolarHBondContact NE2-OG 2.87Å; S35-E53 CarbonylContact C-O 3.45Å; S35-E53 VanDerWaalsContact CA-O 3.23Å; S35-E53 WeakPolarHBondContact CA-O 3.43Å; S35-E53 PolarHBondContact OG-OE2 3.02Å; S35-Y126 PolarHBondContact OG-OH 3.47Å
36I85.7Confident84.2Confident1 Ų157 Ų571%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-118.2128.5172.7-55.1-176.2000107.8F7 Y21 V52 E53 I55 S56F7-I36 HydrophobicContact CB-CB 4.47Å; F7-I36 HydrophobicContact CB-CG1 4.01Å; F7-I36 HydrophobicContact CB-CG2 4.43Å; F7-I36 HydrophobicContact CD2-CG1 4.37Å; F7-I36 WeakPolarHBondContact O-CA 3.32Å; Y21-I36 HydrophobicContact CD1-CD1 3.51Å; Y21-I36 HydrophobicContact CE1-CD1 3.17Å; I36-V52 HydrophobicContact CD1-CG1 3.64Å; I36-V52 HydrophobicContact CG1-CG1 3.64Å; I36-E53 PolarHBondContact N-O 2.82Å; I36-I55 WeakPolarHBondContact O-CG1 3.46Å; I36-I55 PolarHBondContact O-N 2.8Å; I36-S56 PolarHBondContact O-OG 2.81Å
37W83.8Confident84Confident39 Ų3959.2 Ų59.215%0.14829%0.294CS..  trans-128.3128.5174.4179.879.2000110.4L6 F7 V8 P9 V39 I55 W57 F114 L117L6-W37 HydrophobicContact CD1-CB 3.82Å; F7-W37 PolarHBondContact O-N 3.44Å; V8-W37 WeakPolarHBondContact CA-O 3.25Å; V8-W37 HydrophobicContact CG1-CE3 4.13Å; V8-W37 HydrophobicContact CG1-CZ3 4.3Å; V8-W37 HydrophobicContact CG2-CE3 4.05Å; P9-W37 WeakPolarHBondContact CD-O 3.35Å; W37-V39 HydrophobicContact CH2-CG2 4.39Å; W37-V39 HydrophobicContact CZ2-CG2 4.12Å; W37-I55 HydrophobicContact CB-CD1 3.92Å; W37-I55 HydrophobicContact CB-CG1 3.91Å; W37-I55 HydrophobicContact CG-CD1 4.42Å; W37-W57 HydrophobicContact CZ2-CE3 4.26Å; W37-W57 HydrophobicContact CZ2-CH2 4.27Å; W37-W57 AromaticContact CZ2-CZ3 3.98Å; W37-W57 HydrophobicContact CZ2-CZ3 3.98Å; W37-W57 AromaticContact NE1-CD2 3.72Å; W37-W57 AromaticContact NE1-CE2 3.51Å; W37-W57 AromaticContact NE1-CH2 3.95Å; W37-W57 AromaticContact NE1-CZ2 3.66Å; W37-W57 AromaticContact NE1-NE1 3.89Å; W37-F114 HydrophobicContact CH2-CD2 4.32Å; W37-F114 AromaticContact CH2-CE2 3.87Å; W37-F114 HydrophobicContact CH2-CE2 3.87Å; W37-F114 HydrophobicContact CZ2-CD2 4.01Å; W37-F114 HydrophobicContact CZ2-CE2 4.04Å; W37-L117 HydrophobicContact CD2-CD1 4.18Å; W37-L117 HydrophobicContact CG-CD1 4.13Å; W37-L117 HydrophobicContact CZ2-CD1 4.33Å
38G80Confident84Confident4 Ų460.4 Ų60.44%0.04130%0.303CS..  trans-153.2169.7169.600000111.2S56 W57G38-S56 PolarHBondContact N-OG 2.89Å; G38-S56 CarbonylContact O-C 3.58Å; G38-S56 WeakPolarHBondContact O-CA 3.43Å; G38-S56 WeakPolarHBondContact O-CB 3.36Å; G38-W57 PolarHBondContact O-N 3.08Å
39V79Confident84Confident18 Ų1859.2 Ų59.211%0.10930%0.296CS..EExtended strand (participates in β ladder)trans-109.6123.5173.7-179.50000108.1W37 W57 V59 M102 A106W37-V39 HydrophobicContact CH2-CG2 4.39Å; W37-V39 HydrophobicContact CZ2-CG2 4.12Å; V39-W57 HydrophobicContact CG2-CE3 4.38Å; V39-V59 HydrophobicContact CG1-CB 4.33Å; V39-V59 HydrophobicContact CG1-CG1 3.88Å; V39-V59 HydrophobicContact CG1-CG2 3.48Å; V39-V59 VanDerWaalsContact CG1-CG2 3.48Å; V39-M102 HydrophobicContact CG1-CB 4.06Å; V39-M102 HydrophobicContact CG1-CE 4.25Å; V39-M102 WeakPolarHBondContact O-CE 3.44Å; V39-A106 HydrophobicContact CG1-CB 3.96Å; V39-A106 HydrophobicContact CG2-CB 3.84Å
40F81.1Confident84Confident16 Ų1661.7 Ų61.77%0.0731%0.307CS..EExtended strand (participates in β ladder)trans-127.3156.7-174.2-59-69.7000111.3P9 V12 K42 S56 W57 T58 V59P9-F40 HydrophobicContact CG-CZ 4.06Å; V12-F40 HydrophobicContact CB-CD1 4.03Å; V12-F40 HydrophobicContact CB-CE1 4.2Å; V12-F40 HydrophobicContact CG1-CD1 3.67Å; V12-F40 HydrophobicContact CG1-CE1 3.95Å; F40-K42 WeakPolarHBondContact CB-O 3.41Å; F40-S56 VanDerWaalsContact CE2-CB 3.4Å; F40-S56 WeakPolarHBondContact CE2-OG 3.29Å; F40-W57 PolarHBondContact N-O 3.22Å; F40-T58 CarbonylContact O-C 3.5Å; F40-T58 VanDerWaalsContact O-CA 3.27Å; F40-T58 WeakPolarHBondContact O-CA 3.42Å; F40-V59 PolarHBondContact O-N 2.94Å
41L79.3Confident84.2Confident24 Ų2455.5 Ų55.513%0.12630%0.299CS..SBendtrans-91.7-17.4175.1-67.9170.6000113.4V59 V61 I66 F70 L71 M102L41-V59 HydrophobicContact CD2-CG2 4.4Å; L41-V61 HydrophobicContact CD2-CB 4.43Å; L41-V61 HydrophobicContact CD2-CG1 3.91Å; L41-V61 HydrophobicContact CD2-CG2 3.76Å; L41-I66 HydrophobicContact CD1-CG2 4.08Å; L41-F70 HydrophobicContact CD1-CB 3.41Å; L41-F70 VanDerWaalsContact CD1-CB 3.41Å; L41-F70 HydrophobicContact CD1-CD2 3.68Å; L41-F70 HydrophobicContact CD1-CG 3.62Å; L41-L71 HydrophobicContact CB-CD2 4.22Å; L41-M102 HydrophobicContact CD1-CE 4.45Å; L41-M102 HydrophobicContact CD1-SD 3.83Å; L41-M102 HydrophobicContact CD2-CE 4.33Å; L41-M102 HydrophobicContact CD2-CG 3.97Å; L41-M102 HydrophobicContact CD2-SD 4.12Å; L41-M102 HydrophobicContact CG-CE 3.81Å; L41-M102 HydrophobicContact CG-CG 4.28Å; L41-M102 HydrophobicContact CG-SD 3.75Å
42K78.9Confident84.3Confident93 Ų9354 Ų5440%0.40428%0.28SS..SBendtrans-144.2157.6174.659.3170.2171.5-172.30109.7F40 D44 L71F40-K42 WeakPolarHBondContact CB-O 3.41Å; K42-D44 PolarHBondContact O-N 3.29Å; K42-L71 HydrophobicContact CB-CD2 3.79Å; K42-L71 HydrophobicContact CD-CD2 3.56Å; K42-L71 HydrophobicContact CG-CD2 3.56Å
43P78.1Confident84.5Confident98 Ų9856.1 Ų56.164%0.63629%0.29SS*.  trans-55138.1163.8-22.634.2000110.2
44D72.3Confident84.6Confident45 Ų4555.8 Ų55.824%0.24129%0.291CS..  trans-75152.5175.1-165-4.4000111K17 K42 V46K17-D44 WeakPolarHBondContact CD-OD2 3.47Å; K17-D44 VanDerWaalsContact CE-OD2 3.28Å; K17-D44 WeakPolarHBondContact CE-OD2 3.41Å; K17-D44 IonicContact NZ-OD2 2.82Å; K17-D44 PolarHBondContact NZ-OD2 3.05Å; K42-D44 PolarHBondContact O-N 3.29Å; D44-V46 WeakPolarHBondContact OD1-CG2 3.17Å; D44-V46 PolarHBondContact OD1-N 3.33Å
45R76.9Confident84.5Confident210 Ų21057.6 Ų57.679%0.79230%0.3SS*.SBendtrans-92-15.2172.8-65.3-178.9177.3178.7-0.7112.6P47R45-P47 VanDerWaalsContact O-CD 3.32Å; R45-P47 WeakPolarHBondContact O-CD 3.48Å
46V80.6Confident84.5Confident27 Ų2758.8 Ų58.816%0.16431%0.309CS..SBendtrans-70.1119.3178.3-172.40000109.9E14 Y21 D44 V48E14-V46 HydrophobicContact CB-CG2 3.88Å; E14-V46 HydrophobicContact CG-CG2 4.01Å; Y21-V46 HydrophobicContact CD2-CG1 3.66Å; Y21-V46 HydrophobicContact CE2-CB 4.08Å; Y21-V46 HydrophobicContact CE2-CG1 3.45Å; Y21-V46 VanDerWaalsContact CE2-CG1 3.45Å; D44-V46 WeakPolarHBondContact OD1-CG2 3.17Å; D44-V46 PolarHBondContact OD1-N 3.33Å; V46-V48 PolarHBondContact O-N 3.49Å
47P86.3Confident84.5Confident109 Ų10959.2 Ų59.271%0.70831%0.311SS*.PPolyproline II helixtrans-61.8132.1178.1-21.933.6000111.8Y21 R45Y21-P47 WeakPolarHBondContact CD2-O 3.25Å; Y21-P47 VanDerWaalsContact CE2-O 3.26Å; Y21-P47 WeakPolarHBondContact CE2-O 3.19Å; R45-P47 VanDerWaalsContact O-CD 3.32Å; R45-P47 WeakPolarHBondContact O-CD 3.48Å
48V89.2Confident84.6Confident56 Ų5661 Ų6134%0.33933%0.326SS..PPolyproline II helixtrans-71.6131.2175.5-177.50000109.4V46 V52 D54V46-V48 PolarHBondContact O-N 3.49Å; V48-V52 HydrophobicContact CG1-CB 3.98Å; V48-V52 HydrophobicContact CG1-CG1 4.1Å; V48-V52 WeakPolarHBondContact CG1-O 3.33Å; V48-D54 HydrophobicContact CG1-CB 4.18Å; V48-D54 HydrophobicContact CG2-CB 3.72Å
49P91.8Very high84.8Confident14 Ų1461.3 Ų61.39%0.09133%0.327CS..PPolyproline II helixtrans-63.9151.9179.7-20.832.1000112.7Y21 E25 G51 V52Y21-P49 HydrophobicContact CD2-CG 3.91Å; Y21-P49 HydrophobicContact CG-CG 3.86Å; E25-P49 HydrophobicContact CG-CB 3.49Å; E25-P49 VanDerWaalsContact CG-CB 3.49Å; E25-P49 HydrophobicContact CG-CG 3.96Å; P49-G51 PolarHBondContact O-N 2.79Å; P49-V52 HydrophobicContact CB-CG2 3.91Å; P49-V52 HydrophobicContact CG-CG2 4.26Å; P49-V52 WeakPolarHBondContact O-CB 3.49Å; P49-V52 PolarHBondContact O-N 2.71Å; P49-V52 VanDerWaalsContact O-N 3.12Å
50K94Very high85.2Confident199 Ų19968.6 Ų68.687%0.86536%0.357SS*.THydrogen-bonded Turntrans-61.7131.2179.6-174.1179.8179.3-178.70110.8V52K50-V52 PolarHBondContact O-N 2.85Å
51G93Very high85.4Confident51 Ų5167.8 Ų67.853%0.52635%0.354SS..THydrogen-bonded Turntrans83.4-2.2179.500000114.1P49P49-G51 PolarHBondContact O-N 2.79Å
52V91.7Very high85.7Confident14 Ų1471.3 Ų71.39%0.08538%0.378CS..EExtended strand (participates in β ladder)trans-92.3133.6167.5-177.20000108.6A24 V28 V34 I36 V48 P49 K50A24-V52 HydrophobicContact CB-CG1 4.48Å; A24-V52 HydrophobicContact CB-CG2 3.73Å; V28-V52 HydrophobicContact CG2-CG2 3.87Å; V34-V52 HydrophobicContact CB-CG1 4.48Å; V34-V52 HydrophobicContact CB-CG2 4.36Å; V34-V52 HydrophobicContact CG1-CG1 4.2Å; V34-V52 WeakPolarHBondContact O-CA 3.24Å; I36-V52 HydrophobicContact CD1-CG1 3.64Å; I36-V52 HydrophobicContact CG1-CG1 3.64Å; V48-V52 HydrophobicContact CG1-CB 3.98Å; V48-V52 HydrophobicContact CG1-CG1 4.1Å; V48-V52 WeakPolarHBondContact CG1-O 3.33Å; P49-V52 HydrophobicContact CB-CG2 3.91Å; P49-V52 HydrophobicContact CG-CG2 4.26Å; P49-V52 WeakPolarHBondContact O-CB 3.49Å; P49-V52 PolarHBondContact O-N 2.71Å; P49-V52 VanDerWaalsContact O-N 3.12Å; K50-V52 PolarHBondContact O-N 2.85Å
53E91Very high86.1Confident84 Ų8469 Ų6939%0.39337%0.369SS..EExtended strand (participates in β ladder)trans-95.8119177.4-175.6-174-162.400110H33 V34 S35 I36 I55H33-E53 IonicContact CE1-OE2 3.02Å; H33-E53 IonicContact NE2-OE2 2.67Å; H33-E53 PolarHBondContact NE2-OE2 3.24Å; V34-E53 PolarHBondContact O-N 2.81Å; S35-E53 CarbonylContact C-O 3.45Å; S35-E53 VanDerWaalsContact CA-O 3.23Å; S35-E53 WeakPolarHBondContact CA-O 3.43Å; S35-E53 PolarHBondContact OG-OE2 3.02Å; I36-E53 PolarHBondContact N-O 2.82Å; E53-I55 HydrophobicContact CG-CG2 3.81Å
