A0A088MI97_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A088MI97, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low46.6Very low241 Ų241136.5 Ų136.5100%1.18771%0.706SS**  0126.80-68.3158.6177.500107.8
2R37.2Very low46.6Very low243 Ų243135.8 Ų135.892%0.91770%0.703SS**  trans-92.3111.7170.4-83.6-177.9172.8165.7-2.5107.7T4R2-T4 PolarHBondContact O-N 3.19Å
3V41Very low46.4Very low142 Ų142133.2 Ų133.286%0.86169%0.689SS**  trans-76.9101.1172.1-179.90000107.5A5V3-A5 PolarHBondContact O-N 3.36Å
4T44.9Very low46.1Very low125 Ų125128.1 Ų128.177%0.76767%0.672SS**  trans-76.7108.7169.345.50000108.7R2R2-T4 PolarHBondContact O-N 3.19Å
5A45.2Very low45.9Very low61 Ų61123 Ų12350%0.50466%0.655SS.*  trans-58.8144.8171.200000110.4V3 R7V3-A5 PolarHBondContact O-N 3.36Å; A5-R7 PolarHBondContact O-N 3.43Å
6P53.8Low45.9Very low76 Ų76118.4 Ų118.449%0.49464%0.639SS.*  trans-61.4135.1179.2-19.931.7000111T8 V9 L10P6-T8 PolarHBondContact O-N 3.32Å; P6-T8 VanDerWaalsContact O-N 3.11Å; P6-V9 HydrophobicContact CB-CG2 4.12Å; P6-V9 HydrophobicContact CG-CG2 4.12Å; P6-V9 PolarHBondContact O-N 3.42Å; P6-L10 PolarHBondContact O-N 3.49Å
7R50.7Low45.5Very low221 Ų221117.7 Ų117.783%0.83464%0.635SS**Hα-helixtrans-54-32.5179-92.7179.1157.7136.3-7.1113.1A5 L10 L11A5-R7 PolarHBondContact O-N 3.43Å; R7-L10 PolarHBondContact O-N 3.01Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.38Å; R7-L11 PolarHBondContact O-N 2.98Å
8T52.7Low45.1Very low93 Ų93114 Ų11457%0.57162%0.623SS**Hα-helixtrans-64.2-42.8175.339.10000113.1P6 L10 L11 L12P6-T8 PolarHBondContact O-N 3.32Å; P6-T8 VanDerWaalsContact O-N 3.11Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L10 PolarHBondContact O-N 3.22Å; T8-L11 PolarHBondContact O-N 2.65Å; T8-L12 WeakPolarHBondContact O-CG 3.3Å; T8-L12 PolarHBondContact O-N 3.11Å
9V51.9Low44.8Very low70 Ų70112.8 Ų112.842%0.42462%0.615SS.*Hα-helixtrans-65.4-39.4176.3178.50000110.5P6 L13P6-V9 HydrophobicContact CB-CG2 4.12Å; P6-V9 HydrophobicContact CG-CG2 4.12Å; P6-V9 PolarHBondContact O-N 3.42Å; V9-L13 HydrophobicContact CG1-CD1 3.99Å; V9-L13 WeakPolarHBondContact O-CB 3.33Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 2.8Å
10L47.7Very low44.6Very low115 Ų115111.3 Ų111.360%0.60261%0.609SS**Hα-helixtrans-63.8-41.9176.2-146.482.7000111.9P6 R7 T8 L13 S14P6-L10 PolarHBondContact O-N 3.49Å; R7-L10 PolarHBondContact O-N 3.01Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L10 PolarHBondContact O-N 3.22Å; L10-L13 PolarHBondContact O-N 3Å; L10-S14 PolarHBondContact O-N 3.25Å; L10-S14 PolarHBondContact O-OG 2.91Å; L10-S14 VanDerWaalsContact O-OG 3.11Å
11L53.6Low44.3Very low115 Ų115113.5 Ų113.560%0.60262%0.616SS**Hα-helixtrans-66.3-44.8178.4-75.5166.5000112.5R7 T8 S14 A15R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.38Å; R7-L11 PolarHBondContact O-N 2.98Å; T8-L11 PolarHBondContact O-N 2.65Å; L11-S14 WeakPolarHBondContact CA-OG 3.4Å; L11-S14 PolarHBondContact O-N 3.5Å; L11-S14 PolarHBondContact O-OG 3.01Å; L11-A15 PolarHBondContact O-N 3.11Å
12L46.5Very low44.9Very low128 Ų128106.2 Ų106.267%0.6759%0.585SS**Hα-helixtrans-63-41.5176-71.8168.4000111.8T8 A15 A16T8-L12 WeakPolarHBondContact O-CG 3.3Å; T8-L12 PolarHBondContact O-N 3.11Å; L12-A15 PolarHBondContact O-N 2.9Å; L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 2.95Å
13L43.5Very low45.3Very low101 Ų10197.1 Ų97.153%0.52955%0.55SS.*Hα-helixtrans-62.9-41.5173.6-76.6167.5000112V9 L10 A16 L17V9-L13 HydrophobicContact CG1-CD1 3.99Å; V9-L13 WeakPolarHBondContact O-CB 3.33Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 2.8Å; L10-L13 PolarHBondContact O-N 3Å; L13-A16 PolarHBondContact O-N 2.98Å; L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 WeakPolarHBondContact O-CD1 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 3Å
14S42.4Very low46.1Very low63 Ų6393.4 Ų93.444%0.44154%0.535SS..Hα-helixtrans-68.5-32.5175.851.40000113.5L10 L11 A18L10-S14 PolarHBondContact O-N 3.25Å; L10-S14 PolarHBondContact O-OG 2.91Å; L10-S14 VanDerWaalsContact O-OG 3.11Å; L11-S14 WeakPolarHBondContact CA-OG 3.4Å; L11-S14 PolarHBondContact O-N 3.5Å; L11-S14 PolarHBondContact O-OG 3.01Å; S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.48Å; S14-A18 PolarHBondContact O-N 2.78Å
15A44Very low47.5Very low51 Ų5189 Ų8942%0.42151%0.514SS..Hα-helixtrans-68.9-44.817400000111.4L11 L12 A18 L19L11-A15 PolarHBondContact O-N 3.11Å; L12-A15 PolarHBondContact O-N 2.9Å; A15-A18 PolarHBondContact O-N 2.69Å; A15-L19 WeakPolarHBondContact O-CB 3.48Å; A15-L19 PolarHBondContact O-N 3.46Å
16A44.6Very low49.7Very low49 Ų4988.5 Ų88.541%0.40551%0.507SS..Hα-helixtrans-63.5-41.8175.100000112.2L12 L13 L19 T20L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 2.95Å; L13-A16 PolarHBondContact O-N 2.98Å; A16-L19 PolarHBondContact O-N 2.87Å; A16-T20 PolarHBondContact O-N 2.94Å; A16-T20 PolarHBondContact O-OG1 3.07Å
17L39.5Very low51.7Low107 Ų10786.5 Ų86.556%0.5649%0.491SS*.Hα-helixtrans-65.3-44176.6-78.1165000112.2L13 L19 T20 E21L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.48Å; L13-L17 WeakPolarHBondContact O-CD1 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 3Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3.48Å; L17-T20 WeakPolarHBondContact CA-OG1 3.34Å; L17-T20 PolarHBondContact O-N 3.3Å; L17-T20 VanDerWaalsContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 2.49Å; L17-E21 PolarHBondContact O-N 2.46Å
18A38.7Very low54Low51 Ų5177 Ų7742%0.42146%0.458SS..Hα-helixtrans-62-38.1175.200000112.1S14 A15 E21 T22S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.48Å; S14-A18 PolarHBondContact O-N 2.78Å; A15-A18 PolarHBondContact O-N 2.69Å; A18-E21 PolarHBondContact O-N 3.46Å; A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-N 2.67Å; A18-T22 VanDerWaalsContact O-N 3.15Å; A18-T22 PolarHBondContact O-OG1 2.96Å; A18-T22 VanDerWaalsContact O-OG1 3.11Å
19L39.3Very low56.1Low92 Ų9272.6 Ų72.648%0.48243%0.431SS..Hα-helixtrans-66.8-34.8172.8-83.7158.1000112.8A15 A16 L17 T22A15-L19 WeakPolarHBondContact O-CB 3.48Å; A15-L19 PolarHBondContact O-N 3.46Å; A16-L19 PolarHBondContact O-N 2.87Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3.48Å; L19-T22 PolarHBondContact O-OG1 3.33Å
20T40.5Very low58.4Low81 Ų8171.5 Ų71.550%0.49742%0.42SS..Hα-helixtrans-74.8-30.2174.752.50000113.8A16 L17A16-T20 PolarHBondContact O-N 2.94Å; A16-T20 PolarHBondContact O-OG1 3.07Å; L17-T20 WeakPolarHBondContact CA-OG1 3.34Å; L17-T20 PolarHBondContact O-N 3.3Å; L17-T20 VanDerWaalsContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 2.49Å
21E39.3Very low60.8Low159 Ų15966.4 Ų66.474%0.74339%0.393SS*.Hα-helixtrans-77.3-26.8176.4-78.6-170.9145.800113.2L17 A18L17-E21 PolarHBondContact O-N 2.46Å; A18-E21 PolarHBondContact O-N 3.46Å
22T45.5Very low63Low87 Ų8765 Ų6553%0.53438%0.382SS..Hα-helixtrans-79.3-19.9-176.947.90000115.1A18 L19A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-N 2.67Å; A18-T22 VanDerWaalsContact O-N 3.15Å; A18-T22 PolarHBondContact O-OG1 2.96Å; A18-T22 VanDerWaalsContact O-OG1 3.11Å; L19-T22 PolarHBondContact O-OG1 3.33Å
23W46.7Very low65.4Low52 Ų5259 Ų5920%0.19735%0.35CS..Hα-helixtrans-86.6-42.3-175.6-71.642.8000112.5G25 E236 E288W23-G25 PolarHBondContact O-N 2.78Å; W23-E236 HydrophobicContact CE3-CG 4.44Å; W23-E236 HydrophobicContact CH2-CB 4.13Å; W23-E236 HydrophobicContact CH2-CG 3.45Å; W23-E236 VanDerWaalsContact CH2-CG 3.45Å; W23-E236 HydrophobicContact CZ2-CG 3.72Å; W23-E236 HydrophobicContact CZ3-CB 4.02Å; W23-E236 HydrophobicContact CZ3-CG 3.82Å; W23-E236 VanDerWaalsContact CZ3-O 3.32Å; W23-E236 WeakPolarHBondContact CZ3-O 3.27Å; W23-E288 HydrophobicContact CB-CB 4.28Å; W23-E288 HydrophobicContact CE3-CB 4.14Å
24A56.7Low68.1Low64 Ų6456 Ų5653%0.52934%0.336SS..THydrogen-bonded Turntrans-67.797.6-172.200000112.9
25G74.8Confident70.7Confident32 Ų3253.1 Ų53.133%0.3332%0.316SS..THydrogen-bonded Turntrans97.110.816800000116.3W23 P129W23-G25 PolarHBondContact O-N 2.78Å; G25-P129 WeakPolarHBondContact O-CA 3.2Å
26S91.4Very high73.3Confident52 Ų5253.8 Ų53.836%0.36431%0.311SS..  trans-78.4140.2162.164.20000110.4L127S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.35Å
27H96.1Very high75.9Confident33 Ų3352.3 Ų52.315%0.15330%0.298CS..EExtended strand (participates in β ladder)trans-137.4153.3-178.9-69.6-74000111.6D53 D126 L127 L192 L196H27-D53 VanDerWaalsContact CA-OD1 3.31Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 3.05Å; H27-D53 IonicContact CG-OD2 3.51Å; H27-D53 IonicContact ND1-OD1 2.79Å; H27-D53 IonicContact ND1-OD2 3.44Å; H27-D53 PolarHBondContact ND1-OD2 2.84Å; H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.23Å; H27-L127 PolarHBondContact N-O 3.38Å; H27-L127 PolarHBondContact O-N 2.83Å; H27-L192 HydrophobicContact CB-CD1 4.48Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.29Å
28S97.9Very high78.5Confident22 Ų2250.7 Ų50.715%0.15428%0.284CS..EExtended strand (participates in β ladder)trans-133.2149.1-176.964.70000112.2V52 D53 C125 D126S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; S28-D53 PolarHBondContact N-OD1 3.24Å; S28-D53 PolarHBondContact O-N 3.13Å; S28-D53 PolarHBondContact OG-OD1 3.11Å; S28-C125 WeakPolarHBondContact CA-O 3.49Å; S28-D126 WeakPolarHBondContact CB-OD1 3.36Å
29M98.6Very high81.1Confident0 Ų050.9 Ų50.90%028%0.281CS..EExtended strand (participates in β ladder)trans-125.5118.2167.8-177.4173.660.700108.5Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195M29-Y31 HydrophobicContact CE-CE2 4.19Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; M29-Y51 WeakPolarHBondContact CA-O 3.46Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.22Å; M29-G124 CarbonylContact O-C 3.41Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; M29-C125 PolarHBondContact N-O 3.34Å; M29-C125 PolarHBondContact O-N 3.07Å; M29-C125 VanDerWaalsContact O-N 3.08Å; M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 VanDerWaalsContact CE-O 3.27Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 VanDerWaalsContact CE-SG 3.5Å; M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.41Å; M29-L192 HydrophobicContact CB-CB 4.02Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.35Å; M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30R98.6Very high83.5Confident47 Ų4750.8 Ų50.818%0.17730%0.302CS..EExtended strand (participates in β ladder)trans-127.7129.8-174-54.1-61.9-171.672.52.5110.6F32 Y51 D126 Y137R30-F32 HydrophobicContact CB-CE2 3.69Å; R30-F32 HydrophobicContact CB-CZ 4.02Å; R30-Y51 PolarHBondContact N-O 3.45Å; R30-Y51 PolarHBondContact O-N 2.85Å; R30-D126 IonicContact CZ-OD1 2.66Å; R30-D126 VanDerWaalsContact CZ-OD1 3.22Å; R30-D126 IonicContact CZ-OD2 3.93Å; R30-D126 IonicContact NE-OD1 2.86Å; R30-D126 PolarHBondContact NE-OD1 3.29Å; R30-D126 IonicContact NH2-OD1 3.92Å; R30-D126 PolarHBondContact NH2-OD1 3.26Å; R30-D126 IonicContact NH2-OD2 3.65Å; R30-D126 PolarHBondContact NH2-OD2 3.34Å; R30-Y137 VanDerWaalsContact NH2-CE2 3.32Å
31Y98.8Very high86Confident9 Ų956.8 Ų56.84%0.03532%0.316CS..EExtended strand (participates in β ladder)trans-109.1129.1171.4-71.3-85.9000110M29 V49 F57 V58 M122 Y123M29-Y31 HydrophobicContact CE-CE2 4.19Å; M29-Y31 HydrophobicContact CG-CE2 4.11Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; Y31-V49 WeakPolarHBondContact CA-O 3.25Å; Y31-F57 HydrophobicContact CE1-CZ 4.1Å; Y31-F57 AromaticContact CZ-CZ 3.83Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; Y31-V58 HydrophobicContact CE1-CG2 3.95Å; Y31-M122 WeakPolarHBondContact O-CA 3.46Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.43Å; Y31-Y123 AromaticContact CD2-CE2 3.94Å; Y31-Y123 HydrophobicContact CD2-CE2 3.94Å; Y31-Y123 AromaticContact CD2-CZ 3.89Å; Y31-Y123 HydrophobicContact CG-CE1 4.27Å; Y31-Y123 HydrophobicContact CG-CE2 4.37Å; Y31-Y123 AromaticContact CG-CZ 3.86Å; Y31-Y123 PolarHBondContact N-O 3Å; Y31-Y123 PolarHBondContact O-N 2.94Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32F98.8Very high88.5Confident85 Ų8552 Ų5237%0.37331%0.309SS..EExtended strand (participates in β ladder)trans-111.9124.9176.7-57.4-95.7000108.8R30 T48 V49 Y51 R121 M122R30-F32 HydrophobicContact CB-CE2 3.69Å; R30-F32 HydrophobicContact CB-CZ 4.02Å; F32-T48 VanDerWaalsContact O-CA 3.25Å; F32-T48 WeakPolarHBondContact O-CA 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.92Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 3.11Å; F32-V49 PolarHBondContact O-N 2.82Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-R121 WeakPolarHBondContact CA-O 3.44Å; F32-M122 HydrophobicContact CD1-CB 4.03Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.11Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.48Å; F32-M122 HydrophobicContact CZ-CG 3.93Å
33H98.7Very high90.8Very high2 Ų251.5 Ų51.51%0.00930%0.301CS..EExtended strand (participates in β ladder)trans-115.2133.4176.6-65.5-174.8000109F46 T48 N94 Y98 Q120 R121 Y123H33-F46 HydrophobicContact CB-CE2 3.94Å; H33-F46 HydrophobicContact CB-CZ 4.16Å; H33-F46 AromaticContact CG-CZ 3.91Å; H33-F46 AromaticContact ND1-CZ 3.91Å; H33-T48 VanDerWaalsContact CD2-CB 3.43Å; H33-T48 WeakPolarHBondContact CD2-CB 3.16Å; H33-T48 PolarHBondContact CD2-OG1 3.35Å; H33-T48 PolarHBondContact NE2-OG1 2.82Å; H33-N94 PolarHBondContact CE1-ND2 2.83Å; H33-Y98 HydrophobicContact CB-CE1 3.74Å; H33-Y98 WeakPolarHBondContact CB-OH 3.48Å; H33-Y98 AromaticContact ND1-CE2 3.89Å; H33-Y98 AromaticContact ND1-CZ 3.48Å; H33-Y98 PolarHBondContact ND1-OH 3.38Å; H33-Q120 CarbonylContact O-C 3.54Å; H33-Q120 VanDerWaalsContact O-CA 3.25Å; H33-Q120 WeakPolarHBondContact O-CA 3.47Å; H33-R121 HydrophobicContact CB-CB 4.23Å; H33-R121 PolarHBondContact N-O 2.89Å; H33-R121 PolarHBondContact O-N 2.86Å; H33-Y123 AromaticContact CE1-CE1 3.6Å; H33-Y123 AromaticContact NE2-CE1 3.55Å
34T98.8Very high93.2Very high39 Ų3949.9 Ų49.924%0.23930%0.297CS..EExtended strand (participates in β ladder)trans-133.3121.8175.1-56.70000109.3M36 F46 I47 T118 Q120T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.41Å; T34-F46 WeakPolarHBondContact O-CA 3.49Å; T34-I47 PolarHBondContact N-O 2.95Å; T34-I47 PolarHBondContact O-N 2.91Å; T34-T118 HydrophobicContact CG2-CG2 4.02Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å
35A98.5Very high95.2Very high1 Ų150.5 Ų50.51%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-113.7129.117000000109.9R45 F46 Y98 L102 T118 W119A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.3Å; A35-F46 HydrophobicContact CB-CD2 4.19Å; A35-Y98 HydrophobicContact CB-CD1 3.86Å; A35-Y98 HydrophobicContact CB-CG 4.24Å; A35-L102 HydrophobicContact CB-CD1 3.99Å; A35-T118 CarbonylContact O-C 3.58Å; A35-T118 WeakPolarHBondContact O-CA 3.47Å; A35-W119 HydrophobicContact CB-CB 4.45Å; A35-W119 PolarHBondContact N-O 2.89Å; A35-W119 PolarHBondContact O-N 2.8Å
36M98.3Very high96.3Very high66 Ų6649.1 Ų49.133%0.32527%0.27SS..EExtended strand (participates in β ladder)trans-121.8117.8-179-60.4171.2-65.800109.1T34 P44 R45 I47 H117 T118T34-M36 HydrophobicContact CG2-CG 4.01Å; T34-M36 HydrophobicContact CG2-SD 4.41Å; M36-P44 CarbonylContact O-C 3.47Å; M36-P44 WeakPolarHBondContact O-CA 3.36Å; M36-P44 WeakPolarHBondContact O-CB 3.14Å; M36-R45 HydrophobicContact CE-CB 4.33Å; M36-R45 HydrophobicContact CE-CG 4.42Å; M36-R45 PolarHBondContact N-O 3.22Å; M36-R45 PolarHBondContact O-N 2.9Å; M36-I47 HydrophobicContact CE-CD1 4.33Å; M36-H117 WeakPolarHBondContact CA-O 3.24Å; M36-T118 HydrophobicContact CG-CG2 4.21Å
37S97.5Very high96.7Very high18 Ų1848.3 Ų48.313%0.12626%0.262CS..  trans-67.2152.8168.779.30000110G115 S116 H117S37-G115 PolarHBondContact OG-O 2.9Å; S37-S116 PolarHBondContact O-OG 3.41Å; S37-H117 PolarHBondContact N-O 3.41Å; S37-H117 PolarHBondContact OG-N 3.02Å
38R95.4Very high96.8Very high73 Ų7346.7 Ų46.728%0.27525%0.254SS..  trans-145.872.6178.751.8172.7173.2-156.6-14.9110.7G40 R41 E43 D63R38-G40 PolarHBondContact O-N 2.95Å; R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 VanDerWaalsContact CD-O 3.31Å; R38-R41 WeakPolarHBondContact CD-O 3.45Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 3.16Å; R38-R41 WeakPolarHBondContact O-CA 3.32Å; R38-R41 PolarHBondContact O-N 3.31Å; R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.87Å; R38-E43 PolarHBondContact NH2-O 3.29Å; R38-D63 IonicContact CZ-OD1 3.55Å; R38-D63 IonicContact CZ-OD2 3.49Å; R38-D63 IonicContact NH1-OD1 3.52Å; R38-D63 IonicContact NH1-OD2 2.69Å; R38-D63 PolarHBondContact NH1-OD2 2.89Å; R38-D63 IonicContact NH2-OD1 3.48Å; R38-D63 PolarHBondContact NH2-OD1 2.82Å; R38-D63 IonicContact NH2-OD2 3.78Å; R38-D63 PolarHBondContact NH2-OD2 3.02Å
39P92.1Very high96.8Very high54 Ų5447 Ų4735%0.35126%0.255SS..THydrogen-bonded Turntrans-49.2133.7-175.6-28.236000112.6R41 E113 G115P39-R41 PolarHBondContact O-N 3.41Å; P39-E113 WeakPolarHBondContact CB-O 3.34Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-G115 WeakPolarHBondContact CG-O 3.49Å
40G91Very high96.8Very high90 Ų9047 Ų4793%0.92826%0.255SS*.THydrogen-bonded Turntrans70.61.1-176.300000116.1R38R38-G40 PolarHBondContact O-N 2.95Å
41R93.1Very high96.8Very high207 Ų20748.4 Ų48.478%0.78126%0.261SS*.SBendtrans-122.426-179.8-57.9-175.5-178.3179.71.1113.4R38 P39R38-R41 HydrophobicContact CB-CB 4.14Å; R38-R41 VanDerWaalsContact CD-O 3.31Å; R38-R41 WeakPolarHBondContact CD-O 3.45Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 3.16Å; R38-R41 WeakPolarHBondContact O-CA 3.32Å; R38-R41 PolarHBondContact O-N 3.31Å; P39-R41 PolarHBondContact O-N 3.41Å
42G91.4Very high96.8Very high58 Ų5848 Ų4860%0.59826%0.259SS*.SBendtrans92.7-167.4-179.700000113.9
43E94.4Very high96.7Very high77 Ų7745.3 Ų45.336%0.3625%0.249SC..SBendtrans-69.9155.2-177.3-71.9-79.2-154.300112.5R38 R45 R99 R103R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.87Å; R38-E43 PolarHBondContact NH2-O 3.29Å; E43-R45 PolarHBondContact O-N 3.16Å; E43-R99 IonicContact OE1-CZ 3.84Å; E43-R99 VanDerWaalsContact OE1-CZ 3.31Å; E43-R99 IonicContact OE1-NE 2.86Å; E43-R99 IonicContact OE1-NH1 2.82Å; E43-R99 PolarHBondContact OE1-NH1 2.17Å; E43-R99 IonicContact OE1-NH2 3.22Å; E43-R99 WeakPolarHBondContact OE2-CD 3.49Å; E43-R99 IonicContact OE2-CZ 2.78Å; E43-R99 IonicContact OE2-NE 3.07Å; E43-R99 PolarHBondContact OE2-NE 3.31Å; E43-R99 IonicContact OE2-NH1 2.82Å; E43-R99 IonicContact OE2-NH2 2.75Å; E43-R103 IonicContact OE1-NH2 2.7Å; E43-R103 IonicContact OE2-NH2 3.54Å; E43-R103 PolarHBondContact OE2-NH2 3.32Å
44P96.6Very high96.6Very high19 Ų1948.1 Ų48.112%0.12326%0.264CS..PPolyproline II helixtrans-52.3134.6176.9-26.735000112.7M36 R99 L102M36-P44 CarbonylContact O-C 3.47Å; M36-P44 WeakPolarHBondContact O-CA 3.36Å; M36-P44 WeakPolarHBondContact O-CB 3.14Å; P44-R99 HydrophobicContact CG-CB 4.45Å; P44-R99 HydrophobicContact CG-CG 4.17Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.9Å
45R98Very high96.6Very high77 Ų7746.9 Ų46.929%0.29126%0.256SS..EExtended strand (participates in β ladder)trans-79.7129.4174.5-177-179.5-173.3175.1-2.5109.1A35 M36 E43 I47 D61 S62 D63A35-R45 CarbonylContact C-O 3.56Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.3Å; M36-R45 HydrophobicContact CE-CB 4.33Å; M36-R45 HydrophobicContact CE-CG 4.42Å; M36-R45 PolarHBondContact N-O 3.22Å; M36-R45 PolarHBondContact O-N 2.9Å; E43-R45 PolarHBondContact O-N 3.16Å; R45-I47 HydrophobicContact CG-CG1 4.27Å; R45-D61 IonicContact CZ-OD1 2.78Å; R45-D61 IonicContact CZ-OD2 3.47Å; R45-D61 IonicContact NE-OD1 3.7Å; R45-D61 PolarHBondContact NE-OD1 3.36Å; R45-D61 IonicContact NE-OD2 2.74Å; R45-D61 VanDerWaalsContact NH2-CG 3.31Å; R45-D61 IonicContact NH2-OD1 3.33Å; R45-D61 PolarHBondContact NH2-OD1 2.91Å; R45-D61 VanDerWaalsContact NH2-OD1 3.16Å; R45-D61 IonicContact NH2-OD2 3.62Å; R45-D61 PolarHBondContact NH2-OD2 2.69Å; R45-S62 WeakPolarHBondContact CA-OG 3.24Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact CZ-OD2 3.25Å; R45-D63 IonicContact NE-OD2 3.45Å
46F98.6Very high96.5Very high2 Ų249.3 Ų49.31%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-111.6127.8174.4178.9-100.6000110.4H33 T34 A35 T48 F60 S62 N94 T95 Y98H33-F46 HydrophobicContact CB-CE2 3.94Å; H33-F46 HydrophobicContact CB-CZ 4.16Å; H33-F46 AromaticContact CG-CZ 3.91Å; H33-F46 AromaticContact ND1-CZ 3.91Å; T34-F46 WeakPolarHBondContact O-CA 3.49Å; A35-F46 HydrophobicContact CB-CD2 4.19Å; F46-T48 HydrophobicContact CE1-CG2 3.59Å; F46-T48 HydrophobicContact CZ-CG2 4.08Å; F46-F60 AromaticContact CD1-CD1 3.95Å; F46-F60 HydrophobicContact CD1-CD1 3.95Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.27Å; F46-S62 PolarHBondContact N-OG 2.99Å; F46-S62 PolarHBondContact O-N 3.15Å; F46-S62 PolarHBondContact O-OG 3.17Å; F46-N94 HydrophobicContact CE1-CB 4.01Å; F46-N94 HydrophobicContact CE2-CB 4.17Å; F46-N94 HydrophobicContact CZ-CB 3.59Å; F46-T95 HydrophobicContact CB-CG2 3.89Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.42Å; F46-Y98 HydrophobicContact CD2-CD1 4.27Å; F46-Y98 HydrophobicContact CD2-CG 4.13Å; F46-Y98 AromaticContact CE2-CD1 3.96Å; F46-Y98 HydrophobicContact CE2-CD1 3.96Å; F46-Y98 HydrophobicContact CE2-CD2 4.05Å; F46-Y98 HydrophobicContact CE2-CE1 4.18Å; F46-Y98 HydrophobicContact CE2-CE2 4.26Å; F46-Y98 AromaticContact CE2-CG 3.89Å; F46-Y98 HydrophobicContact CE2-CG 3.89Å
47I98.8Very high96.5Very high35 Ų3546.1 Ų46.118%0.17925%0.254CS..EExtended strand (participates in β ladder)trans-123.8135.9173.7-56.3176.6000107.6T34 M36 R45 F60T34-I47 PolarHBondContact N-O 2.95Å; T34-I47 PolarHBondContact O-N 2.91Å; M36-I47 HydrophobicContact CE-CD1 4.33Å; R45-I47 HydrophobicContact CG-CG1 4.27Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å
48T98.8Very high96.6Very high0 Ų045.3 Ų45.30%025%0.248CC..EExtended strand (participates in β ladder)trans-129.5138.9165.8163.50000110.3F32 H33 F46 R59 F60F32-T48 VanDerWaalsContact O-CA 3.25Å; F32-T48 WeakPolarHBondContact O-CA 3.33Å; H33-T48 VanDerWaalsContact CD2-CB 3.43Å; H33-T48 WeakPolarHBondContact CD2-CB 3.16Å; H33-T48 PolarHBondContact CD2-OG1 3.35Å; H33-T48 PolarHBondContact NE2-OG1 2.82Å; F46-T48 HydrophobicContact CE1-CG2 3.59Å; F46-T48 HydrophobicContact CZ-CG2 4.08Å; T48-R59 CarbonylContact O-C 3.49Å; T48-R59 WeakPolarHBondContact O-CA 3.48Å; T48-F60 HydrophobicContact CG2-CB 3.67Å; T48-F60 HydrophobicContact CG2-CD1 4.32Å; T48-F60 HydrophobicContact CG2-CG 4.33Å; T48-F60 PolarHBondContact N-O 3.43Å; T48-F60 PolarHBondContact O-N 3.36Å
49V98.9Very high96.7Very high29 Ų2945.7 Ų45.718%0.17625%0.249CC..EExtended strand (participates in β ladder)trans-126.1145170.4-69.30000109.7Y31 F32 Y51 L56 V58 R59Y31-V49 WeakPolarHBondContact CA-O 3.25Å; F32-V49 HydrophobicContact CB-CG2 3.92Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 3.11Å; F32-V49 PolarHBondContact O-N 2.82Å; V49-Y51 HydrophobicContact CB-CE2 4.08Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-L56 HydrophobicContact CB-CD1 3.69Å; V49-L56 HydrophobicContact CG1-CD1 3.91Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; V49-R59 HydrophobicContact CG1-CB 4.4Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50G98.8Very high97.1Very high0 Ų043.2 Ų43.20%023%0.233CC..EExtended strand (participates in β ladder)trans-119135.4174.100000110.3F57 V58G50-F57 WeakPolarHBondContact O-CD1 3.35Å; G50-F57 PolarHBondContact O-N 3.49Å; G50-V58 PolarHBondContact N-O 3.15Å; G50-V58 PolarHBondContact O-N 3.47Å
