A0A060VCV9_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCV9, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 206 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
1M38.5Very low43.9Very low248 Ų248149.6 Ų149.6100%1.22284%0.836SS**  0143.90-88.7176.4-10600108.8
2A35.6Very low43.8Very low104 Ų104147 Ų14786%0.8682%0.817SS**  trans-69.1155.7-154.800000116.1
3V38.2Very low44.3Very low133 Ų133147.7 Ų147.781%0.80682%0.817SS**  trans-58.4144.4171.5174.10000112.2
4M35.9Very low44.4Very low179 Ų179145.2 Ų145.288%0.88282%0.815SS**  trans-158.793.2140.1-125.9172.456.900111.8
5A45.6Very low44.4Very low79 Ų79141.3 Ų141.365%0.65382%0.821SS**  trans-80.2132.8157.900000108.6R7A5-R7 PolarHBondContact O-N 3.26Å
6P47Very low44.7Very low127 Ų127137.9 Ų137.983%0.82581%0.814SS**  trans-82.9103.31711.716.3000110.2
7R49.5Very low44.7Very low224 Ų224139.8 Ų139.885%0.84582%0.818SS**  trans25.7105.9133.4-67.7178.7166.7124-2.7118.5A5A5-R7 PolarHBondContact O-N 3.26Å
8T45.3Very low44.9Very low128 Ų128135.8 Ų135.879%0.78580%0.804SS**  0125.3126.234.40000117.6
9L48.3Very low44.6Very low150 Ų150137.5 Ų137.579%0.78581%0.808SS**  -169120.9107.5-127.591.6000110.9L11L9-L11 PolarHBondContact O-N 3.39Å
10V48.9Very low44.6Very low114 Ų114135.5 Ų135.569%0.69180%0.798SS**  trans-62.3119.3159.81670000107.8L12V10-L12 HydrophobicContact CG1-CD1 3.96Å; V10-L12 HydrophobicContact CG1-CG 3.68Å
11L50.4Low44.5Very low160 Ų160134.4 Ų134.484%0.83879%0.785SS**  trans-108.598.4157.3-90.8163000107.6L9L9-L11 PolarHBondContact O-N 3.39Å
12L43.1Very low44.9Very low118 Ų118127.2 Ų127.262%0.61876%0.755SS**  trans-55.8142.9166.4-72.7138.4000110.5V10V10-L12 HydrophobicContact CG1-CD1 3.96Å; V10-L12 HydrophobicContact CG1-CG 3.68Å
13L49.6Very low45.9Very low156 Ų156125.3 Ų125.382%0.81773%0.726SS**  trans42.787.5136.8-62161.3000115.6
14S46.5Very low46.9Very low113 Ų113122.9 Ų122.979%0.7972%0.72SS**  trans-141.836.8163.6-52.50000111.9
15G43.5Very low49Very low87 Ų87115.6 Ų115.690%0.89769%0.691SS**SBendtrans-105.4-3.3165.100000113.3
16A50.2Low51.2Low86 Ų86116 Ų11671%0.71169%0.689SS**SBendtrans-123.673.9-178.600000109.3
17L44.5Very low53.5Low170 Ų170110.8 Ų110.889%0.8965%0.653SS**SBendtrans175.599.4166.2-93.8158.1000103.9
18A47.4Very low55.8Low68 Ų68101.3 Ų101.356%0.56262%0.621SS**  cis-149119.925.600000109.6T20A18-T20 HydrophobicContact CB-CG2 3.99Å; A18-T20 PolarHBondContact O-N 3.12Å
19L40.4Very low58.4Low168 Ų16895.2 Ų95.288%0.8858%0.584SS**  trans-65.774.1135.1-86154.3000105.7Q21L19-Q21 PolarHBondContact O-N 2.69Å
20T43.3Very low60.8Low98 Ų9890.5 Ų90.560%0.60156%0.556SS**  trans-63.590.5139.844.60000102.4A18 T22A18-T20 HydrophobicContact CB-CG2 3.99Å; A18-T20 PolarHBondContact O-N 3.12Å; T20-T22 PolarHBondContact O-N 2.68Å
21Q42.6Very low63.1Low112 Ų11285.4 Ų85.452%0.52352%0.524SS..  trans-59.280.5154-14117212.800103L19 W23L19-Q21 PolarHBondContact O-N 2.69Å; Q21-W23 VanDerWaalsContact O-CD1 3.24Å; Q21-W23 PolarHBondContact O-N 2.91Å
22T46.5Very low65.4Low98 Ų9881.8 Ų81.860%0.60150%0.502SS*.  trans-58.9124.1167.350.10000102.5T20 A24T20-T22 PolarHBondContact O-N 2.68Å; T22-A24 WeakPolarHBondContact O-CB 3.49Å; T22-A24 PolarHBondContact O-N 2.89Å
23W58.2Low68.1Low63 Ų6376.5 Ų76.524%0.23947%0.474CS..  trans-70.479.7-175.4-56.953000105.7Q21 G25 W131 L196 E197Q21-W23 VanDerWaalsContact O-CD1 3.24Å; Q21-W23 PolarHBondContact O-N 2.91Å; W23-G25 VanDerWaalsContact C-N 3.31Å; W23-G25 PolarHBondContact O-N 3.5Å; W23-W131 HydrophobicContact CB-CH2 4.46Å; W23-W131 HydrophobicContact CB-CZ2 3.48Å; W23-W131 VanDerWaalsContact CB-CZ2 3.48Å; W23-W131 AromaticContact CD2-CE2 3.95Å; W23-W131 HydrophobicContact CD2-CH2 4.05Å; W23-W131 AromaticContact CD2-CZ2 3.23Å; W23-W131 HydrophobicContact CD2-CZ2 3.23Å; W23-W131 AromaticContact CE3-CE2 3.93Å; W23-W131 AromaticContact CE3-CH2 3.23Å; W23-W131 HydrophobicContact CE3-CH2 3.23Å; W23-W131 AromaticContact CE3-CZ2 2.9Å; W23-W131 HydrophobicContact CE3-CZ2 2.9Å; W23-W131 HydrophobicContact CE3-CZ3 4.47Å; W23-W131 AromaticContact CG-CZ2 3.55Å; W23-W131 HydrophobicContact CG-CZ2 3.55Å; W23-W131 HydrophobicContact CH2-CZ2 4.36Å; W23-W131 AromaticContact CZ3-CH2 3.52Å; W23-W131 HydrophobicContact CZ3-CH2 3.52Å; W23-W131 AromaticContact CZ3-CZ2 3.5Å; W23-W131 HydrophobicContact CZ3-CZ2 3.5Å; W23-W131 HydrophobicContact CZ3-CZ3 4.48Å; W23-L196 HydrophobicContact CZ3-CB 3.97Å; W23-E197 HydrophobicContact CH2-CB 4.49Å; W23-E197 WeakPolarHBondContact CH2-OE2 3.35Å; W23-E197 WeakPolarHBondContact CZ2-OE2 3.48Å
24A58.3Low70.4Confident83 Ų8370.9 Ų70.969%0.68645%0.446SS*.  trans-84.780.7-160.200000108.2T22T22-A24 WeakPolarHBondContact O-CB 3.49Å; T22-A24 PolarHBondContact O-N 2.89Å
25G79.3Confident72.9Confident26 Ų2665.5 Ų65.527%0.26841%0.408SS..SBendtrans172.9152.9176.900000112W23 S129W23-G25 VanDerWaalsContact C-N 3.31Å; W23-G25 PolarHBondContact O-N 3.5Å; G25-S129 WeakPolarHBondContact O-CA 3.45Å
26S92.3Very high75.5Confident88 Ų8863.5 Ų63.562%0.61538%0.379SS*.  trans-74.7142.1159.752.90000109.1V127S26-V127 CarbonylContact C-O 3.59Å; S26-V127 WeakPolarHBondContact CA-O 3.43Å; S26-V127 WeakPolarHBondContact CB-O 3.41Å
27H95.6Very high77.8Confident17 Ų1760.4 Ų60.48%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-119.7159175.9-65.6-80.1000110.9D53 D126 V127 W131 L192 L196H27-D53 WeakPolarHBondContact CA-OD1 3.29Å; H27-D53 IonicContact CE1-OD2 3.28Å; H27-D53 IonicContact CG-OD1 3.6Å; H27-D53 IonicContact CG-OD2 3.49Å; H27-D53 IonicContact ND1-OD1 2.8Å; H27-D53 IonicContact ND1-OD2 3.95Å; H27-D53 PolarHBondContact ND1-OD2 2.92Å; H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.06Å; H27-V127 HydrophobicContact CB-CG2 3.88Å; H27-V127 PolarHBondContact N-O 2.84Å; H27-V127 PolarHBondContact O-N 2.94Å; H27-W131 AromaticContact CD2-CH2 3.6Å; H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L192 HydrophobicContact CB-CD2 4.38Å; H27-L196 HydrophobicContact CB-CD1 3.57Å; H27-L196 HydrophobicContact CB-CD2 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.36Å
28S97.9Very high80.3Confident25 Ų2555.4 Ų55.418%0.17532%0.321CS..EExtended strand (participates in β ladder)trans-136.1151178.666.70000112.4V52 D53 C125 D126S28-V52 CarbonylContact O-C 3.43Å; S28-V52 WeakPolarHBondContact O-CA 3.2Å; S28-D53 PolarHBondContact N-OD1 3.22Å; S28-D53 PolarHBondContact O-N 2.78Å; S28-C125 WeakPolarHBondContact CA-O 3.47Å; S28-D126 VanDerWaalsContact CB-OD1 3.25Å; S28-D126 WeakPolarHBondContact CB-OD1 3.37Å
29M98.7Very high82.4Confident0 Ų054.7 Ų54.70%031%0.31CS..EExtended strand (participates in β ladder)trans-124.2127.6165.8-169.8168.158.400108.7Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195M29-Y31 HydrophobicContact CE-CE2 4.24Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.45Å; M29-V52 HydrophobicContact CG-CG2 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.46Å; M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.37Å; M29-C125 PolarHBondContact N-O 2.85Å; M29-C125 PolarHBondContact O-N 3.22Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.44Å; M29-C188 WeakPolarHBondContact CE-SG 3.33Å; M29-W191 HydrophobicContact CE-CB 4.11Å; M29-W191 HydrophobicContact SD-CB 4.45Å; M29-L192 HydrophobicContact CB-CB 4.15Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.19Å; M29-L192 HydrophobicContact CB-CG 4.34Å; M29-L192 HydrophobicContact CE-CB 4.46Å; M29-L192 HydrophobicContact SD-CB 4.5Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å
30R98.8Very high84.8Confident50 Ų5051 Ų5119%0.18931%0.313CS..EExtended strand (participates in β ladder)trans-133.5135.1-179-60.8-66.1177.186.29.4111.4F32 G50 Y51 D126 Y137R30-F32 HydrophobicContact CB-CD2 4.38Å; R30-F32 HydrophobicContact CB-CE2 3.56Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-G50 CarbonylContact O-C 3.52Å; R30-G50 WeakPolarHBondContact O-CA 3.25Å; R30-Y51 PolarHBondContact N-O 3.34Å; R30-Y51 PolarHBondContact O-N 3.31Å; R30-D126 IonicContact CZ-OD1 3.83Å; R30-D126 IonicContact NE-OD1 3.98Å; R30-D126 PolarHBondContact NE-OD1 2.72Å; R30-D126 IonicContact NH2-OD1 3.6Å; R30-D126 PolarHBondContact NH2-OD1 3Å; R30-D126 IonicContact NH2-OD2 2.81Å; R30-D126 PolarHBondContact NH2-OD2 2.83Å; R30-Y137 VanDerWaalsContact CZ-CE2 3.44Å; R30-Y137 PolarHBondContact NH2-OH 2.96Å; R30-Y137 VanDerWaalsContact NH2-OH 3.11Å
31Y98.9Very high87.1Confident8 Ų856.6 Ų56.63%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-112.9137.3168.6-70.5-90.6000110M29 Y33 V49 F57 V58 M122 Y123M29-Y31 HydrophobicContact CE-CE2 4.24Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; Y31-Y33 HydrophobicContact CD1-CE1 4.32Å; Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.38Å; Y31-F57 HydrophobicContact CE1-CZ 4.18Å; Y31-F57 AromaticContact CZ-CZ 3.85Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.45Å; Y31-V58 HydrophobicContact CE1-CG2 4.04Å; Y31-M122 WeakPolarHBondContact O-CA 3.46Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.48Å; Y31-Y123 HydrophobicContact CD2-CD2 4.42Å; Y31-Y123 AromaticContact CD2-CE2 3.64Å; Y31-Y123 HydrophobicContact CD2-CE2 3.64Å; Y31-Y123 AromaticContact CD2-CZ 3.83Å; Y31-Y123 HydrophobicContact CE2-CE2 4.44Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.04Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.1Å; Y31-Y123 PolarHBondContact O-N 3.09Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å
32F98.9Very high89.4Confident84 Ų8454.2 Ų54.237%0.36833%0.328SS..EExtended strand (participates in β ladder)trans-124.3117.5177.8-57.7-96.4000109.4R30 A48 V49 Y51 R121 M122R30-F32 HydrophobicContact CB-CD2 4.38Å; R30-F32 HydrophobicContact CB-CE2 3.56Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-A48 WeakPolarHBondContact O-CA 3.46Å; F32-V49 HydrophobicContact CB-CG2 3.81Å; F32-V49 HydrophobicContact CD2-CG2 4.26Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 3.35Å; F32-V49 PolarHBondContact O-N 2.84Å; F32-Y51 AromaticContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CE2 4.37Å; F32-Y51 AromaticContact CE2-CD2 3.96Å; F32-Y51 HydrophobicContact CE2-CD2 3.96Å; F32-R121 WeakPolarHBondContact CA-O 3.26Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.18Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.41Å; F32-M122 HydrophobicContact CZ-CG 3.99Å
33Y98.8Very high91.7Very high7 Ų754 Ų543%0.02732%0.321CS..EExtended strand (participates in β ladder)trans-108.9134.4176.5-59.6-14.1000109.3Y31 F46 I47 A48 H94 Q120 R121 Y123Y31-Y33 HydrophobicContact CD1-CE1 4.32Å; Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 AromaticContact CD2-CZ 3.92Å; Y33-F46 HydrophobicContact CD2-CZ 3.92Å; Y33-F46 HydrophobicContact CG-CE2 4.41Å; Y33-F46 AromaticContact CG-CZ 3.76Å; Y33-F46 HydrophobicContact CG-CZ 3.76Å; Y33-I47 CarbonylContact C-O 3.54Å; Y33-I47 WeakPolarHBondContact CA-O 3.36Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.33Å; Y33-A48 HydrophobicContact CG-CB 4.31Å; Y33-H94 AromaticContact CD2-CD2 3.91Å; Y33-H94 HydrophobicContact CE2-CB 4.24Å; Y33-H94 AromaticContact CE2-CD2 3.36Å; Y33-H94 WeakPolarHBondContact CE2-CD2 3.43Å; Y33-H94 AromaticContact CE2-CG 3.96Å; Y33-Q120 CarbonylContact O-C 3.53Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.48Å; Y33-R121 PolarHBondContact N-O 2.83Å; Y33-R121 PolarHBondContact O-N 2.87Å; Y33-Y123 HydrophobicContact CD2-CE1 4.1Å; Y33-Y123 HydrophobicContact CE1-CE1 4.25Å; Y33-Y123 AromaticContact CE2-CE1 3.51Å; Y33-Y123 HydrophobicContact CE2-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CE1 3.64Å; Y33-Y123 AromaticContact CZ-CZ 3.95Å; Y33-Y123 PolarHBondContact OH-OH 2.84Å
34T98.8Very high93.5Very high37 Ų3752 Ų5223%0.22732%0.316CS..EExtended strand (participates in β ladder)trans-130.9124.5176.2-58.70000108.5V36 F46 I47 T118 Q120T34-V36 HydrophobicContact CG2-CG2 4.03Å; T34-F46 WeakPolarHBondContact O-CA 3.12Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 3.04Å; T34-T118 HydrophobicContact CG2-CG2 3.97Å; T34-Q120 HydrophobicContact CG2-CG 4.09Å
35S98.7Very high95.4Very high1 Ų152.3 Ų52.31%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-118.5124.6173.5-166.10000109.3R45 L102 T118 L119S35-R45 CarbonylContact C-O 3.6Å; S35-R45 VanDerWaalsContact CA-O 3.26Å; S35-R45 WeakPolarHBondContact CA-O 3.49Å; S35-L102 VanDerWaalsContact OG-CD1 3.24Å; S35-L102 WeakPolarHBondContact OG-CD1 3.43Å; S35-T118 CarbonylContact O-C 3.46Å; S35-T118 WeakPolarHBondContact O-CA 3.12Å; S35-L119 PolarHBondContact N-O 2.91Å; S35-L119 PolarHBondContact O-N 2.84Å
36V98.5Very high96.4Very high45 Ų4551 Ų5127%0.27329%0.286SS..EExtended strand (participates in β ladder)trans-117.9115.6-179.3-175.30000108.8T34 P44 R45 H117 T118T34-V36 HydrophobicContact CG2-CG2 4.03Å; V36-P44 CarbonylContact O-C 3.58Å; V36-P44 WeakPolarHBondContact O-CA 3.28Å; V36-P44 WeakPolarHBondContact O-CB 3.36Å; V36-R45 PolarHBondContact N-O 3.26Å; V36-R45 PolarHBondContact O-N 2.8Å; V36-H117 WeakPolarHBondContact CA-O 3.42Å; V36-T118 HydrophobicContact CG2-CG2 4.16Å
37S97.9Very high96.7Very high20 Ų2048.6 Ų48.614%0.1427%0.266CS..  trans-69.7143.5174.875.20000110.7S116 H117S37-S116 WeakPolarHBondContact O-CB 3.19Å; S37-S116 PolarHBondContact O-OG 3.45Å; S37-H117 PolarHBondContact N-O 2.82Å; S37-H117 PolarHBondContact OG-N 2.83Å; S37-H117 PolarHBondContact OG-O 3.26Å
38R96.2Very high96.8Very high66 Ų6647.8 Ų47.825%0.24926%0.262CS..  trans-133.575.6-175.7-57.9178.6-73.2-166.6-9.5110.4G40 R41 E43 D63R38-G40 PolarHBondContact O-N 3.12Å; R38-R41 HydrophobicContact CB-CB 4.01Å; R38-R41 PolarHBondContact O-N 2.94Å; R38-E43 PolarHBondContact NE-O 3.22Å; R38-E43 VanDerWaalsContact NE-O 3.11Å; R38-E43 PolarHBondContact NH2-O 2.94Å; R38-D63 IonicContact CZ-OD1 3.46Å; R38-D63 IonicContact CZ-OD2 3.58Å; R38-D63 IonicContact NH1-OD1 2.8Å; R38-D63 PolarHBondContact NH1-OD1 2.9Å; R38-D63 IonicContact NH1-OD2 3.35Å; R38-D63 PolarHBondContact NH1-OD2 2.99Å; R38-D63 IonicContact NH2-OD1 3.2Å; R38-D63 PolarHBondContact NH2-OD1 2.79Å; R38-D63 IonicContact NH2-OD2 2.88Å
39P91.9Very high96.9Very high52 Ų5247.6 Ų47.634%0.33826%0.26SS..THydrogen-bonded Turntrans-49.8130.1-178.8-26.734.4000111.9R41 E113 G115P39-R41 PolarHBondContact O-N 3.34Å; P39-E113 WeakPolarHBondContact CB-O 3.35Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-G115 WeakPolarHBondContact CG-O 3.44Å
40G91.1Very high96.9Very high90 Ų9047.6 Ų47.693%0.92826%0.26SS*.THydrogen-bonded Turntrans72.22.6-178.300000115.9R38R38-G40 PolarHBondContact O-N 3.12Å
41R92Very high96.9Very high216 Ų21648.6 Ų48.682%0.81526%0.264SS*.SBendtrans-124.423.6-179.4-56.3-175.7179.5-160.7-0.3113.4R38 P39R38-R41 HydrophobicContact CB-CB 4.01Å; R38-R41 PolarHBondContact O-N 2.94Å; P39-R41 PolarHBondContact O-N 3.34Å
42G90.9Very high96.9Very high62 Ų6248.2 Ų48.264%0.63926%0.263SS*.SBendtrans89.7-154.6177.700000113.9
43E93.9Very high96.7Very high94 Ų9446 Ų4644%0.43926%0.255SS..SBendtrans-67.6154.1-175.5-64.3-6316400112.6R38 R45 R99R38-E43 PolarHBondContact NE-O 3.22Å; R38-E43 VanDerWaalsContact NE-O 3.11Å; R38-E43 PolarHBondContact NH2-O 2.94Å; E43-R45 PolarHBondContact O-N 3.04Å; E43-R99 IonicContact OE1-CZ 3.45Å; E43-R99 IonicContact OE1-NE 2.75Å; E43-R99 IonicContact OE1-NH1 2.68Å; E43-R99 PolarHBondContact OE1-NH1 3.02Å; E43-R99 IonicContact OE1-NH2 3.61Å; E43-R99 PolarHBondContact OE1-NH2 2.9Å; E43-R99 WeakPolarHBondContact OE2-CD 3.44Å; E43-R99 IonicContact OE2-CZ 3.53Å; E43-R99 IonicContact OE2-NE 3.51Å; E43-R99 PolarHBondContact OE2-NE 3Å; E43-R99 VanDerWaalsContact OE2-NE 3.15Å; E43-R99 IonicContact OE2-NH1 3.7Å; E43-R99 PolarHBondContact OE2-NH1 3.42Å; E43-R99 IonicContact OE2-NH2 2.77Å; E43-R99 PolarHBondContact OE2-NH2 3.45Å