54D88.4Confident86.2Confident69 Ų6968 Ų6837%0.36936%0.364SS..EExtended strand (participates in β ladder)trans-92.6108.7171.4-170.9-2.6000110.2V48 S56V48-D54 HydrophobicContact CG1-CB 4.18Å; V48-D54 HydrophobicContact CG2-CB 3.72Å; D54-S56 WeakPolarHBondContact OD1-CB 3.08Å; D54-S56 PolarHBondContact OD1-N 3.43Å; D54-S56 PolarHBondContact OD1-OG 3.03Å
55I87.3Confident86.3Confident38 Ų3870.8 Ų70.820%0.19537%0.372CS..  trans-106.316.9177.951.9164.4000111.6L6 I36 W37 E53 W57 L117L6-I55 HydrophobicContact CD1-CD1 4.21Å; I36-I55 WeakPolarHBondContact O-CG1 3.46Å; I36-I55 PolarHBondContact O-N 2.8Å; W37-I55 HydrophobicContact CB-CD1 3.92Å; W37-I55 HydrophobicContact CB-CG1 3.91Å; W37-I55 HydrophobicContact CG-CD1 4.42Å; E53-I55 HydrophobicContact CG-CG2 3.81Å; I55-W57 PolarHBondContact O-NE1 2.94Å; I55-L117 HydrophobicContact CD1-CD2 3.69Å
56S85.5Confident86.2Confident26 Ų2660.8 Ų60.818%0.18233%0.334CS..  trans-69.2156.2-175.7-55.80000113.3I36 G38 F40 D54I36-S56 PolarHBondContact O-OG 2.81Å; G38-S56 PolarHBondContact N-OG 2.89Å; G38-S56 CarbonylContact O-C 3.58Å; G38-S56 WeakPolarHBondContact O-CA 3.43Å; G38-S56 WeakPolarHBondContact O-CB 3.36Å; F40-S56 VanDerWaalsContact CE2-CB 3.4Å; F40-S56 WeakPolarHBondContact CE2-OG 3.29Å; D54-S56 WeakPolarHBondContact OD1-CB 3.08Å; D54-S56 PolarHBondContact OD1-N 3.43Å; D54-S56 PolarHBondContact OD1-OG 3.03Å
57W85.6Confident85.8Confident10 Ų1061.8 Ų61.84%0.03834%0.337CS..EExtended strand (participates in β ladder)trans-112.2131-174.7-58.8-11.7000110.7W37 G38 V39 F40 I55 A106 R110 D113 F114 L117W37-W57 HydrophobicContact CZ2-CE3 4.26Å; W37-W57 HydrophobicContact CZ2-CH2 4.27Å; W37-W57 AromaticContact CZ2-CZ3 3.98Å; W37-W57 HydrophobicContact CZ2-CZ3 3.98Å; W37-W57 AromaticContact NE1-CD2 3.72Å; W37-W57 AromaticContact NE1-CE2 3.51Å; W37-W57 AromaticContact NE1-CH2 3.95Å; W37-W57 AromaticContact NE1-CZ2 3.66Å; W37-W57 AromaticContact NE1-NE1 3.89Å; G38-W57 PolarHBondContact O-N 3.08Å; V39-W57 HydrophobicContact CG2-CE3 4.38Å; F40-W57 PolarHBondContact N-O 3.22Å; I55-W57 PolarHBondContact O-NE1 2.94Å; W57-A106 HydrophobicContact CE3-CB 4.02Å; W57-A106 HydrophobicContact CZ3-CB 4.26Å; W57-R110 HydrophobicContact CE3-CB 4.14Å; W57-R110 HydrophobicContact CE3-CG 4.49Å; W57-R110 HydrophobicContact CH2-CB 4.12Å; W57-R110 HydrophobicContact CZ3-CB 3.9Å; W57-D113 HydrophobicContact CH2-CB 4.23Å; W57-D113 HydrophobicContact CZ2-CB 3.76Å; W57-F114 HydrophobicContact CH2-CB 3.71Å; W57-F114 HydrophobicContact CH2-CD2 4.07Å; W57-F114 HydrophobicContact CH2-CG 4.41Å; W57-F114 HydrophobicContact CZ3-CB 4.34Å; W57-F114 HydrophobicContact CZ3-CD2 4.38Å; W57-L117 HydrophobicContact CH2-CD1 4.1Å; W57-L117 HydrophobicContact CZ2-CD1 3.8Å
58T87.3Confident85Confident77 Ų7759.1 Ų59.147%0.47232%0.317SS..EExtended strand (participates in β ladder)trans-90.7124.5163.3-59.40000108.7F40F40-T58 CarbonylContact O-C 3.5Å; F40-T58 VanDerWaalsContact O-CA 3.27Å; F40-T58 WeakPolarHBondContact O-CA 3.42Å
59V84.6Confident83.8Confident10 Ų1057.2 Ų57.26%0.06130%0.304CS..  trans-117.5151.5178.1-61.40000110.8V39 F40 L41 M102 V105 A106V39-V59 HydrophobicContact CG1-CB 4.33Å; V39-V59 HydrophobicContact CG1-CG1 3.88Å; V39-V59 HydrophobicContact CG1-CG2 3.48Å; V39-V59 VanDerWaalsContact CG1-CG2 3.48Å; F40-V59 PolarHBondContact O-N 2.94Å; L41-V59 HydrophobicContact CD2-CG2 4.4Å; V59-M102 HydrophobicContact CG2-CB 4.42Å; V59-V105 HydrophobicContact CB-CG1 4.35Å; V59-A106 HydrophobicContact CG1-CB 3.94Å
60K87.2Confident82.4Confident170 Ų17058.6 Ų58.674%0.73931%0.309SS*.  trans-109.9108172-171.6178.9-177.4-179.80108.8
61V84.3Confident80.9Confident0 Ų051.4 Ų51.40%028%0.28CS..  trans-78.2138.9173.3-620000109.9L41 E63 I66 Q67 M102 V105L41-V61 HydrophobicContact CD2-CB 4.43Å; L41-V61 HydrophobicContact CD2-CG1 3.91Å; L41-V61 HydrophobicContact CD2-CG2 3.76Å; V61-E63 PolarHBondContact O-N 2.59Å; V61-I66 HydrophobicContact CG2-CB 3.78Å; V61-I66 HydrophobicContact CG2-CG2 3.79Å; V61-Q67 HydrophobicContact CG2-CG 3.8Å; V61-Q67 PolarHBondContact O-NE2 3.26Å; V61-M102 HydrophobicContact CG1-CG 3.89Å; V61-V105 HydrophobicContact CG1-CB 4.38Å; V61-V105 HydrophobicContact CG1-CG2 4.15Å
62P86.1Confident79.1Confident98 Ų9855.1 Ų55.164%0.63628%0.279SS*.SBendtrans-67.2-25.5-179.624.6-31.6000112.8S64P62-S64 PolarHBondContact O-N 2.81Å
63E86.2Confident77.2Confident45 Ų4558.5 Ų58.521%0.2129%0.293CS..  trans-74.2104.9-179.1-59.881.5-174.500111.3V61 Y65 I66 Q67 R101V61-E63 PolarHBondContact O-N 2.59Å; E63-Y65 HydrophobicContact CB-CD1 3.79Å; E63-Y65 HydrophobicContact CB-CE1 3.48Å; E63-Y65 VanDerWaalsContact CB-CE1 3.48Å; E63-Y65 HydrophobicContact CG-CD1 4.44Å; E63-Y65 HydrophobicContact CG-CE1 3.7Å; E63-Y65 PolarHBondContact O-N 2.9Å; E63-I66 HydrophobicContact CB-CB 4.38Å; E63-I66 HydrophobicContact CB-CD1 3.81Å; E63-I66 HydrophobicContact CB-CG1 3.79Å; E63-I66 HydrophobicContact CG-CD1 4.19Å; E63-I66 PolarHBondContact O-N 3.5Å; E63-I66 VanDerWaalsContact O-N 3.08Å; E63-Q67 PolarHBondContact O-N 3.12Å; E63-R101 IonicContact OE1-CZ 3.36Å; E63-R101 IonicContact OE1-NE 3.4Å; E63-R101 PolarHBondContact OE1-NE 2.99Å; E63-R101 IonicContact OE1-NH2 3.02Å; E63-R101 PolarHBondContact OE1-NH2 3.34Å; E63-R101 IonicContact OE2-NE 2.7Å
64S81.6Confident75.3Confident77 Ų7761.6 Ų61.654%0.53831%0.313SS..Hα-helixtrans-59.3-29.5179.5610000113.2P62 I66 Q67 N68P62-S64 PolarHBondContact O-N 2.81Å; S64-I66 VanDerWaalsContact C-N 3.31Å; S64-I66 PolarHBondContact O-N 3.34Å; S64-Q67 PolarHBondContact O-N 3.38Å; S64-N68 VanDerWaalsContact O-CB 3.29Å; S64-N68 WeakPolarHBondContact O-CB 3.49Å; S64-N68 PolarHBondContact O-N 3.14Å; S64-N68 PolarHBondContact O-ND2 3.24Å
65Y73.4Confident73.3Confident103 Ų10362.3 Ų62.340%0.40433%0.328SS..Hα-helixtrans-65.6-33.8177.573.5-98.9000112.5E63 N68 M69 Y78E63-Y65 HydrophobicContact CB-CD1 3.79Å; E63-Y65 HydrophobicContact CB-CE1 3.48Å; E63-Y65 VanDerWaalsContact CB-CE1 3.48Å; E63-Y65 HydrophobicContact CG-CD1 4.44Å; E63-Y65 HydrophobicContact CG-CE1 3.7Å; E63-Y65 PolarHBondContact O-N 2.9Å; Y65-N68 PolarHBondContact O-N 2.86Å; Y65-M69 HydrophobicContact CD2-CE 3.54Å; Y65-M69 HydrophobicContact CE2-CE 4.02Å; Y65-M69 WeakPolarHBondContact O-CB 3.07Å; Y65-M69 WeakPolarHBondContact O-CG 3.21Å; Y65-M69 PolarHBondContact O-N 3.46Å; Y65-Y78 WeakPolarHBondContact CB-OH 3.33Å
66I74.5Confident71.5Confident0 Ų061.3 Ų61.30%033%0.325CS..Hα-helixtrans-69.4-47.2177.1-59-175.9000109.5L41 V61 E63 S64 N68 M69 F70 M98 R101L41-I66 HydrophobicContact CD1-CG2 4.08Å; V61-I66 HydrophobicContact CG2-CB 3.78Å; V61-I66 HydrophobicContact CG2-CG2 3.79Å; E63-I66 HydrophobicContact CB-CB 4.38Å; E63-I66 HydrophobicContact CB-CD1 3.81Å; E63-I66 HydrophobicContact CB-CG1 3.79Å; E63-I66 HydrophobicContact CG-CD1 4.19Å; E63-I66 PolarHBondContact O-N 3.5Å; E63-I66 VanDerWaalsContact O-N 3.08Å; S64-I66 VanDerWaalsContact C-N 3.31Å; S64-I66 PolarHBondContact O-N 3.34Å; I66-N68 PolarHBondContact O-N 3.18Å; I66-M69 PolarHBondContact O-N 3.48Å; I66-F70 HydrophobicContact CG2-CD2 4.06Å; I66-F70 HydrophobicContact CG2-CE2 4.44Å; I66-F70 PolarHBondContact O-N 2.91Å; I66-F70 VanDerWaalsContact O-N 3.12Å; I66-M98 HydrophobicContact CB-CG 4.48Å; I66-M98 HydrophobicContact CB-SD 4.44Å; I66-M98 HydrophobicContact CD1-CG 4.38Å; I66-M98 HydrophobicContact CG1-CG 4.01Å; I66-M98 HydrophobicContact CG1-SD 4.44Å; I66-M98 HydrophobicContact CG2-CB 4.03Å; I66-M98 HydrophobicContact CG2-CG 4.08Å; I66-M98 HydrophobicContact CG2-SD 4.11Å; I66-R101 HydrophobicContact CD1-CB 3.87Å; I66-R101 HydrophobicContact CD1-CG 3.69Å
67Q72.1Confident70Confident48 Ų4866.3 Ų66.322%0.22435%0.354CS..Hα-helixtrans-56.8-42.6173.5-63.1-176.614.600110.8V61 E63 S64 L71V61-Q67 HydrophobicContact CG2-CG 3.8Å; V61-Q67 PolarHBondContact O-NE2 3.26Å; E63-Q67 PolarHBondContact O-N 3.12Å; S64-Q67 PolarHBondContact O-N 3.38Å; Q67-L71 HydrophobicContact CB-CD1 4.23Å; Q67-L71 WeakPolarHBondContact O-CB 3.41Å; Q67-L71 VanDerWaalsContact O-CG 3.23Å; Q67-L71 WeakPolarHBondContact O-CG 3.46Å; Q67-L71 PolarHBondContact O-N 2.93Å
68N70.2Confident68.4Low53 Ų5369.3 Ų69.328%0.28337%0.366SS..Hα-helixtrans-69.8-41.5-177.8-71.8-23.7000113.6S64 Y65 I66 Y72 Y78S64-N68 VanDerWaalsContact O-CB 3.29Å; S64-N68 WeakPolarHBondContact O-CB 3.49Å; S64-N68 PolarHBondContact O-N 3.14Å; S64-N68 PolarHBondContact O-ND2 3.24Å; Y65-N68 PolarHBondContact O-N 2.86Å; I66-N68 PolarHBondContact O-N 3.18Å; N68-Y72 CarbonylContact O-C 3.39Å; N68-Y72 WeakPolarHBondContact O-CA 3.41Å; N68-Y72 WeakPolarHBondContact O-CB 3.2Å; N68-Y72 PolarHBondContact O-N 3.19Å; N68-Y72 VanDerWaalsContact O-N 3.09Å; N68-Y78 HydrophobicContact CB-CD2 4.26Å; N68-Y78 HydrophobicContact CB-CE2 4.2Å
69M64.8Low67Low15 Ų1571.9 Ų71.97%0.07437%0.37CS..Hα-helixtrans-66.2-39.1177.8-75-162.9-73.500112Y65 I66 Y78 M98Y65-M69 HydrophobicContact CD2-CE 3.54Å; Y65-M69 HydrophobicContact CE2-CE 4.02Å; Y65-M69 WeakPolarHBondContact O-CB 3.07Å; Y65-M69 WeakPolarHBondContact O-CG 3.21Å; Y65-M69 PolarHBondContact O-N 3.46Å; I66-M69 PolarHBondContact O-N 3.48Å; M69-Y78 HydrophobicContact CG-CD1 4.05Å; M69-Y78 HydrophobicContact CG-CD2 3.69Å; M69-Y78 HydrophobicContact CG-CE2 4.41Å; M69-Y78 HydrophobicContact CG-CG 3.5Å; M69-Y78 VanDerWaalsContact CG-CG 3.5Å; M69-Y78 HydrophobicContact SD-CD1 3.98Å; M69-Y78 HydrophobicContact SD-CG 4.01Å; M69-M98 HydrophobicContact CB-CE 4.34Å; M69-M98 HydrophobicContact CB-SD 3.93Å; M69-M98 HydrophobicContact CE-CE 4.03Å; M69-M98 HydrophobicContact CE-CG 4.17Å; M69-M98 HydrophobicContact CE-SD 3.25Å; M69-M98 WeakPolarHBondContact CE-SD 3.48Å; M69-M98 HydrophobicContact SD-CE 4.47Å; M69-M98 HydrophobicContact SD-SD 4.27Å