51Y98.7Very high97.4Very high75 Ų7539.7 Ų39.729%0.29419%0.193SC..EExtended strand (participates in β ladder)trans-121.6142.2178.9-79.6-102.6000110.4M29 R30 F32 V49 D53 T55 L56M29-Y51 WeakPolarHBondContact CA-O 3.46Å; R30-Y51 PolarHBondContact N-O 3.45Å; R30-Y51 PolarHBondContact O-N 2.85Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.08Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-D53 WeakPolarHBondContact CB-O 3.47Å; Y51-T55 WeakPolarHBondContact CA-O 3.38Å; Y51-L56 HydrophobicContact CD1-CB 4.24Å; Y51-L56 HydrophobicContact CD2-CD1 4.06Å; Y51-L56 HydrophobicContact CE1-CB 3.72Å; Y51-L56 HydrophobicContact CE2-CB 4.26Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.47Å
52V98.4Very high97.7Very high0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-111.4118.2156.7176.70000106.1S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.3Å; V52-D54 PolarHBondContact O-N 2.81Å; V52-T55 PolarHBondContact N-O 2.93Å; V52-T55 WeakPolarHBondContact O-CA 3.48Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.3Å; V52-F57 HydrophobicContact CG2-CD1 3.96Å; V52-F57 HydrophobicContact CG2-CE1 3.92Å; V52-W75 HydrophobicContact CB-CH2 4.32Å; V52-W75 HydrophobicContact CB-CZ2 4.38Å; V52-W75 HydrophobicContact CG2-CH2 3.83Å; V52-W75 HydrophobicContact CG2-CZ2 4.38Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.5Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; V52-L203 HydrophobicContact CB-CD1 4.3Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å
53D96.7Very high97.9Very high29 Ų2931.4 Ų31.416%0.15515%0.152CC..THydrogen-bonded Turntrans47.2-130.9-164.5-51.9-43.4000110.4H27 S28 Y51 T55H27-D53 VanDerWaalsContact CA-OD1 3.31Å; H27-D53 WeakPolarHBondContact CA-OD1 3.36Å; H27-D53 IonicContact CE1-OD2 3.05Å; H27-D53 IonicContact CG-OD2 3.51Å; H27-D53 IonicContact ND1-OD1 2.79Å; H27-D53 IonicContact ND1-OD2 3.44Å; H27-D53 PolarHBondContact ND1-OD2 2.84Å; S28-D53 PolarHBondContact N-OD1 3.24Å; S28-D53 PolarHBondContact O-N 3.13Å; S28-D53 PolarHBondContact OG-OD1 3.11Å; Y51-D53 WeakPolarHBondContact CB-O 3.47Å; D53-T55 VanDerWaalsContact C-N 3.25Å; D53-T55 PolarHBondContact O-N 2.96Å
54D96.8Very high98.1Very high61 Ų6129.5 Ų29.533%0.32615%0.149SC..THydrogen-bonded Turntrans-83.56.5177-61.4-61.7000114.1V52 Y233 P234 A235 F265V52-D54 PolarHBondContact O-N 2.81Å; D54-Y233 HydrophobicContact CB-CE2 3.88Å; D54-P234 VanDerWaalsContact OD2-CB 3.26Å; D54-P234 WeakPolarHBondContact OD2-CB 3.17Å; D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.46Å; D54-A235 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 PolarHBondContact OD2-N 3.36Å; D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.76Å
55T97.2Very high98Very high13 Ų1336.1 Ų36.18%0.0819%0.19CC..EExtended strand (participates in β ladder)trans-99.1110.4-176.7-580000112.1Y51 V52 D53 F57 A73 L203 Y233 R263Y51-T55 WeakPolarHBondContact CA-O 3.38Å; V52-T55 PolarHBondContact N-O 2.93Å; V52-T55 WeakPolarHBondContact O-CA 3.48Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.3Å; D53-T55 VanDerWaalsContact C-N 3.25Å; D53-T55 PolarHBondContact O-N 2.96Å; T55-F57 PolarHBondContact O-N 2.99Å; T55-A73 HydrophobicContact CG2-CB 4.41Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.01Å; T55-Y233 PolarHBondContact OG1-OH 2.86Å; T55-R263 PolarHBondContact OG1-NE 2.97Å
56L98Very high97.9Very high52 Ų5236 Ų3627%0.27220%0.201SC..EExtended strand (participates in β ladder)trans-63122.7170.7177.370.6000110.3V49 Y51 R72V49-L56 HydrophobicContact CB-CD1 3.69Å; V49-L56 HydrophobicContact CG1-CD1 3.91Å; Y51-L56 HydrophobicContact CD1-CB 4.24Å; Y51-L56 HydrophobicContact CD2-CD1 4.06Å; Y51-L56 HydrophobicContact CE1-CB 3.72Å; Y51-L56 HydrophobicContact CE2-CB 4.26Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.47Å; L56-R72 HydrophobicContact CD2-CB 3.96Å; L56-R72 HydrophobicContact CD2-CG 4.01Å; L56-R72 HydrophobicContact CG-CB 3.79Å; L56-R72 HydrophobicContact CG-CG 4.15Å; L56-R72 CarbonylContact O-C 3.58Å
57F98.3Very high97.9Very high0 Ų037.6 Ų37.60%021%0.211CC..EExtended strand (participates in β ladder)trans-119.5-25.4-178.978.8-84000114.9M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.22Å; Y31-F57 HydrophobicContact CE1-CZ 4.1Å; Y31-F57 AromaticContact CZ-CZ 3.83Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; G50-F57 WeakPolarHBondContact O-CD1 3.35Å; G50-F57 PolarHBondContact O-N 3.49Å; V52-F57 HydrophobicContact CG2-CD1 3.96Å; V52-F57 HydrophobicContact CG2-CE1 3.92Å; T55-F57 PolarHBondContact O-N 2.99Å; F57-R72 PolarHBondContact O-N 2.9Å; F57-A73 HydrophobicContact CB-CB 4.12Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.01Å; F57-W75 AromaticContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CH2 3.68Å; F57-W75 AromaticContact CD2-CZ3 3.92Å; F57-W75 HydrophobicContact CD2-CZ3 3.92Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.11Å; F57-I76 HydrophobicContact CD2-CB 4.34Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.18Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 2.94Å; F57-Y195 HydrophobicContact CD2-CE2 4.48Å; F57-Y195 HydrophobicContact CE2-CD2 4.11Å; F57-Y195 AromaticContact CE2-CE2 3.55Å; F57-Y195 HydrophobicContact CE2-CE2 3.55Å; F57-Y195 AromaticContact CE2-CZ 3.88Å; F57-Y195 HydrophobicContact CZ-CD2 4.13Å; F57-Y195 AromaticContact CZ-CE2 3.66Å; F57-Y195 HydrophobicContact CZ-CE2 3.66Å
58V98.6Very high97.8Very high0 Ų042.5 Ų42.50%023%0.227CC..EExtended strand (participates in β ladder)trans-140150.3174.5-72.90000113.2Y31 V49 G50 K69 E70 I76 W84Y31-V58 HydrophobicContact CE1-CG2 3.95Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; G50-V58 PolarHBondContact N-O 3.15Å; G50-V58 PolarHBondContact O-N 3.47Å; V58-K69 HydrophobicContact CB-CD 4.12Å; V58-K69 HydrophobicContact CB-CG 4.1Å; V58-K69 HydrophobicContact CG1-CG 4.2Å; V58-K69 HydrophobicContact CG2-CD 4.38Å; V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.42Å; V58-I76 HydrophobicContact CG1-CG1 4.3Å; V58-W84 HydrophobicContact CG1-CH2 3.97Å; V58-W84 HydrophobicContact CG1-CZ3 3.87Å
59R98.6Very high97.8Very high82 Ų8243 Ų4331%0.30923%0.23SC..EExtended strand (participates in β ladder)trans-134.5151.4171.6179.9176.1174.9133.30.9111T48 V49 D61 K69 E70 R72T48-R59 CarbonylContact O-C 3.49Å; T48-R59 WeakPolarHBondContact O-CA 3.48Å; V49-R59 HydrophobicContact CG1-CB 4.4Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact CZ-OD2 3.84Å; R59-D61 IonicContact NE-OD2 3.73Å; R59-D61 IonicContact NH2-OD2 3.4Å; R59-D61 PolarHBondContact NH2-OD2 3.08Å; R59-K69 CarbonylContact O-C 3.58Å; R59-K69 WeakPolarHBondContact O-CA 3.31Å; R59-E70 PolarHBondContact N-O 2.81Å; R59-E70 PolarHBondContact O-N 3.22Å; R59-R72 HydrophobicContact CB-CG 3.98Å
60F98.8Very high97.8Very high2 Ų244.7 Ų44.71%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-140145.4159.4170.3-76.1000108.6F46 I47 T48 P67 R68 K69 S91 K92F46-F60 AromaticContact CD1-CD1 3.95Å; F46-F60 HydrophobicContact CD1-CD1 3.95Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.27Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å; T48-F60 HydrophobicContact CG2-CB 3.67Å; T48-F60 HydrophobicContact CG2-CD1 4.32Å; T48-F60 HydrophobicContact CG2-CG 4.33Å; T48-F60 PolarHBondContact N-O 3.43Å; T48-F60 PolarHBondContact O-N 3.36Å; F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.74Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; F60-R68 VanDerWaalsContact CD2-C 3.45Å; F60-R68 VanDerWaalsContact CD2-O 3.31Å; F60-R68 WeakPolarHBondContact CD2-O 3.32Å; F60-K69 HydrophobicContact CB-CD 4.07Å; F60-S91 VanDerWaalsContact CD2-CB 3.4Å; F60-K92 HydrophobicContact CE2-CG 4.06Å; F60-K92 HydrophobicContact CZ-CG 4.05Å
61D98.6Very high97.8Very high15 Ų1547 Ų478%0.0825%0.251CS..EExtended strand (participates in β ladder)trans-139.2121.6179-158.3-36.1000109.1R45 R59 D63 A64R45-D61 IonicContact CZ-OD1 2.78Å; R45-D61 IonicContact CZ-OD2 3.47Å; R45-D61 IonicContact NE-OD1 3.7Å; R45-D61 PolarHBondContact NE-OD1 3.36Å; R45-D61 IonicContact NE-OD2 2.74Å; R45-D61 VanDerWaalsContact NH2-CG 3.31Å; R45-D61 IonicContact NH2-OD1 3.33Å; R45-D61 PolarHBondContact NH2-OD1 2.91Å; R45-D61 VanDerWaalsContact NH2-OD1 3.16Å; R45-D61 IonicContact NH2-OD2 3.62Å; R45-D61 PolarHBondContact NH2-OD2 2.69Å; R59-D61 IonicContact CZ-OD2 3.84Å; R59-D61 IonicContact NE-OD2 3.73Å; R59-D61 IonicContact NH2-OD2 3.4Å; R59-D61 PolarHBondContact NH2-OD2 3.08Å; D61-D63 PolarHBondContact O-N 2.81Å; D61-D63 PolarHBondContact OD1-N 3.11Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 2.87Å
62S98.2Very high97.7Very high27 Ų2749.3 Ų49.319%0.18926%0.259CS..THydrogen-bonded Turntrans-66.4-20.8-177.767.80000113.6R45 F46R45-S62 WeakPolarHBondContact CA-OG 3.24Å; F46-S62 PolarHBondContact N-OG 2.99Å; F46-S62 PolarHBondContact O-N 3.15Å; F46-S62 PolarHBondContact O-OG 3.17Å
63D97.3Very high97.6Very high65 Ų6549.5 Ų49.535%0.34826%0.261SS..THydrogen-bonded Turntrans-89.9-1.4-178.9-75.310.9000112.8R38 R45 D61R38-D63 IonicContact CZ-OD1 3.55Å; R38-D63 IonicContact CZ-OD2 3.49Å; R38-D63 IonicContact NH1-OD1 3.52Å; R38-D63 IonicContact NH1-OD2 2.69Å; R38-D63 PolarHBondContact NH1-OD2 2.89Å; R38-D63 IonicContact NH2-OD1 3.48Å; R38-D63 PolarHBondContact NH2-OD1 2.82Å; R38-D63 IonicContact NH2-OD2 3.78Å; R38-D63 PolarHBondContact NH2-OD2 3.02Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact CZ-OD2 3.25Å; R45-D63 IonicContact NE-OD2 3.45Å; D61-D63 PolarHBondContact O-N 2.81Å; D61-D63 PolarHBondContact OD1-N 3.11Å
64A96.9Very high97.7Very high36 Ų3653.1 Ų53.130%0.29829%0.286SS..SBendtrans-65.1148.7172.900000111.1D61 S66 P67D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 2.87Å; A64-S66 PolarHBondContact O-N 2.93Å; A64-S66 VanDerWaalsContact O-N 3.12Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.49Å
65T95.9Very high97.6Very high158 Ų15851 Ų5197%0.96927%0.273SS*.SBendtrans-58.8-28.3179.5-470000113.2
66S96.1Very high97.7Very high74 Ų7450.4 Ų50.452%0.51727%0.27SS..SBendtrans-138.585.4173.9-173.30000108.9A64 R68A64-S66 PolarHBondContact O-N 2.93Å; A64-S66 VanDerWaalsContact O-N 3.12Å; S66-R68 PolarHBondContact O-N 2.84Å
67P97.2Very high97.6Very high36 Ų3653.8 Ų53.823%0.23428%0.284CS..  trans-63111.8-173.3-24.835.8000112.2F60 A64 K92F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.74Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; A64-P67 WeakPolarHBondContact O-CD 3.41Å; A64-P67 VanDerWaalsContact O-CG 3.27Å; A64-P67 WeakPolarHBondContact O-CG 3.49Å; P67-K92 WeakPolarHBondContact O-CE 3.29Å
68R98.1Very high97.5Very high138 Ų13859.9 Ų59.952%0.52131%0.312SS..  trans-137.2160.1177.7-66.4-171.9178-139-1.5110F60 S66 T88F60-R68 VanDerWaalsContact CD2-C 3.45Å; F60-R68 VanDerWaalsContact CD2-O 3.31Å; F60-R68 WeakPolarHBondContact CD2-O 3.32Å; S66-R68 PolarHBondContact O-N 2.84Å; R68-T88 HydrophobicContact CB-CG2 4.38Å; R68-T88 HydrophobicContact CG-CG2 4.27Å
69K98.4Very high97.5Very high11 Ų1160.4 Ų60.45%0.04832%0.315CS..  trans-74.4125.7165.7-16378.8113.7-1710107.1V58 R59 F60 W84 E87 T88 S91V58-K69 HydrophobicContact CB-CD 4.12Å; V58-K69 HydrophobicContact CB-CG 4.1Å; V58-K69 HydrophobicContact CG1-CG 4.2Å; V58-K69 HydrophobicContact CG2-CD 4.38Å; R59-K69 CarbonylContact O-C 3.58Å; R59-K69 WeakPolarHBondContact O-CA 3.31Å; F60-K69 HydrophobicContact CB-CD 4.07Å; K69-W84 HydrophobicContact CB-CE3 4.22Å; K69-W84 HydrophobicContact CB-CZ3 4.43Å; K69-W84 HydrophobicContact CG-CE3 4.37Å; K69-W84 HydrophobicContact CG-CZ3 4.14Å; K69-E87 HydrophobicContact CB-CB 3.99Å; K69-E87 HydrophobicContact CG-CB 3.93Å; K69-T88 PolarHBondContact N-OG1 3.05Å; K69-S91 WeakPolarHBondContact CE-OG 3.39Å; K69-S91 PolarHBondContact NZ-OG 2.88Å
70E98.3Very high97.4Very high64 Ų6458.2 Ų58.230%0.29932%0.317SS..EExtended strand (participates in β ladder)trans-113.8138.8-174.8-63.3172.6157.200110.1V58 R59 R72V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.42Å; R59-E70 PolarHBondContact N-O 2.81Å; R59-E70 PolarHBondContact O-N 3.22Å; E70-R72 IonicContact OE2-CZ 3.98Å; E70-R72 IonicContact OE2-NE 3.74Å; E70-R72 IonicContact OE2-NH2 3.92Å; E70-R72 PolarHBondContact OE2-NH2 3.17Å
71P98.3Very high97.4Very high49 Ų4962.9 Ų62.932%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-65.8148.9170.628.7-34.4000111.2I76 E77 W84P71-I76 HydrophobicContact CB-CG2 3.71Å; P71-E77 HydrophobicContact CB-CG 3.68Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.39Å
72R97.8Very high97.3Very high123 Ų12370.3 Ų70.346%0.46438%0.382SS..  trans-135.2-0.5175.1-61.9-65.2168.8178-2.8113.6L56 F57 R59 E70L56-R72 HydrophobicContact CD2-CB 3.96Å; L56-R72 HydrophobicContact CD2-CG 4.01Å; L56-R72 HydrophobicContact CG-CB 3.79Å; L56-R72 HydrophobicContact CG-CG 4.15Å; L56-R72 CarbonylContact O-C 3.58Å; F57-R72 PolarHBondContact O-N 2.9Å; R59-R72 HydrophobicContact CB-CG 3.98Å; E70-R72 IonicContact OE2-CZ 3.98Å; E70-R72 IonicContact OE2-NE 3.74Å; E70-R72 IonicContact OE2-NH2 3.92Å; E70-R72 PolarHBondContact OE2-NH2 3.17Å
73A96.6Very high97.3Very high5 Ų569.5 Ų69.54%0.04138%0.375CS..SBendtrans-136.9144.3171.200000110.2T55 F57 W75 I76T55-A73 HydrophobicContact CG2-CB 4.41Å; F57-A73 HydrophobicContact CB-CB 4.12Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.25Å; A73-W75 HydrophobicContact CB-CG 4.41Å; A73-W75 HydrophobicContact CB-CZ2 4.12Å; A73-W75 PolarHBondContact O-N 3.18Å; A73-I76 WeakPolarHBondContact O-CG2 3.11Å; A73-I76 PolarHBondContact O-N 3.23Å
74P96.8Very high97.4Very high105 Ų10568.3 Ų68.368%0.68237%0.366SS*.G310 helixtrans-59.1-35.7-175.6-26.835.3000114.1I76 E77P74-I76 PolarHBondContact O-N 3.02Å; P74-E77 WeakPolarHBondContact O-CB 3.5Å; P74-E77 PolarHBondContact O-N 2.96Å; P74-E77 VanDerWaalsContact O-N 3.09Å
75W96.7Very high97.4Very high17 Ų1771.1 Ų71.16%0.06438%0.376CS..G310 helixtrans-70.2-12.2-176.255.2-107.8000114.9V52 F57 A73 Y195 N198 L203V52-W75 HydrophobicContact CB-CH2 4.32Å; V52-W75 HydrophobicContact CB-CZ2 4.38Å; V52-W75 HydrophobicContact CG2-CH2 3.83Å; V52-W75 HydrophobicContact CG2-CZ2 4.38Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.01Å; F57-W75 AromaticContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CH2 3.68Å; F57-W75 AromaticContact CD2-CZ3 3.92Å; F57-W75 HydrophobicContact CD2-CZ3 3.92Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.06Å; F57-W75 HydrophobicContact CG-CZ3 4.11Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.25Å; A73-W75 HydrophobicContact CB-CG 4.41Å; A73-W75 HydrophobicContact CB-CZ2 4.12Å; A73-W75 PolarHBondContact O-N 3.18Å; W75-Y195 HydrophobicContact CE3-CD1 4.4Å; W75-Y195 HydrophobicContact CH2-CD2 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.14Å; W75-Y195 AromaticContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD2 4.25Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; W75-N198 HydrophobicContact CB-CB 4.45Å; W75-N198 WeakPolarHBondContact CB-O 3.42Å; W75-L203 HydrophobicContact CD2-CD1 4.38Å; W75-L203 HydrophobicContact CH2-CD1 4.31Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.04Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å
76I97.9Very high97.5Very high0 Ų068.9 Ų68.90%035%0.35CS..G310 helixtrans-91.5-19.9171.8-163.773000111.9F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195F57-I76 HydrophobicContact CD2-CB 4.34Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.18Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 2.94Å; V58-I76 HydrophobicContact CG1-CG1 4.3Å; P71-I76 HydrophobicContact CB-CG2 3.71Å; A73-I76 WeakPolarHBondContact O-CG2 3.11Å; A73-I76 PolarHBondContact O-N 3.23Å; P74-I76 PolarHBondContact O-N 3.02Å; I76-Q78 PolarHBondContact O-N 3.44Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; I76-E79 HydrophobicContact CD1-CG 3.63Å; I76-E79 HydrophobicContact CG1-CG 4.18Å; I76-E79 WeakPolarHBondContact O-CB 3.19Å; I76-E79 WeakPolarHBondContact O-CG 3.37Å; I76-E79 PolarHBondContact O-N 2.93Å; I76-Y83 HydrophobicContact CD1-CE1 4.08Å; I76-Y83 HydrophobicContact CG1-CE1 4.09Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.76Å; I76-W84 HydrophobicContact CG1-CZ2 3.94Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 HydrophobicContact CG2-CZ2 4.35Å; I76-W84 WeakPolarHBondContact O-CZ2 3.37Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.27Å
77E96.9Very high97.6Very high123 Ų12366.4 Ų66.458%0.57533%0.33SS*.THydrogen-bonded Turntrans-63.7-23.2-176.1-64.5-180-169.700113.3P71 P74 E79P71-E77 HydrophobicContact CB-CG 3.68Å; P71-E77 HydrophobicContact CG-CG 3.99Å; P74-E77 WeakPolarHBondContact O-CB 3.5Å; P74-E77 PolarHBondContact O-N 2.96Å; P74-E77 VanDerWaalsContact O-N 3.09Å; E77-E79 PolarHBondContact O-N 3.28Å
78Q96Very high97.7Very high127 Ų12765.1 Ų65.159%0.59332%0.321SS*.THydrogen-bonded Turntrans-73.2-9.4174.467.7178.614.400114.5I76 N198I76-Q78 PolarHBondContact O-N 3.44Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-N198 PolarHBondContact NE2-ND2 3.04Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.14Å; Q78-N198 PolarHBondContact NE2-OD1 2.84Å
79E97.6Very high97.7Very high12 Ų1264 Ų646%0.05632%0.322CS..SBendtrans-68136.8175-67.2-61.6164.100111.2I76 E77 Y83 W84 R194 N198I76-E79 HydrophobicContact CD1-CG 3.63Å; I76-E79 HydrophobicContact CG1-CG 4.18Å; I76-E79 WeakPolarHBondContact O-CB 3.19Å; I76-E79 WeakPolarHBondContact O-CG 3.37Å; I76-E79 PolarHBondContact O-N 2.93Å; E77-E79 PolarHBondContact O-N 3.28Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CG 3.86Å; E79-Y83 HydrophobicContact CG-CD1 4.05Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.29Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 2.97Å; E79-R194 VanDerWaalsContact CD-NH2 3.35Å; E79-R194 IonicContact OE1-CZ 2.82Å; E79-R194 IonicContact OE1-NE 2.78Å; E79-R194 PolarHBondContact OE1-NE 2.98Å; E79-R194 IonicContact OE1-NH2 2.74Å; E79-R194 PolarHBondContact OE1-NH2 3.44Å; E79-R194 IonicContact OE2-CZ 3.28Å; E79-R194 IonicContact OE2-NE 3.89Å; E79-R194 IonicContact OE2-NH2 3.07Å; E79-R194 PolarHBondContact OE2-NH2 3.13Å; E79-N198 PolarHBondContact OE1-ND2 3.5Å
80G97.2Very high97.7Very high35 Ų3566.2 Ų66.236%0.36134%0.337SS..  trans-69.1167.2-173.400000114.5E82 Y83 W84G80-E82 PolarHBondContact O-N 2.02Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 2.75Å; G80-W84 VanDerWaalsContact O-CD1 3.31Å; G80-W84 PolarHBondContact O-N 2.69Å
81P97.7Very high97.7Very high101 Ų10163.1 Ų63.166%0.65632%0.322SS*.Hα-helixtrans-57.3-34.5-177.923.2-33.8000113.2Y83 W84 D85P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.76Å; P81-W84 PolarHBondContact O-N 2.81Å; P81-W84 VanDerWaalsContact O-N 3.15Å; P81-D85 WeakPolarHBondContact O-CB 3.38Å; P81-D85 PolarHBondContact O-N 2.96Å
82E97.9Very high97.7Very high171 Ų17165 Ų6580%0.79933%0.325SS*.Hα-helixtrans-58.8-37.2176.9-61.9-179178.300113G80 R86G80-E82 PolarHBondContact O-N 2.02Å; E82-R86 WeakPolarHBondContact O-CB 3.18Å; E82-R86 PolarHBondContact O-N 2.85Å
83Y98.1Very high97.7Very high10 Ų1062.5 Ų62.54%0.03932%0.324CS..Hα-helixtrans-65.7-51.3173.9169.6-95.9000110.2I76 E79 G80 P81 D85 R86 E87 W191 Y195I76-Y83 HydrophobicContact CD1-CE1 4.08Å; I76-Y83 HydrophobicContact CG1-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CD1 3.5Å; E79-Y83 HydrophobicContact CB-CE1 4.11Å; E79-Y83 HydrophobicContact CB-CG 3.86Å; E79-Y83 HydrophobicContact CG-CD1 4.05Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.29Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 2.75Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.76Å; Y83-D85 PolarHBondContact O-N 2.8Å; Y83-R86 PolarHBondContact O-N 2.75Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 3.91Å; Y83-E87 HydrophobicContact CE1-CG 4.09Å; Y83-E87 HydrophobicContact CE2-CG 3.54Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CB 3.44Å; Y83-E87 WeakPolarHBondContact O-CG 3.47Å; Y83-E87 PolarHBondContact O-N 2.82Å; Y83-W191 AromaticContact CD2-CH2 3.72Å; Y83-W191 HydrophobicContact CD2-CH2 3.72Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 HydrophobicContact CD2-CZ3 4.02Å; Y83-W191 HydrophobicContact CE2-CE3 4.49Å; Y83-W191 HydrophobicContact CE2-CH2 4.13Å; Y83-W191 HydrophobicContact CE2-CZ3 4.06Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 PolarHBondContact OH-OH 2.94Å; Y83-Y195 VanDerWaalsContact OH-OH 3.05Å
84W98.5Very high97.7Very high39 Ų3963.4 Ų63.415%0.14833%0.328CS..Hα-helixtrans-62.8-39.1-178.1-66111.3000113.5V58 K69 P71 I76 E79 G80 P81 T88V58-W84 HydrophobicContact CG1-CH2 3.97Å; V58-W84 HydrophobicContact CG1-CZ3 3.87Å; K69-W84 HydrophobicContact CB-CE3 4.22Å; K69-W84 HydrophobicContact CB-CZ3 4.43Å; K69-W84 HydrophobicContact CG-CE3 4.37Å; K69-W84 HydrophobicContact CG-CZ3 4.14Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.39Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.76Å; I76-W84 HydrophobicContact CG1-CZ2 3.94Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 HydrophobicContact CG2-CZ2 4.35Å; I76-W84 WeakPolarHBondContact O-CZ2 3.37Å; E79-W84 VanDerWaalsContact O-CD1 3.29Å; E79-W84 PolarHBondContact O-NE1 2.97Å; G80-W84 VanDerWaalsContact O-CD1 3.31Å; G80-W84 PolarHBondContact O-N 2.69Å; P81-W84 PolarHBondContact O-N 2.81Å; P81-W84 VanDerWaalsContact O-N 3.15Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 2.81Å; W84-T88 PolarHBondContact O-OG1 3.43Å
85D98.3Very high97.8Very high96 Ų9659 Ų5951%0.51330%0.299SS..Hα-helixtrans-69.1-43176-76.5-25.8000111.3P81 Y83 T88 Q89P81-D85 WeakPolarHBondContact O-CB 3.38Å; P81-D85 PolarHBondContact O-N 2.96Å; Y83-D85 PolarHBondContact O-N 2.8Å; D85-T88 PolarHBondContact O-N 2.86Å; D85-Q89 WeakPolarHBondContact O-CB 3.44Å; D85-Q89 PolarHBondContact O-N 3.23Å
86R98.1Very high97.8Very high110 Ų11063 Ų6342%0.41532%0.319SS..Hα-helixtrans-60.9-51.9174.9-172.4-171.174.8-160.6-0111.7E82 Y83 T88 Q89 V90 W191E82-R86 WeakPolarHBondContact O-CB 3.18Å; E82-R86 PolarHBondContact O-N 2.85Å; Y83-R86 PolarHBondContact O-N 2.75Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 2.88Å; R86-Q89 PolarHBondContact O-N 2.94Å; R86-Q89 VanDerWaalsContact O-N 3.11Å; R86-V90 WeakPolarHBondContact O-CG2 3.32Å; R86-V90 PolarHBondContact O-N 3.2Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.29Å
87E98.3Very high97.7Very high22 Ų2265.9 Ų65.910%0.10334%0.336CS..Hα-helixtrans-67.1-30.9-178.7-66.4-45.9127.600112.6K69 Y83 S91K69-E87 HydrophobicContact CB-CB 3.99Å; K69-E87 HydrophobicContact CG-CB 3.93Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 3.91Å; Y83-E87 HydrophobicContact CE1-CG 4.09Å; Y83-E87 HydrophobicContact CE2-CG 3.54Å; Y83-E87 HydrophobicContact CG-CG 4.31Å; Y83-E87 WeakPolarHBondContact O-CB 3.44Å; Y83-E87 WeakPolarHBondContact O-CG 3.47Å; Y83-E87 PolarHBondContact O-N 2.82Å; E87-S91 WeakPolarHBondContact O-CB 3.32Å; E87-S91 PolarHBondContact O-N 3.44Å; E87-S91 PolarHBondContact O-OG 2.99Å
88T98.6Very high97.7Very high9 Ų960.3 Ų60.36%0.05531%0.31CS..Hα-helixtrans-64.3-47.4168.9-68.30000110.9R68 K69 W84 D85 R86 S91 K92R68-T88 HydrophobicContact CB-CG2 4.38Å; R68-T88 HydrophobicContact CG-CG2 4.27Å; K69-T88 PolarHBondContact N-OG1 3.05Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 2.81Å; W84-T88 PolarHBondContact O-OG1 3.43Å; D85-T88 PolarHBondContact O-N 2.86Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 2.88Å; T88-S91 PolarHBondContact O-N 2.79Å; T88-K92 HydrophobicContact CG2-CD 4.08Å; T88-K92 WeakPolarHBondContact O-CG 3.2Å; T88-K92 PolarHBondContact O-N 3.32Å
89Q98.4Very high97.7Very high114 Ų11456.5 Ų56.553%0.53329%0.29SS..Hα-helixtrans-66.1-41.9-179-173.158.520.900111.8D85 R86 S91 K92 T93D85-Q89 WeakPolarHBondContact O-CB 3.44Å; D85-Q89 PolarHBondContact O-N 3.23Å; R86-Q89 PolarHBondContact O-N 2.94Å; R86-Q89 VanDerWaalsContact O-N 3.11Å; Q89-S91 VanDerWaalsContact C-N 3.31Å; Q89-S91 PolarHBondContact O-N 2.94Å; Q89-K92 PolarHBondContact O-N 2.8Å; Q89-T93 PolarHBondContact O-N 2.81Å; Q89-T93 PolarHBondContact O-OG1 3.12Å; Q89-T93 VanDerWaalsContact O-OG1 3.13Å