44P97.1Very high96.5Very high21 Ų2153.2 Ų53.214%0.13629%0.294CS..PPolyproline II helixtrans-52.8139172.5-25.334.6000112.1V36 F46 R99 L102V36-P44 CarbonylContact O-C 3.58Å; V36-P44 WeakPolarHBondContact O-CA 3.28Å; V36-P44 WeakPolarHBondContact O-CB 3.36Å; P44-F46 PolarHBondContact O-N 3.33Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.34Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.73Å
45R98.3Very high96.4Very high89 Ų8954.2 Ų54.234%0.33630%0.3SS..EExtended strand (participates in β ladder)trans-75.2126.6170.9-173177179.5-176.3-2.2108.3S35 V36 E43 I47 D61 D63S35-R45 CarbonylContact C-O 3.6Å; S35-R45 VanDerWaalsContact CA-O 3.26Å; S35-R45 WeakPolarHBondContact CA-O 3.49Å; V36-R45 PolarHBondContact N-O 3.26Å; V36-R45 PolarHBondContact O-N 2.8Å; E43-R45 PolarHBondContact O-N 3.04Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; R45-D61 IonicContact CZ-OD1 3.61Å; R45-D61 IonicContact CZ-OD2 3.78Å; R45-D61 IonicContact NE-OD1 3.98Å; R45-D61 PolarHBondContact NE-OD1 3.18Å; R45-D61 VanDerWaalsContact NE-OD1 3.09Å; R45-D61 IonicContact NE-OD2 3.74Å; R45-D61 IonicContact NH2-OD1 3.62Å; R45-D61 IonicContact NH2-OD2 3.47Å; R45-D61 PolarHBondContact NH2-OD2 2.83Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 IonicContact NE-OD2 2.72Å
46F98.8Very high96.4Very high0 Ų056.7 Ų56.70%031%0.311CS..EExtended strand (participates in β ladder)trans-114.3124.9176.5-176-86.7000110.5Y33 T34 P44 A48 F60 S62 V91 H94 S95 H98Y33-F46 HydrophobicContact CD1-CZ 4.28Å; Y33-F46 AromaticContact CD2-CZ 3.92Å; Y33-F46 HydrophobicContact CD2-CZ 3.92Å; Y33-F46 HydrophobicContact CG-CE2 4.41Å; Y33-F46 AromaticContact CG-CZ 3.76Å; Y33-F46 HydrophobicContact CG-CZ 3.76Å; T34-F46 WeakPolarHBondContact O-CA 3.12Å; P44-F46 PolarHBondContact O-N 3.33Å; F46-A48 HydrophobicContact CE1-CB 3.78Å; F46-A48 HydrophobicContact CZ-CB 4.37Å; F46-F60 AromaticContact CD1-CD1 3.88Å; F46-F60 HydrophobicContact CD1-CD1 3.88Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.3Å; F46-S62 PolarHBondContact N-OG 2.9Å; F46-S62 PolarHBondContact O-N 3.01Å; F46-S62 PolarHBondContact O-OG 3.41Å; F46-V91 HydrophobicContact CD1-CG2 4.35Å; F46-V91 HydrophobicContact CE1-CG2 3.54Å; F46-V91 HydrophobicContact CZ-CG2 4.39Å; F46-H94 HydrophobicContact CZ-CB 4.11Å; F46-S95 WeakPolarHBondContact CB-OG 3.33Å; F46-H98 HydrophobicContact CD2-CB 4.06Å; F46-H98 HydrophobicContact CE2-CB 4.07Å; F46-H98 AromaticContact CE2-CE1 3.93Å; F46-H98 AromaticContact CE2-CG 3.67Å; F46-H98 AromaticContact CE2-ND1 3.55Å
47I98.8Very high96.4Very high36 Ų3654.5 Ų54.519%0.18530%0.298CS..EExtended strand (participates in β ladder)trans-120.9134175-59.7172.9000108Y33 T34 R45 V49 F60Y33-I47 CarbonylContact C-O 3.54Å; Y33-I47 WeakPolarHBondContact CA-O 3.36Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 3.04Å; R45-I47 HydrophobicContact CG-CG1 4.36Å; I47-V49 HydrophobicContact CG2-CG1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.2Å
48A98.8Very high96.4Very high1 Ų153.6 Ų53.61%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-125.8136.5169.900000110F32 Y33 F46 R59 F60 V91F32-A48 WeakPolarHBondContact O-CA 3.46Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.33Å; Y33-A48 HydrophobicContact CG-CB 4.31Å; F46-A48 HydrophobicContact CE1-CB 3.78Å; F46-A48 HydrophobicContact CZ-CB 4.37Å; A48-R59 CarbonylContact O-C 3.56Å; A48-R59 WeakPolarHBondContact O-CA 3.49Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 3.13Å; A48-F60 PolarHBondContact O-N 3.04Å; A48-V91 HydrophobicContact CB-CG2 3.56Å
49V98.9Very high96.5Very high21 Ų2153.5 Ų53.513%0.12729%0.292CS..EExtended strand (participates in β ladder)trans-133.8145.8173.5-63.10000109.8Y31 F32 I47 Y51 Q56 V58 R59Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.38Å; F32-V49 HydrophobicContact CB-CG2 3.81Å; F32-V49 HydrophobicContact CD2-CG2 4.26Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 3.35Å; F32-V49 PolarHBondContact O-N 2.84Å; I47-V49 HydrophobicContact CG2-CG1 4.28Å; V49-Y51 HydrophobicContact CB-CE2 4.25Å; V49-Y51 HydrophobicContact CG2-CD2 4.43Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.32Å; V49-V58 WeakPolarHBondContact CA-O 3.41Å; V49-R59 HydrophobicContact CG1-CB 4.44Å; V49-R59 HydrophobicContact CG1-CG 4.11Å
50G98.8Very high96.9Very high0 Ų051.2 Ų51.20%028%0.276CS..EExtended strand (participates in β ladder)trans-122.1140.6176.800000110.7R30 Q56 F57 V58R30-G50 CarbonylContact O-C 3.52Å; R30-G50 WeakPolarHBondContact O-CA 3.25Å; G50-Q56 WeakPolarHBondContact O-CA 3.39Å; G50-Q56 WeakPolarHBondContact O-CG 3.37Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 2.72Å; G50-V58 PolarHBondContact N-O 3Å; G50-V58 VanDerWaalsContact N-O 3.12Å
51Y98.8Very high97.2Very high71 Ų7148 Ų4828%0.27824%0.237SC..EExtended strand (participates in β ladder)trans-124.6138.7178.4-75.8-99.9000110.2M29 R30 F32 V49 T55 Q56M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.45Å; R30-Y51 PolarHBondContact N-O 3.34Å; R30-Y51 PolarHBondContact O-N 3.31Å; F32-Y51 AromaticContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CE2 4.37Å; F32-Y51 AromaticContact CE2-CD2 3.96Å; F32-Y51 HydrophobicContact CE2-CD2 3.96Å; V49-Y51 HydrophobicContact CB-CE2 4.25Å; V49-Y51 HydrophobicContact CG2-CD2 4.43Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD2-CG 4.48Å; Y51-Q56 HydrophobicContact CE1-CB 3.59Å; Y51-Q56 HydrophobicContact CE1-CG 4.31Å; Y51-Q56 HydrophobicContact CE2-CB 4.2Å; Y51-Q56 HydrophobicContact CE2-CG 4.02Å
52V98.1Very high97.5Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-111119.8158.5173.10000105.8S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203S28-V52 CarbonylContact O-C 3.43Å; S28-V52 WeakPolarHBondContact O-CA 3.2Å; M29-V52 HydrophobicContact CG-CG2 4.44Å; V52-D54 PolarHBondContact O-N 3.12Å; V52-T55 PolarHBondContact N-O 3.02Å; V52-T55 WeakPolarHBondContact O-CB 3.17Å; V52-T55 PolarHBondContact O-N 3.31Å; V52-F57 HydrophobicContact CG2-CD1 3.88Å; V52-F57 HydrophobicContact CG2-CE1 3.91Å; V52-F57 HydrophobicContact CG2-CG 4.47Å; V52-W75 HydrophobicContact CB-CH2 4.29Å; V52-W75 HydrophobicContact CB-CZ2 4.35Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.73Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V52-Y195 HydrophobicContact CG2-CD2 3.88Å; V52-Y195 HydrophobicContact CG2-CG 4.33Å; V52-L196 HydrophobicContact CG1-CD2 3.84Å; V52-L196 HydrophobicContact CG1-CG 4.13Å; V52-L203 HydrophobicContact CB-CD1 4.43Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å
53D95.5Very high97.8Very high36 Ų3639.1 Ų39.119%0.19319%0.193CC..THydrogen-bonded Turntrans48.7-128.3-164.4-56-36.4000109.9H27 S28 T55H27-D53 WeakPolarHBondContact CA-OD1 3.29Å; H27-D53 IonicContact CE1-OD2 3.28Å; H27-D53 IonicContact CG-OD1 3.6Å; H27-D53 IonicContact CG-OD2 3.49Å; H27-D53 IonicContact ND1-OD1 2.8Å; H27-D53 IonicContact ND1-OD2 3.95Å; H27-D53 PolarHBondContact ND1-OD2 2.92Å; S28-D53 PolarHBondContact N-OD1 3.22Å; S28-D53 PolarHBondContact O-N 2.78Å; D53-T55 VanDerWaalsContact C-N 3.32Å
54D94.6Very high98Very high160 Ų16036.1 Ų36.186%0.85619%0.185SC*.THydrogen-bonded Turntrans-90.98.7177.9-61.9-51.2000113.4V52V52-D54 PolarHBondContact O-N 3.12Å
55T96.8Very high98Very high57 Ų5740.6 Ų40.635%0.3522%0.223SC..EExtended strand (participates in β ladder)trans-101.2114.6-176.7-58.50000111.6Y51 V52 D53 F57 A73 L203Y51-T55 WeakPolarHBondContact CA-O 3.33Å; V52-T55 PolarHBondContact N-O 3.02Å; V52-T55 WeakPolarHBondContact O-CB 3.17Å; V52-T55 PolarHBondContact O-N 3.31Å; D53-T55 VanDerWaalsContact C-N 3.32Å; T55-F57 PolarHBondContact O-N 2.83Å; T55-A73 HydrophobicContact CG2-CB 4.39Å; T55-L203 HydrophobicContact CG2-CD2 3.99Å; T55-L203 WeakPolarHBondContact OG1-CD2 3.43Å
56Q98.3Very high97.8Very high53 Ų5339.1 Ų39.125%0.24823%0.226CC..EExtended strand (participates in β ladder)trans-67.3123.9172-167.1-175.7-12.300110.2V49 G50 Y51 V58 R72V49-Q56 VanDerWaalsContact CG1-NE2 3.32Å; G50-Q56 WeakPolarHBondContact O-CA 3.39Å; G50-Q56 WeakPolarHBondContact O-CG 3.37Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD2-CG 4.48Å; Y51-Q56 HydrophobicContact CE1-CB 3.59Å; Y51-Q56 HydrophobicContact CE1-CG 4.31Å; Y51-Q56 HydrophobicContact CE2-CB 4.2Å; Y51-Q56 HydrophobicContact CE2-CG 4.02Å; Q56-V58 PolarHBondContact NE2-O 2.91Å; Q56-R72 HydrophobicContact CG-CB 4.27Å; Q56-R72 HydrophobicContact CG-CG 4.5Å; Q56-R72 CarbonylContact O-C 3.6Å
57F98.4Very high97.7Very high0 Ų046.1 Ų46.10%025%0.253CS..EExtended strand (participates in β ladder)trans-115.4-21.7-177.676.7-82.3000114.2M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195M29-F57 HydrophobicContact SD-CZ 4.46Å; Y31-F57 HydrophobicContact CE1-CZ 4.18Å; Y31-F57 AromaticContact CZ-CZ 3.85Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.45Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 2.72Å; V52-F57 HydrophobicContact CG2-CD1 3.88Å; V52-F57 HydrophobicContact CG2-CE1 3.91Å; V52-F57 HydrophobicContact CG2-CG 4.47Å; T55-F57 PolarHBondContact O-N 2.83Å; F57-R72 PolarHBondContact O-N 3.49Å; F57-A73 HydrophobicContact CB-CB 4.23Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.31Å; F57-W75 HydrophobicContact CB-CZ3 4.1Å; F57-W75 HydrophobicContact CD1-CH2 4.18Å; F57-W75 AromaticContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CZ3 4.08Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.28Å; F57-I76 HydrophobicContact CD2-CB 4.41Å; F57-I76 HydrophobicContact CD2-CD1 3.93Å; F57-I76 HydrophobicContact CD2-CG1 3.98Å; F57-I76 HydrophobicContact CE2-CD1 4.23Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.07Å; F57-Y195 AromaticContact CE2-CE2 3.61Å; F57-Y195 HydrophobicContact CE2-CE2 3.61Å; F57-Y195 AromaticContact CE2-CZ 3.91Å; F57-Y195 HydrophobicContact CZ-CD2 4.08Å; F57-Y195 AromaticContact CZ-CE2 3.67Å; F57-Y195 HydrophobicContact CZ-CE2 3.67Å
58V98.7Very high97.6Very high1 Ų149.6 Ų49.61%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-139.9154176.6-72.70000113Y31 V49 G50 Q56 M69 E70 I76 W84Y31-V58 HydrophobicContact CE1-CG2 4.04Å; V49-V58 WeakPolarHBondContact CA-O 3.41Å; G50-V58 PolarHBondContact N-O 3Å; G50-V58 VanDerWaalsContact N-O 3.12Å; Q56-V58 PolarHBondContact NE2-O 2.91Å; V58-M69 HydrophobicContact CB-CG 4.11Å; V58-M69 HydrophobicContact CB-SD 3.75Å; V58-M69 HydrophobicContact CG1-CG 4.2Å; V58-M69 HydrophobicContact CG1-SD 4.48Å; V58-M69 HydrophobicContact CG2-SD 4.18Å; V58-E70 WeakPolarHBondContact CA-O 3.32Å; V58-I76 HydrophobicContact CG1-CG1 4.35Å; V58-W84 HydrophobicContact CG1-CH2 4.04Å; V58-W84 HydrophobicContact CG1-CZ3 3.87Å
59R98.7Very high97.6Very high64 Ų6450 Ų5024%0.24227%0.265CS..EExtended strand (participates in β ladder)trans-145.9141.8172.9-176.8175.5174.185.47111.6A48 V49 D61 E70 R72A48-R59 CarbonylContact O-C 3.56Å; A48-R59 WeakPolarHBondContact O-CA 3.49Å; V49-R59 HydrophobicContact CG1-CB 4.44Å; V49-R59 HydrophobicContact CG1-CG 4.11Å; R59-D61 IonicContact NH2-OD2 2.83Å; R59-D61 PolarHBondContact NH2-OD2 2.95Å; R59-E70 PolarHBondContact N-O 3.36Å; R59-E70 PolarHBondContact O-N 3.37Å; R59-R72 HydrophobicContact CB-CG 3.81Å
60F98.9Very high97.6Very high4 Ų451.8 Ų51.82%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-128.6143.5163.8172.8-85.8000109.8F46 I47 A48 R67 R68 M69 V91 K92F46-F60 AromaticContact CD1-CD1 3.88Å; F46-F60 HydrophobicContact CD1-CD1 3.88Å; F46-F60 AromaticContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CD1-CE1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 4.3Å; I47-F60 WeakPolarHBondContact CA-O 3.2Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 3.13Å; A48-F60 PolarHBondContact O-N 3.04Å; F60-R67 HydrophobicContact CE2-CB 4.39Å; F60-R67 WeakPolarHBondContact CE2-O 3.37Å; F60-R68 WeakPolarHBondContact CD2-O 3.3Å; F60-M69 HydrophobicContact CB-CE 4.06Å; F60-M69 HydrophobicContact CB-SD 3.9Å; F60-V91 HydrophobicContact CB-CG1 4.07Å; F60-V91 HydrophobicContact CB-CG2 3.87Å; F60-V91 HydrophobicContact CD1-CG1 4.13Å; F60-V91 HydrophobicContact CD1-CG2 3.77Å; F60-V91 HydrophobicContact CD2-CG1 3.35Å; F60-V91 HydrophobicContact CD2-CG2 4.39Å; F60-V91 HydrophobicContact CE1-CG1 4.44Å; F60-V91 HydrophobicContact CE1-CG2 4.42Å; F60-V91 HydrophobicContact CE2-CG1 3.7Å; F60-V91 HydrophobicContact CG-CB 4.35Å; F60-V91 HydrophobicContact CG-CG1 3.58Å; F60-V91 HydrophobicContact CG-CG2 3.75Å; F60-V91 HydrophobicContact CZ-CG1 4.24Å; F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.21Å
61D98.6Very high97.6Very high21 Ų2154 Ų5411%0.11229%0.287CS..EExtended strand (participates in β ladder)trans-138.2121.8174.1-161-33.7000109.4R45 R59 D63 A64R45-D61 IonicContact CZ-OD1 3.61Å; R45-D61 IonicContact CZ-OD2 3.78Å; R45-D61 IonicContact NE-OD1 3.98Å; R45-D61 PolarHBondContact NE-OD1 3.18Å; R45-D61 VanDerWaalsContact NE-OD1 3.09Å; R45-D61 IonicContact NE-OD2 3.74Å; R45-D61 IonicContact NH2-OD1 3.62Å; R45-D61 IonicContact NH2-OD2 3.47Å; R45-D61 PolarHBondContact NH2-OD2 2.83Å; R59-D61 IonicContact NH2-OD2 2.83Å; R59-D61 PolarHBondContact NH2-OD2 2.95Å; D61-D63 PolarHBondContact O-N 3.16Å; D61-D63 PolarHBondContact OD1-N 2.85Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.33Å; D61-A64 PolarHBondContact O-N 2.78Å; D61-A64 VanDerWaalsContact O-N 3.15Å
62S98.2Very high97.5Very high17 Ų1756.4 Ų56.412%0.11930%0.295CS..THydrogen-bonded Turntrans-64.7-24-178.964.60000113.3F46 R67F46-S62 PolarHBondContact N-OG 2.9Å; F46-S62 PolarHBondContact O-N 3.01Å; F46-S62 PolarHBondContact O-OG 3.41Å; S62-R67 PolarHBondContact O-NE 2.91Å; S62-R67 VanDerWaalsContact O-NE 3.08Å
63D97.4Very high97.5Very high76 Ų7656.7 Ų56.741%0.40630%0.297SS..THydrogen-bonded Turntrans-87-10.3179.6-71.62.2000112.4R38 R45 D61R38-D63 IonicContact CZ-OD1 3.46Å; R38-D63 IonicContact CZ-OD2 3.58Å; R38-D63 IonicContact NH1-OD1 2.8Å; R38-D63 PolarHBondContact NH1-OD1 2.9Å; R38-D63 IonicContact NH1-OD2 3.35Å; R38-D63 PolarHBondContact NH1-OD2 2.99Å; R38-D63 IonicContact NH2-OD1 3.2Å; R38-D63 PolarHBondContact NH2-OD1 2.79Å; R38-D63 IonicContact NH2-OD2 2.88Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 IonicContact NE-OD2 2.72Å; D61-D63 PolarHBondContact O-N 3.16Å; D61-D63 PolarHBondContact OD1-N 2.85Å
64A97.4Very high97.5Very high31 Ų3159.8 Ų59.826%0.25632%0.32SS..SBendtrans-66.8151.3174.400000111.1D61 S66 R67D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.33Å; D61-A64 PolarHBondContact O-N 2.78Å; D61-A64 VanDerWaalsContact O-N 3.15Å; A64-S66 PolarHBondContact O-N 3.12Å; A64-R67 WeakPolarHBondContact O-CG 3.44Å; A64-R67 PolarHBondContact O-N 2.88Å
65A96.6Very high97.5Very high114 Ų11452.9 Ų52.994%0.94228%0.282SS*.SBendtrans-65.4-38.8178.300000112.5
66S94.3Very high97.5Very high58 Ų5850.2 Ų50.241%0.40627%0.265SS..SBendtrans-67.1-40.3179.461.10000111.8A64 R68 E70A64-S66 PolarHBondContact O-N 3.12Å; S66-R68 WeakPolarHBondContact O-CG 3.47Å; S66-R68 PolarHBondContact O-N 2.89Å; S66-E70 PolarHBondContact OG-OE1 2.96Å
67R96.7Very high97.4Very high147 Ų14753.6 Ų53.656%0.55528%0.281SS*.  trans45.347.9-169-55.1-175.5178.1153.12.3111.3F60 S62 A64 K92F60-R67 HydrophobicContact CE2-CB 4.39Å; F60-R67 WeakPolarHBondContact CE2-O 3.37Å; S62-R67 PolarHBondContact O-NE 2.91Å; S62-R67 VanDerWaalsContact O-NE 3.08Å; A64-R67 WeakPolarHBondContact O-CG 3.44Å; A64-R67 PolarHBondContact O-N 2.88Å; R67-K92 WeakPolarHBondContact O-CE 3.37Å; R67-K92 PolarHBondContact O-NZ 2.83Å; R67-K92 VanDerWaalsContact O-NZ 3.16Å