70F62.3Low65.8Low43 Ų4373.4 Ų73.419%0.18938%0.384CS..Hα-helixtrans-85-36-178-90.6-78.2000115.4V12 L41 I66 M98 M102V12-F70 HydrophobicContact CG2-CD1 3.58Å; V12-F70 HydrophobicContact CG2-CE1 3.4Å; V12-F70 VanDerWaalsContact CG2-CE1 3.4Å; L41-F70 HydrophobicContact CD1-CB 3.41Å; L41-F70 VanDerWaalsContact CD1-CB 3.41Å; L41-F70 HydrophobicContact CD1-CD2 3.68Å; L41-F70 HydrophobicContact CD1-CG 3.62Å; I66-F70 HydrophobicContact CG2-CD2 4.06Å; I66-F70 HydrophobicContact CG2-CE2 4.44Å; I66-F70 PolarHBondContact O-N 2.91Å; I66-F70 VanDerWaalsContact O-N 3.12Å; F70-M98 HydrophobicContact CD2-CB 4.39Å; F70-M98 HydrophobicContact CD2-CE 4.02Å; F70-M98 HydrophobicContact CD2-SD 3.69Å; F70-M98 HydrophobicContact CE2-CB 3.52Å; F70-M98 HydrophobicContact CE2-CE 3.45Å; F70-M98 VanDerWaalsContact CE2-CE 3.45Å; F70-M98 HydrophobicContact CE2-CG 4.13Å; F70-M98 HydrophobicContact CE2-SD 3.48Å; F70-M98 WeakPolarHBondContact CE2-SD 3.42Å; F70-M98 HydrophobicContact CZ-CB 4.35Å; F70-M98 HydrophobicContact CZ-CE 4.08Å; F70-M102 HydrophobicContact CE2-SD 4.24Å; F70-M102 HydrophobicContact CZ-SD 4.46Å
71L61.3Low64.4Low49 Ų4967 Ų6726%0.25736%0.359SS..Hα-helixtrans-91.1-27-175.8-58.8175000112.1L41 K42 Q67L41-L71 HydrophobicContact CB-CD2 4.22Å; K42-L71 HydrophobicContact CB-CD2 3.79Å; K42-L71 HydrophobicContact CD-CD2 3.56Å; K42-L71 HydrophobicContact CG-CD2 3.56Å; Q67-L71 HydrophobicContact CB-CD1 4.23Å; Q67-L71 WeakPolarHBondContact O-CB 3.41Å; Q67-L71 VanDerWaalsContact O-CG 3.23Å; Q67-L71 WeakPolarHBondContact O-CG 3.46Å; Q67-L71 PolarHBondContact O-N 2.93Å
72Y56Low63Low128 Ų12870.1 Ų70.150%0.50237%0.371SS..  trans-129.749.1-168.7-56.8-65.9000112.5N68 N74 A75 S76N68-Y72 CarbonylContact O-C 3.39Å; N68-Y72 WeakPolarHBondContact O-CA 3.41Å; N68-Y72 WeakPolarHBondContact O-CB 3.2Å; N68-Y72 PolarHBondContact O-N 3.19Å; N68-Y72 VanDerWaalsContact O-N 3.09Å; Y72-N74 PolarHBondContact O-N 3.44Å; Y72-A75 PolarHBondContact O-N 3.31Å; Y72-S76 PolarHBondContact O-N 2.7Å; Y72-S76 PolarHBondContact O-OG 3.05Å
73E52.4Low61.8Low85 Ų8570.9 Ų70.940%0.39736%0.364SS..THydrogen-bonded Turntrans-44.2-37.4171.1-74-178.9168.500112W82E73-W82 HydrophobicContact CG-CZ2 4.36Å
74N49.5Very low60.5Low150 Ų15076.6 Ų76.680%0.80240%0.396SS*.THydrogen-bonded Turntrans-87.4-15.7-178.3-79.3-26.3000116.5Y72Y72-N74 PolarHBondContact O-N 3.44Å
75A47Very low59.4Low83 Ų8377.7 Ų77.769%0.68640%0.404SS*.THydrogen-bonded Turntrans-126.47-165.100000115.7Y72Y72-A75 PolarHBondContact O-N 3.31Å
76S49.5Very low58.7Low18 Ų1874.6 Ų74.613%0.12640%0.396CS..SBendtrans-112.2156.6-177.667.90000113.3Y72 Y78 K79Y72-S76 PolarHBondContact O-N 2.7Å; Y72-S76 PolarHBondContact O-OG 3.05Å; S76-Y78 PolarHBondContact O-N 2.79Å; S76-K79 PolarHBondContact O-N 3.1Å
77V53.3Low58.1Low130 Ų13078.2 Ų78.279%0.78842%0.421SS*.G310 helixtrans-53.6-14.9169.2-690000113K79V77-K79 VanDerWaalsContact C-N 3.3Å; V77-K79 PolarHBondContact O-N 3.46Å
78Y52.3Low57.7Low74 Ų7478 Ų7829%0.2942%0.42SS..G310 helixtrans-811.1175.8-54-71.9000114.5Y65 N68 M69 S76 A80 V81Y65-Y78 WeakPolarHBondContact CB-OH 3.33Å; N68-Y78 HydrophobicContact CB-CD2 4.26Å; N68-Y78 HydrophobicContact CB-CE2 4.2Å; M69-Y78 HydrophobicContact CG-CD1 4.05Å; M69-Y78 HydrophobicContact CG-CD2 3.69Å; M69-Y78 HydrophobicContact CG-CE2 4.41Å; M69-Y78 HydrophobicContact CG-CG 3.5Å; M69-Y78 VanDerWaalsContact CG-CG 3.5Å; M69-Y78 HydrophobicContact SD-CD1 3.98Å; M69-Y78 HydrophobicContact SD-CG 4.01Å; S76-Y78 PolarHBondContact O-N 2.79Å; Y78-A80 PolarHBondContact O-N 3.38Å; Y78-V81 WeakPolarHBondContact O-CB 3.23Å; Y78-V81 PolarHBondContact O-N 2.72Å
79K57.7Low57.6Low130 Ų13079.8 Ų79.857%0.56543%0.434SS*.G310 helixtrans-50.5-27.2169.9-171175.2-177.1176.30112.2S76 V77 V81 W82 K83S76-K79 PolarHBondContact O-N 3.1Å; V77-K79 VanDerWaalsContact C-N 3.3Å; V77-K79 PolarHBondContact O-N 3.46Å; K79-V81 VanDerWaalsContact C-N 3.32Å; K79-V81 PolarHBondContact O-N 2.89Å; K79-W82 PolarHBondContact O-N 3.26Å; K79-K83 PolarHBondContact O-N 2.71Å
80A61Low57.6Low43 Ų4381.4 Ų81.436%0.35545%0.45SS..G310 helixtrans-59.5-35.9173.900000113.9Y78 W82 K83 V86Y78-A80 PolarHBondContact O-N 3.38Å; A80-W82 PolarHBondContact O-N 2.93Å; A80-K83 HydrophobicContact CB-CD 4.45Å; A80-K83 WeakPolarHBondContact O-CB 3.33Å; A80-K83 PolarHBondContact O-N 3.3Å; A80-K83 VanDerWaalsContact O-N 3.11Å; A80-V86 WeakPolarHBondContact O-CG2 3.23Å
81V56Low57.7Low36 Ų3680.7 Ų80.722%0.21845%0.446CS..G310 helixtrans-65.4-25.1179.1-1750000111.6Y78 K79Y78-V81 WeakPolarHBondContact O-CB 3.23Å; Y78-V81 PolarHBondContact O-N 2.72Å; K79-V81 VanDerWaalsContact C-N 3.32Å; K79-V81 PolarHBondContact O-N 2.89Å
82W54.9Low57.9Low64 Ų6482 Ų8224%0.24245%0.45CS..G310 helixtrans-95.85.2177.1-55.8109.1000113.7Y13 E73 K79 A80 R91Y13-W82 WeakPolarHBondContact OH-CH2 3.35Å; E73-W82 HydrophobicContact CG-CZ2 4.36Å; K79-W82 PolarHBondContact O-N 3.26Å; A80-W82 PolarHBondContact O-N 2.93Å; W82-R91 HydrophobicContact CE3-CG 4.37Å; W82-R91 HydrophobicContact CZ3-CG 4.09Å
83K61Low58.4Low115 Ų11578.6 Ų78.650%0.545%0.448SS..SBendtrans-76.9141.4173-68.4177.1-179-179.10108.9K79 A80 S85 V86K79-K83 PolarHBondContact O-N 2.71Å; A80-K83 HydrophobicContact CB-CD 4.45Å; A80-K83 WeakPolarHBondContact O-CB 3.33Å; A80-K83 PolarHBondContact O-N 3.3Å; A80-K83 VanDerWaalsContact O-N 3.11Å; K83-S85 WeakPolarHBondContact CB-OG 3Å; K83-S85 PolarHBondContact O-N 3.36Å; K83-V86 PolarHBondContact O-N 2.79Å
84D60.1Low59.2Low165 Ų16575.9 Ų75.988%0.88244%0.44SS*.THydrogen-bonded Turntrans-51.8-20.5172-51.9-14.4000113.5V86D84-V86 VanDerWaalsContact C-N 3.34Å
85S58.8Low60.1Low100 Ų10070.1 Ų70.170%0.69941%0.409SS*.THydrogen-bonded Turntrans-72.9-19.1174.960.30000114.9K83K83-S85 WeakPolarHBondContact CB-OG 3Å; K83-S85 PolarHBondContact O-N 3.36Å
86V58.6Low61.2Low38 Ų3874.5 Ų74.523%0.2341%0.408CS..SBendtrans-86.3124.3175172.20000107.6A80 K83 D84 E88 A90A80-V86 WeakPolarHBondContact O-CG2 3.23Å; K83-V86 PolarHBondContact O-N 2.79Å; D84-V86 VanDerWaalsContact C-N 3.34Å; V86-E88 PolarHBondContact O-N 2.85Å; V86-A90 HydrophobicContact CG1-CB 4.05Å
87S60.5Low62.1Low75 Ų7576.1 Ų76.152%0.52442%0.423SS..  trans-62136.5-17765.40000110.9P89 A90 R91S87-P89 VanDerWaalsContact O-N 3.09Å; S87-A90 WeakPolarHBondContact O-CB 3.49Å; S87-A90 PolarHBondContact O-N 3.41Å; S87-R91 PolarHBondContact O-N 3.04Å
88E64.5Low63Low43 Ų4370.2 Ų70.220%0.20139%0.386CS..Hα-helixtrans-40-44.8173.9-76.2-50.8113.200114.8V86 A90 R91 K92 E137V86-E88 PolarHBondContact O-N 2.85Å; E88-A90 VanDerWaalsContact C-N 3.29Å; E88-A90 PolarHBondContact O-N 3.4Å; E88-R91 PolarHBondContact O-N 3.48Å; E88-R91 IonicContact OE1-CZ 2.91Å; E88-R91 IonicContact OE1-NE 3.75Å; E88-R91 IonicContact OE1-NH1 3.58Å; E88-R91 PolarHBondContact OE1-NH1 2.91Å; E88-R91 IonicContact OE1-NH2 2.68Å; E88-R91 PolarHBondContact OE1-NH2 3.38Å; E88-R91 IonicContact OE2-CZ 3.79Å; E88-R91 IonicContact OE2-NE 2.83Å; E88-R91 IonicContact OE2-NH1 3.36Å; E88-R91 IonicContact OE2-NH2 3.53Å; E88-R91 PolarHBondContact OE2-NH2 2.89Å; E88-K92 WeakPolarHBondContact O-CB 3.42Å; E88-K92 WeakPolarHBondContact O-CG 3.42Å; E88-K92 PolarHBondContact O-N 3Å; E88-E137 HydrophobicContact CG-CG 4.42Å
89P67.4Low64Low91 Ų9168.7 Ų68.759%0.59139%0.39SS*.Hα-helixtrans-61.2-36-179.9-24.136.5000113.6S87 A93S87-P89 VanDerWaalsContact O-N 3.09Å; P89-A93 VanDerWaalsContact O-CB 3.25Å; P89-A93 WeakPolarHBondContact O-CB 3.3Å; P89-A93 PolarHBondContact O-N 3.38Å
90A65.6Low64.8Low49 Ų4966 Ų6641%0.40538%0.381SS..Hα-helixtrans-69.7-40.4179.500000111.3V86 S87 E88 A93 A94V86-A90 HydrophobicContact CG1-CB 4.05Å; S87-A90 WeakPolarHBondContact O-CB 3.49Å; S87-A90 PolarHBondContact O-N 3.41Å; E88-A90 VanDerWaalsContact C-N 3.29Å; E88-A90 PolarHBondContact O-N 3.4Å; A90-A93 PolarHBondContact O-N 3.3Å; A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.06Å
91R64.3Low65.6Low29 Ų2966.4 Ų66.411%0.10937%0.373CS..Hα-helixtrans-64.3-47175.2-172.2173.874.7-147.510.5111.3W82 S87 E88 A93 A94 N95 E137W82-R91 HydrophobicContact CE3-CG 4.37Å; W82-R91 HydrophobicContact CZ3-CG 4.09Å; S87-R91 PolarHBondContact O-N 3.04Å; E88-R91 PolarHBondContact O-N 3.48Å; E88-R91 IonicContact OE1-CZ 2.91Å; E88-R91 IonicContact OE1-NE 3.75Å; E88-R91 IonicContact OE1-NH1 3.58Å; E88-R91 PolarHBondContact OE1-NH1 2.91Å; E88-R91 IonicContact OE1-NH2 2.68Å; E88-R91 PolarHBondContact OE1-NH2 3.38Å; E88-R91 IonicContact OE2-CZ 3.79Å; E88-R91 IonicContact OE2-NE 2.83Å; E88-R91 IonicContact OE2-NH1 3.36Å; E88-R91 IonicContact OE2-NH2 3.53Å; E88-R91 PolarHBondContact OE2-NH2 2.89Å; R91-A93 PolarHBondContact O-N 2.68Å; R91-A94 PolarHBondContact O-N 3.17Å; R91-N95 WeakPolarHBondContact O-CB 3.35Å; R91-N95 PolarHBondContact O-N 3.44Å; R91-E137 IonicContact CZ-OE1 3.91Å; R91-E137 IonicContact NH2-OE1 3.8Å; R91-E137 PolarHBondContact NH2-OE1 3.12Å
92K66.3Low66.7Low76 Ų7665 Ų6533%0.3336%0.364SS..Hα-helixtrans-59.7-45.3175.9-72.2-175.7175.8-164.30112.1E88 A94 N95 W96 D136E88-K92 WeakPolarHBondContact O-CB 3.42Å; E88-K92 WeakPolarHBondContact O-CG 3.42Å; E88-K92 PolarHBondContact O-N 3Å; K92-A94 PolarHBondContact O-N 3.48Å; K92-N95 PolarHBondContact O-N 2.9Å; K92-W96 WeakPolarHBondContact O-CB 3.43Å; K92-W96 PolarHBondContact O-N 3.44Å; K92-D136 WeakPolarHBondContact CE-O 3.48Å; K92-D136 VanDerWaalsContact CE-OD1 3.25Å; K92-D136 WeakPolarHBondContact CE-OD1 3.42Å; K92-D136 PolarHBondContact NZ-O 2.92Å; K92-D136 IonicContact NZ-OD1 3.81Å
93A66.4Low67.9Low57 Ų5764.6 Ų64.647%0.47137%0.37SS..Hα-helixtrans-63-41.3177.200000112.3P89 A90 R91 W96 A97P89-A93 VanDerWaalsContact O-CB 3.25Å; P89-A93 WeakPolarHBondContact O-CB 3.3Å; P89-A93 PolarHBondContact O-N 3.38Å; A90-A93 PolarHBondContact O-N 3.3Å; R91-A93 PolarHBondContact O-N 2.68Å; A93-W96 PolarHBondContact O-N 3.41Å; A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 3.44Å