90V97.7Very high97.7Very high58 Ų5861.5 Ų61.535%0.35231%0.313SS..Hα-helixtrans-56.9-44.6171.7169.90000111R86 K92 T93 N94R86-V90 WeakPolarHBondContact O-CG2 3.32Å; R86-V90 PolarHBondContact O-N 3.2Å; V90-K92 PolarHBondContact O-N 2.9Å; V90-T93 PolarHBondContact O-N 3.49Å; V90-N94 WeakPolarHBondContact O-CB 3.15Å; V90-N94 PolarHBondContact O-N 2.79Å; V90-N94 PolarHBondContact O-ND2 2.97Å
91S98.3Very high97.7Very high0 Ų061.7 Ų61.70%031%0.306CS..Hα-helixtrans-66.8-35.3178.9-54.50000112.6F60 K69 E87 T88 Q89 T95F60-S91 VanDerWaalsContact CD2-CB 3.4Å; K69-S91 WeakPolarHBondContact CE-OG 3.39Å; K69-S91 PolarHBondContact NZ-OG 2.88Å; E87-S91 WeakPolarHBondContact O-CB 3.32Å; E87-S91 PolarHBondContact O-N 3.44Å; E87-S91 PolarHBondContact O-OG 2.99Å; T88-S91 PolarHBondContact O-N 2.79Å; Q89-S91 VanDerWaalsContact C-N 3.31Å; Q89-S91 PolarHBondContact O-N 2.94Å; S91-T95 PolarHBondContact O-N 3.03Å; S91-T95 PolarHBondContact O-OG1 3.16Å
92K98Very high97.7Very high88 Ų8857.1 Ų57.138%0.38328%0.276SS..Hα-helixtrans-68.7-41.9173.1-73.6174.5179.11740112.7F60 P67 T88 Q89 V90 T95 Q96F60-K92 HydrophobicContact CE2-CG 4.06Å; F60-K92 HydrophobicContact CZ-CG 4.05Å; P67-K92 WeakPolarHBondContact O-CE 3.29Å; T88-K92 HydrophobicContact CG2-CD 4.08Å; T88-K92 WeakPolarHBondContact O-CG 3.2Å; T88-K92 PolarHBondContact O-N 3.32Å; Q89-K92 PolarHBondContact O-N 2.8Å; V90-K92 PolarHBondContact O-N 2.9Å; K92-T95 WeakPolarHBondContact O-CB 3.24Å; K92-T95 PolarHBondContact O-N 2.9Å; K92-Q96 PolarHBondContact O-N 3.35Å
93T98.1Very high97.6Very high70 Ų7055 Ų5543%0.42926%0.261SS..Hα-helixtrans-60.5-49.5173.1-60.20000110.5Q89 V90 T95 Q96 T97Q89-T93 PolarHBondContact O-N 2.81Å; Q89-T93 PolarHBondContact O-OG1 3.12Å; Q89-T93 VanDerWaalsContact O-OG1 3.13Å; V90-T93 PolarHBondContact O-N 3.49Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.76Å; T93-Q96 PolarHBondContact O-N 3.43Å; T93-T97 PolarHBondContact O-N 3.24Å; T93-T97 PolarHBondContact O-OG1 2.74Å
94N97.5Very high97.5Very high25 Ų2556 Ų5613%0.13427%0.267CS..Hα-helixtrans-57-37.6176-75.1-35.4000112.5H33 F46 V90 Q96 T97 Y98H33-N94 PolarHBondContact CE1-ND2 2.83Å; F46-N94 HydrophobicContact CE1-CB 4.01Å; F46-N94 HydrophobicContact CE2-CB 4.17Å; F46-N94 HydrophobicContact CZ-CB 3.59Å; V90-N94 WeakPolarHBondContact O-CB 3.15Å; V90-N94 PolarHBondContact O-N 2.79Å; V90-N94 PolarHBondContact O-ND2 2.97Å; N94-Q96 PolarHBondContact O-N 3.06Å; N94-T97 PolarHBondContact O-N 2.8Å; N94-Y98 HydrophobicContact CB-CD2 4.31Å; N94-Y98 HydrophobicContact CB-CE2 4.29Å; N94-Y98 WeakPolarHBondContact O-CB 3.39Å; N94-Y98 WeakPolarHBondContact O-CD2 3.25Å; N94-Y98 PolarHBondContact O-N 3.19Å
95T97.7Very high97.5Very high13 Ų1354.2 Ų54.28%0.0826%0.26CS..Hα-helixtrans-56.9-37175-57.60000112.2F46 S91 K92 T93 R99F46-T95 HydrophobicContact CB-CG2 3.89Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.42Å; S91-T95 PolarHBondContact O-N 3.03Å; S91-T95 PolarHBondContact O-OG1 3.16Å; K92-T95 WeakPolarHBondContact O-CB 3.24Å; K92-T95 PolarHBondContact O-N 2.9Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.76Å; T95-R99 WeakPolarHBondContact O-CB 3.26Å; T95-R99 PolarHBondContact O-N 3.3Å
96Q97.3Very high97.4Very high100 Ų10051 Ų5147%0.46724%0.243SC..Hα-helixtrans-78.7-44.8176.3-58-55.2-34.200112.2K92 T93 N94 Y98 R99 E100K92-Q96 PolarHBondContact O-N 3.35Å; T93-Q96 PolarHBondContact O-N 3.43Å; N94-Q96 PolarHBondContact O-N 3.06Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 2.85Å; Q96-R99 WeakPolarHBondContact O-CB 3.44Å; Q96-R99 PolarHBondContact O-N 2.63Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.29Å; Q96-E100 PolarHBondContact O-N 3.46Å
97T96.8Very high97.4Very high60 Ų6053.4 Ų53.437%0.36825%0.252SS..Hα-helixtrans-57-43.6177.3-540000111.8T93 N94 E100 N101T93-T97 PolarHBondContact O-N 3.24Å; T93-T97 PolarHBondContact O-OG1 2.74Å; N94-T97 PolarHBondContact O-N 2.8Å; T97-E100 PolarHBondContact O-N 3.11Å; T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 2.63Å; T97-N101 PolarHBondContact O-OD1 2.84Å
98Y95.8Very high97.3Very high6 Ų654.6 Ų54.62%0.02426%0.256CS..Hα-helixtrans-73.7-31.3-178.4-79-121.3000112.5H33 A35 F46 N94 Q96 E100 N101 L102 W119 R121H33-Y98 HydrophobicContact CB-CE1 3.74Å; H33-Y98 WeakPolarHBondContact CB-OH 3.48Å; H33-Y98 AromaticContact ND1-CE2 3.89Å; H33-Y98 AromaticContact ND1-CZ 3.48Å; H33-Y98 PolarHBondContact ND1-OH 3.38Å; A35-Y98 HydrophobicContact CB-CD1 3.86Å; A35-Y98 HydrophobicContact CB-CG 4.24Å; F46-Y98 HydrophobicContact CD2-CD1 4.27Å; F46-Y98 HydrophobicContact CD2-CG 4.13Å; F46-Y98 AromaticContact CE2-CD1 3.96Å; F46-Y98 HydrophobicContact CE2-CD1 3.96Å; F46-Y98 HydrophobicContact CE2-CD2 4.05Å; F46-Y98 HydrophobicContact CE2-CE1 4.18Å; F46-Y98 HydrophobicContact CE2-CE2 4.26Å; F46-Y98 AromaticContact CE2-CG 3.89Å; F46-Y98 HydrophobicContact CE2-CG 3.89Å; N94-Y98 HydrophobicContact CB-CD2 4.31Å; N94-Y98 HydrophobicContact CB-CE2 4.29Å; N94-Y98 WeakPolarHBondContact O-CB 3.39Å; N94-Y98 WeakPolarHBondContact O-CD2 3.25Å; N94-Y98 PolarHBondContact O-N 3.19Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 2.85Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-N101 PolarHBondContact O-N 3.46Å; Y98-L102 WeakPolarHBondContact O-CG 3.42Å; Y98-L102 PolarHBondContact O-N 2.71Å; Y98-W119 AromaticContact CD1-CD1 3.41Å; Y98-W119 VanDerWaalsContact CD1-CD1 3.41Å; Y98-W119 HydrophobicContact CD1-CG 4.3Å; Y98-W119 AromaticContact CE1-CD1 3.51Å; Y98-W119 AromaticContact CE1-NE1 3.99Å; Y98-R121 HydrophobicContact CE1-CB 4.28Å; Y98-R121 WeakPolarHBondContact OH-CB 3.33Å; Y98-R121 WeakPolarHBondContact OH-CD 3.36Å
99R96.4Very high97.3Very high47 Ų4757.3 Ų57.318%0.17727%0.265CS..Hα-helixtrans-61.4-40.6169.4175-166.4-59.1-160.5-11.1111.3E43 P44 T95 Q96 R103E43-R99 IonicContact OE1-CZ 3.84Å; E43-R99 VanDerWaalsContact OE1-CZ 3.31Å; E43-R99 IonicContact OE1-NE 2.86Å; E43-R99 IonicContact OE1-NH1 2.82Å; E43-R99 PolarHBondContact OE1-NH1 2.17Å; E43-R99 IonicContact OE1-NH2 3.22Å; E43-R99 WeakPolarHBondContact OE2-CD 3.49Å; E43-R99 IonicContact OE2-CZ 2.78Å; E43-R99 IonicContact OE2-NE 3.07Å; E43-R99 PolarHBondContact OE2-NE 3.31Å; E43-R99 IonicContact OE2-NH1 2.82Å; E43-R99 IonicContact OE2-NH2 2.75Å; P44-R99 HydrophobicContact CG-CB 4.45Å; P44-R99 HydrophobicContact CG-CG 4.17Å; T95-R99 WeakPolarHBondContact O-CB 3.26Å; T95-R99 PolarHBondContact O-N 3.3Å; Q96-R99 WeakPolarHBondContact O-CB 3.44Å; Q96-R99 PolarHBondContact O-N 2.63Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.29Å; R99-R103 WeakPolarHBondContact O-CG 3.47Å; R99-R103 PolarHBondContact O-N 2.96Å
100E96.8Very high97.2Very high117 Ų11759 Ų5955%0.54728%0.279SS..Hα-helixtrans-69.9-43.4174.1-171.7171.7-175.400111.9Q96 T97 Y98 L102 R103 I104Q96-E100 PolarHBondContact O-N 3.46Å; T97-E100 PolarHBondContact O-N 3.11Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.38Å; E100-R103 CarbonylContact O-C 3.56Å; E100-R103 WeakPolarHBondContact O-CA 3.34Å; E100-R103 WeakPolarHBondContact O-CB 3.39Å; E100-R103 PolarHBondContact O-N 2.66Å; E100-I104 HydrophobicContact CG-CD1 3.93Å; E100-I104 HydrophobicContact CG-CG1 4.36Å; E100-I104 WeakPolarHBondContact O-CG1 3.47Å; E100-I104 PolarHBondContact O-N 3.04Å
101N96.8Very high97.1Very high39 Ų3959.3 Ų59.321%0.20928%0.276CS..Hα-helixtrans-56.3-42.9176.2-69.3-15.3000112.2T97 Y98 R103 I104 A105 W119T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 2.63Å; T97-N101 PolarHBondContact O-OD1 2.84Å; Y98-N101 PolarHBondContact O-N 3.46Å; N101-R103 VanDerWaalsContact C-N 3.33Å; N101-R103 PolarHBondContact O-N 3.43Å; N101-I104 PolarHBondContact O-N 2.96Å; N101-I104 VanDerWaalsContact O-N 3.16Å; N101-A105 WeakPolarHBondContact O-CB 3.37Å; N101-A105 PolarHBondContact O-N 3.01Å; N101-W119 HydrophobicContact CB-CD2 4.07Å; N101-W119 HydrophobicContact CB-CE3 4.36Å; N101-W119 HydrophobicContact CB-CZ2 4.23Å
102L97.8Very high97Very high5 Ų563.1 Ų63.13%0.02630%0.303CS..Hα-helixtrans-58.1-41.9173.5-75.3165.5000112.2A35 P44 Y98 E100 A105 L106 H117 W119 Y142A35-L102 HydrophobicContact CB-CD1 3.99Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.9Å; Y98-L102 WeakPolarHBondContact O-CG 3.42Å; Y98-L102 PolarHBondContact O-N 2.71Å; E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.38Å; L102-A105 PolarHBondContact O-N 2.94Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 2.83Å; L102-L106 VanDerWaalsContact O-N 3.15Å; L102-H117 HydrophobicContact CD2-CB 4.17Å; L102-W119 HydrophobicContact CD2-CB 3.75Å; L102-W119 HydrophobicContact CG-CB 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 4.12Å
103R96.4Very high96.7Very high126 Ų12667 Ų6748%0.47532%0.322SS..Hα-helixtrans-70.2-29.8176.4-64.8172.6-174.71722.4112.8E43 R99 E100 N101 R107E43-R103 IonicContact OE1-NH2 2.7Å; E43-R103 IonicContact OE2-NH2 3.54Å; E43-R103 PolarHBondContact OE2-NH2 3.32Å; R99-R103 WeakPolarHBondContact O-CG 3.47Å; R99-R103 PolarHBondContact O-N 2.96Å; E100-R103 CarbonylContact O-C 3.56Å; E100-R103 WeakPolarHBondContact O-CA 3.34Å; E100-R103 WeakPolarHBondContact O-CB 3.39Å; E100-R103 PolarHBondContact O-N 2.66Å; N101-R103 VanDerWaalsContact C-N 3.33Å; N101-R103 PolarHBondContact O-N 3.43Å; R103-R107 PolarHBondContact O-NH1 3.48Å
104I96.8Very high96.4Very high33 Ų3367.7 Ų67.717%0.16934%0.335CS..Hα-helixtrans-72.1-46.2173.6-69166.3000110.2E100 N101 L106 R107 Y108E100-I104 HydrophobicContact CG-CD1 3.93Å; E100-I104 HydrophobicContact CG-CG1 4.36Å; E100-I104 WeakPolarHBondContact O-CG1 3.47Å; E100-I104 PolarHBondContact O-N 3.04Å; N101-I104 PolarHBondContact O-N 2.96Å; N101-I104 VanDerWaalsContact O-N 3.16Å; I104-L106 PolarHBondContact O-N 3.34Å; I104-R107 WeakPolarHBondContact O-CB 3.44Å; I104-R107 PolarHBondContact O-N 2.94Å; I104-R107 VanDerWaalsContact O-N 3.07Å; I104-Y108 HydrophobicContact CG2-CD1 4.15Å; I104-Y108 HydrophobicContact CG2-CD2 4.04Å; I104-Y108 HydrophobicContact CG2-CE1 3.7Å; I104-Y108 HydrophobicContact CG2-CE2 3.58Å; I104-Y108 HydrophobicContact CG2-CG 4.3Å; I104-Y108 PolarHBondContact O-N 3.39Å
105A97.1Very high96.2Very high1 Ų167.5 Ų67.51%0.00834%0.339CS..Hα-helixtrans-58.7-46.9-179.500000111.8N101 L102 R107 Y108 Y109 W119 Y142N101-A105 WeakPolarHBondContact O-CB 3.37Å; N101-A105 PolarHBondContact O-N 3.01Å; L102-A105 PolarHBondContact O-N 2.94Å; A105-R107 PolarHBondContact O-N 3.44Å; A105-R107 VanDerWaalsContact O-N 3.16Å; A105-Y108 PolarHBondContact O-N 3.31Å; A105-Y109 HydrophobicContact CB-CD2 4.48Å; A105-Y109 WeakPolarHBondContact O-CD2 3.44Å; A105-Y109 PolarHBondContact O-N 2.99Å; A105-W119 HydrophobicContact CB-CE3 4.11Å; A105-W119 HydrophobicContact CB-CZ3 3.84Å; A105-Y142 HydrophobicContact CB-CD1 4.31Å; A105-Y142 HydrophobicContact CB-CD2 4.09Å; A105-Y142 HydrophobicContact CB-CE1 3.85Å; A105-Y142 HydrophobicContact CB-CE2 3.63Å; A105-Y142 HydrophobicContact CB-CG 4.4Å; A105-Y142 VanDerWaalsContact CB-CZ 3.48Å
106L97Very high96.2Very high29 Ų2971.2 Ų71.215%0.15237%0.365CS..Hα-helixtrans-48.5-43.5172.9-78.2174.3000112.6L102 I104 N110 Q111 H117L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 2.83Å; L102-L106 VanDerWaalsContact O-N 3.15Å; I104-L106 PolarHBondContact O-N 3.34Å; L106-N110 WeakPolarHBondContact O-CA 3.45Å; L106-N110 PolarHBondContact O-N 3.47Å; L106-N110 VanDerWaalsContact O-N 3.08Å; L106-Q111 HydrophobicContact CD2-CB 3.62Å; L106-Q111 PolarHBondContact O-N 2.95Å; L106-H117 VanDerWaalsContact CD2-CD2 3.43Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.32Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.31Å
107R97.3Very high96.2Very high159 Ų15967.2 Ų67.260%0.635%0.347SS*.Hα-helixtrans-72.9-40.9178.6-66.4-170.6-63.6-98.36.2112.7R103 I104 A105 Y109 N110R103-R107 PolarHBondContact O-NH1 3.48Å; I104-R107 WeakPolarHBondContact O-CB 3.44Å; I104-R107 PolarHBondContact O-N 2.94Å; I104-R107 VanDerWaalsContact O-N 3.07Å; A105-R107 PolarHBondContact O-N 3.44Å; A105-R107 VanDerWaalsContact O-N 3.16Å; R107-Y109 VanDerWaalsContact C-N 3.32Å; R107-Y109 PolarHBondContact O-N 3.45Å; R107-N110 PolarHBondContact O-N 3.38Å
108Y97.5Very high96.3Very high47 Ų4766.1 Ų66.118%0.18434%0.34CS..Hα-helixtrans-66.2-35.4179.4-69.2-4.2000112.3I104 A105 Y147 A163 I166 K170I104-Y108 HydrophobicContact CG2-CD1 4.15Å; I104-Y108 HydrophobicContact CG2-CD2 4.04Å; I104-Y108 HydrophobicContact CG2-CE1 3.7Å; I104-Y108 HydrophobicContact CG2-CE2 3.58Å; I104-Y108 HydrophobicContact CG2-CG 4.3Å; I104-Y108 PolarHBondContact O-N 3.39Å; A105-Y108 PolarHBondContact O-N 3.31Å; Y108-Y147 WeakPolarHBondContact CD2-OH 3.48Å; Y108-A163 HydrophobicContact CD2-CB 4.4Å; Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CD2-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CD1 4.31Å; Y108-I166 HydrophobicContact CE1-CG2 4.04Å; Y108-I166 HydrophobicContact CE2-CB 3.99Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.24Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.19Å; Y108-K170 PolarHBondContact OH-NZ 3.5Å
109Y97.5Very high96.4Very high66 Ų6666.2 Ų66.226%0.25934%0.34SS..THydrogen-bonded Turntrans-942179.1-69.4-70.5000114.4A105 R107 Q111 Y142 Y147 D161 A163A105-Y109 HydrophobicContact CB-CD2 4.48Å; A105-Y109 WeakPolarHBondContact O-CD2 3.44Å; A105-Y109 PolarHBondContact O-N 2.99Å; R107-Y109 VanDerWaalsContact C-N 3.32Å; R107-Y109 PolarHBondContact O-N 3.45Å; Y109-Q111 PolarHBondContact O-N 3.35Å; Y109-Y142 AromaticContact CD2-CD1 3.64Å; Y109-Y142 HydrophobicContact CD2-CD1 3.64Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.42Å; Y109-Y142 HydrophobicContact CE2-CD1 3.42Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.42Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.39Å; Y109-Y142 HydrophobicContact CG-CE1 4.31Å; Y109-Y147 HydrophobicContact CE2-CD2 4.23Å; Y109-Y147 AromaticContact CE2-CE2 3.92Å; Y109-Y147 HydrophobicContact CE2-CE2 3.92Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.26Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.36Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.17Å; Y109-D161 VanDerWaalsContact OH-CG 3.3Å; Y109-D161 PolarHBondContact OH-OD1 2.89Å; Y109-D161 PolarHBondContact OH-OD2 3.48Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å
110N96.6Very high96.5Very high151 Ų15167.4 Ų67.481%0.80735%0.348SS*.THydrogen-bonded Turntrans53.238.5-176.5-55-72.4000113.7L106 R107L106-N110 WeakPolarHBondContact O-CA 3.45Å; L106-N110 PolarHBondContact O-N 3.47Å; L106-N110 VanDerWaalsContact O-N 3.08Å; R107-N110 PolarHBondContact O-N 3.38Å
111Q96.7Very high96.6Very high64 Ų6464 Ų6430%0.29933%0.33SS..  trans-89.4154.3-178.3-70.7165.7-39.600112L106 Y109 H117 Y142 D143L106-Q111 HydrophobicContact CD2-CB 3.62Å; L106-Q111 PolarHBondContact O-N 2.95Å; Y109-Q111 PolarHBondContact O-N 3.35Å; Q111-H117 VanDerWaalsContact CD-CE1 3.41Å; Q111-H117 PolarHBondContact NE2-CE1 2.94Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.32Å; Q111-Y142 PolarHBondContact OE1-OH 3.28Å; Q111-D143 PolarHBondContact NE2-OD2 3.45Å
112S94.5Very high96.7Very high80 Ų8063.1 Ų63.156%0.55933%0.325SS*.  trans-81.5145.1178.967.50000112.7A114 G115S112-A114 PolarHBondContact O-N 3.35Å; S112-G115 PolarHBondContact O-N 2.91Å
113E92.4Very high96.7Very high169 Ų16964 Ų6479%0.7933%0.328SS*.THydrogen-bonded Turntrans-64-11.6176.5-58.1-169.8158.600114.9P39 G115P39-E113 WeakPolarHBondContact CB-O 3.34Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.43Å
114A92.7Very high96.8Very high85 Ų8558 Ų5870%0.70231%0.305SS*.THydrogen-bonded Turntrans-74.7-14.3173.700000113.6S112S112-A114 PolarHBondContact O-N 3.35Å
115G92.7Very high96.9Very high21 Ų2156.4 Ų56.422%0.21630%0.297CS..SBendtrans-76.9137.4-179.100000113.5S37 P39 S112 E113 H117S37-G115 PolarHBondContact OG-O 2.9Å; P39-G115 WeakPolarHBondContact CG-O 3.49Å; S112-G115 PolarHBondContact O-N 2.91Å; E113-G115 VanDerWaalsContact C-N 3.27Å; E113-G115 PolarHBondContact O-N 3.43Å; G115-H117 VanDerWaalsContact C-CD2 3.47Å; G115-H117 PolarHBondContact O-CD2 3Å
116S96.5Very high97Very high90 Ų9057.7 Ų57.763%0.62930%0.304SS*.  trans-83.1122.2165.5-164.70000108.3S37S37-S116 PolarHBondContact O-OG 3.41Å
117H98.1Very high97Very high16 Ų1656.5 Ų56.57%0.07430%0.298CS..  trans-128.2149.7-173.9-66.5-75.9000111.3M36 S37 L102 L106 Q111 G115 Y142 D143M36-H117 WeakPolarHBondContact CA-O 3.24Å; S37-H117 PolarHBondContact N-O 3.41Å; S37-H117 PolarHBondContact OG-N 3.02Å; L102-H117 HydrophobicContact CD2-CB 4.17Å; L106-H117 VanDerWaalsContact CD2-CD2 3.43Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.32Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.31Å; Q111-H117 VanDerWaalsContact CD-CE1 3.41Å; Q111-H117 PolarHBondContact NE2-CE1 2.94Å; Q111-H117 VanDerWaalsContact NE2-CE1 3.32Å; G115-H117 VanDerWaalsContact C-CD2 3.47Å; G115-H117 PolarHBondContact O-CD2 3Å; H117-Y142 HydrophobicContact CB-CE2 3.9Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.81Å; H117-D143 WeakPolarHBondContact CA-OD1 3.21Å; H117-D143 WeakPolarHBondContact CB-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.98Å; H117-D143 IonicContact CG-OD1 3.31Å; H117-D143 IonicContact CG-OD2 3.54Å; H117-D143 IonicContact ND1-OD1 3.44Å; H117-D143 PolarHBondContact ND1-OD1 2.82Å; H117-D143 IonicContact ND1-OD2 3.79Å; H117-D143 PolarHBondContact ND1-OD2 2.78Å
118T98.5Very high96.8Very high37 Ų3749.1 Ų49.123%0.22727%0.271CS..EExtended strand (participates in β ladder)trans-123.7128.7-174.7-56.50000110.8T34 A35 M36 Q120 Y142 D143T34-T118 HydrophobicContact CG2-CG2 4.02Å; A35-T118 CarbonylContact O-C 3.58Å; A35-T118 WeakPolarHBondContact O-CA 3.47Å; M36-T118 HydrophobicContact CG-CG2 4.21Å; T118-Q120 HydrophobicContact CG2-CG 4Å; T118-Y142 CarbonylContact O-C 3.54Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.27Å; T118-Y142 WeakPolarHBondContact O-CD2 3.4Å; T118-D143 PolarHBondContact N-OD1 2.82Å; T118-D143 PolarHBondContact O-N 2.75Å
119W98.4Very high96.4Very high9 Ų951.4 Ų51.43%0.03429%0.291CS..EExtended strand (participates in β ladder)trans-117.7122.7174.7-172.7-74.7000109.8A35 Y98 N101 L102 A105 L140 Y142 Y147A35-W119 HydrophobicContact CB-CB 4.45Å; A35-W119 PolarHBondContact N-O 2.89Å; A35-W119 PolarHBondContact O-N 2.8Å; Y98-W119 AromaticContact CD1-CD1 3.41Å; Y98-W119 VanDerWaalsContact CD1-CD1 3.41Å; Y98-W119 HydrophobicContact CD1-CG 4.3Å; Y98-W119 AromaticContact CE1-CD1 3.51Å; Y98-W119 AromaticContact CE1-NE1 3.99Å; N101-W119 HydrophobicContact CB-CD2 4.07Å; N101-W119 HydrophobicContact CB-CE3 4.36Å; N101-W119 HydrophobicContact CB-CZ2 4.23Å; L102-W119 HydrophobicContact CD2-CB 3.75Å; L102-W119 HydrophobicContact CG-CB 4.08Å; A105-W119 HydrophobicContact CB-CE3 4.11Å; A105-W119 HydrophobicContact CB-CZ3 3.84Å; W119-L140 HydrophobicContact CZ2-CD2 3.69Å; W119-Y142 AromaticContact CE3-CD2 3.6Å; W119-Y142 HydrophobicContact CE3-CD2 3.6Å; W119-Y142 HydrophobicContact CE3-CE2 4.26Å; W119-Y142 HydrophobicContact CE3-CG 4.18Å; W119-Y142 HydrophobicContact CZ3-CD2 4.2Å; W119-Y142 HydrophobicContact CZ3-CG 4.38Å; W119-Y147 AromaticContact CH2-CD1 3.69Å; W119-Y147 HydrophobicContact CH2-CD1 3.69Å; W119-Y147 AromaticContact CH2-CE1 3.57Å; W119-Y147 HydrophobicContact CH2-CE1 3.57Å; W119-Y147 HydrophobicContact CH2-CE2 4.43Å; W119-Y147 HydrophobicContact CH2-CG 4.2Å; W119-Y147 AromaticContact CH2-CZ 3.95Å; W119-Y147 HydrophobicContact CZ2-CD1 4.24Å; W119-Y147 HydrophobicContact CZ2-CE1 4.33Å; W119-Y147 HydrophobicContact CZ3-CD1 4.46Å; W119-Y147 HydrophobicContact CZ3-CE1 4.41Å
120Q98.7Very high96Very high72 Ų7252.5 Ų52.534%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-120.7151.9-175.8-73.9164.7-83.700111.5H33 T34 T118 L140 A141H33-Q120 CarbonylContact O-C 3.54Å; H33-Q120 VanDerWaalsContact O-CA 3.25Å; H33-Q120 WeakPolarHBondContact O-CA 3.47Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å; T118-Q120 HydrophobicContact CG2-CG 4Å; Q120-L140 VanDerWaalsContact O-CA 3.28Å; Q120-L140 WeakPolarHBondContact O-CA 3.37Å; Q120-A141 HydrophobicContact CB-CB 4.26Å; Q120-A141 PolarHBondContact N-O 3.33Å; Q120-A141 PolarHBondContact O-N 3.25Å
121R98.6Very high95.6Very high45 Ų4546.3 Ų46.317%0.1727%0.273CS..EExtended strand (participates in β ladder)trans-142.2136.7168.5-178-173.7-178.9-161.3-1.4109.7F32 H33 Y98 Y123 N138 Q139 L140F32-R121 WeakPolarHBondContact CA-O 3.44Å; H33-R121 HydrophobicContact CB-CB 4.23Å; H33-R121 PolarHBondContact N-O 2.89Å; H33-R121 PolarHBondContact O-N 2.86Å; Y98-R121 HydrophobicContact CE1-CB 4.28Å; Y98-R121 WeakPolarHBondContact OH-CB 3.33Å; Y98-R121 WeakPolarHBondContact OH-CD 3.36Å; R121-Y123 HydrophobicContact CG-CD1 4.13Å; R121-N138 PolarHBondContact NE-OD1 3.23Å; R121-N138 PolarHBondContact NH2-OD1 2.91Å; R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.28Å; R121-Q139 WeakPolarHBondContact CA-O 3.42Å; R121-L140 HydrophobicContact CB-CG 4.13Å; R121-L140 HydrophobicContact CG-CD1 4.19Å; R121-L140 HydrophobicContact CG-CG 3.98Å
122M98.7Very high95.4Very high21 Ų2151.2 Ų51.210%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-115.9130161.5-171.7-76.1-70.200108Y31 F32 Y137 Q139Y31-M122 WeakPolarHBondContact O-CA 3.46Å; F32-M122 HydrophobicContact CD1-CB 4.03Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.11Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.48Å; F32-M122 HydrophobicContact CZ-CG 3.93Å; M122-Y137 HydrophobicContact CE-CD1 3.83Å; M122-Y137 HydrophobicContact CE-CG 3.95Å; M122-Q139 HydrophobicContact CB-CG 4.02Å; M122-Q139 HydrophobicContact CE-CG 4.08Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 2.31Å; M122-Q139 PolarHBondContact O-N 3.16Å
123Y98.6Very high95.6Very high23 Ų2349.9 Ų49.99%0.0928%0.275CS..EExtended strand (participates in β ladder)trans-144.9156.1171.172.6-78.4000110.3Y31 H33 R121 Y137 Y183Y31-Y123 VanDerWaalsContact CB-CE1 3.43Å; Y31-Y123 AromaticContact CD2-CE2 3.94Å; Y31-Y123 HydrophobicContact CD2-CE2 3.94Å; Y31-Y123 AromaticContact CD2-CZ 3.89Å; Y31-Y123 HydrophobicContact CG-CE1 4.27Å; Y31-Y123 HydrophobicContact CG-CE2 4.37Å; Y31-Y123 AromaticContact CG-CZ 3.86Å; Y31-Y123 PolarHBondContact N-O 3Å; Y31-Y123 PolarHBondContact O-N 2.94Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; H33-Y123 AromaticContact CE1-CE1 3.6Å; H33-Y123 AromaticContact NE2-CE1 3.55Å; R121-Y123 HydrophobicContact CG-CD1 4.13Å; Y123-Y137 WeakPolarHBondContact CA-O 3.35Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.24Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.77Å; Y123-Y183 HydrophobicContact CE2-CE1 3.77Å
124G98.5Very high95.7Very high0 Ų047.5 Ų47.50%027%0.267CS..EExtended strand (participates in β ladder)trans161.8179.9-172.800000113.5M29 Y137 L184M29-G124 CarbonylContact O-C 3.41Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; G124-Y137 PolarHBondContact N-O 2.75Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 2.88Å; G124-L184 WeakPolarHBondContact O-CD2 3.41Å
125C98.6Very high95.9Very high0 Ų047.7 Ų47.70%025%0.25CS..EExtended strand (participates in β ladder)trans-134147.2-178.251.20000110.7S28 M29 L133 R135 C188S28-C125 WeakPolarHBondContact CA-O 3.49Å; M29-C125 PolarHBondContact N-O 3.34Å; M29-C125 PolarHBondContact O-N 3.07Å; M29-C125 VanDerWaalsContact O-N 3.08Å; C125-L133 HydrophobicContact CB-CD1 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.47Å; C125-C188 HydrophobicContact CB-CB 3.88Å; C125-C188 WeakPolarHBondContact CB-SG 3.43Å; C125-C188 PolarHBondContact N-SG 3.48Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 3.42Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.32Å