68R98.2Very high97.3Very high110 Ų11059.5 Ų59.542%0.41531%0.308SS..SBendtrans-121.5157.8176.1-63.2-173.470.3109.93.1110.3F60 S66 D85 T88F60-R68 WeakPolarHBondContact CD2-O 3.3Å; S66-R68 WeakPolarHBondContact O-CG 3.47Å; S66-R68 PolarHBondContact O-N 2.89Å; R68-D85 IonicContact CZ-OD1 3.7Å; R68-D85 IonicContact NH1-OD1 2.71Å; R68-D85 IonicContact NH2-OD1 2.97Å; R68-D85 PolarHBondContact NH2-OD1 3.17Å; R68-T88 HydrophobicContact CB-CG2 4.37Å; R68-T88 HydrophobicContact CG-CG2 4.29Å
69M98.5Very high97.2Very high8 Ų860 Ų604%0.03931%0.311CS..  trans-69.6128.7165.6-170.764.377.500108V58 F60 W84 E87 T88 V91V58-M69 HydrophobicContact CB-CG 4.11Å; V58-M69 HydrophobicContact CB-SD 3.75Å; V58-M69 HydrophobicContact CG1-CG 4.2Å; V58-M69 HydrophobicContact CG1-SD 4.48Å; V58-M69 HydrophobicContact CG2-SD 4.18Å; F60-M69 HydrophobicContact CB-CE 4.06Å; F60-M69 HydrophobicContact CB-SD 3.9Å; M69-W84 HydrophobicContact CB-CE3 4.31Å; M69-W84 HydrophobicContact CG-CE3 4.26Å; M69-W84 HydrophobicContact CG-CZ3 4.04Å; M69-E87 HydrophobicContact CB-CB 4.1Å; M69-E87 HydrophobicContact CG-CB 4.09Å; M69-T88 PolarHBondContact N-OG1 3.4Å; M69-V91 HydrophobicContact CE-CB 3.92Å; M69-V91 HydrophobicContact CE-CG1 4.11Å; M69-V91 HydrophobicContact CE-CG2 4Å
70E98.3Very high97.1Very high59 Ų5958.3 Ų58.328%0.27631%0.314SS..EExtended strand (participates in β ladder)trans-118140.5-174.3-67.5172.7173.200110.6V58 R59 S66 R72V58-E70 WeakPolarHBondContact CA-O 3.32Å; R59-E70 PolarHBondContact N-O 3.36Å; R59-E70 PolarHBondContact O-N 3.37Å; S66-E70 PolarHBondContact OG-OE1 2.96Å; E70-R72 IonicContact OE2-CZ 3.82Å; E70-R72 IonicContact OE2-NH2 3.69Å; E70-R72 PolarHBondContact OE2-NH2 3.49Å
71P98.2Very high97Very high47 Ų4762.1 Ų62.131%0.30534%0.338SS..EExtended strand (participates in β ladder)trans-66147.1173.429.2-34.8000111I76 E77 W84P71-I76 HydrophobicContact CB-CG2 3.55Å; P71-E77 HydrophobicContact CB-CG 3.83Å; P71-E77 HydrophobicContact CG-CG 4.03Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å
72R98.1Very high97Very high122 Ų12268.1 Ų68.146%0.4637%0.366SS..  trans-130.21175.2-60.5-65168.1174.1-2.9113.4Q56 F57 R59 E70Q56-R72 HydrophobicContact CG-CB 4.27Å; Q56-R72 HydrophobicContact CG-CG 4.5Å; Q56-R72 CarbonylContact O-C 3.6Å; F57-R72 PolarHBondContact O-N 3.49Å; R59-R72 HydrophobicContact CB-CG 3.81Å; E70-R72 IonicContact OE2-CZ 3.82Å; E70-R72 IonicContact OE2-NH2 3.69Å; E70-R72 PolarHBondContact OE2-NH2 3.49Å
73A96.3Very high97Very high5 Ų568.3 Ų68.34%0.04136%0.364CS..SBendtrans-138.3145.4172.100000110.3T55 F57 W75 I76T55-A73 HydrophobicContact CG2-CB 4.39Å; F57-A73 HydrophobicContact CB-CB 4.23Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.25Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.07Å; A73-W75 PolarHBondContact O-N 3.31Å; A73-I76 WeakPolarHBondContact O-CG2 3.26Å; A73-I76 PolarHBondContact O-N 3.47Å
74P96.1Very high97Very high102 Ų10266.2 Ų66.266%0.66235%0.35SS*.G310 helixtrans-59.1-37.5-176.1-26.334.8000113.8I76 E77P74-I76 PolarHBondContact O-N 3.47Å; P74-E77 WeakPolarHBondContact O-CB 3.01Å; P74-E77 PolarHBondContact O-N 3.13Å; P74-E77 VanDerWaalsContact O-N 3.12Å
75W95.3Very high97.1Very high15 Ų1568.1 Ų68.16%0.05736%0.357CS..G310 helixtrans-69.4-15.7-175.854.9-105.2000114.4V52 F57 A73 Q78 Y195 N198 L203V52-W75 HydrophobicContact CB-CH2 4.29Å; V52-W75 HydrophobicContact CB-CZ2 4.35Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; F57-W75 HydrophobicContact CB-CH2 3.18Å; F57-W75 HydrophobicContact CB-CZ2 3.31Å; F57-W75 HydrophobicContact CB-CZ3 4.1Å; F57-W75 HydrophobicContact CD1-CH2 4.18Å; F57-W75 AromaticContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CZ3 4.08Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.28Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.25Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.07Å; A73-W75 PolarHBondContact O-N 3.31Å; W75-Q78 WeakPolarHBondContact O-CG 3.33Å; W75-Y195 HydrophobicContact CH2-CG 4.22Å; W75-Y195 AromaticContact CZ3-CD1 3.87Å; W75-Y195 HydrophobicContact CZ3-CD1 3.87Å; W75-Y195 AromaticContact CZ3-CG 3.78Å; W75-Y195 HydrophobicContact CZ3-CG 3.78Å; W75-N198 HydrophobicContact CB-CB 4.47Å; W75-N198 WeakPolarHBondContact CB-O 3.38Å; W75-N198 HydrophobicContact CE3-CB 4.28Å; W75-L203 HydrophobicContact CD2-CD1 4.47Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.38Å
76I97.3Very high97.2Very high0 Ų063.4 Ų63.40%032%0.319CS..G310 helixtrans-86.4-18.9174.8-165.170.7000111.5F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195F57-I76 HydrophobicContact CD2-CB 4.41Å; F57-I76 HydrophobicContact CD2-CD1 3.93Å; F57-I76 HydrophobicContact CD2-CG1 3.98Å; F57-I76 HydrophobicContact CE2-CD1 4.23Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; V58-I76 HydrophobicContact CG1-CG1 4.35Å; P71-I76 HydrophobicContact CB-CG2 3.55Å; A73-I76 WeakPolarHBondContact O-CG2 3.26Å; A73-I76 PolarHBondContact O-N 3.47Å; P74-I76 PolarHBondContact O-N 3.47Å; I76-Q78 PolarHBondContact O-N 3.07Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; I76-E79 HydrophobicContact CD1-CG 3.65Å; I76-E79 HydrophobicContact CG1-CG 4.25Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.38Å; I76-E79 PolarHBondContact O-N 3.09Å; I76-Y83 HydrophobicContact CD1-CE1 4.18Å; I76-Y83 HydrophobicContact CG1-CE1 4.29Å; I76-W84 HydrophobicContact CB-CH2 4.42Å; I76-W84 HydrophobicContact CG1-CH2 3.66Å; I76-W84 HydrophobicContact CG1-CZ2 3.91Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.35Å; I76-W84 WeakPolarHBondContact O-CZ2 3.12Å; I76-Y195 HydrophobicContact CD1-CD1 3.73Å; I76-Y195 HydrophobicContact CD1-CE1 3.41Å; I76-Y195 VanDerWaalsContact CD1-CE1 3.41Å
77E95.7Very high97.4Very high125 Ų12561.4 Ų61.458%0.58430%0.303SS*.THydrogen-bonded Turntrans-63.8-21.5-177.8-63-178.2-172.900113.1P71 P74 E79P71-E77 HydrophobicContact CB-CG 3.83Å; P71-E77 HydrophobicContact CG-CG 4.03Å; P74-E77 WeakPolarHBondContact O-CB 3.01Å; P74-E77 PolarHBondContact O-N 3.13Å; P74-E77 VanDerWaalsContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.97Å
78Q94.9Very high97.5Very high123 Ų12354.8 Ų54.858%0.57528%0.279SS*.THydrogen-bonded Turntrans-72.1-12.5175.873.8-173.828.900114W75 I76 N198W75-Q78 WeakPolarHBondContact O-CG 3.33Å; I76-Q78 PolarHBondContact O-N 3.07Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 2.92Å; Q78-N198 PolarHBondContact NE2-OD1 3.19Å
79E97.2Very high97.5Very high12 Ų1257.8 Ų57.86%0.05629%0.29CS..SBendtrans-66.1138.5174.6-67.3-63.2165.700111.1I76 E77 Y83 W84 R194 N198I76-E79 HydrophobicContact CD1-CG 3.65Å; I76-E79 HydrophobicContact CG1-CG 4.25Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.38Å; I76-E79 PolarHBondContact O-N 3.09Å; E77-E79 PolarHBondContact O-N 2.97Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 3.93Å; E79-Y83 HydrophobicContact CG-CE1 4.15Å; E79-Y83 HydrophobicContact CG-CG 4.14Å; E79-W84 HydrophobicContact CB-CZ2 4.5Å; E79-W84 PolarHBondContact O-NE1 3.25Å; E79-R194 IonicContact OE1-CZ 3.11Å; E79-R194 IonicContact OE1-NE 3.09Å; E79-R194 PolarHBondContact OE1-NE 3.32Å; E79-R194 IonicContact OE1-NH2 2.8Å; E79-R194 PolarHBondContact OE1-NH2 2.71Å; E79-R194 IonicContact OE2-CZ 2.71Å; E79-R194 IonicContact OE2-NE 3.57Å; E79-R194 PolarHBondContact OE2-NE 3.34Å; E79-R194 IonicContact OE2-NH2 3.51Å; E79-R194 PolarHBondContact OE2-NH2 3Å; E79-N198 PolarHBondContact OE1-ND2 3.36Å
80G97.1Very high97.5Very high29 Ų2962.6 Ų62.630%0.29931%0.311SS..  trans-70167.4-175.300000114.4E82 Y83 W84G80-E82 PolarHBondContact O-N 2.81Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 2.96Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; G80-W84 VanDerWaalsContact O-CD1 3.23Å; G80-W84 PolarHBondContact O-N 3.15Å
81P97.4Very high97.4Very high83 Ų8359.9 Ų59.954%0.53930%0.298SS..Hα-helixtrans-58.4-32.4-179.323.4-32.3000113.2Y83 W84 D85P81-Y83 VanDerWaalsContact C-N 3.31Å; P81-Y83 PolarHBondContact O-N 2.79Å; P81-W84 PolarHBondContact O-N 3.2Å; P81-D85 WeakPolarHBondContact O-CB 3.34Å; P81-D85 PolarHBondContact O-N 2.83Å
82E98.1Very high97.4Very high147 Ų14762.1 Ų62.169%0.68730%0.303SS*.Hα-helixtrans-63.4-36.5178.4-62.475.5-165.200112.2G80 G86G80-E82 PolarHBondContact O-N 2.81Å; E82-G86 PolarHBondContact O-N 2.99Å
83Y97.9Very high97.5Very high21 Ų2158.9 Ų58.98%0.08230%0.302CS..Hα-helixtrans-62.8-52.3174170.9-96000110I76 E79 G80 P81 D85 G86 E87 W191 Y195I76-Y83 HydrophobicContact CD1-CE1 4.18Å; I76-Y83 HydrophobicContact CG1-CE1 4.29Å; E79-Y83 HydrophobicContact CB-CD1 3.48Å; E79-Y83 VanDerWaalsContact CB-CD1 3.48Å; E79-Y83 HydrophobicContact CB-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 3.93Å; E79-Y83 HydrophobicContact CG-CE1 4.15Å; E79-Y83 HydrophobicContact CG-CG 4.14Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 2.96Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; P81-Y83 VanDerWaalsContact C-N 3.31Å; P81-Y83 PolarHBondContact O-N 2.79Å; Y83-D85 PolarHBondContact O-N 3.45Å; Y83-G86 PolarHBondContact O-N 2.77Å; Y83-G86 VanDerWaalsContact O-N 3.16Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.15Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.72Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.26Å; Y83-E87 PolarHBondContact O-N 3.29Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.82Å; Y83-W191 HydrophobicContact CD2-CZ3 3.82Å; Y83-W191 HydrophobicContact CE2-CE3 4.31Å; Y83-W191 AromaticContact CE2-CH2 3.78Å; Y83-W191 HydrophobicContact CE2-CH2 3.78Å; Y83-W191 HydrophobicContact CE2-CZ2 4.44Å; Y83-W191 AromaticContact CE2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CZ3 3.69Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 2.68Å
84W98.5Very high97.5Very high32 Ų3260.9 Ų60.912%0.12131%0.311CS..Hα-helixtrans-64.2-39.4-177.8-65.5113.4000113.3V58 M69 P71 I76 E79 G80 P81 T88V58-W84 HydrophobicContact CG1-CH2 4.04Å; V58-W84 HydrophobicContact CG1-CZ3 3.87Å; M69-W84 HydrophobicContact CB-CE3 4.31Å; M69-W84 HydrophobicContact CG-CE3 4.26Å; M69-W84 HydrophobicContact CG-CZ3 4.04Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å; I76-W84 HydrophobicContact CB-CH2 4.42Å; I76-W84 HydrophobicContact CG1-CH2 3.66Å; I76-W84 HydrophobicContact CG1-CZ2 3.91Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.35Å; I76-W84 WeakPolarHBondContact O-CZ2 3.12Å; E79-W84 HydrophobicContact CB-CZ2 4.5Å; E79-W84 PolarHBondContact O-NE1 3.25Å; G80-W84 VanDerWaalsContact O-CD1 3.23Å; G80-W84 PolarHBondContact O-N 3.15Å; P81-W84 PolarHBondContact O-N 3.2Å; W84-T88 WeakPolarHBondContact O-CB 3.36Å; W84-T88 PolarHBondContact O-N 3.24Å; W84-T88 PolarHBondContact O-OG1 3.2Å
85D98.4Very high97.6Very high72 Ų7256.8 Ų56.839%0.38529%0.285SS..Hα-helixtrans-65.1-42.3173.3-81.1-21.3000111.5R68 P81 Y83 R89R68-D85 IonicContact CZ-OD1 3.7Å; R68-D85 IonicContact NH1-OD1 2.71Å; R68-D85 IonicContact NH2-OD1 2.97Å; R68-D85 PolarHBondContact NH2-OD1 3.17Å; P81-D85 WeakPolarHBondContact O-CB 3.34Å; P81-D85 PolarHBondContact O-N 2.83Å; Y83-D85 PolarHBondContact O-N 3.45Å; D85-R89 WeakPolarHBondContact O-CB 3.17Å; D85-R89 PolarHBondContact O-N 3Å
86G98.4Very high97.8Very high14 Ų1461.1 Ų61.114%0.14431%0.305CS..Hα-helixtrans-60.2-53.1175.900000112.4E82 Y83 T88 R89 K90E82-G86 PolarHBondContact O-N 2.99Å; Y83-G86 PolarHBondContact O-N 2.77Å; Y83-G86 VanDerWaalsContact O-N 3.16Å; G86-T88 VanDerWaalsContact C-N 3.35Å; G86-T88 PolarHBondContact O-N 3.41Å; G86-R89 PolarHBondContact O-N 2.75Å; G86-K90 WeakPolarHBondContact O-CG 3.05Å; G86-K90 PolarHBondContact O-N 3.49Å
87E98.4Very high97.8Very high17 Ų1764.4 Ų64.48%0.07933%0.326CS..Hα-helixtrans-63.7-40.3179.1-68-52.510800111.6M69 Y83 R89 K90 V91M69-E87 HydrophobicContact CB-CB 4.1Å; M69-E87 HydrophobicContact CG-CB 4.09Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.15Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.72Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.26Å; Y83-E87 PolarHBondContact O-N 3.29Å; E87-R89 VanDerWaalsContact C-N 3.32Å; E87-R89 PolarHBondContact O-N 3.48Å; E87-K90 PolarHBondContact O-N 3.5Å; E87-K90 WeakPolarHBondContact OE1-CD 3.39Å; E87-K90 IonicContact OE1-NZ 2.96Å; E87-K90 PolarHBondContact OE1-NZ 2.62Å; E87-V91 WeakPolarHBondContact O-CB 3.34Å; E87-V91 WeakPolarHBondContact O-CG1 3.47Å; E87-V91 PolarHBondContact O-N 3.3Å
88T98.6Very high97.9Very high8 Ų858.4 Ų58.45%0.04930%0.298CS..Hα-helixtrans-61.1-40.2174.2-63.40000111.9R68 M69 W84 G86 V91 K92R68-T88 HydrophobicContact CB-CG2 4.37Å; R68-T88 HydrophobicContact CG-CG2 4.29Å; M69-T88 PolarHBondContact N-OG1 3.4Å; W84-T88 WeakPolarHBondContact O-CB 3.36Å; W84-T88 PolarHBondContact O-N 3.24Å; W84-T88 PolarHBondContact O-OG1 3.2Å; G86-T88 VanDerWaalsContact C-N 3.35Å; G86-T88 PolarHBondContact O-N 3.41Å; T88-V91 WeakPolarHBondContact O-CG1 3.41Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.05Å; T88-K92 VanDerWaalsContact O-CG 3.28Å; T88-K92 WeakPolarHBondContact O-CG 3.33Å; T88-K92 PolarHBondContact O-N 3.09Å
89R98.6Very high98Very high172 Ų17257.7 Ų57.765%0.64929%0.29SS*.Hα-helixtrans-67.5-46177.2-169.1-175.3-58.31113.2111.4D85 G86 E87 V91 K92 A93D85-R89 WeakPolarHBondContact O-CB 3.17Å; D85-R89 PolarHBondContact O-N 3Å; G86-R89 PolarHBondContact O-N 2.75Å; E87-R89 VanDerWaalsContact C-N 3.32Å; E87-R89 PolarHBondContact O-N 3.48Å; R89-V91 PolarHBondContact O-N 2.61Å; R89-K92 PolarHBondContact O-N 3.11Å; R89-A93 PolarHBondContact O-N 3.47Å
90K97.8Very high98.1Very high110 Ų11061.6 Ų61.648%0.47831%0.314SS..Hα-helixtrans-60.1-46.4179.4-71.5174.6-167.5165.20111.8G86 E87 A93 H94G86-K90 WeakPolarHBondContact O-CG 3.05Å; G86-K90 PolarHBondContact O-N 3.49Å; E87-K90 PolarHBondContact O-N 3.5Å; E87-K90 WeakPolarHBondContact OE1-CD 3.39Å; E87-K90 IonicContact OE1-NZ 2.96Å; E87-K90 PolarHBondContact OE1-NZ 2.62Å; K90-A93 WeakPolarHBondContact O-CB 3.38Å; K90-A93 PolarHBondContact O-N 3.4Å; K90-H94 PolarHBondContact O-N 2.89Å; K90-H94 PolarHBondContact O-ND1 3.34Å
91V98.1Very high98.1Very high1 Ų162.5 Ų62.51%0.00631%0.312CS..Hα-helixtrans-69.1-34.6-178.177.10000112.1F46 A48 F60 M69 E87 T88 R89 H94 S95F46-V91 HydrophobicContact CD1-CG2 4.35Å; F46-V91 HydrophobicContact CE1-CG2 3.54Å; F46-V91 HydrophobicContact CZ-CG2 4.39Å; A48-V91 HydrophobicContact CB-CG2 3.56Å; F60-V91 HydrophobicContact CB-CG1 4.07Å; F60-V91 HydrophobicContact CB-CG2 3.87Å; F60-V91 HydrophobicContact CD1-CG1 4.13Å; F60-V91 HydrophobicContact CD1-CG2 3.77Å; F60-V91 HydrophobicContact CD2-CG1 3.35Å; F60-V91 HydrophobicContact CD2-CG2 4.39Å; F60-V91 HydrophobicContact CE1-CG1 4.44Å; F60-V91 HydrophobicContact CE1-CG2 4.42Å; F60-V91 HydrophobicContact CE2-CG1 3.7Å; F60-V91 HydrophobicContact CG-CB 4.35Å; F60-V91 HydrophobicContact CG-CG1 3.58Å; F60-V91 HydrophobicContact CG-CG2 3.75Å; F60-V91 HydrophobicContact CZ-CG1 4.24Å; M69-V91 HydrophobicContact CE-CB 3.92Å; M69-V91 HydrophobicContact CE-CG1 4.11Å; M69-V91 HydrophobicContact CE-CG2 4Å; E87-V91 WeakPolarHBondContact O-CB 3.34Å; E87-V91 WeakPolarHBondContact O-CG1 3.47Å; E87-V91 PolarHBondContact O-N 3.3Å; T88-V91 WeakPolarHBondContact O-CG1 3.41Å; R89-V91 PolarHBondContact O-N 2.61Å; V91-H94 PolarHBondContact O-N 2.82Å; V91-S95 PolarHBondContact O-N 3.08Å