94A68.1Low68.9Low27 Ų2762.9 Ų62.922%0.22336%0.364CS..Hα-helixtrans-63.8-47.9175.500000111.5A90 R91 K92 W96 A97 M98A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.06Å; R91-A94 PolarHBondContact O-N 3.17Å; K92-A94 PolarHBondContact O-N 3.48Å; A94-W96 VanDerWaalsContact C-N 3.31Å; A94-W96 PolarHBondContact O-N 3.42Å; A94-A97 PolarHBondContact O-N 3.5Å; A94-M98 VanDerWaalsContact O-CG 3.26Å; A94-M98 WeakPolarHBondContact O-CG 3.48Å; A94-M98 PolarHBondContact O-N 3.49Å
95N69.5Low70.1Confident29 Ų2955.4 Ų55.416%0.15532%0.324CS..Hα-helixtrans-57.8-44.3176.8-75-11000111.7R91 K92 M98 A99R91-N95 WeakPolarHBondContact O-CB 3.35Å; R91-N95 PolarHBondContact O-N 3.44Å; K92-N95 PolarHBondContact O-N 2.9Å; N95-M98 PolarHBondContact O-N 2.76Å; N95-M98 WeakPolarHBondContact OD1-CE 3.41Å; N95-A99 WeakPolarHBondContact O-CB 3.4Å; N95-A99 PolarHBondContact O-N 3.26Å
96W68.5Low71.3Confident176 Ų17650.7 Ų50.767%0.66729%0.292SS*.Hα-helixtrans-63.4-49.1176.9-178.981.8000112.6K92 A93 A94 M98 A99 L100K92-W96 WeakPolarHBondContact O-CB 3.43Å; K92-W96 PolarHBondContact O-N 3.44Å; A93-W96 PolarHBondContact O-N 3.41Å; A94-W96 VanDerWaalsContact C-N 3.31Å; A94-W96 PolarHBondContact O-N 3.42Å; W96-M98 VanDerWaalsContact C-N 3.26Å; W96-M98 PolarHBondContact O-N 3.4Å; W96-A99 PolarHBondContact O-N 2.99Å; W96-L100 HydrophobicContact CH2-CD2 3.91Å; W96-L100 HydrophobicContact CZ2-CD2 4.34Å; W96-L100 HydrophobicContact CZ3-CD2 4.23Å; W96-L100 WeakPolarHBondContact O-CB 3.44Å; W96-L100 PolarHBondContact O-N 3.28Å
97A69.6Low72.4Confident52 Ų5252 Ų5243%0.4330%0.297SS..Hα-helixtrans-60.6-37.7179.700000112A93 A94 R101A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 3.44Å; A94-A97 PolarHBondContact O-N 3.5Å; A97-R101 PolarHBondContact O-N 3.15Å
98M72.5Confident73.8Confident5 Ų554.6 Ų54.63%0.02530%0.301CS..Hα-helixtrans-70.9-42.6176.1-66.5-173.5-73.100112.8I66 M69 F70 A94 N95 W96 L100 R101 M102I66-M98 HydrophobicContact CB-CG 4.48Å; I66-M98 HydrophobicContact CB-SD 4.44Å; I66-M98 HydrophobicContact CD1-CG 4.38Å; I66-M98 HydrophobicContact CG1-CG 4.01Å; I66-M98 HydrophobicContact CG1-SD 4.44Å; I66-M98 HydrophobicContact CG2-CB 4.03Å; I66-M98 HydrophobicContact CG2-CG 4.08Å; I66-M98 HydrophobicContact CG2-SD 4.11Å; M69-M98 HydrophobicContact CB-CE 4.34Å; M69-M98 HydrophobicContact CB-SD 3.93Å; M69-M98 HydrophobicContact CE-CE 4.03Å; M69-M98 HydrophobicContact CE-CG 4.17Å; M69-M98 HydrophobicContact CE-SD 3.25Å; M69-M98 WeakPolarHBondContact CE-SD 3.48Å; M69-M98 HydrophobicContact SD-CE 4.47Å; M69-M98 HydrophobicContact SD-SD 4.27Å; F70-M98 HydrophobicContact CD2-CB 4.39Å; F70-M98 HydrophobicContact CD2-CE 4.02Å; F70-M98 HydrophobicContact CD2-SD 3.69Å; F70-M98 HydrophobicContact CE2-CB 3.52Å; F70-M98 HydrophobicContact CE2-CE 3.45Å; F70-M98 VanDerWaalsContact CE2-CE 3.45Å; F70-M98 HydrophobicContact CE2-CG 4.13Å; F70-M98 HydrophobicContact CE2-SD 3.48Å; F70-M98 WeakPolarHBondContact CE2-SD 3.42Å; F70-M98 HydrophobicContact CZ-CB 4.35Å; F70-M98 HydrophobicContact CZ-CE 4.08Å; A94-M98 VanDerWaalsContact O-CG 3.26Å; A94-M98 WeakPolarHBondContact O-CG 3.48Å; A94-M98 PolarHBondContact O-N 3.49Å; N95-M98 PolarHBondContact O-N 2.76Å; N95-M98 WeakPolarHBondContact OD1-CE 3.41Å; W96-M98 VanDerWaalsContact C-N 3.26Å; W96-M98 PolarHBondContact O-N 3.4Å; M98-L100 VanDerWaalsContact C-N 3.29Å; M98-L100 PolarHBondContact O-N 3.47Å; M98-R101 PolarHBondContact O-N 3.32Å; M98-R101 VanDerWaalsContact O-N 3.17Å; M98-M102 WeakPolarHBondContact O-CG 3.32Å; M98-M102 PolarHBondContact O-N 2.71Å
99A73.5Confident74.9Confident43 Ų4357.2 Ų57.236%0.35532%0.32SS..Hα-helixtrans-60.3-41.6175.500000111.1N95 W96 R101 M102 C103N95-A99 WeakPolarHBondContact O-CB 3.4Å; N95-A99 PolarHBondContact O-N 3.26Å; W96-A99 PolarHBondContact O-N 2.99Å; A99-R101 PolarHBondContact O-N 3.37Å; A99-M102 WeakPolarHBondContact O-CB 3.41Å; A99-M102 PolarHBondContact O-N 3.01Å; A99-C103 PolarHBondContact O-N 3.25Å; A99-C103 PolarHBondContact O-SG 3.12Å; A99-C103 VanDerWaalsContact O-SG 3.38Å
100L73.5Confident75.7Confident74 Ų7456.6 Ų56.639%0.38731%0.306SS..Hα-helixtrans-57.9-48.3172.9-179.463000111.1W96 M98 M102 C103 E104W96-L100 HydrophobicContact CH2-CD2 3.91Å; W96-L100 HydrophobicContact CZ2-CD2 4.34Å; W96-L100 HydrophobicContact CZ3-CD2 4.23Å; W96-L100 WeakPolarHBondContact O-CB 3.44Å; W96-L100 PolarHBondContact O-N 3.28Å; M98-L100 VanDerWaalsContact C-N 3.29Å; M98-L100 PolarHBondContact O-N 3.47Å; L100-M102 VanDerWaalsContact C-N 3.32Å; L100-M102 PolarHBondContact O-N 3.32Å; L100-C103 WeakPolarHBondContact O-CB 3.25Å; L100-C103 PolarHBondContact O-N 3Å; L100-C103 VanDerWaalsContact O-N 3.12Å; L100-E104 WeakPolarHBondContact O-CG 3.44Å; L100-E104 PolarHBondContact O-N 3.15Å
101R78Confident76.4Confident51 Ų5161.8 Ų61.819%0.19232%0.315CS..Hα-helixtrans-62.9-37.7179.5-172.758.4-177140.77.7112.8E63 I66 A97 M98 A99 C103 E104 V105 E108E63-R101 IonicContact OE1-CZ 3.36Å; E63-R101 IonicContact OE1-NE 3.4Å; E63-R101 PolarHBondContact OE1-NE 2.99Å; E63-R101 IonicContact OE1-NH2 3.02Å; E63-R101 PolarHBondContact OE1-NH2 3.34Å; E63-R101 IonicContact OE2-NE 2.7Å; I66-R101 HydrophobicContact CD1-CB 3.87Å; I66-R101 HydrophobicContact CD1-CG 3.69Å; A97-R101 PolarHBondContact O-N 3.15Å; M98-R101 PolarHBondContact O-N 3.32Å; M98-R101 VanDerWaalsContact O-N 3.17Å; A99-R101 PolarHBondContact O-N 3.37Å; R101-C103 VanDerWaalsContact C-N 3.34Å; R101-E104 VanDerWaalsContact CD-OE2 3.22Å; R101-E104 WeakPolarHBondContact CD-OE2 3.43Å; R101-E104 IonicContact CZ-OE2 2.84Å; R101-E104 IonicContact NE-OE2 2.64Å; R101-E104 IonicContact NH1-OE2 3.81Å; R101-E104 PolarHBondContact NH1-OE2 3.06Å; R101-E104 PolarHBondContact O-N 3.38Å; R101-V105 WeakPolarHBondContact O-CG2 3.45Å; R101-V105 PolarHBondContact O-N 2.8Å; R101-E108 IonicContact NH1-OE1 2.79Å; R101-E108 PolarHBondContact NH1-OE1 3Å
102M79.3Confident77.3Confident6 Ų663.1 Ų63.13%0.0333%0.332CS..Hα-helixtrans-61.7-43.1173.3-71169.853.700111.6V12 V39 L41 V59 V61 F70 M98 A99 L100 V105 A106V12-M102 HydrophobicContact CG1-CE 4.44Å; V39-M102 HydrophobicContact CG1-CB 4.06Å; V39-M102 HydrophobicContact CG1-CE 4.25Å; V39-M102 WeakPolarHBondContact O-CE 3.44Å; L41-M102 HydrophobicContact CD1-CE 4.45Å; L41-M102 HydrophobicContact CD1-SD 3.83Å; L41-M102 HydrophobicContact CD2-CE 4.33Å; L41-M102 HydrophobicContact CD2-CG 3.97Å; L41-M102 HydrophobicContact CD2-SD 4.12Å; L41-M102 HydrophobicContact CG-CE 3.81Å; L41-M102 HydrophobicContact CG-CG 4.28Å; L41-M102 HydrophobicContact CG-SD 3.75Å; V59-M102 HydrophobicContact CG2-CB 4.42Å; V61-M102 HydrophobicContact CG1-CG 3.89Å; F70-M102 HydrophobicContact CE2-SD 4.24Å; F70-M102 HydrophobicContact CZ-SD 4.46Å; M98-M102 WeakPolarHBondContact O-CG 3.32Å; M98-M102 PolarHBondContact O-N 2.71Å; A99-M102 WeakPolarHBondContact O-CB 3.41Å; A99-M102 PolarHBondContact O-N 3.01Å; L100-M102 VanDerWaalsContact C-N 3.32Å; L100-M102 PolarHBondContact O-N 3.32Å; M102-V105 PolarHBondContact O-N 2.81Å; M102-A106 WeakPolarHBondContact O-CB 3.27Å; M102-A106 PolarHBondContact O-N 3.46Å
103C79.5Confident78Confident55 Ų5562.1 Ų62.137%0.37233%0.331SS..Hα-helixtrans-64.2-41.9175.4-71.50000112.2A99 L100 R101 A106 L107A99-C103 PolarHBondContact O-N 3.25Å; A99-C103 PolarHBondContact O-SG 3.12Å; A99-C103 VanDerWaalsContact O-SG 3.38Å; L100-C103 WeakPolarHBondContact O-CB 3.25Å; L100-C103 PolarHBondContact O-N 3Å; L100-C103 VanDerWaalsContact O-N 3.12Å; R101-C103 VanDerWaalsContact C-N 3.34Å; C103-A106 WeakPolarHBondContact O-CB 3.36Å; C103-A106 PolarHBondContact O-N 3.36Å; C103-L107 WeakPolarHBondContact O-CB 3.43Å; C103-L107 VanDerWaalsContact O-CG 3.3Å; C103-L107 WeakPolarHBondContact O-CG 3.22Å; C103-L107 PolarHBondContact O-N 3.05Å
104E82.1Confident78.4Confident80 Ų8062 Ų6237%0.37432%0.32SS..Hα-helixtrans-58.2-51.3174.8-72.1175.2172.500111.4L100 R101 A106 L107 E108L100-E104 WeakPolarHBondContact O-CG 3.44Å; L100-E104 PolarHBondContact O-N 3.15Å; R101-E104 VanDerWaalsContact CD-OE2 3.22Å; R101-E104 WeakPolarHBondContact CD-OE2 3.43Å; R101-E104 IonicContact CZ-OE2 2.84Å; R101-E104 IonicContact NE-OE2 2.64Å; R101-E104 IonicContact NH1-OE2 3.81Å; R101-E104 PolarHBondContact NH1-OE2 3.06Å; R101-E104 PolarHBondContact O-N 3.38Å; E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 2.83Å; E104-L107 CarbonylContact O-C 3.47Å; E104-L107 PolarHBondContact O-N 2.97Å; E104-L107 VanDerWaalsContact O-N 3.08Å; E104-E108 WeakPolarHBondContact O-CG 3.48Å; E104-E108 PolarHBondContact O-N 3.22Å
105V85.5Confident78.5Confident7 Ų765.8 Ų65.84%0.04233%0.332CS..Hα-helixtrans-61.6-39.1178.2172.10000111.4V59 V61 R101 M102 L107 E108 T109V59-V105 HydrophobicContact CB-CG1 4.35Å; V61-V105 HydrophobicContact CG1-CB 4.38Å; V61-V105 HydrophobicContact CG1-CG2 4.15Å; R101-V105 WeakPolarHBondContact O-CG2 3.45Å; R101-V105 PolarHBondContact O-N 2.8Å; M102-V105 PolarHBondContact O-N 2.81Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-E108 PolarHBondContact O-N 3.48Å; V105-T109 HydrophobicContact CG1-CG2 4.47Å; V105-T109 WeakPolarHBondContact O-CB 3.49Å; V105-T109 WeakPolarHBondContact O-CG2 3.15Å; V105-T109 PolarHBondContact O-N 3.32Å; V105-T109 PolarHBondContact O-OG1 3.26Å