126D98.1Very high96.2Very high28 Ų2847 Ų4715%0.1524%0.242CC..EExtended strand (participates in β ladder)trans-115134.9174-63.13.8000109.1H27 S28 R30 L134 R135 Y137H27-D126 CarbonylContact O-C 3.6Å; H27-D126 WeakPolarHBondContact O-CA 3.23Å; S28-D126 WeakPolarHBondContact CB-OD1 3.36Å; R30-D126 IonicContact CZ-OD1 2.66Å; R30-D126 VanDerWaalsContact CZ-OD1 3.22Å; R30-D126 IonicContact CZ-OD2 3.93Å; R30-D126 IonicContact NE-OD1 2.86Å; R30-D126 PolarHBondContact NE-OD1 3.29Å; R30-D126 IonicContact NH2-OD1 3.92Å; R30-D126 PolarHBondContact NH2-OD1 3.26Å; R30-D126 IonicContact NH2-OD2 3.65Å; R30-D126 PolarHBondContact NH2-OD2 3.34Å; D126-L134 PolarHBondContact O-N 2.95Å; D126-R135 PolarHBondContact N-O 2.95Å; D126-R135 PolarHBondContact O-N 2.75Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.44Å; D126-Y137 PolarHBondContact OD2-OH 2.92Å
127L97.1Very high96.3Very high4 Ų444.7 Ų44.72%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-109.9143.9177.2-52.2-177.4000110.7S26 H27 R132 V189 L192 R193S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.35Å; H27-L127 PolarHBondContact N-O 3.38Å; H27-L127 PolarHBondContact O-N 2.83Å; L127-R132 CarbonylContact C-O 3.56Å; L127-R132 WeakPolarHBondContact CA-O 3.4Å; L127-V189 HydrophobicContact CD1-CG1 4.34Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.88Å; L127-L192 HydrophobicContact CD1-CB 4.25Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.24Å; L127-R193 HydrophobicContact CD1-CG 3.94Å
128G93.6Very high96.3Very high3 Ų344.1 Ų44.13%0.03122%0.218CC..  trans-81.9177.4170.400000112.3D130 G131 R132 L134G128-D130 PolarHBondContact O-N 3.41Å; G128-D130 VanDerWaalsContact O-N 3.12Å; G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 2.73Å; G128-R132 PolarHBondContact N-O 3.07Å; G128-L134 VanDerWaalsContact CA-CD1 3.43Å
129P89.3Confident96.3Very high95 Ų9546 Ų4662%0.61722%0.224SC*.THydrogen-bonded Turntrans-60-20.2176.4-25.435.5000114.8G25 G131G25-P129 WeakPolarHBondContact O-CA 3.2Å; P129-G131 PolarHBondContact O-N 2.97Å
130D88.6Confident96.3Very high90 Ų9045.9 Ų45.948%0.48122%0.224SC..THydrogen-bonded Turntrans-83.53.7171.676.9-17.6000113.5G128 R132G128-D130 PolarHBondContact O-N 3.41Å; G128-D130 VanDerWaalsContact O-N 3.12Å; D130-R132 PolarHBondContact O-N 2.82Å; D130-R132 VanDerWaalsContact OD1-CB 3.32Å; D130-R132 WeakPolarHBondContact OD1-CB 3.37Å; D130-R132 PolarHBondContact OD1-N 2.74Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-CZ 2.67Å; D130-R132 IonicContact OD2-NE 3.44Å; D130-R132 IonicContact OD2-NH1 3.52Å; D130-R132 PolarHBondContact OD2-NH1 2.78Å
131G88.5Confident96.3Very high20 Ų2043.2 Ų43.221%0.20621%0.214CC..SBendtrans70.19.6-178.300000114.6G128 P129 R193G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 2.73Å; P129-G131 PolarHBondContact O-N 2.97Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.92Å; G131-R193 PolarHBondContact O-NH2 3.48Å
132R93.8Very high96.3Very high168 Ų16841.6 Ų41.663%0.63421%0.208SC*.  trans-89.7155177.7-61.2-172.1-176.9130-10.9111.8L127 G128 D130 L134L127-R132 CarbonylContact C-O 3.56Å; L127-R132 WeakPolarHBondContact CA-O 3.4Å; G128-R132 PolarHBondContact N-O 3.07Å; D130-R132 PolarHBondContact O-N 2.82Å; D130-R132 VanDerWaalsContact OD1-CB 3.32Å; D130-R132 WeakPolarHBondContact OD1-CB 3.37Å; D130-R132 PolarHBondContact OD1-N 2.74Å; D130-R132 WeakPolarHBondContact OD2-CD 3.34Å; D130-R132 VanDerWaalsContact OD2-CG 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-CZ 2.67Å; D130-R132 IonicContact OD2-NE 3.44Å; D130-R132 IonicContact OD2-NH1 3.52Å; D130-R132 PolarHBondContact OD2-NH1 2.78Å; R132-L134 PolarHBondContact O-N 3.49Å
133L96.8Very high96.3Very high51 Ų5143.6 Ų43.627%0.26722%0.219SC..EExtended strand (participates in β ladder)trans-58.6119174.5-174.674.2000110.2C125 R135 L154 E185 V189C125-L133 HydrophobicContact CB-CD1 3.54Å; L133-R135 WeakPolarHBondContact CD1-O 3.27Å; L133-L154 HydrophobicContact CD2-CD1 4.11Å; L133-E185 HydrophobicContact CD2-CB 4.45Å; L133-E185 HydrophobicContact CD2-CG 3.73Å; L133-V189 HydrophobicContact CB-CG2 4.1Å; L133-V189 HydrophobicContact CD1-CG2 4.19Å
134L96.3Very high96.2Very high119 Ų11945.4 Ų45.462%0.62325%0.245SC*.EExtended strand (participates in β ladder)trans-87.7-43.1165.5-69.4177.1000110.8D126 G128 R132D126-L134 PolarHBondContact O-N 2.95Å; G128-L134 VanDerWaalsContact CA-CD1 3.43Å; R132-L134 PolarHBondContact O-N 3.49Å
135R96.8Very high96.2Very high90 Ų9053.1 Ų53.134%0.3428%0.278SS..EExtended strand (participates in β ladder)trans-155.8138.1-174.2-170.8161.8169.7142.99.2112.4C125 D126 L133 Y137 E152C125-R135 WeakPolarHBondContact CA-O 3.47Å; D126-R135 PolarHBondContact N-O 2.95Å; D126-R135 PolarHBondContact O-N 2.75Å; L133-R135 WeakPolarHBondContact CD1-O 3.27Å; R135-Y137 HydrophobicContact CB-CE2 3.97Å; R135-Y137 VanDerWaalsContact CD-CZ 3.48Å; R135-Y137 VanDerWaalsContact CD-OH 3.25Å; R135-Y137 WeakPolarHBondContact CD-OH 3.42Å; R135-Y137 HydrophobicContact CG-CD2 4.24Å; R135-Y137 HydrophobicContact CG-CE1 4.32Å; R135-Y137 HydrophobicContact CG-CE2 3.63Å; R135-Y137 PolarHBondContact NE-OH 2.73Å; R135-E152 IonicContact CZ-OE1 3.61Å; R135-E152 IonicContact NH1-OE1 3.84Å; R135-E152 PolarHBondContact NH1-OE1 2.75Å; R135-E152 IonicContact NH1-OE2 2.81Å; R135-E152 PolarHBondContact NH1-OE2 3.12Å; R135-E152 VanDerWaalsContact NH2-CD 3.31Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 2.75Å; R135-E152 PolarHBondContact NH2-OE1 3.35Å
136G98Very high96.2Very high5 Ų558.8 Ų58.85%0.05231%0.309CS..EExtended strand (participates in β ladder)trans-104.3150.5167.300000111.2
137Y98.2Very high96.2Very high43 Ų4357.5 Ų57.517%0.16930%0.302CS..EExtended strand (participates in β ladder)trans-130.6139.3-179.6-63.1-96.4000110.8R30 M122 Y123 G124 D126 R135R30-Y137 VanDerWaalsContact NH2-CE2 3.32Å; M122-Y137 HydrophobicContact CE-CD1 3.83Å; M122-Y137 HydrophobicContact CE-CG 3.95Å; Y123-Y137 WeakPolarHBondContact CA-O 3.35Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.24Å; G124-Y137 PolarHBondContact N-O 2.75Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 2.88Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.44Å; D126-Y137 PolarHBondContact OD2-OH 2.92Å; R135-Y137 HydrophobicContact CB-CE2 3.97Å; R135-Y137 VanDerWaalsContact CD-CZ 3.48Å; R135-Y137 VanDerWaalsContact CD-OH 3.25Å; R135-Y137 WeakPolarHBondContact CD-OH 3.42Å; R135-Y137 HydrophobicContact CG-CD2 4.24Å; R135-Y137 HydrophobicContact CG-CE1 4.32Å; R135-Y137 HydrophobicContact CG-CE2 3.63Å; R135-Y137 PolarHBondContact NE-OH 2.73Å
138N98.5Very high96.3Very high4 Ų457.5 Ų57.52%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-155.396.5164177.964.8000109.7R121 L150 W157 L180R121-N138 PolarHBondContact NE-OD1 3.23Å; R121-N138 PolarHBondContact NH2-OD1 2.91Å; N138-L150 HydrophobicContact CB-CB 3.89Å; N138-L150 HydrophobicContact CB-CD2 4.11Å; N138-L150 PolarHBondContact O-N 2.97Å; N138-W157 WeakPolarHBondContact ND2-CH2 3.46Å; N138-W157 WeakPolarHBondContact ND2-CZ3 3.27Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.38Å
139Q98.4Very high96.6Very high75 Ų7558.9 Ų58.935%0.3531%0.313SS..EExtended strand (participates in β ladder)trans-125140.5-178.466-165.467.400111.1R121 M122 A149R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.28Å; R121-Q139 WeakPolarHBondContact CA-O 3.42Å; M122-Q139 HydrophobicContact CB-CG 4.02Å; M122-Q139 HydrophobicContact CE-CG 4.08Å; M122-Q139 VanDerWaalsContact CE-OE1 3.31Å; M122-Q139 PolarHBondContact N-O 2.31Å; M122-Q139 PolarHBondContact O-N 3.16Å; Q139-A149 HydrophobicContact CB-CB 4Å
140L98.6Very high97Very high7 Ų755 Ų554%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-124.2144-178.1-66.881.1000109.7W119 Q120 R121 Y147 I148 W171W119-L140 HydrophobicContact CZ2-CD2 3.69Å; Q120-L140 VanDerWaalsContact O-CA 3.28Å; Q120-L140 WeakPolarHBondContact O-CA 3.37Å; R121-L140 HydrophobicContact CB-CG 4.13Å; R121-L140 HydrophobicContact CG-CD1 4.19Å; R121-L140 HydrophobicContact CG-CG 3.98Å; L140-Y147 WeakPolarHBondContact O-CB 3.36Å; L140-Y147 PolarHBondContact O-N 3.44Å; L140-I148 HydrophobicContact CB-CG2 4.23Å; L140-I148 HydrophobicContact CD1-CG2 4.15Å; L140-I148 PolarHBondContact N-O 2.96Å; L140-I148 PolarHBondContact O-N 3.44Å; L140-W171 HydrophobicContact CD1-CH2 3.83Å; L140-W171 HydrophobicContact CD1-CZ3 4.15Å; L140-W171 HydrophobicContact CD2-CH2 3.79Å; L140-W171 HydrophobicContact CD2-CZ2 4.5Å
141A98.8Very high97.5Very high17 Ų1752.7 Ų52.714%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-132.4148.2179.900000110.9Q120 K145Q120-A141 HydrophobicContact CB-CB 4.26Å; Q120-A141 PolarHBondContact N-O 3.33Å; Q120-A141 PolarHBondContact O-N 3.25Å; A141-K145 CarbonylContact C-O 3.5Å; A141-K145 WeakPolarHBondContact CA-O 3.41Å; A141-K145 WeakPolarHBondContact CB-O 3.29Å
142Y98.6Very high97.9Very high11 Ų1158.2 Ų58.24%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-127.7130.4177-173.8-123000110.1L102 A105 Y109 Q111 H117 T118 W119 G144 K145L102-Y142 HydrophobicContact CD2-CE2 4.12Å; A105-Y142 HydrophobicContact CB-CD1 4.31Å; A105-Y142 HydrophobicContact CB-CD2 4.09Å; A105-Y142 HydrophobicContact CB-CE1 3.85Å; A105-Y142 HydrophobicContact CB-CE2 3.63Å; A105-Y142 HydrophobicContact CB-CG 4.4Å; A105-Y142 VanDerWaalsContact CB-CZ 3.48Å; Y109-Y142 AromaticContact CD2-CD1 3.64Å; Y109-Y142 HydrophobicContact CD2-CD1 3.64Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.42Å; Y109-Y142 HydrophobicContact CE2-CD1 3.42Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.42Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.39Å; Y109-Y142 HydrophobicContact CG-CE1 4.31Å; Q111-Y142 PolarHBondContact OE1-OH 3.28Å; H117-Y142 HydrophobicContact CB-CE2 3.9Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.81Å; T118-Y142 CarbonylContact O-C 3.54Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.27Å; T118-Y142 WeakPolarHBondContact O-CD2 3.4Å; W119-Y142 AromaticContact CE3-CD2 3.6Å; W119-Y142 HydrophobicContact CE3-CD2 3.6Å; W119-Y142 HydrophobicContact CE3-CE2 4.26Å; W119-Y142 HydrophobicContact CE3-CG 4.18Å; W119-Y142 HydrophobicContact CZ3-CD2 4.2Å; W119-Y142 HydrophobicContact CZ3-CG 4.38Å; Y142-G144 PolarHBondContact O-N 2.78Å; Y142-G144 VanDerWaalsContact O-N 3.14Å; Y142-K145 PolarHBondContact N-O 2.81Å; Y142-K145 PolarHBondContact O-N 2.91Å
143D98.1Very high98.1Very high63 Ų6354 Ų5434%0.33729%0.285SS..THydrogen-bonded Turntrans47.440-174.8-64.9-21.6000113.6Q111 H117 T118 K145Q111-D143 PolarHBondContact NE2-OD2 3.45Å; H117-D143 WeakPolarHBondContact CA-OD1 3.21Å; H117-D143 WeakPolarHBondContact CB-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.98Å; H117-D143 IonicContact CG-OD1 3.31Å; H117-D143 IonicContact CG-OD2 3.54Å; H117-D143 IonicContact ND1-OD1 3.44Å; H117-D143 PolarHBondContact ND1-OD1 2.82Å; H117-D143 IonicContact ND1-OD2 3.79Å; H117-D143 PolarHBondContact ND1-OD2 2.78Å; T118-D143 PolarHBondContact N-OD1 2.82Å; T118-D143 PolarHBondContact O-N 2.75Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.98Å
144G97.3Very high98.2Very high61 Ų6152 Ų5263%0.62927%0.274SS*.THydrogen-bonded Turntrans77.17.5179.100000115.5Y142Y142-G144 PolarHBondContact O-N 2.78Å; Y142-G144 VanDerWaalsContact O-N 3.14Å
145K98.4Very high98.2Very high161 Ų16149.7 Ų49.770%0.727%0.268SS*.EExtended strand (participates in β ladder)trans-113.3147.9176.1-60.6-179.6-177178.60110.9A141 Y142 D143 Y147A141-K145 CarbonylContact C-O 3.5Å; A141-K145 WeakPolarHBondContact CA-O 3.41Å; A141-K145 WeakPolarHBondContact CB-O 3.29Å; Y142-K145 PolarHBondContact N-O 2.81Å; Y142-K145 PolarHBondContact O-N 2.91Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.98Å; K145-Y147 PolarHBondContact O-N 3.36Å
146D98.6Very high98.3Very high119 Ų11947.2 Ų47.264%0.63627%0.265SS*.EExtended strand (participates in β ladder)trans-55.8138.8173.9-66.7-37000111.1A160D146-A160 HydrophobicContact CB-CB 4.33Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å
147Y98.7Very high98.3Very high2 Ų247.6 Ų47.61%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-115.1-64.5178.6-178.8-99.1000110Y108 Y109 W119 L140 K145 A160 A163 A164 T167Y108-Y147 WeakPolarHBondContact CD2-OH 3.48Å; Y109-Y147 HydrophobicContact CE2-CD2 4.23Å; Y109-Y147 AromaticContact CE2-CE2 3.92Å; Y109-Y147 HydrophobicContact CE2-CE2 3.92Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.26Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.36Å; W119-Y147 AromaticContact CH2-CD1 3.69Å; W119-Y147 HydrophobicContact CH2-CD1 3.69Å; W119-Y147 AromaticContact CH2-CE1 3.57Å; W119-Y147 HydrophobicContact CH2-CE1 3.57Å; W119-Y147 HydrophobicContact CH2-CE2 4.43Å; W119-Y147 HydrophobicContact CH2-CG 4.2Å; W119-Y147 AromaticContact CH2-CZ 3.95Å; W119-Y147 HydrophobicContact CZ2-CD1 4.24Å; W119-Y147 HydrophobicContact CZ2-CE1 4.33Å; W119-Y147 HydrophobicContact CZ3-CD1 4.46Å; W119-Y147 HydrophobicContact CZ3-CE1 4.41Å; L140-Y147 WeakPolarHBondContact O-CB 3.36Å; L140-Y147 PolarHBondContact O-N 3.44Å; K145-Y147 PolarHBondContact O-N 3.36Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.02Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 3.47Å; Y147-A164 HydrophobicContact CD1-CB 4.31Å; Y147-A164 HydrophobicContact CD2-CB 4.01Å; Y147-A164 HydrophobicContact CE1-CB 4.21Å; Y147-A164 HydrophobicContact CE2-CB 3.92Å; Y147-A164 HydrophobicContact CG-CB 4.21Å; Y147-A164 WeakPolarHBondContact O-CB 3.34Å; Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.03Å
148I98.7Very high98.3Very high3 Ų349.4 Ų49.42%0.01528%0.281CS..EExtended strand (participates in β ladder)trans-148.2140.7176.9-160.5174.6000110.8L140 W157 T158 A159 T167 Q168 W171L140-I148 HydrophobicContact CB-CG2 4.23Å; L140-I148 HydrophobicContact CD1-CG2 4.15Å; L140-I148 PolarHBondContact N-O 2.96Å; L140-I148 PolarHBondContact O-N 3.44Å; I148-W157 HydrophobicContact CD1-CB 4.26Å; I148-W157 HydrophobicContact CD1-CD2 4.35Å; I148-W157 HydrophobicContact CD1-CE3 4.11Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.43Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; I148-T158 WeakPolarHBondContact CA-O 3.41Å; I148-T158 WeakPolarHBondContact CG1-O 3.45Å; I148-A159 HydrophobicContact CG1-CB 4.45Å; I148-T167 HydrophobicContact CD1-CG2 4.21Å; I148-Q168 HydrophobicContact CD1-CB 3.84Å; I148-W171 HydrophobicContact CD1-CE3 4.04Å; I148-W171 HydrophobicContact CD1-CZ3 4.35Å; I148-W171 HydrophobicContact CG2-CE3 4.3Å; I148-W171 HydrophobicContact CG2-CH2 4.08Å; I148-W171 HydrophobicContact CG2-CZ3 3.58Å
149A98.8Very high98.3Very high32 Ų3250.2 Ų50.226%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-129.2139.9176.900000111.5Q139 W157 T158Q139-A149 HydrophobicContact CB-CB 4Å; A149-W157 WeakPolarHBondContact O-CA 3.35Å; A149-T158 PolarHBondContact N-O 3.34Å; A149-T158 PolarHBondContact O-N 2.92Å
150L98.8Very high98.3Very high14 Ų1449.6 Ų49.67%0.07330%0.295CS..EExtended strand (participates in β ladder)trans-72.5130.2166.2-175.569.1000108.3N138 L154 W157 A177 L180 L184N138-L150 HydrophobicContact CB-CB 3.89Å; N138-L150 HydrophobicContact CB-CD2 4.11Å; N138-L150 PolarHBondContact O-N 2.97Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.37Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; L150-A177 HydrophobicContact CD1-CB 3.94Å; L150-L180 HydrophobicContact CD2-CB 4.24Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151N98.6Very high98.3Very high42 Ų4251.6 Ų51.623%0.22531%0.306CS..  trans-75.8165.8-179.3-66.9-24.8000111.7D153 L154 S156 T158N151-D153 PolarHBondContact O-N 3.13Å; N151-D153 VanDerWaalsContact O-N 3.11Å; N151-L154 PolarHBondContact O-N 2.97Å; N151-S156 WeakPolarHBondContact CB-O 3.31Å; N151-S156 WeakPolarHBondContact CB-OG 3.15Å; N151-S156 PolarHBondContact N-O 2.79Å; N151-S156 PolarHBondContact ND2-OG 3.47Å; N151-T158 PolarHBondContact ND2-OG1 2.94Å; N151-T158 WeakPolarHBondContact OD1-CB 3.36Å; N151-T158 PolarHBondContact OD1-N 2.89Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
152E97.6Very high98.3Very high136 Ų13656.1 Ų56.164%0.63633%0.332SS*.THydrogen-bonded Turntrans-61.1-21.4-176.9-61.7-178.1-16400113.8R135 L154R135-E152 IonicContact CZ-OE1 3.61Å; R135-E152 IonicContact NH1-OE1 3.84Å; R135-E152 PolarHBondContact NH1-OE1 2.75Å; R135-E152 IonicContact NH1-OE2 2.81Å; R135-E152 PolarHBondContact NH1-OE2 3.12Å; R135-E152 VanDerWaalsContact NH2-CD 3.31Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 2.75Å; R135-E152 PolarHBondContact NH2-OE1 3.35Å; E152-L154 PolarHBondContact O-N 3.38Å
153D97.5Very high98.3Very high78 Ų7855.8 Ų55.842%0.41733%0.332SS..THydrogen-bonded Turntrans-73.3-6.8174.266.133.5000114.2N151 S155 S156N151-D153 PolarHBondContact O-N 3.13Å; N151-D153 VanDerWaalsContact O-N 3.11Å; D153-S155 PolarHBondContact O-N 3.37Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.5Å; D153-S155 PolarHBondContact OD1-N 3.38Å; D153-S155 PolarHBondContact OD1-OG 3.19Å; D153-S156 VanDerWaalsContact CG-OG 3.32Å; D153-S156 PolarHBondContact OD1-N 3.22Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 PolarHBondContact OD2-OG 2.85Å
154L97.9Very high98.3Very high9 Ų952.8 Ų52.85%0.04732%0.316CS..SBendtrans5328.9-176.5-52.3-178.1000114.1L133 L150 N151 E152 R181 L184 E185L133-L154 HydrophobicContact CD2-CD1 4.11Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.37Å; N151-L154 PolarHBondContact O-N 2.97Å; E152-L154 PolarHBondContact O-N 3.38Å; L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.99Å; L154-R181 HydrophobicContact CD1-CG 4.4Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L154-E185 HydrophobicContact CD1-CG 4.2Å
155S97.8Very high98.3Very high71 Ų7153.4 Ų53.450%0.49730%0.303SS..SBendtrans-139-27.5-174.570.60000113.9D153 A177D153-S155 PolarHBondContact O-N 3.37Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.5Å; D153-S155 PolarHBondContact OD1-N 3.38Å; D153-S155 PolarHBondContact OD1-OG 3.19Å; S155-A177 WeakPolarHBondContact O-CB 3.41Å
156S98Very high98.3Very high39 Ų3948.8 Ų48.827%0.27329%0.285SS..  trans-118.8165-177.574.40000112.5N151 D153N151-S156 WeakPolarHBondContact CB-O 3.31Å; N151-S156 WeakPolarHBondContact CB-OG 3.15Å; N151-S156 PolarHBondContact N-O 2.79Å; N151-S156 PolarHBondContact ND2-OG 3.47Å; D153-S156 VanDerWaalsContact CG-OG 3.32Å; D153-S156 PolarHBondContact OD1-N 3.22Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 PolarHBondContact OD2-OG 2.85Å
157W98.7Very high98.3Very high12 Ų1243.8 Ų43.85%0.04526%0.259CS..EExtended strand (participates in β ladder)trans-124.1143.8-173.1-62.497.9000112.1N138 I148 A149 L150 Q168 W171 E176 A177 L180N138-W157 WeakPolarHBondContact ND2-CH2 3.46Å; N138-W157 WeakPolarHBondContact ND2-CZ3 3.27Å; I148-W157 HydrophobicContact CD1-CB 4.26Å; I148-W157 HydrophobicContact CD1-CD2 4.35Å; I148-W157 HydrophobicContact CD1-CE3 4.11Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.43Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; A149-W157 WeakPolarHBondContact O-CA 3.35Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.21Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.04Å; L150-W157 HydrophobicContact CD1-CZ2 3.98Å; L150-W157 HydrophobicContact CD1-CZ3 4.16Å; W157-Q168 HydrophobicContact CB-CG 4.08Å; W157-Q168 PolarHBondContact O-NE2 3.07Å; W157-W171 HydrophobicContact CD2-CE3 4.13Å; W157-W171 AromaticContact CE2-CE3 3.94Å; W157-W171 AromaticContact CE3-CE3 3.92Å; W157-W171 HydrophobicContact CE3-CE3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 4.08Å; W157-W171 HydrophobicContact CH2-CD2 4.37Å; W157-W171 AromaticContact CH2-CE3 3.3Å; W157-W171 HydrophobicContact CH2-CE3 3.3Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CB 4.41Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.14Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.38Å; W157-W171 HydrophobicContact CZ3-CZ3 3.38Å; W157-E176 HydrophobicContact CZ2-CB 4.2Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; W157-L180 HydrophobicContact CH2-CD1 3.4Å; W157-L180 VanDerWaalsContact CH2-CD1 3.4Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å
158T98.7Very high98.3Very high81 Ų8145.6 Ų45.650%0.49727%0.267SS..EExtended strand (participates in β ladder)trans-109.1116165.3-64.90000109.2I148 A149 N151I148-T158 WeakPolarHBondContact CA-O 3.41Å; I148-T158 WeakPolarHBondContact CG1-O 3.45Å; A149-T158 PolarHBondContact N-O 3.34Å; A149-T158 PolarHBondContact O-N 2.92Å; N151-T158 PolarHBondContact ND2-OG1 2.94Å; N151-T158 WeakPolarHBondContact OD1-CB 3.36Å; N151-T158 PolarHBondContact OD1-N 2.89Å; N151-T158 PolarHBondContact OD1-OG1 2.93Å
159A98.6Very high98.3Very high22 Ų2253 Ų5318%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-96.7132.1173.600000110.6I148 A164 Q165 Q168I148-A159 HydrophobicContact CG1-CB 4.45Å; A159-A164 HydrophobicContact CB-CB 3.75Å; A159-Q165 HydrophobicContact CB-CG 3.99Å; A159-Q168 HydrophobicContact CB-CB 4.41Å
160A98.5Very high98.3Very high61 Ų6156.9 Ų56.950%0.50431%0.306SS..SBendtrans-74.5-29.7-176.200000113.6D146 Y147D146-A160 HydrophobicContact CB-CB 4.33Å; D146-A160 WeakPolarHBondContact O-CB 3.44Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.02Å
161D98.3Very high98.2Very high50 Ų5059 Ų5927%0.26731%0.313SS..SBendtrans-150.5-175.7-17867.631.6000113.4Y109 A163 A164 Q165Y109-D161 WeakPolarHBondContact CE1-OD2 3.17Å; Y109-D161 VanDerWaalsContact OH-CG 3.3Å; Y109-D161 PolarHBondContact OH-OD1 2.89Å; Y109-D161 PolarHBondContact OH-OD2 3.48Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.94Å; D161-A163 WeakPolarHBondContact OD1-CA 3.36Å; D161-A163 WeakPolarHBondContact OD1-CB 3.44Å; D161-A163 PolarHBondContact OD1-N 3.29Å; D161-A164 PolarHBondContact O-N 3.46Å; D161-A164 PolarHBondContact OD1-N 2.95Å; D161-Q165 WeakPolarHBondContact O-CG 3.46Å; D161-Q165 PolarHBondContact O-N 2.9Å
162T98.1Very high98.2Very high111 Ų11161.4 Ų61.468%0.68132%0.323SS*.THydrogen-bonded Turntrans-69.5-22.9-179.151.10000114.3
163A97.9Very high98.3Very high5 Ų559.2 Ų59.24%0.04133%0.328CS..THydrogen-bonded Turntrans-75.6-45.3172.800000110.1Y108 Y109 Y147 D161 Q165 I166Y108-A163 HydrophobicContact CD2-CB 4.4Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.49Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.99Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 3.47Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.94Å; D161-A163 WeakPolarHBondContact OD1-CA 3.36Å; D161-A163 WeakPolarHBondContact OD1-CB 3.44Å; D161-A163 PolarHBondContact OD1-N 3.29Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.89Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.24Å; A163-I166 PolarHBondContact O-N 2.89Å
164A98.3Very high98.3Very high0 Ų057.9 Ų57.90%033%0.327CS..Hα-helixtrans-60.1-3517400000113.1Y147 A159 D161 I166 T167 Q168Y147-A164 HydrophobicContact CD1-CB 4.31Å; Y147-A164 HydrophobicContact CD2-CB 4.01Å; Y147-A164 HydrophobicContact CE1-CB 4.21Å; Y147-A164 HydrophobicContact CE2-CB 3.92Å; Y147-A164 HydrophobicContact CG-CB 4.21Å; Y147-A164 WeakPolarHBondContact O-CB 3.34Å; A159-A164 HydrophobicContact CB-CB 3.75Å; D161-A164 PolarHBondContact O-N 3.46Å; D161-A164 PolarHBondContact OD1-N 2.95Å; A164-I166 PolarHBondContact O-N 3.31Å; A164-T167 WeakPolarHBondContact O-CA 3.47Å; A164-T167 WeakPolarHBondContact O-CB 3.46Å; A164-T167 PolarHBondContact O-N 3.02Å; A164-Q168 PolarHBondContact O-N 3.39Å