92K98.4Very high98.1Very high94 Ų9459 Ų5941%0.40929%0.289SS..Hα-helixtrans-64.9-41.2171.3-76.8178.2179175.60112.2F60 R67 T88 R89 S95 Q96F60-K92 HydrophobicContact CE2-CG 4.25Å; F60-K92 HydrophobicContact CZ-CG 4.21Å; R67-K92 WeakPolarHBondContact O-CE 3.37Å; R67-K92 PolarHBondContact O-NZ 2.83Å; R67-K92 VanDerWaalsContact O-NZ 3.16Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CB 3.05Å; T88-K92 VanDerWaalsContact O-CG 3.28Å; T88-K92 WeakPolarHBondContact O-CG 3.33Å; T88-K92 PolarHBondContact O-N 3.09Å; R89-K92 PolarHBondContact O-N 3.11Å; K92-S95 WeakPolarHBondContact O-CB 3.16Å; K92-S95 PolarHBondContact O-N 3.18Å; K92-Q96 PolarHBondContact O-N 3.28Å
93A98.3Very high98.1Very high54 Ų5453.6 Ų53.645%0.44627%0.272SS..Hα-helixtrans-61.8-44.8174.100000111.2R89 K90 S95 Q96 T97R89-A93 PolarHBondContact O-N 3.47Å; K90-A93 WeakPolarHBondContact O-CB 3.38Å; K90-A93 PolarHBondContact O-N 3.4Å; A93-S95 VanDerWaalsContact C-N 3.32Å; A93-S95 PolarHBondContact O-N 2.84Å; A93-Q96 PolarHBondContact O-N 3.01Å; A93-Q96 VanDerWaalsContact O-N 3.12Å; A93-T97 PolarHBondContact O-N 3.33Å; A93-T97 PolarHBondContact O-OG1 2.71Å
94H97.9Very high98.1Very high47 Ų4755 Ų5522%0.21828%0.283CS..Hα-helixtrans-63.1-36.4176.4-80.957.6000113Y33 F46 K90 V91 Q96 T97 H98 R121Y33-H94 AromaticContact CD2-CD2 3.91Å; Y33-H94 HydrophobicContact CE2-CB 4.24Å; Y33-H94 AromaticContact CE2-CD2 3.36Å; Y33-H94 WeakPolarHBondContact CE2-CD2 3.43Å; Y33-H94 AromaticContact CE2-CG 3.96Å; F46-H94 HydrophobicContact CZ-CB 4.11Å; K90-H94 PolarHBondContact O-N 2.89Å; K90-H94 PolarHBondContact O-ND1 3.34Å; V91-H94 PolarHBondContact O-N 2.82Å; H94-Q96 VanDerWaalsContact C-N 3.31Å; H94-Q96 PolarHBondContact O-N 2.91Å; H94-T97 PolarHBondContact O-N 2.92Å; H94-H98 WeakPolarHBondContact O-CB 3.46Å; H94-H98 PolarHBondContact O-CD2 2.85Å; H94-H98 PolarHBondContact O-N 2.65Å; H94-R121 PolarHBondContact CD2-NH1 2.87Å; H94-R121 VanDerWaalsContact CD2-NH1 3.26Å; H94-R121 PolarHBondContact NE2-NH1 2.87Å
95S97.9Very high98.1Very high16 Ų1653.8 Ų53.811%0.11228%0.279CS..Hα-helixtrans-59.7-40.5173.1172.60000112.1F46 V91 K92 A93 R99F46-S95 WeakPolarHBondContact CB-OG 3.33Å; V91-S95 PolarHBondContact O-N 3.08Å; K92-S95 WeakPolarHBondContact O-CB 3.16Å; K92-S95 PolarHBondContact O-N 3.18Å; A93-S95 VanDerWaalsContact C-N 3.32Å; A93-S95 PolarHBondContact O-N 2.84Å; S95-R99 PolarHBondContact O-N 3.1Å; S95-R99 VanDerWaalsContact O-N 3.08Å
96Q97.9Very high98Very high106 Ų10653.4 Ų53.450%0.49527%0.272SS..Hα-helixtrans-69.9-40.6175.1-62.2-52.3-48.300112.3K92 A93 H94 R99 V100K92-Q96 PolarHBondContact O-N 3.28Å; A93-Q96 PolarHBondContact O-N 3.01Å; A93-Q96 VanDerWaalsContact O-N 3.12Å; H94-Q96 VanDerWaalsContact C-N 3.31Å; H94-Q96 PolarHBondContact O-N 2.91Å; Q96-R99 WeakPolarHBondContact O-CB 3.17Å; Q96-R99 PolarHBondContact O-N 2.97Å; Q96-V100 PolarHBondContact O-N 3.11Å; Q96-V100 VanDerWaalsContact O-N 3.16Å
97T98Very high97.9Very high69 Ų6956.4 Ų56.442%0.42329%0.29SS..Hα-helixtrans-59.2-49.3173.7-56.10000111.1A93 H94 R99 V100 D101A93-T97 PolarHBondContact O-N 3.33Å; A93-T97 PolarHBondContact O-OG1 2.71Å; H94-T97 PolarHBondContact O-N 2.92Å; T97-R99 VanDerWaalsContact C-N 3.26Å; T97-R99 PolarHBondContact O-N 3.46Å; T97-V100 PolarHBondContact O-N 3.44Å; T97-D101 VanDerWaalsContact O-CG 3.23Å; T97-D101 PolarHBondContact O-N 2.04Å
98H98.1Very high97.9Very high0 Ų058.5 Ų58.50%030%0.298CS..Hα-helixtrans-62-32178.5-84-138000112.9F46 H94 D101 L102 L119F46-H98 HydrophobicContact CD2-CB 4.06Å; F46-H98 HydrophobicContact CE2-CB 4.07Å; F46-H98 AromaticContact CE2-CE1 3.93Å; F46-H98 AromaticContact CE2-CG 3.67Å; F46-H98 AromaticContact CE2-ND1 3.55Å; H94-H98 WeakPolarHBondContact O-CB 3.46Å; H94-H98 PolarHBondContact O-CD2 2.85Å; H94-H98 PolarHBondContact O-N 2.65Å; H98-D101 PolarHBondContact O-N 2.86Å; H98-L102 WeakPolarHBondContact O-CB 3.37Å; H98-L102 VanDerWaalsContact O-CG 3.28Å; H98-L102 WeakPolarHBondContact O-CG 3.46Å; H98-L102 PolarHBondContact O-N 2.88Å; H98-L119 HydrophobicContact CB-CD2 4.38Å
99R97.7Very high97.8Very high108 Ų10861.3 Ų61.341%0.40831%0.308SS..Hα-helixtrans-62.1-46.5172.4171.4-164.1165.3150.217.3111.1E43 P44 S95 Q96 T97 G103E43-R99 IonicContact OE1-CZ 3.45Å; E43-R99 IonicContact OE1-NE 2.75Å; E43-R99 IonicContact OE1-NH1 2.68Å; E43-R99 PolarHBondContact OE1-NH1 3.02Å; E43-R99 IonicContact OE1-NH2 3.61Å; E43-R99 PolarHBondContact OE1-NH2 2.9Å; E43-R99 WeakPolarHBondContact OE2-CD 3.44Å; E43-R99 IonicContact OE2-CZ 3.53Å; E43-R99 IonicContact OE2-NE 3.51Å; E43-R99 PolarHBondContact OE2-NE 3Å; E43-R99 VanDerWaalsContact OE2-NE 3.15Å; E43-R99 IonicContact OE2-NH1 3.7Å; E43-R99 PolarHBondContact OE2-NH1 3.42Å; E43-R99 IonicContact OE2-NH2 2.77Å; E43-R99 PolarHBondContact OE2-NH2 3.45Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.34Å; S95-R99 PolarHBondContact O-N 3.1Å; S95-R99 VanDerWaalsContact O-N 3.08Å; Q96-R99 WeakPolarHBondContact O-CB 3.17Å; Q96-R99 PolarHBondContact O-N 2.97Å; T97-R99 VanDerWaalsContact C-N 3.26Å; T97-R99 PolarHBondContact O-N 3.46Å; R99-G103 PolarHBondContact O-N 3.47Å
100V97.8Very high97.8Very high93 Ų9360.3 Ų60.356%0.56432%0.315SS*.Hα-helixtrans-66.2-41.4177.3176.10000110.9Q96 T97 L102 G103 T104Q96-V100 PolarHBondContact O-N 3.11Å; Q96-V100 VanDerWaalsContact O-N 3.16Å; T97-V100 PolarHBondContact O-N 3.44Å; V100-L102 PolarHBondContact O-N 3.5Å; V100-G103 PolarHBondContact O-N 3.35Å; V100-T104 PolarHBondContact O-N 3.08Å; V100-T104 PolarHBondContact O-OG1 3.47Å; V100-T104 VanDerWaalsContact O-OG1 3.05Å
101D98Very high97.7Very high48 Ų4857.8 Ų57.826%0.25731%0.305SS..Hα-helixtrans-62.9-41.8178.6-65.9-20.1000111.5T97 H98 G103 T104 L105 L119T97-D101 VanDerWaalsContact O-CG 3.23Å; T97-D101 PolarHBondContact O-N 2.04Å; H98-D101 PolarHBondContact O-N 2.86Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 2.89Å; D101-T104 PolarHBondContact O-N 3.18Å; D101-T104 VanDerWaalsContact O-N 3.13Å; D101-L105 WeakPolarHBondContact O-CB 3.47Å; D101-L105 VanDerWaalsContact O-CG 3.28Å; D101-L105 WeakPolarHBondContact O-CG 3.43Å; D101-L105 PolarHBondContact O-N 2.95Å; D101-L119 HydrophobicContact CB-CD2 3.52Å
102L98.2Very high97.6Very high10 Ų1061.5 Ų61.55%0.05233%0.331CS..Hα-helixtrans-57.4-41.9174.3-81.6169.3000112.1S35 P44 H98 V100 R106 H117 L119 Y142S35-L102 VanDerWaalsContact OG-CD1 3.24Å; S35-L102 WeakPolarHBondContact OG-CD1 3.43Å; P44-L102 HydrophobicContact CB-CD1 3.67Å; P44-L102 HydrophobicContact CG-CD1 3.73Å; H98-L102 WeakPolarHBondContact O-CB 3.37Å; H98-L102 VanDerWaalsContact O-CG 3.28Å; H98-L102 WeakPolarHBondContact O-CG 3.46Å; H98-L102 PolarHBondContact O-N 2.88Å; V100-L102 PolarHBondContact O-N 3.5Å; L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 2.88Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; L102-L119 HydrophobicContact CD2-CB 3.64Å; L102-L119 HydrophobicContact CG-CB 4.04Å; L102-Y142 HydrophobicContact CD2-CE2 4.05Å
103G96.8Very high97.2Very high33 Ų3363.6 Ų63.634%0.3434%0.342SS..Hα-helixtrans-65.8-41175.100000112.5R99 V100 D101 C107R99-G103 PolarHBondContact O-N 3.47Å; V100-G103 PolarHBondContact O-N 3.35Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 2.89Å; G103-C107 PolarHBondContact O-N 3.41Å; G103-C107 PolarHBondContact O-SG 2.88Å; G103-C107 VanDerWaalsContact O-SG 3.34Å
104T97.8Very high96.9Very high50 Ų5065.1 Ų65.131%0.30736%0.355SS..Hα-helixtrans-65.4-46.6178.4-58.40000111.8V100 D101 C107 Y108V100-T104 PolarHBondContact O-N 3.08Å; V100-T104 PolarHBondContact O-OG1 3.47Å; V100-T104 VanDerWaalsContact O-OG1 3.05Å; D101-T104 PolarHBondContact O-N 3.18Å; D101-T104 VanDerWaalsContact O-N 3.13Å; T104-C107 WeakPolarHBondContact O-CB 3.28Å; T104-C107 PolarHBondContact O-N 2.71Å; T104-Y108 HydrophobicContact CG2-CD1 4.34Å; T104-Y108 HydrophobicContact CG2-CD2 4.36Å; T104-Y108 HydrophobicContact CG2-CE1 3.83Å; T104-Y108 HydrophobicContact CG2-CE2 3.86Å; T104-Y108 PolarHBondContact O-N 2.84Å
105L98.1Very high96.7Very high7 Ų763.9 Ų63.94%0.03736%0.355CS..Hα-helixtrans-62.9-44.3178.7-69.4167.9000111D101 C107 Y108 Y109 L119 Y142 Y147D101-L105 WeakPolarHBondContact O-CB 3.47Å; D101-L105 VanDerWaalsContact O-CG 3.28Å; D101-L105 WeakPolarHBondContact O-CG 3.43Å; D101-L105 PolarHBondContact O-N 2.95Å; L105-C107 PolarHBondContact O-N 2.95Å; L105-Y108 HydrophobicContact CD2-CD2 4.45Å; L105-Y108 PolarHBondContact O-N 3.34Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 WeakPolarHBondContact O-CD2 3.38Å; L105-Y109 PolarHBondContact O-N 3.16Å; L105-L119 HydrophobicContact CD1-CD1 3.53Å; L105-L119 HydrophobicContact CD1-CD2 4.08Å; L105-L119 HydrophobicContact CD1-CG 4.28Å; L105-Y142 HydrophobicContact CB-CD1 4.38Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; L105-Y147 HydrophobicContact CD2-CD1 4.24Å; L105-Y147 HydrophobicContact CD2-CD2 4.28Å; L105-Y147 HydrophobicContact CD2-CE1 3.64Å; L105-Y147 HydrophobicContact CD2-CE2 3.67Å
106R97.1Very high96.7Very high65 Ų6566.5 Ų66.525%0.24537%0.374CS..Hα-helixtrans-53.3-42.9174.3-171.1-173.667.6161.212.6111.7L102 N110 Q111 E113L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 2.88Å; L102-R106 VanDerWaalsContact O-N 3.08Å; R106-N110 PolarHBondContact O-N 3.16Å; R106-N110 VanDerWaalsContact O-N 3.16Å; R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.4Å; R106-Q111 PolarHBondContact O-N 2.95Å; R106-E113 IonicContact CZ-OE1 3.03Å; R106-E113 VanDerWaalsContact CZ-OE1 3.29Å; R106-E113 VanDerWaalsContact NH1-CA 3.32Å; R106-E113 VanDerWaalsContact NH1-CB 3.31Å; R106-E113 IonicContact NH1-OE1 3.9Å; R106-E113 PolarHBondContact NH1-OE1 2.8Å; R106-E113 IonicContact NH2-OE1 3.87Å; R106-E113 PolarHBondContact NH2-OE1 2.64Å
107C96.9Very high96.7Very high77 Ų7762.3 Ų62.352%0.5235%0.354SS..Hα-helixtrans-67-44.8175.5-670000112.5G103 T104 L105 Y109 N110G103-C107 PolarHBondContact O-N 3.41Å; G103-C107 PolarHBondContact O-SG 2.88Å; G103-C107 VanDerWaalsContact O-SG 3.34Å; T104-C107 WeakPolarHBondContact O-CB 3.28Å; T104-C107 PolarHBondContact O-N 2.71Å; L105-C107 PolarHBondContact O-N 2.95Å; C107-Y109 PolarHBondContact O-N 3.42Å; C107-N110 PolarHBondContact O-N 2.73Å; C107-N110 VanDerWaalsContact O-N 3.11Å; C107-N110 PolarHBondContact O-OD1 2.94Å
108Y97.7Very high96.7Very high61 Ų6160.9 Ų60.924%0.23935%0.345CS..Hα-helixtrans-59.5-34.6178.6-71.4-7.6000113T104 L105 T166 K170T104-Y108 HydrophobicContact CG2-CD1 4.34Å; T104-Y108 HydrophobicContact CG2-CD2 4.36Å; T104-Y108 HydrophobicContact CG2-CE1 3.83Å; T104-Y108 HydrophobicContact CG2-CE2 3.86Å; T104-Y108 PolarHBondContact O-N 2.84Å; L105-Y108 HydrophobicContact CD2-CD2 4.45Å; L105-Y108 PolarHBondContact O-N 3.34Å; Y108-T166 HydrophobicContact CE1-CG2 4.2Å; Y108-T166 HydrophobicContact CE2-CG2 4.23Å; Y108-K170 PolarHBondContact OH-NZ 3.15Å
109Y97.8Very high96.8Very high67 Ų6760.9 Ų60.926%0.26335%0.345SS..THydrogen-bonded Turntrans-93.74.7178.6-67.9-73000114.1L105 C107 Q111 Y142 Y147 D161 A163L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 WeakPolarHBondContact O-CD2 3.38Å; L105-Y109 PolarHBondContact O-N 3.16Å; C107-Y109 PolarHBondContact O-N 3.42Å; Y109-Q111 PolarHBondContact O-N 2.88Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.42Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.49Å; Y109-Y147 HydrophobicContact CE2-CE2 4.22Å; Y109-Y147 WeakPolarHBondContact OH-CD2 2.96Å; Y109-Y147 VanDerWaalsContact OH-CE2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.18Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 PolarHBondContact OH-OD1 3.48Å; Y109-D161 PolarHBondContact OH-OD2 3.25Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 4.04Å
110N97.1Very high96.8Very high150 Ų15059.4 Ų59.480%0.80234%0.343SS*.THydrogen-bonded Turntrans51.439.9-176.8-57.9-55.2000113.2R106 C107R106-N110 PolarHBondContact O-N 3.16Å; R106-N110 VanDerWaalsContact O-N 3.16Å; C107-N110 PolarHBondContact O-N 2.73Å; C107-N110 VanDerWaalsContact O-N 3.11Å; C107-N110 PolarHBondContact O-OD1 2.94Å
111Q97.1Very high96.9Very high57 Ų5755.6 Ų55.627%0.26632%0.319SS..  trans-87.7149.9-175.9-71.4167.6-31.800112R106 Y109 H117 Y142 D143R106-Q111 HydrophobicContact CG-CB 3.81Å; R106-Q111 WeakPolarHBondContact CG-O 3.4Å; R106-Q111 PolarHBondContact O-N 2.95Å; Y109-Q111 PolarHBondContact O-N 2.88Å; Q111-H117 PolarHBondContact NE2-CE1 2.8Å; Q111-H117 PolarHBondContact OE1-CE1 2.84Å; Q111-H117 PolarHBondContact OE1-ND1 2.81Å; Q111-Y142 PolarHBondContact OE1-OH 3.4Å; Q111-D143 PolarHBondContact NE2-OD2 2.84Å
112S95.1Very high96.9Very high79 Ų7954.1 Ų54.155%0.55231%0.31SS*.  trans-69.4155.6-178.476.50000113.1A114 G115S112-A114 VanDerWaalsContact C-N 3.26Å; S112-A114 PolarHBondContact O-N 3.41Å; S112-G115 PolarHBondContact O-N 3.41Å
113E90.9Very high96.9Very high138 Ų13854.4 Ų54.465%0.64531%0.311SS*.THydrogen-bonded Turntrans-70.4-21.9177-50.4-147.1118.300114.5P39 R106 G115P39-E113 WeakPolarHBondContact CB-O 3.35Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.03Å; R106-E113 VanDerWaalsContact CZ-OE1 3.29Å; R106-E113 VanDerWaalsContact NH1-CA 3.32Å; R106-E113 VanDerWaalsContact NH1-CB 3.31Å; R106-E113 IonicContact NH1-OE1 3.9Å; R106-E113 PolarHBondContact NH1-OE1 2.8Å; R106-E113 IonicContact NH2-OE1 3.87Å; R106-E113 PolarHBondContact NH2-OE1 2.64Å; E113-G115 VanDerWaalsContact C-N 3.28Å; E113-G115 PolarHBondContact O-N 3.05Å
114A92.1Very high97Very high86 Ų8652.8 Ų52.871%0.71129%0.294SS*.THydrogen-bonded Turntrans-77.9-14-179.700000113S112S112-A114 VanDerWaalsContact C-N 3.26Å; S112-A114 PolarHBondContact O-N 3.41Å
115G93.3Very high97.1Very high21 Ų2150.4 Ų50.422%0.21628%0.28CS..  trans-75.1133.6-179.500000112.8P39 S112 E113 H117P39-G115 WeakPolarHBondContact CG-O 3.44Å; S112-G115 PolarHBondContact O-N 3.41Å; E113-G115 VanDerWaalsContact C-N 3.28Å; E113-G115 PolarHBondContact O-N 3.05Å; G115-H117 PolarHBondContact O-CD2 3.18Å
116S97.2Very high97.1Very high72 Ų7251.3 Ų51.350%0.50328%0.284SS..  trans-84.7133.4165.1-178.70000109S37S37-S116 WeakPolarHBondContact O-CB 3.19Å; S37-S116 PolarHBondContact O-OG 3.45Å
117H98.4Very high97.1Very high17 Ų1748.2 Ų48.28%0.07927%0.273CS..  trans-131.9148.6-174.4-63.9-72.8000110.5V36 S37 L102 Q111 G115 Y142 D143V36-H117 WeakPolarHBondContact CA-O 3.42Å; S37-H117 PolarHBondContact N-O 2.82Å; S37-H117 PolarHBondContact OG-N 2.83Å; S37-H117 PolarHBondContact OG-O 3.26Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; Q111-H117 PolarHBondContact NE2-CE1 2.8Å; Q111-H117 PolarHBondContact OE1-CE1 2.84Å; Q111-H117 PolarHBondContact OE1-ND1 2.81Å; G115-H117 PolarHBondContact O-CD2 3.18Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.25Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 PolarHBondContact ND1-OH 3.4Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 IonicContact CE1-OD2 2.75Å; H117-D143 IonicContact CG-OD1 3.68Å; H117-D143 IonicContact CG-OD2 3.93Å; H117-D143 IonicContact ND1-OD1 3.29Å; H117-D143 IonicContact ND1-OD2 3.15Å; H117-D143 PolarHBondContact ND1-OD2 3.36Å
118T98.7Very high97Very high39 Ų3944.8 Ų44.824%0.23925%0.251CS..EExtended strand (participates in β ladder)trans-120.8123.1-177.5-59.40000110.6T34 S35 V36 Q120 Y142 D143T34-T118 HydrophobicContact CG2-CG2 3.97Å; S35-T118 CarbonylContact O-C 3.46Å; S35-T118 WeakPolarHBondContact O-CA 3.12Å; V36-T118 HydrophobicContact CG2-CG2 4.16Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; T118-Y142 WeakPolarHBondContact O-CA 3.34Å; T118-Y142 WeakPolarHBondContact O-CD2 3.48Å; T118-D143 PolarHBondContact N-OD1 2.89Å; T118-D143 PolarHBondContact O-N 2.92Å