106A84.5Confident78.6Confident2 Ų269.1 Ų69.12%0.01735%0.346CS..Hα-helixtrans-59.8-44.6173.500000111.6V39 W57 V59 M102 C103 E104 R110V39-A106 HydrophobicContact CG1-CB 3.96Å; V39-A106 HydrophobicContact CG2-CB 3.84Å; W57-A106 HydrophobicContact CE3-CB 4.02Å; W57-A106 HydrophobicContact CZ3-CB 4.26Å; V59-A106 HydrophobicContact CG1-CB 3.94Å; M102-A106 WeakPolarHBondContact O-CB 3.27Å; M102-A106 PolarHBondContact O-N 3.46Å; C103-A106 WeakPolarHBondContact O-CB 3.36Å; C103-A106 PolarHBondContact O-N 3.36Å; E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 2.83Å; A106-R110 WeakPolarHBondContact O-CA 3.28Å; A106-R110 VanDerWaalsContact O-CB 3.23Å; A106-R110 WeakPolarHBondContact O-CB 3.26Å; A106-R110 PolarHBondContact O-N 3.19Å
107L82.7Confident78.4Confident64 Ų6461.9 Ų61.934%0.33532%0.32SS..Hα-helixtrans-72.3-33.8179.1-69.2174.6000112.7C103 E104 V105 R111 F114C103-L107 WeakPolarHBondContact O-CB 3.43Å; C103-L107 VanDerWaalsContact O-CG 3.3Å; C103-L107 WeakPolarHBondContact O-CG 3.22Å; C103-L107 PolarHBondContact O-N 3.05Å; E104-L107 CarbonylContact O-C 3.47Å; E104-L107 PolarHBondContact O-N 2.97Å; E104-L107 VanDerWaalsContact O-N 3.08Å; V105-L107 VanDerWaalsContact C-N 3.34Å; L107-R111 WeakPolarHBondContact O-CA 3.37Å; L107-R111 VanDerWaalsContact O-CB 3.24Å; L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 PolarHBondContact O-N 2.84Å; L107-F114 HydrophobicContact CD2-CB 3.94Å; L107-F114 HydrophobicContact CD2-CD1 3.45Å; L107-F114 VanDerWaalsContact CD2-CD1 3.45Å; L107-F114 HydrophobicContact CD2-CD2 3.84Å; L107-F114 HydrophobicContact CD2-CE1 3.76Å; L107-F114 HydrophobicContact CD2-CE2 4.15Å; L107-F114 HydrophobicContact CD2-CG 3.46Å; L107-F114 VanDerWaalsContact CD2-CG 3.46Å; L107-F114 HydrophobicContact CD2-CZ 4.09Å
108E88.3Confident77.7Confident130 Ų13064.1 Ų64.161%0.60732%0.32SS*.Hα-helixtrans-64.1-42.9174.2-74.2169.3-16700111.2R101 E104 V105R101-E108 IonicContact NH1-OE1 2.79Å; R101-E108 PolarHBondContact NH1-OE1 3Å; E104-E108 WeakPolarHBondContact O-CG 3.48Å; E104-E108 PolarHBondContact O-N 3.22Å; V105-E108 PolarHBondContact O-N 3.48Å
109T87.4Confident76.5Confident98 Ų9872.4 Ų72.460%0.60136%0.356SS*.Hα-helixtrans-92.6-24.8-172.556.60000113.8V105V105-T109 HydrophobicContact CG1-CG2 4.47Å; V105-T109 WeakPolarHBondContact O-CB 3.49Å; V105-T109 WeakPolarHBondContact O-CG2 3.15Å; V105-T109 PolarHBondContact O-N 3.32Å; V105-T109 PolarHBondContact O-OG1 3.26Å
110R84.4Confident75Confident79 Ų7978 Ų7830%0.29837%0.373SS..Hα-helixtrans-131.224.3-171.6-52.5-166.366.2168.7-3.4113.5W57 A106 A112 D113 F114W57-R110 HydrophobicContact CE3-CB 4.14Å; W57-R110 HydrophobicContact CE3-CG 4.49Å; W57-R110 HydrophobicContact CH2-CB 4.12Å; W57-R110 HydrophobicContact CZ3-CB 3.9Å; A106-R110 WeakPolarHBondContact O-CA 3.28Å; A106-R110 VanDerWaalsContact O-CB 3.23Å; A106-R110 WeakPolarHBondContact O-CB 3.26Å; A106-R110 PolarHBondContact O-N 3.19Å; R110-A112 VanDerWaalsContact C-N 3.27Å; R110-A112 PolarHBondContact O-N 2.93Å; R110-D113 HydrophobicContact CB-CB 4.25Å; R110-D113 IonicContact CZ-OD2 2.85Å; R110-D113 IonicContact NE-OD2 2.64Å; R110-D113 PolarHBondContact NE-OD2 2.91Å; R110-D113 IonicContact NH2-OD2 3.85Å; R110-D113 PolarHBondContact NH2-OD2 3.37Å; R110-D113 WeakPolarHBondContact O-CA 3.42Å; R110-D113 WeakPolarHBondContact O-CB 3.07Å; R110-D113 PolarHBondContact O-N 3.47Å; R110-F114 PolarHBondContact O-N 3.26Å
111R80.9Confident73.7Confident158 Ų15875.2 Ų75.260%0.59636%0.359SS*.Hα-helixtrans-46.3-49.2178.6-173.4172.7-73.6-153.6-3.1113.1L107 D113 F114 E115L107-R111 WeakPolarHBondContact O-CA 3.37Å; L107-R111 VanDerWaalsContact O-CB 3.24Å; L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 PolarHBondContact O-N 2.84Å; R111-D113 VanDerWaalsContact C-N 3.3Å; R111-D113 PolarHBondContact O-N 2.91Å; R111-F114 WeakPolarHBondContact O-CB 3.26Å; R111-F114 PolarHBondContact O-N 3.33Å; R111-F114 VanDerWaalsContact O-N 3.14Å; R111-E115 HydrophobicContact CG-CG 4.35Å; R111-E115 WeakPolarHBondContact CG-OE1 3.41Å; R111-E115 WeakPolarHBondContact O-CG 3.45Å; R111-E115 PolarHBondContact O-N 3.24Å
112A83.1Confident72Confident57 Ų5772.9 Ų72.947%0.47135%0.352SS..Hα-helixtrans-64.1-35.7-178.600000112.3R110 K116R110-A112 VanDerWaalsContact C-N 3.27Å; R110-A112 PolarHBondContact O-N 2.93Å; A112-K116 WeakPolarHBondContact O-CG 3.46Å; A112-K116 PolarHBondContact O-N 3.4Å
113D81Confident70.4Confident55 Ų5575 Ų7529%0.29436%0.363SS..Hα-helixtrans-70.4-38.1174.2-65.4-22.2000111.2W57 R110 R111 K116 L117W57-D113 HydrophobicContact CH2-CB 4.23Å; W57-D113 HydrophobicContact CZ2-CB 3.76Å; R110-D113 HydrophobicContact CB-CB 4.25Å; R110-D113 IonicContact CZ-OD2 2.85Å; R110-D113 IonicContact NE-OD2 2.64Å; R110-D113 PolarHBondContact NE-OD2 2.91Å; R110-D113 IonicContact NH2-OD2 3.85Å; R110-D113 PolarHBondContact NH2-OD2 3.37Å; R110-D113 WeakPolarHBondContact O-CA 3.42Å; R110-D113 WeakPolarHBondContact O-CB 3.07Å; R110-D113 PolarHBondContact O-N 3.47Å; R111-D113 VanDerWaalsContact C-N 3.3Å; R111-D113 PolarHBondContact O-N 2.91Å; D113-K116 WeakPolarHBondContact O-CB 3.5Å; D113-K116 PolarHBondContact O-N 3.48Å; D113-K116 IonicContact OD1-NZ 3.67Å; D113-L117 PolarHBondContact O-N 3.48Å
114F74.5Confident69Low55 Ų5580.2 Ų80.224%0.24139%0.387CS..Hα-helixtrans-59.9-50.2173.7-172-108.2000110.8W37 W57 L107 R110 R111 K116 L117 F118W37-F114 HydrophobicContact CH2-CD2 4.32Å; W37-F114 AromaticContact CH2-CE2 3.87Å; W37-F114 HydrophobicContact CH2-CE2 3.87Å; W37-F114 HydrophobicContact CZ2-CD2 4.01Å; W37-F114 HydrophobicContact CZ2-CE2 4.04Å; W57-F114 HydrophobicContact CH2-CB 3.71Å; W57-F114 HydrophobicContact CH2-CD2 4.07Å; W57-F114 HydrophobicContact CH2-CG 4.41Å; W57-F114 HydrophobicContact CZ3-CB 4.34Å; W57-F114 HydrophobicContact CZ3-CD2 4.38Å; L107-F114 HydrophobicContact CD2-CB 3.94Å; L107-F114 HydrophobicContact CD2-CD1 3.45Å; L107-F114 VanDerWaalsContact CD2-CD1 3.45Å; L107-F114 HydrophobicContact CD2-CD2 3.84Å; L107-F114 HydrophobicContact CD2-CE1 3.76Å; L107-F114 HydrophobicContact CD2-CE2 4.15Å; L107-F114 HydrophobicContact CD2-CG 3.46Å; L107-F114 VanDerWaalsContact CD2-CG 3.46Å; L107-F114 HydrophobicContact CD2-CZ 4.09Å; R110-F114 PolarHBondContact O-N 3.26Å; R111-F114 WeakPolarHBondContact O-CB 3.26Å; R111-F114 PolarHBondContact O-N 3.33Å; R111-F114 VanDerWaalsContact O-N 3.14Å; F114-K116 PolarHBondContact O-N 3.28Å; F114-L117 HydrophobicContact CD2-CD1 4.43Å; F114-L117 WeakPolarHBondContact O-CA 3.36Å; F114-L117 VanDerWaalsContact O-CB 3.25Å; F114-L117 WeakPolarHBondContact O-CB 3.36Å; F114-L117 PolarHBondContact O-N 3.49Å; F114-F118 HydrophobicContact CD1-CD2 4.25Å; F114-F118 AromaticContact CD1-CE2 3.76Å; F114-F118 HydrophobicContact CD1-CE2 3.76Å; F114-F118 HydrophobicContact CD2-CE2 4.34Å; F114-F118 HydrophobicContact CE1-CD2 4.16Å; F114-F118 AromaticContact CE1-CE2 3.27Å; F114-F118 HydrophobicContact CE1-CE2 3.27Å; F114-F118 AromaticContact CE1-CZ 3.92Å; F114-F118 HydrophobicContact CE1-CZ 3.92Å; F114-F118 AromaticContact CE2-CE2 3.91Å; F114-F118 HydrophobicContact CE2-CE2 3.91Å; F114-F118 HydrophobicContact CG-CE2 4.29Å; F114-F118 AromaticContact CZ-CE2 3.37Å; F114-F118 HydrophobicContact CZ-CE2 3.37Å; F114-F118 AromaticContact CZ-CZ 3.8Å; F114-F118 HydrophobicContact CZ-CZ 3.8Å; F114-F118 VanDerWaalsContact O-CD2 3.29Å; F114-F118 WeakPolarHBondContact O-CD2 3.28Å; F114-F118 PolarHBondContact O-N 2.92Å
115E71.6Confident67.3Low105 Ų10580.9 Ų80.949%0.49139%0.393SS..Hα-helixtrans-58.8-36.6175.9-71.8171.3-177.500111.8R111 L117 F118 F119R111-E115 HydrophobicContact CG-CG 4.35Å; R111-E115 WeakPolarHBondContact CG-OE1 3.41Å; R111-E115 WeakPolarHBondContact O-CG 3.45Å; R111-E115 PolarHBondContact O-N 3.24Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 2.91Å; E115-F118 CarbonylContact O-C 3.41Å; E115-F118 WeakPolarHBondContact O-CA 3.42Å; E115-F118 WeakPolarHBondContact O-CB 3.49Å; E115-F118 PolarHBondContact O-N 2.75Å; E115-F119 WeakPolarHBondContact O-CB 3.32Å; E115-F119 PolarHBondContact O-N 3.18Å
116K70.1Confident65.7Low99 Ų9981 Ų8143%0.4339%0.393SS..Hα-helixtrans-67-26172-70.1169.4-168.1165.70113.1A112 D113 F114 F118 F119 F120 S121A112-K116 WeakPolarHBondContact O-CG 3.46Å; A112-K116 PolarHBondContact O-N 3.4Å; D113-K116 WeakPolarHBondContact O-CB 3.5Å; D113-K116 PolarHBondContact O-N 3.48Å; D113-K116 IonicContact OD1-NZ 3.67Å; F114-K116 PolarHBondContact O-N 3.28Å; K116-F118 VanDerWaalsContact C-N 3.27Å; K116-F119 PolarHBondContact O-N 2.73Å; K116-F120 HydrophobicContact CB-CB 4.46Å; K116-F120 HydrophobicContact CB-CD2 4.02Å; K116-F120 HydrophobicContact CG-CD2 3.77Å; K116-F120 HydrophobicContact CG-CE2 4.23Å; K116-F120 WeakPolarHBondContact O-CA 3.26Å; K116-F120 WeakPolarHBondContact O-CB 3.48Å; K116-F120 PolarHBondContact O-N 3.37Å; K116-S121 PolarHBondContact O-N 2.97Å
117L64.3Low64.2Low25 Ų2584.8 Ų84.813%0.13141%0.409CS..Hα-helixtrans-63-40.8168.7-62.9171.7000109.6W37 I55 W57 D113 F114 E115 S121 G122W37-L117 HydrophobicContact CD2-CD1 4.18Å; W37-L117 HydrophobicContact CG-CD1 4.13Å; W37-L117 HydrophobicContact CZ2-CD1 4.33Å; I55-L117 HydrophobicContact CD1-CD2 3.69Å; W57-L117 HydrophobicContact CH2-CD1 4.1Å; W57-L117 HydrophobicContact CZ2-CD1 3.8Å; D113-L117 PolarHBondContact O-N 3.48Å; F114-L117 HydrophobicContact CD2-CD1 4.43Å; F114-L117 WeakPolarHBondContact O-CA 3.36Å; F114-L117 VanDerWaalsContact O-CB 3.25Å; F114-L117 WeakPolarHBondContact O-CB 3.36Å; F114-L117 PolarHBondContact O-N 3.49Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 2.91Å; L117-S121 VanDerWaalsContact C-OG 3.22Å; L117-S121 VanDerWaalsContact CA-OG 3.25Å; L117-S121 WeakPolarHBondContact CA-OG 2.83Å; L117-S121 CarbonylContact O-C 3.41Å; L117-S121 WeakPolarHBondContact O-CB 3.49Å; L117-S121 PolarHBondContact O-N 3.18Å; L117-S121 PolarHBondContact O-OG 3.42Å; L117-G122 PolarHBondContact O-N 3.08Å; L117-G122 VanDerWaalsContact O-N 3.14Å