165Q98.6Very high98.3Very high74 Ų7464.9 Ų64.935%0.34635%0.353SS..Hα-helixtrans-58.6-26.5172-74.7173.919.700113.5A159 D161 A163 R169A159-Q165 HydrophobicContact CB-CG 3.99Å; D161-Q165 WeakPolarHBondContact O-CG 3.46Å; D161-Q165 PolarHBondContact O-N 2.9Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.89Å; Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 2.86Å
166I98.3Very high98.3Very high63 Ų6364.4 Ų64.432%0.32334%0.343SS..Hα-helixtrans-70.5-39.7174-52.4172.3000110.1Y108 A163 A164 K170Y108-I166 HydrophobicContact CD1-CD1 4.16Å; Y108-I166 HydrophobicContact CD2-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CD1 4.31Å; Y108-I166 HydrophobicContact CE1-CG2 4.04Å; Y108-I166 HydrophobicContact CE2-CB 3.99Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.24Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.19Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.24Å; A163-I166 PolarHBondContact O-N 2.89Å; A164-I166 PolarHBondContact O-N 3.31Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 3.38Å
167T98.1Very high98.3Very high15 Ų1563 Ų639%0.09233%0.334CS..Hα-helixtrans-66.7-45.5172.7-68.40000111.2Y147 I148 A164 R169 K170 W171Y147-T167 HydrophobicContact CE1-CG2 4.19Å; Y147-T167 PolarHBondContact OH-OG1 3.03Å; I148-T167 HydrophobicContact CD1-CG2 4.21Å; A164-T167 WeakPolarHBondContact O-CA 3.47Å; A164-T167 WeakPolarHBondContact O-CB 3.46Å; A164-T167 PolarHBondContact O-N 3.02Å; T167-R169 PolarHBondContact O-N 3.12Å; T167-K170 WeakPolarHBondContact O-CB 3.34Å; T167-K170 PolarHBondContact O-N 3.48Å; T167-K170 VanDerWaalsContact O-N 3.11Å; T167-W171 HydrophobicContact CG2-CD2 3.61Å; T167-W171 HydrophobicContact CG2-CE3 3.99Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 4.31Å; T167-W171 HydrophobicContact CG2-CZ2 3.94Å; T167-W171 HydrophobicContact CG2-CZ3 4.32Å; T167-W171 PolarHBondContact O-N 3.44Å
168Q98.6Very high98.3Very high40 Ų4067.4 Ų67.419%0.18736%0.355CS..Hα-helixtrans-51.2-55177.7176171.66.100111.9I148 W157 A159 A164 K170 W171 E172I148-Q168 HydrophobicContact CD1-CB 3.84Å; W157-Q168 HydrophobicContact CB-CG 4.08Å; W157-Q168 PolarHBondContact O-NE2 3.07Å; A159-Q168 HydrophobicContact CB-CB 4.41Å; A164-Q168 PolarHBondContact O-N 3.39Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.42Å; Q168-W171 PolarHBondContact O-N 3.44Å; Q168-E172 VanDerWaalsContact CG-CD 3.5Å; Q168-E172 HydrophobicContact CG-CG 4.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.31Å; Q168-E172 PolarHBondContact NE2-OE1 3.4Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.39Å; Q168-E172 PolarHBondContact O-N 2.84Å
169R98.6Very high98.2Very high157 Ų15769.3 Ų69.359%0.59236%0.358SS*.Hα-helixtrans-59.6-34.6-179.4-66.8170.3-162.8159.410.2113Q165 T167 A173Q165-R169 WeakPolarHBondContact O-CG 3.44Å; Q165-R169 PolarHBondContact O-N 2.86Å; T167-R169 PolarHBondContact O-N 3.12Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 3.02Å; R169-A173 VanDerWaalsContact O-N 3.13Å
170K98.1Very high98.2Very high115 Ų11569.5 Ų69.550%0.536%0.356SS..Hα-helixtrans-68.9-43.8175.2-73.2175.6174.2-177.10111.4Y108 I166 T167 Q168 A173 A174Y108-K170 PolarHBondContact OH-NZ 3.5Å; I166-K170 WeakPolarHBondContact O-CG 3.47Å; I166-K170 PolarHBondContact O-N 3.38Å; T167-K170 WeakPolarHBondContact O-CB 3.34Å; T167-K170 PolarHBondContact O-N 3.48Å; T167-K170 VanDerWaalsContact O-N 3.11Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.42Å; K170-A173 PolarHBondContact O-N 3.17Å; K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.83Å
171W98.3Very high98.2Very high59 Ų5971.4 Ų71.422%0.22335%0.35CS..Hα-helixtrans-71.6-34.1-179-752.7000113.1L140 I148 W157 T167 Q168 A174 R175 E176L140-W171 HydrophobicContact CD1-CH2 3.83Å; L140-W171 HydrophobicContact CD1-CZ3 4.15Å; L140-W171 HydrophobicContact CD2-CH2 3.79Å; L140-W171 HydrophobicContact CD2-CZ2 4.5Å; I148-W171 HydrophobicContact CD1-CE3 4.04Å; I148-W171 HydrophobicContact CD1-CZ3 4.35Å; I148-W171 HydrophobicContact CG2-CE3 4.3Å; I148-W171 HydrophobicContact CG2-CH2 4.08Å; I148-W171 HydrophobicContact CG2-CZ3 3.58Å; W157-W171 HydrophobicContact CD2-CE3 4.13Å; W157-W171 AromaticContact CE2-CE3 3.94Å; W157-W171 AromaticContact CE3-CE3 3.92Å; W157-W171 HydrophobicContact CE3-CE3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 4.08Å; W157-W171 HydrophobicContact CH2-CD2 4.37Å; W157-W171 AromaticContact CH2-CE3 3.3Å; W157-W171 HydrophobicContact CH2-CE3 3.3Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CB 4.41Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CE3 3.55Å; W157-W171 HydrophobicContact CZ2-CZ3 4.14Å; W157-W171 AromaticContact CZ3-CE3 3.52Å; W157-W171 HydrophobicContact CZ3-CE3 3.52Å; W157-W171 AromaticContact CZ3-CZ3 3.38Å; W157-W171 HydrophobicContact CZ3-CZ3 3.38Å; T167-W171 HydrophobicContact CG2-CD2 3.61Å; T167-W171 HydrophobicContact CG2-CE3 3.99Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CH2 4.31Å; T167-W171 HydrophobicContact CG2-CZ2 3.94Å; T167-W171 HydrophobicContact CG2-CZ3 4.32Å; T167-W171 PolarHBondContact O-N 3.44Å; Q168-W171 PolarHBondContact O-N 3.44Å; W171-A174 CarbonylContact O-C 3.54Å; W171-R175 PolarHBondContact O-N 3.22Å; W171-E176 HydrophobicContact CB-CB 3.97Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CD2-CG 4.47Å; W171-E176 HydrophobicContact CG-CB 4.12Å; W171-E176 HydrophobicContact CG-CG 3.78Å; W171-E176 PolarHBondContact O-N 3.11Å
172E98.5Very high98.2Very high92 Ų9272.1 Ų72.143%0.4336%0.363SS..Hα-helixtrans-64.9-48.3169.8-71.5167.2169.300111Q168 A174 R175Q168-E172 VanDerWaalsContact CG-CD 3.5Å; Q168-E172 HydrophobicContact CG-CG 4.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.31Å; Q168-E172 PolarHBondContact NE2-OE1 3.4Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.39Å; Q168-E172 PolarHBondContact O-N 2.84Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.14Å; E172-R175 PolarHBondContact O-N 2.85Å; E172-R175 VanDerWaalsContact O-N 3.15Å
173A98.4Very high98.2Very high89 Ų8969.5 Ų69.574%0.73634%0.341SS*.Hα-helixtrans-62.9-33.3177.100000113.3R169 K170R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 3.02Å; R169-A173 VanDerWaalsContact O-N 3.13Å; K170-A173 PolarHBondContact O-N 3.17Å
174A98.1Very high98.2Very high50 Ų5069.4 Ų69.441%0.41334%0.34SS..THydrogen-bonded Turntrans-89.4-0.2176.800000114.3K170 W171 E172 E176K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.83Å; W171-A174 CarbonylContact O-C 3.54Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.14Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.1Å; A174-E176 PolarHBondContact O-N 3.1Å
175R97.8Very high98.2Very high157 Ų15773.5 Ų73.559%0.59236%0.359SS*.THydrogen-bonded Turntrans54.136.3-178-63.3172.1170.7-122.66.3114.3W171 E172 A177 E178W171-R175 PolarHBondContact O-N 3.22Å; E172-R175 PolarHBondContact O-N 2.85Å; E172-R175 VanDerWaalsContact O-N 3.15Å; R175-A177 PolarHBondContact O-N 3.32Å; R175-A177 VanDerWaalsContact O-N 3.15Å; R175-E178 HydrophobicContact CB-CB 4.5Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.3Å; R175-E178 IonicContact CZ-OE1 3.42Å; R175-E178 IonicContact NE-OE1 3.75Å; R175-E178 IonicContact NH1-OE1 3.16Å; R175-E178 PolarHBondContact NH1-OE1 3Å; R175-E178 IonicContact NH1-OE2 3.66Å; R175-E178 PolarHBondContact NH1-OE2 3.26Å; R175-E178 WeakPolarHBondContact O-CB 3.12Å; R175-E178 PolarHBondContact O-N 3.04Å
176E97.8Very high98.1Very high61 Ų6171.1 Ų71.129%0.28535%0.354SS..Hα-helixtrans-58.6-30.5-178-66.1-71.8-17900113W157 W171 A174 E178 Q179 L180W157-E176 HydrophobicContact CZ2-CB 4.2Å; W171-E176 HydrophobicContact CB-CB 3.97Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CD2-CG 4.47Å; W171-E176 HydrophobicContact CG-CB 4.12Å; W171-E176 HydrophobicContact CG-CG 3.78Å; W171-E176 PolarHBondContact O-N 3.11Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.1Å; A174-E176 PolarHBondContact O-N 3.1Å; E176-E178 VanDerWaalsContact C-N 3.32Å; E176-E178 PolarHBondContact O-N 3.4Å; E176-Q179 PolarHBondContact O-N 3.43Å; E176-L180 WeakPolarHBondContact O-CG 3.48Å; E176-L180 PolarHBondContact O-N 3.12Å
177A98.4Very high98.1Very high8 Ų872.2 Ų72.27%0.06636%0.36CS..Hα-helixtrans-62.1-36.8175.700000112.4L150 S155 W157 R175 Q179 L180 R181L150-A177 HydrophobicContact CD1-CB 3.94Å; S155-A177 WeakPolarHBondContact O-CB 3.41Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; R175-A177 PolarHBondContact O-N 3.32Å; R175-A177 VanDerWaalsContact O-N 3.15Å; A177-Q179 PolarHBondContact O-N 3Å; A177-L180 PolarHBondContact O-N 3Å; A177-R181 WeakPolarHBondContact O-CB 3.26Å; A177-R181 PolarHBondContact O-N 3.5Å
178E98.1Very high98.1Very high105 Ų10571.5 Ų71.549%0.49136%0.356SS..Hα-helixtrans-64.6-41177.7-62.3176.9-169.900111.2R175 E176 A182R175-E178 HydrophobicContact CB-CB 4.5Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.3Å; R175-E178 IonicContact CZ-OE1 3.42Å; R175-E178 IonicContact NE-OE1 3.75Å; R175-E178 IonicContact NH1-OE1 3.16Å; R175-E178 PolarHBondContact NH1-OE1 3Å; R175-E178 IonicContact NH1-OE2 3.66Å; R175-E178 PolarHBondContact NH1-OE2 3.26Å; R175-E178 WeakPolarHBondContact O-CB 3.12Å; R175-E178 PolarHBondContact O-N 3.04Å; E176-E178 VanDerWaalsContact C-N 3.32Å; E176-E178 PolarHBondContact O-N 3.4Å; E178-A182 WeakPolarHBondContact O-CB 3.45Å; E178-A182 PolarHBondContact O-N 3.21Å
179Q97.1Very high98.1Very high121 Ų12169.9 Ų69.957%0.56535%0.348SS*.Hα-helixtrans-67.5-44.4177.5-61.1-177.155.200111.9E176 A177 A182 Y183E176-Q179 PolarHBondContact O-N 3.43Å; A177-Q179 PolarHBondContact O-N 3Å; Q179-A182 PolarHBondContact O-N 3.25Å; Q179-Y183 PolarHBondContact O-N 3.27Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å
180L98Very high98.1Very high26 Ų2668 Ų6814%0.13635%0.346CS..Hα-helixtrans-65.8-42177.8-72.7165.5000111.6N138 L150 W157 E176 A177 Y183 L184N138-L180 WeakPolarHBondContact ND2-CD1 3.38Å; L150-L180 HydrophobicContact CD2-CB 4.24Å; W157-L180 HydrophobicContact CH2-CD1 3.4Å; W157-L180 VanDerWaalsContact CH2-CD1 3.4Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å; E176-L180 WeakPolarHBondContact O-CG 3.48Å; E176-L180 PolarHBondContact O-N 3.12Å; A177-L180 PolarHBondContact O-N 3Å; L180-Y183 PolarHBondContact O-N 2.83Å; L180-L184 WeakPolarHBondContact O-CB 3.33Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 3.17Å
181R98.3Very high98.1Very high102 Ų10264.6 Ų64.639%0.38533%0.33SS..Hα-helixtrans-57.8-48.7173.5-179.7178.7176.1146.117.8111.4L154 A177 Y183 L184 E185L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.99Å; L154-R181 HydrophobicContact CD1-CG 4.4Å; A177-R181 WeakPolarHBondContact O-CB 3.26Å; A177-R181 PolarHBondContact O-N 3.5Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 2.88Å; R181-L184 PolarHBondContact O-N 2.87Å; R181-L184 VanDerWaalsContact O-N 3.1Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 VanDerWaalsContact CG-OE2 3.24Å; R181-E185 WeakPolarHBondContact CG-OE2 3.28Å; R181-E185 IonicContact CZ-OE1 3.4Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 3.58Å; R181-E185 IonicContact NE-OE1 3.2Å; R181-E185 PolarHBondContact NE-OE1 2.7Å; R181-E185 VanDerWaalsContact NE-OE1 3.07Å; R181-E185 IonicContact NE-OE2 3.84Å; R181-E185 PolarHBondContact NE-OE2 3Å; R181-E185 IonicContact NH2-OE1 3.52Å; R181-E185 PolarHBondContact NH2-OE1 3.48Å; R181-E185 IonicContact NH2-OE2 3.44Å; R181-E185 WeakPolarHBondContact O-CB 3.27Å; R181-E185 PolarHBondContact O-N 2.93Å
182A98.4Very high98.1Very high65 Ų6561.8 Ų61.854%0.53732%0.32SS..Hα-helixtrans-59.4-37.4177.900000112.8E178 Q179 G186E178-A182 WeakPolarHBondContact O-CB 3.45Å; E178-A182 PolarHBondContact O-N 3.21Å; Q179-A182 PolarHBondContact O-N 3.25Å; A182-G186 PolarHBondContact O-N 3.43Å
183Y98.1Very high98Very high56 Ų5663.1 Ų63.122%0.2232%0.321CS..Iπ-helixtrans-67.9-45.6171.8171.6-96.2000112.6Y123 Q179 L180 R181 L187 C188Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.77Å; Y123-Y183 HydrophobicContact CE2-CE1 3.77Å; Q179-Y183 PolarHBondContact O-N 3.27Å; Q179-Y183 VanDerWaalsContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 2.83Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 2.88Å; Y183-L187 HydrophobicContact CD2-CB 3.89Å; Y183-L187 HydrophobicContact CD2-CD1 4.26Å; Y183-L187 HydrophobicContact CE2-CB 4.11Å; Y183-L187 PolarHBondContact O-N 2.87Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3.13Å
184L98.4Very high97.9Very high2 Ų264.6 Ų64.61%0.0131%0.307CS..Iπ-helixtrans-72.2-37.5-174.1-71.5171.3000113.2G124 L150 L154 L180 R181 V189G124-L184 WeakPolarHBondContact O-CD2 3.41Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD1-CB 4.49Å; L154-L184 HydrophobicContact CD2-CD1 4.03Å; L180-L184 WeakPolarHBondContact O-CB 3.33Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 3.17Å; R181-L184 PolarHBondContact O-N 2.87Å; R181-L184 VanDerWaalsContact O-N 3.1Å; L184-V189 WeakPolarHBondContact O-CG2 3.17Å
185E97.9Very high97.9Very high87 Ų8762.3 Ų62.341%0.40729%0.288SS..Iπ-helixtrans-81.2-26.6176-68.3-179.5149.200113L133 L154 R181 V189L133-E185 HydrophobicContact CD2-CB 4.45Å; L133-E185 HydrophobicContact CD2-CG 3.73Å; L154-E185 HydrophobicContact CD1-CG 4.2Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 VanDerWaalsContact CG-OE2 3.24Å; R181-E185 WeakPolarHBondContact CG-OE2 3.28Å; R181-E185 IonicContact CZ-OE1 3.4Å; R181-E185 VanDerWaalsContact CZ-OE1 3.28Å; R181-E185 IonicContact CZ-OE2 3.58Å; R181-E185 IonicContact NE-OE1 3.2Å; R181-E185 PolarHBondContact NE-OE1 2.7Å; R181-E185 VanDerWaalsContact NE-OE1 3.07Å; R181-E185 IonicContact NE-OE2 3.84Å; R181-E185 PolarHBondContact NE-OE2 3Å; R181-E185 IonicContact NH2-OE1 3.52Å; R181-E185 PolarHBondContact NH2-OE1 3.48Å; R181-E185 IonicContact NH2-OE2 3.44Å; R181-E185 WeakPolarHBondContact O-CB 3.27Å; R181-E185 PolarHBondContact O-N 2.93Å; E185-V189 WeakPolarHBondContact O-CG2 3.3Å
186G97.7Very high97.8Very high23 Ų2355.5 Ų55.524%0.23726%0.263CS..Iπ-helixtrans-104.1-97.1-179.300000113.1A182 C188 V189 E190A182-G186 PolarHBondContact O-N 3.43Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact O-N 3.12Å; G186-V189 WeakPolarHBondContact O-CB 3.17Å; G186-V189 PolarHBondContact O-N 2.86Å; G186-E190 PolarHBondContact O-N 2.04Å
187L97.6Very high97.8Very high87 Ų8758 Ų5846%0.45528%0.275SS..Iπ-helixtrans-53.5-38-169.5-71.1174.3000114Y183 E190 W191Y183-L187 HydrophobicContact CD2-CB 3.89Å; Y183-L187 HydrophobicContact CD2-CD1 4.26Å; Y183-L187 HydrophobicContact CE2-CB 4.11Å; Y183-L187 PolarHBondContact O-N 2.87Å; L187-E190 PolarHBondContact O-N 3.35Å; L187-W191 WeakPolarHBondContact O-CB 3.48Å; L187-W191 PolarHBondContact O-N 3.15Å
188C98.3Very high97.7Very high0 Ų060 Ų600%028%0.284CS..Hα-helixtrans-61.9-45.9178.4-168.50000111.4M29 C125 Y183 G186 L192M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 VanDerWaalsContact CE-O 3.27Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 VanDerWaalsContact CE-SG 3.5Å; C125-C188 HydrophobicContact CB-CB 3.88Å; C125-C188 WeakPolarHBondContact CB-SG 3.43Å; C125-C188 PolarHBondContact N-SG 3.48Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 3.42Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.32Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3.13Å; G186-C188 VanDerWaalsContact C-N 3.27Å; G186-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact O-N 3.12Å; C188-L192 VanDerWaalsContact O-CB 3.3Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 3.02Å
189V98.1Very high97.5Very high6 Ų655.1 Ų55.14%0.03626%0.262CS..Hα-helixtrans-63.4-44.4176.5-179.70000111.1L127 L133 L184 E185 G186 R193L127-V189 HydrophobicContact CD1-CG1 4.34Å; L127-V189 HydrophobicContact CD2-CB 4.18Å; L127-V189 HydrophobicContact CD2-CG1 3.76Å; L127-V189 HydrophobicContact CD2-CG2 3.88Å; L133-V189 HydrophobicContact CB-CG2 4.1Å; L133-V189 HydrophobicContact CD1-CG2 4.19Å; L184-V189 WeakPolarHBondContact O-CG2 3.17Å; E185-V189 WeakPolarHBondContact O-CG2 3.3Å; G186-V189 WeakPolarHBondContact O-CB 3.17Å; G186-V189 PolarHBondContact O-N 2.86Å; V189-R193 VanDerWaalsContact CG1-CZ 3.44Å; V189-R193 WeakPolarHBondContact O-CB 3.2Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 2.91Å
190E97.9Very high97.4Very high117 Ų11753.8 Ų53.855%0.54726%0.255SS..Hα-helixtrans-62.7-47.9179.8-68.9176.9175.300112.3G186 L187 R194G186-E190 PolarHBondContact O-N 2.04Å; L187-E190 PolarHBondContact O-N 3.35Å; E190-R194 WeakPolarHBondContact O-CB 3.03Å; E190-R194 PolarHBondContact O-N 2.68Å
191W98.1Very high97.1Very high43 Ų4360.7 Ų60.716%0.16329%0.287CS..Hα-helixtrans-66.1-43.2178.2-80.3110.2000112.1M29 Y83 R86 L187 R193 R194 Y195M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.41Å; Y83-W191 AromaticContact CD2-CH2 3.72Å; Y83-W191 HydrophobicContact CD2-CH2 3.72Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 HydrophobicContact CD2-CZ3 4.02Å; Y83-W191 HydrophobicContact CE2-CE3 4.49Å; Y83-W191 HydrophobicContact CE2-CH2 4.13Å; Y83-W191 HydrophobicContact CE2-CZ3 4.06Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.29Å; L187-W191 WeakPolarHBondContact O-CB 3.48Å; L187-W191 PolarHBondContact O-N 3.15Å; W191-R193 PolarHBondContact O-N 3.4Å; W191-R194 WeakPolarHBondContact O-CB 3.03Å; W191-R194 PolarHBondContact O-N 3.47Å; W191-Y195 HydrophobicContact CB-CE2 3.98Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.48Å; W191-Y195 HydrophobicContact CE3-CE1 3.48Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.48Å; W191-Y195 HydrophobicContact CE3-CE2 4.38Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 AromaticContact CZ3-CE1 3.93Å; W191-Y195 HydrophobicContact CZ3-CE1 3.93Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 PolarHBondContact O-N 3.08Å
192L98.3Very high96.8Very high0 Ų058 Ų580%028%0.281CS..Hα-helixtrans-61.5-45.6176.8174.451.1000111.7H27 M29 V52 L127 C188 R194 Y195 L196H27-L192 HydrophobicContact CB-CD1 4.48Å; M29-L192 HydrophobicContact CB-CB 4.02Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.35Å; V52-L192 HydrophobicContact CG1-CD1 3.58Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; L127-L192 HydrophobicContact CD1-CB 4.25Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.6Å; L127-L192 HydrophobicContact CG-CG 4.24Å; C188-L192 VanDerWaalsContact O-CB 3.3Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 3.02Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.81Å; L192-Y195 PolarHBondContact O-N 2.9Å; L192-L196 HydrophobicContact CD1-CD1 3.76Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.79Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.3Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 3.29Å
193R96.9Very high96.5Very high120 Ų12055 Ų5545%0.45326%0.257SS..Hα-helixtrans-58.5-43.2174-72.8174.8-175.61620.4112.4L127 G131 V189 W191 L196 E197L127-R193 HydrophobicContact CD1-CG 3.94Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.92Å; G131-R193 PolarHBondContact O-NH2 3.48Å; V189-R193 VanDerWaalsContact CG1-CZ 3.44Å; V189-R193 WeakPolarHBondContact O-CB 3.2Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 2.91Å; W191-R193 PolarHBondContact O-N 3.4Å; R193-L196 PolarHBondContact O-N 3Å; R193-E197 PolarHBondContact O-N 2.74Å; R193-E197 VanDerWaalsContact O-N 3.12Å
194R97.2Very high96.2Very high121 Ų12156.6 Ų56.646%0.45727%0.266SS..Hα-helixtrans-61.3-45.1175.7178.7179.4173.9112.3-7111.5E79 E190 W191 L192 E197 N198E79-R194 VanDerWaalsContact CD-NH2 3.35Å; E79-R194 IonicContact OE1-CZ 2.82Å; E79-R194 IonicContact OE1-NE 2.78Å; E79-R194 PolarHBondContact OE1-NE 2.98Å; E79-R194 IonicContact OE1-NH2 2.74Å; E79-R194 PolarHBondContact OE1-NH2 3.44Å; E79-R194 IonicContact OE2-CZ 3.28Å; E79-R194 IonicContact OE2-NE 3.89Å; E79-R194 IonicContact OE2-NH2 3.07Å; E79-R194 PolarHBondContact OE2-NH2 3.13Å; E190-R194 WeakPolarHBondContact O-CB 3.03Å; E190-R194 PolarHBondContact O-N 2.68Å; W191-R194 WeakPolarHBondContact O-CB 3.03Å; W191-R194 PolarHBondContact O-N 3.47Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.81Å; R194-E197 PolarHBondContact O-N 3.1Å; R194-N198 VanDerWaalsContact O-CB 3.31Å; R194-N198 WeakPolarHBondContact O-CB 3Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.44Å
195Y97.7Very high96Very high1 Ų161.9 Ų61.90%0.00429%0.286CS..Hα-helixtrans-66.6-38.4178.5-61.4-26.1000112.6M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203M29-Y195 HydrophobicContact SD-CD2 3.76Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.5Å; F57-Y195 HydrophobicContact CD2-CE2 4.48Å; F57-Y195 HydrophobicContact CE2-CD2 4.11Å; F57-Y195 AromaticContact CE2-CE2 3.55Å; F57-Y195 HydrophobicContact CE2-CE2 3.55Å; F57-Y195 AromaticContact CE2-CZ 3.88Å; F57-Y195 HydrophobicContact CZ-CD2 4.13Å; F57-Y195 AromaticContact CZ-CE2 3.66Å; F57-Y195 HydrophobicContact CZ-CE2 3.66Å; W75-Y195 HydrophobicContact CE3-CD1 4.4Å; W75-Y195 HydrophobicContact CH2-CD2 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.14Å; W75-Y195 AromaticContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD1 3.74Å; W75-Y195 HydrophobicContact CZ3-CD2 4.25Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; I76-Y195 HydrophobicContact CD1-CD1 3.83Å; I76-Y195 HydrophobicContact CD1-CE1 3.27Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.29Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 PolarHBondContact OH-OH 2.94Å; Y83-Y195 VanDerWaalsContact OH-OH 3.05Å; W191-Y195 HydrophobicContact CB-CE2 3.98Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.48Å; W191-Y195 HydrophobicContact CE3-CE1 3.48Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.48Å; W191-Y195 HydrophobicContact CE3-CE2 4.38Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 AromaticContact CZ3-CE1 3.93Å; W191-Y195 HydrophobicContact CZ3-CE1 3.93Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.38Å; W191-Y195 PolarHBondContact O-N 3.08Å; L192-Y195 PolarHBondContact O-N 2.9Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; Y195-E197 PolarHBondContact O-N 2.85Å; Y195-N198 PolarHBondContact O-N 3.18Å; Y195-G199 WeakPolarHBondContact O-CA 3.37Å; Y195-G199 PolarHBondContact O-N 3.35Å; Y195-L203 WeakPolarHBondContact O-CD1 3.17Å
196L96.4Very high95.8Very high14 Ų1459.1 Ų59.17%0.07328%0.278CS..Hα-helixtrans-64-36.5175.4-71.5167.9000112.8H27 V52 L192 R193 K200 L203 Q204H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.29Å; V52-L196 HydrophobicContact CG1-CD2 4.1Å; L192-L196 HydrophobicContact CD1-CD1 3.76Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 3.79Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.3Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 3.29Å; R193-L196 PolarHBondContact O-N 3Å; L196-K200 VanDerWaalsContact O-CA 3.26Å; L196-K200 WeakPolarHBondContact O-CA 3.47Å; L196-K200 PolarHBondContact O-N 2.79Å; L196-K200 VanDerWaalsContact O-N 3.14Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; L196-Q204 PolarHBondContact O-NE2 2.6Å
197E95.9Very high95.8Very high113 Ų11359.7 Ų59.753%0.52828%0.275SS..Hα-helixtrans-75.6-44.8174.3-167.960.4-158.600111.3R193 R194 Y195 G199 K200R193-E197 PolarHBondContact O-N 2.74Å; R193-E197 VanDerWaalsContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 3.1Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; Y195-E197 PolarHBondContact O-N 2.85Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.94Å; E197-K200 WeakPolarHBondContact O-CB 3.27Å; E197-K200 PolarHBondContact O-N 3.38Å; E197-K200 IonicContact OE1-NZ 2.74Å; E197-K200 PolarHBondContact OE1-NZ 3.4Å; E197-K200 IonicContact OE2-NZ 2.71Å; E197-K200 PolarHBondContact OE2-NZ 3.06Å