119L98.8Very high96.6Very high1 Ų145.7 Ų45.71%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-108.3121.5171.1178.560.6000109.3S35 H98 D101 L102 L105 Y140 Y142S35-L119 PolarHBondContact N-O 2.91Å; S35-L119 PolarHBondContact O-N 2.84Å; H98-L119 HydrophobicContact CB-CD2 4.38Å; D101-L119 HydrophobicContact CB-CD2 3.52Å; L102-L119 HydrophobicContact CD2-CB 3.64Å; L102-L119 HydrophobicContact CG-CB 4.04Å; L105-L119 HydrophobicContact CD1-CD1 3.53Å; L105-L119 HydrophobicContact CD1-CD2 4.08Å; L105-L119 HydrophobicContact CD1-CG 4.28Å; L119-Y140 HydrophobicContact CD1-CD1 3.77Å; L119-Y140 HydrophobicContact CD1-CE1 4.47Å; L119-Y140 HydrophobicContact CG-CD1 4.32Å; L119-Y142 HydrophobicContact CB-CD2 4.44Å; L119-Y142 HydrophobicContact CD1-CD2 4.43Å
120Q98.8Very high96.2Very high77 Ų7746.5 Ų46.536%0.3628%0.275SS..EExtended strand (participates in β ladder)trans-114.6147.3176.9-68172.9-67.100110.4Y33 T34 T118 Y140 A141Y33-Q120 CarbonylContact O-C 3.53Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.48Å; T34-Q120 HydrophobicContact CG2-CG 4.09Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; Q120-Y140 CarbonylContact O-C 3.47Å; Q120-Y140 VanDerWaalsContact O-CA 3.26Å; Q120-Y140 WeakPolarHBondContact O-CA 3.34Å; Q120-A141 HydrophobicContact CB-CB 4.3Å; Q120-A141 PolarHBondContact N-O 3.24Å; Q120-A141 PolarHBondContact O-N 3.14Å
121R98.7Very high95.8Very high13 Ų1341.5 Ų41.55%0.04925%0.245CC..EExtended strand (participates in β ladder)trans-138.1134.2173.7179.1-169.7171.2-176-33.8109.4F32 Y33 H94 Y123 H138 Q139 Y140F32-R121 WeakPolarHBondContact CA-O 3.26Å; Y33-R121 PolarHBondContact N-O 2.83Å; Y33-R121 PolarHBondContact O-N 2.87Å; H94-R121 PolarHBondContact CD2-NH1 2.87Å; H94-R121 VanDerWaalsContact CD2-NH1 3.26Å; H94-R121 PolarHBondContact NE2-NH1 2.87Å; R121-Y123 HydrophobicContact CG-CD1 4.34Å; R121-H138 PolarHBondContact NE-CE1 3.01Å; R121-H138 VanDerWaalsContact NE-CE1 3.28Å; R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.34Å; R121-Y140 HydrophobicContact CB-CD1 3.91Å; R121-Y140 HydrophobicContact CB-CE1 3.82Å; R121-Y140 HydrophobicContact CB-CE2 4.46Å; R121-Y140 HydrophobicContact CB-CG 4.34Å; R121-Y140 VanDerWaalsContact CD-CZ 3.43Å; R121-Y140 WeakPolarHBondContact CD-OH 3.43Å; R121-Y140 HydrophobicContact CG-CD1 4.25Å; R121-Y140 HydrophobicContact CG-CD2 4.13Å; R121-Y140 HydrophobicContact CG-CE1 3.97Å; R121-Y140 HydrophobicContact CG-CE2 3.78Å; R121-Y140 HydrophobicContact CG-CG 4.37Å; R121-Y140 PolarHBondContact NH1-OH 3.18Å
122M98.7Very high95.7Very high17 Ų1747.1 Ų47.18%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-122.3132.8169.9-172.9-79-7200109Y31 F32 Y137 H138 Q139Y31-M122 WeakPolarHBondContact O-CA 3.46Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.6Å; F32-M122 HydrophobicContact CE1-CB 4.18Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.41Å; F32-M122 HydrophobicContact CZ-CG 3.99Å; M122-Y137 HydrophobicContact CE-CD1 3.92Å; M122-Y137 HydrophobicContact CE-CG 3.99Å; M122-Y137 HydrophobicContact SD-CG 4.41Å; M122-H138 WeakPolarHBondContact O-CA 3.46Å; M122-Q139 HydrophobicContact CB-CG 3.95Å; M122-Q139 VanDerWaalsContact CE-CD 3.42Å; M122-Q139 HydrophobicContact CE-CG 3.96Å; M122-Q139 PolarHBondContact N-O 2.96Å; M122-Q139 PolarHBondContact O-N 3.5Å
123Y98.8Very high95.8Very high15 Ų1546.1 Ų46.16%0.05925%0.249CC..EExtended strand (participates in β ladder)trans-147.9159.5170.969.8-87.1000110.9Y31 Y33 R121 Y137 W180 Y183Y31-Y123 VanDerWaalsContact CB-CZ 3.48Å; Y31-Y123 HydrophobicContact CD2-CD2 4.42Å; Y31-Y123 AromaticContact CD2-CE2 3.64Å; Y31-Y123 HydrophobicContact CD2-CE2 3.64Å; Y31-Y123 AromaticContact CD2-CZ 3.83Å; Y31-Y123 HydrophobicContact CE2-CE2 4.44Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.04Å; Y31-Y123 AromaticContact CG-CZ 3.74Å; Y31-Y123 PolarHBondContact N-O 3.1Å; Y31-Y123 PolarHBondContact O-N 3.09Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å; Y33-Y123 HydrophobicContact CD2-CE1 4.1Å; Y33-Y123 HydrophobicContact CE1-CE1 4.25Å; Y33-Y123 AromaticContact CE2-CE1 3.51Å; Y33-Y123 HydrophobicContact CE2-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CE1 3.64Å; Y33-Y123 AromaticContact CZ-CZ 3.95Å; Y33-Y123 PolarHBondContact OH-OH 2.84Å; R121-Y123 HydrophobicContact CG-CD1 4.34Å; Y123-Y137 WeakPolarHBondContact CA-O 3.2Å; Y123-Y137 WeakPolarHBondContact CB-O 3.42Å; Y123-W180 AromaticContact CD2-CZ3 4Å; Y123-W180 HydrophobicContact CD2-CZ3 4Å; Y123-W180 HydrophobicContact CG-CZ3 4.23Å; Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.85Å; Y123-Y183 HydrophobicContact CE2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å
124G98.8Very high96.1Very high0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans159.2-176.3-177.600000113.2M29 G136 Y137 L184M29-G124 CarbonylContact O-C 3.54Å; M29-G124 WeakPolarHBondContact O-CA 3.37Å; G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.15Å; G124-Y137 PolarHBondContact N-O 3.36Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 WeakPolarHBondContact O-CD2 3.36Å; G124-Y137 PolarHBondContact O-N 3.04Å; G124-L184 WeakPolarHBondContact O-CD2 3.45Å
125C98.8Very high96.3Very high0 Ų044.7 Ų44.70%023%0.227CC..EExtended strand (participates in β ladder)trans-137152-176.654.30000111.3S28 M29 F133 R135 C188S28-C125 WeakPolarHBondContact CA-O 3.47Å; M29-C125 PolarHBondContact N-O 2.85Å; M29-C125 PolarHBondContact O-N 3.22Å; C125-F133 HydrophobicContact CB-CD2 4.44Å; C125-F133 HydrophobicContact CB-CE2 4.18Å; C125-R135 CarbonylContact C-O 3.52Å; C125-R135 VanDerWaalsContact CA-O 3.26Å; C125-R135 WeakPolarHBondContact CA-O 3.47Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.19Å; C125-C188 PolarHBondContact N-SG 3.41Å; C125-C188 WeakPolarHBondContact SG-CB 3.27Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.84Å
126D98.3Very high96.6Very high25 Ų2544 Ų4413%0.13422%0.219CC..EExtended strand (participates in β ladder)trans-113.3140.5170.3-54.8-19.1000108.8H27 S28 R30 L134 R135 Y137H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.06Å; S28-D126 VanDerWaalsContact CB-OD1 3.25Å; S28-D126 WeakPolarHBondContact CB-OD1 3.37Å; R30-D126 IonicContact CZ-OD1 3.83Å; R30-D126 IonicContact NE-OD1 3.98Å; R30-D126 PolarHBondContact NE-OD1 2.72Å; R30-D126 IonicContact NH2-OD1 3.6Å; R30-D126 PolarHBondContact NH2-OD1 3Å; R30-D126 IonicContact NH2-OD2 2.81Å; R30-D126 PolarHBondContact NH2-OD2 2.83Å; D126-L134 HydrophobicContact CB-CB 4.46Å; D126-L134 PolarHBondContact O-N 2.88Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 2.84Å; D126-R135 PolarHBondContact O-N 2.81Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.26Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.31Å; D126-Y137 PolarHBondContact OD2-OH 3.26Å
127V97.3Very high96.7Very high0 Ų042.3 Ų42.30%020%0.202CC..EExtended strand (participates in β ladder)trans-122.8145.6175.9-60.80000110.5S26 H27 W131 R132 V189 L192S26-V127 CarbonylContact C-O 3.59Å; S26-V127 WeakPolarHBondContact CA-O 3.43Å; S26-V127 WeakPolarHBondContact CB-O 3.41Å; H27-V127 HydrophobicContact CB-CG2 3.88Å; H27-V127 PolarHBondContact N-O 2.84Å; H27-V127 PolarHBondContact O-N 2.94Å; V127-W131 HydrophobicContact CG2-CE3 4.1Å; V127-W131 HydrophobicContact CG2-CZ3 4.05Å; V127-R132 CarbonylContact C-O 3.52Å; V127-R132 VanDerWaalsContact CA-O 3.26Å; V127-R132 WeakPolarHBondContact CA-O 3.47Å; V127-V189 HydrophobicContact CG1-CB 4.35Å; V127-V189 HydrophobicContact CG1-CG1 3.91Å; V127-V189 HydrophobicContact CG1-CG2 3.92Å; V127-L192 HydrophobicContact CB-CD2 4.44Å; V127-L192 HydrophobicContact CG1-CD2 4.01Å; V127-L192 HydrophobicContact CG2-CD2 3.68Å; V127-L192 HydrophobicContact CG2-CG 4.39Å
128G94.4Very high96.7Very high6 Ų641.6 Ų41.66%0.06220%0.199CC..  trans-77.9174176.800000112D130 W131 R132 L134G128-D130 PolarHBondContact O-N 3.13Å; G128-D130 VanDerWaalsContact O-N 3.16Å; G128-W131 WeakPolarHBondContact O-CA 3.29Å; G128-W131 PolarHBondContact O-N 3.2Å; G128-R132 PolarHBondContact N-O 3.4Å; G128-L134 VanDerWaalsContact CA-CD1 3.44Å
129S89.7Confident96.7Very high79 Ų7943.3 Ų43.355%0.55220%0.204SC*.THydrogen-bonded Turntrans-62.7-18.117457.10000113.4G25 W131G25-S129 WeakPolarHBondContact O-CA 3.45Å; S129-W131 VanDerWaalsContact C-N 3.3Å
130D89.1Confident96.7Very high84 Ų8444.2 Ų44.245%0.44921%0.208SC..THydrogen-bonded Turntrans-91.211.2173.371.2-16.4000113.1G128 R132G128-D130 PolarHBondContact O-N 3.13Å; G128-D130 VanDerWaalsContact O-N 3.16Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.13Å; D130-R132 PolarHBondContact OD1-N 3.08Å; D130-R132 VanDerWaalsContact OD1-N 3.08Å; D130-R132 WeakPolarHBondContact OD2-CD 3.21Å; D130-R132 WeakPolarHBondContact OD2-CG 3.26Å; D130-R132 IonicContact OD2-CZ 2.64Å; D130-R132 IonicContact OD2-NE 3.69Å; D130-R132 PolarHBondContact OD2-NE 3.24Å
131W88.8Confident96.7Very high45 Ų4541.3 Ų41.317%0.1720%0.197CC..SBendtrans65.85.4-177.3-60.998.8000115.7W23 H27 V127 G128 S129 R193 L196W23-W131 HydrophobicContact CB-CH2 4.46Å; W23-W131 HydrophobicContact CB-CZ2 3.48Å; W23-W131 VanDerWaalsContact CB-CZ2 3.48Å; W23-W131 AromaticContact CD2-CE2 3.95Å; W23-W131 HydrophobicContact CD2-CH2 4.05Å; W23-W131 AromaticContact CD2-CZ2 3.23Å; W23-W131 HydrophobicContact CD2-CZ2 3.23Å; W23-W131 AromaticContact CE3-CE2 3.93Å; W23-W131 AromaticContact CE3-CH2 3.23Å; W23-W131 HydrophobicContact CE3-CH2 3.23Å; W23-W131 AromaticContact CE3-CZ2 2.9Å; W23-W131 HydrophobicContact CE3-CZ2 2.9Å; W23-W131 HydrophobicContact CE3-CZ3 4.47Å; W23-W131 AromaticContact CG-CZ2 3.55Å; W23-W131 HydrophobicContact CG-CZ2 3.55Å; W23-W131 HydrophobicContact CH2-CZ2 4.36Å; W23-W131 AromaticContact CZ3-CH2 3.52Å; W23-W131 HydrophobicContact CZ3-CH2 3.52Å; W23-W131 AromaticContact CZ3-CZ2 3.5Å; W23-W131 HydrophobicContact CZ3-CZ2 3.5Å; W23-W131 HydrophobicContact CZ3-CZ3 4.48Å; H27-W131 AromaticContact CD2-CH2 3.6Å; V127-W131 HydrophobicContact CG2-CE3 4.1Å; V127-W131 HydrophobicContact CG2-CZ3 4.05Å; G128-W131 WeakPolarHBondContact O-CA 3.29Å; G128-W131 PolarHBondContact O-N 3.2Å; S129-W131 VanDerWaalsContact C-N 3.3Å; W131-R193 HydrophobicContact CD2-CG 4.41Å; W131-R193 HydrophobicContact CE3-CG 3.64Å; W131-R193 HydrophobicContact CZ3-CG 4.15Å; W131-R193 PolarHBondContact O-NH2 2.91Å; W131-L196 HydrophobicContact CH2-CB 4.46Å; W131-L196 HydrophobicContact CH2-CD1 3.65Å; W131-L196 HydrophobicContact CZ3-CD1 3.47Å; W131-L196 VanDerWaalsContact CZ3-CD1 3.47Å
132R94.3Very high96.7Very high175 Ų17541.2 Ų41.266%0.6620%0.197SC*.  trans-79.6146.6-179.7-63-172.8-175.6169.1-2.5110.5V127 G128 D130 L134V127-R132 CarbonylContact C-O 3.52Å; V127-R132 VanDerWaalsContact CA-O 3.26Å; V127-R132 WeakPolarHBondContact CA-O 3.47Å; G128-R132 PolarHBondContact N-O 3.4Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.13Å; D130-R132 PolarHBondContact OD1-N 3.08Å; D130-R132 VanDerWaalsContact OD1-N 3.08Å; D130-R132 WeakPolarHBondContact OD2-CD 3.21Å; D130-R132 WeakPolarHBondContact OD2-CG 3.26Å; D130-R132 IonicContact OD2-CZ 2.64Å; D130-R132 IonicContact OD2-NE 3.69Å; D130-R132 PolarHBondContact OD2-NE 3.24Å; R132-L134 PolarHBondContact O-N 3.33Å
133F97.6Very high96.7Very high59 Ų5943.4 Ų43.426%0.25921%0.209SC..EExtended strand (participates in β ladder)trans-55.3128.5171.1176.1-97.2000110C125 R135 L154 L184 E185 V189C125-F133 HydrophobicContact CB-CD2 4.44Å; C125-F133 HydrophobicContact CB-CE2 4.18Å; F133-R135 VanDerWaalsContact CE2-C 3.43Å; F133-R135 WeakPolarHBondContact CE2-O 3.43Å; F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.66Å; F133-L184 WeakPolarHBondContact CD2-O 3.13Å; F133-L184 HydrophobicContact CE2-CB 4.3Å; F133-L184 WeakPolarHBondContact CE2-O 3.03Å; F133-E185 HydrophobicContact CD1-CG 4.18Å; F133-E185 HydrophobicContact CE1-CG 4.11Å; F133-E185 HydrophobicContact CE2-CG 4.45Å; F133-E185 HydrophobicContact CG-CG 4.37Å; F133-E185 HydrophobicContact CZ-CG 4.25Å; F133-V189 HydrophobicContact CB-CG2 4.18Å; F133-V189 HydrophobicContact CD2-CG2 3.86Å
134L97.1Very high96.6Very high106 Ų10645.6 Ų45.656%0.55524%0.236SC*.EExtended strand (participates in β ladder)trans-107.5-48.2175.2-66.8-178.8000111.6D126 G128 R132D126-L134 HydrophobicContact CB-CB 4.46Å; D126-L134 PolarHBondContact O-N 2.88Å; G128-L134 VanDerWaalsContact CA-CD1 3.44Å; R132-L134 PolarHBondContact O-N 3.33Å
135R97.9Very high96.6Very high88 Ų8853.3 Ų53.333%0.33227%0.269SS..EExtended strand (participates in β ladder)trans-154.2146.4-172.5-173.9164.1174.8132.49.6111.9C125 D126 F133 Y137 E152C125-R135 CarbonylContact C-O 3.52Å; C125-R135 VanDerWaalsContact CA-O 3.26Å; C125-R135 WeakPolarHBondContact CA-O 3.47Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 2.84Å; D126-R135 PolarHBondContact O-N 2.81Å; F133-R135 VanDerWaalsContact CE2-C 3.43Å; F133-R135 WeakPolarHBondContact CE2-O 3.43Å; R135-Y137 HydrophobicContact CB-CE2 4.14Å; R135-Y137 VanDerWaalsContact CD-CZ 3.43Å; R135-Y137 WeakPolarHBondContact CD-OH 3.48Å; R135-Y137 HydrophobicContact CG-CD2 4.41Å; R135-Y137 HydrophobicContact CG-CE1 4.19Å; R135-Y137 HydrophobicContact CG-CE2 3.7Å; R135-Y137 PolarHBondContact NE-OH 2.91Å; R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 VanDerWaalsContact CZ-CG 3.43Å; R135-E152 IonicContact CZ-OE1 3.44Å; R135-E152 IonicContact NH1-OE1 3.05Å; R135-E152 PolarHBondContact NH1-OE1 3.44Å; R135-E152 IonicContact NH1-OE2 2.97Å; R135-E152 IonicContact NH2-OE1 2.85Å; R135-E152 PolarHBondContact NH2-OE1 2.89Å
136G98.5Very high96.6Very high5 Ų559.4 Ų59.45%0.05230%0.302CS..EExtended strand (participates in β ladder)trans-121.4151.5174.600000110.7G124G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.15Å
137Y98.8Very high96.6Very high38 Ų3858.7 Ų58.715%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-132.5138.1-178.6-55.7-96.4000109.7R30 M122 Y123 G124 D126 R135R30-Y137 VanDerWaalsContact CZ-CE2 3.44Å; R30-Y137 PolarHBondContact NH2-OH 2.96Å; R30-Y137 VanDerWaalsContact NH2-OH 3.11Å; M122-Y137 HydrophobicContact CE-CD1 3.92Å; M122-Y137 HydrophobicContact CE-CG 3.99Å; M122-Y137 HydrophobicContact SD-CG 4.41Å; Y123-Y137 WeakPolarHBondContact CA-O 3.2Å; Y123-Y137 WeakPolarHBondContact CB-O 3.42Å; G124-Y137 PolarHBondContact N-O 3.36Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 WeakPolarHBondContact O-CD2 3.36Å; G124-Y137 PolarHBondContact O-N 3.04Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.26Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.31Å; D126-Y137 PolarHBondContact OD2-OH 3.26Å; R135-Y137 HydrophobicContact CB-CE2 4.14Å; R135-Y137 VanDerWaalsContact CD-CZ 3.43Å; R135-Y137 WeakPolarHBondContact CD-OH 3.48Å; R135-Y137 HydrophobicContact CG-CD2 4.41Å; R135-Y137 HydrophobicContact CG-CE1 4.19Å; R135-Y137 HydrophobicContact CG-CE2 3.7Å; R135-Y137 PolarHBondContact NE-OH 2.91Å