118F54.5Low62.9Low99 Ų9983.1 Ų83.143%0.43440%0.4SS..Hα-helixtrans-68.1-40173.4-67.7-96.5000112.3F114 E115 K116 G122 L123F114-F118 HydrophobicContact CD1-CD2 4.25Å; F114-F118 AromaticContact CD1-CE2 3.76Å; F114-F118 HydrophobicContact CD1-CE2 3.76Å; F114-F118 HydrophobicContact CD2-CE2 4.34Å; F114-F118 HydrophobicContact CE1-CD2 4.16Å; F114-F118 AromaticContact CE1-CE2 3.27Å; F114-F118 HydrophobicContact CE1-CE2 3.27Å; F114-F118 AromaticContact CE1-CZ 3.92Å; F114-F118 HydrophobicContact CE1-CZ 3.92Å; F114-F118 AromaticContact CE2-CE2 3.91Å; F114-F118 HydrophobicContact CE2-CE2 3.91Å; F114-F118 HydrophobicContact CG-CE2 4.29Å; F114-F118 AromaticContact CZ-CE2 3.37Å; F114-F118 HydrophobicContact CZ-CE2 3.37Å; F114-F118 AromaticContact CZ-CZ 3.8Å; F114-F118 HydrophobicContact CZ-CZ 3.8Å; F114-F118 VanDerWaalsContact O-CD2 3.29Å; F114-F118 WeakPolarHBondContact O-CD2 3.28Å; F114-F118 PolarHBondContact O-N 2.92Å; E115-F118 CarbonylContact O-C 3.41Å; E115-F118 WeakPolarHBondContact O-CA 3.42Å; E115-F118 WeakPolarHBondContact O-CB 3.49Å; E115-F118 PolarHBondContact O-N 2.75Å; K116-F118 VanDerWaalsContact C-N 3.27Å; F118-G122 VanDerWaalsContact O-CA 3.3Å; F118-G122 WeakPolarHBondContact O-CA 3.48Å; F118-L123 HydrophobicContact CD1-CD1 3.44Å; F118-L123 VanDerWaalsContact CD1-CD1 3.44Å; F118-L123 HydrophobicContact CD1-CG 4.22Å; F118-L123 HydrophobicContact CE1-CD1 3.23Å; F118-L123 HydrophobicContact CE1-CG 4.41Å; F118-L123 HydrophobicContact CG-CD1 4.27Å; F118-L123 HydrophobicContact CZ-CD1 3.87Å
119F48.3Very low61.6Low179 Ų17978.4 Ų78.479%0.78538%0.379SS*.Hα-helixtrans-90.6-47.8-169.9-127.8-87.1000115.2E115 K116E115-F119 WeakPolarHBondContact O-CB 3.32Å; E115-F119 PolarHBondContact O-N 3.18Å; K116-F119 PolarHBondContact O-N 2.73Å
120F41.7Very low60.2Low161 Ų16174.2 Ų74.271%0.70635%0.353SS*.THydrogen-bonded Turntrans-96.4-36.9-177.4-80.4-87000113K116K116-F120 HydrophobicContact CB-CB 4.46Å; K116-F120 HydrophobicContact CB-CD2 4.02Å; K116-F120 HydrophobicContact CG-CD2 3.77Å; K116-F120 HydrophobicContact CG-CE2 4.23Å; K116-F120 WeakPolarHBondContact O-CA 3.26Å; K116-F120 WeakPolarHBondContact O-CB 3.48Å; K116-F120 PolarHBondContact O-N 3.37Å
121S45.3Very low58.9Low14 Ų1473.1 Ų73.110%0.09835%0.351CS..THydrogen-bonded Turntrans-77.5-19.7170.291.20000111.4K116 L117 Y126K116-S121 PolarHBondContact O-N 2.97Å; L117-S121 VanDerWaalsContact C-OG 3.22Å; L117-S121 VanDerWaalsContact CA-OG 3.25Å; L117-S121 WeakPolarHBondContact CA-OG 2.83Å; L117-S121 CarbonylContact O-C 3.41Å; L117-S121 WeakPolarHBondContact O-CB 3.49Å; L117-S121 PolarHBondContact O-N 3.18Å; L117-S121 PolarHBondContact O-OG 3.42Å; S121-Y126 VanDerWaalsContact O-CE2 3.26Å; S121-Y126 WeakPolarHBondContact O-CE2 3.37Å; S121-Y126 WeakPolarHBondContact OG-CE2 3.49Å
122G43.3Very low57.6Low3 Ų365.7 Ų65.73%0.03132%0.323CS..THydrogen-bonded Turntrans56.892.6173.900000109.4L117 F118 D124 N125 Y126L117-G122 PolarHBondContact O-N 3.08Å; L117-G122 VanDerWaalsContact O-N 3.14Å; F118-G122 VanDerWaalsContact O-CA 3.3Å; F118-G122 WeakPolarHBondContact O-CA 3.48Å; G122-D124 PolarHBondContact O-N 3.33Å; G122-D124 VanDerWaalsContact O-N 3.1Å; G122-N125 CarbonylContact O-C 3.58Å; G122-N125 VanDerWaalsContact O-CA 3.28Å; G122-N125 WeakPolarHBondContact O-CA 3.17Å; G122-N125 WeakPolarHBondContact O-CB 3.45Å; G122-N125 PolarHBondContact O-N 3.4Å; G122-Y126 WeakPolarHBondContact O-CD2 3.35Å; G122-Y126 PolarHBondContact O-N 3.4Å
123L45.8Very low56.2Low51 Ų5164 Ų6427%0.26731%0.309SS..THydrogen-bonded Turntrans-58.5-20162.5-63.2179.9000110.7L6 F118 Y126 I129L6-L123 HydrophobicContact CD2-CD2 4.19Å; F118-L123 HydrophobicContact CD1-CD1 3.44Å; F118-L123 VanDerWaalsContact CD1-CD1 3.44Å; F118-L123 HydrophobicContact CD1-CG 4.22Å; F118-L123 HydrophobicContact CE1-CD1 3.23Å; F118-L123 HydrophobicContact CE1-CG 4.41Å; F118-L123 HydrophobicContact CG-CD1 4.27Å; F118-L123 HydrophobicContact CZ-CD1 3.87Å; L123-Y126 HydrophobicContact CD2-CD2 3.99Å; L123-I129 HydrophobicContact CB-CD1 4.19Å; L123-I129 HydrophobicContact CD1-CD1 4.37Å; L123-I129 HydrophobicContact CD2-CD1 3.63Å; L123-I129 HydrophobicContact CD2-CG1 4Å; L123-I129 HydrophobicContact CG-CD1 4.26Å
124D49Very low54.8Low163 Ų16362.6 Ų62.687%0.87230%0.3SS*.THydrogen-bonded Turntrans-70.1-27164.1-59.6-26.3000114.5G122G122-D124 PolarHBondContact O-N 3.33Å; G122-D124 VanDerWaalsContact O-N 3.1Å
125N47.9Very low53.5Low95 Ų9565.6 Ų65.651%0.50831%0.314SS..THydrogen-bonded Turntrans-88.3-23.1175.8-70.8-34.8000113.1G122 K127G122-N125 CarbonylContact O-C 3.58Å; G122-N125 VanDerWaalsContact O-CA 3.28Å; G122-N125 WeakPolarHBondContact O-CA 3.17Å; G122-N125 WeakPolarHBondContact O-CB 3.45Å; G122-N125 PolarHBondContact O-N 3.4Å; N125-K127 PolarHBondContact O-N 3.12Å; N125-K127 VanDerWaalsContact O-N 3.15Å
126Y51.1Low52.2Low10 Ų1063.3 Ų63.34%0.03931%0.305CS..  trans-71104.1166.1-73.3-80.5000107.5R4 V5 L6 S35 S121 G122 L123 D128R4-Y126 VanDerWaalsContact C-CD1 3.44Å; R4-Y126 HydrophobicContact CB-CD1 3.54Å; R4-Y126 HydrophobicContact CB-CE1 3.7Å; R4-Y126 HydrophobicContact CB-CG 4.23Å; R4-Y126 WeakPolarHBondContact O-CD1 3.11Å; V5-Y126 VanDerWaalsContact C-CE1 3.49Å; L6-Y126 HydrophobicContact CB-CD1 3.75Å; L6-Y126 HydrophobicContact CB-CE1 3.54Å; L6-Y126 HydrophobicContact CB-CE2 4.35Å; L6-Y126 HydrophobicContact CB-CG 4.29Å; S35-Y126 PolarHBondContact OG-OH 3.47Å; S121-Y126 VanDerWaalsContact O-CE2 3.26Å; S121-Y126 WeakPolarHBondContact O-CE2 3.37Å; S121-Y126 WeakPolarHBondContact OG-CE2 3.49Å; G122-Y126 WeakPolarHBondContact O-CD2 3.35Å; G122-Y126 PolarHBondContact O-N 3.4Å; L123-Y126 HydrophobicContact CD2-CD2 3.99Å; Y126-D128 PolarHBondContact O-N 3.23Å
127K53.2Low50.8Low80 Ų8063.4 Ų63.435%0.34831%0.308SS..SBendtrans-56.7-35.1167.3-74.7-171.7175.7177.90110.6M1 N125 F146 E147 N148M1-K127 PolarHBondContact SD-NZ 2.87Å; N125-K127 PolarHBondContact O-N 3.12Å; N125-K127 VanDerWaalsContact O-N 3.15Å; K127-F146 VanDerWaalsContact O-O 3.1Å; K127-E147 VanDerWaalsContact O-CA 3.29Å; K127-E147 WeakPolarHBondContact O-CA 3.39Å; K127-N148 PolarHBondContact O-N 3.44Å
128D55.8Low49.6Very low30 Ų3072.9 Ų72.916%0.1634%0.342CS..EExtended strand (participates in β ladder)trans-137.8113.5-173.6-58.8-59.3000110.4V5 Y126 V145 F146 E147V5-D128 WeakPolarHBondContact CA-O 3.25Å; V5-D128 HydrophobicContact CG2-CB 4.45Å; Y126-D128 PolarHBondContact O-N 3.23Å; D128-V145 HydrophobicContact CB-CG1 4Å; D128-F146 WeakPolarHBondContact CA-O 3.34Å; D128-E147 WeakPolarHBondContact OD1-CA 3.39Å; D128-E147 WeakPolarHBondContact OD1-CB 3.15Å; D128-E147 VanDerWaalsContact OD1-CG 3.29Å; D128-E147 WeakPolarHBondContact OD1-CG 3.04Å
129I60.9Low48.9Very low30 Ų3069.3 Ų69.315%0.15433%0.333CS..EExtended strand (participates in β ladder)trans-93122.8164-58.4158.5000107.2L6 L123 V145 F146L6-I129 HydrophobicContact CB-CG2 4.48Å; L123-I129 HydrophobicContact CB-CD1 4.19Å; L123-I129 HydrophobicContact CD1-CD1 4.37Å; L123-I129 HydrophobicContact CD2-CD1 3.63Å; L123-I129 HydrophobicContact CD2-CG1 4Å; L123-I129 HydrophobicContact CG-CD1 4.26Å; I129-V145 CarbonylContact O-C 3.57Å; I129-V145 WeakPolarHBondContact O-CA 3.37Å; I129-F146 HydrophobicContact CB-CB 4.02Å; I129-F146 HydrophobicContact CB-CD2 3.89Å; I129-F146 HydrophobicContact CB-CG 4.32Å; I129-F146 HydrophobicContact CD1-CB 4.3Å; I129-F146 HydrophobicContact CD1-CG 4.49Å; I129-F146 HydrophobicContact CG1-CB 4.47Å; I129-F146 HydrophobicContact CG2-CD2 4.21Å; I129-F146 PolarHBondContact N-O 3.39Å; I129-F146 PolarHBondContact O-N 3.34Å
130V57Low48.5Very low10 Ų1063.8 Ų63.86%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-11086.7-178.2-173.50000108.8V5 L6 F7 I132 V143 Y144 V145V5-V130 HydrophobicContact CG1-CB 3.95Å; V5-V130 HydrophobicContact CG1-CG2 3.53Å; L6-V130 CarbonylContact O-C 3.51Å; L6-V130 PolarHBondContact O-N 2.64Å; L6-V130 VanDerWaalsContact O-O 3.09Å; F7-V130 WeakPolarHBondContact CA-O 3.5Å; F7-V130 HydrophobicContact CD1-CB 4.11Å; F7-V130 HydrophobicContact CD1-CG1 4.04Å; F7-V130 HydrophobicContact CE1-CB 3.9Å; F7-V130 HydrophobicContact CE1-CG1 3.55Å; F7-V130 HydrophobicContact CZ-CG1 4.44Å; V130-I132 HydrophobicContact CG1-CD1 4.14Å; V130-I132 HydrophobicContact CG1-CG1 3.88Å; V130-I132 PolarHBondContact O-N 2.79Å; V130-V143 HydrophobicContact CG1-CG1 3.34Å; V130-Y144 CarbonylContact C-O 3.56Å; V130-Y144 WeakPolarHBondContact CA-O 3.45Å; V130-V145 HydrophobicContact CG1-CG2 4.28Å; V130-V145 HydrophobicContact CG2-CG1 4.19Å; V130-V145 HydrophobicContact CG2-CG2 4.09Å
131H57.7Low48.5Very low57 Ų5756.9 Ų56.926%0.26428%0.282SS..EExtended strand (participates in β ladder)trans-76.4121.7170.4171.2-113.7000108.4V8 V143 Y144V8-H131 PolarHBondContact O-CD2 3.14Å; V8-H131 VanDerWaalsContact O-CD2 3.26Å; H131-V143 CarbonylContact O-C 3.53Å; H131-V143 WeakPolarHBondContact O-CA 3.4Å; H131-Y144 HydrophobicContact CB-CD2 4.22Å; H131-Y144 AromaticContact CE1-CD2 4Å; H131-Y144 AromaticContact CE1-CE2 3.99Å; H131-Y144 AromaticContact CG-CD2 3.96Å; H131-Y144 PolarHBondContact N-O 3.3Å; H131-Y144 AromaticContact ND1-CD2 3.07Å; H131-Y144 WeakPolarHBondContact ND1-CD2 3.46Å; H131-Y144 AromaticContact ND1-CE2 3.49Å; H131-Y144 WeakPolarHBondContact ND1-CE2 3.23Å; H131-Y144 AromaticContact ND1-CG 3.96Å; H131-Y144 WeakPolarHBondContact O-CD2 3.25Å; H131-Y144 PolarHBondContact O-N 2.84Å