198N96.3Very high95.8Very high50 Ų5058.6 Ų58.627%0.26727%0.274SS..Hα-helixtrans-57.4-40.8175.6-70.6-1.1000112.5W75 Q78 E79 R194 Y195W75-N198 HydrophobicContact CB-CB 4.45Å; W75-N198 WeakPolarHBondContact CB-O 3.42Å; Q78-N198 PolarHBondContact NE2-ND2 3.04Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.14Å; Q78-N198 PolarHBondContact NE2-OD1 2.84Å; E79-N198 PolarHBondContact OE1-ND2 3.5Å; R194-N198 VanDerWaalsContact O-CB 3.31Å; R194-N198 WeakPolarHBondContact O-CB 3Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.44Å; Y195-N198 PolarHBondContact O-N 3.18Å
199G95.6Very high95.8Very high3 Ų359 Ų593%0.03128%0.276CS..THydrogen-bonded Turntrans-100.412.6-175.400000114.6Y195 E197 E201 T202 L203Y195-G199 WeakPolarHBondContact O-CA 3.37Å; Y195-G199 PolarHBondContact O-N 3.35Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 2.94Å; G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.23Å; G199-E201 VanDerWaalsContact O-N 3.13Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.4Å; G199-T202 PolarHBondContact O-N 3.11Å; G199-T202 PolarHBondContact O-OG1 3.17Å; G199-L203 PolarHBondContact O-N 2.87Å
200K93.8Very high95.8Very high93 Ų9366 Ų6640%0.40431%0.306SS..Hα-helixtrans-47.4-44.7-168.9-173.4174.3-1531460115.3L196 E197 T202 Q204L196-K200 VanDerWaalsContact O-CA 3.26Å; L196-K200 WeakPolarHBondContact O-CA 3.47Å; L196-K200 PolarHBondContact O-N 2.79Å; L196-K200 VanDerWaalsContact O-N 3.14Å; E197-K200 WeakPolarHBondContact O-CB 3.27Å; E197-K200 PolarHBondContact O-N 3.38Å; E197-K200 IonicContact OE1-NZ 2.74Å; E197-K200 PolarHBondContact OE1-NZ 3.4Å; E197-K200 IonicContact OE2-NZ 2.71Å; E197-K200 PolarHBondContact OE2-NZ 3.06Å; K200-T202 PolarHBondContact O-N 2.9Å; K200-T202 VanDerWaalsContact O-N 3.17Å; K200-Q204 HydrophobicContact CG-CB 4.5Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 PolarHBondContact O-N 3.12Å
201E91.8Very high95.8Very high172 Ų17262 Ų6280%0.80429%0.29SS*.Hα-helixtrans-63.6-20.2179.8-60.7-171.116000114.3G199 R205G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 3.23Å; G199-E201 VanDerWaalsContact O-N 3.13Å; E201-R205 PolarHBondContact O-NH1 2.92Å
202T92.3Very high95.8Very high44 Ų4464 Ų6427%0.2730%0.3SS..Hα-helixtrans-105.4-68.5174.753.90000110.2G199 K200 Q204 R205 R263G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.4Å; G199-T202 PolarHBondContact O-N 3.11Å; G199-T202 PolarHBondContact O-OG1 3.17Å; K200-T202 PolarHBondContact O-N 2.9Å; K200-T202 VanDerWaalsContact O-N 3.17Å; T202-Q204 VanDerWaalsContact C-N 3.35Å; T202-Q204 PolarHBondContact O-N 2.83Å; T202-R205 WeakPolarHBondContact O-CB 3.5Å; T202-R205 PolarHBondContact O-N 2.87Å; T202-R263 VanDerWaalsContact C-NH2 3.29Å; T202-R263 PolarHBondContact O-NH1 2.82Å; T202-R263 PolarHBondContact O-NH2 3.31Å
203L93.1Very high95.8Very high4 Ų465 Ų652%0.02131%0.307CS..Hα-helixtrans-58.8-37.7-169.1-60.5172.5000114.2V52 T55 W75 Y195 L196 G199 R205V52-L203 HydrophobicContact CB-CD1 4.3Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; T55-L203 HydrophobicContact CG2-CD2 4.03Å; W75-L203 HydrophobicContact CD2-CD1 4.38Å; W75-L203 HydrophobicContact CH2-CD1 4.31Å; W75-L203 HydrophobicContact CZ2-CD1 3.76Å; W75-L203 HydrophobicContact CZ2-CD2 4.04Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å; Y195-L203 WeakPolarHBondContact O-CD1 3.17Å; L196-L203 HydrophobicContact CD2-CB 4.1Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; G199-L203 PolarHBondContact O-N 2.87Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.99Å
204Q91.4Very high95.8Very high89 Ų8960.8 Ų60.842%0.41630%0.295SS..THydrogen-bonded Turntrans-91.213178.8-58179.433.900112.7L196 K200 T202L196-Q204 PolarHBondContact O-NE2 2.6Å; K200-Q204 HydrophobicContact CG-CB 4.5Å; K200-Q204 HydrophobicContact CG-CG 4.47Å; K200-Q204 PolarHBondContact O-N 3.12Å; T202-Q204 VanDerWaalsContact C-N 3.35Å; T202-Q204 PolarHBondContact O-N 2.83Å
205R93.1Very high95.8Very high113 Ų11357.5 Ų57.543%0.42628%0.284SS..  trans-111.7111.7177.7-166.7-172.579-1356110.9E201 T202 L203 D207 R263E201-R205 PolarHBondContact O-NH1 2.92Å; T202-R205 WeakPolarHBondContact O-CB 3.5Å; T202-R205 PolarHBondContact O-N 2.87Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.99Å; R205-D207 IonicContact CZ-OD1 2.7Å; R205-D207 IonicContact CZ-OD2 2.76Å; R205-D207 IonicContact NE-OD1 3.56Å; R205-D207 PolarHBondContact NE-OD1 2.98Å; R205-D207 IonicContact NE-OD2 3.66Å; R205-D207 IonicContact NH2-OD1 2.76Å; R205-D207 PolarHBondContact NH2-OD1 3.26Å; R205-D207 IonicContact NH2-OD2 2.72Å; R205-D207 PolarHBondContact NH2-OD2 2.92Å; R205-R263 PolarHBondContact O-NH2 3.2Å
206A95.2Very high95.7Very high29 Ų2961.1 Ų61.124%0.2430%0.301CS..PPolyproline II helixtrans-75.2128.216500000110.5Y233 E288A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.25Å; A206-E288 HydrophobicContact CB-CG 3.67Å; A206-E288 WeakPolarHBondContact CB-OE1 3.46Å
207D96.6Very high95.6Very high34 Ų3465.2 Ų65.218%0.18233%0.328CS..BIsolated β-bridgetrans-103.2117.6172.3-69.1-37.9000107.6R205 F232 Y233 R263 H287R205-D207 IonicContact CZ-OD1 2.7Å; R205-D207 IonicContact CZ-OD2 2.76Å; R205-D207 IonicContact NE-OD1 3.56Å; R205-D207 PolarHBondContact NE-OD1 2.98Å; R205-D207 IonicContact NE-OD2 3.66Å; R205-D207 IonicContact NH2-OD1 2.76Å; R205-D207 PolarHBondContact NH2-OD1 3.26Å; R205-D207 IonicContact NH2-OD2 2.72Å; R205-D207 PolarHBondContact NH2-OD2 2.92Å; D207-F232 CarbonylContact O-C 3.57Å; D207-F232 WeakPolarHBondContact O-CA 3.1Å; D207-F232 WeakPolarHBondContact O-CB 3.39Å; D207-Y233 PolarHBondContact N-O 2.79Å; D207-Y233 PolarHBondContact O-N 2.86Å; D207-R263 IonicContact OD2-NH1 3.58Å; D207-H287 PolarHBondContact O-CE1 3.14Å
208P97.7Very high95.4Very high65 Ų6564.3 Ų64.342%0.42233%0.326SS..PPolyproline II helixtrans-74.2149.7-173.726.1-33.4000113.5K210 L290P208-K210 PolarHBondContact O-N 2.85Å; P208-L290 HydrophobicContact CB-CD2 3.97Å
209P98.3Very high95.3Very high9 Ų964.5 Ų64.56%0.05833%0.332CS..PPolyproline II helixtrans-66.6131.8-179.627.7-35.9000112.7T211 A229 F232 I237 V285 H287 L290P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.16Å; P209-T211 PolarHBondContact O-N 2.97Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.9Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4.09Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; P209-V285 HydrophobicContact CG-CG1 4.01Å; P209-H287 HydrophobicContact CG-CB 4.15Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.3Å; P209-L290 HydrophobicContact CG-CG 4.13Å
210K98.4Very high95Very high152 Ų15271.6 Ų71.666%0.66137%0.369SS*.EExtended strand (participates in β ladder)trans-79.8108.1164.7-63.4168-173.3165.20107.7P208 L230P208-K210 PolarHBondContact O-N 2.85Å; K210-L230 WeakPolarHBondContact CB-O 3.44Å; K210-L230 PolarHBondContact N-O 2.87Å; K210-L230 PolarHBondContact O-N 3.34Å
211T98.2Very high95Very high34 Ų3474.1 Ų74.121%0.20938%0.381CS..EExtended strand (participates in β ladder)trans-110.8141.9-170.957.90000113.4P209 W228 A229 V285 L294 L296P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.16Å; P209-T211 PolarHBondContact O-N 2.97Å; T211-W228 WeakPolarHBondContact CA-O 3.43Å; T211-A229 HydrophobicContact CG2-CB 4.31Å; T211-V285 HydrophobicContact CG2-CB 4.43Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; T211-L294 HydrophobicContact CG2-CD1 4.3Å; T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.19Å
212H97.4Very high95.2Very high83 Ų8370.2 Ų70.238%0.38436%0.363SS..EExtended strand (participates in β ladder)trans-156.7161.9172.263.9-75.5000110.9W228H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.46Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 3.49Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.78Å; H212-W228 PolarHBondContact O-N 3.21Å
213V98.3Very high95.4Very high21 Ų2168.2 Ų68.213%0.12735%0.351CS..EExtended strand (participates in β ladder)trans-113.6123.4176.1179.80000109.5L225 R226 C227 W241 L296 W298V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.34Å; V213-C227 HydrophobicContact CG2-CB 4.36Å; V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.26Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; V213-L296 HydrophobicContact CG2-CB 4.01Å; V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214T97.1Very high95.6Very high33 Ų3369.1 Ų69.120%0.20236%0.357CS..EExtended strand (participates in β ladder)trans-98.5148.3170.9630000110.8H216 L225 R226 W228T214-H216 WeakPolarHBondContact CB-NE2 3.49Å; T214-H216 PolarHBondContact OG1-NE2 3.34Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; T214-R226 PolarHBondContact N-O 3.04Å; T214-R226 PolarHBondContact O-N 3.44Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å
215H96.5Very high95.9Very high51 Ų5164.9 Ų64.924%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-119.7129.7179.2168.2-90.1000109.4A223 T224 L225 W298H215-A223 WeakPolarHBondContact NE2-CB 3.28Å; H215-T224 WeakPolarHBondContact CA-O 3.3Å; H215-L225 HydrophobicContact CB-CD2 3.96Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 VanDerWaalsContact CB-NE1 3.32Å; H215-W298 AromaticContact CG-CE2 3.8Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.98Å
216H95.5Very high96.2Very high78 Ų7861.7 Ų61.736%0.36133%0.325SS..EExtended strand (participates in β ladder)trans-132.7105.4-177.4-53.8-73.5000109.6T214 I218 A223 T224 R226T214-H216 WeakPolarHBondContact CB-NE2 3.49Å; T214-H216 PolarHBondContact OG1-NE2 3.34Å; H216-I218 PolarHBondContact O-N 2.84Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.5Å; H216-T224 PolarHBondContact N-O 2.97Å; H216-T224 PolarHBondContact O-N 2.81Å; H216-R226 PolarHBondContact CD2-NH1 3.23Å; H216-R226 PolarHBondContact NE2-NH1 3.39Å
217P94.6Very high96.3Very high99 Ų9960.3 Ų60.364%0.64331%0.314SS*.EExtended strand (participates in β ladder)trans-57.5134.7174-22.632.7000111.4
218I93Very high96.4Very high95 Ų9561.2 Ų61.249%0.48732%0.315SS..  trans-102.1-44.3172.4-54.4169.8000109.1H216 E222 T224 V272H216-I218 PolarHBondContact O-N 2.84Å; I218-E222 WeakPolarHBondContact CB-O 3.45Å; I218-E222 PolarHBondContact N-O 2.61Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.43Å; I218-V272 HydrophobicContact CD1-CG1 3.94Å; I218-V272 HydrophobicContact CD1-CG2 4.01Å
219S93.1Very high96.5Very high54 Ų5458.1 Ų58.138%0.37830%0.295SS..SBendtrans-147.7-179.6178.171.70000110.2H221 E222S219-H221 PolarHBondContact O-N 3.4Å; S219-H221 PolarHBondContact OG-N 2.85Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; S219-E222 PolarHBondContact N-O 3.47Å; S219-E222 VanDerWaalsContact O-O 3.14Å; S219-E222 PolarHBondContact OG-N 3.25Å
220D90.4Very high96.5Very high151 Ų15160.3 Ų60.381%0.80731%0.305SS*.SBendtrans-62.1-19.1171.9-63.2-25.4000112.7S275D220-S275 WeakPolarHBondContact O-CB 3.45Å; D220-S275 PolarHBondContact O-OG 3.36Å
221H93.3Very high96.5Very high146 Ų14654 Ų5468%0.67628%0.284SS*.SBendtrans-106.3-16.5-174.3-54.5-41000114.4S219 P274 S275S219-H221 PolarHBondContact O-N 3.4Å; S219-H221 PolarHBondContact OG-N 2.85Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; H221-P274 WeakPolarHBondContact O-CA 3.35Å; H221-S275 WeakPolarHBondContact CA-OG 3.19Å; H221-S275 PolarHBondContact O-N 3Å; H221-S275 PolarHBondContact O-OG 3.17Å
222E95.5Very high96.4Very high90 Ų9052.4 Ų52.442%0.42127%0.274SS..EExtended strand (participates in β ladder)trans-145.8144.1-171.1-66.5-178.916400112.8I218 S219 V272 V273 S275I218-E222 WeakPolarHBondContact CB-O 3.45Å; I218-E222 PolarHBondContact N-O 2.61Å; S219-E222 PolarHBondContact N-O 3.47Å; S219-E222 VanDerWaalsContact O-O 3.14Å; S219-E222 PolarHBondContact OG-N 3.25Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; E222-V273 WeakPolarHBondContact CA-O 3.41Å; E222-S275 PolarHBondContact N-OG 2.85Å
223A96.4Very high96.4Very high2 Ų248.6 Ų48.62%0.01726%0.256CS..EExtended strand (participates in β ladder)trans-134.1154.417200000111.6H215 H216 V272 V273H215-A223 WeakPolarHBondContact NE2-CB 3.28Å; H216-A223 CarbonylContact O-C 3.55Å; H216-A223 WeakPolarHBondContact O-CA 3.5Å; A223-V272 WeakPolarHBondContact O-CA 3.42Å; A223-V273 PolarHBondContact N-O 2.95Å; A223-V273 PolarHBondContact O-N 3.21Å
224T97.8Very high96.3Very high23 Ų2348.3 Ų48.314%0.14126%0.255CS..EExtended strand (participates in β ladder)trans-88.9123.9166.2-48.10000110H215 H216 I218 A270 V271H215-T224 WeakPolarHBondContact CA-O 3.3Å; H216-T224 PolarHBondContact N-O 2.97Å; H216-T224 PolarHBondContact O-N 2.81Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.43Å; T224-A270 HydrophobicContact CG2-CB 3.81Å; T224-V271 WeakPolarHBondContact CA-O 3.27Å
225L98.2Very high96.4Very high0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-92.8127159.5-63.2-176000109V213 T214 H215 W241 A270 V271 V273 E278 W298V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; H215-L225 HydrophobicContact CB-CD2 3.96Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.76Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 3.96Å; L225-W241 HydrophobicContact CD1-CZ3 4.15Å; L225-W241 HydrophobicContact CG-CH2 4.47Å; L225-A270 CarbonylContact O-C 3.51Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.43Å; L225-V271 PolarHBondContact O-N 3.14Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.13Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 4Å
226R98.4Very high96.4Very high47 Ų4750.7 Ų50.718%0.17727%0.266CS..EExtended strand (participates in β ladder)trans-121.3114.9175.9-177.8177.1-69.2107.21.7110.4V213 T214 H216 W228 W268 A270V213-R226 CarbonylContact C-O 3.52Å; V213-R226 WeakPolarHBondContact CA-O 3.34Å; T214-R226 PolarHBondContact N-O 3.04Å; T214-R226 PolarHBondContact O-N 3.44Å; H216-R226 PolarHBondContact CD2-NH1 3.23Å; H216-R226 PolarHBondContact NE2-NH1 3.39Å; R226-W228 VanDerWaalsContact CD-CE2 3.48Å; R226-W228 VanDerWaalsContact CD-CZ2 3.47Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.8Å; R226-W268 HydrophobicContact CG-CG 4.16Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227C98.4Very high96.4Very high0 Ų047.4 Ų47.40%025%0.251CS..EExtended strand (participates in β ladder)trans-87.7122.1174.2-1740000109.6V213 W241 W268 A269 C283V213-C227 HydrophobicContact CG2-CB 4.36Å; C227-W241 HydrophobicContact CB-CH2 4.46Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.33Å; C227-A269 PolarHBondContact N-O 2.79Å; C227-A269 PolarHBondContact O-N 3.2Å; C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.3Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 2.88Å
228W98.5Very high96.6Very high53 Ų5345 Ų4520%0.20124%0.235CC..EExtended strand (participates in β ladder)trans-104.2142.5179.3-68.788.8000111T211 H212 T214 R226 L230 W268T211-W228 WeakPolarHBondContact CA-O 3.43Å; H212-W228 VanDerWaalsContact CE1-CB 3.49Å; H212-W228 WeakPolarHBondContact CE1-CB 3.46Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 3.49Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.78Å; H212-W228 PolarHBondContact O-N 3.21Å; T214-W228 PolarHBondContact OG1-NE1 2.91Å; R226-W228 VanDerWaalsContact CD-CE2 3.48Å; R226-W228 VanDerWaalsContact CD-CZ2 3.47Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.79Å; W228-W268 HydrophobicContact CE3-CG 4.15Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.35Å; W228-W268 HydrophobicContact CZ3-CB 4.38Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229A98.6Very high96.8Very high0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-123.8125.9160.600000108.1P209 T211 F232 I237 L239 Q266 K267P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.31Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; A229-I237 HydrophobicContact CB-CD1 3.74Å; A229-L239 HydrophobicContact CB-CD1 3.96Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 2.97Å; A229-K267 PolarHBondContact N-O 3.09Å; A229-K267 PolarHBondContact O-N 3.43Å; A229-K267 VanDerWaalsContact O-O 3.06Å
230L98.5Very high97Very high54 Ų5440 Ų4028%0.28321%0.206SC..EExtended strand (participates in β ladder)trans-133.1145.7-174.9-59.8177.2000111.1K210 W228 Q266K210-L230 WeakPolarHBondContact CB-O 3.44Å; K210-L230 PolarHBondContact N-O 2.87Å; K210-L230 PolarHBondContact O-N 3.34Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; L230-Q266 HydrophobicContact CD2-CB 3.58Å
231G97.9Very high97.4Very high20 Ų2032.9 Ų32.921%0.20617%0.168CC..EExtended strand (participates in β ladder)trans73.829.7167.200000114.4T264 F265G231-T264 WeakPolarHBondContact CA-OG1 3.43Å; G231-F265 PolarHBondContact N-O 3.27Å
232F98.1Very high97.6Very high0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-103.1156.9-178.559.4-89.5000113.6D207 P209 A229 P234 I237 T257 T264 F265 K267 H287D207-F232 CarbonylContact O-C 3.57Å; D207-F232 WeakPolarHBondContact O-CA 3.1Å; D207-F232 WeakPolarHBondContact O-CB 3.39Å; P209-F232 HydrophobicContact CB-CB 3.9Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; F232-P234 VanDerWaalsContact CD2-O 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.21Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.92Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.82Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.28Å; F232-T264 WeakPolarHBondContact O-CB 3.28Å; F232-F265 WeakPolarHBondContact CD1-O 3.33Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.32Å; F232-F265 WeakPolarHBondContact CE1-O 3.39Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.7Å; F232-F265 PolarHBondContact N-O 3.37Å; F232-F265 PolarHBondContact O-N 2.93Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.87Å; F232-H287 AromaticContact CD2-NE2 3.51Å
233Y97.1Very high97.7Very high3 Ų326.9 Ų26.91%0.01214%0.137CC..BIsolated β-bridgetrans-150.4137.6171.3179-79.7000108.7D54 T55 A206 D207 R263 F265 H287D54-Y233 HydrophobicContact CB-CE2 3.88Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.01Å; T55-Y233 PolarHBondContact OG1-OH 2.86Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.29Å; A206-Y233 WeakPolarHBondContact CA-O 3.25Å; D207-Y233 PolarHBondContact N-O 2.79Å; D207-Y233 PolarHBondContact O-N 2.86Å; Y233-R263 HydrophobicContact CD2-CG 3.75Å; Y233-R263 HydrophobicContact CE2-CG 3.99Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.33Å; Y233-F265 HydrophobicContact CD2-CE2 4.2Å; Y233-H287 WeakPolarHBondContact CA-NE2 3.46Å; Y233-H287 PolarHBondContact N-NE2 3.35Å; Y233-H287 PolarHBondContact O-CE1 2.95Å; Y233-H287 PolarHBondContact O-NE2 2.94Å; Y233-H287 VanDerWaalsContact O-NE2 3.16Å
234P96.4Very high97.6Very high16 Ų1631.7 Ų31.710%0.10416%0.163CC..SBendcis-69.4-179.4129.2-36.7000113.3D54 F232 H287 E288D54-P234 VanDerWaalsContact OD2-CB 3.26Å; D54-P234 WeakPolarHBondContact OD2-CB 3.17Å; F232-P234 VanDerWaalsContact CD2-O 3.31Å; F232-P234 WeakPolarHBondContact CD2-O 3.21Å; P234-H287 WeakPolarHBondContact CA-NE2 3.49Å; P234-H287 VanDerWaalsContact CD-NE2 3.26Å; P234-H287 WeakPolarHBondContact CD-NE2 3.48Å; P234-H287 PolarHBondContact O-NE2 2.86Å; P234-E288 VanDerWaalsContact CD-OE1 3.24Å; P234-E288 WeakPolarHBondContact CD-OE1 3.43Å; P234-E288 HydrophobicContact CG-CG 4.18Å
235A97.3Very high97.3Very high15 Ų1532.9 Ų32.912%0.12418%0.179CC..SBendtrans-73.5-25.9-176.900000113.9D54 I237 T257 F265D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 WeakPolarHBondContact OD1-CB 3.46Å; D54-A235 WeakPolarHBondContact OD2-CB 3.31Å; D54-A235 PolarHBondContact OD2-N 3.36Å; A235-I237 PolarHBondContact O-N 3.38Å; A235-T257 HydrophobicContact CB-CG2 4.45Å; A235-T257 WeakPolarHBondContact O-CG2 3.48Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.73Å; A235-F265 HydrophobicContact CB-CE2 3.7Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.72Å
236E96.5Very high97.2Very high119 Ų11939.9 Ų39.956%0.55621%0.212SC*.  trans-65.7123.7179.4-168.457.6-145.900109.8W23 H287W23-E236 HydrophobicContact CE3-CG 4.44Å; W23-E236 HydrophobicContact CH2-CB 4.13Å; W23-E236 HydrophobicContact CH2-CG 3.45Å; W23-E236 VanDerWaalsContact CH2-CG 3.45Å; W23-E236 HydrophobicContact CZ2-CG 3.72Å; W23-E236 HydrophobicContact CZ3-CB 4.02Å; W23-E236 HydrophobicContact CZ3-CG 3.82Å; W23-E236 VanDerWaalsContact CZ3-O 3.32Å; W23-E236 WeakPolarHBondContact CZ3-O 3.27Å; E236-H287 PolarHBondContact O-CD2 2.91Å; E236-H287 VanDerWaalsContact O-CD2 3.31Å
237I97.3Very high97Very high8 Ų842.2 Ų42.24%0.04123%0.228CC..  trans-159138.8-175.7-164.7171.3000110.1P209 A229 F232 A235 L239 K267 V285 Q286 H287P209-I237 HydrophobicContact CB-CD1 4.09Å; P209-I237 HydrophobicContact CG-CD1 4.15Å; A229-I237 HydrophobicContact CB-CD1 3.74Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.33Å; F232-I237 HydrophobicContact CD2-CD1 3.92Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.82Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.76Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; A235-I237 PolarHBondContact O-N 3.38Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; I237-V285 HydrophobicContact CD1-CG1 4.11Å; I237-V285 HydrophobicContact CG1-CG1 4.41Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.41Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.1Å
238T97.7Very high96.9Very high49 Ų4943.3 Ų43.330%0.30123%0.233SC..EExtended strand (participates in β ladder)trans-108.3120.8174-64.40000110.4T240 V285 Q286T238-T240 HydrophobicContact CG2-CG2 4.03Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; T238-Q286 PolarHBondContact N-O 2.89Å; T238-Q286 PolarHBondContact O-N 2.85Å
239L97.9Very high96.4Very high7 Ų746 Ų464%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-116125.5170.6-8962.9000108.1A229 I237 L254 K267 A269 H284 V285A229-L239 HydrophobicContact CB-CD1 3.96Å; A229-L239 HydrophobicContact CB-CD2 4.16Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; L239-L254 HydrophobicContact CB-CD1 4.13Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.28Å; L239-K267 HydrophobicContact CD2-CD 4.49Å; L239-K267 HydrophobicContact CD2-CG 4.38Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.36Å; L239-H284 WeakPolarHBondContact CA-O 3.46Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.48Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240T97.6Very high95.9Very high37 Ų3755 Ų5523%0.22730%0.298CS..EExtended strand (participates in β ladder)trans-136.7148179.345.50000110.7T238 C283 H284T238-T240 HydrophobicContact CG2-CG2 4.03Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.13Å; T240-H284 PolarHBondContact N-O 2.99Å; T240-H284 PolarHBondContact O-N 3.41Å; T240-H284 PolarHBondContact OG1-O 3.41Å
241W98.2Very high95.4Very high2 Ų258.1 Ų58.11%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-107.1137.1170.3-83.5105.5000110.1V213 L225 C227 Q248 A269 V271 T282 C283V213-W241 HydrophobicContact CG1-CH2 3.84Å; V213-W241 HydrophobicContact CG1-CZ2 4.26Å; V213-W241 HydrophobicContact CG2-CH2 4.23Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.76Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 3.96Å; L225-W241 HydrophobicContact CD1-CZ3 4.15Å; L225-W241 HydrophobicContact CG-CH2 4.47Å; C227-W241 HydrophobicContact CB-CH2 4.46Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.32Å; W241-Q248 PolarHBondContact O-N 2.9Å; W241-A269 PolarHBondContact NE1-O 2.86Å; W241-V271 HydrophobicContact CB-CG1 3.73Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.41Å; W241-V271 HydrophobicContact CD2-CG2 3.66Å; W241-V271 HydrophobicContact CE3-CG2 4.07Å; W241-V271 HydrophobicContact CG-CB 4.43Å; W241-V271 HydrophobicContact CG-CG1 3.69Å; W241-V271 HydrophobicContact CG-CG2 3.85Å; W241-V271 HydrophobicContact CZ2-CG2 4.29Å; W241-T282 WeakPolarHBondContact CA-O 3.31Å; W241-C283 HydrophobicContact CD2-CB 4.09Å; W241-C283 HydrophobicContact CE3-CB 4.04Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.07Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242Q97.9Very high95.2Very high38 Ų3858.3 Ų58.318%0.17831%0.312CS..EExtended strand (participates in β ladder)trans-123.3142.4172.7-72.4-175.8-9.500110.7E246 D247 Y281 T282 H284Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.31Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.26Å; Q242-D247 PolarHBondContact NE2-OD1 2.82Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; Q242-T282 PolarHBondContact N-O 3.31Å; Q242-T282 PolarHBondContact O-N 2.9Å; Q242-T282 PolarHBondContact O-OG1 3.48Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.45Å; Q242-H284 PolarHBondContact OE1-NE2 3.15Å