138H98.7Very high96.7Very high2 Ų258.8 Ų58.81%0.00930%0.298CS..EExtended strand (participates in β ladder)trans-156.1103.9167.1-175.380.9000108.6R121 M122 Y140 L150 W157 W171 W180R121-H138 PolarHBondContact NE-CE1 3.01Å; R121-H138 VanDerWaalsContact NE-CE1 3.28Å; M122-H138 WeakPolarHBondContact O-CA 3.46Å; H138-Y140 AromaticContact CE1-CE2 3.76Å; H138-Y140 AromaticContact NE2-CE2 3.4Å; H138-Y140 WeakPolarHBondContact NE2-CE2 3.49Å; H138-L150 HydrophobicContact CB-CB 3.99Å; H138-L150 HydrophobicContact CB-CD2 4.17Å; H138-L150 WeakPolarHBondContact O-CB 3.38Å; H138-L150 PolarHBondContact O-N 3.34Å; H138-W157 AromaticContact CD2-CH2 3.51Å; H138-W157 AromaticContact CD2-CZ3 3.67Å; H138-W171 AromaticContact NE2-CH2 3.9Å; H138-W180 HydrophobicContact CB-CD2 4.34Å; H138-W180 HydrophobicContact CB-CE3 4.42Å; H138-W180 HydrophobicContact CB-CG 4.49Å; H138-W180 AromaticContact CD2-NE1 3.89Å; H138-W180 AromaticContact CE1-CD2 3.64Å; H138-W180 AromaticContact CE1-CE2 3.07Å; H138-W180 AromaticContact CE1-CH2 3.89Å; H138-W180 AromaticContact CE1-CZ2 3.22Å; H138-W180 WeakPolarHBondContact CE1-CZ2 3.38Å; H138-W180 AromaticContact CE1-NE1 3.35Å; H138-W180 PolarHBondContact CE1-NE1 3.2Å; H138-W180 VanDerWaalsContact CE1-NE1 3.35Å; H138-W180 AromaticContact CG-CD2 3.75Å; H138-W180 AromaticContact CG-CE2 3.97Å; H138-W180 AromaticContact ND1-CD2 3.37Å; H138-W180 AromaticContact ND1-CE2 3.33Å; H138-W180 VanDerWaalsContact ND1-CE2 3.33Å; H138-W180 AromaticContact ND1-CE3 3.54Å; H138-W180 AromaticContact ND1-CH2 3.85Å; H138-W180 AromaticContact ND1-CZ2 3.58Å; H138-W180 AromaticContact ND1-CZ3 3.76Å; H138-W180 AromaticContact ND1-NE1 3.86Å; H138-W180 AromaticContact NE2-CD1 3.93Å; H138-W180 AromaticContact NE2-CE2 3.59Å; H138-W180 AromaticContact NE2-NE1 3.34Å; H138-W180 PolarHBondContact NE2-NE1 3.39Å
139Q98.7Very high96.9Very high75 Ų7560 Ų6035%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-141.1148-173.866.2-16947.700111.8R121 M122 I148 A149R121-Q139 CarbonylContact C-O 3.57Å; R121-Q139 VanDerWaalsContact CA-O 3.29Å; R121-Q139 WeakPolarHBondContact CA-O 3.34Å; M122-Q139 HydrophobicContact CB-CG 3.95Å; M122-Q139 VanDerWaalsContact CE-CD 3.42Å; M122-Q139 HydrophobicContact CE-CG 3.96Å; M122-Q139 PolarHBondContact N-O 2.96Å; M122-Q139 PolarHBondContact O-N 3.5Å; Q139-I148 CarbonylContact C-O 3.59Å; Q139-I148 WeakPolarHBondContact CA-O 3.47Å; Q139-A149 HydrophobicContact CB-CB 3.8Å
140Y98.8Very high97.3Very high19 Ų1956.9 Ų56.98%0.07529%0.285CS..EExtended strand (participates in β ladder)trans-120.7144.9176.4-77.8-102.7000110.5L119 Q120 R121 H138 Y147 I148 W171L119-Y140 HydrophobicContact CD1-CD1 3.77Å; L119-Y140 HydrophobicContact CD1-CE1 4.47Å; L119-Y140 HydrophobicContact CG-CD1 4.32Å; Q120-Y140 CarbonylContact O-C 3.47Å; Q120-Y140 VanDerWaalsContact O-CA 3.26Å; Q120-Y140 WeakPolarHBondContact O-CA 3.34Å; R121-Y140 HydrophobicContact CB-CD1 3.91Å; R121-Y140 HydrophobicContact CB-CE1 3.82Å; R121-Y140 HydrophobicContact CB-CE2 4.46Å; R121-Y140 HydrophobicContact CB-CG 4.34Å; R121-Y140 VanDerWaalsContact CD-CZ 3.43Å; R121-Y140 WeakPolarHBondContact CD-OH 3.43Å; R121-Y140 HydrophobicContact CG-CD1 4.25Å; R121-Y140 HydrophobicContact CG-CD2 4.13Å; R121-Y140 HydrophobicContact CG-CE1 3.97Å; R121-Y140 HydrophobicContact CG-CE2 3.78Å; R121-Y140 HydrophobicContact CG-CG 4.37Å; R121-Y140 PolarHBondContact NH1-OH 3.18Å; H138-Y140 AromaticContact CE1-CE2 3.76Å; H138-Y140 AromaticContact NE2-CE2 3.4Å; H138-Y140 WeakPolarHBondContact NE2-CE2 3.49Å; Y140-Y147 WeakPolarHBondContact O-CB 3.13Å; Y140-Y147 PolarHBondContact O-N 3.21Å; Y140-I148 HydrophobicContact CD2-CG2 4.39Å; Y140-I148 PolarHBondContact N-O 3.46Å; Y140-I148 PolarHBondContact O-N 3.46Å; Y140-W171 AromaticContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CH2 3.83Å; Y140-W171 AromaticContact CE2-CH2 3.56Å; Y140-W171 HydrophobicContact CE2-CH2 3.56Å; Y140-W171 HydrophobicContact CE2-CZ2 4.34Å
141A98.8Very high97.8Very high17 Ų1757 Ų5714%0.1428%0.281CS..EExtended strand (participates in β ladder)trans-127.8145.2169.700000109.8Q120 K145Q120-A141 HydrophobicContact CB-CB 4.3Å; Q120-A141 PolarHBondContact N-O 3.24Å; Q120-A141 PolarHBondContact O-N 3.14Å; A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.24Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å
142Y98.8Very high98.2Very high10 Ų1061.5 Ų61.54%0.03930%0.304CS..EExtended strand (participates in β ladder)trans-128.2127.3178.7-172.9-119.7000109.9L102 L105 Y109 Q111 H117 T118 L119 G144 K145L102-Y142 HydrophobicContact CD2-CE2 4.05Å; L105-Y142 HydrophobicContact CB-CD1 4.38Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; L105-Y142 HydrophobicContact CD1-CE2 3.9Å; L105-Y142 HydrophobicContact CD1-CG 4Å; L105-Y142 HydrophobicContact CG-CD2 4.44Å; L105-Y142 HydrophobicContact CG-CE2 4.5Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.42Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Q111-Y142 PolarHBondContact OE1-OH 3.4Å; H117-Y142 HydrophobicContact CB-CE2 3.86Å; H117-Y142 WeakPolarHBondContact CB-OH 3.25Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 PolarHBondContact ND1-OH 3.4Å; T118-Y142 WeakPolarHBondContact O-CA 3.34Å; T118-Y142 WeakPolarHBondContact O-CD2 3.48Å; L119-Y142 HydrophobicContact CB-CD2 4.44Å; L119-Y142 HydrophobicContact CD1-CD2 4.43Å; Y142-G144 PolarHBondContact O-N 2.86Å; Y142-K145 PolarHBondContact N-O 3.2Å; Y142-K145 PolarHBondContact O-N 2.85Å
143D98.4Very high98.4Very high64 Ų6456.8 Ų56.834%0.34229%0.292SS..THydrogen-bonded Turntrans49.540.3-174.8-65.7-22000113.3Q111 H117 T118 K145Q111-D143 PolarHBondContact NE2-OD2 2.84Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 IonicContact CE1-OD2 2.75Å; H117-D143 IonicContact CG-OD1 3.68Å; H117-D143 IonicContact CG-OD2 3.93Å; H117-D143 IonicContact ND1-OD1 3.29Å; H117-D143 IonicContact ND1-OD2 3.15Å; H117-D143 PolarHBondContact ND1-OD2 3.36Å; T118-D143 PolarHBondContact N-OD1 2.89Å; T118-D143 PolarHBondContact O-N 2.92Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 2.94Å
144G97.5Very high98.5Very high60 Ų6054.2 Ų54.262%0.61928%0.281SS*.THydrogen-bonded Turntrans78.15.6177.500000115.2Y142Y142-G144 PolarHBondContact O-N 2.86Å
145K98.5Very high98.5Very high163 Ų16357.4 Ų57.471%0.70929%0.285SS*.EExtended strand (participates in β ladder)trans-111.9147.3176.4-62.8179.4-178.1177.10110.7A141 Y142 D143 Y147A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.24Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å; Y142-K145 PolarHBondContact N-O 3.2Å; Y142-K145 PolarHBondContact O-N 2.85Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 2.94Å; K145-Y147 PolarHBondContact O-N 2.8Å
146D98.7Very high98.5Very high128 Ų12854.4 Ų54.468%0.68428%0.278SS*.EExtended strand (participates in β ladder)trans-54.9138.4172.8-69.4-18.2000110.5A160D146-A160 HydrophobicContact CB-CB 4.3Å; D146-A160 WeakPolarHBondContact O-CB 3.49Å
147Y98.8Very high98.5Very high9 Ų954.2 Ų54.24%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-115-66.8178.1-179.6-117.5000110.7L105 Y109 Y140 K145 A160 A163 A164 T167L105-Y147 HydrophobicContact CD2-CD1 4.24Å; L105-Y147 HydrophobicContact CD2-CD2 4.28Å; L105-Y147 HydrophobicContact CD2-CE1 3.64Å; L105-Y147 HydrophobicContact CD2-CE2 3.67Å; Y109-Y147 HydrophobicContact CE2-CD2 4.49Å; Y109-Y147 HydrophobicContact CE2-CE2 4.22Å; Y109-Y147 WeakPolarHBondContact OH-CD2 2.96Å; Y109-Y147 VanDerWaalsContact OH-CE2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.18Å; Y140-Y147 WeakPolarHBondContact O-CB 3.13Å; Y140-Y147 PolarHBondContact O-N 3.21Å; K145-Y147 PolarHBondContact O-N 2.8Å; Y147-A160 WeakPolarHBondContact O-CB 3.12Å; Y147-A160 PolarHBondContact O-N 3.49Å; Y147-A163 HydrophobicContact CE2-CB 4.36Å; Y147-A163 PolarHBondContact OH-O 3.4Å; Y147-A163 VanDerWaalsContact OH-O 3.1Å; Y147-A164 HydrophobicContact CD2-CB 3.72Å; Y147-A164 VanDerWaalsContact CE2-CA 3.41Å; Y147-A164 HydrophobicContact CE2-CB 3.58Å; Y147-A164 HydrophobicContact CG-CB 4.34Å; Y147-A164 WeakPolarHBondContact O-CB 3.28Å; Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 WeakPolarHBondContact OH-CB 3.46Å; Y147-T167 PolarHBondContact OH-OG1 3.38Å
148I98.9Very high98.5Very high3 Ų356 Ų562%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-147.2140178.6-165.3173.8000110.3Q139 Y140 W157 T158 T167 K168 W171Q139-I148 CarbonylContact C-O 3.59Å; Q139-I148 WeakPolarHBondContact CA-O 3.47Å; Y140-I148 HydrophobicContact CD2-CG2 4.39Å; Y140-I148 PolarHBondContact N-O 3.46Å; Y140-I148 PolarHBondContact O-N 3.46Å; I148-W157 HydrophobicContact CD1-CB 4.24Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.01Å; I148-T158 CarbonylContact C-O 3.56Å; I148-T158 WeakPolarHBondContact CA-O 3.36Å; I148-T158 WeakPolarHBondContact CG1-O 3.44Å; I148-T167 HydrophobicContact CD1-CG2 4.04Å; I148-K168 HydrophobicContact CD1-CB 3.85Å; I148-W171 HydrophobicContact CD1-CE3 4Å; I148-W171 HydrophobicContact CD1-CZ3 4.25Å; I148-W171 HydrophobicContact CG2-CH2 4.06Å; I148-W171 HydrophobicContact CG2-CZ3 3.84Å
149A98.9Very high98.5Very high31 Ų3156.8 Ų56.826%0.25630%0.297SS..EExtended strand (participates in β ladder)trans-137.3137-179.800000111.8Q139 W157 T158Q139-A149 HydrophobicContact CB-CB 3.8Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.38Å
150L98.9Very high98.5Very high14 Ų1456 Ų567%0.07330%0.304CS..EExtended strand (participates in β ladder)trans-68.9129.7169.4-17464.1000108.6H138 L154 W157 A177 W180 L184H138-L150 HydrophobicContact CB-CB 3.99Å; H138-L150 HydrophobicContact CB-CD2 4.17Å; H138-L150 WeakPolarHBondContact O-CB 3.38Å; H138-L150 PolarHBondContact O-N 3.34Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; L150-W157 HydrophobicContact CB-CE3 3.99Å; L150-W157 HydrophobicContact CB-CH2 3.99Å; L150-W157 HydrophobicContact CB-CZ3 3.58Å; L150-W157 HydrophobicContact CD1-CD2 4.16Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 3.97Å; L150-W157 HydrophobicContact CD1-CZ2 3.86Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CH2 4.45Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; L150-A177 HydrophobicContact CD1-CB 3.87Å; L150-W180 HydrophobicContact CD2-CB 4.09Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å
151K98.7Very high98.5Very high87 Ų8758 Ų5838%0.37832%0.316SS..  trans-74.5166.3177.3-62.7-163.6-154.8161.70111.2D153 L154 S156 T158K151-D153 PolarHBondContact O-N 3.24Å; K151-D153 VanDerWaalsContact O-N 3.14Å; K151-L154 PolarHBondContact O-N 3.28Å; K151-S156 WeakPolarHBondContact CB-O 3.36Å; K151-S156 VanDerWaalsContact CD-OG 3.23Å; K151-S156 WeakPolarHBondContact CD-OG 3.43Å; K151-S156 WeakPolarHBondContact CE-OG 3.4Å; K151-S156 WeakPolarHBondContact CG-O 3.03Å; K151-S156 PolarHBondContact N-O 3.35Å; K151-S156 PolarHBondContact NZ-OG 3.23Å; K151-T158 VanDerWaalsContact CE-OG1 3.25Å; K151-T158 WeakPolarHBondContact CE-OG1 3.22Å; K151-T158 WeakPolarHBondContact CG-OG1 3.4Å
152E97.9Very high98.4Very high138 Ų13864.6 Ų64.665%0.64535%0.345SS*.THydrogen-bonded Turntrans-59-24.8178.9-66.5176.3-159.400113.6R135 L154R135-E152 VanDerWaalsContact CZ-CD 3.44Å; R135-E152 VanDerWaalsContact CZ-CG 3.43Å; R135-E152 IonicContact CZ-OE1 3.44Å; R135-E152 IonicContact NH1-OE1 3.05Å; R135-E152 PolarHBondContact NH1-OE1 3.44Å; R135-E152 IonicContact NH1-OE2 2.97Å; R135-E152 IonicContact NH2-OE1 2.85Å; R135-E152 PolarHBondContact NH2-OE1 2.89Å; E152-L154 PolarHBondContact O-N 2.84Å
153D98Very high98.3Very high77 Ų7764.8 Ų64.841%0.41235%0.349SS..THydrogen-bonded Turntrans-69.3-9.8174.86614.2000113.8K151 R155 S156K151-D153 PolarHBondContact O-N 3.24Å; K151-D153 VanDerWaalsContact O-N 3.14Å; D153-R155 WeakPolarHBondContact O-CG 3.47Å; D153-R155 PolarHBondContact O-N 3.41Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 3.01Å; D153-S156 PolarHBondContact OD1-N 3.42Å; D153-S156 PolarHBondContact OD1-OG 3.39Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
154L98.4Very high98.3Very high4 Ų461.7 Ų61.72%0.02133%0.333CS..SBendtrans52.626.8-174.7-52-179.6000114F133 L150 K151 E152 R181 L184 E185F133-L154 HydrophobicContact CE1-CD1 3.9Å; F133-L154 HydrophobicContact CZ-CD1 3.66Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.28Å; K151-L154 PolarHBondContact O-N 3.28Å; E152-L154 PolarHBondContact O-N 2.84Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.95Å; L154-R181 HydrophobicContact CD1-CG 4Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L154-E185 HydrophobicContact CD1-CG 4.06Å
155R97.9Very high98.4Very high173 Ų17361.6 Ų61.665%0.65332%0.316SS*.SBendtrans-131.8-31.7-175.1-70.6171.8-171.1-140.94112.3D153D153-R155 WeakPolarHBondContact O-CG 3.47Å; D153-R155 PolarHBondContact O-N 3.41Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 3.01Å
156S97.9Very high98.4Very high26 Ų2656.8 Ų56.818%0.18230%0.3CS..  trans-120.6160.9-175.873.90000112.5K151 D153K151-S156 WeakPolarHBondContact CB-O 3.36Å; K151-S156 VanDerWaalsContact CD-OG 3.23Å; K151-S156 WeakPolarHBondContact CD-OG 3.43Å; K151-S156 WeakPolarHBondContact CE-OG 3.4Å; K151-S156 WeakPolarHBondContact CG-O 3.03Å; K151-S156 PolarHBondContact N-O 3.35Å; K151-S156 PolarHBondContact NZ-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.42Å; D153-S156 PolarHBondContact OD1-OG 3.39Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
157W98.8Very high98.3Very high1 Ų151.5 Ų51.50%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-116.4141.7-175.5-6092.7000111.7H138 I148 A149 L150 K168 W171 V176 A177H138-W157 AromaticContact CD2-CH2 3.51Å; H138-W157 AromaticContact CD2-CZ3 3.67Å; I148-W157 HydrophobicContact CD1-CB 4.24Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.01Å; A149-W157 WeakPolarHBondContact O-CA 3.48Å; L150-W157 HydrophobicContact CB-CE3 3.99Å; L150-W157 HydrophobicContact CB-CH2 3.99Å; L150-W157 HydrophobicContact CB-CZ3 3.58Å; L150-W157 HydrophobicContact CD1-CD2 4.16Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 3.97Å; L150-W157 HydrophobicContact CD1-CZ2 3.86Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-W157 HydrophobicContact CG-CH2 4.45Å; L150-W157 HydrophobicContact CG-CZ3 4.44Å; W157-K168 HydrophobicContact CB-CD 4.11Å; W157-K168 HydrophobicContact CB-CG 4Å; W157-K168 PolarHBondContact O-NZ 3.14Å; W157-W171 AromaticContact CD2-CE3 3.93Å; W157-W171 HydrophobicContact CD2-CE3 3.93Å; W157-W171 HydrophobicContact CD2-CZ3 4.48Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.88Å; W157-W171 HydrophobicContact CE3-CZ3 3.88Å; W157-W171 AromaticContact CH2-CE3 3.37Å; W157-W171 HydrophobicContact CH2-CE3 3.37Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CE3 3.53Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-V176 HydrophobicContact CH2-CG1 4.46Å; W157-V176 HydrophobicContact CZ2-CB 4.33Å; W157-V176 HydrophobicContact CZ2-CG1 4.02Å; W157-A177 HydrophobicContact CZ2-CB 4.15Å
158T98.8Very high98.3Very high76 Ų7653 Ų5347%0.46628%0.28SS..EExtended strand (participates in β ladder)trans-99122.2163.6-61.30000108.2I148 A149 K151I148-T158 CarbonylContact C-O 3.56Å; I148-T158 WeakPolarHBondContact CA-O 3.36Å; I148-T158 WeakPolarHBondContact CG1-O 3.44Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.38Å; K151-T158 VanDerWaalsContact CE-OG1 3.25Å; K151-T158 WeakPolarHBondContact CE-OG1 3.22Å; K151-T158 WeakPolarHBondContact CG-OG1 3.4Å
159A98.7Very high98.3Very high17 Ų1758.4 Ų58.414%0.1430%0.304CS..EExtended strand (participates in β ladder)trans-107.8133.4175.300000108.9A164 Q165 K168A159-A164 HydrophobicContact CB-CB 3.66Å; A159-Q165 HydrophobicContact CB-CG 4.36Å; A159-K168 HydrophobicContact CB-CB 4.25Å; A159-K168 HydrophobicContact CB-CD 4.17Å
160A98.5Very high98.3Very high59 Ų5962.9 Ų62.949%0.48832%0.318SS..SBendtrans-77.3-31.5-172.900000113.4D146 Y147D146-A160 HydrophobicContact CB-CB 4.3Å; D146-A160 WeakPolarHBondContact O-CB 3.49Å; Y147-A160 WeakPolarHBondContact O-CB 3.12Å; Y147-A160 PolarHBondContact O-N 3.49Å