132I54.1Low48.4Very low1 Ų156.4 Ų56.41%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-109.4103.8177.3-63.7-163.2000107.1F7 V8 S10 M20 L23 V130 F134 L141 V143F7-I132 HydrophobicContact CD1-CD1 3.77Å; F7-I132 HydrophobicContact CD1-CG1 3.94Å; F7-I132 HydrophobicContact CE1-CD1 3.36Å; F7-I132 HydrophobicContact CE1-CG1 3.95Å; F7-I132 HydrophobicContact CZ-CD1 4.45Å; V8-I132 PolarHBondContact O-N 3.34Å; V8-I132 VanDerWaalsContact O-N 3.14Å; S10-I132 PolarHBondContact N-O 2.64Å; S10-I132 VanDerWaalsContact N-O 3.1Å; M20-I132 HydrophobicContact CE-CB 4.05Å; M20-I132 HydrophobicContact CE-CG1 4.48Å; M20-I132 HydrophobicContact CG-CB 4.03Å; M20-I132 HydrophobicContact CG-CD1 3.92Å; M20-I132 HydrophobicContact CG-CG1 4.43Å; M20-I132 HydrophobicContact CG-CG2 3.93Å; M20-I132 HydrophobicContact SD-CB 3.94Å; M20-I132 HydrophobicContact SD-CG2 4.14Å; L23-I132 HydrophobicContact CD2-CD1 3.8Å; V130-I132 HydrophobicContact CG1-CD1 4.14Å; V130-I132 HydrophobicContact CG1-CG1 3.88Å; V130-I132 PolarHBondContact O-N 2.79Å; I132-F134 HydrophobicContact CG2-CD2 4.01Å; I132-F134 HydrophobicContact CG2-CE2 3.47Å; I132-F134 VanDerWaalsContact CG2-CE2 3.47Å; I132-F134 HydrophobicContact CG2-CZ 4.11Å; I132-L141 HydrophobicContact CG2-CD1 3.16Å; I132-L141 HydrophobicContact CG2-CG 4.11Å; I132-V143 HydrophobicContact CD1-CG1 4.26Å; I132-V143 HydrophobicContact CD1-CG2 3.93Å; I132-V143 HydrophobicContact CG1-CB 4.37Å; I132-V143 HydrophobicContact CG1-CG1 4.04Å; I132-V143 HydrophobicContact CG1-CG2 3.96Å; I132-V143 HydrophobicContact CG2-CG2 4.38Å
133S53.1Low48.5Very low23 Ų2357.2 Ų57.216%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-94.5132.6169-166.70000110.5S10 L141 S142S10-S133 VanDerWaalsContact CB-OG 3.28Å; S10-S133 WeakPolarHBondContact CB-OG 3.34Å; S10-S133 WeakPolarHBondContact OG-CA 3.14Å; S10-S133 PolarHBondContact OG-OG 3.14Å; S133-L141 CarbonylContact O-C 3.57Å; S133-S142 PolarHBondContact N-O 3.29Å; S133-S142 PolarHBondContact O-N 2.87Å
134F50.7Low48.6Very low25 Ų2557.4 Ų57.411%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-102.5124.4161.2-65.4-102.4000106.8S10 H16 I19 M20 I132 D140 L141S10-F134 PolarHBondContact OG-N 2.71Å; S10-F134 PolarHBondContact OG-O 2.7Å; H16-F134 HydrophobicContact CB-CD2 3.5Å; H16-F134 VanDerWaalsContact CB-CD2 3.5Å; H16-F134 HydrophobicContact CB-CE1 4.49Å; H16-F134 HydrophobicContact CB-CE2 3.36Å; H16-F134 HydrophobicContact CB-CG 4.16Å; H16-F134 HydrophobicContact CB-CZ 3.91Å; H16-F134 AromaticContact CD2-CD1 3.39Å; H16-F134 WeakPolarHBondContact CD2-CD1 3.29Å; H16-F134 AromaticContact CD2-CD2 3.65Å; H16-F134 AromaticContact CD2-CE1 3.73Å; H16-F134 AromaticContact CD2-CG 3.34Å; H16-F134 WeakPolarHBondContact CD2-CG 3.1Å; H16-F134 WeakPolarHBondContact CE1-CB 3.35Å; H16-F134 AromaticContact CE1-CD2 3.98Å; H16-F134 AromaticContact CE1-CG 3.54Å; H16-F134 AromaticContact CG-CD1 3.9Å; H16-F134 AromaticContact CG-CD2 3.22Å; H16-F134 AromaticContact CG-CE2 3.59Å; H16-F134 AromaticContact CG-CG 3.4Å; H16-F134 VanDerWaalsContact CG-CG 3.4Å; H16-F134 WeakPolarHBondContact ND1-CB 3.46Å; H16-F134 AromaticContact ND1-CD2 3.42Å; H16-F134 WeakPolarHBondContact ND1-CD2 3.44Å; H16-F134 AromaticContact ND1-CG 3.49Å; H16-F134 WeakPolarHBondContact ND1-CG 3.29Å; H16-F134 VanDerWaalsContact NE2-CB 3.35Å; H16-F134 WeakPolarHBondContact NE2-CB 3.39Å; H16-F134 AromaticContact NE2-CD1 3.64Å; H16-F134 AromaticContact NE2-CG 3.45Å; H16-F134 WeakPolarHBondContact NE2-CG 3.22Å; I19-F134 HydrophobicContact CB-CZ 3.98Å; I19-F134 HydrophobicContact CD1-CE1 3.66Å; I19-F134 HydrophobicContact CD1-CZ 4Å; I19-F134 HydrophobicContact CG2-CE1 4.48Å; I19-F134 HydrophobicContact CG2-CZ 4.03Å; M20-F134 HydrophobicContact CG-CE2 4.22Å; M20-F134 HydrophobicContact SD-CE2 4.27Å; I132-F134 HydrophobicContact CG2-CD2 4.01Å; I132-F134 HydrophobicContact CG2-CE2 3.47Å; I132-F134 VanDerWaalsContact CG2-CE2 3.47Å; I132-F134 HydrophobicContact CG2-CZ 4.11Å; F134-D140 WeakPolarHBondContact CA-O 3.25Å; F134-L141 HydrophobicContact CD1-CD1 3.7Å; F134-L141 HydrophobicContact CD2-CD1 3.93Å; F134-L141 HydrophobicContact CE1-CD1 3.33Å; F134-L141 HydrophobicContact CE2-CD1 3.56Å; F134-L141 HydrophobicContact CG-CD1 4Å; F134-L141 HydrophobicContact CZ-CD1 3.24Å
135E47.1Very low48.5Very low117 Ų11750.6 Ų50.655%0.54725%0.245SC..EExtended strand (participates in β ladder)trans-99122.8164.8-150.3169.817800107.4D140E135-D140 HydrophobicContact CB-CB 4.46Å; E135-D140 PolarHBondContact N-O 2.91Å
136D44.3Very low48.6Very low57 Ų5750.1 Ų50.131%0.30524%0.239SC..THydrogen-bonded Turntrans-83.3150.4175.657.21.6000109.6K92K92-D136 WeakPolarHBondContact CE-O 3.48Å; K92-D136 VanDerWaalsContact CE-OD1 3.25Å; K92-D136 WeakPolarHBondContact CE-OD1 3.42Å; K92-D136 PolarHBondContact NZ-O 2.92Å; K92-D136 IonicContact NZ-OD1 3.81Å
137E40.5Very low48.4Very low102 Ų10252.9 Ų52.948%0.47725%0.252SS..THydrogen-bonded Turncis-109.6-10.436.9-67.1-164.1119.100118.6E88 R91E88-E137 HydrophobicContact CG-CG 4.42Å; R91-E137 IonicContact CZ-OE1 3.91Å; R91-E137 IonicContact NH2-OE1 3.8Å; R91-E137 PolarHBondContact NH2-OE1 3.12Å
138W39.5Very low48.2Very low223 Ų22354.7 Ų54.785%0.84527%0.265SS*.THydrogen-bonded Turntrans-151.661.8175-68.892.7000113.5
139G39.5Very low47.9Very low24 Ų2459.8 Ų59.825%0.24730%0.303CS..THydrogen-bonded Turntrans104.627.1148.400000118.8L141 F158G139-L141 PolarHBondContact O-N 2.86Å; G139-L141 VanDerWaalsContact O-N 3.12Å; G139-F158 WeakPolarHBondContact CA-O 3.41Å; G139-F158 PolarHBondContact O-N 3.43Å
140D40Very low46.9Very low64 Ų6460.7 Ų60.734%0.34231%0.312SS..EExtended strand (participates in β ladder)trans-81.598.1168.7-80.6-8.5000110.5F134 E135 S142 N157F134-D140 WeakPolarHBondContact CA-O 3.25Å; E135-D140 HydrophobicContact CB-CB 4.46Å; E135-D140 PolarHBondContact N-O 2.91Å; D140-S142 PolarHBondContact O-N 2.96Å; D140-N157 PolarHBondContact OD1-OD1 3.18Å; D140-N157 VanDerWaalsContact OD1-OD1 3.06Å
141L41.5Very low46.1Very low15 Ų1565.7 Ų65.78%0.07933%0.333CS..EExtended strand (participates in β ladder)trans-81.3106.1165.7-172.271.7000108.6I132 S133 F134 G139 V143 K156 F158I132-L141 HydrophobicContact CG2-CD1 3.16Å; I132-L141 HydrophobicContact CG2-CG 4.11Å; S133-L141 CarbonylContact O-C 3.57Å; F134-L141 HydrophobicContact CD1-CD1 3.7Å; F134-L141 HydrophobicContact CD2-CD1 3.93Å; F134-L141 HydrophobicContact CE1-CD1 3.33Å; F134-L141 HydrophobicContact CE2-CD1 3.56Å; F134-L141 HydrophobicContact CG-CD1 4Å; F134-L141 HydrophobicContact CZ-CD1 3.24Å; G139-L141 PolarHBondContact O-N 2.86Å; G139-L141 VanDerWaalsContact O-N 3.12Å; L141-V143 HydrophobicContact CD1-CG2 4.45Å; L141-V143 HydrophobicContact CD2-CG2 3.58Å; L141-V143 HydrophobicContact CG-CG2 3.69Å; L141-K156 WeakPolarHBondContact CB-O 3.35Å; L141-K156 PolarHBondContact N-O 3.37Å; L141-K156 VanDerWaalsContact N-O 3.15Å; L141-K156 PolarHBondContact O-N 3.09Å; L141-F158 HydrophobicContact CB-CD2 3.95Å; L141-F158 HydrophobicContact CB-CE2 3.89Å; L141-F158 HydrophobicContact CD2-CE2 3.71Å; L141-F158 HydrophobicContact CG-CE2 4.41Å
142S44.7Very low45.3Very low5 Ų567 Ų674%0.03534%0.338CS..EExtended strand (participates in β ladder)trans-95.9100.9168-61.70000109.4S133 D140 Y144 H155S133-S142 PolarHBondContact N-O 3.29Å; S133-S142 PolarHBondContact O-N 2.87Å; D140-S142 PolarHBondContact O-N 2.96Å; S142-Y144 VanDerWaalsContact CB-CE2 3.46Å; S142-Y144 WeakPolarHBondContact O-CD2 3.29Å; S142-H155 PolarHBondContact OG-CE1 3.11Å; S142-H155 PolarHBondContact OG-ND1 2.85Å
143V45.2Very low44.6Very low20 Ų2069.5 Ų69.512%0.12135%0.353CS..EExtended strand (participates in β ladder)trans-92105171.6-177.10000108V130 H131 I132 L141 V145 F154V130-V143 HydrophobicContact CG1-CG1 3.34Å; H131-V143 CarbonylContact O-C 3.53Å; H131-V143 WeakPolarHBondContact O-CA 3.4Å; I132-V143 HydrophobicContact CD1-CG1 4.26Å; I132-V143 HydrophobicContact CD1-CG2 3.93Å; I132-V143 HydrophobicContact CG1-CB 4.37Å; I132-V143 HydrophobicContact CG1-CG1 4.04Å; I132-V143 HydrophobicContact CG1-CG2 3.96Å; I132-V143 HydrophobicContact CG2-CG2 4.38Å; L141-V143 HydrophobicContact CD1-CG2 4.45Å; L141-V143 HydrophobicContact CD2-CG2 3.58Å; L141-V143 HydrophobicContact CG-CG2 3.69Å; V143-V145 HydrophobicContact CG1-CG2 3.96Å; V143-F154 HydrophobicContact CB-CB 4.22Å; V143-F154 PolarHBondContact N-O 3.24Å; V143-F154 PolarHBondContact O-N 3.44Å
144Y47.5Very low44.2Very low54 Ų5473.6 Ų73.621%0.21237%0.369CS..EExtended strand (participates in β ladder)trans-90.5114173.7-53.3-90.7000108.8V130 H131 S142 F151 V153V130-Y144 CarbonylContact C-O 3.56Å; V130-Y144 WeakPolarHBondContact CA-O 3.45Å; H131-Y144 HydrophobicContact CB-CD2 4.22Å; H131-Y144 AromaticContact CE1-CD2 4Å; H131-Y144 AromaticContact CE1-CE2 3.99Å; H131-Y144 AromaticContact CG-CD2 3.96Å; H131-Y144 PolarHBondContact N-O 3.3Å; H131-Y144 AromaticContact ND1-CD2 3.07Å; H131-Y144 WeakPolarHBondContact ND1-CD2 3.46Å; H131-Y144 AromaticContact ND1-CE2 3.49Å; H131-Y144 WeakPolarHBondContact ND1-CE2 3.23Å; H131-Y144 AromaticContact ND1-CG 3.96Å; H131-Y144 WeakPolarHBondContact O-CD2 3.25Å; H131-Y144 PolarHBondContact O-N 2.84Å; S142-Y144 VanDerWaalsContact CB-CE2 3.46Å; S142-Y144 WeakPolarHBondContact O-CD2 3.29Å; Y144-F151 HydrophobicContact CD1-CE1 4.34Å; Y144-F151 AromaticContact CD1-CE2 3.51Å; Y144-F151 HydrophobicContact CD1-CE2 3.51Å; Y144-F151 AromaticContact CD1-CZ 3.29Å; Y144-F151 HydrophobicContact CD1-CZ 3.29Å; Y144-F151 HydrophobicContact CE1-CE2 4.39Å; Y144-F151 AromaticContact CE1-CZ 3.79Å; Y144-F151 HydrophobicContact CE1-CZ 3.79Å; Y144-F151 HydrophobicContact CG-CE2 4.15Å; Y144-F151 HydrophobicContact CG-CZ 4.34Å; Y144-V153 HydrophobicContact CD1-CB 4.21Å; Y144-V153 HydrophobicContact CD1-CG1 3.67Å; Y144-V153 HydrophobicContact CD1-CG2 3.76Å; Y144-V153 HydrophobicContact CE1-CB 4.36Å; Y144-V153 HydrophobicContact CE1-CG1 3.52Å; Y144-V153 HydrophobicContact CE1-CG2 3.94Å