243R97.3Very high95.2Very high71 Ų7163.8 Ų63.827%0.26834%0.337SS..EExtended strand (participates in β ladder)trans-112.7118169.2-174.5-171.6-172.4-179.41.6108.2G245 E246 Q248 E277 R280 Y281R243-G245 PolarHBondContact O-N 2.85Å; R243-E246 PolarHBondContact N-O 2.84Å; R243-E246 PolarHBondContact O-N 2.83Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; R243-E277 IonicContact CZ-OE2 3.5Å; R243-E277 IonicContact NE-OE2 2.69Å; R243-E277 IonicContact NH2-OE1 3.51Å; R243-E277 IonicContact NH2-OE2 3.59Å; R243-E277 PolarHBondContact NH2-OE2 2.79Å; R243-R280 WeakPolarHBondContact CA-O 3.12Å; R243-R280 HydrophobicContact CG-CB 4.34Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 WeakPolarHBondContact CD-OH 3.42Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CD2 4.4Å; R243-Y281 HydrophobicContact CG-CE1 4.04Å; R243-Y281 HydrophobicContact CG-CE2 4Å; R243-Y281 PolarHBondContact NE-OH 2.99Å
244D94.9Very high95.1Very high103 Ų10367.8 Ų67.855%0.55136%0.359SS*.THydrogen-bonded Turntrans51.920.5-175.1-54-51.5000115.4R280D244-R280 PolarHBondContact N-O 2.9Å; D244-R280 WeakPolarHBondContact OD1-CB 3.4Å; D244-R280 IonicContact OD1-NE 2.78Å; D244-R280 IonicContact OD2-CZ 3.97Å; D244-R280 IonicContact OD2-NE 3.64Å; D244-R280 PolarHBondContact OD2-NE 2.92Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 3.01Å
245G91.3Very high95.2Very high48 Ų4868.7 Ų68.750%0.49536%0.364SS..THydrogen-bonded Turntrans100.7-1.8-176.800000115.6R243R243-G245 PolarHBondContact O-N 2.85Å
246E95.3Very high95.1Very high147 Ų14776.3 Ų76.369%0.68740%0.397SS*.EExtended strand (participates in β ladder)trans-98.1127.4176-62-172.2164.900111.6Q242 R243 Q248Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.31Å; R243-E246 PolarHBondContact N-O 2.84Å; R243-E246 PolarHBondContact O-N 2.83Å; E246-Q248 PolarHBondContact O-NE2 3.43Å
247D95.1Very high95.2Very high96 Ų9672.8 Ų72.851%0.51338%0.383SS..EExtended strand (participates in β ladder)trans-63132.1-178.6-66-33000112.3Q242Q242-D247 WeakPolarHBondContact CG-OD1 3.26Å; Q242-D247 PolarHBondContact NE2-OD1 2.82Å
248Q94.9Very high95.2Very high24 Ų2477 Ų7711%0.11240%0.399CS..  trans-101.935.1-175.9-55.4-63.3-84.600112.2W241 R243 E246 Q250 D251 T252 V271 Y281W241-Q248 HydrophobicContact CB-CB 4.32Å; W241-Q248 PolarHBondContact O-N 2.9Å; R243-Q248 HydrophobicContact CB-CG 3.95Å; E246-Q248 PolarHBondContact O-NE2 3.43Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.49Å; Q248-D251 PolarHBondContact O-N 2.93Å; Q248-D251 VanDerWaalsContact O-N 3.15Å; Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 3.04Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.84Å; Q248-V271 HydrophobicContact CB-CG1 4.39Å; Q248-Y281 HydrophobicContact CG-CE1 4.31Å
249T88.4Confident95.2Very high108 Ų10879 Ų7966%0.66341%0.412SS*.THydrogen-bonded Turntrans-59.7-31.6-166.7-47.50000114.5
250Q88.8Confident95.1Very high191 Ų19181.1 Ų81.189%0.89343%0.431SS*.THydrogen-bonded Turntrans-78.3-32.2179.5-64.5-173.74.900112.8Q248Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.49Å
251D87.1Confident94.9Very high118 Ų11882.9 Ų82.963%0.63146%0.457SS*.THydrogen-bonded Turntrans-93.73.7-178.8-52.3-66.2000112.7Q248Q248-D251 PolarHBondContact O-N 2.93Å; Q248-D251 VanDerWaalsContact O-N 3.15Å
252T94.6Very high94.7Very high24 Ų2487.9 Ų87.915%0.14748%0.484CS..EExtended strand (participates in β ladder)trans-96.3117.3179.5-61.60000111.4Q248 L254 A269 A270 V271Q248-T252 WeakPolarHBondContact O-CB 3.47Å; Q248-T252 PolarHBondContact O-N 3.04Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.84Å; T252-L254 HydrophobicContact CG2-CB 4.35Å; T252-L254 PolarHBondContact O-N 3.16Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å; T252-V271 HydrophobicContact CG2-CG1 4.42Å; T252-V271 VanDerWaalsContact OG1-CG1 3.3Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.08Å
253E96.7Very high94.4Very high115 Ų11589.1 Ų89.154%0.53749%0.487SS..EExtended strand (participates in β ladder)trans-73.4102.6163-173.9-172.1-163.300109.1W268 A269 A270E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.98Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 VanDerWaalsContact OE2-CH2 3.27Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.25Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.45Å; E253-A269 CarbonylContact O-C 3.54Å; E253-A269 WeakPolarHBondContact O-CA 3.29Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.32Å; E253-A270 PolarHBondContact O-N 3.48Å
254L96.8Very high94.4Very high88 Ų8886.5 Ų86.546%0.46148%0.478SS..EExtended strand (participates in β ladder)trans-108.9118178.2-174.969.7000110.3L239 T252 K267 A269L239-L254 HydrophobicContact CB-CD1 4.13Å; T252-L254 HydrophobicContact CG2-CB 4.35Å; T252-L254 PolarHBondContact O-N 3.16Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255V96.6Very high94.6Very high35 Ų3582.8 Ų82.821%0.21246%0.458CS..PPolyproline II helixtrans-82.5153.2175.6-64.10000112.6K267 W268V255-K267 HydrophobicContact CG2-CG 4.48Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.25Å; V255-K267 PolarHBondContact O-NZ 3.21Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 VanDerWaalsContact CG1-CE2 3.48Å; V255-W268 HydrophobicContact CG1-CE3 4.34Å; V255-W268 HydrophobicContact CG1-CH2 3.72Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.18Å; V255-W268 HydrophobicContact CG2-CD2 3.84Å; V255-W268 HydrophobicContact CG2-CG 3.79Å; V255-W268 WeakPolarHBondContact CG2-O 3.44Å; V255-W268 PolarHBondContact N-O 3.22Å
256E96.9Very high94.9Very high174 Ų17482.6 Ų82.681%0.81344%0.444SS*.PPolyproline II helixtrans-55.3148.1166.1-67.7-174.1166.800111.3R258E256-R258 PolarHBondContact O-N 2.75Å
257T98Very high95.1Very high45 Ų4576.6 Ų76.628%0.27642%0.415SS..PPolyproline II helixtrans-71.1128175.2-54.80000108.5F232 A235 F265 K267F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; A235-T257 HydrophobicContact CB-CG2 4.45Å; A235-T257 WeakPolarHBondContact O-CG2 3.48Å; T257-F265 HydrophobicContact CG2-CB 3.83Å; T257-F265 HydrophobicContact CG2-CD1 3.99Å; T257-F265 HydrophobicContact CG2-CG 4.21Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 3.24Å
258R97.6Very high95.2Very high97 Ų9773.2 Ų73.237%0.36640%0.395SS..EExtended strand (participates in β ladder)trans-123.7144.2-174.570.3-165.8-176.9-164.91.1111.3E256 Q266E256-R258 PolarHBondContact O-N 2.75Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.05Å; R258-Q266 VanDerWaalsContact O-CG 3.31Å; R258-Q266 WeakPolarHBondContact O-CG 3.37Å; R258-Q266 PolarHBondContact O-N 3.14Å
259P97.3Very high95.4Very high90 Ų9072 Ų7258%0.58439%0.39SS*.EExtended strand (participates in β ladder)trans-67.3149177.628.4-34.8000111.3F265 Q266P259-F265 HydrophobicContact CB-CD1 4.38Å; P259-F265 HydrophobicContact CB-CE1 4.12Å; P259-Q266 PolarHBondContact O-NE2 3.44Å
260A96.6Very high95.8Very high52 Ų5267 Ų6743%0.4336%0.359SS..  trans-90.4-17.7169.700000112.6D262 T264 Q266A260-D262 WeakPolarHBondContact CB-OD1 2.99Å; A260-T264 WeakPolarHBondContact CB-O 3.45Å; A260-T264 PolarHBondContact N-O 2.7Å; A260-Q266 HydrophobicContact CB-CG 4.49Å
261G93.1Very high96.3Very high74 Ų7458 Ų5876%0.76332%0.318SS*.SBendtrans97.8-7.6179.100000114.7
262D92.7Very high96.8Very high108 Ų10856 Ų5658%0.57831%0.309SS*.SBendtrans-110.633.4-179.364.7-5.6000112.2A260 T264A260-D262 WeakPolarHBondContact CB-OD1 2.99Å; D262-T264 PolarHBondContact O-N 3.31Å; D262-T264 WeakPolarHBondContact OD1-CB 3.49Å; D262-T264 PolarHBondContact OD1-N 3.2Å; D262-T264 PolarHBondContact OD1-OG1 2.76Å
263R92.5Very high96.9Very high63 Ų6354.9 Ų54.924%0.23830%0.303CS..SBendtrans69.4-21.2-165.4176.4-177.8170-122.6-7.1115.1T55 T202 R205 D207 Y233 F265T55-R263 PolarHBondContact OG1-NE 2.97Å; T202-R263 VanDerWaalsContact C-NH2 3.29Å; T202-R263 PolarHBondContact O-NH1 2.82Å; T202-R263 PolarHBondContact O-NH2 3.31Å; R205-R263 PolarHBondContact O-NH2 3.2Å; D207-R263 IonicContact OD2-NH1 3.58Å; Y233-R263 HydrophobicContact CD2-CG 3.75Å; Y233-R263 HydrophobicContact CE2-CG 3.99Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.33Å; R263-F265 WeakPolarHBondContact O-CE2 3.17Å
264T97.3Very high96.9Very high16 Ų1651.6 Ų51.610%0.09829%0.291CS..  trans-84.4167.8-178.477.50000113.5G231 F232 A260 D262G231-T264 WeakPolarHBondContact CA-OG1 3.43Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.28Å; F232-T264 WeakPolarHBondContact O-CB 3.28Å; A260-T264 WeakPolarHBondContact CB-O 3.45Å; A260-T264 PolarHBondContact N-O 2.7Å; D262-T264 PolarHBondContact O-N 3.31Å; D262-T264 WeakPolarHBondContact OD1-CB 3.49Å; D262-T264 PolarHBondContact OD1-N 3.2Å; D262-T264 PolarHBondContact OD1-OG1 2.76Å
265F98.4Very high96.7Very high26 Ų2650.1 Ų50.111%0.11429%0.288CS..EExtended strand (participates in β ladder)trans-118.8164.3-179.8-66.2-87.1000112.2D54 G231 F232 Y233 A235 T257 P259 R263D54-F265 HydrophobicContact CB-CE2 3.71Å; D54-F265 HydrophobicContact CB-CZ 3.76Å; G231-F265 PolarHBondContact N-O 3.27Å; F232-F265 WeakPolarHBondContact CD1-O 3.33Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.32Å; F232-F265 WeakPolarHBondContact CE1-O 3.39Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.7Å; F232-F265 PolarHBondContact N-O 3.37Å; F232-F265 PolarHBondContact O-N 2.93Å; Y233-F265 HydrophobicContact CD2-CE2 4.2Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.73Å; A235-F265 HydrophobicContact CB-CE2 3.7Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.72Å; T257-F265 HydrophobicContact CG2-CB 3.83Å; T257-F265 HydrophobicContact CG2-CD1 3.99Å; T257-F265 HydrophobicContact CG2-CG 4.21Å; P259-F265 HydrophobicContact CB-CD1 4.38Å; P259-F265 HydrophobicContact CB-CE1 4.12Å; R263-F265 WeakPolarHBondContact O-CE2 3.17Å
266Q98.4Very high96.5Very high43 Ų4351.6 Ų51.620%0.20131%0.311CS..EExtended strand (participates in β ladder)trans-143.3143.7176.338.9162.3-22.600110.1A229 L230 R258 P259 A260A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 2.97Å; L230-Q266 HydrophobicContact CD2-CB 3.58Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.05Å; R258-Q266 VanDerWaalsContact O-CG 3.31Å; R258-Q266 WeakPolarHBondContact O-CG 3.37Å; R258-Q266 PolarHBondContact O-N 3.14Å; P259-Q266 PolarHBondContact O-NE2 3.44Å; A260-Q266 HydrophobicContact CB-CG 4.49Å
267K98.6Very high96.4Very high22 Ų2245.8 Ų45.810%0.09628%0.283CS..EExtended strand (participates in β ladder)trans-148.8156.3177.1-161.1-175.9-169.365.70108.9A229 F232 I237 L239 L254 V255 T257A229-K267 PolarHBondContact N-O 3.09Å; A229-K267 PolarHBondContact O-N 3.43Å; A229-K267 VanDerWaalsContact O-O 3.06Å; F232-K267 HydrophobicContact CE1-CB 4.43Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; L239-K267 HydrophobicContact CD1-CD 4.32Å; L239-K267 HydrophobicContact CD2-CB 4.28Å; L239-K267 HydrophobicContact CD2-CD 4.49Å; L239-K267 HydrophobicContact CD2-CG 4.38Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; V255-K267 HydrophobicContact CG2-CG 4.48Å; V255-K267 WeakPolarHBondContact O-CE 3.41Å; V255-K267 WeakPolarHBondContact O-CG 3.25Å; V255-K267 PolarHBondContact O-NZ 3.21Å; T257-K267 WeakPolarHBondContact OG1-CD 3.44Å; T257-K267 PolarHBondContact OG1-NZ 3.24Å
268W98.4Very high96.3Very high24 Ų2444.6 Ų44.69%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-144.9157.3167.757.9-96.9000111.7R226 C227 W228 E253 V255 A270R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.8Å; R226-W268 HydrophobicContact CG-CG 4.16Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.33Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.43Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.79Å; W228-W268 HydrophobicContact CE3-CG 4.15Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.7Å; W228-W268 HydrophobicContact CH2-CG 4.35Å; W228-W268 HydrophobicContact CZ3-CB 4.38Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.28Å; E253-W268 HydrophobicContact CG-CH2 3.98Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 VanDerWaalsContact OE2-CH2 3.27Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.25Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.45Å; V255-W268 HydrophobicContact CG1-CD2 4.04Å; V255-W268 VanDerWaalsContact CG1-CE2 3.48Å; V255-W268 HydrophobicContact CG1-CE3 4.34Å; V255-W268 HydrophobicContact CG1-CH2 3.72Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.18Å; V255-W268 HydrophobicContact CG2-CD2 3.84Å; V255-W268 HydrophobicContact CG2-CG 3.79Å; V255-W268 WeakPolarHBondContact CG2-O 3.44Å; V255-W268 PolarHBondContact N-O 3.22Å; W268-A270 HydrophobicContact CE3-CB 3.9Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269A98.3Very high96.2Very high0 Ų044 Ų440%028%0.276CS..EExtended strand (participates in β ladder)trans-128.5131.7173.700000108.2C227 L239 W241 T252 E253 L254C227-A269 PolarHBondContact N-O 2.79Å; C227-A269 PolarHBondContact O-N 3.2Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.36Å; W241-A269 PolarHBondContact NE1-O 2.86Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.54Å; E253-A269 WeakPolarHBondContact O-CA 3.29Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270A98.1Very high96.2Very high2 Ų244.4 Ų44.42%0.01727%0.266CS..EExtended strand (participates in β ladder)trans-125.4145.4179.200000112.3T224 L225 R226 T252 E253 W268T224-A270 HydrophobicContact CG2-CB 3.81Å; L225-A270 CarbonylContact O-C 3.51Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.32Å; E253-A270 PolarHBondContact O-N 3.48Å; W268-A270 HydrophobicContact CE3-CB 3.9Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271V98Very high96.2Very high3 Ų342.3 Ų42.32%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-131145.4173.9-74.20000109.5T224 L225 W241 Q248 T252 V273 Y281T224-V271 WeakPolarHBondContact CA-O 3.27Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.43Å; L225-V271 PolarHBondContact O-N 3.14Å; W241-V271 HydrophobicContact CB-CG1 3.73Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.41Å; W241-V271 HydrophobicContact CD2-CG2 3.66Å; W241-V271 HydrophobicContact CE3-CG2 4.07Å; W241-V271 HydrophobicContact CG-CB 4.43Å; W241-V271 HydrophobicContact CG-CG1 3.69Å; W241-V271 HydrophobicContact CG-CG2 3.85Å; W241-V271 HydrophobicContact CZ2-CG2 4.29Å; Q248-V271 HydrophobicContact CB-CG1 4.39Å; T252-V271 HydrophobicContact CG2-CG1 4.42Å; T252-V271 VanDerWaalsContact OG1-CG1 3.3Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.08Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V271-Y281 HydrophobicContact CG2-CD1 4.05Å; V271-Y281 HydrophobicContact CG2-CE1 4.45Å
272V97.7Very high96.5Very high75 Ų7539.3 Ų39.346%0.45521%0.214SC..EExtended strand (participates in β ladder)trans-84.6130.9166.2-178.40000108I218 E222 A223I218-V272 HydrophobicContact CD1-CG1 3.94Å; I218-V272 HydrophobicContact CD1-CG2 4.01Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; A223-V272 WeakPolarHBondContact O-CA 3.42Å
273V96.8Very high96.7Very high1 Ų134.2 Ų34.21%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-129.5145.4-177.1-50.60000110.3E222 A223 L225 V271 E278 Y281E222-V273 WeakPolarHBondContact CA-O 3.41Å; A223-V273 PolarHBondContact N-O 2.95Å; A223-V273 PolarHBondContact O-N 3.21Å; L225-V273 HydrophobicContact CD1-CG1 4.01Å; L225-V273 HydrophobicContact CD1-CG2 4.13Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.88Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.68Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274P96.6Very high97Very high45 Ų4533.6 Ų33.629%0.29219%0.186SC..EExtended strand (participates in β ladder)trans-64.1142171.4-19.832.1000111.7H221 G276 E277H221-P274 WeakPolarHBondContact O-CA 3.35Å; P274-G276 PolarHBondContact O-N 3.03Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.43Å; P274-E277 WeakPolarHBondContact O-CB 3.29Å; P274-E277 PolarHBondContact O-N 3.43Å
275S93.2Very high97Very high58 Ų5832.8 Ų32.841%0.40618%0.181SC..THydrogen-bonded Turntrans-54.8126174.8-630000111.4D220 H221 E222D220-S275 WeakPolarHBondContact O-CB 3.45Å; D220-S275 PolarHBondContact O-OG 3.36Å; H221-S275 WeakPolarHBondContact CA-OG 3.19Å; H221-S275 PolarHBondContact O-N 3Å; H221-S275 PolarHBondContact O-OG 3.17Å; E222-S275 PolarHBondContact N-OG 2.85Å
276G92.2Very high97Very high66 Ų6635 Ų3568%0.6819%0.192SC*.THydrogen-bonded Turntrans86.9-4.5-177.700000115.1P274 E278P274-G276 PolarHBondContact O-N 3.03Å; G276-E278 WeakPolarHBondContact CA-OE2 3.46Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 3.25Å; G276-E278 VanDerWaalsContact N-OE2 3.16Å
277E95.7Very high96.9Very high51 Ų5133.5 Ų33.524%0.23819%0.185CC..  trans-97.50.6174.7-69.8-155.8-153.600113.9R243 P274 Q279 R280 Y281R243-E277 IonicContact CZ-OE2 3.5Å; R243-E277 IonicContact NE-OE2 2.69Å; R243-E277 IonicContact NH2-OE1 3.51Å; R243-E277 IonicContact NH2-OE2 3.59Å; R243-E277 PolarHBondContact NH2-OE2 2.79Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.43Å; P274-E277 WeakPolarHBondContact O-CB 3.29Å; P274-E277 PolarHBondContact O-N 3.43Å; E277-Q279 PolarHBondContact O-N 2.88Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 VanDerWaalsContact O-CB 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 IonicContact OE1-NH1 3.56Å; E277-R280 WeakPolarHBondContact OE2-CD 3.45Å; E277-R280 IonicContact OE2-CZ 3.12Å; E277-R280 IonicContact OE2-NE 3.37Å; E277-R280 IonicContact OE2-NH1 3.53Å; E277-R280 PolarHBondContact OE2-NH1 3.07Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.36Å
278E95.2Very high96.7Very high21 Ų2135.8 Ų35.810%0.09820%0.196CC..G310 helixtrans-56.9-31.4-169.3-5380.9-175.800112.9L225 V273 G276 R280 Y281 W298L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; G276-E278 WeakPolarHBondContact CA-OE2 3.46Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 3.25Å; G276-E278 VanDerWaalsContact N-OE2 3.16Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 2.87Å; E278-Y281 PolarHBondContact O-N 3.46Å; E278-W298 HydrophobicContact CB-CD2 4.5Å; E278-W298 HydrophobicContact CB-CE3 3.49Å; E278-W298 VanDerWaalsContact CB-CE3 3.49Å; E278-W298 HydrophobicContact CB-CZ3 3.93Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å
279Q95.4Very high96.5Very high84 Ų8435.7 Ų35.739%0.39320%0.202SC..G310 helixtrans-74.2-14.5179.8-62.5-57.4-44.400114.3E277 Y281 R297 W298E277-Q279 PolarHBondContact O-N 2.88Å; Q279-Y281 VanDerWaalsContact C-N 3.28Å; Q279-R297 PolarHBondContact O-NE 3.04Å; Q279-W298 PolarHBondContact NE2-O 2.98Å
280R96.8Very high96.4Very high99 Ų9936.9 Ų36.937%0.37421%0.208SC..G310 helixtrans-75.5-20.8171-62.3173.868.9175.35.4111.9R243 D244 E277 E278R243-R280 WeakPolarHBondContact CA-O 3.12Å; R243-R280 HydrophobicContact CG-CB 4.34Å; D244-R280 PolarHBondContact N-O 2.9Å; D244-R280 WeakPolarHBondContact OD1-CB 3.4Å; D244-R280 IonicContact OD1-NE 2.78Å; D244-R280 IonicContact OD2-CZ 3.97Å; D244-R280 IonicContact OD2-NE 3.64Å; D244-R280 PolarHBondContact OD2-NE 2.92Å; D244-R280 IonicContact OD2-NH2 2.65Å; D244-R280 PolarHBondContact OD2-NH2 3.01Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 VanDerWaalsContact O-CB 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 2.87Å; E277-R280 IonicContact OE1-NH1 3.56Å; E277-R280 WeakPolarHBondContact OE2-CD 3.45Å; E277-R280 IonicContact OE2-CZ 3.12Å; E277-R280 IonicContact OE2-NE 3.37Å; E277-R280 IonicContact OE2-NH1 3.53Å; E277-R280 PolarHBondContact OE2-NH1 3.07Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 2.87Å
281Y97.6Very high96.1Very high8 Ų843.1 Ų43.13%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-92.4134.2-177.4-69.1-99.5000111.3Q242 R243 Q248 V271 V273 E277 E278 Q279Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; R243-Y281 HydrophobicContact CB-CD1 4.08Å; R243-Y281 HydrophobicContact CB-CE1 3.88Å; R243-Y281 WeakPolarHBondContact CD-OH 3.42Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CD2 4.4Å; R243-Y281 HydrophobicContact CG-CE1 4.04Å; R243-Y281 HydrophobicContact CG-CE2 4Å; R243-Y281 PolarHBondContact NE-OH 2.99Å; Q248-Y281 HydrophobicContact CG-CE1 4.31Å; V271-Y281 HydrophobicContact CG2-CD1 4.05Å; V271-Y281 HydrophobicContact CG2-CE1 4.45Å; V273-Y281 HydrophobicContact CB-CD2 3.99Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.68Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.36Å; E278-Y281 PolarHBondContact O-N 3.46Å; Q279-Y281 VanDerWaalsContact C-N 3.28Å
282T98Very high96Very high11 Ų1150.9 Ų50.97%0.06728%0.282CS..EExtended strand (participates in β ladder)trans-129.9130.617745.10000110.2W241 Q242 H284 T295 L296 R297W241-T282 WeakPolarHBondContact CA-O 3.31Å; Q242-T282 PolarHBondContact N-O 3.31Å; Q242-T282 PolarHBondContact O-N 2.9Å; Q242-T282 PolarHBondContact O-OG1 3.48Å; T282-H284 VanDerWaalsContact CB-NE2 3.33Å; T282-H284 WeakPolarHBondContact CB-NE2 3.48Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; T282-R297 HydrophobicContact CG2-CG 3.69Å
283C98.2Very high95.9Very high0 Ų050.6 Ų50.60%028%0.282CS..EExtended strand (participates in β ladder)trans-91.2131.6169.7174.10000109.4C227 T240 W241 T295 L296C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.3Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 2.88Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.13Å; W241-C283 HydrophobicContact CD2-CB 4.09Å; W241-C283 HydrophobicContact CE3-CB 4.04Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.07Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 2.83Å; C283-L296 PolarHBondContact O-N 3.16Å
284H98Very high95.9Very high50 Ų5053.4 Ų53.423%0.23130%0.297CS..EExtended strand (participates in β ladder)trans-112.8130.4176.4-62.8-103.9000110L239 T240 Q242 T282 L294 T295L239-H284 WeakPolarHBondContact CA-O 3.46Å; T240-H284 PolarHBondContact N-O 2.99Å; T240-H284 PolarHBondContact O-N 3.41Å; T240-H284 PolarHBondContact OG1-O 3.41Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.45Å; Q242-H284 PolarHBondContact OE1-NE2 3.15Å; T282-H284 VanDerWaalsContact CB-NE2 3.33Å; T282-H284 WeakPolarHBondContact CB-NE2 3.48Å; T282-H284 PolarHBondContact OG1-NE2 3.33Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; H284-T295 PolarHBondContact CE1-OG1 3.15Å; H284-T295 VanDerWaalsContact CE1-OG1 3.3Å; H284-T295 PolarHBondContact ND1-OG1 3.43Å
285V98.3Very high95.9Very high0 Ų055 Ų550%031%0.306CS..EExtended strand (participates in β ladder)trans-123.6123.6-176.1-174.80000109.7P209 T211 I237 T238 L239 L290 P293 L294 L296P209-V285 HydrophobicContact CG-CG1 4.01Å; T211-V285 HydrophobicContact CG2-CB 4.43Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; I237-V285 HydrophobicContact CD1-CG1 4.11Å; I237-V285 HydrophobicContact CG1-CG1 4.41Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; L239-V285 HydrophobicContact CD1-CG1 4.03Å; L239-V285 HydrophobicContact CD1-CG2 4.48Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.14Å; V285-P293 WeakPolarHBondContact O-CA 3.21Å; V285-L294 HydrophobicContact CB-CB 4.38Å; V285-L294 PolarHBondContact N-O 3.06Å; V285-L294 PolarHBondContact O-N 3.49Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