161D98.3Very high98.3Very high61 Ų6164.8 Ų64.833%0.32632%0.324SS..SBendtrans-151.7-174.4-178.565.323.4000112.7Y109 A163 A164 Q165Y109-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 PolarHBondContact OH-OD1 3.48Å; Y109-D161 PolarHBondContact OH-OD2 3.25Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.35Å; D161-A163 WeakPolarHBondContact OD1-CB 3.41Å; D161-A163 PolarHBondContact OD1-N 2.92Å; D161-A164 WeakPolarHBondContact O-CB 3.35Å; D161-A164 PolarHBondContact O-N 3.26Å; D161-A164 PolarHBondContact OD1-N 3.25Å; D161-Q165 WeakPolarHBondContact O-CG 3.41Å; D161-Q165 PolarHBondContact O-N 3.08Å
162M97.4Very high98.3Very high155 Ų15564.3 Ų64.376%0.76432%0.323SS*.Hα-helixtrans-63.8-34-178.3-67.1-56.2-61.100113.6A164 Q165 T166M162-A164 VanDerWaalsContact C-N 3.35Å; M162-Q165 PolarHBondContact O-N 3.04Å; M162-T166 PolarHBondContact O-N 3.49Å
163A97.2Very high98.3Very high14 Ų1461.6 Ų61.612%0.11632%0.324CS..Hα-helixtrans-68.3-39.2175.500000110.5Y109 Y147 D161 Q165 T166Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 4.04Å; Y147-A163 HydrophobicContact CE2-CB 4.36Å; Y147-A163 PolarHBondContact OH-O 3.4Å; Y147-A163 VanDerWaalsContact OH-O 3.1Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.35Å; D161-A163 WeakPolarHBondContact OD1-CB 3.41Å; D161-A163 PolarHBondContact OD1-N 2.92Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; A163-T166 WeakPolarHBondContact O-CB 3.21Å; A163-T166 PolarHBondContact O-N 2.85Å
164A98.5Very high98.3Very high0 Ų060.5 Ų60.50%033%0.327CS..Hα-helixtrans-66.7-32.5173.500000113.2Y147 A159 D161 M162 T166 T167 K168Y147-A164 HydrophobicContact CD2-CB 3.72Å; Y147-A164 VanDerWaalsContact CE2-CA 3.41Å; Y147-A164 HydrophobicContact CE2-CB 3.58Å; Y147-A164 HydrophobicContact CG-CB 4.34Å; Y147-A164 WeakPolarHBondContact O-CB 3.28Å; A159-A164 HydrophobicContact CB-CB 3.66Å; D161-A164 WeakPolarHBondContact O-CB 3.35Å; D161-A164 PolarHBondContact O-N 3.26Å; D161-A164 PolarHBondContact OD1-N 3.25Å; M162-A164 VanDerWaalsContact C-N 3.35Å; A164-T166 PolarHBondContact O-N 2.85Å; A164-T167 PolarHBondContact O-N 3.19Å; A164-T167 VanDerWaalsContact O-N 3.15Å; A164-K168 PolarHBondContact O-N 3.37Å
165Q98.6Very high98.3Very high57 Ų5765.4 Ų65.427%0.26635%0.349SS..Hα-helixtrans-59.5-36174.2-67-62-19.600111.9A159 D161 M162 A163 T167 K168 H169A159-Q165 HydrophobicContact CB-CG 4.36Å; D161-Q165 WeakPolarHBondContact O-CG 3.41Å; D161-Q165 PolarHBondContact O-N 3.08Å; M162-Q165 PolarHBondContact O-N 3.04Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-T167 PolarHBondContact O-N 3.16Å; Q165-K168 PolarHBondContact O-N 3.26Å; Q165-H169 PolarHBondContact O-CD2 3.27Å; Q165-H169 PolarHBondContact O-N 3.29Å
166T97.8Very high98.3Very high62 Ų6258.1 Ų58.138%0.3832%0.324SS..Hα-helixtrans-62.6-42.7176.4-61.20000111.4Y108 M162 A163 A164 K170Y108-T166 HydrophobicContact CE1-CG2 4.2Å; Y108-T166 HydrophobicContact CE2-CG2 4.23Å; M162-T166 PolarHBondContact O-N 3.49Å; A163-T166 WeakPolarHBondContact O-CB 3.21Å; A163-T166 PolarHBondContact O-N 2.85Å; A164-T166 PolarHBondContact O-N 2.85Å; T166-K170 WeakPolarHBondContact O-CG 3.41Å; T166-K170 PolarHBondContact O-N 3.44Å
167T98.3Very high98.3Very high17 Ų1757.2 Ų57.210%0.10432%0.318CS..Hα-helixtrans-67.2-43.2175-66.80000111.7Y147 I148 A164 Q165 H169 K170 W171Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 WeakPolarHBondContact OH-CB 3.46Å; Y147-T167 PolarHBondContact OH-OG1 3.38Å; I148-T167 HydrophobicContact CD1-CG2 4.04Å; A164-T167 PolarHBondContact O-N 3.19Å; A164-T167 VanDerWaalsContact O-N 3.15Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-T167 PolarHBondContact O-N 3.16Å; T167-H169 PolarHBondContact O-N 3Å; T167-K170 PolarHBondContact O-N 2.85Å; T167-W171 HydrophobicContact CG2-CD2 3.91Å; T167-W171 HydrophobicContact CG2-CE3 4.43Å; T167-W171 HydrophobicContact CG2-CG 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 4.01Å; T167-W171 WeakPolarHBondContact O-CB 3.25Å; T167-W171 PolarHBondContact O-N 3.12Å
168K98.8Very high98.3Very high42 Ų4263.1 Ų63.118%0.18335%0.345CS..Hα-helixtrans-53.7-51.2176.2173.2173.7173-1740111.8I148 W157 A159 A164 Q165 K170 W171 E172I148-K168 HydrophobicContact CD1-CB 3.85Å; W157-K168 HydrophobicContact CB-CD 4.11Å; W157-K168 HydrophobicContact CB-CG 4Å; W157-K168 PolarHBondContact O-NZ 3.14Å; A159-K168 HydrophobicContact CB-CB 4.25Å; A159-K168 HydrophobicContact CB-CD 4.17Å; A164-K168 PolarHBondContact O-N 3.37Å; Q165-K168 PolarHBondContact O-N 3.26Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.05Å; K168-W171 PolarHBondContact O-N 2.89Å; K168-W171 VanDerWaalsContact O-N 3.16Å; K168-E172 WeakPolarHBondContact CE-OE1 3.44Å; K168-E172 HydrophobicContact CG-CG 4.29Å; K168-E172 IonicContact NZ-OE1 2.62Å; K168-E172 WeakPolarHBondContact O-CB 3.44Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 3.25Å
169H98.6Very high98.3Very high116 Ų11665.7 Ų65.754%0.53735%0.352SS..Hα-helixtrans-60.7-40.2179.7-69.1-43.6000112.9Q165 T167 E172 A173Q165-H169 PolarHBondContact O-CD2 3.27Å; Q165-H169 PolarHBondContact O-N 3.29Å; T167-H169 PolarHBondContact O-N 3Å; H169-E172 IonicContact ND1-OE2 3.69Å; H169-A173 WeakPolarHBondContact O-CB 3.45Å; H169-A173 PolarHBondContact O-N 3.44Å
170K98.1Very high98.2Very high125 Ų12567 Ų6754%0.54335%0.353SS..Hα-helixtrans-63.3-43.5175.3-71.9177.2176-178.80111.8Y108 T166 T167 K168 A174Y108-K170 PolarHBondContact OH-NZ 3.15Å; T166-K170 WeakPolarHBondContact O-CG 3.41Å; T166-K170 PolarHBondContact O-N 3.44Å; T167-K170 PolarHBondContact O-N 2.85Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 3.05Å; K170-A174 WeakPolarHBondContact O-CB 3.23Å; K170-A174 PolarHBondContact O-N 2.75Å
171W98.5Very high98.3Very high54 Ų5468 Ų6821%0.20535%0.345CS..Hα-helixtrans-71.6-35.4-178.5-77.311.9000113.1H138 Y140 I148 W157 T167 K168 A174 H175 V176H138-W171 AromaticContact NE2-CH2 3.9Å; Y140-W171 AromaticContact CD2-CH2 3.83Å; Y140-W171 HydrophobicContact CD2-CH2 3.83Å; Y140-W171 AromaticContact CE2-CH2 3.56Å; Y140-W171 HydrophobicContact CE2-CH2 3.56Å; Y140-W171 HydrophobicContact CE2-CZ2 4.34Å; I148-W171 HydrophobicContact CD1-CE3 4Å; I148-W171 HydrophobicContact CD1-CZ3 4.25Å; I148-W171 HydrophobicContact CG2-CH2 4.06Å; I148-W171 HydrophobicContact CG2-CZ3 3.84Å; W157-W171 AromaticContact CD2-CE3 3.93Å; W157-W171 HydrophobicContact CD2-CE3 3.93Å; W157-W171 HydrophobicContact CD2-CZ3 4.48Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.79Å; W157-W171 HydrophobicContact CE3-CE3 3.79Å; W157-W171 AromaticContact CE3-CZ3 3.88Å; W157-W171 HydrophobicContact CE3-CZ3 3.88Å; W157-W171 AromaticContact CH2-CE3 3.37Å; W157-W171 HydrophobicContact CH2-CE3 3.37Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.43Å; W157-W171 AromaticContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.49Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CE3 3.53Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.91Å; T167-W171 HydrophobicContact CG2-CE3 4.43Å; T167-W171 HydrophobicContact CG2-CG 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 4.01Å; T167-W171 WeakPolarHBondContact O-CB 3.25Å; T167-W171 PolarHBondContact O-N 3.12Å; K168-W171 PolarHBondContact O-N 2.89Å; K168-W171 VanDerWaalsContact O-N 3.16Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.85Å; W171-H175 PolarHBondContact O-N 3.33Å; W171-H175 VanDerWaalsContact O-N 3.08Å; W171-V176 HydrophobicContact CB-CB 3.93Å; W171-V176 HydrophobicContact CB-CG2 3.98Å; W171-V176 HydrophobicContact CD2-CB 4.44Å; W171-V176 HydrophobicContact CD2-CG1 4.09Å; W171-V176 HydrophobicContact CE3-CG1 4.31Å; W171-V176 HydrophobicContact CG-CB 4.06Å; W171-V176 HydrophobicContact CG-CG1 4.22Å; W171-V176 HydrophobicContact CG-CG2 3.93Å; W171-V176 PolarHBondContact O-N 3.46Å
172E98.6Very high98.3Very high76 Ų7668.3 Ų68.336%0.35536%0.356SS..Hα-helixtrans-65-47.3172.3-73.2174.2159.800110.8K168 H169 A174 H175K168-E172 WeakPolarHBondContact CE-OE1 3.44Å; K168-E172 HydrophobicContact CG-CG 4.29Å; K168-E172 IonicContact NZ-OE1 2.62Å; K168-E172 WeakPolarHBondContact O-CB 3.44Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 3.25Å; H169-E172 IonicContact ND1-OE2 3.69Å; E172-A174 PolarHBondContact O-N 2.65Å; E172-H175 PolarHBondContact O-N 3.33Å; E172-H175 VanDerWaalsContact O-N 3.13Å
173A98.4Very high98.3Very high81 Ų8163.6 Ų63.667%0.66933%0.33SS*.Hα-helixtrans-62.6-30.2176.900000113.2H169H169-A173 WeakPolarHBondContact O-CB 3.45Å; H169-A173 PolarHBondContact O-N 3.44Å
174A98.3Very high98.4Very high55 Ų5562.9 Ų62.946%0.45532%0.324SS..THydrogen-bonded Turntrans-94.57.5178.300000113.9K170 W171 E172 V176K170-A174 WeakPolarHBondContact O-CB 3.23Å; K170-A174 PolarHBondContact O-N 2.75Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.85Å; E172-A174 PolarHBondContact O-N 2.65Å; A174-V176 HydrophobicContact CB-CG2 3.97Å; A174-V176 PolarHBondContact O-N 2.85Å; A174-V176 VanDerWaalsContact O-N 3.16Å
175H97.9Very high98.4Very high107 Ų10766.7 Ų66.750%0.49534%0.342SS..THydrogen-bonded Turntrans52.835.6179.5-62.3-91.9000113.9W171 E172 A177 E178W171-H175 PolarHBondContact O-N 3.33Å; W171-H175 VanDerWaalsContact O-N 3.08Å; E172-H175 PolarHBondContact O-N 3.33Å; E172-H175 VanDerWaalsContact O-N 3.13Å; H175-A177 PolarHBondContact O-N 3.36Å; H175-E178 HydrophobicContact CB-CG 4.46Å; H175-E178 IonicContact CE1-OE1 2.9Å; H175-E178 IonicContact CG-OE1 3.82Å; H175-E178 IonicContact ND1-OE1 3.72Å; H175-E178 PolarHBondContact ND1-OE1 2.96Å; H175-E178 PolarHBondContact O-N 2.84Å; H175-E178 VanDerWaalsContact O-N 3.11Å
176V98.5Very high98.4Very high20 Ų2065 Ų6512%0.12134%0.34CS..Hα-helixtrans-62.8-31.3-175.1174.70000111.8W157 W171 A174 E178 Q179 W180W157-V176 HydrophobicContact CH2-CG1 4.46Å; W157-V176 HydrophobicContact CZ2-CB 4.33Å; W157-V176 HydrophobicContact CZ2-CG1 4.02Å; W171-V176 HydrophobicContact CB-CB 3.93Å; W171-V176 HydrophobicContact CB-CG2 3.98Å; W171-V176 HydrophobicContact CD2-CB 4.44Å; W171-V176 HydrophobicContact CD2-CG1 4.09Å; W171-V176 HydrophobicContact CE3-CG1 4.31Å; W171-V176 HydrophobicContact CG-CB 4.06Å; W171-V176 HydrophobicContact CG-CG1 4.22Å; W171-V176 HydrophobicContact CG-CG2 3.93Å; W171-V176 PolarHBondContact O-N 3.46Å; A174-V176 HydrophobicContact CB-CG2 3.97Å; A174-V176 PolarHBondContact O-N 2.85Å; A174-V176 VanDerWaalsContact O-N 3.16Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.2Å; V176-Q179 PolarHBondContact O-N 2.84Å; V176-W180 VanDerWaalsContact O-CD1 3.31Å; V176-W180 PolarHBondContact O-N 2.98Å; V176-W180 VanDerWaalsContact O-N 3.16Å
177A98.6Very high98.4Very high7 Ų764.8 Ų64.86%0.05834%0.338CS..Hα-helixtrans-60.4-37.9176.700000112.4L150 W157 H175 W180 R181L150-A177 HydrophobicContact CD1-CB 3.87Å; W157-A177 HydrophobicContact CZ2-CB 4.15Å; H175-A177 PolarHBondContact O-N 3.36Å; A177-W180 PolarHBondContact O-N 3.02Å; A177-R181 VanDerWaalsContact O-CB 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 3.34Å
178E98.3Very high98.4Very high124 Ų12464 Ų6458%0.57933%0.334SS*.Hα-helixtrans-67.5-38.8-179.2-64.2172.3-155.900111.6H175 V176 R181 A182H175-E178 HydrophobicContact CB-CG 4.46Å; H175-E178 IonicContact CE1-OE1 2.9Å; H175-E178 IonicContact CG-OE1 3.82Å; H175-E178 IonicContact ND1-OE1 3.72Å; H175-E178 PolarHBondContact ND1-OE1 2.96Å; H175-E178 PolarHBondContact O-N 2.84Å; H175-E178 VanDerWaalsContact O-N 3.11Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 3.2Å; E178-R181 PolarHBondContact O-N 3.25Å; E178-A182 PolarHBondContact O-N 3.28Å
179Q97.8Very high98.4Very high130 Ų13062.3 Ų62.361%0.60733%0.327SS*.Hα-helixtrans-63.7-44.7175.3-58.8176.825.900111.1V176 A182 Y183V176-Q179 PolarHBondContact O-N 2.84Å; Q179-A182 PolarHBondContact O-N 2.99Å; Q179-Y183 PolarHBondContact O-N 3.05Å
180W98.4Very high98.3Very high44 Ų4462.7 Ų62.717%0.16733%0.329CS..Hα-helixtrans-66.1-40.9176.4-82.3104.4000112.2Y123 H138 L150 V176 A177 A182 Y183 L184Y123-W180 AromaticContact CD2-CZ3 4Å; Y123-W180 HydrophobicContact CD2-CZ3 4Å; Y123-W180 HydrophobicContact CG-CZ3 4.23Å; H138-W180 HydrophobicContact CB-CD2 4.34Å; H138-W180 HydrophobicContact CB-CE3 4.42Å; H138-W180 HydrophobicContact CB-CG 4.49Å; H138-W180 AromaticContact CD2-NE1 3.89Å; H138-W180 AromaticContact CE1-CD2 3.64Å; H138-W180 AromaticContact CE1-CE2 3.07Å; H138-W180 AromaticContact CE1-CH2 3.89Å; H138-W180 AromaticContact CE1-CZ2 3.22Å; H138-W180 WeakPolarHBondContact CE1-CZ2 3.38Å; H138-W180 AromaticContact CE1-NE1 3.35Å; H138-W180 PolarHBondContact CE1-NE1 3.2Å; H138-W180 VanDerWaalsContact CE1-NE1 3.35Å; H138-W180 AromaticContact CG-CD2 3.75Å; H138-W180 AromaticContact CG-CE2 3.97Å; H138-W180 AromaticContact ND1-CD2 3.37Å; H138-W180 AromaticContact ND1-CE2 3.33Å; H138-W180 VanDerWaalsContact ND1-CE2 3.33Å; H138-W180 AromaticContact ND1-CE3 3.54Å; H138-W180 AromaticContact ND1-CH2 3.85Å; H138-W180 AromaticContact ND1-CZ2 3.58Å; H138-W180 AromaticContact ND1-CZ3 3.76Å; H138-W180 AromaticContact ND1-NE1 3.86Å; H138-W180 AromaticContact NE2-CD1 3.93Å; H138-W180 AromaticContact NE2-CE2 3.59Å; H138-W180 AromaticContact NE2-NE1 3.34Å; H138-W180 PolarHBondContact NE2-NE1 3.39Å; L150-W180 HydrophobicContact CD2-CB 4.09Å; V176-W180 VanDerWaalsContact O-CD1 3.31Å; V176-W180 PolarHBondContact O-N 2.98Å; V176-W180 VanDerWaalsContact O-N 3.16Å; A177-W180 PolarHBondContact O-N 3.02Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.42Å; W180-Y183 AromaticContact CE3-CD1 3.95Å; W180-Y183 HydrophobicContact CE3-CD1 3.95Å; W180-Y183 AromaticContact CZ3-CD1 3.65Å; W180-Y183 HydrophobicContact CZ3-CD1 3.65Å; W180-Y183 HydrophobicContact CZ3-CE1 4.08Å; W180-Y183 HydrophobicContact CZ3-CG 4.29Å; W180-Y183 PolarHBondContact O-N 3.14Å; W180-L184 HydrophobicContact CB-CD1 4.36Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.45Å; W180-L184 WeakPolarHBondContact O-CD1 3.18Å; W180-L184 WeakPolarHBondContact O-CG 3.31Å; W180-L184 PolarHBondContact O-N 3.29Å
181R98.6Very high98.3Very high81 Ų8160.1 Ų60.131%0.30632%0.316SS..Hα-helixtrans-57.7-46.5175.3-176.1173.5179.7-141.4-15.4111.6L154 A177 E178 Y183 L184 E185L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.95Å; L154-R181 HydrophobicContact CD1-CG 4Å; A177-R181 VanDerWaalsContact O-CB 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 3.34Å; E178-R181 PolarHBondContact O-N 3.25Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.94Å; R181-L184 PolarHBondContact O-N 2.68Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 IonicContact CZ-OE1 3.34Å; R181-E185 IonicContact CZ-OE2 3.29Å; R181-E185 VanDerWaalsContact NE-CD 3.35Å; R181-E185 IonicContact NE-OE1 2.73Å; R181-E185 PolarHBondContact NE-OE1 3.38Å; R181-E185 IonicContact NE-OE2 3.46Å; R181-E185 PolarHBondContact NE-OE2 3.11Å; R181-E185 IonicContact NH2-OE1 3.29Å; R181-E185 PolarHBondContact NH2-OE1 3.11Å; R181-E185 IonicContact NH2-OE2 3.55Å; R181-E185 PolarHBondContact NH2-OE2 3.16Å; R181-E185 WeakPolarHBondContact O-CB 3.28Å; R181-E185 PolarHBondContact O-N 3.1Å
182A98.5Very high98.3Very high68 Ų6857.5 Ų57.556%0.56231%0.306SS*.Hα-helixtrans-59.4-42.7177.200000112.5E178 Q179 W180 G186E178-A182 PolarHBondContact O-N 3.28Å; Q179-A182 PolarHBondContact O-N 2.99Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 3.42Å; A182-G186 PolarHBondContact O-N 3.34Å; A182-G186 VanDerWaalsContact O-N 3.14Å