145V48Very low43.4Very low21 Ų2178.1 Ų78.113%0.12739%0.39CS..EExtended strand (participates in β ladder)trans-105.6118.7174.9-1720000108.6D128 I129 V130 V143 K152 F154D128-V145 HydrophobicContact CB-CG1 4Å; I129-V145 CarbonylContact O-C 3.57Å; I129-V145 WeakPolarHBondContact O-CA 3.37Å; V130-V145 HydrophobicContact CG1-CG2 4.28Å; V130-V145 HydrophobicContact CG2-CG1 4.19Å; V130-V145 HydrophobicContact CG2-CG2 4.09Å; V143-V145 HydrophobicContact CG1-CG2 3.96Å; V145-K152 PolarHBondContact N-O 2.84Å; V145-K152 PolarHBondContact O-N 2.88Å; V145-F154 HydrophobicContact CB-CD2 4.35Å; V145-F154 HydrophobicContact CB-CE2 3.95Å; V145-F154 HydrophobicContact CG2-CD2 3.72Å; V145-F154 HydrophobicContact CG2-CE2 3.64Å
146F48.2Very low42.8Very low85 Ų8578.5 Ų78.537%0.37339%0.39SS..EExtended strand (participates in β ladder)trans-91.994.7169.3-67.4-97.8000108.9K127 D128 I129 S150 F151K127-F146 VanDerWaalsContact O-O 3.1Å; D128-F146 WeakPolarHBondContact CA-O 3.34Å; I129-F146 HydrophobicContact CB-CB 4.02Å; I129-F146 HydrophobicContact CB-CD2 3.89Å; I129-F146 HydrophobicContact CB-CG 4.32Å; I129-F146 HydrophobicContact CD1-CB 4.3Å; I129-F146 HydrophobicContact CD1-CG 4.49Å; I129-F146 HydrophobicContact CG1-CB 4.47Å; I129-F146 HydrophobicContact CG2-CD2 4.21Å; I129-F146 PolarHBondContact N-O 3.39Å; I129-F146 PolarHBondContact O-N 3.34Å; F146-S150 CarbonylContact C-O 3.46Å; F146-S150 WeakPolarHBondContact CA-O 3.39Å; F146-F151 HydrophobicContact CD1-CB 4.47Å; F146-F151 AromaticContact CD1-CD2 3.99Å; F146-F151 HydrophobicContact CD1-CD2 3.99Å; F146-F151 HydrophobicContact CD2-CD2 4.46Å; F146-F151 HydrophobicContact CE1-CB 4.41Å; F146-F151 AromaticContact CE1-CD2 3.48Å; F146-F151 HydrophobicContact CE1-CD2 3.48Å; F146-F151 VanDerWaalsContact CE1-CD2 3.48Å; F146-F151 HydrophobicContact CE1-CE2 4.13Å; F146-F151 HydrophobicContact CE1-CG 4.36Å; F146-F151 AromaticContact CE2-CD2 4Å; F146-F151 HydrophobicContact CE2-CD2 4Å; F146-F151 HydrophobicContact CE2-CE2 4.09Å; F146-F151 HydrophobicContact CG-CD2 4.46Å; F146-F151 AromaticContact CZ-CD2 3.48Å; F146-F151 HydrophobicContact CZ-CD2 3.48Å; F146-F151 VanDerWaalsContact CZ-CD2 3.48Å; F146-F151 AromaticContact CZ-CE2 3.67Å; F146-F151 HydrophobicContact CZ-CE2 3.67Å
147E47.6Very low42Very low68 Ų6880.6 Ų80.632%0.31840%0.401SS..EExtended strand (participates in β ladder)trans-99.8118.3178.6-178.3178.1-166.300110K127 D128 S149 S150 K152K127-E147 VanDerWaalsContact O-CA 3.29Å; K127-E147 WeakPolarHBondContact O-CA 3.39Å; D128-E147 WeakPolarHBondContact OD1-CA 3.39Å; D128-E147 WeakPolarHBondContact OD1-CB 3.15Å; D128-E147 VanDerWaalsContact OD1-CG 3.29Å; D128-E147 WeakPolarHBondContact OD1-CG 3.04Å; E147-S149 PolarHBondContact O-N 2.98Å; E147-S150 PolarHBondContact N-O 3.47Å; E147-S150 WeakPolarHBondContact O-CA 3.33Å; E147-S150 WeakPolarHBondContact O-CB 3.41Å; E147-S150 PolarHBondContact O-N 3Å; E147-S150 PolarHBondContact O-OG 3Å; E147-K152 IonicContact OE2-NZ 3.16Å; E147-K152 PolarHBondContact OE2-NZ 2.95Å
148N49.7Very low41.2Very low118 Ų11880 Ų8063%0.63140%0.397SS*.THydrogen-bonded Turntrans4751.9173.5-64.1-41.7000114.2K127 S150K127-N148 PolarHBondContact O-N 3.44Å; N148-S150 PolarHBondContact O-N 3.37Å; N148-S150 VanDerWaalsContact O-N 3.14Å
149S49.4Very low40.6Very low137 Ų13777.9 Ų77.996%0.95841%0.414SS*.THydrogen-bonded Turntrans65.34.3-174.9-48.50000116E147E147-S149 PolarHBondContact O-N 2.98Å
150S39.3Very low40.7Very low49 Ų4980.6 Ų80.634%0.34342%0.422SS..EExtended strand (participates in β ladder)trans-99.7125.8172.374.40000110.5F146 E147 N148F146-S150 CarbonylContact C-O 3.46Å; F146-S150 WeakPolarHBondContact CA-O 3.39Å; E147-S150 PolarHBondContact N-O 3.47Å; E147-S150 WeakPolarHBondContact O-CA 3.33Å; E147-S150 WeakPolarHBondContact O-CB 3.41Å; E147-S150 PolarHBondContact O-N 3Å; E147-S150 PolarHBondContact O-OG 3Å; N148-S150 PolarHBondContact O-N 3.37Å; N148-S150 VanDerWaalsContact O-N 3.14Å
151F39.7Very low40.7Very low114 Ų11481.4 Ų81.450%0.543%0.426SS..EExtended strand (participates in β ladder)trans-85.9118.5175.7177-109.4000109.3Y144 F146 V153Y144-F151 HydrophobicContact CD1-CE1 4.34Å; Y144-F151 AromaticContact CD1-CE2 3.51Å; Y144-F151 HydrophobicContact CD1-CE2 3.51Å; Y144-F151 AromaticContact CD1-CZ 3.29Å; Y144-F151 HydrophobicContact CD1-CZ 3.29Å; Y144-F151 HydrophobicContact CE1-CE2 4.39Å; Y144-F151 AromaticContact CE1-CZ 3.79Å; Y144-F151 HydrophobicContact CE1-CZ 3.79Å; Y144-F151 HydrophobicContact CG-CE2 4.15Å; Y144-F151 HydrophobicContact CG-CZ 4.34Å; F146-F151 HydrophobicContact CD1-CB 4.47Å; F146-F151 AromaticContact CD1-CD2 3.99Å; F146-F151 HydrophobicContact CD1-CD2 3.99Å; F146-F151 HydrophobicContact CD2-CD2 4.46Å; F146-F151 HydrophobicContact CE1-CB 4.41Å; F146-F151 AromaticContact CE1-CD2 3.48Å; F146-F151 HydrophobicContact CE1-CD2 3.48Å; F146-F151 VanDerWaalsContact CE1-CD2 3.48Å; F146-F151 HydrophobicContact CE1-CE2 4.13Å; F146-F151 HydrophobicContact CE1-CG 4.36Å; F146-F151 AromaticContact CE2-CD2 4Å; F146-F151 HydrophobicContact CE2-CD2 4Å; F146-F151 HydrophobicContact CE2-CE2 4.09Å; F146-F151 HydrophobicContact CG-CD2 4.46Å; F146-F151 AromaticContact CZ-CD2 3.48Å; F146-F151 HydrophobicContact CZ-CD2 3.48Å; F146-F151 VanDerWaalsContact CZ-CD2 3.48Å; F146-F151 AromaticContact CZ-CE2 3.67Å; F146-F151 HydrophobicContact CZ-CE2 3.67Å; F151-V153 HydrophobicContact CD1-CG2 3.8Å; F151-V153 HydrophobicContact CE1-CG2 3.1Å; F151-V153 HydrophobicContact CE2-CG2 4.35Å; F151-V153 HydrophobicContact CZ-CG2 3.47Å; F151-V153 VanDerWaalsContact CZ-CG2 3.47Å
152K41.5Very low40.7Very low84 Ų8485.1 Ų85.137%0.36545%0.446SS..EExtended strand (participates in β ladder)trans-116.6121.9173.5-67179.4-177.6170.60109V145 E147 F154V145-K152 PolarHBondContact N-O 2.84Å; V145-K152 PolarHBondContact O-N 2.88Å; E147-K152 IonicContact OE2-NZ 3.16Å; E147-K152 PolarHBondContact OE2-NZ 2.95Å; K152-F154 HydrophobicContact CB-CD2 4.39Å; K152-F154 HydrophobicContact CB-CE2 3.7Å; K152-F154 HydrophobicContact CB-CZ 4.21Å; K152-F154 HydrophobicContact CD-CE2 4.46Å; K152-F154 HydrophobicContact CD-CZ 4.3Å
153V39.4Very low40.5Very low54 Ų5489.8 Ų89.833%0.32747%0.47SS..EExtended strand (participates in β ladder)trans-96.9121.4171.8-163.30000108.4Y144 F151 H155Y144-V153 HydrophobicContact CD1-CB 4.21Å; Y144-V153 HydrophobicContact CD1-CG1 3.67Å; Y144-V153 HydrophobicContact CD1-CG2 3.76Å; Y144-V153 HydrophobicContact CE1-CB 4.36Å; Y144-V153 HydrophobicContact CE1-CG1 3.52Å; Y144-V153 HydrophobicContact CE1-CG2 3.94Å; F151-V153 HydrophobicContact CD1-CG2 3.8Å; F151-V153 HydrophobicContact CE1-CG2 3.1Å; F151-V153 HydrophobicContact CE2-CG2 4.35Å; F151-V153 HydrophobicContact CZ-CG2 3.47Å; F151-V153 VanDerWaalsContact CZ-CG2 3.47Å; V153-H155 WeakPolarHBondContact CG1-NE2 3.35Å
154F45.7Very low40.2Very low109 Ų10994.2 Ų94.248%0.47849%0.492SS..EExtended strand (participates in β ladder)trans-104.8103.1167.9-60.3-91.8000107.2V143 V145 K152V143-F154 HydrophobicContact CB-CB 4.22Å; V143-F154 PolarHBondContact N-O 3.24Å; V143-F154 PolarHBondContact O-N 3.44Å; V145-F154 HydrophobicContact CB-CD2 4.35Å; V145-F154 HydrophobicContact CB-CE2 3.95Å; V145-F154 HydrophobicContact CG2-CD2 3.72Å; V145-F154 HydrophobicContact CG2-CE2 3.64Å; K152-F154 HydrophobicContact CB-CD2 4.39Å; K152-F154 HydrophobicContact CB-CE2 3.7Å; K152-F154 HydrophobicContact CB-CZ 4.21Å; K152-F154 HydrophobicContact CD-CE2 4.46Å; K152-F154 HydrophobicContact CD-CZ 4.3Å
155H32.4Very low39.7Very low120 Ų12096.9 Ų96.956%0.55651%0.51SS*.EExtended strand (participates in β ladder)trans-83.2123.5165.7-65-76.4000107.9S142 V153S142-H155 PolarHBondContact OG-CE1 3.11Å; S142-H155 PolarHBondContact OG-ND1 2.85Å; V153-H155 WeakPolarHBondContact CG1-NE2 3.35Å
156K35.5Very low39.1Very low125 Ų125102.3 Ų102.354%0.54354%0.538SS..EExtended strand (participates in β ladder)trans-123.2107.9165.5-170.7172.9-178.6-178.90108.4L141 F158L141-K156 WeakPolarHBondContact CB-O 3.35Å; L141-K156 PolarHBondContact N-O 3.37Å; L141-K156 VanDerWaalsContact N-O 3.15Å; L141-K156 PolarHBondContact O-N 3.09Å; K156-F158 HydrophobicContact CB-CE2 4.28Å; K156-F158 HydrophobicContact CD-CE2 3.85Å; K156-F158 HydrophobicContact CD-CZ 3.85Å; K156-F158 HydrophobicContact CG-CD2 4.31Å; K156-F158 HydrophobicContact CG-CE2 3.99Å; K156-F158 HydrophobicContact CG-CZ 4.42Å; K156-F158 PolarHBondContact O-N 3.44Å
157N26.7Very low38.4Very low102 Ų102103.6 Ų103.655%0.54555%0.55SS.*EExtended strand (participates in β ladder)trans-70.4114.8169.6-58.217.1000106.9D140D140-N157 PolarHBondContact OD1-OD1 3.18Å; D140-N157 VanDerWaalsContact OD1-OD1 3.06Å
158F25.1Very low37.6Very low90 Ų90106.6 Ų106.640%0.39557%0.57SS.*  trans-89.598.9162.3-74.7-92000106.5G139 L141 K156G139-F158 WeakPolarHBondContact CA-O 3.41Å; G139-F158 PolarHBondContact O-N 3.43Å; L141-F158 HydrophobicContact CB-CD2 3.95Å; L141-F158 HydrophobicContact CB-CE2 3.89Å; L141-F158 HydrophobicContact CD2-CE2 3.71Å; L141-F158 HydrophobicContact CG-CE2 4.41Å; K156-F158 HydrophobicContact CB-CE2 4.28Å; K156-F158 HydrophobicContact CD-CE2 3.85Å; K156-F158 HydrophobicContact CD-CZ 3.85Å; K156-F158 HydrophobicContact CG-CD2 4.31Å; K156-F158 HydrophobicContact CG-CE2 3.99Å; K156-F158 HydrophobicContact CG-CZ 4.42Å; K156-F158 PolarHBondContact O-N 3.44Å
159C27.2Very low36.5Very low177 Ų177105.5 Ų105.5100%1.19656%0.564SS**  trans105.50-177.6-61.30000114.2

Retrieved 159 of 159 residues in 295.8 ms (Link to these results)

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