286Q97.8Very high96.1Very high73 Ų7354 Ų5434%0.34130%0.295SS..EExtended strand (participates in β ladder)trans-122.1132.4175.2-47.2-175.914.500109.9I237 T238 P293I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.41Å; T238-Q286 PolarHBondContact N-O 2.89Å; T238-Q286 PolarHBondContact O-N 2.85Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
287H96.6Very high96.3Very high10 Ų1057.4 Ų57.45%0.04629%0.288CS..  trans-162.3145.1-175.7-176.9-99.7000108.3D207 P209 F232 Y233 P234 E236 I237 G289 L290D207-H287 PolarHBondContact O-CE1 3.14Å; P209-H287 HydrophobicContact CG-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.87Å; F232-H287 AromaticContact CD2-NE2 3.51Å; Y233-H287 WeakPolarHBondContact CA-NE2 3.46Å; Y233-H287 PolarHBondContact N-NE2 3.35Å; Y233-H287 PolarHBondContact O-CE1 2.95Å; Y233-H287 PolarHBondContact O-NE2 2.94Å; Y233-H287 VanDerWaalsContact O-NE2 3.16Å; P234-H287 WeakPolarHBondContact CA-NE2 3.49Å; P234-H287 VanDerWaalsContact CD-NE2 3.26Å; P234-H287 WeakPolarHBondContact CD-NE2 3.48Å; P234-H287 PolarHBondContact O-NE2 2.86Å; E236-H287 PolarHBondContact O-CD2 2.91Å; E236-H287 VanDerWaalsContact O-CD2 3.31Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.1Å; H287-G289 PolarHBondContact ND1-N 3.04Å; H287-G289 PolarHBondContact O-N 3.08Å; H287-L290 HydrophobicContact CB-CD1 4.01Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.45Å; H287-L290 PolarHBondContact O-N 2.9Å
288E94.1Very high96.3Very high71 Ų7157.3 Ų57.333%0.33229%0.285SS..THydrogen-bonded Turntrans-62.9-29.5-176.276.5175-163.300113.6W23 A206 P234 L290W23-E288 HydrophobicContact CB-CB 4.28Å; W23-E288 HydrophobicContact CE3-CB 4.14Å; A206-E288 HydrophobicContact CB-CG 3.67Å; A206-E288 WeakPolarHBondContact CB-OE1 3.46Å; P234-E288 VanDerWaalsContact CD-OE1 3.24Å; P234-E288 WeakPolarHBondContact CD-OE1 3.43Å; P234-E288 HydrophobicContact CG-CG 4.18Å; E288-L290 PolarHBondContact O-N 3.01Å
289G94.1Very high96.1Very high21 Ų2164.3 Ų64.322%0.21632%0.318CS..THydrogen-bonded Turntrans-68.7-10.4177.200000113.3H287H287-G289 PolarHBondContact ND1-N 3.04Å; H287-G289 PolarHBondContact O-N 3.08Å
290L95.6Very high95.5Very high25 Ų2564.1 Ų64.113%0.13132%0.324CS..SBendtrans-96.4120.4175.7-62.4172.7000110.2P208 P209 V285 H287 E288 K292 L294P208-L290 HydrophobicContact CB-CD2 3.97Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.3Å; P209-L290 HydrophobicContact CG-CG 4.13Å; V285-L290 HydrophobicContact CG1-CD1 4.14Å; H287-L290 HydrophobicContact CB-CD1 4.01Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.45Å; H287-L290 PolarHBondContact O-N 2.9Å; E288-L290 PolarHBondContact O-N 3.01Å; L290-K292 WeakPolarHBondContact CB-O 3.16Å; L290-K292 PolarHBondContact O-N 3.06Å; L290-K292 VanDerWaalsContact O-N 3.11Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.93Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 4Å
291P93.4Very high93.9Very high133 Ų13364.4 Ų64.486%0.86434%0.341SS*.SBendtrans-67.2-15.8178.828.7-36000113.2
292K94Very high91.6Very high166 Ų16669.4 Ų69.472%0.72238%0.378SS*.SBendtrans-149.9149170.9-63.6-173.8-178.6177.90108.8L290L290-K292 WeakPolarHBondContact CB-O 3.16Å; L290-K292 PolarHBondContact O-N 3.06Å; L290-K292 VanDerWaalsContact O-N 3.11Å
293P96Very high89.1Confident69 Ų6977.1 Ų77.145%0.44841%0.413SS..  trans-49.9140169.3-29.137000112.5V285 Q286V285-P293 WeakPolarHBondContact O-CA 3.21Å; Q286-P293 HydrophobicContact CG-CB 4.08Å; Q286-P293 HydrophobicContact CG-CG 4.09Å
294L97.1Very high86.4Confident61 Ų6181.4 Ų81.432%0.31944%0.443SS..EExtended strand (participates in β ladder)trans-91.7139.3172.6-64176.8000109.9T211 H284 V285 L290T211-L294 HydrophobicContact CG2-CD1 4.3Å; H284-L294 CarbonylContact C-O 3.55Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; V285-L294 HydrophobicContact CB-CB 4.38Å; V285-L294 PolarHBondContact N-O 3.06Å; V285-L294 PolarHBondContact O-N 3.49Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.93Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 4Å
295T97.8Very high84Confident79 Ų7984.8 Ų84.849%0.48547%0.467SS..EExtended strand (participates in β ladder)trans-117.8123.1169.1-55.30000108.6T282 C283 H284T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; H284-T295 PolarHBondContact CE1-OG1 3.15Å; H284-T295 VanDerWaalsContact CE1-OG1 3.3Å; H284-T295 PolarHBondContact ND1-OG1 3.43Å
296L97.1Very high81.8Confident35 Ų3589.5 Ų89.518%0.18349%0.491CS..EExtended strand (participates in β ladder)trans-120144.2-172.8-60.4156.4000109.7T211 V213 T282 C283 V285T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.19Å; V213-L296 HydrophobicContact CG2-CB 4.01Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 2.83Å; C283-L296 PolarHBondContact O-N 3.16Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
297R96.2Very high79.8Confident139 Ų13990 Ų9053%0.52550%0.501SS..  trans-116.7164.8165.9-71.3-172.8172.4162.4-2.1109.3Q279 T282 E299Q279-R297 PolarHBondContact O-NE 3.04Å; T282-R297 HydrophobicContact CG2-CG 3.69Å; R297-E299 PolarHBondContact O-N 3.32Å
298W95.9Very high78.1Confident48 Ų4895.2 Ų95.218%0.18253%0.528CS..PPolyproline II helixtrans-69.8120.7163.6171.656.4000109.6V213 H215 L225 E278 Q279 P300V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.06Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4.02Å; H215-W298 VanDerWaalsContact CB-NE1 3.32Å; H215-W298 AromaticContact CG-CE2 3.8Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.98Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 4Å; E278-W298 HydrophobicContact CB-CD2 4.5Å; E278-W298 HydrophobicContact CB-CE3 3.49Å; E278-W298 VanDerWaalsContact CB-CE3 3.49Å; E278-W298 HydrophobicContact CB-CZ3 3.93Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å; Q279-W298 PolarHBondContact NE2-O 2.98Å; W298-P300 HydrophobicContact CD2-CG 4.46Å; W298-P300 HydrophobicContact CE3-CG 4.23Å; W298-P300 HydrophobicContact CH2-CB 4.1Å; W298-P300 HydrophobicContact CH2-CG 3.85Å; W298-P300 HydrophobicContact CZ2-CB 3.93Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 3.95Å
299E89.9Confident76.6Confident168 Ų16897.7 Ų97.779%0.78555%0.548SS*.PPolyproline II helixtrans-95.3119166.9-67.9-176169.900108.3R297 S301R297-E299 PolarHBondContact O-N 3.32Å; E299-S301 PolarHBondContact O-N 3.17Å; E299-S301 VanDerWaalsContact O-N 3.11Å
300P82.4Confident75.3Confident81 Ų8198.8 Ų98.853%0.52656%0.558SS.*PPolyproline II helixtrans-56.9120170.4-21.331.9000108.4W298 S302W298-P300 HydrophobicContact CD2-CG 4.46Å; W298-P300 HydrophobicContact CE3-CG 4.23Å; W298-P300 HydrophobicContact CH2-CB 4.1Å; W298-P300 HydrophobicContact CH2-CG 3.85Å; W298-P300 HydrophobicContact CZ2-CB 3.93Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 3.95Å; P300-S302 PolarHBondContact O-N 2.9Å
301S64.3Low74.2Confident104 Ų104102.1 Ų102.173%0.72758%0.575SS**  trans-56.3111.4-174550000109.7E299 Q303E299-S301 PolarHBondContact O-N 3.17Å; E299-S301 VanDerWaalsContact O-N 3.11Å; S301-Q303 PolarHBondContact O-N 3.39Å
302S48.8Very low73.4Confident114 Ų114100 Ų10080%0.79756%0.56SS**  trans-7176.4169.964.60000108.5P300 S304P300-S302 PolarHBondContact O-N 2.9Å; S302-S304 PolarHBondContact O-N 2.99Å
303Q45.5Very low72.6Confident172 Ų17294.6 Ų94.680%0.80455%0.546SS*.  trans-59.485.2146.6-78.5-169.2-12.600105.6S301 T305S301-Q303 PolarHBondContact O-N 3.39Å; Q303-T305 PolarHBondContact O-N 3.4Å
304S41.4Very low71.9Confident90 Ų9093 Ų9363%0.62954%0.542SS*.  trans-61.995.5164.5-172.60000104.9S302 I306S302-S304 PolarHBondContact O-N 2.99Å; S304-I306 PolarHBondContact O-N 3.15Å; S304-I306 WeakPolarHBondContact OG-CG1 3.37Å
305T47.8Very low71.4Confident121 Ų12195.3 Ų95.374%0.74256%0.555SS**  trans-67.969.1160.5-49.80000106.2Q303 P307Q303-T305 PolarHBondContact O-N 3.4Å; T305-P307 WeakPolarHBondContact O-CD 3.38Å; T305-P307 VanDerWaalsContact O-N 3.09Å
306I52.4Low70.7Confident99 Ų9994.1 Ų94.151%0.50855%0.553SS.*  trans-46.8120.8156.8-61.1178.5000103.4S304 I308 I311S304-I306 PolarHBondContact O-N 3.15Å; S304-I306 WeakPolarHBondContact OG-CG1 3.37Å; I306-I308 HydrophobicContact CG2-CG1 4.44Å; I306-I308 PolarHBondContact O-N 3.44Å; I306-I311 HydrophobicContact CG2-CD1 4.1Å
307P56.5Low70.2Confident84 Ų8497 Ų9755%0.54557%0.572SS.*  trans-75.175.5-174.129.7-34.5000108.3T305 V309 G310 I311T305-P307 WeakPolarHBondContact O-CD 3.38Å; T305-P307 VanDerWaalsContact O-N 3.09Å; P307-V309 PolarHBondContact O-N 2.94Å; P307-G310 WeakPolarHBondContact O-CA 3.35Å; P307-G310 PolarHBondContact O-N 2.87Å; P307-I311 PolarHBondContact O-N 2.86Å
308I60.6Low69.8Low119 Ų11995.6 Ų95.661%0.6157%0.574SS**Hα-helixtrans-54.7-38.5176-66166.1000108.5I306 G310 I311 V312I306-I308 HydrophobicContact CG2-CG1 4.44Å; I306-I308 PolarHBondContact O-N 3.44Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.4Å; I308-I311 PolarHBondContact O-N 3.13Å; I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.33Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.42Å; I308-V312 PolarHBondContact O-N 3.11Å
309V60.9Low69.2Low124 Ų12495.7 Ų95.775%0.75259%0.585SS**Hα-helixtrans-57.2-43170.9-177.70000112.3P307 A313P307-V309 PolarHBondContact O-N 2.94Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 3.48Å
310G66.9Low69.1Low43 Ų4392.7 Ų92.744%0.44358%0.578SS.*Hα-helixtrans-69-39.4178.100000113.2P307 I308 G314P307-G310 WeakPolarHBondContact O-CA 3.35Å; P307-G310 PolarHBondContact O-N 2.87Å; I308-G310 VanDerWaalsContact C-N 3.35Å; I308-G310 PolarHBondContact O-N 3.4Å; G310-G314 PolarHBondContact O-N 3.27Å
311I73.4Confident69.3Low95 Ų9593.2 Ų93.249%0.48758%0.58SS.*Hα-helixtrans-67-46175.6-62.1172.4000110.3I306 P307 I308 G314 L315I306-I311 HydrophobicContact CG2-CD1 4.1Å; P307-I311 PolarHBondContact O-N 2.86Å; I308-I311 PolarHBondContact O-N 3.13Å; I311-G314 PolarHBondContact O-N 3.37Å; I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 2.88Å
312V76.5Confident70.3Confident88 Ų8892.3 Ų92.353%0.53357%0.569SS.*Hα-helixtrans-63.7-43.2177.7170.80000111.3I308 L315 A316I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.33Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.42Å; I308-V312 PolarHBondContact O-N 3.11Å; V312-L315 PolarHBondContact O-N 3.41Å; V312-A316 WeakPolarHBondContact O-CB 3.45Å; V312-A316 PolarHBondContact O-N 2.93Å
313A77.5Confident72Confident53 Ų5392 Ų9244%0.43856%0.558SS.*Hα-helixtrans-62.7-4417500000112V309 A316 V317V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 3.48Å; A313-A316 PolarHBondContact O-N 2.69Å; A313-V317 WeakPolarHBondContact O-CG2 3.35Å; A313-V317 PolarHBondContact O-N 3.23Å
314G82Confident73.9Confident36 Ų3685.8 Ų85.837%0.37154%0.539SS..Hα-helixtrans-60.8-44.3176.400000113G310 I311 V317 L318G310-G314 PolarHBondContact O-N 3.27Å; I311-G314 PolarHBondContact O-N 3.37Å; G314-V317 PolarHBondContact O-N 3.22Å; G314-L318 WeakPolarHBondContact O-CB 3.42Å; G314-L318 PolarHBondContact O-N 2.91Å
315L85.3Confident75.9Confident110 Ų11084.1 Ų84.158%0.57653%0.531SS*.Hα-helixtrans-65.6-39.8176.1-72.1171.3000112.4I311 V312 L318 A319I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 2.88Å; V312-L315 PolarHBondContact O-N 3.41Å; L315-L318 PolarHBondContact O-N 2.8Å; L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 2.93Å
316A84.4Confident77.5Confident54 Ų5482.2 Ų82.245%0.44652%0.519SS..Hα-helixtrans-63.5-44.1176.400000112V312 A313 A319 V320V312-A316 WeakPolarHBondContact O-CB 3.45Å; V312-A316 PolarHBondContact O-N 2.93Å; A313-A316 PolarHBondContact O-N 2.69Å; A316-A319 PolarHBondContact O-N 3.29Å; A316-V320 WeakPolarHBondContact O-CG2 3.21Å; A316-V320 PolarHBondContact O-N 3.07Å; A316-V320 VanDerWaalsContact O-N 3.07Å
317V86.2Confident78.9Confident95 Ų9581.1 Ų81.158%0.57652%0.517SS*.Hα-helixtrans-62.6-44.7175.4172.10000111A313 G314 A319 V320 V321A313-V317 WeakPolarHBondContact O-CG2 3.35Å; A313-V317 PolarHBondContact O-N 3.23Å; G314-V317 PolarHBondContact O-N 3.22Å; V317-A319 PolarHBondContact O-N 3Å; V317-V320 PolarHBondContact O-N 2.97Å; V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.4Å; V317-V321 PolarHBondContact O-N 3.42Å
318L86.4Confident79.9Confident109 Ų10979.7 Ų79.757%0.57151%0.512SS*.Hα-helixtrans-58-45.3175.3-99.8162.7000112.4G314 L315 V320 V321 V322G314-L318 WeakPolarHBondContact O-CB 3.42Å; G314-L318 PolarHBondContact O-N 2.91Å; L315-L318 PolarHBondContact O-N 2.8Å; L318-V320 PolarHBondContact O-N 3.25Å; L318-V321 PolarHBondContact O-N 3.25Å; L318-V322 WeakPolarHBondContact O-CG2 3.42Å; L318-V322 PolarHBondContact O-N 2.89Å
319A85Confident80.6Confident50 Ų5078 Ų7841%0.41351%0.507SS..Hα-helixtrans-60.8-44.4177.700000112L315 A316 V317 V321 V322 I323L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 2.93Å; A316-A319 PolarHBondContact O-N 3.29Å; V317-A319 PolarHBondContact O-N 3Å; A319-V321 PolarHBondContact O-N 3.27Å; A319-V322 PolarHBondContact O-N 2.84Å; A319-I323 WeakPolarHBondContact O-CB 3.4Å; A319-I323 WeakPolarHBondContact O-CD1 3.13Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.39Å; A319-I323 PolarHBondContact O-N 3.26Å
320V86.3Confident81.3Confident105 Ų10575.9 Ų75.964%0.63650%0.495SS*.Hα-helixtrans-62.5-42.6176.8172.40000111.6A316 V317 L318 I323 G324A316-V320 WeakPolarHBondContact O-CG2 3.21Å; A316-V320 PolarHBondContact O-N 3.07Å; A316-V320 VanDerWaalsContact O-N 3.07Å; V317-V320 PolarHBondContact O-N 2.97Å; L318-V320 PolarHBondContact O-N 3.25Å; V320-I323 PolarHBondContact O-N 3.02Å; V320-G324 PolarHBondContact O-N 3.39Å
321V87.6Confident81.5Confident93 Ų9380 Ų8056%0.56450%0.504SS*.Hα-helixtrans-63.7-44.4177.3171.40000111.5V317 L318 A319 G324 A325V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.4Å; V317-V321 PolarHBondContact O-N 3.42Å; L318-V321 PolarHBondContact O-N 3.25Å; A319-V321 PolarHBondContact O-N 3.27Å; V321-G324 PolarHBondContact O-N 3.02Å; V321-A325 WeakPolarHBondContact O-CB 3.23Å; V321-A325 PolarHBondContact O-N 3.37Å
322V85.9Confident81.2Confident84 Ų8479.8 Ų79.851%0.50951%0.51SS..Hα-helixtrans-63.6-45.7177.7171.30000111.1L318 A319 G324 A325 V326L318-V322 WeakPolarHBondContact O-CG2 3.42Å; L318-V322 PolarHBondContact O-N 2.89Å; A319-V322 PolarHBondContact O-N 2.84Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.89Å; V322-A325 PolarHBondContact O-N 2.86Å; V322-V326 HydrophobicContact CG1-CG2 4.5Å; V322-V326 WeakPolarHBondContact O-CG2 3.4Å; V322-V326 PolarHBondContact O-N 2.66Å
323I84.4Confident80.7Confident109 Ų10985 Ų8556%0.55952%0.52SS*.Hα-helixtrans-60.7-44.6176.3-68164.5000110.5A319 V320 A325 V326 V327A319-I323 WeakPolarHBondContact O-CB 3.4Å; A319-I323 WeakPolarHBondContact O-CD1 3.13Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.39Å; A319-I323 PolarHBondContact O-N 3.26Å; V320-I323 PolarHBondContact O-N 3.02Å; I323-A325 PolarHBondContact O-N 3.16Å; I323-V326 PolarHBondContact O-N 3.22Å; I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 WeakPolarHBondContact O-CG2 3.44Å; I323-V327 PolarHBondContact O-N 3.34Å
324G84.6Confident79.8Confident40 Ų4092.3 Ų92.341%0.41254%0.536SS..Hα-helixtrans-58.8-44.217600000113V320 V321 V322 V327 A328V320-G324 PolarHBondContact O-N 3.39Å; V321-G324 PolarHBondContact O-N 3.02Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.89Å; G324-V327 PolarHBondContact O-N 3.44Å; G324-A328 WeakPolarHBondContact O-CB 3.42Å; G324-A328 PolarHBondContact O-N 2.87Å
325A82.6Confident78.4Confident55 Ų5599.9 Ų99.946%0.45556%0.559SS.*Hα-helixtrans-66-39.517700000112.7V321 V322 I323 T329V321-A325 WeakPolarHBondContact O-CB 3.23Å; V321-A325 PolarHBondContact O-N 3.37Å; V322-A325 PolarHBondContact O-N 2.86Å; I323-A325 PolarHBondContact O-N 3.16Å; A325-T329 WeakPolarHBondContact O-CB 3.13Å; A325-T329 WeakPolarHBondContact O-CG2 3.27Å; A325-T329 PolarHBondContact O-N 2.76Å; A325-T329 PolarHBondContact O-OG1 2.72Å
326V83.1Confident76.8Confident82 Ų8299.2 Ų99.250%0.49756%0.563SS.*Hα-helixtrans-65.6-44.8174.9171.90000110.9V322 I323 T329 V330V322-V326 HydrophobicContact CG1-CG2 4.5Å; V322-V326 WeakPolarHBondContact O-CG2 3.4Å; V322-V326 PolarHBondContact O-N 2.66Å; I323-V326 PolarHBondContact O-N 3.22Å; V326-T329 WeakPolarHBondContact CA-OG1 3.42Å; V326-T329 PolarHBondContact O-N 2.87Å; V326-T329 PolarHBondContact O-OG1 2.9Å; V326-V330 HydrophobicContact CG1-CG2 4.45Å; V326-V330 WeakPolarHBondContact O-CB 3.36Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.49Å; V326-V330 PolarHBondContact O-N 2.95Å
327V81.4Confident75.2Confident76 Ų76101 Ų10146%0.46157%0.573SS.*Hα-helixtrans-62.9-45.3176.71720000111I323 G324 V330 M331I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 WeakPolarHBondContact O-CG2 3.44Å; I323-V327 PolarHBondContact O-N 3.34Å; G324-V327 PolarHBondContact O-N 3.44Å; V327-V330 PolarHBondContact O-N 2.7Å; V327-M331 HydrophobicContact CG1-CG 4.41Å; V327-M331 HydrophobicContact CG1-SD 4.06Å; V327-M331 WeakPolarHBondContact O-CB 3.12Å; V327-M331 WeakPolarHBondContact O-CG 3.1Å; V327-M331 PolarHBondContact O-N 3.41Å
328A77Confident73.2Confident53 Ų53100.2 Ų100.244%0.43858%0.584SS.*Hα-helixtrans-60.6-46.6177.500000112.3G324 M331 C332G324-A328 WeakPolarHBondContact O-CB 3.42Å; G324-A328 PolarHBondContact O-N 2.87Å; A328-M331 PolarHBondContact O-N 3.25Å; A328-C332 WeakPolarHBondContact O-CB 3.35Å; A328-C332 PolarHBondContact O-N 3.25Å; A328-C332 PolarHBondContact O-SG 2.78Å; A328-C332 VanDerWaalsContact O-SG 3.41Å
329T75.1Confident71.1Confident84 Ų8498.2 Ų98.252%0.51559%0.589SS.*Hα-helixtrans-66.5-37.6178.549.20000112.8A325 V326 R333A325-T329 WeakPolarHBondContact O-CB 3.13Å; A325-T329 WeakPolarHBondContact O-CG2 3.27Å; A325-T329 PolarHBondContact O-N 2.76Å; A325-T329 PolarHBondContact O-OG1 2.72Å; V326-T329 WeakPolarHBondContact CA-OG1 3.42Å; V326-T329 PolarHBondContact O-N 2.87Å; V326-T329 PolarHBondContact O-OG1 2.9Å; T329-R333 WeakPolarHBondContact O-CB 3.31Å; T329-R333 PolarHBondContact O-N 3.33Å
330V74.9Confident68.7Low80 Ų80106.3 Ų106.349%0.48562%0.615SS.*Hα-helixtrans-65.5-42.3172.9170.10000111.5V326 V327 R333 R334V326-V330 HydrophobicContact CG1-CG2 4.45Å; V326-V330 WeakPolarHBondContact O-CB 3.36Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.49Å; V326-V330 PolarHBondContact O-N 2.95Å; V327-V330 PolarHBondContact O-N 2.7Å; V330-R333 PolarHBondContact O-N 3.4Å; V330-R334 PolarHBondContact O-N 3.06Å
331M73Confident66.3Low130 Ų130105 Ų10564%0.6462%0.624SS**Hα-helixtrans-65.5-42.4176.5-74.6-174.971.200112.3V327 A328 R334 K335V327-M331 HydrophobicContact CG1-CG 4.41Å; V327-M331 HydrophobicContact CG1-SD 4.06Å; V327-M331 WeakPolarHBondContact O-CB 3.12Å; V327-M331 WeakPolarHBondContact O-CG 3.1Å; V327-M331 PolarHBondContact O-N 3.41Å; A328-M331 PolarHBondContact O-N 3.25Å; M331-R334 PolarHBondContact O-N 2.77Å; M331-K335 WeakPolarHBondContact O-CB 3.49Å; M331-K335 PolarHBondContact O-N 3.47Å
332C66.9Low63.7Low90 Ų90104.6 Ų104.661%0.60864%0.637SS**Hα-helixtrans-59.4-45.7172.5-75.30000111.6A328 K335 S336A328-C332 WeakPolarHBondContact O-CB 3.35Å; A328-C332 PolarHBondContact O-N 3.25Å; A328-C332 PolarHBondContact O-SG 2.78Å; A328-C332 VanDerWaalsContact O-SG 3.41Å; C332-K335 PolarHBondContact O-N 2.74Å; C332-S336 PolarHBondContact O-N 2.69Å; C332-S336 VanDerWaalsContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 3.2Å
333R64.8Low61.2Low196 Ų196105.9 Ų105.974%0.7465%0.65SS**Hα-helixtrans-61.3-45.2176.1-83.5-177.5156.4170.4-5.5112.6T329 V330 K335 S336 S337T329-R333 WeakPolarHBondContact O-CB 3.31Å; T329-R333 PolarHBondContact O-N 3.33Å; V330-R333 PolarHBondContact O-N 3.4Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.27Å; R333-S336 WeakPolarHBondContact CA-OG 3.21Å; R333-S336 PolarHBondContact O-N 2.9Å; R333-S336 VanDerWaalsContact O-N 3.12Å; R333-S336 PolarHBondContact O-OG 3.37Å; R333-S337 PolarHBondContact O-N 2.93Å
334R58Low58.9Low208 Ų208110.7 Ų110.779%0.78566%0.663SS**Hα-helixtrans-61-34.9174.9-106.7-176.9168.2-178.9-3.4113V330 M331 S336 S337V330-R334 PolarHBondContact O-N 3.06Å; M331-R334 PolarHBondContact O-N 2.77Å; R334-S336 VanDerWaalsContact C-N 3.31Å; R334-S337 PolarHBondContact O-OG 3.12Å
335K53.3Low56.5Low194 Ų194114.9 Ų114.984%0.84369%0.686SS**Hα-helixtrans-73.5-22.1177.1-160.7170.7-177.4178.80113M331 C332 R333M331-K335 WeakPolarHBondContact O-CB 3.49Å; M331-K335 PolarHBondContact O-N 3.47Å; C332-K335 PolarHBondContact O-N 2.74Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.27Å
336S52.1Low54.4Low97 Ų97121 Ų12168%0.67871%0.705SS**Hα-helixtrans-89.4-14.9174.757.50000115.4C332 R333 R334C332-S336 PolarHBondContact O-N 2.69Å; C332-S336 VanDerWaalsContact O-N 3.13Å; C332-S336 PolarHBondContact O-OG 3.2Å; R333-S336 WeakPolarHBondContact CA-OG 3.21Å; R333-S336 PolarHBondContact O-N 2.9Å; R333-S336 VanDerWaalsContact O-N 3.12Å; R333-S336 PolarHBondContact O-OG 3.37Å; R334-S336 VanDerWaalsContact C-N 3.31Å
337S50Low52Low92 Ų92121.9 Ų121.964%0.64372%0.721SS**  trans-10234.5-173.272.70000114.2R333 R334R333-S337 PolarHBondContact O-N 2.93Å; R334-S337 PolarHBondContact O-OG 3.12Å
338G44.6Very low49.9Very low78 Ų78123.1 Ų123.180%0.80474%0.739SS**  trans-116.459.8-17400000114.4
339G41.8Very low48Very low67 Ų67125.6 Ų125.669%0.69175%0.753SS**  trans177.9130.6172.200000116.5
340K35.7Very low46.2Very low219 Ų219126.1 Ų126.195%0.95276%0.761SS**  trans70.6139.6177.7-58.8172.6175.1175.30116.1
341G36.4Very low44.4Very low79 Ų79129.7 Ų129.781%0.81478%0.777SS**  cis140.2103.2-1300000115.2
342G33Very low43Very low83 Ų83129.8 Ų129.886%0.85679%0.79SS**  trans71.3163.3169.700000116.5
343S33Very low41.7Very low111 Ų111130 Ų13078%0.77680%0.799SS**  cis-163.4153.4-13.9-172.90000110.1
344Y36.1Very low40.6Very low210 Ų210130.4 Ų130.482%0.82481%0.809SS**  trans0.5138.6167.5-79-94.2000123
345S34.1Very low39.5Very low128 Ų128123.7 Ų123.790%0.89580%0.804SS**  trans-151.2149131.757.80000111.5
346Q38.1Very low38.9Very low183 Ų183119.5 Ų119.586%0.85580%0.799SS**  trans-131.8139-170.5175.2-172.93.300110.4
347A32.8Very low38.4Very low101 Ų101122 Ų12284%0.83581%0.805SS**  trans-158.9143.3158.300000111.1
348A36.9Very low37.9Very low102 Ų102123.3 Ų123.384%0.84381%0.809SS**  trans-102.1175.1171.500000109.7
349S36.4Very low37.8Very low105 Ų105124.4 Ų124.473%0.73480%0.804SS**  cis-146.9-157.91259.50000109.5
350S37.8Very low37.9Very low96 Ų96128.9 Ų128.967%0.67181%0.811SS**  cis-164.7158.23.415.70000110.6
351D38.3Very low38.1Very low155 Ų155124.9 Ų124.983%0.82981%0.806SS**  trans26.6122.5153.3-58.6-15.9000122.6
352S43.1Very low38.5Very low131 Ų131129 Ų12992%0.91683%0.832SS**  -155.6151.3113.5-19.70000110.3
353A39.1Very low38.7Very low96 Ų96131.3 Ų131.379%0.79383%0.831SS**  trans-112.3153.6-174.400000113.1
354Q41.9Very low39Very low204 Ų204132.4 Ų132.495%0.95383%0.834SS**  trans177.5146.2137.8-104.2173.5-15.400114.2
355G35.8Very low39.2Very low66 Ų66128.1 Ų128.168%0.6883%0.834SS**  trans80.2101.3163.300000115.4
356S40.3Very low39.5Very low106 Ų106128.1 Ų128.174%0.74183%0.831SS**  65.1104.159.7-52.70000114
357D41.1Very low39.6Very low150 Ų150124.6 Ų124.680%0.80283%0.829SS**  62.5144.1118.7-61.8-21.7000119.6
358V39.2Very low40.1Very low120 Ų120126.2 Ų126.273%0.72783%0.829SS**  cis-169.4163.41.2117.10000110.2
359S43.3Very low40.3Very low100 Ų100127.9 Ų127.970%0.69983%0.828SS**  trans64112.7157.6-76.40000123.9
360L42.6Very low40.6Very low161 Ų161129.7 Ų129.784%0.84384%0.835SS**  8.7126.1107.7-82.9152.2000120
361T39.9Very low40.8Very low136 Ų136132.5 Ų132.583%0.83485%0.849SS**  -158129.4122.620.10000107.3
362A45.2Very low41Very low165 Ų165130.5 Ų130.5100%1.36485%0.85SS**  71083.800000112.6

Retrieved 362 of 362 residues in 545.5 ms (Link to these results)

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