183Y98.4Very high98.1Very high55 Ų5559.3 Ų59.322%0.21631%0.31CS..Iπ-helixtrans-65.2-46.2174.7170.6-97.5000112.4Y123 Q179 W180 R181 T187 C188Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.85Å; Y123-Y183 HydrophobicContact CE2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å; Q179-Y183 PolarHBondContact O-N 3.05Å; W180-Y183 AromaticContact CE3-CD1 3.95Å; W180-Y183 HydrophobicContact CE3-CD1 3.95Å; W180-Y183 AromaticContact CZ3-CD1 3.65Å; W180-Y183 HydrophobicContact CZ3-CD1 3.65Å; W180-Y183 HydrophobicContact CZ3-CE1 4.08Å; W180-Y183 HydrophobicContact CZ3-CG 4.29Å; W180-Y183 PolarHBondContact O-N 3.14Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.94Å; Y183-T187 HydrophobicContact CD2-CG2 4.11Å; Y183-T187 HydrophobicContact CE2-CG2 4Å; Y183-T187 PolarHBondContact O-N 3.23Å; Y183-C188 HydrophobicContact CD1-CB 4.32Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 2.99Å; Y183-C188 PolarHBondContact O-N 3.23Å
184L98.8Very high98Very high0 Ų061.2 Ų61.20%030%0.3CS..Iπ-helixtrans-70.6-41.7-172.9-70169.7000112.6G124 F133 L150 L154 W180 R181G124-L184 WeakPolarHBondContact O-CD2 3.45Å; F133-L184 WeakPolarHBondContact CD2-O 3.13Å; F133-L184 HydrophobicContact CE2-CB 4.3Å; F133-L184 WeakPolarHBondContact CE2-O 3.03Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; W180-L184 HydrophobicContact CB-CD1 4.36Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.45Å; W180-L184 WeakPolarHBondContact O-CD1 3.18Å; W180-L184 WeakPolarHBondContact O-CG 3.31Å; W180-L184 PolarHBondContact O-N 3.29Å; R181-L184 PolarHBondContact O-N 2.68Å
185E98.4Very high97.9Very high79 Ų7958.7 Ų58.737%0.36928%0.278SS..Iπ-helixtrans-80-25178.8-66.9-180171.800112.4F133 L154 R181F133-E185 HydrophobicContact CD1-CG 4.18Å; F133-E185 HydrophobicContact CE1-CG 4.11Å; F133-E185 HydrophobicContact CE2-CG 4.45Å; F133-E185 HydrophobicContact CG-CG 4.37Å; F133-E185 HydrophobicContact CZ-CG 4.25Å; L154-E185 HydrophobicContact CD1-CG 4.06Å; R181-E185 HydrophobicContact CG-CG 4.15Å; R181-E185 IonicContact CZ-OE1 3.34Å; R181-E185 IonicContact CZ-OE2 3.29Å; R181-E185 VanDerWaalsContact NE-CD 3.35Å; R181-E185 IonicContact NE-OE1 2.73Å; R181-E185 PolarHBondContact NE-OE1 3.38Å; R181-E185 IonicContact NE-OE2 3.46Å; R181-E185 PolarHBondContact NE-OE2 3.11Å; R181-E185 IonicContact NH2-OE1 3.29Å; R181-E185 PolarHBondContact NH2-OE1 3.11Å; R181-E185 IonicContact NH2-OE2 3.55Å; R181-E185 PolarHBondContact NH2-OE2 3.16Å; R181-E185 WeakPolarHBondContact O-CB 3.28Å; R181-E185 PolarHBondContact O-N 3.1Å
186G98.2Very high97.7Very high22 Ų2253.6 Ų53.623%0.22726%0.255CS..Iπ-helixtrans-106.6-94.5-178.200000112.9A182 C188 V189 E190A182-G186 PolarHBondContact O-N 3.34Å; A182-G186 VanDerWaalsContact O-N 3.14Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.16Å; G186-C188 VanDerWaalsContact O-N 3.13Å; G186-V189 PolarHBondContact O-N 3.18Å; G186-E190 WeakPolarHBondContact O-CG 3.45Å; G186-E190 PolarHBondContact O-N 3.21Å
187T98.1Very high97.4Very high57 Ų5757.5 Ų57.535%0.3527%0.272SS..Iπ-helixtrans-53.2-39.5-170.2-56.40000113.7Y183 E190 W191Y183-T187 HydrophobicContact CD2-CG2 4.11Å; Y183-T187 HydrophobicContact CE2-CG2 4Å; Y183-T187 PolarHBondContact O-N 3.23Å; T187-E190 PolarHBondContact O-N 2.81Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 VanDerWaalsContact O-CD1 3.22Å; T187-W191 PolarHBondContact O-N 3.13Å
188C98.5Very high97.1Very high0 Ų058.9 Ų58.90%028%0.278CS..Hα-helixtrans-60.6-47.7177.7-173.50000111.7M29 C125 Y183 G186 W191 L192M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.44Å; M29-C188 WeakPolarHBondContact CE-SG 3.33Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.19Å; C125-C188 PolarHBondContact N-SG 3.41Å; C125-C188 WeakPolarHBondContact SG-CB 3.27Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.84Å; Y183-C188 HydrophobicContact CD1-CB 4.32Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 2.99Å; Y183-C188 PolarHBondContact O-N 3.23Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.16Å; G186-C188 VanDerWaalsContact O-N 3.13Å; C188-W191 PolarHBondContact O-N 3.33Å; C188-L192 WeakPolarHBondContact O-CB 3.28Å; C188-L192 PolarHBondContact O-N 3.05Å
189V98.3Very high96.7Very high8 Ų853 Ų535%0.04825%0.251CS..Hα-helixtrans-65.6-41.5179174.30000111.2V127 F133 G186 L192 R193V127-V189 HydrophobicContact CG1-CB 4.35Å; V127-V189 HydrophobicContact CG1-CG1 3.91Å; V127-V189 HydrophobicContact CG1-CG2 3.92Å; F133-V189 HydrophobicContact CB-CG2 4.18Å; F133-V189 HydrophobicContact CD2-CG2 3.86Å; G186-V189 PolarHBondContact O-N 3.18Å; V189-L192 PolarHBondContact O-N 2.73Å; V189-R193 WeakPolarHBondContact O-CG 3.31Å; V189-R193 PolarHBondContact O-N 3.03Å
190E97.9Very high96.1Very high123 Ų12350.2 Ų50.258%0.57524%0.237SC*.Hα-helixtrans-60.5-47.2177.8-69.6171.5172.700112.1G186 T187 R193 R194G186-E190 WeakPolarHBondContact O-CG 3.45Å; G186-E190 PolarHBondContact O-N 3.21Å; T187-E190 PolarHBondContact O-N 2.81Å; E190-R193 PolarHBondContact O-N 3.2Å; E190-R194 PolarHBondContact O-N 3.32Å; E190-R194 VanDerWaalsContact O-N 3.13Å
191W97.9Very high95.3Very high71 Ų7156 Ų5627%0.26927%0.265SS..Hα-helixtrans-69.8-39.3178.7-82.1103.1000112.7M29 Y83 T187 C188 R193 R194 Y195M29-W191 HydrophobicContact CE-CB 4.11Å; M29-W191 HydrophobicContact SD-CB 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.82Å; Y83-W191 HydrophobicContact CD2-CZ3 3.82Å; Y83-W191 HydrophobicContact CE2-CE3 4.31Å; Y83-W191 AromaticContact CE2-CH2 3.78Å; Y83-W191 HydrophobicContact CE2-CH2 3.78Å; Y83-W191 HydrophobicContact CE2-CZ2 4.44Å; Y83-W191 AromaticContact CE2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CZ3 3.69Å; T187-W191 VanDerWaalsContact CG2-CD1 3.49Å; T187-W191 VanDerWaalsContact O-CD1 3.22Å; T187-W191 PolarHBondContact O-N 3.13Å; C188-W191 PolarHBondContact O-N 3.33Å; W191-R193 VanDerWaalsContact C-N 3.31Å; W191-R193 PolarHBondContact O-N 2.97Å; W191-R194 PolarHBondContact O-N 3.34Å; W191-R194 VanDerWaalsContact O-N 3.17Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.32Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.26Å; W191-Y195 AromaticContact CE3-CZ 3.35Å; W191-Y195 AromaticContact CZ3-CE1 3.78Å; W191-Y195 HydrophobicContact CZ3-CE1 3.78Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.36Å
192L97.8Very high94.3Very high0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-58-44.9175.2176.751.7000111.1H27 M29 V52 V127 C188 V189 R194 Y195 L196H27-L192 HydrophobicContact CB-CD1 4.45Å; H27-L192 HydrophobicContact CB-CD2 4.38Å; M29-L192 HydrophobicContact CB-CB 4.15Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.19Å; M29-L192 HydrophobicContact CB-CG 4.34Å; M29-L192 HydrophobicContact CE-CB 4.46Å; M29-L192 HydrophobicContact SD-CB 4.5Å; V52-L192 HydrophobicContact CG1-CD1 3.73Å; V52-L192 HydrophobicContact CG2-CD1 4.3Å; V127-L192 HydrophobicContact CB-CD2 4.44Å; V127-L192 HydrophobicContact CG1-CD2 4.01Å; V127-L192 HydrophobicContact CG2-CD2 3.68Å; V127-L192 HydrophobicContact CG2-CG 4.39Å; C188-L192 WeakPolarHBondContact O-CB 3.28Å; C188-L192 PolarHBondContact O-N 3.05Å; V189-L192 PolarHBondContact O-N 2.73Å; L192-R194 PolarHBondContact O-N 3.46Å; L192-Y195 PolarHBondContact O-N 3.15Å; L192-L196 HydrophobicContact CD1-CD1 3.56Å; L192-L196 HydrophobicContact CD1-CG 3.96Å; L192-L196 HydrophobicContact CG-CD1 3.8Å; L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 WeakPolarHBondContact O-CD1 2.84Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.16Å
193R95.2Very high93.2Very high113 Ų11354 Ų5443%0.42625%0.254SS..Hα-helixtrans-59.4-45.7174.7-72.2173.8-175.8-174.72.3112.2W131 V189 E190 W191 Y195 L196 E197W131-R193 HydrophobicContact CD2-CG 4.41Å; W131-R193 HydrophobicContact CE3-CG 3.64Å; W131-R193 HydrophobicContact CZ3-CG 4.15Å; W131-R193 PolarHBondContact O-NH2 2.91Å; V189-R193 WeakPolarHBondContact O-CG 3.31Å; V189-R193 PolarHBondContact O-N 3.03Å; E190-R193 PolarHBondContact O-N 3.2Å; W191-R193 VanDerWaalsContact C-N 3.31Å; W191-R193 PolarHBondContact O-N 2.97Å; R193-Y195 PolarHBondContact O-N 2.88Å; R193-L196 PolarHBondContact O-N 3.3Å; R193-E197 PolarHBondContact O-N 3.46Å
194R95.8Very high91.8Very high122 Ų12252.4 Ų52.446%0.4625%0.249SC..Hα-helixtrans-60-45.6177.3179.6177173.3103.5-4111.6E79 E190 W191 L192 L196 E197 N198E79-R194 IonicContact OE1-CZ 3.11Å; E79-R194 IonicContact OE1-NE 3.09Å; E79-R194 PolarHBondContact OE1-NE 3.32Å; E79-R194 IonicContact OE1-NH2 2.8Å; E79-R194 PolarHBondContact OE1-NH2 2.71Å; E79-R194 IonicContact OE2-CZ 2.71Å; E79-R194 IonicContact OE2-NE 3.57Å; E79-R194 PolarHBondContact OE2-NE 3.34Å; E79-R194 IonicContact OE2-NH2 3.51Å; E79-R194 PolarHBondContact OE2-NH2 3Å; E190-R194 PolarHBondContact O-N 3.32Å; E190-R194 VanDerWaalsContact O-N 3.13Å; W191-R194 PolarHBondContact O-N 3.34Å; W191-R194 VanDerWaalsContact O-N 3.17Å; L192-R194 PolarHBondContact O-N 3.46Å; R194-L196 PolarHBondContact O-N 3.46Å; R194-E197 PolarHBondContact O-N 2.94Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.16Å; R194-N198 PolarHBondContact O-OD1 3.32Å; R194-N198 VanDerWaalsContact O-OD1 3.12Å
195Y95.8Very high90.1Very high2 Ų262.5 Ų62.51%0.00829%0.287CS..Hα-helixtrans-66.7-36.5179.9-62.5-28.1000112.8M29 V52 F57 W75 I76 Y83 W191 L192 R193 N198 G199M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.6Å; V52-Y195 HydrophobicContact CG2-CD2 3.88Å; V52-Y195 HydrophobicContact CG2-CG 4.33Å; F57-Y195 HydrophobicContact CE2-CD2 4.07Å; F57-Y195 AromaticContact CE2-CE2 3.61Å; F57-Y195 HydrophobicContact CE2-CE2 3.61Å; F57-Y195 AromaticContact CE2-CZ 3.91Å; F57-Y195 HydrophobicContact CZ-CD2 4.08Å; F57-Y195 AromaticContact CZ-CE2 3.67Å; F57-Y195 HydrophobicContact CZ-CE2 3.67Å; W75-Y195 HydrophobicContact CH2-CG 4.22Å; W75-Y195 AromaticContact CZ3-CD1 3.87Å; W75-Y195 HydrophobicContact CZ3-CD1 3.87Å; W75-Y195 AromaticContact CZ3-CG 3.78Å; W75-Y195 HydrophobicContact CZ3-CG 3.78Å; I76-Y195 HydrophobicContact CD1-CD1 3.73Å; I76-Y195 HydrophobicContact CD1-CE1 3.41Å; I76-Y195 VanDerWaalsContact CD1-CE1 3.41Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 2.68Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.32Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.26Å; W191-Y195 AromaticContact CE3-CZ 3.35Å; W191-Y195 AromaticContact CZ3-CE1 3.78Å; W191-Y195 HydrophobicContact CZ3-CE1 3.78Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.36Å; L192-Y195 PolarHBondContact O-N 3.15Å; R193-Y195 PolarHBondContact O-N 2.88Å; Y195-N198 PolarHBondContact O-N 2.98Å; Y195-G199 PolarHBondContact O-N 3.41Å
196L93.9Very high87.7Confident0 Ų068 Ų680%033%0.326CS..Hα-helixtrans-69.1-34.5175.2-71.9162000112.5W23 H27 V52 W131 L192 R193 R194 K200 L203 Q204W23-L196 HydrophobicContact CZ3-CB 3.97Å; H27-L196 HydrophobicContact CB-CD1 3.57Å; H27-L196 HydrophobicContact CB-CD2 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.36Å; V52-L196 HydrophobicContact CG1-CD2 3.84Å; V52-L196 HydrophobicContact CG1-CG 4.13Å; W131-L196 HydrophobicContact CH2-CB 4.46Å; W131-L196 HydrophobicContact CH2-CD1 3.65Å; W131-L196 HydrophobicContact CZ3-CD1 3.47Å; W131-L196 VanDerWaalsContact CZ3-CD1 3.47Å; L192-L196 HydrophobicContact CD1-CD1 3.56Å; L192-L196 HydrophobicContact CD1-CG 3.96Å; L192-L196 HydrophobicContact CG-CD1 3.8Å; L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 WeakPolarHBondContact O-CD1 2.84Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.16Å; R193-L196 PolarHBondContact O-N 3.3Å; R194-L196 PolarHBondContact O-N 3.46Å; L196-K200 VanDerWaalsContact O-CA 3.29Å; L196-K200 WeakPolarHBondContact O-CA 3.47Å; L196-K200 PolarHBondContact O-N 2.94Å; L196-L203 HydrophobicContact CD2-CB 4.26Å; L196-L203 HydrophobicContact CD2-CD1 4.1Å; L196-Q204 PolarHBondContact O-NE2 3.04Å
197E92.4Very high87.1Confident102 Ų10270.3 Ų70.348%0.47733%0.331SS..Hα-helixtrans-67.5-46.8171.5-172.962.5-147.800110.9W23 R193 R194 G199 K200W23-E197 HydrophobicContact CH2-CB 4.49Å; W23-E197 WeakPolarHBondContact CH2-OE2 3.35Å; W23-E197 WeakPolarHBondContact CZ2-OE2 3.48Å; R193-E197 PolarHBondContact O-N 3.46Å; R194-E197 PolarHBondContact O-N 2.94Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.86Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 3.08Å
198N91.9Very high86.6Confident36 Ų3670.9 Ų70.919%0.19333%0.33CS..Hα-helixtrans-58.3-41.9176.4-66.4-2.7000111.9W75 Q78 E79 R194 Y195W75-N198 HydrophobicContact CB-CB 4.47Å; W75-N198 WeakPolarHBondContact CB-O 3.38Å; W75-N198 HydrophobicContact CE3-CB 4.28Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 2.92Å; Q78-N198 PolarHBondContact NE2-OD1 3.19Å; E79-N198 PolarHBondContact OE1-ND2 3.36Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.16Å; R194-N198 PolarHBondContact O-OD1 3.32Å; R194-N198 VanDerWaalsContact O-OD1 3.12Å; Y195-N198 PolarHBondContact O-N 2.98Å
199G89.4Confident85.9Confident1 Ų174.9 Ų74.91%0.0135%0.348CS..THydrogen-bonded Turntrans-95.611.9-175.500000114.8Y195 E197 E201 T202 L203Y195-G199 PolarHBondContact O-N 3.41Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.86Å; G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 3.45Å; G199-E201 VanDerWaalsContact O-N 3.09Å; G199-T202 PolarHBondContact O-N 3.04Å; G199-T202 PolarHBondContact O-OG1 3.13Å; G199-L203 PolarHBondContact O-N 2.9Å
200K86.1Confident85.2Confident71 Ų7178.8 Ų78.831%0.30937%0.366SS..Hα-helixtrans-49.9-41.3-168.2-173.9175.5-174.9176.80114.3L196 E197 T202 Q204L196-K200 VanDerWaalsContact O-CA 3.29Å; L196-K200 WeakPolarHBondContact O-CA 3.47Å; L196-K200 PolarHBondContact O-N 2.94Å; E197-K200 WeakPolarHBondContact O-CB 3.48Å; E197-K200 PolarHBondContact O-N 3.08Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 3.16Å; K200-Q204 WeakPolarHBondContact O-CB 3.46Å; K200-Q204 PolarHBondContact O-N 2.88Å
201E80.9Confident84.4Confident164 Ų16476.1 Ų76.177%0.76635%0.353SS*.Hα-helixtrans-70.7-20.2-179.5-61.2-171.8166.500114.1G199 R205G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 3.45Å; G199-E201 VanDerWaalsContact O-N 3.09Å; E201-R205 WeakPolarHBondContact O-CD 3.37Å; E201-R205 WeakPolarHBondContact O-CG 3.33Å
202T78.1Confident83.5Confident86 Ų8676.4 Ų76.453%0.52836%0.358SS..Hα-helixtrans-110.6-41.6-17456.80000113.4G199 K200G199-T202 PolarHBondContact O-N 3.04Å; G199-T202 PolarHBondContact O-OG1 3.13Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 3.16Å
203L76.5Confident82.5Confident21 Ų2181.9 Ų81.911%0.1138%0.384CS..Hα-helixtrans-84.3-22.6-174.8-63.4174.4000112.9V52 T55 W75 L196 G199V52-L203 HydrophobicContact CB-CD1 4.43Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; T55-L203 HydrophobicContact CG2-CD2 3.99Å; T55-L203 WeakPolarHBondContact OG1-CD2 3.43Å; W75-L203 HydrophobicContact CD2-CD1 4.47Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.38Å; L196-L203 HydrophobicContact CD2-CB 4.26Å; L196-L203 HydrophobicContact CD2-CD1 4.1Å; G199-L203 PolarHBondContact O-N 2.9Å
204Q68.9Low81.5Confident22 Ų2279.5 Ų79.510%0.10338%0.381CS..SBendtrans-110.417-173.6-52.3178.917.400113L196 K200 T206L196-Q204 PolarHBondContact O-NE2 3.04Å; K200-Q204 WeakPolarHBondContact O-CB 3.46Å; K200-Q204 PolarHBondContact O-N 2.88Å; Q204-T206 VanDerWaalsContact C-N 3.33Å; Q204-T206 PolarHBondContact O-N 3.28Å; Q204-T206 VanDerWaalsContact O-N 3.12Å
205R62.3Low80.3Confident213 Ų21375.9 Ų75.980%0.80437%0.374SS*.  trans-80.283169.2-87.3179.9166165.8-0.1109.1E201E201-R205 WeakPolarHBondContact O-CD 3.37Å; E201-R205 WeakPolarHBondContact O-CG 3.33Å
206T47.2Very low78.9Confident193 Ų19382.6 Ų82.6100%1.18441%0.408SS*.  trans-133.80164.941.60000109.6Q204Q204-T206 VanDerWaalsContact C-N 3.33Å; Q204-T206 PolarHBondContact O-N 3.28Å; Q204-T206 VanDerWaalsContact O-N 3.12Å

Retrieved 206 of 206 residues in 1090.7 ms (Link to these results)

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